NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25194 | 2k70 | 15897 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 11.350 -3.032 11.951 2 H2 GLY 1 2H GLY 1 12.472 -4.148 11.623 3 H3 GLY 1 3H GLY 1 12.792 -2.973 12.743 4 HA2 GLY 1 HA3 GLY 1 10.667 -4.984 13.072 5 HA3 GLY 1 HA2 GLY 1 12.296 -5.163 13.763 6 H SER 2 H SER 2 9.344 -4.470 14.718 7 HA SER 2 HA SER 2 8.926 -3.226 16.895 8 HB2 SER 2 HB1 SER 2 10.622 -1.475 16.645 9 HB3 SER 2 HB2 SER 2 9.888 -0.962 15.107 10 HG SER 2 HG SER 2 8.902 -0.661 17.743 11 H PHE 3 H PHE 3 7.686 -0.845 14.871 12 HA PHE 3 HA PHE 3 6.134 -2.668 13.122 13 HB2 PHE 3 HB1 PHE 3 4.172 -1.158 13.345 14 HB3 PHE 3 HB2 PHE 3 4.514 -2.156 14.768 15 HD1 PHE 3 HD1 PHE 3 5.415 -1.122 16.846 16 HD2 PHE 3 HD2 PHE 3 4.219 1.259 13.460 17 HE1 PHE 3 HE1 PHE 3 5.405 0.908 18.275 18 HE2 PHE 3 HE2 PHE 3 4.201 3.285 14.892 19 HZ PHE 3 HZ PHE 3 4.809 3.117 17.299 20 H THR 4 H THR 4 7.200 -0.452 10.612 21 HA THR 4 HA THR 4 7.696 -2.331 9.655 22 HB THR 4 HB THR 4 8.900 -2.775 11.973 23 HG1 THR 4 HG1 THR 4 9.911 -4.381 10.672 24 HG21 THR 4 HG21 THR 4 7.718 -5.472 11.408 25 HG22 THR 4 HG22 THR 4 6.932 -4.462 12.598 26 HG23 THR 4 HG23 THR 4 8.623 -4.935 12.822 27 H GLU 5 H GLU 5 4.871 -1.828 10.918 28 HA GLU 5 HA GLU 5 3.654 -4.256 9.678 29 HB2 GLU 5 HB1 GLU 5 2.725 -2.682 12.102 30 HB3 GLU 5 HB2 GLU 5 1.886 -4.050 11.315 31 HG2 GLU 5 HG1 GLU 5 3.995 -5.417 11.784 32 HG3 GLU 5 HG2 GLU 5 4.470 -4.109 12.882 33 H GLY 6 H GLY 6 1.159 -3.767 9.535 34 HA2 GLY 6 HA3 GLY 6 0.423 -1.195 8.420 35 HA3 GLY 6 HA2 GLY 6 0.562 -2.498 7.217 36 H TRP 7 H TRP 7 -1.777 -1.631 7.142 37 HA TRP 7 HA TRP 7 -3.404 -3.778 8.231 38 HB2 TRP 7 HB1 TRP 7 -5.172 -2.426 9.116 39 HB3 TRP 7 HB2 TRP 7 -3.674 -2.076 9.981 40 HD1 TRP 7 HD TRP 7 -6.395 -0.480 7.959 41 HE1 TRP 7 HE1 TRP 7 -6.032 2.049 7.758 42 HE3 TRP 7 3HE TRP 7 -1.633 -0.208 9.813 43 HZ2 TRP 7 HZ2 TRP 7 -3.905 3.938 8.254 44 HZ3 TRP 7 HZ3 TRP 7 -0.431 1.959 9.881 45 HH2 TRP 7 HH TRP 7 -1.556 4.036 9.118 46 H VAL 8 H VAL 8 -5.212 -4.218 6.941 47 HA VAL 8 HA VAL 8 -5.305 -2.776 4.307 48 HB VAL 8 HB VAL 8 -6.465 -5.446 5.130 49 HG11 VAL 8 HG11 VAL 8 -7.119 -5.658 2.717 50 HG12 VAL 8 HG12 VAL 8 -8.037 -4.402 3.551 51 HG13 VAL 8 HG13 VAL 8 -6.695 -3.950 2.473 52 HG21 VAL 8 HG21 VAL 8 -4.203 -4.592 3.279 53 HG22 VAL 8 HG22 VAL 8 -4.092 -5.580 4.749 54 HG23 VAL 8 HG23 VAL 8 -4.877 -6.219 3.307 55 H ARG 9 H ARG 9 -7.151 -1.673 3.655 56 HA ARG 9 HA ARG 9 -8.698 -0.640 5.902 57 HB2 ARG 9 HB1 ARG 9 -7.628 0.772 4.140 58 HB3 ARG 9 HB2 ARG 9 -8.816 0.162 2.974 59 HG2 ARG 9 HG1 ARG 9 -10.651 1.072 4.282 60 HG3 ARG 9 HG2 ARG 9 -9.537 1.516 5.602 61 HD2 ARG 9 HD1 ARG 9 -8.344 3.013 3.933 62 HD3 ARG 9 HD2 ARG 9 -9.665 2.726 2.805 63 HE ARG 9 HE ARG 9 -9.757 4.107 5.453 64 HH11 ARG 9 HH12 ARG 9 -11.656 3.168 2.624 65 HH12 ARG 9 HH11 ARG 9 -13.045 4.076 3.136 66 HH21 ARG 9 HH22 ARG 9 -11.446 5.109 6.114 67 HH22 ARG 9 HH21 ARG 9 -12.943 5.239 5.200 68 H PHE 10 H PHE 10 -10.670 -1.063 6.438 69 HA PHE 10 HA PHE 10 -12.476 -2.969 5.674 70 HB2 PHE 10 HB1 PHE 10 -12.691 -1.586 7.639 71 HB3 PHE 10 HB2 PHE 10 -12.831 -0.116 6.650 72 HD1 PHE 10 HD2 PHE 10 -14.960 0.163 5.184 73 HD2 PHE 10 HD1 PHE 10 -14.632 -2.543 8.519 74 HE1 PHE 10 HE2 PHE 10 -17.410 -0.036 5.252 75 HE2 PHE 10 HE1 PHE 10 -17.109 -2.742 8.590 76 HZ PHE 10 HZ PHE 10 -18.499 -1.506 6.939 77 H SER 11 H SER 11 -13.879 -3.351 4.126 78 HA SER 11 HA SER 11 -15.522 -1.429 2.921 79 HB2 SER 11 HB1 SER 11 -13.545 -0.982 1.493 80 HB3 SER 11 HB2 SER 11 -13.584 -2.681 0.957 81 HG SER 11 HG SER 11 -14.659 -1.373 -0.474 82 HA PRO 12 HA PRO 12 -17.448 -5.520 2.076 83 HB2 PRO 12 HB1 PRO 12 -20.036 -4.825 2.237 84 HB3 PRO 12 HB2 PRO 12 -19.027 -4.853 3.715 85 HG2 PRO 12 HG1 PRO 12 -19.719 -2.456 1.985 86 HG3 PRO 12 HG2 PRO 12 -19.871 -2.605 3.773 87 HD2 PRO 12 HD1 PRO 12 -17.679 -1.478 2.501 88 HD3 PRO 12 HD2 PRO 12 -17.569 -2.332 4.069 89 H GLY 13 H GLY 13 -16.956 -2.764 0.249 90 HA2 GLY 13 HA3 GLY 13 -18.853 -3.338 -1.936 91 HA3 GLY 13 HA2 GLY 13 -17.787 -1.923 -1.774 92 HA PRO 14 HA PRO 14 -16.065 -4.952 -4.860 93 HB2 PRO 14 HB1 PRO 14 -15.516 -3.224 -6.914 94 HB3 PRO 14 HB2 PRO 14 -17.143 -3.903 -6.613 95 HG2 PRO 14 HG1 PRO 14 -16.062 -1.209 -5.737 96 HG3 PRO 14 HG2 PRO 14 -17.624 -1.561 -6.558 97 HD2 PRO 14 HD1 PRO 14 -17.463 -1.249 -3.854 98 HD3 PRO 14 HD2 PRO 14 -18.552 -2.465 -4.577 99 H ASN 15 H ASN 15 -14.675 -1.861 -3.650 100 HA ASN 15 HA ASN 15 -11.980 -2.973 -3.928 101 HB2 ASN 15 HB1 ASN 15 -11.377 -0.634 -4.607 102 HB3 ASN 15 HB2 ASN 15 -12.321 -1.546 -5.791 103 HD21 ASN 15 HD21 ASN 15 -13.198 0.287 -6.881 104 HD22 ASN 15 HD22 ASN 15 -14.287 1.393 -6.062 105 H ALA 16 H ALA 16 -10.403 -1.820 -2.794 106 HA ALA 16 HA ALA 16 -10.927 -0.545 -0.210 107 HB1 ALA 16 HB1 ALA 16 -9.721 -3.343 -0.522 108 HB2 ALA 16 HB2 ALA 16 -9.797 -2.423 0.993 109 HB3 ALA 16 HB3 ALA 16 -11.288 -2.964 0.216 110 H ALA 17 H ALA 17 -8.455 -0.793 0.872 111 HA ALA 17 HA ALA 17 -6.329 -0.083 -1.023 112 HB1 ALA 17 HB1 ALA 17 -7.547 2.075 -0.732 113 HB2 ALA 17 HB2 ALA 17 -7.372 1.929 1.032 114 HB3 ALA 17 HB3 ALA 17 -5.938 2.127 0.013 115 H ALA 18 H ALA 18 -4.207 -0.068 0.149 116 HA ALA 18 HA ALA 18 -4.306 -1.114 2.945 117 HB1 ALA 18 HB1 ALA 18 -2.726 -2.888 2.341 118 HB2 ALA 18 HB2 ALA 18 -4.238 -3.045 1.424 119 HB3 ALA 18 HB3 ALA 18 -2.779 -2.394 0.639 120 H TYR 19 H TYR 19 -2.885 -0.423 4.269 121 HA TYR 19 HA TYR 19 -0.617 1.320 3.402 122 HB2 TYR 19 HB1 TYR 19 -2.198 1.317 6.002 123 HB3 TYR 19 HB2 TYR 19 -1.017 2.523 5.493 124 HD1 TYR 19 HD1 TYR 19 -1.611 3.712 3.155 125 HD2 TYR 19 HD2 TYR 19 -4.462 1.757 5.711 126 HE1 TYR 19 HE1 TYR 19 -3.464 5.045 2.124 127 HE2 TYR 19 HE2 TYR 19 -6.287 3.142 4.774 128 HH TYR 19 HH TYR 19 -6.806 4.875 3.306 129 H LEU 20 H LEU 20 1.438 0.933 4.435 130 HA LEU 20 HA LEU 20 1.830 -0.964 6.545 131 HB2 LEU 20 HB1 LEU 20 2.802 -2.840 5.340 132 HB3 LEU 20 HB2 LEU 20 1.115 -2.608 4.858 133 HG LEU 20 HG LEU 20 2.394 -1.139 2.928 134 HD11 LEU 20 HD11 LEU 20 4.258 -3.488 3.466 135 HD12 LEU 20 HD12 LEU 20 4.672 -1.791 3.770 136 HD13 LEU 20 HD13 LEU 20 4.352 -2.323 2.125 137 HD21 LEU 20 HD21 LEU 20 1.885 -4.125 2.803 138 HD22 LEU 20 HD22 LEU 20 1.994 -2.996 1.429 139 HD23 LEU 20 HD23 LEU 20 0.668 -2.842 2.586 140 H THR 21 H THR 21 3.973 -1.383 7.125 141 HA THR 21 HA THR 21 5.771 0.826 6.396 142 HB THR 21 HB THR 21 5.883 -1.283 8.580 143 HG1 THR 21 HG1 THR 21 4.190 0.027 8.889 144 HG21 THR 21 HG21 THR 21 8.113 -0.485 8.498 145 HG22 THR 21 HG22 THR 21 7.680 1.042 7.747 146 HG23 THR 21 HG23 THR 21 7.376 0.811 9.465 147 H LEU 22 H LEU 22 7.085 0.476 4.611 148 HA LEU 22 HA LEU 22 8.269 -2.194 4.229 149 HB2 LEU 22 HB1 LEU 22 7.382 -0.358 2.469 150 HB3 LEU 22 HB2 LEU 22 9.063 0.175 2.572 151 HG LEU 22 HG LEU 22 8.874 -1.257 0.699 152 HD11 LEU 22 HD11 LEU 22 10.013 -3.178 2.766 153 HD12 LEU 22 HD12 LEU 22 10.885 -1.725 2.239 154 HD13 LEU 22 HD13 LEU 22 10.467 -2.971 1.066 155 HD21 LEU 22 HD21 LEU 22 7.850 -3.454 0.726 156 HD22 LEU 22 HD22 LEU 22 6.711 -2.282 1.385 157 HD23 LEU 22 HD23 LEU 22 7.584 -3.377 2.475 158 H GLU 23 H GLU 23 10.262 -2.739 4.836 159 HA GLU 23 HA GLU 23 12.239 -0.693 5.695 160 HB2 GLU 23 HB1 GLU 23 11.723 -3.267 7.219 161 HB3 GLU 23 HB2 GLU 23 12.852 -1.955 7.639 162 HG2 GLU 23 HG1 GLU 23 10.813 -0.444 7.852 163 HG3 GLU 23 HG2 GLU 23 9.809 -1.905 7.718 164 H ASN 24 H ASN 24 14.273 -1.105 4.978 165 HA ASN 24 HA ASN 24 14.737 -3.529 3.266 166 HB2 ASN 24 HB1 ASN 24 14.783 -1.258 2.267 167 HB3 ASN 24 HB2 ASN 24 16.129 -0.837 3.337 168 HD21 ASN 24 HD21 ASN 24 16.664 -0.570 0.720 169 HD22 ASN 24 HD22 ASN 24 17.680 -1.912 0.165 170 HA PRO 25 HA PRO 25 17.730 -4.385 6.618 171 HB2 PRO 25 HB1 PRO 25 17.879 -7.094 6.351 172 HB3 PRO 25 HB2 PRO 25 16.432 -6.311 7.054 173 HG2 PRO 25 HG1 PRO 25 16.845 -7.176 4.171 174 HG3 PRO 25 HG2 PRO 25 15.467 -7.592 5.245 175 HD2 PRO 25 HD1 PRO 25 15.357 -5.514 3.477 176 HD3 PRO 25 HD2 PRO 25 14.588 -5.403 5.085 177 H GLY 26 H GLY 26 18.047 -4.634 3.179 178 HA2 GLY 26 HA3 GLY 26 20.638 -5.964 3.192 179 HA3 GLY 26 HA2 GLY 26 19.706 -5.381 1.794 180 H ASP 27 H ASP 27 22.234 -5.015 1.713 181 HA ASP 27 HA ASP 27 23.139 -2.366 2.577 182 HB2 ASP 27 HB1 ASP 27 24.351 -4.830 1.247 183 HB3 ASP 27 HB2 ASP 27 25.246 -3.377 1.696 184 H LEU 28 H LEU 28 21.430 -3.620 0.117 185 HA LEU 28 HA LEU 28 22.183 -1.575 -1.877 186 HB2 LEU 28 HB1 LEU 28 21.620 -3.133 -3.657 187 HB3 LEU 28 HB2 LEU 28 22.921 -3.736 -2.576 188 HG LEU 28 HG LEU 28 21.056 -5.141 -1.462 189 HD11 LEU 28 HD11 LEU 28 19.687 -4.511 -4.123 190 HD12 LEU 28 HD12 LEU 28 19.035 -4.197 -2.503 191 HD13 LEU 28 HD13 LEU 28 19.240 -5.854 -3.049 192 HD21 LEU 28 HD21 LEU 28 21.378 -6.940 -3.129 193 HD22 LEU 28 HD22 LEU 28 22.886 -6.067 -2.833 194 HD23 LEU 28 HD23 LEU 28 21.958 -5.747 -4.314 195 HA PRO 29 HA PRO 29 18.091 -0.221 -1.302 196 HB2 PRO 29 HB1 PRO 29 17.359 0.966 -3.638 197 HB3 PRO 29 HB2 PRO 29 18.673 1.594 -2.599 198 HG2 PRO 29 HG1 PRO 29 18.904 -0.114 -5.077 199 HG3 PRO 29 HG2 PRO 29 19.883 1.323 -4.618 200 HD2 PRO 29 HD1 PRO 29 20.676 -1.310 -4.232 201 HD3 PRO 29 HD2 PRO 29 21.241 0.014 -3.194 202 H LEU 30 H LEU 30 15.956 -0.795 -1.412 203 HA LEU 30 HA LEU 30 15.188 -2.943 -3.331 204 HB2 LEU 30 HB1 LEU 30 13.960 -2.274 -0.633 205 HB3 LEU 30 HB2 LEU 30 13.240 -3.394 -1.792 206 HG LEU 30 HG LEU 30 16.019 -3.640 -0.720 207 HD11 LEU 30 HD11 LEU 30 13.561 -5.152 0.271 208 HD12 LEU 30 HD12 LEU 30 14.264 -3.770 1.115 209 HD13 LEU 30 HD13 LEU 30 15.198 -5.267 0.941 210 HD21 LEU 30 HD21 LEU 30 15.810 -6.056 -1.263 211 HD22 LEU 30 HD22 LEU 30 15.906 -4.961 -2.655 212 HD23 LEU 30 HD23 LEU 30 14.338 -5.649 -2.177 213 H ARG 31 H ARG 31 13.310 -2.865 -4.203 214 HA ARG 31 HA ARG 31 11.965 -0.222 -4.486 215 HB2 ARG 31 HB1 ARG 31 13.934 -0.318 -6.071 216 HB3 ARG 31 HB2 ARG 31 13.115 -1.662 -6.896 217 HG2 ARG 31 HG1 ARG 31 11.254 -0.222 -7.501 218 HG3 ARG 31 HG2 ARG 31 11.894 1.104 -6.504 219 HD2 ARG 31 HD1 ARG 31 13.330 -0.030 -8.929 220 HD3 ARG 31 HD2 ARG 31 12.259 1.392 -8.967 221 HE ARG 31 HE ARG 31 14.165 1.762 -6.897 222 HH11 ARG 31 HH12 ARG 31 14.130 1.840 -10.428 223 HH12 ARG 31 HH11 ARG 31 15.602 2.776 -10.495 224 HH21 ARG 31 HH22 ARG 31 15.928 2.987 -7.016 225 HH22 ARG 31 HH21 ARG 31 16.587 3.497 -8.544 226 H LEU 32 H LEU 32 9.969 -0.474 -4.257 227 HA LEU 32 HA LEU 32 8.620 -3.041 -4.766 228 HB2 LEU 32 HB1 LEU 32 8.466 -1.930 -2.617 229 HB3 LEU 32 HB2 LEU 32 7.930 -0.417 -3.377 230 HG LEU 32 HG LEU 32 5.779 -1.311 -3.869 231 HD11 LEU 32 HD11 LEU 32 6.993 -3.991 -3.111 232 HD12 LEU 32 HD12 LEU 32 5.252 -3.749 -3.204 233 HD13 LEU 32 HD13 LEU 32 6.260 -3.529 -4.644 234 HD21 LEU 32 HD21 LEU 32 6.636 -2.291 -1.109 235 HD22 LEU 32 HD22 LEU 32 6.340 -0.592 -1.525 236 HD23 LEU 32 HD23 LEU 32 5.012 -1.757 -1.586 237 H VAL 33 H VAL 33 7.916 -3.330 -6.788 238 HA VAL 33 HA VAL 33 7.004 -0.954 -8.394 239 HB VAL 33 HB VAL 33 7.565 -2.220 -10.391 240 HG11 VAL 33 HG11 VAL 33 9.420 -0.949 -9.329 241 HG12 VAL 33 HG12 VAL 33 9.895 -2.398 -8.431 242 HG13 VAL 33 HG13 VAL 33 9.996 -2.369 -10.199 243 HG21 VAL 33 HG21 VAL 33 8.535 -4.501 -8.609 244 HG22 VAL 33 HG22 VAL 33 7.076 -4.549 -9.627 245 HG23 VAL 33 HG23 VAL 33 8.668 -4.401 -10.370 246 H GLY 34 H GLY 34 5.872 -3.839 -6.908 247 HA2 GLY 34 HA3 GLY 34 3.203 -3.608 -8.050 248 HA3 GLY 34 HA2 GLY 34 4.074 -5.094 -8.494 249 H ALA 35 H ALA 35 1.915 -5.730 -7.277 250 HA ALA 35 HA ALA 35 2.818 -6.885 -4.792 251 HB1 ALA 35 HB1 ALA 35 0.669 -4.735 -4.736 252 HB2 ALA 35 HB2 ALA 35 0.837 -5.952 -3.448 253 HB3 ALA 35 HB3 ALA 35 2.155 -4.846 -3.787 254 H ARG 36 H ARG 36 0.868 -8.008 -3.750 255 HA ARG 36 HA ARG 36 -1.169 -9.146 -5.484 256 HB2 ARG 36 HB1 ARG 36 1.409 -10.505 -5.038 257 HB3 ARG 36 HB2 ARG 36 0.029 -11.478 -4.482 258 HG2 ARG 36 HG1 ARG 36 -0.999 -11.292 -6.710 259 HG3 ARG 36 HG2 ARG 36 0.415 -10.354 -7.260 260 HD2 ARG 36 HD1 ARG 36 1.818 -12.172 -7.262 261 HD3 ARG 36 HD2 ARG 36 0.966 -12.992 -5.949 262 HE ARG 36 HE ARG 36 0.198 -12.936 -8.834 263 HH11 ARG 36 HH12 ARG 36 -0.392 -14.301 -5.623 264 HH12 ARG 36 HH11 ARG 36 -1.550 -15.450 -6.217 265 HH21 ARG 36 HH22 ARG 36 -1.227 -14.517 -9.564 266 HH22 ARG 36 HH21 ARG 36 -1.943 -15.628 -8.436 267 H THR 37 H THR 37 -2.532 -10.664 -4.146 268 HA THR 37 HA THR 37 -2.365 -10.839 -1.300 269 HB THR 37 HB THR 37 -2.748 -8.502 -1.220 270 HG1 THR 37 HG1 THR 37 -3.942 -9.357 0.247 271 HG21 THR 37 HG21 THR 37 -3.621 -7.974 -3.461 272 HG22 THR 37 HG22 THR 37 -4.760 -7.427 -2.228 273 HG23 THR 37 HG23 THR 37 -5.095 -8.914 -3.130 274 HA PRO 38 HA PRO 38 -5.544 -13.714 -2.601 275 HB2 PRO 38 HB1 PRO 38 -6.516 -14.636 -0.243 276 HB3 PRO 38 HB2 PRO 38 -4.832 -14.930 -0.796 277 HG2 PRO 38 HG1 PRO 38 -5.782 -12.831 1.148 278 HG3 PRO 38 HG2 PRO 38 -4.412 -13.983 1.340 279 HD2 PRO 38 HD1 PRO 38 -4.109 -11.402 0.430 280 HD3 PRO 38 HD2 PRO 38 -3.051 -12.717 -0.132 281 H VAL 39 H VAL 39 -6.264 -10.781 -1.056 282 HA VAL 39 HA VAL 39 -9.198 -11.108 -1.594 283 HB VAL 39 HB VAL 39 -9.677 -9.378 0.051 284 HG11 VAL 39 HG11 VAL 39 -8.061 -11.688 1.200 285 HG12 VAL 39 HG12 VAL 39 -9.309 -10.738 2.025 286 HG13 VAL 39 HG13 VAL 39 -9.749 -11.767 0.650 287 HG21 VAL 39 HG21 VAL 39 -6.720 -9.597 0.759 288 HG22 VAL 39 HG22 VAL 39 -7.473 -8.169 0.032 289 HG23 VAL 39 HG23 VAL 39 -7.936 -8.675 1.658 290 H ALA 40 H ALA 40 -7.513 -10.484 -3.775 291 HA ALA 40 HA ALA 40 -9.246 -8.346 -4.713 292 HB1 ALA 40 HB1 ALA 40 -7.639 -6.733 -5.327 293 HB2 ALA 40 HB2 ALA 40 -7.207 -7.131 -3.666 294 HB3 ALA 40 HB3 ALA 40 -6.264 -7.811 -5.010 295 H GLU 41 H GLU 41 -9.079 -8.026 -7.012 296 HA GLU 41 HA GLU 41 -8.027 -10.297 -8.650 297 HB2 GLU 41 HB1 GLU 41 -10.500 -9.349 -8.634 298 HB3 GLU 41 HB2 GLU 41 -9.827 -8.066 -9.649 299 HG2 GLU 41 HG1 GLU 41 -10.522 -9.534 -11.277 300 HG3 GLU 41 HG2 GLU 41 -8.889 -10.159 -11.051 301 H ARG 42 H ARG 42 -8.165 -6.725 -8.450 302 HA ARG 42 HA ARG 42 -5.570 -6.464 -9.908 303 HB2 ARG 42 HB1 ARG 42 -7.870 -4.547 -9.471 304 HB3 ARG 42 HB2 ARG 42 -6.197 -3.943 -9.650 305 HG2 ARG 42 HG1 ARG 42 -6.109 -5.123 -11.877 306 HG3 ARG 42 HG2 ARG 42 -7.856 -5.406 -11.723 307 HD2 ARG 42 HD1 ARG 42 -8.240 -2.971 -11.484 308 HD3 ARG 42 HD2 ARG 42 -6.485 -2.678 -11.529 309 HE ARG 42 HE ARG 42 -7.499 -4.081 -13.866 310 HH11 ARG 42 HH12 ARG 42 -6.993 -0.817 -12.488 311 HH12 ARG 42 HH11 ARG 42 -6.889 -0.085 -14.040 312 HH21 ARG 42 HH22 ARG 42 -7.312 -3.034 -15.861 313 HH22 ARG 42 HH21 ARG 42 -7.087 -1.306 -15.914 314 H VAL 43 H VAL 43 -3.978 -5.838 -8.728 315 HA VAL 43 HA VAL 43 -4.515 -4.126 -6.367 316 HB VAL 43 HB VAL 43 -2.811 -6.042 -5.979 317 HG11 VAL 43 HG11 VAL 43 -0.494 -5.542 -6.564 318 HG12 VAL 43 HG12 VAL 43 -1.454 -5.742 -8.035 319 HG13 VAL 43 HG13 VAL 43 -0.960 -4.123 -7.477 320 HG21 VAL 43 HG21 VAL 43 -3.246 -4.123 -4.470 321 HG22 VAL 43 HG22 VAL 43 -1.571 -4.669 -4.431 322 HG23 VAL 43 HG23 VAL 43 -1.996 -3.190 -5.321 323 H GLU 44 H GLU 44 -3.627 -2.021 -6.539 324 HA GLU 44 HA GLU 44 -2.095 -1.250 -8.968 325 HB2 GLU 44 HB1 GLU 44 -4.507 0.214 -7.814 326 HB3 GLU 44 HB2 GLU 44 -3.322 0.960 -8.919 327 HG2 GLU 44 HG1 GLU 44 -3.904 -0.566 -10.686 328 HG3 GLU 44 HG2 GLU 44 -4.941 -1.512 -9.600 329 H LEU 45 H LEU 45 -0.590 0.405 -8.502 330 HA LEU 45 HA LEU 45 -0.099 0.881 -5.588 331 HB2 LEU 45 HB1 LEU 45 1.683 -0.313 -6.702 332 HB3 LEU 45 HB2 LEU 45 1.740 0.902 -8.006 333 HG LEU 45 HG LEU 45 2.526 2.593 -6.423 334 HD11 LEU 45 HD11 LEU 45 1.530 1.704 -4.285 335 HD12 LEU 45 HD12 LEU 45 3.247 2.094 -4.175 336 HD13 LEU 45 HD13 LEU 45 2.752 0.408 -4.325 337 HD21 LEU 45 HD21 LEU 45 4.111 1.145 -7.669 338 HD22 LEU 45 HD22 LEU 45 4.111 -0.008 -6.312 339 HD23 LEU 45 HD23 LEU 45 4.774 1.629 -6.095 340 H HIS 46 H HIS 46 -0.640 2.788 -4.816 341 HA HIS 46 HA HIS 46 -0.809 5.147 -6.641 342 HB2 HIS 46 HB1 HIS 46 -2.536 4.250 -4.309 343 HB3 HIS 46 HB2 HIS 46 -2.676 5.842 -5.074 344 HD2 HIS 46 HD2 HIS 46 -2.428 3.538 -7.934 345 HE1 HIS 46 HE1 HIS 46 -6.548 3.469 -6.883 346 HE2 HIS 46 HE2 HIS 46 -4.871 2.835 -8.712 347 H GLU 47 H GLU 47 -0.598 7.115 -5.855 348 HA GLU 47 HA GLU 47 0.784 7.623 -3.252 349 HB2 GLU 47 HB1 GLU 47 1.448 9.737 -4.128 350 HB3 GLU 47 HB2 GLU 47 1.846 8.468 -5.322 351 HG2 GLU 47 HG1 GLU 47 -0.082 9.055 -6.656 352 HG3 GLU 47 HG2 GLU 47 -0.603 10.265 -5.480 353 H THR 48 H THR 48 0.013 9.879 -2.347 354 HA THR 48 HA THR 48 -2.664 10.777 -2.972 355 HB THR 48 HB THR 48 -2.106 9.523 -0.265 356 HG1 THR 48 HG1 THR 48 -3.080 8.643 -2.367 357 HG21 THR 48 HG21 THR 48 -4.428 11.358 -0.979 358 HG22 THR 48 HG22 THR 48 -3.177 11.657 0.257 359 HG23 THR 48 HG23 THR 48 -4.315 10.324 0.460 360 H PHE 49 H PHE 49 -2.939 12.916 -2.202 361 HA PHE 49 HA PHE 49 -0.639 14.316 -1.010 362 HB2 PHE 49 HB1 PHE 49 -0.340 15.695 -3.071 363 HB3 PHE 49 HB2 PHE 49 0.179 14.019 -3.229 364 HD1 PHE 49 HD1 PHE 49 -2.518 16.460 -4.095 365 HD2 PHE 49 HD2 PHE 49 -0.848 12.570 -4.947 366 HE1 PHE 49 HE1 PHE 49 -3.954 16.267 -6.101 367 HE2 PHE 49 HE2 PHE 49 -2.212 12.418 -6.942 368 HZ PHE 49 HZ PHE 49 -3.768 14.279 -7.582 369 H MET 50 H MET 50 -0.910 16.658 -1.035 370 HA MET 50 HA MET 50 -3.732 17.584 -0.818 371 HB2 MET 50 HB1 MET 50 -2.321 17.941 1.160 372 HB3 MET 50 HB2 MET 50 -1.127 18.814 0.180 373 HG2 MET 50 HG1 MET 50 -2.712 20.555 -0.322 374 HG3 MET 50 HG2 MET 50 -4.042 19.614 0.385 375 HE1 MET 50 HE1 MET 50 -0.860 22.089 2.592 376 HE2 MET 50 HE2 MET 50 -0.344 20.572 1.834 377 HE3 MET 50 HE3 MET 50 -1.029 21.883 0.837 378 H ARG 51 H ARG 51 -4.445 19.314 -2.090 379 HA ARG 51 HA ARG 51 -2.679 20.388 -4.211 380 HB2 ARG 51 HB1 ARG 51 -4.165 18.134 -4.684 381 HB3 ARG 51 HB2 ARG 51 -5.314 19.401 -5.151 382 HG2 ARG 51 HG1 ARG 51 -2.618 19.802 -6.270 383 HG3 ARG 51 HG2 ARG 51 -3.372 18.265 -6.772 384 HD2 ARG 51 HD1 ARG 51 -5.355 19.462 -7.567 385 HD3 ARG 51 HD2 ARG 51 -4.640 20.997 -7.074 386 HE ARG 51 HE ARG 51 -3.378 19.158 -9.068 387 HH11 ARG 51 HH12 ARG 51 -4.449 22.491 -8.360 388 HH12 ARG 51 HH11 ARG 51 -3.648 23.108 -9.762 389 HH21 ARG 51 HH22 ARG 51 -2.366 20.043 -10.818 390 HH22 ARG 51 HH21 ARG 51 -2.523 21.732 -11.167 391 H GLU 52 H GLU 52 -3.462 22.340 -5.154 392 HA GLU 52 HA GLU 52 -5.704 23.674 -3.792 393 HB2 GLU 52 HB1 GLU 52 -3.280 24.482 -3.774 394 HB3 GLU 52 HB2 GLU 52 -3.421 24.709 -5.530 395 HG2 GLU 52 HG1 GLU 52 -3.920 26.819 -4.718 396 HG3 GLU 52 HG2 GLU 52 -5.536 26.150 -4.905 397 H VAL 53 H VAL 53 -7.499 24.268 -5.007 398 HA VAL 53 HA VAL 53 -7.133 24.790 -7.916 399 HB VAL 53 HB VAL 53 -9.514 23.230 -6.788 400 HG11 VAL 53 HG11 VAL 53 -8.806 24.083 -9.639 401 HG12 VAL 53 HG12 VAL 53 -10.152 23.007 -9.202 402 HG13 VAL 53 HG13 VAL 53 -10.161 24.682 -8.659 403 HG21 VAL 53 HG21 VAL 53 -8.752 21.348 -8.227 404 HG22 VAL 53 HG22 VAL 53 -7.601 21.699 -6.941 405 HG23 VAL 53 HG23 VAL 53 -7.266 22.243 -8.602 406 H GLU 54 H GLU 54 -8.020 26.818 -8.362 407 HA GLU 54 HA GLU 54 -8.856 28.900 -7.978 408 HB2 GLU 54 HB1 GLU 54 -10.891 27.450 -6.278 409 HB3 GLU 54 HB2 GLU 54 -11.059 29.114 -6.870 410 HG2 GLU 54 HG1 GLU 54 -11.426 28.377 -9.111 411 HG3 GLU 54 HG2 GLU 54 -11.006 26.701 -8.697 412 H GLY 55 H GLY 55 -6.897 27.800 -5.867 413 HA2 GLY 55 HA3 GLY 55 -5.908 28.665 -3.919 414 HA3 GLY 55 HA2 GLY 55 -7.149 29.938 -3.876 415 H LYS 56 H LYS 56 -8.327 26.755 -4.124 416 HA LYS 56 HA LYS 56 -9.158 26.607 -1.269 417 HB2 LYS 56 HB1 LYS 56 -10.725 26.010 -3.787 418 HB3 LYS 56 HB2 LYS 56 -11.139 25.270 -2.218 419 HG2 LYS 56 HG1 LYS 56 -11.595 27.400 -1.233 420 HG3 LYS 56 HG2 LYS 56 -10.949 28.287 -2.619 421 HD2 LYS 56 HD1 LYS 56 -13.191 26.348 -3.146 422 HD3 LYS 56 HD2 LYS 56 -13.597 27.843 -2.263 423 HE2 LYS 56 HE1 LYS 56 -12.993 29.229 -4.037 424 HE3 LYS 56 HE2 LYS 56 -11.949 27.992 -4.775 425 HZ1 LYS 56 HZ1 LYS 56 -13.813 26.874 -5.617 426 HZ2 LYS 56 HZ2 LYS 56 -14.023 28.360 -6.010 427 HZ3 LYS 56 HZ3 LYS 56 -14.914 27.774 -4.742 428 H LYS 57 H LYS 57 -8.176 25.084 -0.328 429 HA LYS 57 HA LYS 57 -6.626 23.145 -1.798 430 HB2 LYS 57 HB1 LYS 57 -5.508 22.798 0.394 431 HB3 LYS 57 HB2 LYS 57 -5.419 24.413 -0.328 432 HG2 LYS 57 HG1 LYS 57 -7.573 24.649 1.388 433 HG3 LYS 57 HG2 LYS 57 -6.495 23.514 2.253 434 HD2 LYS 57 HD1 LYS 57 -5.765 25.553 3.044 435 HD3 LYS 57 HD2 LYS 57 -4.615 25.283 1.751 436 HE2 LYS 57 HE1 LYS 57 -7.172 26.932 1.450 437 HE3 LYS 57 HE2 LYS 57 -5.628 27.636 1.983 438 HZ1 LYS 57 HZ1 LYS 57 -4.703 27.167 -0.205 439 HZ2 LYS 57 HZ2 LYS 57 -6.142 27.895 -0.440 440 HZ3 LYS 57 HZ3 LYS 57 -5.961 26.314 -0.670 441 H VAL 58 H VAL 58 -7.051 21.181 -2.128 442 HA VAL 58 HA VAL 58 -8.965 19.575 -0.508 443 HB VAL 58 HB VAL 58 -9.516 18.470 -2.648 444 HG11 VAL 58 HG11 VAL 58 -10.995 20.196 -3.532 445 HG12 VAL 58 HG12 VAL 58 -10.951 20.281 -1.761 446 HG13 VAL 58 HG13 VAL 58 -10.048 21.466 -2.732 447 HG21 VAL 58 HG21 VAL 58 -8.954 19.433 -4.815 448 HG22 VAL 58 HG22 VAL 58 -7.466 19.014 -3.958 449 HG23 VAL 58 HG23 VAL 58 -7.996 20.710 -4.050 450 H MET 59 H MET 59 -8.570 17.118 -1.388 451 HA MET 59 HA MET 59 -5.641 16.557 -1.515 452 HB2 MET 59 HB1 MET 59 -7.772 14.990 -0.030 453 HB3 MET 59 HB2 MET 59 -6.131 14.380 -0.381 454 HG2 MET 59 HG1 MET 59 -5.179 16.343 0.808 455 HG3 MET 59 HG2 MET 59 -6.811 16.853 1.259 456 HE1 MET 59 HE1 MET 59 -5.976 16.904 3.897 457 HE2 MET 59 HE2 MET 59 -4.975 15.578 4.525 458 HE3 MET 59 HE3 MET 59 -4.407 16.529 3.138 459 H GLY 60 H GLY 60 -5.130 14.515 -2.607 460 HA2 GLY 60 HA3 GLY 60 -7.073 13.496 -4.548 461 HA3 GLY 60 HA2 GLY 60 -5.723 14.428 -5.234 462 H MET 61 H MET 61 -5.836 12.011 -6.143 463 HA MET 61 HA MET 61 -3.666 10.406 -4.990 464 HB2 MET 61 HB1 MET 61 -5.427 9.562 -3.665 465 HB3 MET 61 HB2 MET 61 -6.600 9.676 -4.992 466 HG2 MET 61 HG1 MET 61 -5.332 7.814 -6.118 467 HG3 MET 61 HG2 MET 61 -4.421 7.605 -4.629 468 HE1 MET 61 HE1 MET 61 -7.897 6.978 -2.372 469 HE2 MET 61 HE2 MET 61 -6.395 7.933 -2.321 470 HE3 MET 61 HE3 MET 61 -7.810 8.539 -3.232 471 H ARG 62 H ARG 62 -2.770 9.042 -6.419 472 HA ARG 62 HA ARG 62 -3.741 8.853 -9.210 473 HB2 ARG 62 HB1 ARG 62 -1.240 10.256 -8.229 474 HB3 ARG 62 HB2 ARG 62 -1.269 9.493 -9.831 475 HG2 ARG 62 HG1 ARG 62 -3.323 10.949 -10.310 476 HG3 ARG 62 HG2 ARG 62 -2.899 11.857 -8.853 477 HD2 ARG 62 HD1 ARG 62 -1.298 11.528 -11.410 478 HD3 ARG 62 HD2 ARG 62 -1.876 13.031 -10.667 479 HE ARG 62 HE ARG 62 -0.196 12.241 -8.738 480 HH11 ARG 62 HH12 ARG 62 0.547 11.932 -12.187 481 HH12 ARG 62 HH11 ARG 62 2.233 11.663 -11.828 482 HH21 ARG 62 HH22 ARG 62 1.854 11.848 -8.391 483 HH22 ARG 62 HH21 ARG 62 2.983 11.652 -9.680 484 HA PRO 63 HA PRO 63 -1.280 5.068 -8.657 485 HB2 PRO 63 HB1 PRO 63 -1.036 4.131 -11.166 486 HB3 PRO 63 HB2 PRO 63 -2.615 4.124 -10.328 487 HG2 PRO 63 HG1 PRO 63 -1.565 6.189 -12.288 488 HG3 PRO 63 HG2 PRO 63 -3.166 5.366 -12.300 489 HD2 PRO 63 HD1 PRO 63 -2.762 7.869 -11.200 490 HD3 PRO 63 HD2 PRO 63 -3.965 6.717 -10.553 491 H VAL 64 H VAL 64 0.887 4.404 -8.965 492 HA VAL 64 HA VAL 64 2.746 6.288 -10.332 493 HB VAL 64 HB VAL 64 4.234 6.339 -8.362 494 HG11 VAL 64 HG11 VAL 64 3.106 8.038 -7.157 495 HG12 VAL 64 HG12 VAL 64 2.608 8.169 -8.845 496 HG13 VAL 64 HG13 VAL 64 1.504 7.442 -7.652 497 HG21 VAL 64 HG21 VAL 64 3.406 5.786 -6.110 498 HG22 VAL 64 HG22 VAL 64 1.974 5.022 -6.821 499 HG23 VAL 64 HG23 VAL 64 3.606 4.368 -7.137 500 HA PRO 65 HA PRO 65 4.496 2.637 -11.758 501 HB2 PRO 65 HB1 PRO 65 7.026 3.230 -12.445 502 HB3 PRO 65 HB2 PRO 65 5.626 4.084 -13.165 503 HG2 PRO 65 HG1 PRO 65 7.371 4.994 -10.864 504 HG3 PRO 65 HG2 PRO 65 6.878 5.932 -12.319 505 HD2 PRO 65 HD1 PRO 65 5.569 6.110 -9.908 506 HD3 PRO 65 HD2 PRO 65 4.717 6.265 -11.462 507 H PHE 66 H PHE 66 6.246 3.882 -8.968 508 HA PHE 66 HA PHE 66 6.456 1.366 -7.692 509 HB2 PHE 66 HB1 PHE 66 8.826 0.939 -7.728 510 HB3 PHE 66 HB2 PHE 66 8.199 0.881 -9.365 511 HD1 PHE 66 HD1 PHE 66 8.755 2.626 -10.981 512 HD2 PHE 66 HD2 PHE 66 10.291 2.724 -6.974 513 HE1 PHE 66 HE1 PHE 66 10.426 4.388 -11.650 514 HE2 PHE 66 HE2 PHE 66 11.862 4.514 -7.564 515 HZ PHE 66 HZ PHE 66 11.973 5.336 -9.938 516 H LEU 67 H LEU 67 7.760 1.444 -5.735 517 HA LEU 67 HA LEU 67 8.391 4.181 -4.703 518 HB2 LEU 67 HB1 LEU 67 7.706 1.752 -3.017 519 HB3 LEU 67 HB2 LEU 67 7.934 3.413 -2.459 520 HG LEU 67 HG LEU 67 5.593 2.238 -4.005 521 HD11 LEU 67 HD11 LEU 67 4.363 2.848 -1.965 522 HD12 LEU 67 HD12 LEU 67 5.860 3.537 -1.268 523 HD13 LEU 67 HD13 LEU 67 5.741 1.794 -1.587 524 HD21 LEU 67 HD21 LEU 67 5.942 4.531 -4.864 525 HD22 LEU 67 HD22 LEU 67 6.002 5.154 -3.202 526 HD23 LEU 67 HD23 LEU 67 4.505 4.435 -3.855 527 H GLU 68 H GLU 68 10.237 4.264 -3.332 528 HA GLU 68 HA GLU 68 12.301 2.160 -3.883 529 HB2 GLU 68 HB1 GLU 68 12.720 4.325 -5.041 530 HB3 GLU 68 HB2 GLU 68 12.636 5.159 -3.467 531 HG2 GLU 68 HG1 GLU 68 14.912 4.984 -3.848 532 HG3 GLU 68 HG2 GLU 68 14.628 3.635 -2.766 533 H VAL 69 H VAL 69 13.451 1.428 -2.104 534 HA VAL 69 HA VAL 69 13.324 3.075 0.343 535 HB VAL 69 HB VAL 69 13.218 0.018 0.454 536 HG11 VAL 69 HG11 VAL 69 14.305 1.117 2.427 537 HG12 VAL 69 HG12 VAL 69 12.876 2.143 2.637 538 HG13 VAL 69 HG13 VAL 69 12.757 0.386 2.863 539 HG21 VAL 69 HG21 VAL 69 10.913 0.309 1.336 540 HG22 VAL 69 HG22 VAL 69 10.967 2.024 0.912 541 HG23 VAL 69 HG23 VAL 69 11.042 0.775 -0.356 542 HA PRO 70 HA PRO 70 17.715 2.596 -0.403 543 HB2 PRO 70 HB1 PRO 70 18.714 4.173 1.594 544 HB3 PRO 70 HB2 PRO 70 17.889 4.841 0.153 545 HG2 PRO 70 HG1 PRO 70 16.696 4.284 2.884 546 HG3 PRO 70 HG2 PRO 70 16.568 5.791 1.908 547 HD2 PRO 70 HD1 PRO 70 14.609 3.889 1.898 548 HD3 PRO 70 HD2 PRO 70 15.034 4.787 0.414 549 HA PRO 71 HA PRO 71 19.006 -0.743 2.172 550 HB2 PRO 71 HB1 PRO 71 21.708 -0.363 2.527 551 HB3 PRO 71 HB2 PRO 71 20.922 -0.945 1.027 552 HG2 PRO 71 HG1 PRO 71 21.807 1.864 1.689 553 HG3 PRO 71 HG2 PRO 71 22.082 0.935 0.168 554 HD2 PRO 71 HD1 PRO 71 20.064 2.744 0.376 555 HD3 PRO 71 HD2 PRO 71 19.835 1.204 -0.501 556 H LYS 72 H LYS 72 19.083 -1.334 4.259 557 HA LYS 72 HA LYS 72 18.851 -1.215 6.494 558 HB2 LYS 72 HB1 LYS 72 20.703 1.172 6.495 559 HB3 LYS 72 HB2 LYS 72 20.430 0.004 7.801 560 HG2 LYS 72 HG1 LYS 72 21.804 -0.527 5.140 561 HG3 LYS 72 HG2 LYS 72 22.583 -0.343 6.724 562 HD2 LYS 72 HD1 LYS 72 21.597 -2.437 7.502 563 HD3 LYS 72 HD2 LYS 72 20.613 -2.571 6.018 564 HE2 LYS 72 HE1 LYS 72 22.658 -2.646 4.657 565 HE3 LYS 72 HE2 LYS 72 23.664 -2.589 6.102 566 HZ1 LYS 72 HZ1 LYS 72 23.317 -4.812 5.181 567 HZ2 LYS 72 HZ2 LYS 72 21.704 -4.730 5.484 568 HZ3 LYS 72 HZ3 LYS 72 22.779 -4.726 6.734 569 H GLY 73 H GLY 73 17.676 1.143 4.614 570 HA2 GLY 73 HA3 GLY 73 16.487 2.881 6.677 571 HA3 GLY 73 HA2 GLY 73 16.436 3.114 4.914 572 H ARG 74 H ARG 74 14.168 3.681 5.819 573 HA ARG 74 HA ARG 74 12.381 1.486 5.113 574 HB2 ARG 74 HB1 ARG 74 11.005 1.624 7.094 575 HB3 ARG 74 HB2 ARG 74 12.650 1.138 7.533 576 HG2 ARG 74 HG1 ARG 74 12.772 2.815 9.003 577 HG3 ARG 74 HG2 ARG 74 12.438 4.029 7.771 578 HD2 ARG 74 HD1 ARG 74 10.748 4.276 9.423 579 HD3 ARG 74 HD2 ARG 74 10.006 3.460 8.038 580 HE ARG 74 HE ARG 74 10.895 1.419 9.750 581 HH11 ARG 74 HH12 ARG 74 8.353 3.884 9.809 582 HH12 ARG 74 HH11 ARG 74 7.640 3.209 11.249 583 HH21 ARG 74 HH22 ARG 74 9.801 0.473 11.311 584 HH22 ARG 74 HH21 ARG 74 8.429 1.244 12.107 585 H VAL 75 H VAL 75 10.282 2.124 4.606 586 HA VAL 75 HA VAL 75 9.433 4.924 4.744 587 HB VAL 75 HB VAL 75 9.651 3.620 1.985 588 HG11 VAL 75 HG11 VAL 75 7.639 5.024 2.199 589 HG12 VAL 75 HG12 VAL 75 8.608 6.358 2.861 590 HG13 VAL 75 HG13 VAL 75 8.817 5.840 1.174 591 HG21 VAL 75 HG21 VAL 75 11.880 4.441 2.579 592 HG22 VAL 75 HG22 VAL 75 11.161 5.490 1.364 593 HG23 VAL 75 HG23 VAL 75 11.200 6.017 3.059 594 H GLU 76 H GLU 76 7.327 4.709 5.427 595 HA GLU 76 HA GLU 76 5.883 2.230 4.849 596 HB2 GLU 76 HB1 GLU 76 4.563 4.649 6.025 597 HB3 GLU 76 HB2 GLU 76 4.162 2.933 6.238 598 HG2 GLU 76 HG1 GLU 76 4.996 3.742 8.308 599 HG3 GLU 76 HG2 GLU 76 6.249 2.707 7.619 600 H LEU 77 H LEU 77 4.267 1.885 3.503 601 HA LEU 77 HA LEU 77 3.020 3.890 1.762 602 HB2 LEU 77 HB1 LEU 77 2.403 1.027 2.572 603 HB3 LEU 77 HB2 LEU 77 1.274 2.040 1.636 604 HG LEU 77 HG LEU 77 3.112 2.276 -0.099 605 HD11 LEU 77 HD11 LEU 77 5.130 1.538 1.016 606 HD12 LEU 77 HD12 LEU 77 4.706 0.263 -0.142 607 HD13 LEU 77 HD13 LEU 77 4.349 0.039 1.575 608 HD21 LEU 77 HD21 LEU 77 1.143 0.786 -0.339 609 HD22 LEU 77 HD22 LEU 77 2.048 -0.523 0.442 610 HD23 LEU 77 HD23 LEU 77 2.576 0.139 -1.130 611 H LYS 78 H LYS 78 2.715 5.481 3.333 612 HA LYS 78 HA LYS 78 1.168 4.914 5.761 613 HB2 LYS 78 HB1 LYS 78 1.715 7.261 6.340 614 HB3 LYS 78 HB2 LYS 78 3.141 6.270 5.989 615 HG2 LYS 78 HG1 LYS 78 3.119 7.313 3.649 616 HG3 LYS 78 HG2 LYS 78 1.889 8.440 4.277 617 HD2 LYS 78 HD1 LYS 78 3.572 9.741 4.946 618 HD3 LYS 78 HD2 LYS 78 3.924 8.573 6.211 619 HE2 LYS 78 HE1 LYS 78 5.149 8.627 3.413 620 HE3 LYS 78 HE2 LYS 78 5.925 9.234 4.894 621 HZ1 LYS 78 HZ1 LYS 78 5.242 6.400 4.321 622 HZ2 LYS 78 HZ2 LYS 78 5.916 6.918 5.728 623 HZ3 LYS 78 HZ3 LYS 78 6.733 7.053 4.335 624 HA PRO 79 HA PRO 79 -2.767 6.189 4.244 625 HB2 PRO 79 HB1 PRO 79 -4.001 7.279 6.431 626 HB3 PRO 79 HB2 PRO 79 -3.687 5.526 6.241 627 HG2 PRO 79 HG1 PRO 79 -1.971 7.567 7.696 628 HG3 PRO 79 HG2 PRO 79 -2.574 5.995 8.322 629 HD2 PRO 79 HD1 PRO 79 -0.080 6.189 7.295 630 HD3 PRO 79 HD2 PRO 79 -1.102 4.781 6.872 631 H GLY 80 H GLY 80 -0.733 8.695 5.717 632 HA2 GLY 80 HA3 GLY 80 -2.200 10.873 4.444 633 HA3 GLY 80 HA2 GLY 80 -0.623 10.967 5.259 634 H GLY 81 H GLY 81 -1.078 8.596 2.682 635 HA2 GLY 81 HA3 GLY 81 -0.243 10.020 0.413 636 HA3 GLY 81 HA2 GLY 81 1.233 9.550 1.285 637 H TYR 82 H TYR 82 2.142 7.707 0.592 638 HA TYR 82 HA TYR 82 0.913 6.379 -1.574 639 HB2 TYR 82 HB1 TYR 82 3.382 5.653 0.028 640 HB3 TYR 82 HB2 TYR 82 2.904 4.863 -1.490 641 HD1 TYR 82 HD1 TYR 82 2.836 6.122 -3.609 642 HD2 TYR 82 HD2 TYR 82 4.494 7.803 -0.003 643 HE1 TYR 82 HE1 TYR 82 3.986 7.831 -4.949 644 HE2 TYR 82 HE2 TYR 82 5.643 9.553 -1.357 645 HH TYR 82 HH TYR 82 5.291 9.730 -4.912 646 H HIS 83 H HIS 83 0.131 4.400 -1.948 647 HA HIS 83 HA HIS 83 -0.244 2.377 0.117 648 HB2 HIS 83 HB1 HIS 83 -2.599 2.580 0.431 649 HB3 HIS 83 HB2 HIS 83 -1.774 4.068 0.921 650 HD1 HIS 83 HD1 HIS 83 -2.167 6.234 -0.722 651 HD2 HIS 83 HD2 HIS 83 -4.290 2.702 -1.619 652 HE1 HIS 83 HE1 HIS 83 -3.799 6.789 -2.624 653 H PHE 84 H PHE 84 -1.369 0.467 -0.650 654 HA PHE 84 HA PHE 84 -1.521 0.253 -3.609 655 HB2 PHE 84 HB1 PHE 84 -1.913 -1.760 -1.372 656 HB3 PHE 84 HB2 PHE 84 -2.241 -2.107 -3.083 657 HD1 PHE 84 HD1 PHE 84 -0.276 -1.518 -4.760 658 HD2 PHE 84 HD2 PHE 84 0.220 -2.269 -0.538 659 HE1 PHE 84 HE1 PHE 84 2.142 -1.952 -5.116 660 HE2 PHE 84 HE2 PHE 84 2.626 -2.708 -0.905 661 HZ PHE 84 HZ PHE 84 3.596 -2.437 -3.170 662 H MET 85 H MET 85 -3.459 0.140 -4.677 663 HA MET 85 HA MET 85 -6.051 0.353 -3.192 664 HB2 MET 85 HB1 MET 85 -5.306 1.712 -5.417 665 HB3 MET 85 HB2 MET 85 -6.088 0.294 -6.141 666 HG2 MET 85 HG1 MET 85 -7.795 1.935 -5.836 667 HG3 MET 85 HG2 MET 85 -8.061 0.700 -4.601 668 HE1 MET 85 HE1 MET 85 -9.539 1.955 -3.108 669 HE2 MET 85 HE2 MET 85 -9.247 3.529 -2.348 670 HE3 MET 85 HE3 MET 85 -9.643 3.437 -4.082 671 H LEU 86 H LEU 86 -7.296 -1.448 -3.072 672 HA LEU 86 HA LEU 86 -6.500 -3.913 -4.613 673 HB2 LEU 86 HB1 LEU 86 -7.688 -3.484 -1.852 674 HB3 LEU 86 HB2 LEU 86 -7.800 -5.037 -2.727 675 HG LEU 86 HG LEU 86 -5.365 -5.249 -2.700 676 HD11 LEU 86 HD11 LEU 86 -5.360 -2.679 -1.055 677 HD12 LEU 86 HD12 LEU 86 -4.499 -2.986 -2.584 678 HD13 LEU 86 HD13 LEU 86 -4.008 -3.831 -1.125 679 HD21 LEU 86 HD21 LEU 86 -5.206 -5.723 -0.268 680 HD22 LEU 86 HD22 LEU 86 -6.796 -6.180 -0.900 681 HD23 LEU 86 HD23 LEU 86 -6.613 -4.677 0.027 682 H LEU 87 H LEU 87 -7.993 -4.504 -6.134 683 HA LEU 87 HA LEU 87 -10.839 -3.692 -5.717 684 HB2 LEU 87 HB1 LEU 87 -9.492 -3.578 -8.422 685 HB3 LEU 87 HB2 LEU 87 -11.130 -3.048 -7.960 686 HG LEU 87 HG LEU 87 -9.737 -1.340 -6.428 687 HD11 LEU 87 HD11 LEU 87 -7.717 -0.526 -7.634 688 HD12 LEU 87 HD12 LEU 87 -7.831 -1.880 -8.765 689 HD13 LEU 87 HD13 LEU 87 -7.461 -2.175 -7.056 690 HD21 LEU 87 HD21 LEU 87 -10.130 -1.008 -9.433 691 HD22 LEU 87 HD22 LEU 87 -9.913 0.308 -8.259 692 HD23 LEU 87 HD23 LEU 87 -11.355 -0.716 -8.176 693 H GLY 88 H GLY 88 -12.376 -5.137 -6.388 694 HA2 GLY 88 HA3 GLY 88 -13.269 -7.159 -7.098 695 HA3 GLY 88 HA2 GLY 88 -11.698 -7.608 -7.800 696 H LEU 89 H LEU 89 -12.435 -6.689 -4.430 697 HA LEU 89 HA LEU 89 -10.893 -8.676 -3.288 698 HB2 LEU 89 HB1 LEU 89 -12.059 -8.141 -1.140 699 HB3 LEU 89 HB2 LEU 89 -11.246 -6.824 -1.999 700 HG LEU 89 HG LEU 89 -13.485 -6.002 -2.757 701 HD11 LEU 89 HD11 LEU 89 -14.895 -7.928 -2.788 702 HD12 LEU 89 HD12 LEU 89 -15.505 -6.948 -1.456 703 HD13 LEU 89 HD13 LEU 89 -14.496 -8.358 -1.110 704 HD21 LEU 89 HD21 LEU 89 -13.348 -6.367 0.251 705 HD22 LEU 89 HD22 LEU 89 -14.130 -5.053 -0.627 706 HD23 LEU 89 HD23 LEU 89 -12.367 -5.192 -0.659 707 H LYS 90 H LYS 90 -11.214 -10.239 -1.852 708 HA LYS 90 HA LYS 90 -13.226 -12.232 -2.856 709 HB2 LYS 90 HB1 LYS 90 -10.480 -12.797 -1.792 710 HB3 LYS 90 HB2 LYS 90 -11.574 -13.914 -2.630 711 HG2 LYS 90 HG1 LYS 90 -10.222 -11.471 -3.852 712 HG3 LYS 90 HG2 LYS 90 -9.745 -13.186 -4.045 713 HD2 LYS 90 HD1 LYS 90 -11.909 -13.628 -5.185 714 HD3 LYS 90 HD2 LYS 90 -12.272 -11.889 -5.117 715 HE2 LYS 90 HE1 LYS 90 -10.348 -11.345 -6.454 716 HE3 LYS 90 HE2 LYS 90 -9.689 -12.990 -6.305 717 HZ1 LYS 90 HZ1 LYS 90 -11.718 -13.695 -7.622 718 HZ2 LYS 90 HZ2 LYS 90 -10.624 -12.782 -8.431 719 HZ3 LYS 90 HZ3 LYS 90 -11.953 -12.088 -7.978 720 H ARG 91 H ARG 91 -12.096 -10.685 -0.062 721 HA ARG 91 HA ARG 91 -14.165 -12.077 1.579 722 HB2 ARG 91 HB1 ARG 91 -11.695 -10.573 2.552 723 HB3 ARG 91 HB2 ARG 91 -13.057 -11.036 3.594 724 HG2 ARG 91 HG1 ARG 91 -12.544 -13.382 3.323 725 HG3 ARG 91 HG2 ARG 91 -11.298 -13.003 2.096 726 HD2 ARG 91 HD1 ARG 91 -9.967 -13.342 3.918 727 HD3 ARG 91 HD2 ARG 91 -10.193 -11.599 4.035 728 HE ARG 91 HE ARG 91 -12.119 -12.350 5.727 729 HH11 ARG 91 HH12 ARG 91 -8.719 -13.530 5.683 730 HH12 ARG 91 HH11 ARG 91 -9.015 -14.370 7.186 731 HH21 ARG 91 HH22 ARG 91 -12.109 -13.186 7.771 732 HH22 ARG 91 HH21 ARG 91 -10.676 -14.109 8.322 733 HA PRO 92 HA PRO 92 -15.566 -7.635 1.286 734 HB2 PRO 92 HB1 PRO 92 -17.921 -7.926 2.645 735 HB3 PRO 92 HB2 PRO 92 -17.761 -8.291 0.898 736 HG2 PRO 92 HG1 PRO 92 -17.736 -10.215 3.224 737 HG3 PRO 92 HG2 PRO 92 -18.569 -10.388 1.640 738 HD2 PRO 92 HD1 PRO 92 -16.134 -11.569 2.251 739 HD3 PRO 92 HD2 PRO 92 -16.596 -11.087 0.594 740 H LEU 93 H LEU 93 -14.329 -6.483 2.790 741 HA LEU 93 HA LEU 93 -13.666 -7.972 5.207 742 HB2 LEU 93 HB1 LEU 93 -11.365 -7.146 4.906 743 HB3 LEU 93 HB2 LEU 93 -11.958 -8.400 3.785 744 HG LEU 93 HG LEU 93 -12.106 -6.758 1.996 745 HD11 LEU 93 HD11 LEU 93 -11.005 -4.521 2.270 746 HD12 LEU 93 HD12 LEU 93 -12.542 -4.671 3.109 747 HD13 LEU 93 HD13 LEU 93 -11.020 -4.773 4.029 748 HD21 LEU 93 HD21 LEU 93 -9.412 -6.746 3.404 749 HD22 LEU 93 HD22 LEU 93 -9.697 -6.479 1.669 750 HD23 LEU 93 HD23 LEU 93 -10.051 -8.059 2.387 751 H LYS 94 H LYS 94 -13.064 -7.074 6.811 752 HA LYS 94 HA LYS 94 -14.151 -4.411 7.555 753 HB2 LYS 94 HB1 LYS 94 -15.684 -5.857 9.130 754 HB3 LYS 94 HB2 LYS 94 -16.102 -5.690 7.400 755 HG2 LYS 94 HG1 LYS 94 -15.186 -7.818 6.869 756 HG3 LYS 94 HG2 LYS 94 -14.448 -8.006 8.467 757 HD2 LYS 94 HD1 LYS 94 -16.322 -8.874 9.345 758 HD3 LYS 94 HD2 LYS 94 -17.357 -7.666 8.549 759 HE2 LYS 94 HE1 LYS 94 -17.765 -10.055 7.794 760 HE3 LYS 94 HE2 LYS 94 -17.340 -8.917 6.480 761 HZ1 LYS 94 HZ1 LYS 94 -16.126 -10.934 6.165 762 HZ2 LYS 94 HZ2 LYS 94 -15.482 -10.921 7.678 763 HZ3 LYS 94 HZ3 LYS 94 -15.049 -9.807 6.608 764 H ALA 95 H ALA 95 -14.391 -4.275 10.046 765 HA ALA 95 HA ALA 95 -11.696 -4.033 10.978 766 HB1 ALA 95 HB1 ALA 95 -13.423 -2.410 11.593 767 HB2 ALA 95 HB2 ALA 95 -14.364 -3.684 12.413 768 HB3 ALA 95 HB3 ALA 95 -12.779 -3.195 13.041 769 H GLY 96 H GLY 96 -10.527 -5.425 11.889 770 HA2 GLY 96 HA3 GLY 96 -9.897 -7.001 13.548 771 HA3 GLY 96 HA2 GLY 96 -11.586 -7.547 13.660 772 H GLU 97 H GLU 97 -10.925 -7.538 10.353 773 HA GLU 97 HA GLU 97 -10.171 -10.402 10.371 774 HB2 GLU 97 HB1 GLU 97 -11.041 -8.480 8.221 775 HB3 GLU 97 HB2 GLU 97 -10.319 -10.048 7.790 776 HG2 GLU 97 HG1 GLU 97 -11.937 -11.181 9.296 777 HG3 GLU 97 HG2 GLU 97 -12.796 -9.651 9.471 778 H GLU 98 H GLU 98 -8.629 -10.487 8.028 779 HA GLU 98 HA GLU 98 -5.917 -10.033 8.995 780 HB2 GLU 98 HB1 GLU 98 -5.963 -12.713 8.890 781 HB3 GLU 98 HB2 GLU 98 -6.306 -11.838 10.400 782 HG2 GLU 98 HG1 GLU 98 -8.496 -12.439 10.430 783 HG3 GLU 98 HG2 GLU 98 -8.668 -12.439 8.659 784 H VAL 99 H VAL 99 -4.815 -9.787 7.158 785 HA VAL 99 HA VAL 99 -5.517 -11.260 4.647 786 HB VAL 99 HB VAL 99 -5.460 -8.236 5.046 787 HG11 VAL 99 HG11 VAL 99 -5.814 -8.122 2.534 788 HG12 VAL 99 HG12 VAL 99 -4.194 -8.567 3.037 789 HG13 VAL 99 HG13 VAL 99 -5.305 -9.829 2.459 790 HG21 VAL 99 HG21 VAL 99 -7.682 -8.314 3.966 791 HG22 VAL 99 HG22 VAL 99 -7.582 -10.086 3.849 792 HG23 VAL 99 HG23 VAL 99 -7.683 -9.284 5.427 793 H GLU 100 H GLU 100 -3.811 -11.875 3.458 794 HA GLU 100 HA GLU 100 -1.083 -11.036 4.139 795 HB2 GLU 100 HB1 GLU 100 -2.072 -12.588 1.747 796 HB3 GLU 100 HB2 GLU 100 -0.381 -12.370 2.250 797 HG2 GLU 100 HG1 GLU 100 -0.962 -13.733 4.318 798 HG3 GLU 100 HG2 GLU 100 -2.509 -14.105 3.528 799 H LEU 101 H LEU 101 0.220 -9.738 2.977 800 HA LEU 101 HA LEU 101 -0.556 -9.040 0.217 801 HB2 LEU 101 HB1 LEU 101 0.329 -7.081 2.276 802 HB3 LEU 101 HB2 LEU 101 1.185 -7.029 0.698 803 HG LEU 101 HG LEU 101 -1.191 -6.991 -0.347 804 HD11 LEU 101 HD11 LEU 101 -1.840 -5.916 2.435 805 HD12 LEU 101 HD12 LEU 101 -2.902 -5.850 1.012 806 HD13 LEU 101 HD13 LEU 101 -2.490 -7.407 1.736 807 HD21 LEU 101 HD21 LEU 101 -1.248 -4.558 -0.262 808 HD22 LEU 101 HD22 LEU 101 0.422 -5.123 -0.431 809 HD23 LEU 101 HD23 LEU 101 -0.174 -4.556 1.148 810 H ASP 102 H ASP 102 0.878 -9.287 -1.215 811 HA ASP 102 HA ASP 102 3.634 -10.375 -0.740 812 HB2 ASP 102 HB1 ASP 102 1.573 -10.486 -2.960 813 HB3 ASP 102 HB2 ASP 102 3.223 -10.888 -3.324 814 H LEU 103 H LEU 103 5.332 -8.896 -1.495 815 HA LEU 103 HA LEU 103 4.426 -6.445 -2.942 816 HB2 LEU 103 HB1 LEU 103 6.411 -6.786 -0.670 817 HB3 LEU 103 HB2 LEU 103 6.056 -5.284 -1.560 818 HG LEU 103 HG LEU 103 3.541 -5.912 -0.751 819 HD11 LEU 103 HD11 LEU 103 4.155 -7.901 0.588 820 HD12 LEU 103 HD12 LEU 103 3.660 -6.578 1.642 821 HD13 LEU 103 HD13 LEU 103 5.382 -6.960 1.461 822 HD21 LEU 103 HD21 LEU 103 3.831 -4.303 1.026 823 HD22 LEU 103 HD22 LEU 103 4.721 -3.779 -0.410 824 HD23 LEU 103 HD23 LEU 103 5.594 -4.491 0.971 825 H LEU 104 H LEU 104 5.233 -6.421 -4.873 826 HA LEU 104 HA LEU 104 7.359 -8.282 -5.684 827 HB2 LEU 104 HB1 LEU 104 5.610 -6.318 -7.205 828 HB3 LEU 104 HB2 LEU 104 6.720 -7.428 -7.991 829 HG LEU 104 HG LEU 104 4.242 -8.140 -6.356 830 HD11 LEU 104 HD11 LEU 104 3.373 -8.992 -8.498 831 HD12 LEU 104 HD12 LEU 104 4.858 -8.462 -9.323 832 HD13 LEU 104 HD13 LEU 104 3.754 -7.271 -8.602 833 HD21 LEU 104 HD21 LEU 104 5.901 -9.918 -6.000 834 HD22 LEU 104 HD22 LEU 104 6.230 -10.002 -7.743 835 HD23 LEU 104 HD23 LEU 104 4.650 -10.497 -7.095 836 H PHE 105 H PHE 105 9.369 -7.784 -5.421 837 HA PHE 105 HA PHE 105 10.280 -4.957 -5.430 838 HB2 PHE 105 HB1 PHE 105 11.297 -7.496 -4.194 839 HB3 PHE 105 HB2 PHE 105 12.303 -6.054 -4.303 840 HD1 PHE 105 HD2 PHE 105 8.855 -5.086 -3.536 841 HD2 PHE 105 HD1 PHE 105 12.477 -6.679 -1.815 842 HE1 PHE 105 HE2 PHE 105 8.101 -4.460 -1.295 843 HE2 PHE 105 HE1 PHE 105 11.610 -6.189 0.440 844 HZ PHE 105 HZ PHE 105 9.423 -5.078 0.705 845 H ALA 106 H ALA 106 11.792 -4.243 -6.845 846 HA ALA 106 HA ALA 106 11.921 -5.414 -9.334 847 HB1 ALA 106 HB1 ALA 106 12.218 -3.000 -8.814 848 HB2 ALA 106 HB2 ALA 106 13.870 -3.354 -8.241 849 HB3 ALA 106 HB3 ALA 106 13.439 -3.617 -9.941 850 H GLY 107 H GLY 107 13.038 -6.894 -10.338 851 HA2 GLY 107 HA3 GLY 107 14.826 -8.149 -11.100 852 HA3 GLY 107 HA2 GLY 107 15.876 -7.369 -9.894 853 H GLY 108 H GLY 108 13.151 -9.689 -10.106 854 HA2 GLY 108 HA3 GLY 108 12.993 -11.859 -9.455 855 HA3 GLY 108 HA2 GLY 108 14.729 -11.806 -9.073 856 H LYS 109 H LYS 109 12.442 -9.686 -7.341 857 HA LYS 109 HA LYS 109 12.890 -11.354 -4.880 858 HB2 LYS 109 HB1 LYS 109 13.029 -8.345 -5.272 859 HB3 LYS 109 HB2 LYS 109 13.099 -9.132 -3.691 860 HG2 LYS 109 HG1 LYS 109 15.272 -9.826 -3.982 861 HG3 LYS 109 HG2 LYS 109 15.105 -9.990 -5.743 862 HD2 LYS 109 HD1 LYS 109 14.833 -7.402 -5.736 863 HD3 LYS 109 HD2 LYS 109 15.529 -7.452 -4.118 864 HE2 LYS 109 HE1 LYS 109 17.625 -8.200 -4.944 865 HE3 LYS 109 HE2 LYS 109 16.874 -8.896 -6.416 866 HZ1 LYS 109 HZ1 LYS 109 17.235 -6.017 -5.850 867 HZ2 LYS 109 HZ2 LYS 109 16.384 -6.624 -7.111 868 HZ3 LYS 109 HZ3 LYS 109 18.005 -6.903 -7.011 869 H VAL 110 H VAL 110 11.373 -11.233 -3.270 870 HA VAL 110 HA VAL 110 9.060 -9.493 -3.510 871 HB VAL 110 HB VAL 110 8.567 -11.625 -4.756 872 HG11 VAL 110 HG11 VAL 110 8.445 -12.962 -2.032 873 HG12 VAL 110 HG12 VAL 110 8.012 -13.673 -3.596 874 HG13 VAL 110 HG13 VAL 110 9.697 -13.235 -3.266 875 HG21 VAL 110 HG21 VAL 110 6.688 -11.151 -2.389 876 HG22 VAL 110 HG22 VAL 110 6.726 -10.174 -3.870 877 HG23 VAL 110 HG23 VAL 110 6.269 -11.879 -3.947 878 H LEU 111 H LEU 111 7.971 -9.157 -1.544 879 HA LEU 111 HA LEU 111 9.024 -10.541 0.896 880 HB2 LEU 111 HB1 LEU 111 9.764 -8.211 0.844 881 HB3 LEU 111 HB2 LEU 111 8.106 -7.659 0.527 882 HG LEU 111 HG LEU 111 7.437 -8.458 2.793 883 HD11 LEU 111 HD11 LEU 111 10.422 -9.006 3.143 884 HD12 LEU 111 HD12 LEU 111 9.128 -10.225 3.162 885 HD13 LEU 111 HD13 LEU 111 9.209 -9.012 4.442 886 HD21 LEU 111 HD21 LEU 111 8.082 -6.122 2.424 887 HD22 LEU 111 HD22 LEU 111 9.790 -6.523 2.720 888 HD23 LEU 111 HD23 LEU 111 8.594 -6.660 4.030 889 H LYS 112 H LYS 112 7.464 -11.332 2.305 890 HA LYS 112 HA LYS 112 4.581 -11.002 1.564 891 HB2 LYS 112 HB1 LYS 112 5.318 -13.323 1.461 892 HB3 LYS 112 HB2 LYS 112 6.062 -13.194 3.080 893 HG2 LYS 112 HG1 LYS 112 4.109 -14.395 3.440 894 HG3 LYS 112 HG2 LYS 112 3.690 -12.768 3.971 895 HD2 LYS 112 HD1 LYS 112 1.806 -13.372 2.771 896 HD3 LYS 112 HD2 LYS 112 2.712 -12.530 1.514 897 HE2 LYS 112 HE1 LYS 112 3.622 -14.745 0.746 898 HE3 LYS 112 HE2 LYS 112 2.668 -15.545 2.027 899 HZ1 LYS 112 HZ1 LYS 112 1.548 -15.620 -0.100 900 HZ2 LYS 112 HZ2 LYS 112 1.563 -13.980 -0.212 901 HZ3 LYS 112 HZ3 LYS 112 0.668 -14.780 0.966 902 H VAL 113 H VAL 113 3.303 -9.964 3.014 903 HA VAL 113 HA VAL 113 4.123 -9.816 5.898 904 HB VAL 113 HB VAL 113 3.026 -7.656 6.139 905 HG11 VAL 113 HG11 VAL 113 4.705 -6.229 5.091 906 HG12 VAL 113 HG12 VAL 113 5.467 -7.718 5.681 907 HG13 VAL 113 HG13 VAL 113 5.140 -7.514 3.946 908 HG21 VAL 113 HG21 VAL 113 1.372 -7.651 4.400 909 HG22 VAL 113 HG22 VAL 113 2.438 -6.262 4.152 910 HG23 VAL 113 HG23 VAL 113 2.607 -7.716 3.144 911 H VAL 114 H VAL 114 2.369 -9.917 7.411 912 HA VAL 114 HA VAL 114 -0.325 -10.487 6.252 913 HB VAL 114 HB VAL 114 0.728 -11.674 8.850 914 HG11 VAL 114 HG11 VAL 114 -1.702 -11.202 8.909 915 HG12 VAL 114 HG12 VAL 114 -1.916 -12.024 7.346 916 HG13 VAL 114 HG13 VAL 114 -1.426 -12.944 8.787 917 HG21 VAL 114 HG21 VAL 114 1.771 -12.847 6.966 918 HG22 VAL 114 HG22 VAL 114 0.199 -12.999 6.154 919 HG23 VAL 114 HG23 VAL 114 0.515 -13.870 7.670 920 H LEU 115 H LEU 115 -1.752 -9.052 6.810 921 HA LEU 115 HA LEU 115 -1.184 -7.070 8.971 922 HB2 LEU 115 HB1 LEU 115 -2.682 -6.619 6.371 923 HB3 LEU 115 HB2 LEU 115 -2.144 -5.395 7.530 924 HG LEU 115 HG LEU 115 -0.433 -6.996 5.596 925 HD11 LEU 115 HD11 LEU 115 -0.997 -4.006 5.784 926 HD12 LEU 115 HD12 LEU 115 -1.761 -5.124 4.640 927 HD13 LEU 115 HD13 LEU 115 -0.020 -4.831 4.549 928 HD21 LEU 115 HD21 LEU 115 0.971 -6.701 7.547 929 HD22 LEU 115 HD22 LEU 115 0.413 -5.042 7.770 930 HD23 LEU 115 HD23 LEU 115 1.447 -5.460 6.389 931 HA PRO 116 HA PRO 116 -5.508 -8.007 10.142 932 HB2 PRO 116 HB1 PRO 116 -6.035 -5.925 11.819 933 HB3 PRO 116 HB2 PRO 116 -4.970 -7.286 12.288 934 HG2 PRO 116 HG1 PRO 116 -4.145 -4.588 11.159 935 HG3 PRO 116 HG2 PRO 116 -3.503 -5.414 12.626 936 HD2 PRO 116 HD1 PRO 116 -2.232 -5.584 10.222 937 HD3 PRO 116 HD2 PRO 116 -2.312 -6.984 11.331 938 H VAL 117 H VAL 117 -7.650 -7.004 9.760 939 HA VAL 117 HA VAL 117 -7.583 -4.707 7.848 940 HB VAL 117 HB VAL 117 -9.835 -6.596 8.473 941 HG11 VAL 117 HG11 VAL 117 -10.866 -5.608 6.389 942 HG12 VAL 117 HG12 VAL 117 -10.707 -4.401 7.661 943 HG13 VAL 117 HG13 VAL 117 -9.557 -4.437 6.308 944 HG21 VAL 117 HG21 VAL 117 -8.170 -6.490 5.943 945 HG22 VAL 117 HG22 VAL 117 -7.962 -7.696 7.224 946 HG23 VAL 117 HG23 VAL 117 -9.474 -7.620 6.319 947 H GLU 118 H GLU 118 -8.546 -2.761 8.327 948 HA GLU 118 HA GLU 118 -9.892 -2.369 10.945 949 HB2 GLU 118 HB1 GLU 118 -7.216 -1.815 10.284 950 HB3 GLU 118 HB2 GLU 118 -7.993 -0.240 10.188 951 HG2 GLU 118 HG1 GLU 118 -8.391 -2.115 12.552 952 HG3 GLU 118 HG2 GLU 118 -7.028 -0.972 12.450 953 H ALA 119 H ALA 119 -11.130 -0.476 11.178 954 HA ALA 119 HA ALA 119 -12.491 0.429 8.694 955 HB1 ALA 119 HB1 ALA 119 -13.221 0.644 11.641 956 HB2 ALA 119 HB2 ALA 119 -14.202 1.267 10.297 957 HB3 ALA 119 HB3 ALA 119 -13.924 -0.474 10.445 958 H ARG 120 H ARG 120 -10.189 1.383 8.455 959 HA ARG 120 HA ARG 120 -9.949 4.067 9.666 960 HB2 ARG 120 HB1 ARG 120 -8.631 2.011 10.419 961 HB3 ARG 120 HB2 ARG 120 -7.802 2.115 8.847 962 HG2 ARG 120 HG1 ARG 120 -6.448 3.088 10.589 963 HG3 ARG 120 HG2 ARG 120 -6.969 4.335 9.430 964 HD2 ARG 120 HD1 ARG 120 -6.979 4.973 11.907 965 HD3 ARG 120 HD2 ARG 120 -8.456 5.319 10.981 966 HE ARG 120 HE ARG 120 -8.215 2.872 12.706 967 HH11 ARG 120 HH12 ARG 120 -10.217 5.501 11.585 968 HH12 ARG 120 HH11 ARG 120 -11.628 4.514 11.846 969 HH21 ARG 120 HH22 ARG 120 -9.972 1.916 13.194 970 HH22 ARG 120 HH21 ARG 120 -11.527 2.643 12.920 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 7.695 -1.739 15.816 2 H2 GLY 1 2H GLY 1 6.962 -0.237 15.843 3 H3 GLY 1 3H GLY 1 6.381 -1.437 14.904 4 HA2 GLY 1 HA3 GLY 1 6.298 -1.376 17.836 5 HA3 GLY 1 HA2 GLY 1 4.921 -1.295 16.714 6 H SER 2 H SER 2 4.741 -3.105 15.158 7 HA SER 2 HA SER 2 5.773 -5.797 15.880 8 HB2 SER 2 HB1 SER 2 3.711 -5.609 14.659 9 HB3 SER 2 HB2 SER 2 4.447 -4.491 13.490 10 HG SER 2 HG SER 2 4.604 -6.255 12.416 11 H PHE 3 H PHE 3 7.222 -6.736 13.934 12 HA PHE 3 HA PHE 3 9.620 -5.067 13.642 13 HB2 PHE 3 HB1 PHE 3 10.613 -6.883 12.570 14 HB3 PHE 3 HB2 PHE 3 9.681 -7.579 13.884 15 HD1 PHE 3 HD1 PHE 3 9.997 -7.184 10.208 16 HD2 PHE 3 HD2 PHE 3 7.703 -9.002 13.384 17 HE1 PHE 3 HE1 PHE 3 9.018 -8.768 8.592 18 HE2 PHE 3 HE2 PHE 3 6.702 -10.582 11.746 19 HZ PHE 3 HZ PHE 3 7.368 -10.477 9.349 20 H THR 4 H THR 4 6.776 -5.822 11.799 21 HA THR 4 HA THR 4 7.365 -3.620 9.909 22 HB THR 4 HB THR 4 7.910 -5.582 8.660 23 HG1 THR 4 HG1 THR 4 6.669 -5.019 7.011 24 HG21 THR 4 HG21 THR 4 6.501 -7.257 9.956 25 HG22 THR 4 HG22 THR 4 6.382 -7.373 8.199 26 HG23 THR 4 HG23 THR 4 5.077 -6.598 9.142 27 H GLU 5 H GLU 5 5.699 -2.342 9.572 28 HA GLU 5 HA GLU 5 3.288 -2.598 11.320 29 HB2 GLU 5 HB1 GLU 5 5.202 -0.486 10.592 30 HB3 GLU 5 HB2 GLU 5 3.509 0.019 10.310 31 HG2 GLU 5 HG1 GLU 5 4.116 0.782 12.437 32 HG3 GLU 5 HG2 GLU 5 2.945 -0.530 12.599 33 H GLY 6 H GLY 6 1.405 -3.286 10.091 34 HA2 GLY 6 HA3 GLY 6 0.640 -1.244 8.211 35 HA3 GLY 6 HA2 GLY 6 0.819 -2.825 7.417 36 H TRP 7 H TRP 7 -1.554 -1.572 7.253 37 HA TRP 7 HA TRP 7 -3.214 -3.692 8.399 38 HB2 TRP 7 HB1 TRP 7 -4.913 -2.306 9.276 39 HB3 TRP 7 HB2 TRP 7 -3.399 -1.856 10.050 40 HD1 TRP 7 HD TRP 7 -6.361 -0.454 8.392 41 HE1 TRP 7 HE1 TRP 7 -6.157 2.073 8.000 42 HE3 TRP 7 3HE TRP 7 -1.323 0.115 9.269 43 HZ2 TRP 7 HZ2 TRP 7 -4.096 4.051 8.027 44 HZ3 TRP 7 HZ3 TRP 7 -0.271 2.334 9.027 45 HH2 TRP 7 HH TRP 7 -1.633 4.316 8.412 46 H VAL 8 H VAL 8 -5.084 -4.142 7.183 47 HA VAL 8 HA VAL 8 -5.048 -2.993 4.397 48 HB VAL 8 HB VAL 8 -6.141 -5.581 5.536 49 HG11 VAL 8 HG11 VAL 8 -6.615 -4.407 2.750 50 HG12 VAL 8 HG12 VAL 8 -6.939 -6.093 3.214 51 HG13 VAL 8 HG13 VAL 8 -7.860 -4.786 3.961 52 HG21 VAL 8 HG21 VAL 8 -4.612 -6.506 3.784 53 HG22 VAL 8 HG22 VAL 8 -4.111 -4.868 3.360 54 HG23 VAL 8 HG23 VAL 8 -3.752 -5.529 4.971 55 H ARG 9 H ARG 9 -6.636 -1.593 3.782 56 HA ARG 9 HA ARG 9 -8.248 -0.599 5.938 57 HB2 ARG 9 HB1 ARG 9 -7.177 0.746 4.042 58 HB3 ARG 9 HB2 ARG 9 -8.557 0.252 3.048 59 HG2 ARG 9 HG1 ARG 9 -10.054 1.122 4.945 60 HG3 ARG 9 HG2 ARG 9 -8.574 1.798 5.662 61 HD2 ARG 9 HD1 ARG 9 -9.516 3.608 4.500 62 HD3 ARG 9 HD2 ARG 9 -8.263 3.016 3.406 63 HE ARG 9 HE ARG 9 -10.875 1.815 2.971 64 HH11 ARG 9 HH12 ARG 9 -8.959 4.657 2.201 65 HH12 ARG 9 HH11 ARG 9 -9.938 5.096 0.826 66 HH21 ARG 9 HH22 ARG 9 -12.125 2.351 1.218 67 HH22 ARG 9 HH21 ARG 9 -11.768 3.776 0.283 68 H PHE 10 H PHE 10 -10.133 -1.300 6.584 69 HA PHE 10 HA PHE 10 -12.099 -2.916 5.400 70 HB2 PHE 10 HB1 PHE 10 -12.209 -2.230 7.693 71 HB3 PHE 10 HB2 PHE 10 -12.199 -0.509 7.238 72 HD1 PHE 10 HD2 PHE 10 -14.200 0.520 6.116 73 HD2 PHE 10 HD1 PHE 10 -14.271 -3.333 8.038 74 HE1 PHE 10 HE2 PHE 10 -16.669 0.584 6.127 75 HE2 PHE 10 HE1 PHE 10 -16.749 -3.201 8.183 76 HZ PHE 10 HZ PHE 10 -17.957 -1.282 7.137 77 H SER 11 H SER 11 -13.695 -2.630 3.793 78 HA SER 11 HA SER 11 -14.805 0.002 3.461 79 HB2 SER 11 HB1 SER 11 -13.254 -1.383 1.264 80 HB3 SER 11 HB2 SER 11 -14.645 -0.363 0.878 81 HG SER 11 HG SER 11 -12.612 0.456 2.645 82 HA PRO 12 HA PRO 12 -18.291 -2.704 2.978 83 HB2 PRO 12 HB1 PRO 12 -20.281 -0.939 2.830 84 HB3 PRO 12 HB2 PRO 12 -19.115 -0.850 4.187 85 HG2 PRO 12 HG1 PRO 12 -19.045 0.739 1.590 86 HG3 PRO 12 HG2 PRO 12 -19.000 1.388 3.270 87 HD2 PRO 12 HD1 PRO 12 -16.727 0.855 1.773 88 HD3 PRO 12 HD2 PRO 12 -16.791 0.733 3.556 89 H GLY 13 H GLY 13 -16.846 -2.786 0.612 90 HA2 GLY 13 HA3 GLY 13 -18.843 -2.890 -1.522 91 HA3 GLY 13 HA2 GLY 13 -17.691 -1.543 -1.670 92 HA PRO 14 HA PRO 14 -16.035 -5.278 -3.908 93 HB2 PRO 14 HB1 PRO 14 -15.716 -4.160 -6.381 94 HB3 PRO 14 HB2 PRO 14 -17.285 -4.775 -5.799 95 HG2 PRO 14 HG1 PRO 14 -16.277 -1.918 -5.779 96 HG3 PRO 14 HG2 PRO 14 -17.873 -2.523 -6.348 97 HD2 PRO 14 HD1 PRO 14 -17.515 -1.463 -3.849 98 HD3 PRO 14 HD2 PRO 14 -18.636 -2.826 -4.139 99 H ASN 15 H ASN 15 -14.817 -2.007 -3.492 100 HA ASN 15 HA ASN 15 -12.054 -2.909 -3.942 101 HB2 ASN 15 HB1 ASN 15 -11.658 -0.589 -4.636 102 HB3 ASN 15 HB2 ASN 15 -12.807 -1.435 -5.676 103 HD21 ASN 15 HD21 ASN 15 -14.482 -0.137 -6.322 104 HD22 ASN 15 HD22 ASN 15 -15.137 1.165 -5.345 105 H ALA 16 H ALA 16 -10.448 -1.756 -2.858 106 HA ALA 16 HA ALA 16 -10.906 -0.431 -0.281 107 HB1 ALA 16 HB1 ALA 16 -9.654 -3.205 -0.544 108 HB2 ALA 16 HB2 ALA 16 -9.694 -2.243 0.945 109 HB3 ALA 16 HB3 ALA 16 -11.202 -2.813 0.219 110 H ALA 17 H ALA 17 -8.481 -0.575 0.785 111 HA ALA 17 HA ALA 17 -6.354 0.180 -1.119 112 HB1 ALA 17 HB1 ALA 17 -7.469 2.336 -0.598 113 HB2 ALA 17 HB2 ALA 17 -7.341 1.985 1.144 114 HB3 ALA 17 HB3 ALA 17 -5.875 2.242 0.181 115 H ALA 18 H ALA 18 -4.212 0.265 0.183 116 HA ALA 18 HA ALA 18 -4.416 -0.881 2.905 117 HB1 ALA 18 HB1 ALA 18 -2.800 -2.642 2.510 118 HB2 ALA 18 HB2 ALA 18 -4.205 -2.868 1.455 119 HB3 ALA 18 HB3 ALA 18 -2.683 -2.219 0.797 120 H TYR 19 H TYR 19 -2.892 -0.355 4.276 121 HA TYR 19 HA TYR 19 -0.893 1.705 3.471 122 HB2 TYR 19 HB1 TYR 19 -2.695 1.633 5.920 123 HB3 TYR 19 HB2 TYR 19 -1.598 2.937 5.472 124 HD1 TYR 19 HD1 TYR 19 -2.188 3.473 2.683 125 HD2 TYR 19 HD2 TYR 19 -4.893 2.439 5.854 126 HE1 TYR 19 HE1 TYR 19 -4.068 4.589 1.463 127 HE2 TYR 19 HE2 TYR 19 -6.710 3.644 4.733 128 HH TYR 19 HH TYR 19 -6.174 5.298 1.569 129 H LEU 20 H LEU 20 1.140 1.007 4.044 130 HA LEU 20 HA LEU 20 1.692 -0.499 6.461 131 HB2 LEU 20 HB1 LEU 20 2.322 -2.607 5.431 132 HB3 LEU 20 HB2 LEU 20 0.610 -2.301 5.169 133 HG LEU 20 HG LEU 20 2.426 -1.389 2.961 134 HD11 LEU 20 HD11 LEU 20 3.603 -3.436 3.625 135 HD12 LEU 20 HD12 LEU 20 2.799 -3.629 2.060 136 HD13 LEU 20 HD13 LEU 20 2.092 -4.363 3.513 137 HD21 LEU 20 HD21 LEU 20 0.680 -2.571 1.596 138 HD22 LEU 20 HD22 LEU 20 0.037 -1.281 2.625 139 HD23 LEU 20 HD23 LEU 20 -0.166 -2.988 3.086 140 H THR 21 H THR 21 3.973 -1.292 6.588 141 HA THR 21 HA THR 21 5.646 0.755 5.343 142 HB THR 21 HB THR 21 5.580 0.377 7.795 143 HG1 THR 21 HG1 THR 21 7.502 1.128 7.835 144 HG21 THR 21 HG21 THR 21 7.567 -1.818 7.218 145 HG22 THR 21 HG22 THR 21 5.886 -2.108 7.740 146 HG23 THR 21 HG23 THR 21 7.006 -1.156 8.773 147 H LEU 22 H LEU 22 7.296 0.610 4.190 148 HA LEU 22 HA LEU 22 8.134 -1.981 2.996 149 HB2 LEU 22 HB1 LEU 22 7.555 0.224 1.687 150 HB3 LEU 22 HB2 LEU 22 9.120 0.803 2.248 151 HG LEU 22 HG LEU 22 9.313 -0.010 0.008 152 HD11 LEU 22 HD11 LEU 22 11.194 -0.675 1.635 153 HD12 LEU 22 HD12 LEU 22 11.098 -1.577 0.118 154 HD13 LEU 22 HD13 LEU 22 10.488 -2.304 1.612 155 HD21 LEU 22 HD21 LEU 22 8.612 -2.176 -0.739 156 HD22 LEU 22 HD22 LEU 22 7.260 -1.426 0.119 157 HD23 LEU 22 HD23 LEU 22 8.219 -2.697 0.908 158 H GLU 23 H GLU 23 9.866 -2.899 3.887 159 HA GLU 23 HA GLU 23 11.836 -1.212 5.362 160 HB2 GLU 23 HB1 GLU 23 12.481 -3.111 6.668 161 HB3 GLU 23 HB2 GLU 23 10.775 -2.726 6.932 162 HG2 GLU 23 HG1 GLU 23 10.068 -4.654 5.682 163 HG3 GLU 23 HG2 GLU 23 11.705 -4.951 5.053 164 H ASN 24 H ASN 24 13.892 -1.383 4.868 165 HA ASN 24 HA ASN 24 14.687 -3.160 2.590 166 HB2 ASN 24 HB1 ASN 24 14.346 -0.595 2.374 167 HB3 ASN 24 HB2 ASN 24 15.837 -0.424 3.280 168 HD21 ASN 24 HD21 ASN 24 17.402 -2.530 2.067 169 HD22 ASN 24 HD22 ASN 24 17.569 -2.155 0.365 170 HA PRO 25 HA PRO 25 17.084 -4.095 6.518 171 HB2 PRO 25 HB1 PRO 25 16.990 -6.853 6.394 172 HB3 PRO 25 HB2 PRO 25 15.717 -5.833 7.133 173 HG2 PRO 25 HG1 PRO 25 15.790 -6.934 4.305 174 HG3 PRO 25 HG2 PRO 25 14.445 -7.045 5.496 175 HD2 PRO 25 HD1 PRO 25 14.420 -5.115 3.626 176 HD3 PRO 25 HD2 PRO 25 14.005 -4.714 5.321 177 H GLY 26 H GLY 26 17.546 -5.148 3.168 178 HA2 GLY 26 HA3 GLY 26 20.263 -6.092 3.550 179 HA3 GLY 26 HA2 GLY 26 19.421 -5.789 2.013 180 H ASP 27 H ASP 27 21.731 -5.065 1.702 181 HA ASP 27 HA ASP 27 22.477 -2.446 2.790 182 HB2 ASP 27 HB1 ASP 27 23.848 -4.852 1.529 183 HB3 ASP 27 HB2 ASP 27 24.685 -3.367 1.993 184 H LEU 28 H LEU 28 20.990 -3.477 0.119 185 HA LEU 28 HA LEU 28 22.001 -1.311 -1.626 186 HB2 LEU 28 HB1 LEU 28 21.628 -2.716 -3.566 187 HB3 LEU 28 HB2 LEU 28 22.753 -3.460 -2.389 188 HG LEU 28 HG LEU 28 20.632 -4.808 -1.624 189 HD11 LEU 28 HD11 LEU 28 19.072 -5.317 -3.507 190 HD12 LEU 28 HD12 LEU 28 19.802 -4.008 -4.459 191 HD13 LEU 28 HD13 LEU 28 18.905 -3.652 -2.971 192 HD21 LEU 28 HD21 LEU 28 21.139 -6.550 -3.302 193 HD22 LEU 28 HD22 LEU 28 22.620 -5.795 -2.695 194 HD23 LEU 28 HD23 LEU 28 21.996 -5.351 -4.298 195 HA PRO 29 HA PRO 29 17.935 0.147 -1.354 196 HB2 PRO 29 HB1 PRO 29 17.527 1.608 -3.618 197 HB3 PRO 29 HB2 PRO 29 18.742 2.047 -2.385 198 HG2 PRO 29 HG1 PRO 29 19.161 0.576 -4.990 199 HG3 PRO 29 HG2 PRO 29 20.151 1.908 -4.302 200 HD2 PRO 29 HD1 PRO 29 20.791 -0.782 -4.096 201 HD3 PRO 29 HD2 PRO 29 21.282 0.401 -2.867 202 H LEU 30 H LEU 30 15.889 -0.432 -1.606 203 HA LEU 30 HA LEU 30 15.189 -2.369 -3.747 204 HB2 LEU 30 HB1 LEU 30 13.938 -1.644 -1.088 205 HB3 LEU 30 HB2 LEU 30 13.024 -2.557 -2.296 206 HG LEU 30 HG LEU 30 15.725 -3.411 -1.268 207 HD11 LEU 30 HD11 LEU 30 14.555 -4.931 0.275 208 HD12 LEU 30 HD12 LEU 30 12.977 -4.401 -0.349 209 HD13 LEU 30 HD13 LEU 30 13.984 -3.277 0.566 210 HD21 LEU 30 HD21 LEU 30 15.055 -5.658 -2.061 211 HD22 LEU 30 HD22 LEU 30 15.140 -4.488 -3.386 212 HD23 LEU 30 HD23 LEU 30 13.560 -4.969 -2.721 213 H ARG 31 H ARG 31 13.393 -2.301 -4.821 214 HA ARG 31 HA ARG 31 12.012 0.306 -5.271 215 HB2 ARG 31 HB1 ARG 31 13.860 0.144 -6.893 216 HB3 ARG 31 HB2 ARG 31 13.232 -1.444 -7.421 217 HG2 ARG 31 HG1 ARG 31 11.584 -0.521 -8.675 218 HG3 ARG 31 HG2 ARG 31 11.271 0.796 -7.525 219 HD2 ARG 31 HD1 ARG 31 12.092 1.507 -9.784 220 HD3 ARG 31 HD2 ARG 31 12.983 2.144 -8.405 221 HE ARG 31 HE ARG 31 13.874 -0.029 -10.266 222 HH11 ARG 31 HH12 ARG 31 14.809 2.362 -7.786 223 HH12 ARG 31 HH11 ARG 31 16.447 2.326 -8.186 224 HH21 ARG 31 HH22 ARG 31 16.116 -0.145 -10.665 225 HH22 ARG 31 HH21 ARG 31 17.181 0.928 -9.794 226 H LEU 32 H LEU 32 10.014 -0.157 -4.731 227 HA LEU 32 HA LEU 32 8.862 -2.853 -5.122 228 HB2 LEU 32 HB1 LEU 32 8.551 -1.796 -2.979 229 HB3 LEU 32 HB2 LEU 32 7.865 -0.338 -3.718 230 HG LEU 32 HG LEU 32 6.433 -2.747 -4.633 231 HD11 LEU 32 HD11 LEU 32 6.305 -2.393 -1.650 232 HD12 LEU 32 HD12 LEU 32 7.260 -3.663 -2.463 233 HD13 LEU 32 HD13 LEU 32 5.501 -3.609 -2.650 234 HD21 LEU 32 HD21 LEU 32 5.416 -0.488 -2.867 235 HD22 LEU 32 HD22 LEU 32 4.498 -1.537 -3.980 236 HD23 LEU 32 HD23 LEU 32 5.617 -0.343 -4.620 237 H VAL 33 H VAL 33 7.918 -3.333 -6.927 238 HA VAL 33 HA VAL 33 6.809 -1.197 -8.717 239 HB VAL 33 HB VAL 33 7.053 -2.852 -10.545 240 HG11 VAL 33 HG11 VAL 33 8.930 -1.302 -10.110 241 HG12 VAL 33 HG12 VAL 33 9.655 -2.471 -8.989 242 HG13 VAL 33 HG13 VAL 33 9.507 -2.856 -10.713 243 HG21 VAL 33 HG21 VAL 33 8.469 -4.659 -8.530 244 HG22 VAL 33 HG22 VAL 33 6.870 -4.981 -9.239 245 HG23 VAL 33 HG23 VAL 33 8.303 -4.934 -10.269 246 H GLY 34 H GLY 34 5.902 -3.943 -6.715 247 HA2 GLY 34 HA3 GLY 34 3.095 -3.555 -7.380 248 HA3 GLY 34 HA2 GLY 34 3.744 -5.140 -7.860 249 H ALA 35 H ALA 35 1.839 -5.529 -6.432 250 HA ALA 35 HA ALA 35 2.957 -6.718 -4.020 251 HB1 ALA 35 HB1 ALA 35 0.464 -4.971 -3.995 252 HB2 ALA 35 HB2 ALA 35 0.798 -6.194 -2.756 253 HB3 ALA 35 HB3 ALA 35 1.919 -4.856 -2.974 254 H ARG 36 H ARG 36 1.106 -8.313 -3.161 255 HA ARG 36 HA ARG 36 -0.843 -9.263 -5.057 256 HB2 ARG 36 HB1 ARG 36 0.907 -10.404 -6.158 257 HB3 ARG 36 HB2 ARG 36 1.715 -10.854 -4.654 258 HG2 ARG 36 HG1 ARG 36 -0.153 -12.404 -4.132 259 HG3 ARG 36 HG2 ARG 36 -0.946 -11.947 -5.655 260 HD2 ARG 36 HD1 ARG 36 1.036 -12.800 -6.910 261 HD3 ARG 36 HD2 ARG 36 1.776 -13.291 -5.365 262 HE ARG 36 HE ARG 36 -0.215 -14.765 -5.046 263 HH11 ARG 36 HH12 ARG 36 0.763 -14.014 -8.361 264 HH12 ARG 36 HH11 ARG 36 -0.145 -15.333 -9.028 265 HH21 ARG 36 HH22 ARG 36 -1.371 -16.432 -5.973 266 HH22 ARG 36 HH21 ARG 36 -1.289 -16.728 -7.686 267 H THR 37 H THR 37 -2.394 -10.543 -3.913 268 HA THR 37 HA THR 37 -1.974 -11.400 -1.155 269 HB THR 37 HB THR 37 -2.167 -9.130 -0.637 270 HG1 THR 37 HG1 THR 37 -3.384 -9.999 0.767 271 HG21 THR 37 HG21 THR 37 -4.651 -8.963 -2.412 272 HG22 THR 37 HG22 THR 37 -3.106 -8.127 -2.697 273 HG23 THR 37 HG23 THR 37 -4.101 -7.690 -1.303 274 HA PRO 38 HA PRO 38 -5.242 -13.954 -2.675 275 HB2 PRO 38 HB1 PRO 38 -6.430 -14.936 -0.403 276 HB3 PRO 38 HB2 PRO 38 -4.801 -15.403 -0.995 277 HG2 PRO 38 HG1 PRO 38 -5.477 -13.403 1.150 278 HG3 PRO 38 HG2 PRO 38 -4.242 -14.712 1.189 279 HD2 PRO 38 HD1 PRO 38 -3.643 -12.103 0.575 280 HD3 PRO 38 HD2 PRO 38 -2.769 -13.445 -0.195 281 H VAL 39 H VAL 39 -5.972 -11.175 -0.823 282 HA VAL 39 HA VAL 39 -8.892 -11.379 -1.462 283 HB VAL 39 HB VAL 39 -9.332 -9.903 0.377 284 HG11 VAL 39 HG11 VAL 39 -8.629 -11.368 2.213 285 HG12 VAL 39 HG12 VAL 39 -9.196 -12.312 0.817 286 HG13 VAL 39 HG13 VAL 39 -7.464 -12.177 1.180 287 HG21 VAL 39 HG21 VAL 39 -6.354 -9.984 0.988 288 HG22 VAL 39 HG22 VAL 39 -7.124 -8.577 0.246 289 HG23 VAL 39 HG23 VAL 39 -7.619 -9.073 1.858 290 H ALA 40 H ALA 40 -7.083 -10.489 -3.499 291 HA ALA 40 HA ALA 40 -8.774 -8.319 -4.412 292 HB1 ALA 40 HB1 ALA 40 -6.997 -7.077 -3.104 293 HB2 ALA 40 HB2 ALA 40 -5.775 -7.757 -4.196 294 HB3 ALA 40 HB3 ALA 40 -7.034 -6.681 -4.829 295 H GLU 41 H GLU 41 -8.851 -8.333 -6.632 296 HA GLU 41 HA GLU 41 -7.567 -10.626 -8.016 297 HB2 GLU 41 HB1 GLU 41 -10.031 -10.214 -7.825 298 HB3 GLU 41 HB2 GLU 41 -9.862 -8.785 -8.828 299 HG2 GLU 41 HG1 GLU 41 -9.518 -10.068 -10.769 300 HG3 GLU 41 HG2 GLU 41 -8.866 -11.455 -9.854 301 H ARG 42 H ARG 42 -8.090 -7.140 -8.240 302 HA ARG 42 HA ARG 42 -5.568 -6.761 -9.798 303 HB2 ARG 42 HB1 ARG 42 -8.001 -4.998 -9.336 304 HB3 ARG 42 HB2 ARG 42 -6.442 -4.332 -9.857 305 HG2 ARG 42 HG1 ARG 42 -6.556 -5.461 -11.955 306 HG3 ARG 42 HG2 ARG 42 -7.899 -6.502 -11.410 307 HD2 ARG 42 HD1 ARG 42 -8.725 -4.744 -12.898 308 HD3 ARG 42 HD2 ARG 42 -9.381 -4.560 -11.256 309 HE ARG 42 HE ARG 42 -7.731 -2.705 -10.914 310 HH11 ARG 42 HH12 ARG 42 -8.307 -3.513 -14.319 311 HH12 ARG 42 HH11 ARG 42 -8.010 -1.862 -14.797 312 HH21 ARG 42 HH22 ARG 42 -7.370 -0.780 -11.564 313 HH22 ARG 42 HH21 ARG 42 -7.418 -0.288 -13.243 314 H VAL 43 H VAL 43 -3.953 -6.146 -8.524 315 HA VAL 43 HA VAL 43 -4.541 -4.329 -6.265 316 HB VAL 43 HB VAL 43 -3.480 -6.331 -5.319 317 HG11 VAL 43 HG11 VAL 43 -0.902 -5.558 -6.770 318 HG12 VAL 43 HG12 VAL 43 -1.230 -6.915 -5.674 319 HG13 VAL 43 HG13 VAL 43 -1.969 -6.893 -7.276 320 HG21 VAL 43 HG21 VAL 43 -3.230 -4.057 -4.293 321 HG22 VAL 43 HG22 VAL 43 -1.908 -5.167 -3.910 322 HG23 VAL 43 HG23 VAL 43 -1.661 -3.890 -5.113 323 H GLU 44 H GLU 44 -3.568 -2.429 -6.376 324 HA GLU 44 HA GLU 44 -1.900 -1.704 -8.749 325 HB2 GLU 44 HB1 GLU 44 -4.358 -0.329 -7.578 326 HB3 GLU 44 HB2 GLU 44 -3.306 0.384 -8.820 327 HG2 GLU 44 HG1 GLU 44 -3.960 -1.239 -10.440 328 HG3 GLU 44 HG2 GLU 44 -4.738 -2.269 -9.222 329 H LEU 45 H LEU 45 -0.649 0.226 -8.387 330 HA LEU 45 HA LEU 45 -0.117 0.840 -5.506 331 HB2 LEU 45 HB1 LEU 45 1.677 -0.398 -6.671 332 HB3 LEU 45 HB2 LEU 45 1.719 0.855 -7.935 333 HG LEU 45 HG LEU 45 2.337 2.526 -6.111 334 HD11 LEU 45 HD11 LEU 45 2.773 -0.003 -4.478 335 HD12 LEU 45 HD12 LEU 45 1.570 1.258 -4.118 336 HD13 LEU 45 HD13 LEU 45 3.296 1.627 -4.021 337 HD21 LEU 45 HD21 LEU 45 3.950 1.474 -7.679 338 HD22 LEU 45 HD22 LEU 45 4.165 0.121 -6.544 339 HD23 LEU 45 HD23 LEU 45 4.684 1.765 -6.095 340 H HIS 46 H HIS 46 -0.676 2.812 -4.896 341 HA HIS 46 HA HIS 46 -0.901 5.009 -6.907 342 HB2 HIS 46 HB1 HIS 46 -2.652 4.249 -4.531 343 HB3 HIS 46 HB2 HIS 46 -2.814 5.779 -5.412 344 HD2 HIS 46 HD2 HIS 46 -2.504 3.202 -8.049 345 HE1 HIS 46 HE1 HIS 46 -6.631 3.244 -7.069 346 HE2 HIS 46 HE2 HIS 46 -4.922 2.416 -8.785 347 H GLU 47 H GLU 47 -0.889 7.019 -6.207 348 HA GLU 47 HA GLU 47 0.447 7.799 -3.650 349 HB2 GLU 47 HB1 GLU 47 1.005 9.890 -4.740 350 HB3 GLU 47 HB2 GLU 47 1.604 8.496 -5.692 351 HG2 GLU 47 HG1 GLU 47 -0.079 8.747 -7.327 352 HG3 GLU 47 HG2 GLU 47 -0.960 9.942 -6.362 353 H THR 48 H THR 48 -0.515 9.475 -2.428 354 HA THR 48 HA THR 48 -3.130 10.621 -3.295 355 HB THR 48 HB THR 48 -2.209 10.014 -0.466 356 HG1 THR 48 HG1 THR 48 -3.948 8.682 -0.374 357 HG21 THR 48 HG21 THR 48 -4.753 11.383 -1.432 358 HG22 THR 48 HG22 THR 48 -3.469 12.115 -0.442 359 HG23 THR 48 HG23 THR 48 -4.471 10.827 0.232 360 H PHE 49 H PHE 49 -3.089 12.950 -3.002 361 HA PHE 49 HA PHE 49 -0.717 14.266 -1.863 362 HB2 PHE 49 HB1 PHE 49 -0.060 15.322 -3.973 363 HB3 PHE 49 HB2 PHE 49 0.102 13.564 -4.051 364 HD1 PHE 49 HD1 PHE 49 -1.519 12.208 -5.392 365 HD2 PHE 49 HD2 PHE 49 -1.594 16.522 -5.425 366 HE1 PHE 49 HE1 PHE 49 -2.991 12.165 -7.334 367 HE2 PHE 49 HE2 PHE 49 -3.050 16.478 -7.422 368 HZ PHE 49 HZ PHE 49 -3.774 14.276 -8.395 369 H MET 50 H MET 50 -0.798 16.720 -2.615 370 HA MET 50 HA MET 50 -3.535 17.739 -2.029 371 HB2 MET 50 HB1 MET 50 -1.915 18.050 -0.217 372 HB3 MET 50 HB2 MET 50 -0.776 18.832 -1.334 373 HG2 MET 50 HG1 MET 50 -2.380 20.625 -1.753 374 HG3 MET 50 HG2 MET 50 -3.586 19.801 -0.751 375 HE1 MET 50 HE1 MET 50 0.404 20.471 0.368 376 HE2 MET 50 HE2 MET 50 -0.196 21.382 -1.036 377 HE3 MET 50 HE3 MET 50 0.092 22.212 0.507 378 H ARG 51 H ARG 51 -4.429 19.106 -3.391 379 HA ARG 51 HA ARG 51 -2.783 20.686 -5.329 380 HB2 ARG 51 HB1 ARG 51 -5.679 19.792 -5.448 381 HB3 ARG 51 HB2 ARG 51 -5.042 21.168 -6.388 382 HG2 ARG 51 HG1 ARG 51 -3.277 19.496 -7.270 383 HG3 ARG 51 HG2 ARG 51 -4.336 18.230 -6.605 384 HD2 ARG 51 HD1 ARG 51 -4.866 18.542 -8.960 385 HD3 ARG 51 HD2 ARG 51 -6.221 19.151 -7.987 386 HE ARG 51 HE ARG 51 -5.264 21.440 -8.346 387 HH11 ARG 51 HH12 ARG 51 -4.485 18.990 -10.780 388 HH12 ARG 51 HH11 ARG 51 -4.063 20.192 -11.965 389 HH21 ARG 51 HH22 ARG 51 -4.697 22.906 -9.856 390 HH22 ARG 51 HH21 ARG 51 -4.234 22.402 -11.458 391 H GLU 52 H GLU 52 -2.919 22.926 -5.165 392 HA GLU 52 HA GLU 52 -4.943 24.248 -3.507 393 HB2 GLU 52 HB1 GLU 52 -2.473 24.926 -3.691 394 HB3 GLU 52 HB2 GLU 52 -2.793 25.295 -5.400 395 HG2 GLU 52 HG1 GLU 52 -3.074 27.361 -4.443 396 HG3 GLU 52 HG2 GLU 52 -4.735 26.798 -4.402 397 H VAL 53 H VAL 53 -6.717 25.154 -4.575 398 HA VAL 53 HA VAL 53 -6.504 25.901 -7.436 399 HB VAL 53 HB VAL 53 -8.933 24.420 -6.287 400 HG11 VAL 53 HG11 VAL 53 -9.836 24.624 -8.624 401 HG12 VAL 53 HG12 VAL 53 -9.684 26.169 -7.799 402 HG13 VAL 53 HG13 VAL 53 -8.477 25.699 -9.023 403 HG21 VAL 53 HG21 VAL 53 -7.001 23.561 -8.485 404 HG22 VAL 53 HG22 VAL 53 -7.231 22.780 -6.901 405 HG23 VAL 53 HG23 VAL 53 -8.528 22.747 -8.088 406 H GLU 54 H GLU 54 -6.933 28.098 -7.420 407 HA GLU 54 HA GLU 54 -7.639 30.170 -6.815 408 HB2 GLU 54 HB1 GLU 54 -9.952 28.680 -5.542 409 HB3 GLU 54 HB2 GLU 54 -9.925 30.428 -5.868 410 HG2 GLU 54 HG1 GLU 54 -10.084 30.118 -8.207 411 HG3 GLU 54 HG2 GLU 54 -9.790 28.373 -8.083 412 H GLY 55 H GLY 55 -6.008 28.605 -4.712 413 HA2 GLY 55 HA3 GLY 55 -5.125 29.169 -2.599 414 HA3 GLY 55 HA2 GLY 55 -6.319 30.480 -2.460 415 H LYS 56 H LYS 56 -7.356 27.280 -3.282 416 HA LYS 56 HA LYS 56 -8.490 26.745 -0.598 417 HB2 LYS 56 HB1 LYS 56 -9.832 25.934 -3.187 418 HB3 LYS 56 HB2 LYS 56 -10.508 25.901 -1.551 419 HG2 LYS 56 HG1 LYS 56 -10.801 28.296 -1.550 420 HG3 LYS 56 HG2 LYS 56 -9.851 28.478 -3.050 421 HD2 LYS 56 HD1 LYS 56 -11.546 27.062 -4.237 422 HD3 LYS 56 HD2 LYS 56 -12.558 27.116 -2.789 423 HE2 LYS 56 HE1 LYS 56 -12.791 29.536 -2.977 424 HE3 LYS 56 HE2 LYS 56 -11.494 29.589 -4.216 425 HZ1 LYS 56 HZ1 LYS 56 -14.241 28.540 -4.589 426 HZ2 LYS 56 HZ2 LYS 56 -12.981 28.196 -5.603 427 HZ3 LYS 56 HZ3 LYS 56 -13.401 29.692 -5.479 428 H LYS 57 H LYS 57 -7.811 24.888 0.120 429 HA LYS 57 HA LYS 57 -6.167 23.138 -1.554 430 HB2 LYS 57 HB1 LYS 57 -6.389 23.424 1.471 431 HB3 LYS 57 HB2 LYS 57 -5.293 22.286 0.633 432 HG2 LYS 57 HG1 LYS 57 -4.374 24.145 -0.684 433 HG3 LYS 57 HG2 LYS 57 -5.419 25.286 0.206 434 HD2 LYS 57 HD1 LYS 57 -4.098 24.989 2.232 435 HD3 LYS 57 HD2 LYS 57 -3.064 23.800 1.390 436 HE2 LYS 57 HE1 LYS 57 -2.538 25.371 -0.366 437 HE3 LYS 57 HE2 LYS 57 -3.750 26.534 0.194 438 HZ1 LYS 57 HZ1 LYS 57 -2.331 27.002 2.051 439 HZ2 LYS 57 HZ2 LYS 57 -1.575 27.215 0.604 440 HZ3 LYS 57 HZ3 LYS 57 -1.205 25.891 1.521 441 H VAL 58 H VAL 58 -6.618 21.275 -2.222 442 HA VAL 58 HA VAL 58 -8.697 19.527 -1.009 443 HB VAL 58 HB VAL 58 -9.818 20.949 -2.695 444 HG11 VAL 58 HG11 VAL 58 -8.034 19.661 -4.802 445 HG12 VAL 58 HG12 VAL 58 -9.372 20.786 -5.074 446 HG13 VAL 58 HG13 VAL 58 -7.909 21.347 -4.253 447 HG21 VAL 58 HG21 VAL 58 -9.619 18.057 -3.626 448 HG22 VAL 58 HG22 VAL 58 -10.596 18.630 -2.256 449 HG23 VAL 58 HG23 VAL 58 -10.960 19.184 -3.899 450 H MET 59 H MET 59 -8.355 17.304 -1.399 451 HA MET 59 HA MET 59 -5.591 16.662 -2.289 452 HB2 MET 59 HB1 MET 59 -7.581 15.154 -0.588 453 HB3 MET 59 HB2 MET 59 -6.064 14.431 -1.202 454 HG2 MET 59 HG1 MET 59 -4.814 16.337 -0.165 455 HG3 MET 59 HG2 MET 59 -6.307 16.857 0.612 456 HE1 MET 59 HE1 MET 59 -6.900 16.081 3.060 457 HE2 MET 59 HE2 MET 59 -7.815 15.072 1.915 458 HE3 MET 59 HE3 MET 59 -7.028 14.329 3.322 459 H GLY 60 H GLY 60 -5.099 14.806 -3.465 460 HA2 GLY 60 HA3 GLY 60 -7.146 13.766 -5.340 461 HA3 GLY 60 HA2 GLY 60 -5.636 14.444 -5.987 462 H MET 61 H MET 61 -6.198 11.901 -6.630 463 HA MET 61 HA MET 61 -4.024 10.348 -5.390 464 HB2 MET 61 HB1 MET 61 -5.917 9.620 -4.107 465 HB3 MET 61 HB2 MET 61 -6.953 9.562 -5.549 466 HG2 MET 61 HG1 MET 61 -5.463 7.702 -6.388 467 HG3 MET 61 HG2 MET 61 -4.714 7.678 -4.794 468 HE1 MET 61 HE1 MET 61 -6.873 7.926 -2.693 469 HE2 MET 61 HE2 MET 61 -8.214 8.454 -3.739 470 HE3 MET 61 HE3 MET 61 -8.335 6.914 -2.850 471 H ARG 62 H ARG 62 -3.080 8.911 -6.767 472 HA ARG 62 HA ARG 62 -4.073 8.559 -9.532 473 HB2 ARG 62 HB1 ARG 62 -1.539 10.049 -8.781 474 HB3 ARG 62 HB2 ARG 62 -1.706 9.238 -10.351 475 HG2 ARG 62 HG1 ARG 62 -3.767 10.649 -10.746 476 HG3 ARG 62 HG2 ARG 62 -3.336 11.583 -9.309 477 HD2 ARG 62 HD1 ARG 62 -1.680 11.263 -11.835 478 HD3 ARG 62 HD2 ARG 62 -2.518 12.729 -11.283 479 HE ARG 62 HE ARG 62 -0.755 12.018 -9.205 480 HH11 ARG 62 HH12 ARG 62 -0.210 12.970 -12.572 481 HH12 ARG 62 HH11 ARG 62 1.476 13.288 -12.239 482 HH21 ARG 62 HH22 ARG 62 1.272 12.310 -8.904 483 HH22 ARG 62 HH21 ARG 62 2.333 12.957 -10.134 484 HA PRO 63 HA PRO 63 -1.557 4.829 -8.874 485 HB2 PRO 63 HB1 PRO 63 -1.290 3.816 -11.351 486 HB3 PRO 63 HB2 PRO 63 -2.881 3.843 -10.532 487 HG2 PRO 63 HG1 PRO 63 -1.802 5.838 -12.548 488 HG3 PRO 63 HG2 PRO 63 -3.407 5.022 -12.548 489 HD2 PRO 63 HD1 PRO 63 -3.001 7.558 -11.530 490 HD3 PRO 63 HD2 PRO 63 -4.213 6.433 -10.850 491 H VAL 64 H VAL 64 0.632 4.116 -9.173 492 HA VAL 64 HA VAL 64 2.463 5.928 -10.665 493 HB VAL 64 HB VAL 64 4.061 5.963 -8.781 494 HG11 VAL 64 HG11 VAL 64 2.998 7.684 -7.492 495 HG12 VAL 64 HG12 VAL 64 2.460 7.835 -9.169 496 HG13 VAL 64 HG13 VAL 64 1.381 7.113 -7.952 497 HG21 VAL 64 HG21 VAL 64 1.845 4.754 -7.088 498 HG22 VAL 64 HG22 VAL 64 3.400 3.993 -7.516 499 HG23 VAL 64 HG23 VAL 64 3.370 5.430 -6.490 500 HA PRO 65 HA PRO 65 4.126 2.165 -12.048 501 HB2 PRO 65 HB1 PRO 65 6.599 2.767 -12.920 502 HB3 PRO 65 HB2 PRO 65 5.144 3.551 -13.607 503 HG2 PRO 65 HG1 PRO 65 6.994 4.628 -11.461 504 HG3 PRO 65 HG2 PRO 65 6.410 5.467 -12.942 505 HD2 PRO 65 HD1 PRO 65 5.216 5.774 -10.485 506 HD3 PRO 65 HD2 PRO 65 4.285 5.811 -12.002 507 H PHE 66 H PHE 66 5.934 3.618 -9.415 508 HA PHE 66 HA PHE 66 6.283 1.195 -8.012 509 HB2 PHE 66 HB1 PHE 66 8.709 0.928 -8.080 510 HB3 PHE 66 HB2 PHE 66 8.012 0.657 -9.667 511 HD1 PHE 66 HD1 PHE 66 10.009 2.919 -7.571 512 HD2 PHE 66 HD2 PHE 66 8.413 2.212 -11.486 513 HE1 PHE 66 HE1 PHE 66 11.381 4.773 -8.400 514 HE2 PHE 66 HE2 PHE 66 9.897 4.036 -12.404 515 HZ PHE 66 HZ PHE 66 11.372 5.321 -10.859 516 H LEU 67 H LEU 67 7.624 1.472 -6.083 517 HA LEU 67 HA LEU 67 8.168 4.300 -5.250 518 HB2 LEU 67 HB1 LEU 67 7.696 1.881 -3.452 519 HB3 LEU 67 HB2 LEU 67 8.004 3.532 -2.911 520 HG LEU 67 HG LEU 67 5.504 2.335 -4.113 521 HD11 LEU 67 HD11 LEU 67 4.476 3.178 -2.050 522 HD12 LEU 67 HD12 LEU 67 6.022 3.920 -1.571 523 HD13 LEU 67 HD13 LEU 67 5.873 2.149 -1.676 524 HD21 LEU 67 HD21 LEU 67 5.723 4.487 -5.260 525 HD22 LEU 67 HD22 LEU 67 6.023 5.309 -3.712 526 HD23 LEU 67 HD23 LEU 67 4.442 4.566 -4.057 527 H GLU 68 H GLU 68 10.119 4.618 -4.048 528 HA GLU 68 HA GLU 68 12.287 2.591 -4.517 529 HB2 GLU 68 HB1 GLU 68 12.447 4.760 -5.839 530 HB3 GLU 68 HB2 GLU 68 12.480 5.634 -4.286 531 HG2 GLU 68 HG1 GLU 68 14.727 5.484 -4.884 532 HG3 GLU 68 HG2 GLU 68 14.556 4.193 -3.706 533 H VAL 69 H VAL 69 13.557 2.075 -2.734 534 HA VAL 69 HA VAL 69 13.446 3.902 -0.453 535 HB VAL 69 HB VAL 69 13.053 0.861 -0.187 536 HG11 VAL 69 HG11 VAL 69 12.753 1.225 2.244 537 HG12 VAL 69 HG12 VAL 69 14.375 1.660 1.728 538 HG13 VAL 69 HG13 VAL 69 13.184 2.930 2.050 539 HG21 VAL 69 HG21 VAL 69 10.879 1.534 0.931 540 HG22 VAL 69 HG22 VAL 69 11.166 3.189 0.398 541 HG23 VAL 69 HG23 VAL 69 10.937 1.884 -0.796 542 HA PRO 70 HA PRO 70 17.830 2.972 -0.482 543 HB2 PRO 70 HB1 PRO 70 18.708 4.557 1.528 544 HB3 PRO 70 HB2 PRO 70 18.026 5.243 0.022 545 HG2 PRO 70 HG1 PRO 70 16.590 4.761 2.653 546 HG3 PRO 70 HG2 PRO 70 16.629 6.275 1.678 547 HD2 PRO 70 HD1 PRO 70 14.587 4.453 1.494 548 HD3 PRO 70 HD2 PRO 70 15.162 5.379 0.075 549 HA PRO 71 HA PRO 71 18.445 -0.331 2.286 550 HB2 PRO 71 HB1 PRO 71 21.141 -0.346 2.832 551 HB3 PRO 71 HB2 PRO 71 20.387 -0.846 1.285 552 HG2 PRO 71 HG1 PRO 71 21.591 1.840 1.988 553 HG3 PRO 71 HG2 PRO 71 21.866 0.855 0.506 554 HD2 PRO 71 HD1 PRO 71 20.094 2.913 0.519 555 HD3 PRO 71 HD2 PRO 71 19.725 1.391 -0.344 556 H LYS 72 H LYS 72 18.435 -0.970 4.317 557 HA LYS 72 HA LYS 72 18.184 -0.966 6.532 558 HB2 LYS 72 HB1 LYS 72 19.999 1.448 6.712 559 HB3 LYS 72 HB2 LYS 72 19.673 0.236 7.969 560 HG2 LYS 72 HG1 LYS 72 21.171 -0.206 5.361 561 HG3 LYS 72 HG2 LYS 72 21.862 -0.069 6.989 562 HD2 LYS 72 HD1 LYS 72 20.799 -2.183 7.645 563 HD3 LYS 72 HD2 LYS 72 19.956 -2.277 6.073 564 HE2 LYS 72 HE1 LYS 72 22.129 -2.326 4.915 565 HE3 LYS 72 HE2 LYS 72 22.985 -2.329 6.456 566 HZ1 LYS 72 HZ1 LYS 72 21.070 -4.412 5.560 567 HZ2 LYS 72 HZ2 LYS 72 21.976 -4.472 6.928 568 HZ3 LYS 72 HZ3 LYS 72 22.700 -4.524 5.449 569 H GLY 73 H GLY 73 16.999 1.422 4.712 570 HA2 GLY 73 HA3 GLY 73 15.594 2.997 6.714 571 HA3 GLY 73 HA2 GLY 73 15.289 2.985 4.962 572 H ARG 74 H ARG 74 13.462 3.068 7.213 573 HA ARG 74 HA ARG 74 11.538 0.947 6.352 574 HB2 ARG 74 HB1 ARG 74 11.995 2.378 8.948 575 HB3 ARG 74 HB2 ARG 74 10.308 2.230 8.455 576 HG2 ARG 74 HG1 ARG 74 11.956 -0.268 8.431 577 HG3 ARG 74 HG2 ARG 74 11.569 0.451 10.015 578 HD2 ARG 74 HD1 ARG 74 9.129 0.520 8.928 579 HD3 ARG 74 HD2 ARG 74 9.813 -0.862 8.055 580 HE ARG 74 HE ARG 74 10.123 -1.993 10.186 581 HH11 ARG 74 HH12 ARG 74 7.823 0.818 10.421 582 HH12 ARG 74 HH11 ARG 74 7.150 0.105 11.867 583 HH21 ARG 74 HH22 ARG 74 9.072 -2.651 12.037 584 HH22 ARG 74 HH21 ARG 74 7.744 -1.669 12.676 585 H VAL 75 H VAL 75 9.912 1.867 5.080 586 HA VAL 75 HA VAL 75 9.374 4.826 5.178 587 HB VAL 75 HB VAL 75 10.059 3.228 2.670 588 HG11 VAL 75 HG11 VAL 75 9.032 6.097 2.922 589 HG12 VAL 75 HG12 VAL 75 9.676 5.374 1.432 590 HG13 VAL 75 HG13 VAL 75 8.189 4.743 2.137 591 HG21 VAL 75 HG21 VAL 75 11.833 4.953 2.356 592 HG22 VAL 75 HG22 VAL 75 11.402 5.668 3.923 593 HG23 VAL 75 HG23 VAL 75 12.072 4.025 3.840 594 H GLU 76 H GLU 76 7.187 5.087 5.431 595 HA GLU 76 HA GLU 76 5.612 2.651 4.886 596 HB2 GLU 76 HB1 GLU 76 4.675 4.444 7.027 597 HB3 GLU 76 HB2 GLU 76 4.700 2.656 6.865 598 HG2 GLU 76 HG1 GLU 76 7.298 3.008 7.124 599 HG3 GLU 76 HG2 GLU 76 6.853 4.512 7.903 600 H LEU 77 H LEU 77 3.887 2.499 3.841 601 HA LEU 77 HA LEU 77 2.930 4.613 2.161 602 HB2 LEU 77 HB1 LEU 77 2.139 1.721 2.608 603 HB3 LEU 77 HB2 LEU 77 1.288 2.809 1.484 604 HG LEU 77 HG LEU 77 3.731 3.150 0.492 605 HD11 LEU 77 HD11 LEU 77 4.927 1.674 2.105 606 HD12 LEU 77 HD12 LEU 77 5.024 1.048 0.454 607 HD13 LEU 77 HD13 LEU 77 3.898 0.308 1.601 608 HD21 LEU 77 HD21 LEU 77 1.917 2.374 -0.855 609 HD22 LEU 77 HD22 LEU 77 1.860 0.814 -0.006 610 HD23 LEU 77 HD23 LEU 77 3.222 1.210 -1.078 611 H LYS 78 H LYS 78 2.451 6.061 3.826 612 HA LYS 78 HA LYS 78 0.304 5.893 5.614 613 HB2 LYS 78 HB1 LYS 78 0.449 8.465 5.494 614 HB3 LYS 78 HB2 LYS 78 1.939 7.570 5.913 615 HG2 LYS 78 HG1 LYS 78 2.760 7.813 3.630 616 HG3 LYS 78 HG2 LYS 78 1.292 8.648 3.129 617 HD2 LYS 78 HD1 LYS 78 3.127 9.703 5.310 618 HD3 LYS 78 HD2 LYS 78 3.358 10.067 3.583 619 HE2 LYS 78 HE1 LYS 78 0.602 10.539 4.223 620 HE3 LYS 78 HE2 LYS 78 1.554 11.291 5.510 621 HZ1 LYS 78 HZ1 LYS 78 2.738 12.541 3.789 622 HZ2 LYS 78 HZ2 LYS 78 1.105 12.745 3.579 623 HZ3 LYS 78 HZ3 LYS 78 1.897 11.749 2.598 624 HA PRO 79 HA PRO 79 -3.421 6.269 3.183 625 HB2 PRO 79 HB1 PRO 79 -5.067 7.679 4.918 626 HB3 PRO 79 HB2 PRO 79 -4.731 5.927 5.029 627 HG2 PRO 79 HG1 PRO 79 -3.390 8.164 6.540 628 HG3 PRO 79 HG2 PRO 79 -3.998 6.589 7.171 629 HD2 PRO 79 HD1 PRO 79 -1.369 6.940 6.608 630 HD3 PRO 79 HD2 PRO 79 -2.188 5.406 6.187 631 H GLY 80 H GLY 80 -2.425 9.297 4.817 632 HA2 GLY 80 HA3 GLY 80 -3.357 11.004 2.668 633 HA3 GLY 80 HA2 GLY 80 -2.334 11.468 4.047 634 H GLY 81 H GLY 81 -1.503 8.875 1.766 635 HA2 GLY 81 HA3 GLY 81 -0.036 10.396 -0.115 636 HA3 GLY 81 HA2 GLY 81 1.102 9.766 1.098 637 H TYR 82 H TYR 82 2.175 8.087 0.104 638 HA TYR 82 HA TYR 82 0.974 6.621 -2.019 639 HB2 TYR 82 HB1 TYR 82 3.428 5.992 -0.347 640 HB3 TYR 82 HB2 TYR 82 2.961 5.128 -1.832 641 HD1 TYR 82 HD1 TYR 82 2.667 6.479 -3.972 642 HD2 TYR 82 HD2 TYR 82 4.799 7.931 -0.518 643 HE1 TYR 82 HE1 TYR 82 3.756 8.179 -5.371 644 HE2 TYR 82 HE2 TYR 82 5.892 9.664 -1.929 645 HH TYR 82 HH TYR 82 5.098 10.039 -5.400 646 H HIS 83 H HIS 83 0.153 4.637 -2.204 647 HA HIS 83 HA HIS 83 -0.232 2.787 0.016 648 HB2 HIS 83 HB1 HIS 83 -2.594 3.031 0.294 649 HB3 HIS 83 HB2 HIS 83 -1.766 4.537 0.701 650 HD1 HIS 83 HD1 HIS 83 -2.064 6.559 -1.228 651 HD2 HIS 83 HD2 HIS 83 -4.414 3.078 -1.618 652 HE1 HIS 83 HE1 HIS 83 -3.774 7.044 -3.038 653 H PHE 84 H PHE 84 -1.460 0.859 -0.605 654 HA PHE 84 HA PHE 84 -1.461 0.391 -3.545 655 HB2 PHE 84 HB1 PHE 84 -2.092 -1.426 -1.195 656 HB3 PHE 84 HB2 PHE 84 -2.151 -1.915 -2.899 657 HD1 PHE 84 HD1 PHE 84 -0.093 -2.026 -4.261 658 HD2 PHE 84 HD2 PHE 84 0.033 -1.128 -0.053 659 HE1 PHE 84 HE1 PHE 84 2.310 -2.583 -4.216 660 HE2 PHE 84 HE2 PHE 84 2.447 -1.714 0.006 661 HZ PHE 84 HZ PHE 84 3.595 -2.420 -2.063 662 H MET 85 H MET 85 -3.383 -0.214 -4.651 663 HA MET 85 HA MET 85 -6.014 0.270 -3.279 664 HB2 MET 85 HB1 MET 85 -5.221 1.678 -5.427 665 HB3 MET 85 HB2 MET 85 -6.011 0.300 -6.220 666 HG2 MET 85 HG1 MET 85 -7.727 1.873 -5.902 667 HG3 MET 85 HG2 MET 85 -7.980 0.668 -4.638 668 HE1 MET 85 HE1 MET 85 -9.311 3.931 -2.993 669 HE2 MET 85 HE2 MET 85 -9.607 2.960 -4.457 670 HE3 MET 85 HE3 MET 85 -9.458 2.162 -2.877 671 H LEU 86 H LEU 86 -7.314 -1.450 -3.186 672 HA LEU 86 HA LEU 86 -6.550 -3.988 -4.611 673 HB2 LEU 86 HB1 LEU 86 -7.748 -3.377 -1.890 674 HB3 LEU 86 HB2 LEU 86 -7.917 -4.975 -2.659 675 HG LEU 86 HG LEU 86 -5.459 -5.250 -2.610 676 HD11 LEU 86 HD11 LEU 86 -4.571 -2.990 -2.598 677 HD12 LEU 86 HD12 LEU 86 -4.107 -3.765 -1.093 678 HD13 LEU 86 HD13 LEU 86 -5.446 -2.598 -1.099 679 HD21 LEU 86 HD21 LEU 86 -5.327 -5.607 -0.165 680 HD22 LEU 86 HD22 LEU 86 -6.918 -6.082 -0.778 681 HD23 LEU 86 HD23 LEU 86 -6.725 -4.536 0.075 682 H LEU 87 H LEU 87 -7.967 -4.474 -6.205 683 HA LEU 87 HA LEU 87 -10.852 -3.700 -5.897 684 HB2 LEU 87 HB1 LEU 87 -8.960 -3.420 -8.212 685 HB3 LEU 87 HB2 LEU 87 -10.650 -3.884 -8.548 686 HG LEU 87 HG LEU 87 -11.377 -1.825 -7.309 687 HD11 LEU 87 HD11 LEU 87 -9.406 -1.215 -6.005 688 HD12 LEU 87 HD12 LEU 87 -9.712 0.062 -7.173 689 HD13 LEU 87 HD13 LEU 87 -8.412 -1.110 -7.476 690 HD21 LEU 87 HD21 LEU 87 -10.960 -0.333 -9.197 691 HD22 LEU 87 HD22 LEU 87 -11.332 -1.965 -9.762 692 HD23 LEU 87 HD23 LEU 87 -9.649 -1.391 -9.771 693 H GLY 88 H GLY 88 -12.335 -5.262 -6.211 694 HA2 GLY 88 HA3 GLY 88 -13.246 -7.313 -6.795 695 HA3 GLY 88 HA2 GLY 88 -11.722 -7.751 -7.602 696 H LEU 89 H LEU 89 -12.002 -6.745 -4.223 697 HA LEU 89 HA LEU 89 -10.535 -8.735 -3.079 698 HB2 LEU 89 HB1 LEU 89 -11.779 -8.150 -0.923 699 HB3 LEU 89 HB2 LEU 89 -10.858 -6.892 -1.771 700 HG LEU 89 HG LEU 89 -12.960 -5.944 -2.627 701 HD11 LEU 89 HD11 LEU 89 -15.152 -6.705 -1.627 702 HD12 LEU 89 HD12 LEU 89 -14.322 -8.159 -1.034 703 HD13 LEU 89 HD13 LEU 89 -14.458 -7.835 -2.782 704 HD21 LEU 89 HD21 LEU 89 -13.742 -4.973 -0.568 705 HD22 LEU 89 HD22 LEU 89 -11.994 -5.206 -0.462 706 HD23 LEU 89 HD23 LEU 89 -13.099 -6.332 0.371 707 H LYS 90 H LYS 90 -10.818 -10.292 -1.595 708 HA LYS 90 HA LYS 90 -13.032 -12.192 -2.295 709 HB2 LYS 90 HB1 LYS 90 -10.226 -13.004 -1.620 710 HB3 LYS 90 HB2 LYS 90 -11.543 -14.017 -2.248 711 HG2 LYS 90 HG1 LYS 90 -10.073 -11.815 -3.743 712 HG3 LYS 90 HG2 LYS 90 -9.905 -13.579 -3.956 713 HD2 LYS 90 HD1 LYS 90 -12.143 -13.745 -4.854 714 HD3 LYS 90 HD2 LYS 90 -12.425 -12.014 -4.551 715 HE2 LYS 90 HE1 LYS 90 -10.481 -11.516 -6.083 716 HE3 LYS 90 HE2 LYS 90 -10.445 -13.220 -6.537 717 HZ1 LYS 90 HZ1 LYS 90 -12.494 -11.184 -7.099 718 HZ2 LYS 90 HZ2 LYS 90 -12.925 -12.789 -7.114 719 HZ3 LYS 90 HZ3 LYS 90 -11.807 -12.207 -8.137 720 H ARG 91 H ARG 91 -11.442 -10.660 0.303 721 HA ARG 91 HA ARG 91 -13.076 -12.214 2.273 722 HB2 ARG 91 HB1 ARG 91 -10.660 -10.462 2.666 723 HB3 ARG 91 HB2 ARG 91 -11.915 -10.556 3.940 724 HG2 ARG 91 HG1 ARG 91 -11.646 -12.998 4.042 725 HG3 ARG 91 HG2 ARG 91 -10.360 -12.917 2.826 726 HD2 ARG 91 HD1 ARG 91 -9.055 -11.429 4.327 727 HD3 ARG 91 HD2 ARG 91 -10.325 -11.496 5.540 728 HE ARG 91 HE ARG 91 -8.231 -13.391 5.063 729 HH11 ARG 91 HH12 ARG 91 -11.420 -13.053 6.598 730 HH12 ARG 91 HH11 ARG 91 -11.041 -14.320 7.744 731 HH21 ARG 91 HH22 ARG 91 -7.901 -15.015 6.465 732 HH22 ARG 91 HH21 ARG 91 -8.954 -15.284 7.778 733 HA PRO 92 HA PRO 92 -15.722 -8.630 1.827 734 HB2 PRO 92 HB1 PRO 92 -17.683 -9.199 3.584 735 HB3 PRO 92 HB2 PRO 92 -17.345 -10.300 2.211 736 HG2 PRO 92 HG1 PRO 92 -16.345 -10.551 5.069 737 HG3 PRO 92 HG2 PRO 92 -17.170 -11.806 4.075 738 HD2 PRO 92 HD1 PRO 92 -14.425 -11.609 4.293 739 HD3 PRO 92 HD2 PRO 92 -15.240 -12.199 2.815 740 H LEU 93 H LEU 93 -13.527 -7.741 2.848 741 HA LEU 93 HA LEU 93 -12.489 -7.551 5.088 742 HB2 LEU 93 HB1 LEU 93 -13.049 -5.044 3.491 743 HB3 LEU 93 HB2 LEU 93 -11.788 -5.167 4.731 744 HG LEU 93 HG LEU 93 -11.910 -6.814 2.171 745 HD11 LEU 93 HD11 LEU 93 -10.080 -5.401 1.398 746 HD12 LEU 93 HD12 LEU 93 -10.073 -4.510 2.936 747 HD13 LEU 93 HD13 LEU 93 -11.467 -4.382 1.843 748 HD21 LEU 93 HD21 LEU 93 -10.711 -8.039 3.949 749 HD22 LEU 93 HD22 LEU 93 -9.710 -6.599 4.252 750 HD23 LEU 93 HD23 LEU 93 -9.594 -7.461 2.704 751 H LYS 94 H LYS 94 -13.327 -7.861 6.969 752 HA LYS 94 HA LYS 94 -14.571 -5.517 8.330 753 HB2 LYS 94 HB1 LYS 94 -14.853 -8.485 8.958 754 HB3 LYS 94 HB2 LYS 94 -15.519 -7.200 9.976 755 HG2 LYS 94 HG1 LYS 94 -16.326 -7.811 7.113 756 HG3 LYS 94 HG2 LYS 94 -17.239 -8.244 8.578 757 HD2 LYS 94 HD1 LYS 94 -17.936 -6.084 8.957 758 HD3 LYS 94 HD2 LYS 94 -16.552 -5.358 8.125 759 HE2 LYS 94 HE1 LYS 94 -18.705 -6.834 6.614 760 HE3 LYS 94 HE2 LYS 94 -18.825 -5.102 7.023 761 HZ1 LYS 94 HZ1 LYS 94 -17.829 -5.306 4.851 762 HZ2 LYS 94 HZ2 LYS 94 -16.743 -6.405 5.382 763 HZ3 LYS 94 HZ3 LYS 94 -16.588 -4.894 5.874 764 H ALA 95 H ALA 95 -14.253 -5.212 10.512 765 HA ALA 95 HA ALA 95 -11.581 -5.060 11.417 766 HB1 ALA 95 HB1 ALA 95 -13.343 -3.532 12.178 767 HB2 ALA 95 HB2 ALA 95 -14.244 -4.899 12.905 768 HB3 ALA 95 HB3 ALA 95 -12.657 -4.416 13.541 769 H GLY 96 H GLY 96 -10.484 -6.279 12.620 770 HA2 GLY 96 HA3 GLY 96 -9.648 -8.169 13.705 771 HA3 GLY 96 HA2 GLY 96 -11.310 -8.787 13.841 772 H GLU 97 H GLU 97 -10.784 -8.284 10.508 773 HA GLU 97 HA GLU 97 -10.006 -11.109 10.106 774 HB2 GLU 97 HB1 GLU 97 -10.591 -8.934 8.094 775 HB3 GLU 97 HB2 GLU 97 -10.025 -10.578 7.672 776 HG2 GLU 97 HG1 GLU 97 -12.015 -11.511 8.819 777 HG3 GLU 97 HG2 GLU 97 -12.661 -9.881 8.980 778 H GLU 98 H GLU 98 -8.327 -11.136 8.071 779 HA GLU 98 HA GLU 98 -5.733 -10.250 9.077 780 HB2 GLU 98 HB1 GLU 98 -5.033 -12.586 9.421 781 HB3 GLU 98 HB2 GLU 98 -6.414 -12.216 10.477 782 HG2 GLU 98 HG1 GLU 98 -7.897 -13.208 8.663 783 HG3 GLU 98 HG2 GLU 98 -6.420 -13.808 7.880 784 H VAL 99 H VAL 99 -4.572 -9.926 7.306 785 HA VAL 99 HA VAL 99 -5.093 -11.424 4.759 786 HB VAL 99 HB VAL 99 -5.118 -8.403 5.140 787 HG11 VAL 99 HG11 VAL 99 -4.802 -10.041 2.592 788 HG12 VAL 99 HG12 VAL 99 -5.348 -8.344 2.597 789 HG13 VAL 99 HG13 VAL 99 -3.740 -8.743 3.184 790 HG21 VAL 99 HG21 VAL 99 -7.315 -9.586 5.426 791 HG22 VAL 99 HG22 VAL 99 -7.298 -8.538 4.020 792 HG23 VAL 99 HG23 VAL 99 -7.116 -10.303 3.828 793 H GLU 100 H GLU 100 -3.310 -12.257 4.005 794 HA GLU 100 HA GLU 100 -0.676 -11.126 4.631 795 HB2 GLU 100 HB1 GLU 100 0.267 -12.947 3.416 796 HB3 GLU 100 HB2 GLU 100 -0.961 -13.573 4.531 797 HG2 GLU 100 HG1 GLU 100 -2.569 -13.718 2.657 798 HG3 GLU 100 HG2 GLU 100 -1.327 -13.088 1.544 799 H LEU 101 H LEU 101 0.805 -10.393 3.073 800 HA LEU 101 HA LEU 101 -0.017 -10.010 0.359 801 HB2 LEU 101 HB1 LEU 101 -1.057 -8.072 1.228 802 HB3 LEU 101 HB2 LEU 101 0.375 -7.559 2.096 803 HG LEU 101 HG LEU 101 0.287 -7.665 -0.939 804 HD11 LEU 101 HD11 LEU 101 -0.403 -5.276 -0.871 805 HD12 LEU 101 HD12 LEU 101 -0.597 -5.388 0.888 806 HD13 LEU 101 HD13 LEU 101 -1.644 -6.335 -0.191 807 HD21 LEU 101 HD21 LEU 101 1.931 -5.758 -0.676 808 HD22 LEU 101 HD22 LEU 101 2.531 -7.286 -0.048 809 HD23 LEU 101 HD23 LEU 101 1.927 -6.050 1.072 810 H ASP 102 H ASP 102 1.473 -9.866 -0.990 811 HA ASP 102 HA ASP 102 4.245 -10.620 -0.273 812 HB2 ASP 102 HB1 ASP 102 2.482 -11.140 -2.701 813 HB3 ASP 102 HB2 ASP 102 4.103 -11.795 -2.460 814 H LEU 103 H LEU 103 5.534 -8.804 -0.491 815 HA LEU 103 HA LEU 103 4.766 -6.616 -2.278 816 HB2 LEU 103 HB1 LEU 103 7.025 -7.032 -0.294 817 HB3 LEU 103 HB2 LEU 103 6.801 -5.558 -1.272 818 HG LEU 103 HG LEU 103 4.437 -5.475 -0.145 819 HD11 LEU 103 HD11 LEU 103 4.523 -7.673 1.061 820 HD12 LEU 103 HD12 LEU 103 4.417 -6.329 2.191 821 HD13 LEU 103 HD13 LEU 103 5.975 -7.128 1.916 822 HD21 LEU 103 HD21 LEU 103 6.176 -3.812 0.225 823 HD22 LEU 103 HD22 LEU 103 6.991 -4.870 1.400 824 HD23 LEU 103 HD23 LEU 103 5.390 -4.190 1.758 825 H LEU 104 H LEU 104 5.606 -6.169 -4.250 826 HA LEU 104 HA LEU 104 7.513 -8.156 -5.389 827 HB2 LEU 104 HB1 LEU 104 5.470 -6.330 -6.687 828 HB3 LEU 104 HB2 LEU 104 6.459 -7.488 -7.553 829 HG LEU 104 HG LEU 104 4.202 -8.022 -5.587 830 HD11 LEU 104 HD11 LEU 104 4.569 -8.744 -8.528 831 HD12 LEU 104 HD12 LEU 104 3.539 -7.446 -7.889 832 HD13 LEU 104 HD13 LEU 104 3.154 -9.132 -7.524 833 HD21 LEU 104 HD21 LEU 104 6.064 -10.078 -6.859 834 HD22 LEU 104 HD22 LEU 104 4.542 -10.455 -6.018 835 HD23 LEU 104 HD23 LEU 104 5.882 -9.736 -5.124 836 H PHE 105 H PHE 105 9.476 -7.574 -5.941 837 HA PHE 105 HA PHE 105 10.215 -4.669 -6.130 838 HB2 PHE 105 HB1 PHE 105 11.612 -7.086 -4.967 839 HB3 PHE 105 HB2 PHE 105 12.361 -5.493 -5.157 840 HD1 PHE 105 HD2 PHE 105 11.394 -3.519 -3.939 841 HD2 PHE 105 HD1 PHE 105 10.120 -7.556 -3.070 842 HE1 PHE 105 HE2 PHE 105 10.576 -2.794 -1.730 843 HE2 PHE 105 HE1 PHE 105 9.290 -6.812 -0.891 844 HZ PHE 105 HZ PHE 105 9.546 -4.449 -0.174 845 H ALA 106 H ALA 106 11.649 -4.002 -7.634 846 HA ALA 106 HA ALA 106 12.004 -5.391 -10.083 847 HB1 ALA 106 HB1 ALA 106 13.532 -3.559 -10.652 848 HB2 ALA 106 HB2 ALA 106 12.114 -2.921 -9.802 849 HB3 ALA 106 HB3 ALA 106 13.660 -3.104 -8.940 850 H GLY 107 H GLY 107 13.872 -6.316 -11.067 851 HA2 GLY 107 HA3 GLY 107 15.871 -7.463 -11.181 852 HA3 GLY 107 HA2 GLY 107 16.268 -6.896 -9.543 853 H GLY 108 H GLY 108 13.239 -8.465 -9.520 854 HA2 GLY 108 HA3 GLY 108 12.516 -10.641 -9.230 855 HA3 GLY 108 HA2 GLY 108 14.170 -11.219 -9.532 856 H LYS 109 H LYS 109 12.394 -9.347 -7.014 857 HA LYS 109 HA LYS 109 13.172 -11.334 -4.965 858 HB2 LYS 109 HB1 LYS 109 13.457 -8.306 -4.756 859 HB3 LYS 109 HB2 LYS 109 13.516 -9.430 -3.365 860 HG2 LYS 109 HG1 LYS 109 15.719 -9.246 -3.720 861 HG3 LYS 109 HG2 LYS 109 15.413 -10.584 -4.803 862 HD2 LYS 109 HD1 LYS 109 15.210 -8.713 -6.653 863 HD3 LYS 109 HD2 LYS 109 15.918 -7.639 -5.410 864 HE2 LYS 109 HE1 LYS 109 17.768 -8.406 -6.689 865 HE3 LYS 109 HE2 LYS 109 17.797 -9.353 -5.190 866 HZ1 LYS 109 HZ1 LYS 109 16.554 -11.097 -6.555 867 HZ2 LYS 109 HZ2 LYS 109 18.125 -10.838 -7.019 868 HZ3 LYS 109 HZ3 LYS 109 16.879 -10.207 -7.873 869 H VAL 110 H VAL 110 11.699 -11.506 -3.217 870 HA VAL 110 HA VAL 110 9.250 -9.937 -3.315 871 HB VAL 110 HB VAL 110 8.922 -11.973 -4.682 872 HG11 VAL 110 HG11 VAL 110 9.242 -13.586 -2.126 873 HG12 VAL 110 HG12 VAL 110 8.768 -14.194 -3.718 874 HG13 VAL 110 HG13 VAL 110 10.395 -13.544 -3.477 875 HG21 VAL 110 HG21 VAL 110 7.204 -12.075 -2.158 876 HG22 VAL 110 HG22 VAL 110 6.987 -10.911 -3.479 877 HG23 VAL 110 HG23 VAL 110 6.763 -12.641 -3.779 878 H LEU 111 H LEU 111 8.138 -9.803 -1.322 879 HA LEU 111 HA LEU 111 9.431 -11.012 1.097 880 HB2 LEU 111 HB1 LEU 111 10.290 -8.713 0.381 881 HB3 LEU 111 HB2 LEU 111 8.699 -8.078 0.801 882 HG LEU 111 HG LEU 111 10.562 -9.480 2.758 883 HD11 LEU 111 HD11 LEU 111 10.122 -6.501 2.217 884 HD12 LEU 111 HD12 LEU 111 11.580 -7.427 1.815 885 HD13 LEU 111 HD13 LEU 111 11.133 -7.184 3.513 886 HD21 LEU 111 HD21 LEU 111 8.065 -7.765 3.176 887 HD22 LEU 111 HD22 LEU 111 9.161 -8.290 4.471 888 HD23 LEU 111 HD23 LEU 111 8.244 -9.493 3.565 889 H LYS 112 H LYS 112 7.823 -12.068 2.219 890 HA LYS 112 HA LYS 112 4.996 -11.188 1.825 891 HB2 LYS 112 HB1 LYS 112 6.212 -13.763 2.853 892 HB3 LYS 112 HB2 LYS 112 4.480 -13.351 3.034 893 HG2 LYS 112 HG1 LYS 112 4.298 -13.081 0.588 894 HG3 LYS 112 HG2 LYS 112 6.004 -13.546 0.403 895 HD2 LYS 112 HD1 LYS 112 4.622 -15.438 -0.129 896 HD3 LYS 112 HD2 LYS 112 5.474 -15.760 1.398 897 HE2 LYS 112 HE1 LYS 112 3.284 -16.587 1.694 898 HE3 LYS 112 HE2 LYS 112 3.308 -15.074 2.598 899 HZ1 LYS 112 HZ1 LYS 112 1.306 -15.333 1.273 900 HZ2 LYS 112 HZ2 LYS 112 2.189 -15.373 -0.141 901 HZ3 LYS 112 HZ3 LYS 112 2.127 -14.031 0.734 902 H VAL 113 H VAL 113 3.787 -10.318 3.319 903 HA VAL 113 HA VAL 113 4.608 -10.363 6.202 904 HB VAL 113 HB VAL 113 3.383 -7.968 4.812 905 HG11 VAL 113 HG11 VAL 113 2.772 -7.828 7.068 906 HG12 VAL 113 HG12 VAL 113 4.356 -8.394 7.632 907 HG13 VAL 113 HG13 VAL 113 4.152 -6.765 6.923 908 HG21 VAL 113 HG21 VAL 113 6.289 -8.323 5.706 909 HG22 VAL 113 HG22 VAL 113 5.736 -8.195 4.024 910 HG23 VAL 113 HG23 VAL 113 5.580 -6.809 5.100 911 H VAL 114 H VAL 114 2.667 -9.758 7.557 912 HA VAL 114 HA VAL 114 0.047 -10.490 6.410 913 HB VAL 114 HB VAL 114 0.961 -11.676 9.062 914 HG11 VAL 114 HG11 VAL 114 -1.604 -12.020 7.426 915 HG12 VAL 114 HG12 VAL 114 -1.197 -12.932 8.896 916 HG13 VAL 114 HG13 VAL 114 -1.461 -11.191 8.992 917 HG21 VAL 114 HG21 VAL 114 2.087 -12.895 7.256 918 HG22 VAL 114 HG22 VAL 114 0.785 -13.887 7.916 919 HG23 VAL 114 HG23 VAL 114 0.557 -13.051 6.366 920 H LEU 115 H LEU 115 -1.448 -9.139 6.979 921 HA LEU 115 HA LEU 115 -0.959 -7.039 9.062 922 HB2 LEU 115 HB1 LEU 115 -2.399 -6.847 6.392 923 HB3 LEU 115 HB2 LEU 115 -2.074 -5.521 7.519 924 HG LEU 115 HG LEU 115 -0.063 -7.034 5.794 925 HD11 LEU 115 HD11 LEU 115 -1.415 -5.367 4.608 926 HD12 LEU 115 HD12 LEU 115 0.255 -4.820 4.759 927 HD13 LEU 115 HD13 LEU 115 -0.998 -4.129 5.814 928 HD21 LEU 115 HD21 LEU 115 0.412 -4.945 7.948 929 HD22 LEU 115 HD22 LEU 115 1.605 -5.343 6.691 930 HD23 LEU 115 HD23 LEU 115 1.097 -6.554 7.872 931 HA PRO 116 HA PRO 116 -5.269 -8.143 10.237 932 HB2 PRO 116 HB1 PRO 116 -5.888 -6.019 11.822 933 HB3 PRO 116 HB2 PRO 116 -4.761 -7.300 12.364 934 HG2 PRO 116 HG1 PRO 116 -4.068 -4.615 11.126 935 HG3 PRO 116 HG2 PRO 116 -3.386 -5.349 12.623 936 HD2 PRO 116 HD1 PRO 116 -2.128 -5.528 10.196 937 HD3 PRO 116 HD2 PRO 116 -2.079 -6.867 11.381 938 H VAL 117 H VAL 117 -7.356 -7.408 9.644 939 HA VAL 117 HA VAL 117 -7.451 -5.165 7.651 940 HB VAL 117 HB VAL 117 -9.534 -7.181 8.504 941 HG11 VAL 117 HG11 VAL 117 -9.646 -5.097 6.262 942 HG12 VAL 117 HG12 VAL 117 -10.857 -6.366 6.561 943 HG13 VAL 117 HG13 VAL 117 -10.630 -5.078 7.740 944 HG21 VAL 117 HG21 VAL 117 -9.231 -8.144 6.233 945 HG22 VAL 117 HG22 VAL 117 -7.931 -6.976 5.922 946 HG23 VAL 117 HG23 VAL 117 -7.740 -8.216 7.178 947 H GLU 118 H GLU 118 -8.157 -3.199 8.343 948 HA GLU 118 HA GLU 118 -10.033 -2.909 10.540 949 HB2 GLU 118 HB1 GLU 118 -7.114 -2.234 10.863 950 HB3 GLU 118 HB2 GLU 118 -8.321 -1.198 11.659 951 HG2 GLU 118 HG1 GLU 118 -7.776 -4.123 12.159 952 HG3 GLU 118 HG2 GLU 118 -7.626 -2.754 13.284 953 H ALA 119 H ALA 119 -10.410 -0.613 11.141 954 HA ALA 119 HA ALA 119 -11.101 0.657 8.561 955 HB1 ALA 119 HB1 ALA 119 -13.060 1.494 9.786 956 HB2 ALA 119 HB2 ALA 119 -12.904 -0.270 9.942 957 HB3 ALA 119 HB3 ALA 119 -12.432 0.786 11.289 958 H ARG 120 H ARG 120 -9.603 2.010 8.051 959 HA ARG 120 HA ARG 120 -10.199 4.550 7.909 960 HB2 ARG 120 HB1 ARG 120 -8.528 4.295 10.356 961 HB3 ARG 120 HB2 ARG 120 -8.270 5.665 9.224 962 HG2 ARG 120 HG1 ARG 120 -10.483 6.425 9.407 963 HG3 ARG 120 HG2 ARG 120 -11.065 4.949 10.185 964 HD2 ARG 120 HD1 ARG 120 -9.608 5.429 12.139 965 HD3 ARG 120 HD2 ARG 120 -9.112 6.946 11.388 966 HE ARG 120 HE ARG 120 -11.567 6.346 12.799 967 HH11 ARG 120 HH12 ARG 120 -10.399 8.428 10.251 968 HH12 ARG 120 HH11 ARG 120 -11.675 9.596 10.472 969 HH21 ARG 120 HH22 ARG 120 -13.184 7.850 13.019 970 HH22 ARG 120 HH21 ARG 120 -13.223 9.254 11.993 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 14.181 -6.458 9.014 2 H2 GLY 1 2H GLY 1 15.456 -7.211 9.766 3 H3 GLY 1 3H GLY 1 14.369 -6.256 10.585 4 HA2 GLY 1 HA3 GLY 1 13.607 -8.761 9.236 5 HA3 GLY 1 HA2 GLY 1 13.942 -8.642 10.979 6 H SER 2 H SER 2 11.585 -8.130 8.481 7 HA SER 2 HA SER 2 10.818 -5.631 9.292 8 HB2 SER 2 HB1 SER 2 9.175 -7.433 7.516 9 HB3 SER 2 HB2 SER 2 9.415 -5.681 7.394 10 HG SER 2 HG SER 2 11.789 -6.339 7.052 11 H PHE 3 H PHE 3 9.041 -4.632 10.035 12 HA PHE 3 HA PHE 3 7.507 -6.157 12.053 13 HB2 PHE 3 HB1 PHE 3 7.419 -3.587 12.883 14 HB3 PHE 3 HB2 PHE 3 8.713 -4.737 13.302 15 HD1 PHE 3 HD1 PHE 3 7.852 -1.953 10.925 16 HD2 PHE 3 HD2 PHE 3 10.956 -4.393 12.652 17 HE1 PHE 3 HE1 PHE 3 9.557 -0.571 9.797 18 HE2 PHE 3 HE2 PHE 3 12.672 -3.008 11.518 19 HZ PHE 3 HZ PHE 3 11.993 -1.104 10.095 20 H THR 4 H THR 4 5.368 -6.028 12.264 21 HA THR 4 HA THR 4 3.843 -5.259 9.924 22 HB THR 4 HB THR 4 2.032 -6.507 11.126 23 HG1 THR 4 HG1 THR 4 2.700 -5.921 13.196 24 HG21 THR 4 HG21 THR 4 3.723 -7.739 9.732 25 HG22 THR 4 HG22 THR 4 3.046 -8.697 11.063 26 HG23 THR 4 HG23 THR 4 4.679 -8.023 11.202 27 H GLU 5 H GLU 5 4.448 -2.880 10.524 28 HA GLU 5 HA GLU 5 2.593 -1.709 12.547 29 HB2 GLU 5 HB1 GLU 5 4.826 -0.308 11.070 30 HB3 GLU 5 HB2 GLU 5 3.944 0.205 12.520 31 HG2 GLU 5 HG1 GLU 5 4.928 -1.997 13.563 32 HG3 GLU 5 HG2 GLU 5 6.049 -1.927 12.183 33 H GLY 6 H GLY 6 0.901 -2.411 10.774 34 HA2 GLY 6 HA3 GLY 6 0.182 -0.029 9.242 35 HA3 GLY 6 HA2 GLY 6 0.679 -1.414 8.243 36 H TRP 7 H TRP 7 -1.682 -0.694 7.634 37 HA TRP 7 HA TRP 7 -3.302 -2.931 8.532 38 HB2 TRP 7 HB1 TRP 7 -5.269 -1.762 9.141 39 HB3 TRP 7 HB2 TRP 7 -3.941 -1.233 10.169 40 HD1 TRP 7 HD TRP 7 -6.569 0.003 7.824 41 HE1 TRP 7 HE1 TRP 7 -6.557 2.570 7.758 42 HE3 TRP 7 3HE TRP 7 -2.115 0.870 10.197 43 HZ2 TRP 7 HZ2 TRP 7 -4.704 4.690 8.334 44 HZ3 TRP 7 HZ3 TRP 7 -1.202 3.168 10.343 45 HH2 TRP 7 HH TRP 7 -2.465 5.079 9.414 46 H VAL 8 H VAL 8 -4.948 -3.543 7.118 47 HA VAL 8 HA VAL 8 -4.877 -2.284 4.403 48 HB VAL 8 HB VAL 8 -6.168 -4.919 5.171 49 HG11 VAL 8 HG11 VAL 8 -7.110 -3.867 3.111 50 HG12 VAL 8 HG12 VAL 8 -5.476 -3.697 2.451 51 HG13 VAL 8 HG13 VAL 8 -6.173 -5.306 2.715 52 HG21 VAL 8 HG21 VAL 8 -4.189 -5.918 3.927 53 HG22 VAL 8 HG22 VAL 8 -3.434 -4.313 3.952 54 HG23 VAL 8 HG23 VAL 8 -3.769 -5.177 5.470 55 H ARG 9 H ARG 9 -6.846 -1.524 3.447 56 HA ARG 9 HA ARG 9 -8.424 -0.218 5.523 57 HB2 ARG 9 HB1 ARG 9 -7.337 0.834 3.423 58 HB3 ARG 9 HB2 ARG 9 -8.741 0.214 2.540 59 HG2 ARG 9 HG1 ARG 9 -10.229 1.396 4.184 60 HG3 ARG 9 HG2 ARG 9 -8.766 2.032 4.981 61 HD2 ARG 9 HD1 ARG 9 -8.193 3.040 2.653 62 HD3 ARG 9 HD2 ARG 9 -9.890 2.691 2.244 63 HE ARG 9 HE ARG 9 -9.940 3.937 4.736 64 HH11 ARG 9 HH12 ARG 9 -8.810 5.095 1.598 65 HH12 ARG 9 HH11 ARG 9 -9.286 6.734 1.973 66 HH21 ARG 9 HH22 ARG 9 -10.401 5.941 5.198 67 HH22 ARG 9 HH21 ARG 9 -10.227 7.222 4.047 68 H PHE 10 H PHE 10 -10.376 -0.703 6.175 69 HA PHE 10 HA PHE 10 -12.150 -2.691 5.344 70 HB2 PHE 10 HB1 PHE 10 -12.349 -1.467 7.426 71 HB3 PHE 10 HB2 PHE 10 -12.573 0.062 6.544 72 HD1 PHE 10 HD1 PHE 10 -14.704 0.643 5.518 73 HD2 PHE 10 HD2 PHE 10 -14.164 -3.087 7.586 74 HE1 PHE 10 HE1 PHE 10 -17.129 0.209 5.351 75 HE2 PHE 10 HE2 PHE 10 -16.620 -3.504 7.484 76 HZ PHE 10 HZ PHE 10 -18.105 -1.863 6.341 77 H SER 11 H SER 11 -14.002 -2.767 4.041 78 HA SER 11 HA SER 11 -15.043 -0.401 2.826 79 HB2 SER 11 HB1 SER 11 -13.102 -1.028 1.272 80 HB3 SER 11 HB2 SER 11 -14.027 -2.477 0.840 81 HG SER 11 HG SER 11 -14.307 -0.689 -0.571 82 HA PRO 12 HA PRO 12 -18.467 -3.383 2.532 83 HB2 PRO 12 HB1 PRO 12 -20.469 -1.777 1.744 84 HB3 PRO 12 HB2 PRO 12 -19.713 -1.544 3.350 85 HG2 PRO 12 HG1 PRO 12 -19.117 -0.044 0.779 86 HG3 PRO 12 HG2 PRO 12 -19.455 0.646 2.408 87 HD2 PRO 12 HD1 PRO 12 -16.902 0.196 1.402 88 HD3 PRO 12 HD2 PRO 12 -17.296 0.172 3.140 89 H GLY 13 H GLY 13 -16.748 -1.878 0.000 90 HA2 GLY 13 HA3 GLY 13 -18.483 -2.970 -2.153 91 HA3 GLY 13 HA2 GLY 13 -17.361 -1.599 -2.315 92 HA PRO 14 HA PRO 14 -15.327 -5.592 -3.826 93 HB2 PRO 14 HB1 PRO 14 -15.062 -4.951 -6.470 94 HB3 PRO 14 HB2 PRO 14 -16.549 -5.679 -5.801 95 HG2 PRO 14 HG1 PRO 14 -15.984 -2.748 -6.331 96 HG3 PRO 14 HG2 PRO 14 -17.438 -3.697 -6.805 97 HD2 PRO 14 HD1 PRO 14 -17.389 -2.138 -4.562 98 HD3 PRO 14 HD2 PRO 14 -18.258 -3.699 -4.594 99 H ASN 15 H ASN 15 -14.698 -2.169 -4.066 100 HA ASN 15 HA ASN 15 -11.814 -2.558 -4.437 101 HB2 ASN 15 HB1 ASN 15 -11.923 -0.100 -4.917 102 HB3 ASN 15 HB2 ASN 15 -12.817 -1.141 -6.041 103 HD21 ASN 15 HD21 ASN 15 -13.054 1.529 -3.796 104 HD22 ASN 15 HD22 ASN 15 -14.791 1.728 -4.006 105 H ALA 16 H ALA 16 -10.328 -1.784 -3.167 106 HA ALA 16 HA ALA 16 -10.774 -0.519 -0.535 107 HB1 ALA 16 HB1 ALA 16 -11.182 -2.949 -0.216 108 HB2 ALA 16 HB2 ALA 16 -9.601 -3.319 -0.934 109 HB3 ALA 16 HB3 ALA 16 -9.708 -2.447 0.613 110 H ALA 17 H ALA 17 -8.327 -0.849 0.550 111 HA ALA 17 HA ALA 17 -6.192 0.010 -1.306 112 HB1 ALA 17 HB1 ALA 17 -7.178 1.788 0.960 113 HB2 ALA 17 HB2 ALA 17 -5.753 2.068 -0.046 114 HB3 ALA 17 HB3 ALA 17 -7.366 2.119 -0.780 115 H ALA 18 H ALA 18 -4.039 -0.068 -0.134 116 HA ALA 18 HA ALA 18 -4.195 -1.342 2.572 117 HB1 ALA 18 HB1 ALA 18 -3.827 -3.138 0.886 118 HB2 ALA 18 HB2 ALA 18 -2.324 -2.334 0.393 119 HB3 ALA 18 HB3 ALA 18 -2.489 -2.957 2.034 120 H TYR 19 H TYR 19 -2.892 -0.614 4.057 121 HA TYR 19 HA TYR 19 -0.675 1.268 3.375 122 HB2 TYR 19 HB1 TYR 19 -2.300 1.158 5.924 123 HB3 TYR 19 HB2 TYR 19 -1.176 2.420 5.422 124 HD1 TYR 19 HD2 TYR 19 -1.900 3.440 2.933 125 HD2 TYR 19 HD1 TYR 19 -4.515 1.678 5.842 126 HE1 TYR 19 HE2 TYR 19 -3.828 4.702 1.955 127 HE2 TYR 19 HE1 TYR 19 -6.426 2.994 4.952 128 HH TYR 19 HH TYR 19 -7.060 4.599 3.484 129 H LEU 20 H LEU 20 0.591 -0.743 3.078 130 HA LEU 20 HA LEU 20 1.164 -2.318 5.507 131 HB2 LEU 20 HB1 LEU 20 2.348 -3.818 4.125 132 HB3 LEU 20 HB2 LEU 20 0.833 -3.393 3.301 133 HG LEU 20 HG LEU 20 2.359 -1.685 1.993 134 HD11 LEU 20 HD11 LEU 20 4.410 -3.701 3.047 135 HD12 LEU 20 HD12 LEU 20 4.496 -1.933 3.168 136 HD13 LEU 20 HD13 LEU 20 4.675 -2.702 1.604 137 HD21 LEU 20 HD21 LEU 20 2.320 -4.691 1.587 138 HD22 LEU 20 HD22 LEU 20 2.951 -3.555 0.387 139 HD23 LEU 20 HD23 LEU 20 1.253 -3.451 0.875 140 H THR 21 H THR 21 3.356 -2.628 6.354 141 HA THR 21 HA THR 21 4.854 -0.112 6.342 142 HB THR 21 HB THR 21 5.747 -2.467 8.015 143 HG1 THR 21 HG1 THR 21 3.586 -0.904 8.838 144 HG21 THR 21 HG21 THR 21 6.863 -0.168 7.983 145 HG22 THR 21 HG22 THR 21 6.355 -0.810 9.544 146 HG23 THR 21 HG23 THR 21 5.374 0.440 8.750 147 H LEU 22 H LEU 22 6.785 0.224 5.297 148 HA LEU 22 HA LEU 22 8.045 -2.146 3.971 149 HB2 LEU 22 HB1 LEU 22 7.223 0.169 2.839 150 HB3 LEU 22 HB2 LEU 22 8.893 0.618 3.233 151 HG LEU 22 HG LEU 22 8.855 -0.090 0.995 152 HD11 LEU 22 HD11 LEU 22 9.930 -2.520 2.464 153 HD12 LEU 22 HD12 LEU 22 10.760 -0.944 2.434 154 HD13 LEU 22 HD13 LEU 22 10.482 -1.828 0.933 155 HD21 LEU 22 HD21 LEU 22 6.744 -1.302 0.945 156 HD22 LEU 22 HD22 LEU 22 7.448 -2.635 1.877 157 HD23 LEU 22 HD23 LEU 22 8.032 -2.290 0.236 158 H GLU 23 H GLU 23 9.979 -2.815 4.564 159 HA GLU 23 HA GLU 23 11.847 -1.131 6.145 160 HB2 GLU 23 HB1 GLU 23 10.912 -2.961 7.589 161 HB3 GLU 23 HB2 GLU 23 11.426 -4.146 6.364 162 HG2 GLU 23 HG1 GLU 23 13.803 -3.209 6.726 163 HG3 GLU 23 HG2 GLU 23 13.160 -2.404 8.165 164 H ASN 24 H ASN 24 13.930 -1.173 5.266 165 HA ASN 24 HA ASN 24 14.405 -2.905 2.861 166 HB2 ASN 24 HB1 ASN 24 14.465 -0.355 2.754 167 HB3 ASN 24 HB2 ASN 24 15.912 -0.409 3.748 168 HD21 ASN 24 HD21 ASN 24 17.494 -2.429 2.603 169 HD22 ASN 24 HD22 ASN 24 17.704 -2.114 0.909 170 HA PRO 25 HA PRO 25 16.863 -4.599 6.346 171 HB2 PRO 25 HB1 PRO 25 16.532 -7.317 5.867 172 HB3 PRO 25 HB2 PRO 25 15.319 -6.323 6.718 173 HG2 PRO 25 HG1 PRO 25 15.408 -7.004 3.756 174 HG3 PRO 25 HG2 PRO 25 14.021 -7.218 4.881 175 HD2 PRO 25 HD1 PRO 25 14.176 -5.031 3.315 176 HD3 PRO 25 HD2 PRO 25 13.689 -4.881 5.032 177 H GLY 26 H GLY 26 17.446 -4.661 2.985 178 HA2 GLY 26 HA3 GLY 26 20.001 -6.086 3.221 179 HA3 GLY 26 HA2 GLY 26 19.290 -5.378 1.753 180 H ASP 27 H ASP 27 21.868 -5.027 2.533 181 HA ASP 27 HA ASP 27 22.315 -2.310 3.597 182 HB2 ASP 27 HB1 ASP 27 23.890 -4.750 3.101 183 HB3 ASP 27 HB2 ASP 27 24.730 -3.274 2.589 184 H LEU 28 H LEU 28 21.128 -3.378 0.840 185 HA LEU 28 HA LEU 28 22.225 -1.190 -0.831 186 HB2 LEU 28 HB1 LEU 28 21.368 -3.956 -1.767 187 HB3 LEU 28 HB2 LEU 28 21.914 -2.625 -2.804 188 HG LEU 28 HG LEU 28 24.096 -2.865 -1.192 189 HD11 LEU 28 HD11 LEU 28 23.214 -4.826 0.084 190 HD12 LEU 28 HD12 LEU 28 24.623 -5.264 -0.880 191 HD13 LEU 28 HD13 LEU 28 22.996 -5.712 -1.435 192 HD21 LEU 28 HD21 LEU 28 24.099 -2.888 -3.654 193 HD22 LEU 28 HD22 LEU 28 23.502 -4.564 -3.657 194 HD23 LEU 28 HD23 LEU 28 25.117 -4.185 -3.016 195 HA PRO 29 HA PRO 29 18.141 0.108 -0.748 196 HB2 PRO 29 HB1 PRO 29 17.773 1.572 -3.014 197 HB3 PRO 29 HB2 PRO 29 18.967 2.013 -1.760 198 HG2 PRO 29 HG1 PRO 29 19.429 0.624 -4.389 199 HG3 PRO 29 HG2 PRO 29 20.441 1.878 -3.596 200 HD2 PRO 29 HD1 PRO 29 20.893 -0.891 -3.533 201 HD3 PRO 29 HD2 PRO 29 21.556 0.218 -2.333 202 H LEU 30 H LEU 30 16.045 -0.414 -1.135 203 HA LEU 30 HA LEU 30 15.449 -2.364 -3.298 204 HB2 LEU 30 HB1 LEU 30 14.116 -1.681 -0.670 205 HB3 LEU 30 HB2 LEU 30 13.239 -2.579 -1.915 206 HG LEU 30 HG LEU 30 15.897 -3.425 -0.773 207 HD11 LEU 30 HD11 LEU 30 13.967 -3.349 0.906 208 HD12 LEU 30 HD12 LEU 30 14.678 -4.960 0.688 209 HD13 LEU 30 HD13 LEU 30 13.130 -4.543 -0.084 210 HD21 LEU 30 HD21 LEU 30 13.859 -4.964 -2.412 211 HD22 LEU 30 HD22 LEU 30 15.290 -5.671 -1.637 212 HD23 LEU 30 HD23 LEU 30 15.494 -4.482 -2.931 213 H ARG 31 H ARG 31 13.755 -2.299 -4.444 214 HA ARG 31 HA ARG 31 12.335 0.295 -4.912 215 HB2 ARG 31 HB1 ARG 31 14.175 -0.113 -6.601 216 HB3 ARG 31 HB2 ARG 31 13.238 -1.519 -7.164 217 HG2 ARG 31 HG1 ARG 31 11.421 -0.137 -7.872 218 HG3 ARG 31 HG2 ARG 31 12.017 1.269 -6.954 219 HD2 ARG 31 HD1 ARG 31 13.409 0.074 -9.381 220 HD3 ARG 31 HD2 ARG 31 12.346 1.505 -9.396 221 HE ARG 31 HE ARG 31 14.155 2.129 -7.445 222 HH11 ARG 31 HH12 ARG 31 14.784 1.125 -10.774 223 HH12 ARG 31 HH11 ARG 31 16.392 1.814 -10.738 224 HH21 ARG 31 HH22 ARG 31 16.079 3.036 -7.478 225 HH22 ARG 31 HH21 ARG 31 17.112 2.957 -8.874 226 H LEU 32 H LEU 32 10.341 -0.089 -4.362 227 HA LEU 32 HA LEU 32 9.049 -2.755 -4.508 228 HB2 LEU 32 HB1 LEU 32 9.046 -1.499 -2.460 229 HB3 LEU 32 HB2 LEU 32 8.404 -0.057 -3.251 230 HG LEU 32 HG LEU 32 6.854 -1.219 -1.768 231 HD11 LEU 32 HD11 LEU 32 5.586 -1.391 -4.487 232 HD12 LEU 32 HD12 LEU 32 6.208 0.163 -3.893 233 HD13 LEU 32 HD13 LEU 32 4.990 -0.672 -2.967 234 HD21 LEU 32 HD21 LEU 32 7.556 -3.547 -2.216 235 HD22 LEU 32 HD22 LEU 32 6.794 -3.456 -3.814 236 HD23 LEU 32 HD23 LEU 32 5.804 -3.330 -2.346 237 H VAL 33 H VAL 33 8.034 -3.253 -6.342 238 HA VAL 33 HA VAL 33 7.166 -1.037 -8.191 239 HB VAL 33 HB VAL 33 7.473 -2.603 -10.035 240 HG11 VAL 33 HG11 VAL 33 9.981 -2.475 -8.304 241 HG12 VAL 33 HG12 VAL 33 9.915 -2.711 -10.057 242 HG13 VAL 33 HG13 VAL 33 9.390 -1.178 -9.358 243 HG21 VAL 33 HG21 VAL 33 8.567 -4.756 -9.824 244 HG22 VAL 33 HG22 VAL 33 8.694 -4.590 -8.071 245 HG23 VAL 33 HG23 VAL 33 7.102 -4.789 -8.841 246 H GLY 34 H GLY 34 6.033 -3.734 -6.304 247 HA2 GLY 34 HA3 GLY 34 3.284 -3.335 -7.119 248 HA3 GLY 34 HA2 GLY 34 3.948 -4.910 -7.610 249 H ALA 35 H ALA 35 1.953 -5.270 -6.190 250 HA ALA 35 HA ALA 35 3.116 -6.601 -3.908 251 HB1 ALA 35 HB1 ALA 35 2.178 -4.699 -2.745 252 HB2 ALA 35 HB2 ALA 35 0.603 -4.913 -3.550 253 HB3 ALA 35 HB3 ALA 35 1.202 -6.114 -2.381 254 H ARG 36 H ARG 36 1.321 -8.157 -3.052 255 HA ARG 36 HA ARG 36 -0.718 -9.088 -4.959 256 HB2 ARG 36 HB1 ARG 36 1.876 -10.425 -4.464 257 HB3 ARG 36 HB2 ARG 36 0.503 -11.497 -4.182 258 HG2 ARG 36 HG1 ARG 36 0.964 -9.943 -6.753 259 HG3 ARG 36 HG2 ARG 36 1.506 -11.622 -6.457 260 HD2 ARG 36 HD1 ARG 36 -0.903 -12.244 -6.058 261 HD3 ARG 36 HD2 ARG 36 -1.360 -10.604 -6.566 262 HE ARG 36 HE ARG 36 0.341 -11.666 -8.540 263 HH11 ARG 36 HH12 ARG 36 -2.936 -12.322 -7.370 264 HH12 ARG 36 HH11 ARG 36 -3.469 -12.934 -8.900 265 HH21 ARG 36 HH22 ARG 36 -0.376 -12.571 -10.470 266 HH22 ARG 36 HH21 ARG 36 -2.029 -13.095 -10.622 267 H THR 37 H THR 37 -2.211 -10.586 -3.810 268 HA THR 37 HA THR 37 -2.205 -10.869 -0.917 269 HB THR 37 HB THR 37 -2.619 -8.544 -0.917 270 HG1 THR 37 HG1 THR 37 -3.876 -9.579 0.453 271 HG21 THR 37 HG21 THR 37 -4.544 -7.481 -2.063 272 HG22 THR 37 HG22 THR 37 -4.861 -8.985 -2.947 273 HG23 THR 37 HG23 THR 37 -3.358 -8.073 -3.231 274 HA PRO 38 HA PRO 38 -5.249 -13.726 -2.638 275 HB2 PRO 38 HB1 PRO 38 -6.561 -14.654 -0.446 276 HB3 PRO 38 HB2 PRO 38 -4.837 -15.010 -0.806 277 HG2 PRO 38 HG1 PRO 38 -5.938 -12.972 1.110 278 HG3 PRO 38 HG2 PRO 38 -4.593 -14.141 1.367 279 HD2 PRO 38 HD1 PRO 38 -4.263 -11.487 0.610 280 HD3 PRO 38 HD2 PRO 38 -3.084 -12.743 0.193 281 H VAL 39 H VAL 39 -6.178 -10.836 -1.029 282 HA VAL 39 HA VAL 39 -9.022 -11.144 -1.940 283 HB VAL 39 HB VAL 39 -9.687 -9.562 -0.203 284 HG11 VAL 39 HG11 VAL 39 -9.821 -11.986 0.161 285 HG12 VAL 39 HG12 VAL 39 -8.185 -11.993 0.847 286 HG13 VAL 39 HG13 VAL 39 -9.481 -11.115 1.669 287 HG21 VAL 39 HG21 VAL 39 -7.497 -8.360 0.136 288 HG22 VAL 39 HG22 VAL 39 -8.166 -8.996 1.646 289 HG23 VAL 39 HG23 VAL 39 -6.830 -9.844 0.842 290 H ALA 40 H ALA 40 -7.202 -10.374 -3.866 291 HA ALA 40 HA ALA 40 -8.886 -8.219 -4.852 292 HB1 ALA 40 HB1 ALA 40 -7.137 -6.629 -5.416 293 HB2 ALA 40 HB2 ALA 40 -7.031 -6.943 -3.677 294 HB3 ALA 40 HB3 ALA 40 -5.871 -7.698 -4.787 295 H GLU 41 H GLU 41 -9.006 -8.245 -7.110 296 HA GLU 41 HA GLU 41 -7.629 -10.400 -8.583 297 HB2 GLU 41 HB1 GLU 41 -10.154 -9.740 -8.709 298 HB3 GLU 41 HB2 GLU 41 -9.611 -8.387 -9.713 299 HG2 GLU 41 HG1 GLU 41 -10.193 -10.065 -11.264 300 HG3 GLU 41 HG2 GLU 41 -8.433 -10.206 -11.172 301 H ARG 42 H ARG 42 -7.997 -6.816 -8.636 302 HA ARG 42 HA ARG 42 -5.432 -6.577 -10.139 303 HB2 ARG 42 HB1 ARG 42 -7.741 -4.619 -9.873 304 HB3 ARG 42 HB2 ARG 42 -6.170 -4.263 -10.630 305 HG2 ARG 42 HG1 ARG 42 -6.624 -6.037 -12.329 306 HG3 ARG 42 HG2 ARG 42 -8.222 -6.312 -11.592 307 HD2 ARG 42 HD1 ARG 42 -8.772 -3.907 -11.962 308 HD3 ARG 42 HD2 ARG 42 -7.212 -3.696 -12.783 309 HE ARG 42 HE ARG 42 -8.523 -5.829 -14.062 310 HH11 ARG 42 HH12 ARG 42 -9.009 -2.376 -13.595 311 HH12 ARG 42 HH11 ARG 42 -9.956 -2.180 -15.034 312 HH21 ARG 42 HH22 ARG 42 -9.774 -5.559 -15.939 313 HH22 ARG 42 HH21 ARG 42 -10.378 -3.986 -16.373 314 H VAL 43 H VAL 43 -3.881 -5.666 -9.068 315 HA VAL 43 HA VAL 43 -4.383 -4.034 -6.650 316 HB VAL 43 HB VAL 43 -3.370 -6.169 -5.990 317 HG11 VAL 43 HG11 VAL 43 -0.760 -5.380 -7.341 318 HG12 VAL 43 HG12 VAL 43 -1.233 -6.893 -6.537 319 HG13 VAL 43 HG13 VAL 43 -1.938 -6.487 -8.097 320 HG21 VAL 43 HG21 VAL 43 -1.511 -3.800 -5.557 321 HG22 VAL 43 HG22 VAL 43 -3.007 -4.128 -4.658 322 HG23 VAL 43 HG23 VAL 43 -1.644 -5.253 -4.543 323 H GLU 44 H GLU 44 -3.495 -2.089 -6.712 324 HA GLU 44 HA GLU 44 -1.717 -1.249 -8.978 325 HB2 GLU 44 HB1 GLU 44 -4.093 0.157 -7.692 326 HB3 GLU 44 HB2 GLU 44 -2.969 0.932 -8.829 327 HG2 GLU 44 HG1 GLU 44 -3.695 -0.470 -10.629 328 HG3 GLU 44 HG2 GLU 44 -4.621 -1.515 -9.533 329 H LEU 45 H LEU 45 -0.330 0.525 -8.435 330 HA LEU 45 HA LEU 45 0.077 0.995 -5.503 331 HB2 LEU 45 HB1 LEU 45 1.924 -0.215 -6.540 332 HB3 LEU 45 HB2 LEU 45 2.037 1.018 -7.823 333 HG LEU 45 HG LEU 45 2.620 2.706 -6.054 334 HD11 LEU 45 HD11 LEU 45 3.400 1.972 -3.861 335 HD12 LEU 45 HD12 LEU 45 2.928 0.305 -4.217 336 HD13 LEU 45 HD13 LEU 45 1.690 1.570 -4.042 337 HD21 LEU 45 HD21 LEU 45 4.416 0.245 -6.219 338 HD22 LEU 45 HD22 LEU 45 4.931 1.910 -5.862 339 HD23 LEU 45 HD23 LEU 45 4.283 1.513 -7.460 340 H HIS 46 H HIS 46 -0.370 2.948 -4.814 341 HA HIS 46 HA HIS 46 -0.572 5.262 -6.695 342 HB2 HIS 46 HB1 HIS 46 -2.295 4.378 -4.353 343 HB3 HIS 46 HB2 HIS 46 -2.414 5.989 -5.090 344 HD2 HIS 46 HD2 HIS 46 -2.222 3.601 -7.928 345 HE1 HIS 46 HE1 HIS 46 -6.342 3.802 -6.927 346 HE2 HIS 46 HE2 HIS 46 -4.683 2.958 -8.667 347 H GLU 47 H GLU 47 -0.518 7.247 -5.857 348 HA GLU 47 HA GLU 47 0.878 7.766 -3.286 349 HB2 GLU 47 HB1 GLU 47 1.658 9.851 -4.209 350 HB3 GLU 47 HB2 GLU 47 2.201 8.388 -5.125 351 HG2 GLU 47 HG1 GLU 47 1.934 10.045 -6.696 352 HG3 GLU 47 HG2 GLU 47 0.569 8.954 -6.895 353 H THR 48 H THR 48 0.233 10.172 -2.598 354 HA THR 48 HA THR 48 -2.422 11.073 -3.233 355 HB THR 48 HB THR 48 -1.922 9.829 -0.515 356 HG1 THR 48 HG1 THR 48 -2.904 8.955 -2.574 357 HG21 THR 48 HG21 THR 48 -4.189 11.740 -1.206 358 HG22 THR 48 HG22 THR 48 -2.913 12.023 0.001 359 HG23 THR 48 HG23 THR 48 -4.083 10.719 0.240 360 H PHE 49 H PHE 49 -2.659 13.215 -2.621 361 HA PHE 49 HA PHE 49 -0.409 14.666 -1.382 362 HB2 PHE 49 HB1 PHE 49 0.024 15.958 -3.415 363 HB3 PHE 49 HB2 PHE 49 0.386 14.245 -3.631 364 HD1 PHE 49 HD2 PHE 49 -1.398 12.793 -4.904 365 HD2 PHE 49 HD1 PHE 49 -1.275 17.096 -5.025 366 HE1 PHE 49 HE2 PHE 49 -2.730 12.752 -6.912 367 HE2 PHE 49 HE1 PHE 49 -2.592 17.056 -7.117 368 HZ PHE 49 HZ PHE 49 -3.335 14.860 -8.088 369 H MET 50 H MET 50 -0.736 17.093 -1.762 370 HA MET 50 HA MET 50 -3.616 17.856 -1.508 371 HB2 MET 50 HB1 MET 50 -1.164 19.127 -0.276 372 HB3 MET 50 HB2 MET 50 -2.703 20.007 -0.511 373 HG2 MET 50 HG1 MET 50 -3.838 18.110 0.713 374 HG3 MET 50 HG2 MET 50 -2.247 17.520 1.169 375 HE1 MET 50 HE1 MET 50 -0.891 20.313 3.518 376 HE2 MET 50 HE2 MET 50 -0.527 18.900 2.505 377 HE3 MET 50 HE3 MET 50 -0.732 20.503 1.764 378 H ARG 51 H ARG 51 -4.394 19.407 -2.771 379 HA ARG 51 HA ARG 51 -2.739 20.869 -4.723 380 HB2 ARG 51 HB1 ARG 51 -4.333 20.130 -6.569 381 HB3 ARG 51 HB2 ARG 51 -3.109 18.954 -6.044 382 HG2 ARG 51 HG1 ARG 51 -4.716 17.632 -4.906 383 HG3 ARG 51 HG2 ARG 51 -5.945 18.914 -4.950 384 HD2 ARG 51 HD1 ARG 51 -6.114 18.670 -7.404 385 HD3 ARG 51 HD2 ARG 51 -4.953 17.326 -7.331 386 HE ARG 51 HE ARG 51 -6.993 16.789 -5.451 387 HH11 ARG 51 HH12 ARG 51 -6.844 16.951 -8.973 388 HH12 ARG 51 HH11 ARG 51 -8.090 15.747 -9.147 389 HH21 ARG 51 HH22 ARG 51 -8.617 15.459 -5.699 390 HH22 ARG 51 HH21 ARG 51 -9.133 14.900 -7.276 391 H GLU 52 H GLU 52 -3.690 22.803 -5.426 392 HA GLU 52 HA GLU 52 -6.010 23.716 -4.027 393 HB2 GLU 52 HB1 GLU 52 -3.620 24.777 -4.879 394 HB3 GLU 52 HB2 GLU 52 -4.702 25.345 -6.165 395 HG2 GLU 52 HG1 GLU 52 -4.617 26.993 -4.388 396 HG3 GLU 52 HG2 GLU 52 -6.226 26.245 -4.460 397 H VAL 53 H VAL 53 -7.944 24.297 -4.879 398 HA VAL 53 HA VAL 53 -8.509 24.642 -7.681 399 HB VAL 53 HB VAL 53 -8.503 22.239 -7.832 400 HG11 VAL 53 HG11 VAL 53 -10.420 22.138 -5.481 401 HG12 VAL 53 HG12 VAL 53 -9.903 20.760 -6.475 402 HG13 VAL 53 HG13 VAL 53 -8.717 21.611 -5.479 403 HG21 VAL 53 HG21 VAL 53 -10.695 21.768 -8.645 404 HG22 VAL 53 HG22 VAL 53 -11.405 23.083 -7.697 405 HG23 VAL 53 HG23 VAL 53 -10.293 23.450 -9.036 406 H GLU 54 H GLU 54 -10.394 25.770 -7.934 407 HA GLU 54 HA GLU 54 -12.008 27.252 -7.458 408 HB2 GLU 54 HB1 GLU 54 -12.292 25.977 -4.724 409 HB3 GLU 54 HB2 GLU 54 -13.439 27.114 -5.452 410 HG2 GLU 54 HG1 GLU 54 -14.237 25.453 -6.981 411 HG3 GLU 54 HG2 GLU 54 -12.922 24.334 -6.548 412 H GLY 55 H GLY 55 -9.210 27.236 -5.978 413 HA2 GLY 55 HA3 GLY 55 -7.956 28.942 -4.832 414 HA3 GLY 55 HA2 GLY 55 -9.462 29.849 -4.572 415 H LYS 56 H LYS 56 -8.930 26.409 -3.838 416 HA LYS 56 HA LYS 56 -8.943 26.763 -0.941 417 HB2 LYS 56 HB1 LYS 56 -11.017 25.230 -2.582 418 HB3 LYS 56 HB2 LYS 56 -10.750 24.939 -0.852 419 HG2 LYS 56 HG1 LYS 56 -11.723 26.962 -0.224 420 HG3 LYS 56 HG2 LYS 56 -11.481 27.709 -1.823 421 HD2 LYS 56 HD1 LYS 56 -13.838 27.223 -1.405 422 HD3 LYS 56 HD2 LYS 56 -13.192 26.356 -2.810 423 HE2 LYS 56 HE1 LYS 56 -12.869 24.414 -0.999 424 HE3 LYS 56 HE2 LYS 56 -14.141 25.320 -0.155 425 HZ1 LYS 56 HZ1 LYS 56 -15.236 25.162 -2.566 426 HZ2 LYS 56 HZ2 LYS 56 -15.335 23.843 -1.560 427 HZ3 LYS 56 HZ3 LYS 56 -14.260 23.971 -2.789 428 H LYS 57 H LYS 57 -7.752 25.164 -0.027 429 HA LYS 57 HA LYS 57 -6.319 23.347 -1.722 430 HB2 LYS 57 HB1 LYS 57 -4.844 23.032 0.017 431 HB3 LYS 57 HB2 LYS 57 -5.343 24.741 0.063 432 HG2 LYS 57 HG1 LYS 57 -5.344 24.324 2.282 433 HG3 LYS 57 HG2 LYS 57 -6.999 23.812 1.959 434 HD2 LYS 57 HD1 LYS 57 -6.224 21.457 1.777 435 HD3 LYS 57 HD2 LYS 57 -4.538 22.000 1.979 436 HE2 LYS 57 HE1 LYS 57 -5.084 22.829 4.243 437 HE3 LYS 57 HE2 LYS 57 -6.768 22.303 4.037 438 HZ1 LYS 57 HZ1 LYS 57 -4.409 20.505 3.905 439 HZ2 LYS 57 HZ2 LYS 57 -5.981 20.043 3.886 440 HZ3 LYS 57 HZ3 LYS 57 -5.340 20.696 5.253 441 H VAL 58 H VAL 58 -6.802 21.419 -2.238 442 HA VAL 58 HA VAL 58 -8.653 19.695 -0.631 443 HB VAL 58 HB VAL 58 -8.541 20.004 -3.665 444 HG11 VAL 58 HG11 VAL 58 -10.794 18.788 -3.554 445 HG12 VAL 58 HG12 VAL 58 -9.388 17.796 -3.268 446 HG13 VAL 58 HG13 VAL 58 -10.374 18.343 -1.887 447 HG21 VAL 58 HG21 VAL 58 -10.834 21.044 -3.377 448 HG22 VAL 58 HG22 VAL 58 -10.573 21.038 -1.624 449 HG23 VAL 58 HG23 VAL 58 -9.548 22.023 -2.689 450 H MET 59 H MET 59 -8.384 17.318 -1.806 451 HA MET 59 HA MET 59 -5.451 16.742 -1.941 452 HB2 MET 59 HB1 MET 59 -7.628 15.068 -0.659 453 HB3 MET 59 HB2 MET 59 -5.969 14.491 -1.005 454 HG2 MET 59 HG1 MET 59 -5.119 16.489 0.257 455 HG3 MET 59 HG2 MET 59 -6.757 16.800 0.806 456 HE1 MET 59 HE1 MET 59 -7.021 12.977 2.572 457 HE2 MET 59 HE2 MET 59 -7.965 14.021 1.493 458 HE3 MET 59 HE3 MET 59 -6.670 12.984 0.835 459 H GLY 60 H GLY 60 -4.821 14.867 -3.088 460 HA2 GLY 60 HA3 GLY 60 -6.629 13.916 -5.219 461 HA3 GLY 60 HA2 GLY 60 -5.066 14.616 -5.700 462 H MET 61 H MET 61 -5.734 12.008 -6.287 463 HA MET 61 HA MET 61 -3.507 10.522 -5.082 464 HB2 MET 61 HB1 MET 61 -5.234 9.725 -3.677 465 HB3 MET 61 HB2 MET 61 -6.446 9.806 -4.974 466 HG2 MET 61 HG1 MET 61 -5.212 7.913 -6.088 467 HG3 MET 61 HG2 MET 61 -4.269 7.737 -4.615 468 HE1 MET 61 HE1 MET 61 -7.514 7.143 -2.164 469 HE2 MET 61 HE2 MET 61 -5.998 8.079 -2.290 470 HE3 MET 61 HE3 MET 61 -7.489 8.708 -3.030 471 H ARG 62 H ARG 62 -2.534 9.299 -6.495 472 HA ARG 62 HA ARG 62 -3.580 8.895 -9.259 473 HB2 ARG 62 HB1 ARG 62 -1.193 10.485 -8.274 474 HB3 ARG 62 HB2 ARG 62 -1.200 9.805 -9.904 475 HG2 ARG 62 HG1 ARG 62 -3.261 11.107 -10.401 476 HG3 ARG 62 HG2 ARG 62 -3.176 11.843 -8.794 477 HD2 ARG 62 HD1 ARG 62 -1.066 12.037 -10.979 478 HD3 ARG 62 HD2 ARG 62 -2.183 13.323 -10.476 479 HE ARG 62 HE ARG 62 -0.689 12.504 -8.182 480 HH11 ARG 62 HH12 ARG 62 0.080 14.093 -11.251 481 HH12 ARG 62 HH11 ARG 62 1.497 14.845 -10.558 482 HH21 ARG 62 HH22 ARG 62 1.000 13.423 -7.416 483 HH22 ARG 62 HH21 ARG 62 1.987 14.556 -8.327 484 HA PRO 63 HA PRO 63 -1.100 5.174 -8.687 485 HB2 PRO 63 HB1 PRO 63 -0.793 4.239 -11.199 486 HB3 PRO 63 HB2 PRO 63 -2.388 4.250 -10.388 487 HG2 PRO 63 HG1 PRO 63 -1.274 6.307 -12.324 488 HG3 PRO 63 HG2 PRO 63 -2.883 5.500 -12.372 489 HD2 PRO 63 HD1 PRO 63 -2.503 7.993 -11.269 490 HD3 PRO 63 HD2 PRO 63 -3.697 6.834 -10.612 491 H VAL 64 H VAL 64 1.067 4.411 -8.942 492 HA VAL 64 HA VAL 64 2.985 6.187 -10.365 493 HB VAL 64 HB VAL 64 4.566 6.124 -8.470 494 HG11 VAL 64 HG11 VAL 64 1.934 7.382 -7.678 495 HG12 VAL 64 HG12 VAL 64 3.559 7.866 -7.149 496 HG13 VAL 64 HG13 VAL 64 3.085 8.078 -8.841 497 HG21 VAL 64 HG21 VAL 64 3.812 5.603 -6.185 498 HG22 VAL 64 HG22 VAL 64 2.281 4.976 -6.828 499 HG23 VAL 64 HG23 VAL 64 3.827 4.179 -7.230 500 HA PRO 65 HA PRO 65 4.470 2.348 -11.786 501 HB2 PRO 65 HB1 PRO 65 6.980 2.841 -12.624 502 HB3 PRO 65 HB2 PRO 65 5.567 3.683 -13.331 503 HG2 PRO 65 HG1 PRO 65 7.434 4.688 -11.167 504 HG3 PRO 65 HG2 PRO 65 6.900 5.548 -12.655 505 HD2 PRO 65 HD1 PRO 65 5.701 5.908 -10.210 506 HD3 PRO 65 HD2 PRO 65 4.783 5.983 -11.734 507 H PHE 66 H PHE 66 6.183 3.695 -9.079 508 HA PHE 66 HA PHE 66 6.539 1.242 -7.720 509 HB2 PHE 66 HB1 PHE 66 8.950 1.012 -7.722 510 HB3 PHE 66 HB2 PHE 66 8.294 0.766 -9.337 511 HD1 PHE 66 HD2 PHE 66 10.314 2.933 -7.180 512 HD2 PHE 66 HD1 PHE 66 8.741 2.341 -11.124 513 HE1 PHE 66 HE2 PHE 66 11.805 4.713 -7.985 514 HE2 PHE 66 HE1 PHE 66 10.329 4.084 -12.008 515 HZ PHE 66 HZ PHE 66 11.852 5.277 -10.434 516 H LEU 67 H LEU 67 8.029 1.583 -5.781 517 HA LEU 67 HA LEU 67 8.454 4.417 -4.979 518 HB2 LEU 67 HB1 LEU 67 8.064 2.101 -3.046 519 HB3 LEU 67 HB2 LEU 67 8.213 3.816 -2.642 520 HG LEU 67 HG LEU 67 5.832 2.420 -3.919 521 HD11 LEU 67 HD11 LEU 67 6.188 1.962 -1.531 522 HD12 LEU 67 HD12 LEU 67 4.753 2.978 -1.766 523 HD13 LEU 67 HD13 LEU 67 6.284 3.705 -1.202 524 HD21 LEU 67 HD21 LEU 67 6.021 4.732 -4.791 525 HD22 LEU 67 HD22 LEU 67 6.144 5.342 -3.131 526 HD23 LEU 67 HD23 LEU 67 4.649 4.544 -3.702 527 H GLU 68 H GLU 68 10.373 4.677 -3.680 528 HA GLU 68 HA GLU 68 12.520 2.616 -4.134 529 HB2 GLU 68 HB1 GLU 68 12.784 4.756 -5.469 530 HB3 GLU 68 HB2 GLU 68 12.786 5.651 -3.929 531 HG2 GLU 68 HG1 GLU 68 15.044 5.452 -4.372 532 HG3 GLU 68 HG2 GLU 68 14.800 4.101 -3.280 533 H VAL 69 H VAL 69 13.751 2.092 -2.333 534 HA VAL 69 HA VAL 69 13.530 3.883 -0.041 535 HB VAL 69 HB VAL 69 13.434 0.823 0.311 536 HG11 VAL 69 HG11 VAL 69 14.234 2.051 2.324 537 HG12 VAL 69 HG12 VAL 69 12.764 3.049 2.303 538 HG13 VAL 69 HG13 VAL 69 12.666 1.306 2.617 539 HG21 VAL 69 HG21 VAL 69 11.310 1.410 -0.749 540 HG22 VAL 69 HG22 VAL 69 11.049 1.016 0.945 541 HG23 VAL 69 HG23 VAL 69 11.047 2.713 0.437 542 HA PRO 70 HA PRO 70 17.938 3.111 0.105 543 HB2 PRO 70 HB1 PRO 70 18.669 4.657 2.205 544 HB3 PRO 70 HB2 PRO 70 18.040 5.372 0.688 545 HG2 PRO 70 HG1 PRO 70 16.497 4.766 3.232 546 HG3 PRO 70 HG2 PRO 70 16.528 6.306 2.299 547 HD2 PRO 70 HD1 PRO 70 14.562 4.420 1.973 548 HD3 PRO 70 HD2 PRO 70 15.166 5.408 0.609 549 HA PRO 71 HA PRO 71 18.530 -0.304 2.651 550 HB2 PRO 71 HB1 PRO 71 21.193 -0.267 3.367 551 HB3 PRO 71 HB2 PRO 71 20.530 -0.671 1.751 552 HG2 PRO 71 HG1 PRO 71 21.596 1.995 2.706 553 HG3 PRO 71 HG2 PRO 71 21.981 1.118 1.174 554 HD2 PRO 71 HD1 PRO 71 20.133 3.088 1.199 555 HD3 PRO 71 HD2 PRO 71 19.845 1.583 0.276 556 H LYS 72 H LYS 72 18.276 -1.158 4.601 557 HA LYS 72 HA LYS 72 17.961 -1.437 6.773 558 HB2 LYS 72 HB1 LYS 72 20.378 0.359 6.993 559 HB3 LYS 72 HB2 LYS 72 19.710 -0.713 8.262 560 HG2 LYS 72 HG1 LYS 72 19.729 -2.544 6.385 561 HG3 LYS 72 HG2 LYS 72 20.862 -1.498 5.525 562 HD2 LYS 72 HD1 LYS 72 21.285 -2.328 8.409 563 HD3 LYS 72 HD2 LYS 72 21.786 -3.304 6.995 564 HE2 LYS 72 HE1 LYS 72 22.914 -1.078 6.200 565 HE3 LYS 72 HE2 LYS 72 22.749 -0.535 7.860 566 HZ1 LYS 72 HZ1 LYS 72 24.137 -2.457 8.510 567 HZ2 LYS 72 HZ2 LYS 72 24.883 -1.683 7.216 568 HZ3 LYS 72 HZ3 LYS 72 24.076 -3.023 6.951 569 H GLY 73 H GLY 73 17.355 1.392 5.539 570 HA2 GLY 73 HA3 GLY 73 15.932 2.713 7.751 571 HA3 GLY 73 HA2 GLY 73 15.837 3.140 6.027 572 H ARG 74 H ARG 74 13.560 3.332 7.228 573 HA ARG 74 HA ARG 74 11.874 1.236 6.121 574 HB2 ARG 74 HB1 ARG 74 10.700 0.655 8.132 575 HB3 ARG 74 HB2 ARG 74 12.441 0.349 8.364 576 HG2 ARG 74 HG1 ARG 74 12.070 1.340 10.345 577 HG3 ARG 74 HG2 ARG 74 12.274 2.837 9.442 578 HD2 ARG 74 HD1 ARG 74 10.201 3.511 9.946 579 HD3 ARG 74 HD2 ARG 74 9.481 2.003 9.391 580 HE ARG 74 HE ARG 74 10.891 1.838 11.965 581 HH11 ARG 74 HH12 ARG 74 7.597 2.634 10.749 582 HH12 ARG 74 HH11 ARG 74 6.918 1.820 12.155 583 HH21 ARG 74 HH22 ARG 74 9.783 0.874 13.668 584 HH22 ARG 74 HH21 ARG 74 8.057 0.936 13.676 585 H VAL 75 H VAL 75 9.805 1.869 5.754 586 HA VAL 75 HA VAL 75 8.767 4.517 6.531 587 HB VAL 75 HB VAL 75 9.310 3.857 3.587 588 HG11 VAL 75 HG11 VAL 75 7.227 5.107 3.824 589 HG12 VAL 75 HG12 VAL 75 8.008 6.292 4.896 590 HG13 VAL 75 HG13 VAL 75 8.455 6.184 3.178 591 HG21 VAL 75 HG21 VAL 75 10.606 6.006 5.313 592 HG22 VAL 75 HG22 VAL 75 11.413 4.605 4.559 593 HG23 VAL 75 HG23 VAL 75 10.751 5.881 3.547 594 H GLU 76 H GLU 76 6.546 4.262 6.721 595 HA GLU 76 HA GLU 76 5.257 1.801 5.722 596 HB2 GLU 76 HB1 GLU 76 3.207 2.987 6.809 597 HB3 GLU 76 HB2 GLU 76 4.449 2.250 7.851 598 HG2 GLU 76 HG1 GLU 76 5.254 4.261 8.591 599 HG3 GLU 76 HG2 GLU 76 4.803 5.107 7.094 600 H LEU 77 H LEU 77 3.509 1.742 4.291 601 HA LEU 77 HA LEU 77 3.246 3.937 2.343 602 HB2 LEU 77 HB1 LEU 77 2.170 1.132 2.613 603 HB3 LEU 77 HB2 LEU 77 1.350 2.337 1.581 604 HG LEU 77 HG LEU 77 3.808 2.648 0.594 605 HD11 LEU 77 HD11 LEU 77 5.068 0.602 0.393 606 HD12 LEU 77 HD12 LEU 77 3.905 -0.262 1.393 607 HD13 LEU 77 HD13 LEU 77 4.911 1.014 2.116 608 HD21 LEU 77 HD21 LEU 77 1.789 0.533 -0.088 609 HD22 LEU 77 HD22 LEU 77 3.218 0.858 -1.111 610 HD23 LEU 77 HD23 LEU 77 2.031 2.126 -0.831 611 H LYS 78 H LYS 78 2.900 5.380 4.057 612 HA LYS 78 HA LYS 78 0.814 5.314 5.840 613 HB2 LYS 78 HB1 LYS 78 1.295 7.675 6.248 614 HB3 LYS 78 HB2 LYS 78 2.786 6.730 6.012 615 HG2 LYS 78 HG1 LYS 78 2.794 7.589 3.608 616 HG3 LYS 78 HG2 LYS 78 1.478 8.685 4.064 617 HD2 LYS 78 HD1 LYS 78 2.894 9.722 5.785 618 HD3 LYS 78 HD2 LYS 78 4.195 8.545 5.430 619 HE2 LYS 78 HE1 LYS 78 4.860 10.490 4.301 620 HE3 LYS 78 HE2 LYS 78 4.172 9.444 3.047 621 HZ1 LYS 78 HZ1 LYS 78 2.892 11.794 4.342 622 HZ2 LYS 78 HZ2 LYS 78 2.077 10.810 3.332 623 HZ3 LYS 78 HZ3 LYS 78 3.334 11.662 2.759 624 HA PRO 79 HA PRO 79 -2.906 6.186 3.647 625 HB2 PRO 79 HB1 PRO 79 -4.503 7.347 5.549 626 HB3 PRO 79 HB2 PRO 79 -4.036 5.619 5.595 627 HG2 PRO 79 HG1 PRO 79 -2.656 7.929 7.005 628 HG3 PRO 79 HG2 PRO 79 -3.265 6.405 7.736 629 HD2 PRO 79 HD1 PRO 79 -0.671 6.610 7.027 630 HD3 PRO 79 HD2 PRO 79 -1.569 5.121 6.611 631 H GLY 80 H GLY 80 -1.165 8.881 5.085 632 HA2 GLY 80 HA3 GLY 80 -2.577 10.844 3.368 633 HA3 GLY 80 HA2 GLY 80 -1.352 11.202 4.606 634 H GLY 81 H GLY 81 -1.334 8.943 1.805 635 HA2 GLY 81 HA3 GLY 81 0.166 10.259 -0.070 636 HA3 GLY 81 HA2 GLY 81 1.387 9.685 1.089 637 H TYR 82 H TYR 82 2.327 7.790 0.525 638 HA TYR 82 HA TYR 82 1.319 6.430 -1.798 639 HB2 TYR 82 HB1 TYR 82 3.609 5.751 0.061 640 HB3 TYR 82 HB2 TYR 82 3.260 4.927 -1.478 641 HD1 TYR 82 HD2 TYR 82 3.021 6.440 -3.558 642 HD2 TYR 82 HD1 TYR 82 5.187 7.528 0.003 643 HE1 TYR 82 HE2 TYR 82 4.381 7.991 -4.879 644 HE2 TYR 82 HE1 TYR 82 6.544 9.140 -1.317 645 HH TYR 82 HH TYR 82 6.986 9.996 -3.425 646 H HIS 83 H HIS 83 0.400 4.534 -2.074 647 HA HIS 83 HA HIS 83 -0.023 2.563 0.027 648 HB2 HIS 83 HB1 HIS 83 -2.366 2.784 0.402 649 HB3 HIS 83 HB2 HIS 83 -1.523 4.265 0.879 650 HD1 HIS 83 HD1 HIS 83 -1.846 6.395 -0.873 651 HD2 HIS 83 HD2 HIS 83 -4.212 2.956 -1.510 652 HE1 HIS 83 HE1 HIS 83 -3.531 6.981 -2.689 653 H PHE 84 H PHE 84 -1.478 0.731 -0.717 654 HA PHE 84 HA PHE 84 -1.384 0.529 -3.704 655 HB2 PHE 84 HB1 PHE 84 -1.961 -1.566 -1.593 656 HB3 PHE 84 HB2 PHE 84 -2.068 -1.832 -3.346 657 HD1 PHE 84 HD1 PHE 84 0.214 -1.272 -0.498 658 HD2 PHE 84 HD2 PHE 84 -0.061 -1.908 -4.751 659 HE1 PHE 84 HE1 PHE 84 2.660 -1.677 -0.611 660 HE2 PHE 84 HE2 PHE 84 2.369 -2.361 -4.840 661 HZ PHE 84 HZ PHE 84 3.714 -2.334 -2.737 662 H MET 85 H MET 85 -3.278 0.089 -4.886 663 HA MET 85 HA MET 85 -5.916 0.427 -3.484 664 HB2 MET 85 HB1 MET 85 -5.072 1.868 -5.642 665 HB3 MET 85 HB2 MET 85 -5.929 0.529 -6.435 666 HG2 MET 85 HG1 MET 85 -7.542 2.238 -6.041 667 HG3 MET 85 HG2 MET 85 -7.868 0.949 -4.875 668 HE1 MET 85 HE1 MET 85 -9.382 3.466 -4.344 669 HE2 MET 85 HE2 MET 85 -9.251 2.166 -3.133 670 HE3 MET 85 HE3 MET 85 -9.003 3.856 -2.643 671 H LEU 86 H LEU 86 -7.280 -1.319 -3.542 672 HA LEU 86 HA LEU 86 -6.409 -3.802 -4.999 673 HB2 LEU 86 HB1 LEU 86 -7.572 -3.278 -2.242 674 HB3 LEU 86 HB2 LEU 86 -7.744 -4.860 -3.042 675 HG LEU 86 HG LEU 86 -5.313 -5.163 -3.008 676 HD11 LEU 86 HD11 LEU 86 -4.380 -2.924 -3.052 677 HD12 LEU 86 HD12 LEU 86 -3.902 -3.677 -1.540 678 HD13 LEU 86 HD13 LEU 86 -5.221 -2.486 -1.545 679 HD21 LEU 86 HD21 LEU 86 -5.136 -5.475 -0.552 680 HD22 LEU 86 HD22 LEU 86 -6.741 -5.941 -1.136 681 HD23 LEU 86 HD23 LEU 86 -6.518 -4.382 -0.312 682 H LEU 87 H LEU 87 -7.946 -4.567 -6.432 683 HA LEU 87 HA LEU 87 -10.803 -3.839 -5.963 684 HB2 LEU 87 HB1 LEU 87 -9.329 -3.631 -8.608 685 HB3 LEU 87 HB2 LEU 87 -11.091 -3.493 -8.372 686 HG LEU 87 HG LEU 87 -10.266 -1.548 -6.667 687 HD11 LEU 87 HD11 LEU 87 -8.177 -1.531 -8.905 688 HD12 LEU 87 HD12 LEU 87 -7.825 -1.825 -7.194 689 HD13 LEU 87 HD13 LEU 87 -8.431 -0.247 -7.708 690 HD21 LEU 87 HD21 LEU 87 -10.756 0.039 -8.492 691 HD22 LEU 87 HD22 LEU 87 -11.907 -1.302 -8.441 692 HD23 LEU 87 HD23 LEU 87 -10.612 -1.302 -9.669 693 H GLY 88 H GLY 88 -12.286 -5.327 -6.402 694 HA2 GLY 88 HA3 GLY 88 -13.224 -7.341 -7.111 695 HA3 GLY 88 HA2 GLY 88 -11.704 -7.765 -7.930 696 H LEU 89 H LEU 89 -12.197 -6.852 -4.480 697 HA LEU 89 HA LEU 89 -10.638 -8.890 -3.474 698 HB2 LEU 89 HB1 LEU 89 -11.854 -8.575 -1.287 699 HB3 LEU 89 HB2 LEU 89 -10.972 -7.219 -2.004 700 HG LEU 89 HG LEU 89 -13.137 -6.214 -2.675 701 HD11 LEU 89 HD11 LEU 89 -14.371 -8.579 -1.209 702 HD12 LEU 89 HD12 LEU 89 -14.631 -8.093 -2.906 703 HD13 LEU 89 HD13 LEU 89 -15.241 -7.078 -1.602 704 HD21 LEU 89 HD21 LEU 89 -12.903 -6.921 0.262 705 HD22 LEU 89 HD22 LEU 89 -13.813 -5.551 -0.400 706 HD23 LEU 89 HD23 LEU 89 -12.051 -5.601 -0.571 707 H LYS 90 H LYS 90 -10.831 -10.640 -2.365 708 HA LYS 90 HA LYS 90 -13.007 -12.474 -3.321 709 HB2 LYS 90 HB1 LYS 90 -10.280 -13.248 -2.312 710 HB3 LYS 90 HB2 LYS 90 -11.467 -14.270 -3.151 711 HG2 LYS 90 HG1 LYS 90 -9.851 -11.969 -4.298 712 HG3 LYS 90 HG2 LYS 90 -9.707 -13.699 -4.677 713 HD2 LYS 90 HD1 LYS 90 -11.902 -13.652 -5.785 714 HD3 LYS 90 HD2 LYS 90 -12.080 -11.922 -5.364 715 HE2 LYS 90 HE1 LYS 90 -11.392 -11.854 -7.569 716 HE3 LYS 90 HE2 LYS 90 -9.924 -11.503 -6.653 717 HZ1 LYS 90 HZ1 LYS 90 -10.654 -14.075 -7.939 718 HZ2 LYS 90 HZ2 LYS 90 -9.252 -13.818 -7.050 719 HZ3 LYS 90 HZ3 LYS 90 -9.557 -13.031 -8.452 720 H ARG 91 H ARG 91 -12.053 -10.920 -0.507 721 HA ARG 91 HA ARG 91 -14.280 -12.176 0.918 722 HB2 ARG 91 HB1 ARG 91 -11.607 -11.611 2.262 723 HB3 ARG 91 HB2 ARG 91 -13.087 -12.104 3.096 724 HG2 ARG 91 HG1 ARG 91 -11.524 -13.813 1.126 725 HG3 ARG 91 HG2 ARG 91 -11.404 -13.895 2.908 726 HD2 ARG 91 HD1 ARG 91 -13.818 -14.491 3.007 727 HD3 ARG 91 HD2 ARG 91 -13.869 -14.507 1.239 728 HE ARG 91 HE ARG 91 -11.835 -16.188 2.578 729 HH11 ARG 91 HH12 ARG 91 -14.906 -16.161 0.865 730 HH12 ARG 91 HH11 ARG 91 -14.922 -17.885 0.632 731 HH21 ARG 91 HH22 ARG 91 -11.871 -18.389 2.255 732 HH22 ARG 91 HH21 ARG 91 -13.191 -19.140 1.408 733 HA PRO 92 HA PRO 92 -14.578 -7.636 1.754 734 HB2 PRO 92 HB1 PRO 92 -16.648 -7.648 3.530 735 HB3 PRO 92 HB2 PRO 92 -16.894 -7.847 1.768 736 HG2 PRO 92 HG1 PRO 92 -16.738 -10.008 3.883 737 HG3 PRO 92 HG2 PRO 92 -17.951 -9.830 2.565 738 HD2 PRO 92 HD1 PRO 92 -15.771 -11.495 2.374 739 HD3 PRO 92 HD2 PRO 92 -16.437 -10.636 0.954 740 H LEU 93 H LEU 93 -13.748 -6.412 3.507 741 HA LEU 93 HA LEU 93 -12.340 -8.003 5.550 742 HB2 LEU 93 HB1 LEU 93 -10.389 -6.835 5.121 743 HB3 LEU 93 HB2 LEU 93 -10.997 -7.463 3.583 744 HG LEU 93 HG LEU 93 -10.895 -4.572 4.532 745 HD11 LEU 93 HD11 LEU 93 -9.569 -6.110 2.246 746 HD12 LEU 93 HD12 LEU 93 -8.789 -5.573 3.750 747 HD13 LEU 93 HD13 LEU 93 -9.365 -4.380 2.572 748 HD21 LEU 93 HD21 LEU 93 -12.960 -4.718 3.227 749 HD22 LEU 93 HD22 LEU 93 -12.125 -5.661 1.976 750 HD23 LEU 93 HD23 LEU 93 -11.716 -3.955 2.242 751 H LYS 94 H LYS 94 -12.688 -7.495 7.407 752 HA LYS 94 HA LYS 94 -14.338 -5.125 8.128 753 HB2 LYS 94 HB1 LYS 94 -14.248 -7.982 9.123 754 HB3 LYS 94 HB2 LYS 94 -15.325 -6.741 9.791 755 HG2 LYS 94 HG1 LYS 94 -16.548 -6.553 7.755 756 HG3 LYS 94 HG2 LYS 94 -15.367 -7.500 6.840 757 HD2 LYS 94 HD1 LYS 94 -16.190 -9.046 9.132 758 HD3 LYS 94 HD2 LYS 94 -17.644 -8.412 8.324 759 HE2 LYS 94 HE1 LYS 94 -17.067 -10.601 7.384 760 HE3 LYS 94 HE2 LYS 94 -16.808 -9.331 6.163 761 HZ1 LYS 94 HZ1 LYS 94 -14.685 -10.723 7.752 762 HZ2 LYS 94 HZ2 LYS 94 -14.370 -9.441 6.897 763 HZ3 LYS 94 HZ3 LYS 94 -14.888 -10.756 6.124 764 H ALA 95 H ALA 95 -14.581 -4.899 10.558 765 HA ALA 95 HA ALA 95 -12.096 -3.637 11.373 766 HB1 ALA 95 HB1 ALA 95 -14.795 -3.866 12.782 767 HB2 ALA 95 HB2 ALA 95 -13.469 -2.792 13.254 768 HB3 ALA 95 HB3 ALA 95 -14.283 -2.547 11.696 769 H GLY 96 H GLY 96 -10.474 -4.914 12.029 770 HA2 GLY 96 HA3 GLY 96 -9.381 -5.945 13.894 771 HA3 GLY 96 HA2 GLY 96 -10.932 -6.653 14.397 772 H GLU 97 H GLU 97 -10.423 -7.003 11.012 773 HA GLU 97 HA GLU 97 -9.487 -9.810 11.284 774 HB2 GLU 97 HB1 GLU 97 -10.324 -8.130 8.886 775 HB3 GLU 97 HB2 GLU 97 -9.742 -9.816 8.780 776 HG2 GLU 97 HG1 GLU 97 -11.494 -10.497 10.390 777 HG3 GLU 97 HG2 GLU 97 -12.183 -8.876 10.337 778 H GLU 98 H GLU 98 -7.904 -10.120 9.081 779 HA GLU 98 HA GLU 98 -5.553 -8.485 9.208 780 HB2 GLU 98 HB1 GLU 98 -5.552 -11.417 10.036 781 HB3 GLU 98 HB2 GLU 98 -4.107 -10.452 9.635 782 HG2 GLU 98 HG1 GLU 98 -4.711 -8.930 11.562 783 HG3 GLU 98 HG2 GLU 98 -5.976 -10.086 12.015 784 H VAL 99 H VAL 99 -4.617 -8.592 7.346 785 HA VAL 99 HA VAL 99 -5.490 -10.553 5.247 786 HB VAL 99 HB VAL 99 -5.589 -7.517 5.137 787 HG11 VAL 99 HG11 VAL 99 -5.729 -9.503 2.830 788 HG12 VAL 99 HG12 VAL 99 -6.238 -7.798 2.725 789 HG13 VAL 99 HG13 VAL 99 -4.547 -8.194 3.033 790 HG21 VAL 99 HG21 VAL 99 -7.935 -7.904 4.482 791 HG22 VAL 99 HG22 VAL 99 -7.690 -9.662 4.536 792 HG23 VAL 99 HG23 VAL 99 -7.622 -8.710 6.021 793 H GLU 100 H GLU 100 -3.875 -11.496 4.324 794 HA GLU 100 HA GLU 100 -1.156 -10.516 4.673 795 HB2 GLU 100 HB1 GLU 100 -0.426 -12.635 3.863 796 HB3 GLU 100 HB2 GLU 100 -1.672 -12.847 5.108 797 HG2 GLU 100 HG1 GLU 100 -3.339 -13.289 3.308 798 HG3 GLU 100 HG2 GLU 100 -2.034 -13.134 2.103 799 H LEU 101 H LEU 101 0.398 -10.146 3.142 800 HA LEU 101 HA LEU 101 -0.244 -10.032 0.361 801 HB2 LEU 101 HB1 LEU 101 0.774 -7.495 0.610 802 HB3 LEU 101 HB2 LEU 101 -0.930 -7.979 0.357 803 HG LEU 101 HG LEU 101 -1.315 -7.790 2.754 804 HD11 LEU 101 HD11 LEU 101 0.251 -6.653 4.195 805 HD12 LEU 101 HD12 LEU 101 1.398 -6.402 2.851 806 HD13 LEU 101 HD13 LEU 101 1.089 -8.026 3.479 807 HD21 LEU 101 HD21 LEU 101 -1.954 -6.021 1.225 808 HD22 LEU 101 HD22 LEU 101 -0.333 -5.301 1.318 809 HD23 LEU 101 HD23 LEU 101 -1.389 -5.310 2.751 810 H ASP 102 H ASP 102 1.289 -9.811 -0.960 811 HA ASP 102 HA ASP 102 4.089 -10.487 -0.124 812 HB2 ASP 102 HB1 ASP 102 2.404 -11.104 -2.561 813 HB3 ASP 102 HB2 ASP 102 4.149 -11.380 -2.520 814 H LEU 103 H LEU 103 5.452 -8.783 -0.245 815 HA LEU 103 HA LEU 103 4.877 -6.427 -1.889 816 HB2 LEU 103 HB1 LEU 103 7.095 -7.320 -0.017 817 HB3 LEU 103 HB2 LEU 103 7.154 -5.783 -0.914 818 HG LEU 103 HG LEU 103 5.356 -4.877 0.313 819 HD11 LEU 103 HD11 LEU 103 4.919 -7.586 1.618 820 HD12 LEU 103 HD12 LEU 103 3.768 -6.648 0.648 821 HD13 LEU 103 HD13 LEU 103 4.257 -6.064 2.243 822 HD21 LEU 103 HD21 LEU 103 7.627 -4.905 1.335 823 HD22 LEU 103 HD22 LEU 103 7.215 -6.392 2.205 824 HD23 LEU 103 HD23 LEU 103 6.361 -4.881 2.575 825 H LEU 104 H LEU 104 5.663 -6.078 -3.941 826 HA LEU 104 HA LEU 104 7.515 -8.112 -5.089 827 HB2 LEU 104 HB1 LEU 104 5.586 -6.170 -6.393 828 HB3 LEU 104 HB2 LEU 104 6.570 -7.334 -7.260 829 HG LEU 104 HG LEU 104 4.232 -7.866 -5.388 830 HD11 LEU 104 HD11 LEU 104 3.202 -8.856 -7.402 831 HD12 LEU 104 HD12 LEU 104 4.650 -8.453 -8.350 832 HD13 LEU 104 HD13 LEU 104 3.636 -7.164 -7.667 833 HD21 LEU 104 HD21 LEU 104 5.853 -9.658 -4.975 834 HD22 LEU 104 HD22 LEU 104 6.026 -9.936 -6.725 835 HD23 LEU 104 HD23 LEU 104 4.488 -10.281 -5.901 836 H PHE 105 H PHE 105 9.540 -7.512 -5.077 837 HA PHE 105 HA PHE 105 10.336 -4.657 -5.478 838 HB2 PHE 105 HB1 PHE 105 11.706 -7.049 -4.230 839 HB3 PHE 105 HB2 PHE 105 12.480 -5.480 -4.492 840 HD1 PHE 105 HD1 PHE 105 11.527 -3.437 -3.352 841 HD2 PHE 105 HD2 PHE 105 10.240 -7.428 -2.325 842 HE1 PHE 105 HE1 PHE 105 10.714 -2.615 -1.167 843 HE2 PHE 105 HE2 PHE 105 9.487 -6.606 -0.116 844 HZ PHE 105 HZ PHE 105 9.725 -4.206 0.472 845 H ALA 106 H ALA 106 11.854 -4.117 -7.004 846 HA ALA 106 HA ALA 106 11.749 -5.268 -9.485 847 HB1 ALA 106 HB1 ALA 106 13.685 -3.834 -10.058 848 HB2 ALA 106 HB2 ALA 106 12.506 -2.984 -9.040 849 HB3 ALA 106 HB3 ALA 106 14.019 -3.600 -8.329 850 H GLY 107 H GLY 107 12.484 -7.003 -10.474 851 HA2 GLY 107 HA3 GLY 107 13.863 -8.704 -11.180 852 HA3 GLY 107 HA2 GLY 107 15.152 -8.071 -10.130 853 H GLY 108 H GLY 108 12.020 -9.818 -9.924 854 HA2 GLY 108 HA3 GLY 108 11.505 -11.857 -9.092 855 HA3 GLY 108 HA2 GLY 108 13.256 -12.153 -8.985 856 H LYS 109 H LYS 109 12.396 -9.553 -6.917 857 HA LYS 109 HA LYS 109 12.726 -11.392 -4.589 858 HB2 LYS 109 HB1 LYS 109 13.265 -8.471 -5.096 859 HB3 LYS 109 HB2 LYS 109 13.066 -9.072 -3.427 860 HG2 LYS 109 HG1 LYS 109 14.839 -10.644 -3.674 861 HG3 LYS 109 HG2 LYS 109 14.937 -10.391 -5.419 862 HD2 LYS 109 HD1 LYS 109 15.659 -8.391 -3.233 863 HD3 LYS 109 HD2 LYS 109 16.815 -9.312 -4.212 864 HE2 LYS 109 HE1 LYS 109 14.850 -7.219 -5.245 865 HE3 LYS 109 HE2 LYS 109 16.577 -6.942 -4.957 866 HZ1 LYS 109 HZ1 LYS 109 15.517 -8.942 -6.883 867 HZ2 LYS 109 HZ2 LYS 109 17.079 -8.456 -6.742 868 HZ3 LYS 109 HZ3 LYS 109 15.897 -7.431 -7.296 869 H VAL 110 H VAL 110 10.943 -12.148 -3.803 870 HA VAL 110 HA VAL 110 8.593 -10.368 -3.407 871 HB VAL 110 HB VAL 110 8.609 -13.402 -3.665 872 HG11 VAL 110 HG11 VAL 110 6.761 -12.650 -2.228 873 HG12 VAL 110 HG12 VAL 110 6.314 -11.402 -3.410 874 HG13 VAL 110 HG13 VAL 110 6.115 -13.125 -3.799 875 HG21 VAL 110 HG21 VAL 110 7.761 -11.244 -5.643 876 HG22 VAL 110 HG22 VAL 110 9.064 -12.428 -5.849 877 HG23 VAL 110 HG23 VAL 110 7.387 -12.973 -5.819 878 H LEU 111 H LEU 111 7.874 -10.080 -1.339 879 HA LEU 111 HA LEU 111 8.873 -11.862 0.846 880 HB2 LEU 111 HB1 LEU 111 10.356 -9.930 0.787 881 HB3 LEU 111 HB2 LEU 111 8.959 -8.823 0.714 882 HG LEU 111 HG LEU 111 8.313 -9.512 3.018 883 HD11 LEU 111 HD11 LEU 111 9.944 -10.778 4.404 884 HD12 LEU 111 HD12 LEU 111 10.915 -11.108 2.953 885 HD13 LEU 111 HD13 LEU 111 9.274 -11.777 3.111 886 HD21 LEU 111 HD21 LEU 111 10.121 -8.319 4.164 887 HD22 LEU 111 HD22 LEU 111 9.728 -7.529 2.629 888 HD23 LEU 111 HD23 LEU 111 11.186 -8.537 2.757 889 H LYS 112 H LYS 112 7.055 -12.746 1.750 890 HA LYS 112 HA LYS 112 4.576 -11.238 1.676 891 HB2 LYS 112 HB1 LYS 112 4.805 -13.780 1.422 892 HB3 LYS 112 HB2 LYS 112 4.895 -13.835 3.186 893 HG2 LYS 112 HG1 LYS 112 2.716 -12.877 3.420 894 HG3 LYS 112 HG2 LYS 112 2.698 -12.299 1.729 895 HD2 LYS 112 HD1 LYS 112 1.159 -14.081 1.914 896 HD3 LYS 112 HD2 LYS 112 2.526 -14.608 0.924 897 HE2 LYS 112 HE1 LYS 112 3.395 -15.960 2.738 898 HE3 LYS 112 HE2 LYS 112 2.248 -15.207 3.887 899 HZ1 LYS 112 HZ1 LYS 112 0.462 -16.184 2.746 900 HZ2 LYS 112 HZ2 LYS 112 1.473 -17.395 3.135 901 HZ3 LYS 112 HZ3 LYS 112 1.383 -16.818 1.568 902 H VAL 113 H VAL 113 3.652 -10.069 3.111 903 HA VAL 113 HA VAL 113 4.503 -9.976 5.974 904 HB VAL 113 HB VAL 113 3.561 -7.585 4.344 905 HG11 VAL 113 HG11 VAL 113 4.572 -6.259 6.265 906 HG12 VAL 113 HG12 VAL 113 3.154 -7.179 6.706 907 HG13 VAL 113 HG13 VAL 113 4.763 -7.790 7.145 908 HG21 VAL 113 HG21 VAL 113 6.431 -8.251 5.229 909 HG22 VAL 113 HG22 VAL 113 5.868 -8.257 3.552 910 HG23 VAL 113 HG23 VAL 113 5.922 -6.741 4.445 911 H VAL 114 H VAL 114 2.600 -8.938 7.237 912 HA VAL 114 HA VAL 114 -0.093 -9.419 6.141 913 HB VAL 114 HB VAL 114 0.714 -10.692 8.798 914 HG11 VAL 114 HG11 VAL 114 -1.679 -10.075 8.616 915 HG12 VAL 114 HG12 VAL 114 -1.801 -10.956 7.080 916 HG13 VAL 114 HG13 VAL 114 -1.493 -11.829 8.593 917 HG21 VAL 114 HG21 VAL 114 1.856 -12.022 7.125 918 HG22 VAL 114 HG22 VAL 114 0.455 -12.916 7.715 919 HG23 VAL 114 HG23 VAL 114 0.386 -12.111 6.135 920 H LEU 115 H LEU 115 -1.528 -7.926 6.980 921 HA LEU 115 HA LEU 115 -0.759 -6.406 9.432 922 HB2 LEU 115 HB1 LEU 115 -1.628 -5.279 6.754 923 HB3 LEU 115 HB2 LEU 115 -1.779 -4.392 8.302 924 HG LEU 115 HG LEU 115 0.023 -3.446 7.331 925 HD11 LEU 115 HD11 LEU 115 1.922 -3.856 8.680 926 HD12 LEU 115 HD12 LEU 115 1.478 -5.538 8.965 927 HD13 LEU 115 HD13 LEU 115 0.512 -4.246 9.687 928 HD21 LEU 115 HD21 LEU 115 1.076 -6.140 6.458 929 HD22 LEU 115 HD22 LEU 115 1.941 -4.605 6.302 930 HD23 LEU 115 HD23 LEU 115 0.399 -4.838 5.456 931 HA PRO 116 HA PRO 116 -5.080 -7.066 10.487 932 HB2 PRO 116 HB1 PRO 116 -5.595 -4.911 12.092 933 HB3 PRO 116 HB2 PRO 116 -4.641 -6.338 12.600 934 HG2 PRO 116 HG1 PRO 116 -3.599 -3.707 11.497 935 HG3 PRO 116 HG2 PRO 116 -3.068 -4.568 12.989 936 HD2 PRO 116 HD1 PRO 116 -1.689 -4.861 10.685 937 HD3 PRO 116 HD2 PRO 116 -2.022 -6.287 11.716 938 H VAL 117 H VAL 117 -7.229 -6.078 10.249 939 HA VAL 117 HA VAL 117 -7.324 -3.940 8.152 940 HB VAL 117 HB VAL 117 -9.412 -5.936 9.019 941 HG11 VAL 117 HG11 VAL 117 -9.451 -3.873 6.744 942 HG12 VAL 117 HG12 VAL 117 -10.640 -5.159 6.962 943 HG13 VAL 117 HG13 VAL 117 -10.520 -3.878 8.167 944 HG21 VAL 117 HG21 VAL 117 -7.834 -5.819 6.425 945 HG22 VAL 117 HG22 VAL 117 -7.532 -6.961 7.753 946 HG23 VAL 117 HG23 VAL 117 -9.062 -7.019 6.889 947 H GLU 118 H GLU 118 -8.045 -1.967 8.600 948 HA GLU 118 HA GLU 118 -9.485 -1.440 11.142 949 HB2 GLU 118 HB1 GLU 118 -6.974 -0.621 10.539 950 HB3 GLU 118 HB2 GLU 118 -7.897 0.701 9.789 951 HG2 GLU 118 HG1 GLU 118 -9.192 0.809 12.022 952 HG3 GLU 118 HG2 GLU 118 -7.899 -0.227 12.665 953 H ALA 119 H ALA 119 -11.078 0.160 11.156 954 HA ALA 119 HA ALA 119 -12.368 0.718 8.543 955 HB1 ALA 119 HB1 ALA 119 -13.515 0.717 11.357 956 HB2 ALA 119 HB2 ALA 119 -14.415 0.992 9.855 957 HB3 ALA 119 HB3 ALA 119 -13.679 -0.593 10.156 958 H ARG 120 H ARG 120 -10.609 2.313 8.229 959 HA ARG 120 HA ARG 120 -11.390 5.008 9.157 960 HB2 ARG 120 HB1 ARG 120 -9.396 3.932 10.336 961 HB3 ARG 120 HB2 ARG 120 -8.571 3.919 8.778 962 HG2 ARG 120 HG1 ARG 120 -9.247 6.477 8.755 963 HG3 ARG 120 HG2 ARG 120 -9.470 6.220 10.494 964 HD2 ARG 120 HD1 ARG 120 -6.932 5.930 8.832 965 HD3 ARG 120 HD2 ARG 120 -7.247 7.124 10.099 966 HE ARG 120 HE ARG 120 -7.342 4.332 11.037 967 HH11 ARG 120 HH12 ARG 120 -5.229 7.068 10.712 968 HH12 ARG 120 HH11 ARG 120 -3.925 6.239 11.546 969 HH21 ARG 120 HH22 ARG 120 -5.741 3.387 12.128 970 HH22 ARG 120 HH21 ARG 120 -4.224 4.187 12.361 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 6.374 -10.069 7.668 2 H2 GLY 1 2H GLY 1 6.131 -11.576 8.257 3 H3 GLY 1 3H GLY 1 5.741 -11.241 6.687 4 HA2 GLY 1 HA3 GLY 1 7.843 -12.515 6.926 5 HA3 GLY 1 HA2 GLY 1 8.011 -10.966 6.068 6 H SER 2 H SER 2 9.463 -9.435 6.931 7 HA SER 2 HA SER 2 10.161 -9.345 9.749 8 HB2 SER 2 HB1 SER 2 9.809 -7.095 7.738 9 HB3 SER 2 HB2 SER 2 10.646 -7.004 9.310 10 HG SER 2 HG SER 2 12.203 -7.291 7.880 11 H PHE 3 H PHE 3 9.274 -7.230 10.877 12 HA PHE 3 HA PHE 3 6.382 -7.329 11.229 13 HB2 PHE 3 HB1 PHE 3 6.793 -5.528 12.799 14 HB3 PHE 3 HB2 PHE 3 7.962 -6.821 13.085 15 HD1 PHE 3 HD2 PHE 3 10.370 -6.520 12.353 16 HD2 PHE 3 HD1 PHE 3 7.497 -3.298 12.153 17 HE1 PHE 3 HE2 PHE 3 12.202 -4.897 12.003 18 HE2 PHE 3 HE1 PHE 3 9.329 -1.690 11.834 19 HZ PHE 3 HZ PHE 3 11.699 -2.487 11.734 20 H THR 4 H THR 4 5.355 -5.020 11.207 21 HA THR 4 HA THR 4 6.194 -3.015 9.429 22 HB THR 4 HB THR 4 5.439 -4.690 7.691 23 HG1 THR 4 HG1 THR 4 5.389 -2.698 7.010 24 HG21 THR 4 HG21 THR 4 3.036 -4.970 7.299 25 HG22 THR 4 HG22 THR 4 2.644 -4.137 8.799 26 HG23 THR 4 HG23 THR 4 3.484 -5.700 8.857 27 H GLU 5 H GLU 5 4.860 -1.113 9.802 28 HA GLU 5 HA GLU 5 2.830 -1.450 11.964 29 HB2 GLU 5 HB1 GLU 5 4.163 1.045 10.866 30 HB3 GLU 5 HB2 GLU 5 2.937 0.972 12.172 31 HG2 GLU 5 HG1 GLU 5 4.886 1.181 13.357 32 HG3 GLU 5 HG2 GLU 5 4.603 -0.552 13.412 33 H GLY 6 H GLY 6 1.623 -2.660 10.036 34 HA2 GLY 6 HA3 GLY 6 0.314 -0.646 8.274 35 HA3 GLY 6 HA2 GLY 6 0.869 -2.240 7.716 36 H TRP 7 H TRP 7 -1.635 -1.466 7.171 37 HA TRP 7 HA TRP 7 -3.252 -3.535 8.439 38 HB2 TRP 7 HB1 TRP 7 -5.031 -2.124 9.159 39 HB3 TRP 7 HB2 TRP 7 -3.552 -1.572 9.941 40 HD1 TRP 7 HD TRP 7 -6.360 -0.476 7.737 41 HE1 TRP 7 HE1 TRP 7 -6.154 2.008 7.108 42 HE3 TRP 7 3HE TRP 7 -1.622 0.422 9.477 43 HZ2 TRP 7 HZ2 TRP 7 -4.220 4.117 7.368 44 HZ3 TRP 7 HZ3 TRP 7 -0.616 2.663 9.252 45 HH2 TRP 7 HH TRP 7 -1.901 4.522 8.223 46 H VAL 8 H VAL 8 -5.147 -4.066 7.250 47 HA VAL 8 HA VAL 8 -5.330 -2.996 4.453 48 HB VAL 8 HB VAL 8 -6.627 -5.381 5.808 49 HG11 VAL 8 HG11 VAL 8 -7.172 -4.238 3.024 50 HG12 VAL 8 HG12 VAL 8 -7.716 -5.832 3.592 51 HG13 VAL 8 HG13 VAL 8 -8.346 -4.371 4.353 52 HG21 VAL 8 HG21 VAL 8 -5.493 -6.631 3.966 53 HG22 VAL 8 HG22 VAL 8 -4.757 -5.116 3.403 54 HG23 VAL 8 HG23 VAL 8 -4.340 -5.776 4.996 55 H ARG 9 H ARG 9 -6.664 -1.370 4.125 56 HA ARG 9 HA ARG 9 -8.236 -0.303 6.327 57 HB2 ARG 9 HB1 ARG 9 -6.801 0.978 4.748 58 HB3 ARG 9 HB2 ARG 9 -7.965 0.671 3.460 59 HG2 ARG 9 HG1 ARG 9 -8.578 2.144 6.048 60 HG3 ARG 9 HG2 ARG 9 -8.164 2.910 4.490 61 HD2 ARG 9 HD1 ARG 9 -10.184 1.407 3.625 62 HD3 ARG 9 HD2 ARG 9 -10.665 1.504 5.338 63 HE ARG 9 HE ARG 9 -10.290 4.040 4.963 64 HH11 ARG 9 HH12 ARG 9 -12.158 1.769 3.084 65 HH12 ARG 9 HH11 ARG 9 -13.049 2.992 2.216 66 HH21 ARG 9 HH22 ARG 9 -11.419 5.605 3.892 67 HH22 ARG 9 HH21 ARG 9 -12.678 5.211 2.748 68 H PHE 10 H PHE 10 -10.221 -0.978 6.792 69 HA PHE 10 HA PHE 10 -11.824 -2.714 5.335 70 HB2 PHE 10 HB1 PHE 10 -12.069 -2.404 7.700 71 HB3 PHE 10 HB2 PHE 10 -12.506 -0.698 7.500 72 HD1 PHE 10 HD1 PHE 10 -13.706 -4.199 7.143 73 HD2 PHE 10 HD2 PHE 10 -14.705 -0.024 6.731 74 HE1 PHE 10 HE1 PHE 10 -16.078 -4.800 6.721 75 HE2 PHE 10 HE2 PHE 10 -17.028 -0.632 6.160 76 HZ PHE 10 HZ PHE 10 -17.737 -3.032 6.188 77 H SER 11 H SER 11 -13.869 -2.565 4.280 78 HA SER 11 HA SER 11 -15.055 -0.083 3.523 79 HB2 SER 11 HB1 SER 11 -13.093 -0.238 1.913 80 HB3 SER 11 HB2 SER 11 -13.794 -1.747 1.289 81 HG SER 11 HG SER 11 -14.382 -0.081 -0.002 82 HA PRO 12 HA PRO 12 -18.249 -3.261 2.882 83 HB2 PRO 12 HB1 PRO 12 -20.414 -1.732 2.439 84 HB3 PRO 12 HB2 PRO 12 -19.558 -1.639 4.010 85 HG2 PRO 12 HG1 PRO 12 -19.226 0.197 1.609 86 HG3 PRO 12 HG2 PRO 12 -19.543 0.666 3.318 87 HD2 PRO 12 HD1 PRO 12 -17.010 0.572 2.214 88 HD3 PRO 12 HD2 PRO 12 -17.332 0.223 3.935 89 H GLY 13 H GLY 13 -16.601 -1.741 0.505 90 HA2 GLY 13 HA3 GLY 13 -18.517 -2.284 -1.701 91 HA3 GLY 13 HA2 GLY 13 -17.307 -0.980 -1.690 92 HA PRO 14 HA PRO 14 -15.747 -4.622 -4.173 93 HB2 PRO 14 HB1 PRO 14 -15.029 -3.230 -6.428 94 HB3 PRO 14 HB2 PRO 14 -16.690 -3.814 -6.124 95 HG2 PRO 14 HG1 PRO 14 -15.557 -1.052 -5.592 96 HG3 PRO 14 HG2 PRO 14 -17.090 -1.478 -6.435 97 HD2 PRO 14 HD1 PRO 14 -17.058 -0.771 -3.807 98 HD3 PRO 14 HD2 PRO 14 -18.140 -2.064 -4.395 99 H ASN 15 H ASN 15 -14.303 -1.497 -3.270 100 HA ASN 15 HA ASN 15 -11.660 -2.747 -3.278 101 HB2 ASN 15 HB1 ASN 15 -10.881 -0.466 -3.972 102 HB3 ASN 15 HB2 ASN 15 -11.745 -1.407 -5.186 103 HD21 ASN 15 HD21 ASN 15 -11.814 0.752 -6.243 104 HD22 ASN 15 HD22 ASN 15 -13.152 1.799 -5.816 105 H ALA 16 H ALA 16 -10.121 -1.871 -2.137 106 HA ALA 16 HA ALA 16 -10.572 -0.304 0.337 107 HB1 ALA 16 HB1 ALA 16 -9.333 -3.092 -0.004 108 HB2 ALA 16 HB2 ALA 16 -9.162 -2.127 1.463 109 HB3 ALA 16 HB3 ALA 16 -10.766 -2.673 0.957 110 H ALA 17 H ALA 17 -8.154 -0.226 1.317 111 HA ALA 17 HA ALA 17 -6.086 0.114 -0.746 112 HB1 ALA 17 HB1 ALA 17 -6.892 2.399 -0.462 113 HB2 ALA 17 HB2 ALA 17 -6.854 2.248 1.308 114 HB3 ALA 17 HB3 ALA 17 -5.340 2.245 0.392 115 H ALA 18 H ALA 18 -3.917 -0.008 0.345 116 HA ALA 18 HA ALA 18 -3.952 -1.050 3.145 117 HB1 ALA 18 HB1 ALA 18 -2.239 -2.697 2.577 118 HB2 ALA 18 HB2 ALA 18 -3.713 -2.991 1.637 119 HB3 ALA 18 HB3 ALA 18 -2.303 -2.219 0.867 120 H TYR 19 H TYR 19 -2.482 -0.239 4.432 121 HA TYR 19 HA TYR 19 -0.423 1.705 3.440 122 HB2 TYR 19 HB1 TYR 19 -2.218 1.853 5.894 123 HB3 TYR 19 HB2 TYR 19 -0.994 3.036 5.445 124 HD1 TYR 19 HD2 TYR 19 -4.362 1.691 4.692 125 HD2 TYR 19 HD1 TYR 19 -1.438 4.686 3.697 126 HE1 TYR 19 HE2 TYR 19 -6.106 2.993 3.472 127 HE2 TYR 19 HE1 TYR 19 -3.199 6.047 2.580 128 HH TYR 19 HH TYR 19 -5.447 6.193 2.054 129 H LEU 20 H LEU 20 1.612 1.373 4.450 130 HA LEU 20 HA LEU 20 2.001 -0.361 6.726 131 HB2 LEU 20 HB1 LEU 20 2.746 -2.371 5.588 132 HB3 LEU 20 HB2 LEU 20 1.071 -2.022 5.145 133 HG LEU 20 HG LEU 20 2.462 -0.790 3.089 134 HD11 LEU 20 HD11 LEU 20 4.160 -2.409 2.316 135 HD12 LEU 20 HD12 LEU 20 3.987 -3.332 3.823 136 HD13 LEU 20 HD13 LEU 20 4.633 -1.683 3.862 137 HD21 LEU 20 HD21 LEU 20 1.539 -3.682 3.148 138 HD22 LEU 20 HD22 LEU 20 1.825 -2.702 1.695 139 HD23 LEU 20 HD23 LEU 20 0.517 -2.266 2.810 140 H THR 21 H THR 21 4.094 -0.695 7.335 141 HA THR 21 HA THR 21 6.173 1.084 6.305 142 HB THR 21 HB THR 21 6.219 -1.035 8.481 143 HG1 THR 21 HG1 THR 21 6.147 0.918 9.769 144 HG21 THR 21 HG21 THR 21 8.211 0.113 9.279 145 HG22 THR 21 HG22 THR 21 8.174 1.221 7.878 146 HG23 THR 21 HG23 THR 21 8.504 -0.521 7.673 147 H LEU 22 H LEU 22 7.471 0.601 4.716 148 HA LEU 22 HA LEU 22 8.348 -2.180 4.145 149 HB2 LEU 22 HB1 LEU 22 8.562 0.474 2.814 150 HB3 LEU 22 HB2 LEU 22 10.024 -0.516 2.722 151 HG LEU 22 HG LEU 22 8.476 -0.671 0.762 152 HD11 LEU 22 HD11 LEU 22 10.120 -2.442 1.254 153 HD12 LEU 22 HD12 LEU 22 8.642 -3.069 0.496 154 HD13 LEU 22 HD13 LEU 22 8.913 -3.302 2.236 155 HD21 LEU 22 HD21 LEU 22 6.409 -1.947 0.897 156 HD22 LEU 22 HD22 LEU 22 6.330 -0.603 2.055 157 HD23 LEU 22 HD23 LEU 22 6.656 -2.261 2.616 158 H GLU 23 H GLU 23 9.947 -3.013 5.177 159 HA GLU 23 HA GLU 23 12.023 -1.375 6.552 160 HB2 GLU 23 HB1 GLU 23 10.901 -3.186 7.877 161 HB3 GLU 23 HB2 GLU 23 11.444 -4.351 6.656 162 HG2 GLU 23 HG1 GLU 23 13.837 -3.440 7.210 163 HG3 GLU 23 HG2 GLU 23 13.083 -2.738 8.650 164 H ASN 24 H ASN 24 14.066 -1.420 5.652 165 HA ASN 24 HA ASN 24 14.555 -3.164 3.253 166 HB2 ASN 24 HB1 ASN 24 14.426 -0.594 3.116 167 HB3 ASN 24 HB2 ASN 24 15.948 -0.558 3.988 168 HD21 ASN 24 HD21 ASN 24 17.406 -2.638 2.681 169 HD22 ASN 24 HD22 ASN 24 17.563 -2.218 0.993 170 HA PRO 25 HA PRO 25 17.093 -4.528 6.903 171 HB2 PRO 25 HB1 PRO 25 16.953 -7.260 6.513 172 HB3 PRO 25 HB2 PRO 25 15.696 -6.301 7.355 173 HG2 PRO 25 HG1 PRO 25 15.751 -7.126 4.432 174 HG3 PRO 25 HG2 PRO 25 14.407 -7.331 5.609 175 HD2 PRO 25 HD1 PRO 25 14.431 -5.236 3.908 176 HD3 PRO 25 HD2 PRO 25 13.962 -5.007 5.617 177 H GLY 26 H GLY 26 17.519 -5.177 3.458 178 HA2 GLY 26 HA3 GLY 26 20.183 -6.284 3.698 179 HA3 GLY 26 HA2 GLY 26 19.348 -5.761 2.219 180 H ASP 27 H ASP 27 21.762 -5.186 2.107 181 HA ASP 27 HA ASP 27 22.570 -2.652 3.338 182 HB2 ASP 27 HB1 ASP 27 23.890 -4.982 1.885 183 HB3 ASP 27 HB2 ASP 27 24.752 -3.562 2.483 184 H LEU 28 H LEU 28 21.047 -3.516 0.626 185 HA LEU 28 HA LEU 28 22.027 -1.252 -1.001 186 HB2 LEU 28 HB1 LEU 28 21.648 -2.556 -3.013 187 HB3 LEU 28 HB2 LEU 28 22.800 -3.342 -1.886 188 HG LEU 28 HG LEU 28 20.726 -4.769 -1.165 189 HD11 LEU 28 HD11 LEU 28 19.815 -3.825 -3.929 190 HD12 LEU 28 HD12 LEU 28 18.944 -3.587 -2.402 191 HD13 LEU 28 HD13 LEU 28 19.140 -5.210 -3.047 192 HD21 LEU 28 HD21 LEU 28 21.239 -6.405 -2.944 193 HD22 LEU 28 HD22 LEU 28 22.712 -5.648 -2.324 194 HD23 LEU 28 HD23 LEU 28 22.046 -5.133 -3.889 195 HA PRO 29 HA PRO 29 17.938 0.149 -0.623 196 HB2 PRO 29 HB1 PRO 29 17.490 1.691 -2.825 197 HB3 PRO 29 HB2 PRO 29 18.709 2.101 -1.586 198 HG2 PRO 29 HG1 PRO 29 19.127 0.745 -4.253 199 HG3 PRO 29 HG2 PRO 29 20.102 2.059 -3.516 200 HD2 PRO 29 HD1 PRO 29 20.779 -0.629 -3.428 201 HD3 PRO 29 HD2 PRO 29 21.271 0.513 -2.162 202 H LEU 30 H LEU 30 15.883 -0.431 -0.906 203 HA LEU 30 HA LEU 30 15.212 -2.308 -3.106 204 HB2 LEU 30 HB1 LEU 30 13.913 -1.642 -0.455 205 HB3 LEU 30 HB2 LEU 30 13.034 -2.544 -1.696 206 HG LEU 30 HG LEU 30 15.735 -3.382 -0.661 207 HD11 LEU 30 HD11 LEU 30 14.583 -4.905 0.899 208 HD12 LEU 30 HD12 LEU 30 13.000 -4.369 0.293 209 HD13 LEU 30 HD13 LEU 30 14.024 -3.247 1.192 210 HD21 LEU 30 HD21 LEU 30 15.116 -5.624 -1.430 211 HD22 LEU 30 HD22 LEU 30 15.109 -4.473 -2.775 212 HD23 LEU 30 HD23 LEU 30 13.573 -5.004 -2.046 213 H ARG 31 H ARG 31 13.474 -2.163 -4.231 214 HA ARG 31 HA ARG 31 12.144 0.486 -4.663 215 HB2 ARG 31 HB1 ARG 31 14.015 0.349 -6.236 216 HB3 ARG 31 HB2 ARG 31 13.413 -1.233 -6.810 217 HG2 ARG 31 HG1 ARG 31 11.815 -0.299 -8.108 218 HG3 ARG 31 HG2 ARG 31 11.411 0.964 -6.924 219 HD2 ARG 31 HD1 ARG 31 12.291 1.792 -9.112 220 HD3 ARG 31 HD2 ARG 31 13.117 2.391 -7.677 221 HE ARG 31 HE ARG 31 14.132 0.288 -9.562 222 HH11 ARG 31 HH12 ARG 31 14.905 2.705 -7.057 223 HH12 ARG 31 HH11 ARG 31 16.547 2.754 -7.422 224 HH21 ARG 31 HH22 ARG 31 16.378 0.291 -9.933 225 HH22 ARG 31 HH21 ARG 31 17.379 1.403 -9.034 226 H LEU 32 H LEU 32 10.074 0.080 -4.323 227 HA LEU 32 HA LEU 32 8.919 -2.637 -4.675 228 HB2 LEU 32 HB1 LEU 32 8.809 -1.507 -2.530 229 HB3 LEU 32 HB2 LEU 32 8.034 -0.089 -3.266 230 HG LEU 32 HG LEU 32 6.106 -1.739 -3.901 231 HD11 LEU 32 HD11 LEU 32 7.315 -3.856 -3.469 232 HD12 LEU 32 HD12 LEU 32 5.922 -3.706 -2.387 233 HD13 LEU 32 HD13 LEU 32 7.557 -3.388 -1.776 234 HD21 LEU 32 HD21 LEU 32 5.221 -1.550 -1.507 235 HD22 LEU 32 HD22 LEU 32 5.787 -0.047 -2.255 236 HD23 LEU 32 HD23 LEU 32 6.809 -0.883 -1.072 237 H VAL 33 H VAL 33 8.072 -3.014 -6.586 238 HA VAL 33 HA VAL 33 6.932 -0.802 -8.252 239 HB VAL 33 HB VAL 33 7.206 -2.314 -10.165 240 HG11 VAL 33 HG11 VAL 33 9.103 -0.842 -9.628 241 HG12 VAL 33 HG12 VAL 33 9.780 -2.070 -8.538 242 HG13 VAL 33 HG13 VAL 33 9.673 -2.372 -10.283 243 HG21 VAL 33 HG21 VAL 33 8.603 -4.282 -8.304 244 HG22 VAL 33 HG22 VAL 33 6.993 -4.539 -9.016 245 HG23 VAL 33 HG23 VAL 33 8.413 -4.420 -10.054 246 H GLY 34 H GLY 34 6.080 -3.698 -6.443 247 HA2 GLY 34 HA3 GLY 34 3.249 -3.463 -7.130 248 HA3 GLY 34 HA2 GLY 34 4.049 -4.960 -7.659 249 H ALA 35 H ALA 35 2.090 -5.528 -6.196 250 HA ALA 35 HA ALA 35 3.175 -6.822 -3.880 251 HB1 ALA 35 HB1 ALA 35 1.307 -5.962 -2.347 252 HB2 ALA 35 HB2 ALA 35 2.634 -4.856 -2.677 253 HB3 ALA 35 HB3 ALA 35 1.073 -4.649 -3.514 254 H ARG 36 H ARG 36 1.031 -8.063 -2.773 255 HA ARG 36 HA ARG 36 -1.035 -8.698 -4.681 256 HB2 ARG 36 HB1 ARG 36 0.351 -10.004 -5.936 257 HB3 ARG 36 HB2 ARG 36 1.347 -10.529 -4.584 258 HG2 ARG 36 HG1 ARG 36 -0.542 -11.977 -3.813 259 HG3 ARG 36 HG2 ARG 36 -1.450 -11.493 -5.261 260 HD2 ARG 36 HD1 ARG 36 0.488 -12.364 -6.646 261 HD3 ARG 36 HD2 ARG 36 1.204 -13.000 -5.158 262 HE ARG 36 HE ARG 36 -1.089 -14.031 -6.651 263 HH11 ARG 36 HH12 ARG 36 0.470 -14.119 -3.423 264 HH12 ARG 36 HH11 ARG 36 -0.300 -15.617 -3.025 265 HH21 ARG 36 HH22 ARG 36 -2.056 -15.926 -6.020 266 HH22 ARG 36 HH21 ARG 36 -1.683 -16.653 -4.484 267 H THR 37 H THR 37 -2.696 -10.084 -3.714 268 HA THR 37 HA THR 37 -2.366 -10.736 -0.857 269 HB THR 37 HB THR 37 -2.899 -8.499 -0.579 270 HG1 THR 37 HG1 THR 37 -4.181 -9.355 0.773 271 HG21 THR 37 HG21 THR 37 -5.093 -8.841 -2.673 272 HG22 THR 37 HG22 THR 37 -3.697 -7.740 -2.753 273 HG23 THR 37 HG23 THR 37 -4.986 -7.450 -1.577 274 HA PRO 38 HA PRO 38 -5.467 -13.728 -2.126 275 HB2 PRO 38 HB1 PRO 38 -6.527 -14.506 0.263 276 HB3 PRO 38 HB2 PRO 38 -4.857 -14.894 -0.281 277 HG2 PRO 38 HG1 PRO 38 -5.705 -12.677 1.580 278 HG3 PRO 38 HG2 PRO 38 -4.403 -13.897 1.832 279 HD2 PRO 38 HD1 PRO 38 -3.916 -11.394 0.833 280 HD3 PRO 38 HD2 PRO 38 -2.973 -12.791 0.278 281 H VAL 39 H VAL 39 -6.203 -10.715 -0.744 282 HA VAL 39 HA VAL 39 -9.121 -11.038 -1.400 283 HB VAL 39 HB VAL 39 -9.708 -9.499 0.386 284 HG11 VAL 39 HG11 VAL 39 -8.077 -11.838 1.448 285 HG12 VAL 39 HG12 VAL 39 -9.429 -11.007 2.234 286 HG13 VAL 39 HG13 VAL 39 -9.718 -11.949 0.761 287 HG21 VAL 39 HG21 VAL 39 -6.832 -9.734 1.376 288 HG22 VAL 39 HG22 VAL 39 -7.473 -8.274 0.593 289 HG23 VAL 39 HG23 VAL 39 -8.153 -8.828 2.130 290 H ALA 40 H ALA 40 -7.486 -10.260 -3.407 291 HA ALA 40 HA ALA 40 -9.147 -8.055 -4.313 292 HB1 ALA 40 HB1 ALA 40 -7.375 -6.546 -5.016 293 HB2 ALA 40 HB2 ALA 40 -7.213 -6.797 -3.272 294 HB3 ALA 40 HB3 ALA 40 -6.118 -7.629 -4.401 295 H GLU 41 H GLU 41 -8.623 -7.670 -6.689 296 HA GLU 41 HA GLU 41 -7.194 -9.953 -7.989 297 HB2 GLU 41 HB1 GLU 41 -9.758 -9.639 -8.472 298 HB3 GLU 41 HB2 GLU 41 -9.258 -8.251 -9.443 299 HG2 GLU 41 HG1 GLU 41 -9.351 -10.070 -10.971 300 HG3 GLU 41 HG2 GLU 41 -7.624 -9.893 -10.631 301 H ARG 42 H ARG 42 -8.200 -6.544 -8.464 302 HA ARG 42 HA ARG 42 -5.564 -5.883 -9.683 303 HB2 ARG 42 HB1 ARG 42 -8.066 -4.234 -9.254 304 HB3 ARG 42 HB2 ARG 42 -6.503 -3.570 -9.800 305 HG2 ARG 42 HG1 ARG 42 -6.589 -5.205 -11.729 306 HG3 ARG 42 HG2 ARG 42 -8.244 -5.630 -11.223 307 HD2 ARG 42 HD1 ARG 42 -8.437 -4.004 -12.976 308 HD3 ARG 42 HD2 ARG 42 -8.849 -3.181 -11.460 309 HE ARG 42 HE ARG 42 -6.928 -1.835 -11.661 310 HH11 ARG 42 HH12 ARG 42 -6.724 -4.318 -14.194 311 HH12 ARG 42 HH11 ARG 42 -5.431 -3.457 -14.995 312 HH21 ARG 42 HH22 ARG 42 -5.393 -0.908 -12.591 313 HH22 ARG 42 HH21 ARG 42 -4.597 -1.505 -14.041 314 H VAL 43 H VAL 43 -4.095 -5.951 -8.181 315 HA VAL 43 HA VAL 43 -4.260 -4.085 -5.871 316 HB VAL 43 HB VAL 43 -2.731 -6.077 -5.796 317 HG11 VAL 43 HG11 VAL 43 -1.897 -5.974 -8.151 318 HG12 VAL 43 HG12 VAL 43 -0.989 -4.496 -7.746 319 HG13 VAL 43 HG13 VAL 43 -0.595 -6.018 -6.961 320 HG21 VAL 43 HG21 VAL 43 -2.462 -4.128 -4.296 321 HG22 VAL 43 HG22 VAL 43 -0.935 -4.945 -4.661 322 HG23 VAL 43 HG23 VAL 43 -1.320 -3.404 -5.453 323 H GLU 44 H GLU 44 -3.225 -1.963 -6.060 324 HA GLU 44 HA GLU 44 -2.090 -1.133 -8.665 325 HB2 GLU 44 HB1 GLU 44 -4.823 -0.956 -8.233 326 HB3 GLU 44 HB2 GLU 44 -4.282 0.669 -7.812 327 HG2 GLU 44 HG1 GLU 44 -3.220 0.912 -10.015 328 HG3 GLU 44 HG2 GLU 44 -3.617 -0.773 -10.415 329 H LEU 45 H LEU 45 -0.270 0.052 -8.156 330 HA LEU 45 HA LEU 45 -0.005 1.068 -5.436 331 HB2 LEU 45 HB1 LEU 45 1.814 -0.136 -6.512 332 HB3 LEU 45 HB2 LEU 45 1.871 1.069 -7.825 333 HG LEU 45 HG LEU 45 2.563 2.794 -6.212 334 HD11 LEU 45 HD11 LEU 45 1.562 1.878 -4.109 335 HD12 LEU 45 HD12 LEU 45 3.262 2.306 -3.960 336 HD13 LEU 45 HD13 LEU 45 2.810 0.607 -4.122 337 HD21 LEU 45 HD21 LEU 45 4.841 1.939 -5.887 338 HD22 LEU 45 HD22 LEU 45 4.210 1.419 -7.463 339 HD23 LEU 45 HD23 LEU 45 4.273 0.268 -6.109 340 H HIS 46 H HIS 46 -0.570 3.001 -4.735 341 HA HIS 46 HA HIS 46 -0.795 5.285 -6.652 342 HB2 HIS 46 HB1 HIS 46 -2.569 4.368 -4.364 343 HB3 HIS 46 HB2 HIS 46 -2.746 5.935 -5.173 344 HD2 HIS 46 HD2 HIS 46 -2.328 3.616 -8.005 345 HE1 HIS 46 HE1 HIS 46 -6.456 3.347 -7.043 346 HE2 HIS 46 HE2 HIS 46 -4.718 2.854 -8.857 347 H GLU 47 H GLU 47 -0.628 7.276 -5.980 348 HA GLU 47 HA GLU 47 0.726 7.948 -3.407 349 HB2 GLU 47 HB1 GLU 47 1.297 10.061 -4.403 350 HB3 GLU 47 HB2 GLU 47 1.802 8.723 -5.475 351 HG2 GLU 47 HG1 GLU 47 -0.036 9.125 -6.958 352 HG3 GLU 47 HG2 GLU 47 -0.769 10.308 -5.870 353 H THR 48 H THR 48 -0.095 10.185 -2.560 354 HA THR 48 HA THR 48 -2.915 10.905 -3.025 355 HB THR 48 HB THR 48 -1.874 9.851 -0.352 356 HG1 THR 48 HG1 THR 48 -2.955 8.759 -2.400 357 HG21 THR 48 HG21 THR 48 -3.341 11.769 0.113 358 HG22 THR 48 HG22 THR 48 -4.197 10.265 0.471 359 HG23 THR 48 HG23 THR 48 -4.556 11.150 -1.032 360 H PHE 49 H PHE 49 -3.194 13.121 -2.418 361 HA PHE 49 HA PHE 49 -0.886 14.588 -1.303 362 HB2 PHE 49 HB1 PHE 49 -0.570 15.838 -3.436 363 HB3 PHE 49 HB2 PHE 49 -0.077 14.149 -3.498 364 HD1 PHE 49 HD2 PHE 49 -2.770 16.545 -4.458 365 HD2 PHE 49 HD1 PHE 49 -1.092 12.639 -5.161 366 HE1 PHE 49 HE2 PHE 49 -4.223 16.282 -6.432 367 HE2 PHE 49 HE1 PHE 49 -2.495 12.392 -7.123 368 HZ PHE 49 HZ PHE 49 -4.069 14.216 -7.824 369 H MET 50 H MET 50 -1.069 16.865 -1.367 370 HA MET 50 HA MET 50 -3.819 17.978 -1.187 371 HB2 MET 50 HB1 MET 50 -2.786 19.991 -0.351 372 HB3 MET 50 HB2 MET 50 -2.340 18.589 0.634 373 HG2 MET 50 HG1 MET 50 -0.568 19.642 -1.583 374 HG3 MET 50 HG2 MET 50 -0.529 20.312 0.060 375 HE1 MET 50 HE1 MET 50 2.083 19.907 0.211 376 HE2 MET 50 HE2 MET 50 2.837 18.351 -0.199 377 HE3 MET 50 HE3 MET 50 2.012 19.284 -1.461 378 H ARG 51 H ARG 51 -4.615 19.561 -2.585 379 HA ARG 51 HA ARG 51 -2.937 20.528 -4.785 380 HB2 ARG 51 HB1 ARG 51 -4.333 18.138 -5.132 381 HB3 ARG 51 HB2 ARG 51 -5.358 19.352 -5.916 382 HG2 ARG 51 HG1 ARG 51 -2.418 19.445 -6.507 383 HG3 ARG 51 HG2 ARG 51 -3.345 18.094 -7.209 384 HD2 ARG 51 HD1 ARG 51 -4.841 19.568 -8.341 385 HD3 ARG 51 HD2 ARG 51 -4.149 20.980 -7.523 386 HE ARG 51 HE ARG 51 -2.263 19.377 -9.082 387 HH11 ARG 51 HH12 ARG 51 -4.389 22.238 -9.120 388 HH12 ARG 51 HH11 ARG 51 -3.580 22.926 -10.479 389 HH21 ARG 51 HH22 ARG 51 -1.240 20.371 -10.853 390 HH22 ARG 51 HH21 ARG 51 -1.826 21.902 -11.433 391 H GLU 52 H GLU 52 -3.701 22.378 -5.744 392 HA GLU 52 HA GLU 52 -6.159 23.609 -4.788 393 HB2 GLU 52 HB1 GLU 52 -3.509 24.371 -5.073 394 HB3 GLU 52 HB2 GLU 52 -4.228 25.035 -6.555 395 HG2 GLU 52 HG1 GLU 52 -4.360 26.705 -4.853 396 HG3 GLU 52 HG2 GLU 52 -5.983 26.083 -5.183 397 H VAL 53 H VAL 53 -7.841 24.158 -6.164 398 HA VAL 53 HA VAL 53 -7.377 24.458 -9.069 399 HB VAL 53 HB VAL 53 -9.792 22.911 -7.998 400 HG11 VAL 53 HG11 VAL 53 -10.236 24.205 -10.068 401 HG12 VAL 53 HG12 VAL 53 -8.818 23.474 -10.844 402 HG13 VAL 53 HG13 VAL 53 -10.225 22.477 -10.415 403 HG21 VAL 53 HG21 VAL 53 -8.893 20.918 -9.178 404 HG22 VAL 53 HG22 VAL 53 -7.384 21.795 -9.505 405 HG23 VAL 53 HG23 VAL 53 -7.863 21.402 -7.835 406 H GLU 54 H GLU 54 -8.509 26.296 -9.773 407 HA GLU 54 HA GLU 54 -9.500 28.313 -9.673 408 HB2 GLU 54 HB1 GLU 54 -11.177 27.239 -7.389 409 HB3 GLU 54 HB2 GLU 54 -11.521 28.719 -8.299 410 HG2 GLU 54 HG1 GLU 54 -12.271 27.506 -10.188 411 HG3 GLU 54 HG2 GLU 54 -11.607 25.976 -9.570 412 H GLY 55 H GLY 55 -7.522 27.367 -7.418 413 HA2 GLY 55 HA3 GLY 55 -6.246 28.562 -5.775 414 HA3 GLY 55 HA2 GLY 55 -7.431 29.886 -5.843 415 H LYS 56 H LYS 56 -8.671 26.653 -5.528 416 HA LYS 56 HA LYS 56 -9.208 26.917 -2.636 417 HB2 LYS 56 HB1 LYS 56 -11.004 25.979 -4.915 418 HB3 LYS 56 HB2 LYS 56 -11.360 25.667 -3.203 419 HG2 LYS 56 HG1 LYS 56 -11.932 27.861 -2.776 420 HG3 LYS 56 HG2 LYS 56 -10.902 28.519 -4.071 421 HD2 LYS 56 HD1 LYS 56 -13.278 28.800 -4.578 422 HD3 LYS 56 HD2 LYS 56 -12.438 27.783 -5.764 423 HE2 LYS 56 HE1 LYS 56 -13.387 25.820 -4.228 424 HE3 LYS 56 HE2 LYS 56 -14.554 27.068 -3.749 425 HZ1 LYS 56 HZ1 LYS 56 -14.081 25.914 -6.448 426 HZ2 LYS 56 HZ2 LYS 56 -14.747 27.324 -6.368 427 HZ3 LYS 56 HZ3 LYS 56 -15.507 26.025 -5.659 428 H LYS 57 H LYS 57 -8.555 25.247 -1.574 429 HA LYS 57 HA LYS 57 -7.141 23.112 -2.788 430 HB2 LYS 57 HB1 LYS 57 -6.652 22.474 -0.384 431 HB3 LYS 57 HB2 LYS 57 -6.069 24.012 -1.045 432 HG2 LYS 57 HG1 LYS 57 -8.166 25.023 0.144 433 HG3 LYS 57 HG2 LYS 57 -8.153 23.490 1.055 434 HD2 LYS 57 HD1 LYS 57 -6.907 24.905 2.413 435 HD3 LYS 57 HD2 LYS 57 -5.646 24.049 1.550 436 HE2 LYS 57 HE1 LYS 57 -6.731 26.792 0.744 437 HE3 LYS 57 HE2 LYS 57 -5.354 26.575 1.847 438 HZ1 LYS 57 HZ1 LYS 57 -4.220 25.437 -0.068 439 HZ2 LYS 57 HZ2 LYS 57 -4.614 27.006 -0.408 440 HZ3 LYS 57 HZ3 LYS 57 -5.474 25.808 -1.026 441 H VAL 58 H VAL 58 -7.304 21.090 -2.750 442 HA VAL 58 HA VAL 58 -9.537 19.538 -1.578 443 HB VAL 58 HB VAL 58 -8.642 19.007 -4.435 444 HG11 VAL 58 HG11 VAL 58 -11.191 18.312 -2.893 445 HG12 VAL 58 HG12 VAL 58 -10.904 17.929 -4.603 446 HG13 VAL 58 HG13 VAL 58 -9.909 17.180 -3.367 447 HG21 VAL 58 HG21 VAL 58 -10.676 20.145 -5.301 448 HG22 VAL 58 HG22 VAL 58 -10.978 20.814 -3.684 449 HG23 VAL 58 HG23 VAL 58 -9.526 21.277 -4.605 450 H MET 59 H MET 59 -8.870 17.078 -1.818 451 HA MET 59 HA MET 59 -5.920 16.724 -2.030 452 HB2 MET 59 HB1 MET 59 -7.789 15.319 -0.095 453 HB3 MET 59 HB2 MET 59 -6.140 14.764 -0.495 454 HG2 MET 59 HG1 MET 59 -5.343 17.090 0.179 455 HG3 MET 59 HG2 MET 59 -6.953 17.358 0.858 456 HE1 MET 59 HE1 MET 59 -3.626 14.601 2.433 457 HE2 MET 59 HE2 MET 59 -4.111 14.671 0.728 458 HE3 MET 59 HE3 MET 59 -3.385 16.095 1.510 459 H GLY 60 H GLY 60 -5.223 15.036 -3.238 460 HA2 GLY 60 HA3 GLY 60 -7.294 13.551 -4.798 461 HA3 GLY 60 HA2 GLY 60 -5.945 14.391 -5.597 462 H MET 61 H MET 61 -6.045 11.977 -6.353 463 HA MET 61 HA MET 61 -3.814 10.485 -5.175 464 HB2 MET 61 HB1 MET 61 -5.567 9.586 -3.855 465 HB3 MET 61 HB2 MET 61 -6.715 9.618 -5.204 466 HG2 MET 61 HG1 MET 61 -5.286 7.803 -6.264 467 HG3 MET 61 HG2 MET 61 -4.464 7.664 -4.716 468 HE1 MET 61 HE1 MET 61 -7.856 8.470 -3.427 469 HE2 MET 61 HE2 MET 61 -8.004 6.875 -2.637 470 HE3 MET 61 HE3 MET 61 -6.491 7.806 -2.491 471 H ARG 62 H ARG 62 -2.831 9.180 -6.595 472 HA ARG 62 HA ARG 62 -3.808 8.859 -9.370 473 HB2 ARG 62 HB1 ARG 62 -1.326 10.357 -8.475 474 HB3 ARG 62 HB2 ARG 62 -1.387 9.564 -10.062 475 HG2 ARG 62 HG1 ARG 62 -3.473 10.959 -10.520 476 HG3 ARG 62 HG2 ARG 62 -3.066 11.897 -9.083 477 HD2 ARG 62 HD1 ARG 62 -1.413 11.557 -11.613 478 HD3 ARG 62 HD2 ARG 62 -2.149 13.051 -10.999 479 HE ARG 62 HE ARG 62 -0.440 12.291 -8.959 480 HH11 ARG 62 HH12 ARG 62 0.262 12.892 -12.373 481 HH12 ARG 62 HH11 ARG 62 1.968 13.030 -12.032 482 HH21 ARG 62 HH22 ARG 62 1.629 12.301 -8.639 483 HH22 ARG 62 HH21 ARG 62 2.756 12.744 -9.877 484 HA PRO 63 HA PRO 63 -1.242 5.172 -8.681 485 HB2 PRO 63 HB1 PRO 63 -0.848 4.199 -11.159 486 HB3 PRO 63 HB2 PRO 63 -2.469 4.170 -10.402 487 HG2 PRO 63 HG1 PRO 63 -1.367 6.225 -12.343 488 HG3 PRO 63 HG2 PRO 63 -2.947 5.363 -12.423 489 HD2 PRO 63 HD1 PRO 63 -2.666 7.893 -11.349 490 HD3 PRO 63 HD2 PRO 63 -3.863 6.717 -10.734 491 H VAL 64 H VAL 64 0.955 4.511 -8.904 492 HA VAL 64 HA VAL 64 2.809 6.381 -10.291 493 HB VAL 64 HB VAL 64 4.323 6.443 -8.321 494 HG11 VAL 64 HG11 VAL 64 2.791 8.315 -8.884 495 HG12 VAL 64 HG12 VAL 64 1.621 7.662 -7.713 496 HG13 VAL 64 HG13 VAL 64 3.224 8.219 -7.172 497 HG21 VAL 64 HG21 VAL 64 3.617 4.548 -7.023 498 HG22 VAL 64 HG22 VAL 64 3.446 6.013 -6.053 499 HG23 VAL 64 HG23 VAL 64 2.003 5.260 -6.757 500 HA PRO 65 HA PRO 65 4.557 2.709 -11.663 501 HB2 PRO 65 HB1 PRO 65 7.113 3.279 -12.309 502 HB3 PRO 65 HB2 PRO 65 5.725 4.090 -13.100 503 HG2 PRO 65 HG1 PRO 65 7.406 5.114 -10.795 504 HG3 PRO 65 HG2 PRO 65 6.950 5.982 -12.305 505 HD2 PRO 65 HD1 PRO 65 5.568 6.278 -9.954 506 HD3 PRO 65 HD2 PRO 65 4.751 6.313 -11.533 507 H PHE 66 H PHE 66 6.301 4.072 -8.915 508 HA PHE 66 HA PHE 66 6.466 1.600 -7.524 509 HB2 PHE 66 HB1 PHE 66 8.856 1.212 -7.504 510 HB3 PHE 66 HB2 PHE 66 8.221 1.052 -9.135 511 HD1 PHE 66 HD1 PHE 66 10.207 3.140 -6.850 512 HD2 PHE 66 HD2 PHE 66 8.804 2.623 -10.861 513 HE1 PHE 66 HE1 PHE 66 11.692 4.967 -7.529 514 HE2 PHE 66 HE2 PHE 66 10.417 4.407 -11.636 515 HZ PHE 66 HZ PHE 66 11.848 5.589 -9.971 516 H LEU 67 H LEU 67 7.734 1.765 -5.547 517 HA LEU 67 HA LEU 67 8.299 4.544 -4.590 518 HB2 LEU 67 HB1 LEU 67 7.740 2.085 -2.889 519 HB3 LEU 67 HB2 LEU 67 7.954 3.743 -2.318 520 HG LEU 67 HG LEU 67 5.592 2.515 -3.778 521 HD11 LEU 67 HD11 LEU 67 5.874 3.928 -1.098 522 HD12 LEU 67 HD12 LEU 67 5.816 2.171 -1.340 523 HD13 LEU 67 HD13 LEU 67 4.395 3.158 -1.741 524 HD21 LEU 67 HD21 LEU 67 5.990 5.465 -3.115 525 HD22 LEU 67 HD22 LEU 67 4.463 4.712 -3.652 526 HD23 LEU 67 HD23 LEU 67 5.846 4.761 -4.740 527 H GLU 68 H GLU 68 10.175 4.745 -3.246 528 HA GLU 68 HA GLU 68 12.336 2.718 -3.747 529 HB2 GLU 68 HB1 GLU 68 12.581 4.968 -4.920 530 HB3 GLU 68 HB2 GLU 68 12.615 5.723 -3.307 531 HG2 GLU 68 HG1 GLU 68 14.867 5.527 -3.867 532 HG3 GLU 68 HG2 GLU 68 14.620 4.152 -2.803 533 H VAL 69 H VAL 69 13.575 2.123 -1.971 534 HA VAL 69 HA VAL 69 13.374 3.786 0.415 535 HB VAL 69 HB VAL 69 13.163 0.720 0.529 536 HG11 VAL 69 HG11 VAL 69 12.861 2.744 2.778 537 HG12 VAL 69 HG12 VAL 69 12.599 1.001 2.926 538 HG13 VAL 69 HG13 VAL 69 14.210 1.624 2.564 539 HG21 VAL 69 HG21 VAL 69 10.927 2.734 0.978 540 HG22 VAL 69 HG22 VAL 69 11.027 1.510 -0.311 541 HG23 VAL 69 HG23 VAL 69 10.841 1.008 1.360 542 HA PRO 70 HA PRO 70 17.775 2.901 0.364 543 HB2 PRO 70 HB1 PRO 70 18.642 4.433 2.414 544 HB3 PRO 70 HB2 PRO 70 17.896 5.163 0.961 545 HG2 PRO 70 HG1 PRO 70 16.556 4.516 3.606 546 HG3 PRO 70 HG2 PRO 70 16.505 6.066 2.691 547 HD2 PRO 70 HD1 PRO 70 14.541 4.146 2.503 548 HD3 PRO 70 HD2 PRO 70 14.996 5.196 1.129 549 HA PRO 71 HA PRO 71 18.490 -0.505 3.001 550 HB2 PRO 71 HB1 PRO 71 21.197 -0.543 3.438 551 HB3 PRO 71 HB2 PRO 71 20.405 -0.936 1.885 552 HG2 PRO 71 HG1 PRO 71 21.602 1.710 2.741 553 HG3 PRO 71 HG2 PRO 71 21.868 0.824 1.197 554 HD2 PRO 71 HD1 PRO 71 20.069 2.850 1.364 555 HD3 PRO 71 HD2 PRO 71 19.701 1.380 0.417 556 H LYS 72 H LYS 72 18.515 -1.224 5.012 557 HA LYS 72 HA LYS 72 18.359 -1.318 7.237 558 HB2 LYS 72 HB1 LYS 72 20.334 0.969 7.420 559 HB3 LYS 72 HB2 LYS 72 19.993 -0.266 8.648 560 HG2 LYS 72 HG1 LYS 72 21.355 -0.682 5.960 561 HG3 LYS 72 HG2 LYS 72 22.122 -0.692 7.563 562 HD2 LYS 72 HD1 LYS 72 20.935 -2.757 8.151 563 HD3 LYS 72 HD2 LYS 72 20.031 -2.711 6.610 564 HE2 LYS 72 HE1 LYS 72 22.120 -2.838 5.348 565 HE3 LYS 72 HE2 LYS 72 23.069 -2.910 6.831 566 HZ1 LYS 72 HZ1 LYS 72 22.658 -5.059 5.779 567 HZ2 LYS 72 HZ2 LYS 72 21.037 -4.912 6.013 568 HZ3 LYS 72 HZ3 LYS 72 22.048 -5.034 7.308 569 H GLY 73 H GLY 73 17.395 1.448 5.652 570 HA2 GLY 73 HA3 GLY 73 16.045 2.754 7.911 571 HA3 GLY 73 HA2 GLY 73 15.865 3.143 6.185 572 H ARG 74 H ARG 74 13.748 3.024 8.000 573 HA ARG 74 HA ARG 74 12.126 1.066 6.512 574 HB2 ARG 74 HB1 ARG 74 10.481 0.896 8.221 575 HB3 ARG 74 HB2 ARG 74 12.036 0.417 8.905 576 HG2 ARG 74 HG1 ARG 74 12.194 2.466 10.153 577 HG3 ARG 74 HG2 ARG 74 10.808 3.183 9.306 578 HD2 ARG 74 HD1 ARG 74 9.261 1.711 10.277 579 HD3 ARG 74 HD2 ARG 74 10.562 0.803 11.051 580 HE ARG 74 HE ARG 74 10.715 3.575 11.761 581 HH11 ARG 74 HH12 ARG 74 8.448 0.876 12.437 582 HH12 ARG 74 HH11 ARG 74 8.235 1.351 14.050 583 HH21 ARG 74 HH22 ARG 74 10.131 4.274 13.792 584 HH22 ARG 74 HH21 ARG 74 9.001 3.342 14.746 585 H VAL 75 H VAL 75 10.352 1.932 5.513 586 HA VAL 75 HA VAL 75 9.681 4.833 5.672 587 HB VAL 75 HB VAL 75 10.721 3.442 3.162 588 HG11 VAL 75 HG11 VAL 75 8.846 4.851 2.474 589 HG12 VAL 75 HG12 VAL 75 9.467 6.216 3.433 590 HG13 VAL 75 HG13 VAL 75 10.342 5.644 1.996 591 HG21 VAL 75 HG21 VAL 75 12.400 5.307 3.096 592 HG22 VAL 75 HG22 VAL 75 11.775 5.900 4.650 593 HG23 VAL 75 HG23 VAL 75 12.573 4.316 4.543 594 H GLU 76 H GLU 76 7.463 5.146 4.944 595 HA GLU 76 HA GLU 76 6.053 2.542 4.597 596 HB2 GLU 76 HB1 GLU 76 4.336 4.510 5.696 597 HB3 GLU 76 HB2 GLU 76 4.903 2.969 6.385 598 HG2 GLU 76 HG1 GLU 76 5.376 4.570 8.005 599 HG3 GLU 76 HG2 GLU 76 6.937 4.267 7.259 600 H LEU 77 H LEU 77 4.264 2.267 3.509 601 HA LEU 77 HA LEU 77 3.162 4.164 1.554 602 HB2 LEU 77 HB1 LEU 77 2.349 1.472 2.684 603 HB3 LEU 77 HB2 LEU 77 1.225 2.486 1.734 604 HG LEU 77 HG LEU 77 2.889 2.453 -0.140 605 HD11 LEU 77 HD11 LEU 77 4.223 0.319 1.597 606 HD12 LEU 77 HD12 LEU 77 4.979 1.795 0.956 607 HD13 LEU 77 HD13 LEU 77 4.505 0.496 -0.144 608 HD21 LEU 77 HD21 LEU 77 1.954 -0.314 0.706 609 HD22 LEU 77 HD22 LEU 77 2.188 0.323 -0.945 610 HD23 LEU 77 HD23 LEU 77 0.877 0.930 0.069 611 H LYS 78 H LYS 78 3.313 5.852 3.082 612 HA LYS 78 HA LYS 78 2.050 5.760 5.594 613 HB2 LYS 78 HB1 LYS 78 2.804 8.076 5.772 614 HB3 LYS 78 HB2 LYS 78 4.030 7.008 5.019 615 HG2 LYS 78 HG1 LYS 78 2.842 7.981 2.806 616 HG3 LYS 78 HG2 LYS 78 2.580 9.355 3.885 617 HD2 LYS 78 HD1 LYS 78 5.270 8.045 3.297 618 HD3 LYS 78 HD2 LYS 78 4.637 9.529 2.518 619 HE2 LYS 78 HE1 LYS 78 6.099 10.383 4.069 620 HE3 LYS 78 HE2 LYS 78 4.557 10.504 4.913 621 HZ1 LYS 78 HZ1 LYS 78 5.208 8.459 6.163 622 HZ2 LYS 78 HZ2 LYS 78 6.395 9.577 6.302 623 HZ3 LYS 78 HZ3 LYS 78 6.517 8.273 5.323 624 HA PRO 79 HA PRO 79 -2.198 6.675 4.715 625 HB2 PRO 79 HB1 PRO 79 -2.957 8.117 6.948 626 HB3 PRO 79 HB2 PRO 79 -2.785 6.338 6.881 627 HG2 PRO 79 HG1 PRO 79 -0.767 8.375 7.849 628 HG3 PRO 79 HG2 PRO 79 -1.258 6.840 8.646 629 HD2 PRO 79 HD1 PRO 79 1.011 6.975 7.176 630 HD3 PRO 79 HD2 PRO 79 -0.052 5.543 7.050 631 H GLY 80 H GLY 80 -0.133 9.400 5.746 632 HA2 GLY 80 HA3 GLY 80 -1.780 11.380 4.442 633 HA3 GLY 80 HA2 GLY 80 -0.161 11.611 5.139 634 H GLY 81 H GLY 81 -0.055 9.092 2.719 635 HA2 GLY 81 HA3 GLY 81 -0.228 10.728 0.442 636 HA3 GLY 81 HA2 GLY 81 1.476 10.758 0.952 637 H TYR 82 H TYR 82 0.801 7.562 1.503 638 HA TYR 82 HA TYR 82 0.717 6.756 -1.354 639 HB2 TYR 82 HB1 TYR 82 3.014 6.082 0.496 640 HB3 TYR 82 HB2 TYR 82 2.676 5.227 -1.020 641 HD1 TYR 82 HD1 TYR 82 2.810 6.444 -3.208 642 HD2 TYR 82 HD2 TYR 82 4.059 8.235 0.505 643 HE1 TYR 82 HE1 TYR 82 3.962 8.233 -4.470 644 HE2 TYR 82 HE2 TYR 82 5.168 10.066 -0.750 645 HH TYR 82 HH TYR 82 5.126 10.199 -4.322 646 H HIS 83 H HIS 83 0.018 4.693 -1.775 647 HA HIS 83 HA HIS 83 -0.408 2.723 0.303 648 HB2 HIS 83 HB1 HIS 83 -2.811 2.702 0.366 649 HB3 HIS 83 HB2 HIS 83 -2.169 4.233 0.966 650 HD1 HIS 83 HD1 HIS 83 -2.468 6.387 -0.809 651 HD2 HIS 83 HD2 HIS 83 -4.395 2.766 -1.745 652 HE1 HIS 83 HE1 HIS 83 -4.007 6.860 -2.775 653 H PHE 84 H PHE 84 -1.324 0.723 -0.530 654 HA PHE 84 HA PHE 84 -1.414 0.500 -3.510 655 HB2 PHE 84 HB1 PHE 84 -1.751 -1.538 -1.278 656 HB3 PHE 84 HB2 PHE 84 -2.043 -1.881 -2.998 657 HD1 PHE 84 HD1 PHE 84 -0.048 -1.250 -4.625 658 HD2 PHE 84 HD2 PHE 84 0.354 -2.094 -0.416 659 HE1 PHE 84 HE1 PHE 84 2.341 -1.797 -4.958 660 HE2 PHE 84 HE2 PHE 84 2.750 -2.628 -0.753 661 HZ PHE 84 HZ PHE 84 3.754 -2.456 -3.010 662 H MET 85 H MET 85 -3.344 0.498 -4.513 663 HA MET 85 HA MET 85 -5.967 0.519 -3.124 664 HB2 MET 85 HB1 MET 85 -5.189 1.598 -5.503 665 HB3 MET 85 HB2 MET 85 -5.857 0.042 -6.037 666 HG2 MET 85 HG1 MET 85 -7.646 1.667 -6.012 667 HG3 MET 85 HG2 MET 85 -7.923 0.521 -4.694 668 HE1 MET 85 HE1 MET 85 -9.364 1.695 -3.026 669 HE2 MET 85 HE2 MET 85 -9.279 3.413 -2.598 670 HE3 MET 85 HE3 MET 85 -9.738 2.935 -4.253 671 H LEU 86 H LEU 86 -7.077 -1.316 -2.800 672 HA LEU 86 HA LEU 86 -6.266 -3.876 -4.149 673 HB2 LEU 86 HB1 LEU 86 -7.309 -3.249 -1.364 674 HB3 LEU 86 HB2 LEU 86 -7.516 -4.854 -2.113 675 HG LEU 86 HG LEU 86 -5.131 -5.215 -2.138 676 HD11 LEU 86 HD11 LEU 86 -4.851 -2.443 -0.906 677 HD12 LEU 86 HD12 LEU 86 -4.113 -3.054 -2.411 678 HD13 LEU 86 HD13 LEU 86 -3.585 -3.692 -0.864 679 HD21 LEU 86 HD21 LEU 86 -6.494 -5.788 -0.135 680 HD22 LEU 86 HD22 LEU 86 -6.143 -4.186 0.556 681 HD23 LEU 86 HD23 LEU 86 -4.834 -5.368 0.319 682 H LEU 87 H LEU 87 -7.825 -4.473 -5.578 683 HA LEU 87 HA LEU 87 -10.639 -3.579 -5.198 684 HB2 LEU 87 HB1 LEU 87 -9.257 -1.866 -6.299 685 HB3 LEU 87 HB2 LEU 87 -8.782 -2.995 -7.554 686 HG LEU 87 HG LEU 87 -11.711 -2.321 -7.122 687 HD11 LEU 87 HD11 LEU 87 -10.427 -0.171 -7.163 688 HD12 LEU 87 HD12 LEU 87 -11.432 -0.371 -8.616 689 HD13 LEU 87 HD13 LEU 87 -9.678 -0.660 -8.689 690 HD21 LEU 87 HD21 LEU 87 -10.118 -2.958 -9.633 691 HD22 LEU 87 HD22 LEU 87 -11.862 -2.650 -9.545 692 HD23 LEU 87 HD23 LEU 87 -11.182 -4.092 -8.781 693 H GLY 88 H GLY 88 -12.169 -4.896 -5.970 694 HA2 GLY 88 HA3 GLY 88 -13.094 -6.845 -6.903 695 HA3 GLY 88 HA2 GLY 88 -11.516 -7.268 -7.605 696 H LEU 89 H LEU 89 -12.391 -6.475 -4.216 697 HA LEU 89 HA LEU 89 -10.899 -8.419 -2.931 698 HB2 LEU 89 HB1 LEU 89 -13.589 -7.694 -1.862 699 HB3 LEU 89 HB2 LEU 89 -12.096 -8.092 -0.990 700 HG LEU 89 HG LEU 89 -12.916 -5.488 -2.295 701 HD11 LEU 89 HD11 LEU 89 -12.077 -6.355 0.494 702 HD12 LEU 89 HD12 LEU 89 -13.732 -6.013 -0.040 703 HD13 LEU 89 HD13 LEU 89 -12.547 -4.691 0.044 704 HD21 LEU 89 HD21 LEU 89 -10.463 -5.835 -2.832 705 HD22 LEU 89 HD22 LEU 89 -10.169 -6.010 -1.083 706 HD23 LEU 89 HD23 LEU 89 -10.779 -4.486 -1.736 707 H LYS 90 H LYS 90 -11.324 -10.242 -1.855 708 HA LYS 90 HA LYS 90 -12.937 -12.151 -3.540 709 HB2 LYS 90 HB1 LYS 90 -10.424 -12.676 -1.950 710 HB3 LYS 90 HB2 LYS 90 -11.262 -13.827 -3.017 711 HG2 LYS 90 HG1 LYS 90 -9.857 -11.260 -3.866 712 HG3 LYS 90 HG2 LYS 90 -9.296 -12.934 -4.116 713 HD2 LYS 90 HD1 LYS 90 -11.256 -13.371 -5.548 714 HD3 LYS 90 HD2 LYS 90 -11.794 -11.684 -5.311 715 HE2 LYS 90 HE1 LYS 90 -10.771 -12.003 -7.486 716 HE3 LYS 90 HE2 LYS 90 -9.901 -10.821 -6.506 717 HZ1 LYS 90 HZ1 LYS 90 -8.617 -12.540 -7.826 718 HZ2 LYS 90 HZ2 LYS 90 -9.013 -13.628 -6.684 719 HZ3 LYS 90 HZ3 LYS 90 -8.130 -12.255 -6.299 720 H ARG 91 H ARG 91 -13.125 -10.777 -0.549 721 HA ARG 91 HA ARG 91 -15.074 -12.768 0.302 722 HB2 ARG 91 HB1 ARG 91 -14.114 -13.390 2.340 723 HB3 ARG 91 HB2 ARG 91 -12.789 -13.492 1.159 724 HG2 ARG 91 HG1 ARG 91 -11.998 -11.234 2.004 725 HG3 ARG 91 HG2 ARG 91 -13.226 -11.367 3.289 726 HD2 ARG 91 HD1 ARG 91 -12.184 -13.582 3.929 727 HD3 ARG 91 HD2 ARG 91 -10.880 -13.239 2.785 728 HE ARG 91 HE ARG 91 -11.519 -11.441 5.129 729 HH11 ARG 91 HH12 ARG 91 -8.940 -13.275 3.460 730 HH12 ARG 91 HH11 ARG 91 -7.782 -12.699 4.649 731 HH21 ARG 91 HH22 ARG 91 -10.037 -10.819 6.405 732 HH22 ARG 91 HH21 ARG 91 -8.357 -11.366 6.295 733 HA PRO 92 HA PRO 92 -16.699 -9.021 2.382 734 HB2 PRO 92 HB1 PRO 92 -18.449 -10.135 4.141 735 HB3 PRO 92 HB2 PRO 92 -18.796 -10.020 2.388 736 HG2 PRO 92 HG1 PRO 92 -17.768 -12.405 3.936 737 HG3 PRO 92 HG2 PRO 92 -19.062 -12.358 2.685 738 HD2 PRO 92 HD1 PRO 92 -16.441 -13.089 2.166 739 HD3 PRO 92 HD2 PRO 92 -17.493 -12.305 0.952 740 H LEU 93 H LEU 93 -14.782 -8.367 3.367 741 HA LEU 93 HA LEU 93 -13.761 -9.747 5.714 742 HB2 LEU 93 HB1 LEU 93 -11.860 -8.185 5.437 743 HB3 LEU 93 HB2 LEU 93 -12.070 -9.359 4.120 744 HG LEU 93 HG LEU 93 -12.863 -7.603 2.635 745 HD11 LEU 93 HD11 LEU 93 -12.603 -5.185 3.289 746 HD12 LEU 93 HD12 LEU 93 -12.465 -5.696 4.983 747 HD13 LEU 93 HD13 LEU 93 -13.963 -5.986 4.065 748 HD21 LEU 93 HD21 LEU 93 -10.273 -6.900 4.096 749 HD22 LEU 93 HD22 LEU 93 -10.702 -6.400 2.450 750 HD23 LEU 93 HD23 LEU 93 -10.457 -8.114 2.811 751 H LYS 94 H LYS 94 -13.060 -8.372 7.281 752 HA LYS 94 HA LYS 94 -15.162 -6.422 8.190 753 HB2 LYS 94 HB1 LYS 94 -14.273 -8.950 9.613 754 HB3 LYS 94 HB2 LYS 94 -15.538 -7.848 10.168 755 HG2 LYS 94 HG1 LYS 94 -17.013 -8.532 8.369 756 HG3 LYS 94 HG2 LYS 94 -15.710 -9.471 7.601 757 HD2 LYS 94 HD1 LYS 94 -15.497 -10.684 9.867 758 HD3 LYS 94 HD2 LYS 94 -17.076 -9.980 10.239 759 HE2 LYS 94 HE1 LYS 94 -17.291 -12.292 9.334 760 HE3 LYS 94 HE2 LYS 94 -17.998 -11.137 8.191 761 HZ1 LYS 94 HZ1 LYS 94 -16.076 -11.325 6.821 762 HZ2 LYS 94 HZ2 LYS 94 -16.391 -12.887 7.245 763 HZ3 LYS 94 HZ3 LYS 94 -15.173 -12.001 7.944 764 H ALA 95 H ALA 95 -14.901 -5.733 10.398 765 HA ALA 95 HA ALA 95 -12.208 -4.739 11.047 766 HB1 ALA 95 HB1 ALA 95 -14.180 -3.316 11.483 767 HB2 ALA 95 HB2 ALA 95 -14.867 -4.578 12.537 768 HB3 ALA 95 HB3 ALA 95 -13.364 -3.753 12.998 769 H GLY 96 H GLY 96 -10.806 -6.008 11.946 770 HA2 GLY 96 HA3 GLY 96 -9.990 -7.247 13.820 771 HA3 GLY 96 HA2 GLY 96 -11.600 -7.975 14.025 772 H GLU 97 H GLU 97 -10.644 -8.104 10.729 773 HA GLU 97 HA GLU 97 -9.632 -10.893 10.986 774 HB2 GLU 97 HB1 GLU 97 -10.361 -9.194 8.583 775 HB3 GLU 97 HB2 GLU 97 -9.653 -10.834 8.488 776 HG2 GLU 97 HG1 GLU 97 -11.490 -11.819 9.588 777 HG3 GLU 97 HG2 GLU 97 -12.254 -10.271 9.921 778 H GLU 98 H GLU 98 -7.879 -11.117 8.978 779 HA GLU 98 HA GLU 98 -5.650 -9.376 9.172 780 HB2 GLU 98 HB1 GLU 98 -5.904 -11.898 10.716 781 HB3 GLU 98 HB2 GLU 98 -4.513 -11.922 9.617 782 HG2 GLU 98 HG1 GLU 98 -5.117 -9.681 11.576 783 HG3 GLU 98 HG2 GLU 98 -3.995 -11.020 11.892 784 H VAL 99 H VAL 99 -4.158 -10.014 7.749 785 HA VAL 99 HA VAL 99 -4.816 -11.662 5.353 786 HB VAL 99 HB VAL 99 -4.825 -8.603 5.236 787 HG11 VAL 99 HG11 VAL 99 -4.909 -10.611 2.941 788 HG12 VAL 99 HG12 VAL 99 -5.169 -8.858 2.797 789 HG13 VAL 99 HG13 VAL 99 -3.595 -9.461 3.278 790 HG21 VAL 99 HG21 VAL 99 -7.059 -9.525 5.856 791 HG22 VAL 99 HG22 VAL 99 -7.080 -8.870 4.233 792 HG23 VAL 99 HG23 VAL 99 -6.981 -10.627 4.475 793 H GLU 100 H GLU 100 -2.948 -12.377 4.467 794 HA GLU 100 HA GLU 100 -0.427 -10.910 5.045 795 HB2 GLU 100 HB1 GLU 100 -0.533 -13.440 5.400 796 HB3 GLU 100 HB2 GLU 100 -0.551 -13.581 3.633 797 HG2 GLU 100 HG1 GLU 100 1.525 -12.163 3.557 798 HG3 GLU 100 HG2 GLU 100 1.533 -12.143 5.336 799 H LEU 101 H LEU 101 0.549 -9.732 3.578 800 HA LEU 101 HA LEU 101 -0.310 -9.809 0.729 801 HB2 LEU 101 HB1 LEU 101 -1.024 -7.778 1.691 802 HB3 LEU 101 HB2 LEU 101 0.511 -7.496 2.505 803 HG LEU 101 HG LEU 101 0.498 -7.548 -0.505 804 HD11 LEU 101 HD11 LEU 101 -0.212 -5.174 -0.575 805 HD12 LEU 101 HD12 LEU 101 -0.587 -5.235 1.158 806 HD13 LEU 101 HD13 LEU 101 -1.513 -6.225 0.007 807 HD21 LEU 101 HD21 LEU 101 1.851 -5.749 1.551 808 HD22 LEU 101 HD22 LEU 101 2.156 -5.756 -0.193 809 HD23 LEU 101 HD23 LEU 101 2.595 -7.166 0.777 810 H ASP 102 H ASP 102 1.092 -10.044 -0.754 811 HA ASP 102 HA ASP 102 3.948 -10.677 -0.231 812 HB2 ASP 102 HB1 ASP 102 2.308 -10.708 -2.777 813 HB3 ASP 102 HB2 ASP 102 3.912 -11.396 -2.589 814 H LEU 103 H LEU 103 5.656 -9.441 -1.304 815 HA LEU 103 HA LEU 103 4.869 -6.763 -2.413 816 HB2 LEU 103 HB1 LEU 103 7.264 -7.477 -0.691 817 HB3 LEU 103 HB2 LEU 103 6.955 -5.906 -1.471 818 HG LEU 103 HG LEU 103 4.718 -6.016 -0.028 819 HD11 LEU 103 HD11 LEU 103 5.053 -8.253 0.971 820 HD12 LEU 103 HD12 LEU 103 5.229 -7.017 2.206 821 HD13 LEU 103 HD13 LEU 103 6.673 -7.784 1.541 822 HD21 LEU 103 HD21 LEU 103 5.890 -4.780 1.769 823 HD22 LEU 103 HD22 LEU 103 6.440 -4.277 0.167 824 HD23 LEU 103 HD23 LEU 103 7.453 -5.360 1.151 825 H LEU 104 H LEU 104 5.798 -6.182 -4.312 826 HA LEU 104 HA LEU 104 7.723 -8.076 -5.590 827 HB2 LEU 104 HB1 LEU 104 5.629 -6.229 -6.781 828 HB3 LEU 104 HB2 LEU 104 6.672 -7.301 -7.699 829 HG LEU 104 HG LEU 104 4.435 -8.073 -5.773 830 HD11 LEU 104 HD11 LEU 104 3.344 -8.972 -7.781 831 HD12 LEU 104 HD12 LEU 104 4.713 -8.441 -8.783 832 HD13 LEU 104 HD13 LEU 104 3.683 -7.246 -7.962 833 HD21 LEU 104 HD21 LEU 104 6.185 -9.786 -5.566 834 HD22 LEU 104 HD22 LEU 104 6.311 -9.911 -7.336 835 HD23 LEU 104 HD23 LEU 104 4.832 -10.433 -6.496 836 H PHE 105 H PHE 105 9.682 -7.334 -5.789 837 HA PHE 105 HA PHE 105 10.223 -4.388 -5.843 838 HB2 PHE 105 HB1 PHE 105 11.880 -6.750 -4.946 839 HB3 PHE 105 HB2 PHE 105 12.440 -5.071 -4.990 840 HD1 PHE 105 HD1 PHE 105 11.449 -3.375 -3.451 841 HD2 PHE 105 HD2 PHE 105 10.360 -7.551 -3.181 842 HE1 PHE 105 HE1 PHE 105 10.650 -3.028 -1.128 843 HE2 PHE 105 HE2 PHE 105 9.583 -7.182 -0.902 844 HZ PHE 105 HZ PHE 105 9.767 -4.964 0.171 845 H ALA 106 H ALA 106 11.756 -3.601 -7.319 846 HA ALA 106 HA ALA 106 11.918 -4.776 -9.906 847 HB1 ALA 106 HB1 ALA 106 13.523 -2.970 -10.385 848 HB2 ALA 106 HB2 ALA 106 12.150 -2.346 -9.450 849 HB3 ALA 106 HB3 ALA 106 13.709 -2.658 -8.647 850 H GLY 107 H GLY 107 13.644 -5.710 -11.060 851 HA2 GLY 107 HA3 GLY 107 15.589 -6.890 -11.427 852 HA3 GLY 107 HA2 GLY 107 16.148 -6.434 -9.801 853 H GLY 108 H GLY 108 13.084 -7.998 -9.719 854 HA2 GLY 108 HA3 GLY 108 12.378 -10.185 -9.525 855 HA3 GLY 108 HA2 GLY 108 14.018 -10.735 -9.936 856 H LYS 109 H LYS 109 12.412 -8.996 -7.209 857 HA LYS 109 HA LYS 109 13.231 -11.155 -5.357 858 HB2 LYS 109 HB1 LYS 109 13.571 -8.152 -4.943 859 HB3 LYS 109 HB2 LYS 109 13.632 -9.363 -3.626 860 HG2 LYS 109 HG1 LYS 109 15.831 -9.245 -4.032 861 HG3 LYS 109 HG2 LYS 109 15.435 -10.488 -5.202 862 HD2 LYS 109 HD1 LYS 109 15.252 -8.471 -6.895 863 HD3 LYS 109 HD2 LYS 109 16.061 -7.534 -5.605 864 HE2 LYS 109 HE1 LYS 109 17.830 -8.268 -6.991 865 HE3 LYS 109 HE2 LYS 109 17.851 -9.375 -5.607 866 HZ1 LYS 109 HZ1 LYS 109 16.482 -10.896 -7.108 867 HZ2 LYS 109 HZ2 LYS 109 18.040 -10.654 -7.613 868 HZ3 LYS 109 HZ3 LYS 109 16.793 -9.872 -8.330 869 H VAL 110 H VAL 110 11.810 -11.516 -3.625 870 HA VAL 110 HA VAL 110 9.300 -10.024 -3.592 871 HB VAL 110 HB VAL 110 9.434 -13.060 -3.832 872 HG11 VAL 110 HG11 VAL 110 7.536 -12.497 -2.397 873 HG12 VAL 110 HG12 VAL 110 6.970 -11.281 -3.567 874 HG13 VAL 110 HG13 VAL 110 6.946 -13.006 -3.973 875 HG21 VAL 110 HG21 VAL 110 8.390 -10.985 -5.806 876 HG22 VAL 110 HG22 VAL 110 9.793 -12.055 -6.023 877 HG23 VAL 110 HG23 VAL 110 8.171 -12.741 -5.970 878 H LEU 111 H LEU 111 8.179 -10.110 -1.636 879 HA LEU 111 HA LEU 111 9.377 -11.458 0.716 880 HB2 LEU 111 HB1 LEU 111 10.461 -9.188 0.264 881 HB3 LEU 111 HB2 LEU 111 8.861 -8.472 0.576 882 HG LEU 111 HG LEU 111 8.963 -9.156 2.908 883 HD11 LEU 111 HD11 LEU 111 11.702 -10.303 2.190 884 HD12 LEU 111 HD12 LEU 111 10.292 -11.224 2.764 885 HD13 LEU 111 HD13 LEU 111 11.093 -10.074 3.844 886 HD21 LEU 111 HD21 LEU 111 10.797 -7.625 3.559 887 HD22 LEU 111 HD22 LEU 111 9.871 -6.982 2.189 888 HD23 LEU 111 HD23 LEU 111 11.460 -7.716 1.910 889 H LYS 112 H LYS 112 7.894 -11.054 2.695 890 HA LYS 112 HA LYS 112 5.032 -10.590 1.929 891 HB2 LYS 112 HB1 LYS 112 6.342 -12.795 3.530 892 HB3 LYS 112 HB2 LYS 112 4.627 -12.358 3.789 893 HG2 LYS 112 HG1 LYS 112 4.043 -12.872 1.542 894 HG3 LYS 112 HG2 LYS 112 5.735 -13.070 1.048 895 HD2 LYS 112 HD1 LYS 112 6.000 -15.053 2.328 896 HD3 LYS 112 HD2 LYS 112 4.488 -14.810 3.213 897 HE2 LYS 112 HE1 LYS 112 4.688 -15.335 0.220 898 HE3 LYS 112 HE2 LYS 112 4.340 -16.563 1.464 899 HZ1 LYS 112 HZ1 LYS 112 2.407 -15.101 2.087 900 HZ2 LYS 112 HZ2 LYS 112 2.272 -15.807 0.604 901 HZ3 LYS 112 HZ3 LYS 112 2.696 -14.238 0.701 902 H VAL 113 H VAL 113 3.713 -9.536 3.333 903 HA VAL 113 HA VAL 113 4.644 -8.913 6.106 904 HB VAL 113 HB VAL 113 3.471 -6.736 6.011 905 HG11 VAL 113 HG11 VAL 113 5.938 -6.998 4.265 906 HG12 VAL 113 HG12 VAL 113 5.321 -5.478 4.949 907 HG13 VAL 113 HG13 VAL 113 5.867 -6.780 6.016 908 HG21 VAL 113 HG21 VAL 113 3.274 -7.193 3.048 909 HG22 VAL 113 HG22 VAL 113 2.000 -6.851 4.216 910 HG23 VAL 113 HG23 VAL 113 3.168 -5.591 3.809 911 H VAL 114 H VAL 114 2.779 -8.205 7.478 912 HA VAL 114 HA VAL 114 0.300 -9.752 6.911 913 HB VAL 114 HB VAL 114 1.897 -9.628 9.509 914 HG11 VAL 114 HG11 VAL 114 -0.474 -9.701 10.036 915 HG12 VAL 114 HG12 VAL 114 -0.735 -11.051 8.897 916 HG13 VAL 114 HG13 VAL 114 0.231 -11.281 10.375 917 HG21 VAL 114 HG21 VAL 114 2.924 -11.192 7.900 918 HG22 VAL 114 HG22 VAL 114 2.188 -12.065 9.241 919 HG23 VAL 114 HG23 VAL 114 1.357 -12.001 7.676 920 H LEU 115 H LEU 115 -1.618 -8.675 7.794 921 HA LEU 115 HA LEU 115 -1.319 -5.806 8.521 922 HB2 LEU 115 HB1 LEU 115 -2.447 -6.851 5.893 923 HB3 LEU 115 HB2 LEU 115 -2.546 -5.173 6.440 924 HG LEU 115 HG LEU 115 0.022 -6.638 5.706 925 HD11 LEU 115 HD11 LEU 115 -0.071 -5.298 3.649 926 HD12 LEU 115 HD12 LEU 115 -1.631 -4.604 4.148 927 HD13 LEU 115 HD13 LEU 115 -1.496 -6.338 3.785 928 HD21 LEU 115 HD21 LEU 115 0.334 -4.708 7.317 929 HD22 LEU 115 HD22 LEU 115 -0.475 -3.659 6.136 930 HD23 LEU 115 HD23 LEU 115 1.069 -4.440 5.730 931 HA PRO 116 HA PRO 116 -5.227 -7.575 10.229 932 HB2 PRO 116 HB1 PRO 116 -5.796 -5.579 12.029 933 HB3 PRO 116 HB2 PRO 116 -4.640 -6.913 12.337 934 HG2 PRO 116 HG1 PRO 116 -4.025 -4.115 11.341 935 HG3 PRO 116 HG2 PRO 116 -3.219 -5.020 12.672 936 HD2 PRO 116 HD1 PRO 116 -2.144 -4.944 10.191 937 HD3 PRO 116 HD2 PRO 116 -2.110 -6.451 11.142 938 H VAL 117 H VAL 117 -7.400 -7.072 9.931 939 HA VAL 117 HA VAL 117 -7.895 -4.970 7.877 940 HB VAL 117 HB VAL 117 -9.793 -7.116 8.798 941 HG11 VAL 117 HG11 VAL 117 -11.018 -6.514 6.716 942 HG12 VAL 117 HG12 VAL 117 -10.856 -5.076 7.729 943 HG13 VAL 117 HG13 VAL 117 -9.793 -5.285 6.328 944 HG21 VAL 117 HG21 VAL 117 -9.287 -8.252 6.653 945 HG22 VAL 117 HG22 VAL 117 -8.016 -7.065 6.321 946 HG23 VAL 117 HG23 VAL 117 -7.863 -8.175 7.697 947 H GLU 118 H GLU 118 -8.570 -3.104 8.460 948 HA GLU 118 HA GLU 118 -9.820 -2.547 11.088 949 HB2 GLU 118 HB1 GLU 118 -7.011 -2.674 10.442 950 HB3 GLU 118 HB2 GLU 118 -7.406 -0.982 10.764 951 HG2 GLU 118 HG1 GLU 118 -8.248 -3.226 12.638 952 HG3 GLU 118 HG2 GLU 118 -6.660 -2.430 12.752 953 H ALA 119 H ALA 119 -10.375 -0.342 11.432 954 HA ALA 119 HA ALA 119 -11.399 0.782 8.847 955 HB1 ALA 119 HB1 ALA 119 -13.310 1.519 10.203 956 HB2 ALA 119 HB2 ALA 119 -13.041 -0.229 10.366 957 HB3 ALA 119 HB3 ALA 119 -12.541 0.874 11.667 958 H ARG 120 H ARG 120 -9.811 2.225 8.294 959 HA ARG 120 HA ARG 120 -9.792 4.803 9.816 960 HB2 ARG 120 HB1 ARG 120 -7.684 3.744 7.892 961 HB3 ARG 120 HB2 ARG 120 -7.674 5.341 8.667 962 HG2 ARG 120 HG1 ARG 120 -7.271 2.649 10.014 963 HG3 ARG 120 HG2 ARG 120 -6.035 3.898 9.667 964 HD2 ARG 120 HD1 ARG 120 -6.386 4.332 11.880 965 HD3 ARG 120 HD2 ARG 120 -7.612 5.402 11.180 966 HE ARG 120 HE ARG 120 -9.318 3.845 11.833 967 HH11 ARG 120 HH12 ARG 120 -6.191 2.556 12.864 968 HH12 ARG 120 HH11 ARG 120 -7.024 1.212 13.655 969 HH21 ARG 120 HH22 ARG 120 -10.136 2.137 12.867 970 HH22 ARG 120 HH21 ARG 120 -9.067 0.937 13.561 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 4.138 -3.732 17.923 2 H2 GLY 1 2H GLY 1 4.648 -5.102 18.707 3 H3 GLY 1 3H GLY 1 5.727 -3.937 18.244 4 HA2 GLY 1 HA3 GLY 1 3.634 -3.570 20.285 5 HA3 GLY 1 HA2 GLY 1 5.374 -3.753 20.604 6 H SER 2 H SER 2 3.005 -1.415 20.250 7 HA SER 2 HA SER 2 2.519 0.336 18.871 8 HB2 SER 2 HB1 SER 2 5.491 0.568 18.306 9 HB3 SER 2 HB2 SER 2 4.220 1.698 17.759 10 HG SER 2 HG SER 2 5.295 2.272 19.785 11 H PHE 3 H PHE 3 2.720 0.926 16.385 12 HA PHE 3 HA PHE 3 2.556 -1.472 14.718 13 HB2 PHE 3 HB1 PHE 3 2.556 1.502 14.128 14 HB3 PHE 3 HB2 PHE 3 2.451 0.245 12.878 15 HD1 PHE 3 HD1 PHE 3 0.643 1.889 15.678 16 HD2 PHE 3 HD2 PHE 3 0.415 -0.983 12.463 17 HE1 PHE 3 HE1 PHE 3 -1.829 1.831 15.897 18 HE2 PHE 3 HE2 PHE 3 -2.057 -1.011 12.675 19 HZ PHE 3 HZ PHE 3 -3.180 0.385 14.383 20 H THR 4 H THR 4 4.051 -2.081 13.226 21 HA THR 4 HA THR 4 6.420 -0.600 12.513 22 HB THR 4 HB THR 4 7.208 -1.585 14.643 23 HG1 THR 4 HG1 THR 4 8.253 -2.432 12.180 24 HG21 THR 4 HG21 THR 4 6.907 -4.279 13.233 25 HG22 THR 4 HG22 THR 4 5.951 -3.736 14.630 26 HG23 THR 4 HG23 THR 4 7.703 -3.975 14.787 27 H GLU 5 H GLU 5 3.973 -1.925 11.546 28 HA GLU 5 HA GLU 5 4.655 -3.141 9.115 29 HB2 GLU 5 HB1 GLU 5 5.007 -5.115 10.567 30 HB3 GLU 5 HB2 GLU 5 3.399 -4.888 11.269 31 HG2 GLU 5 HG1 GLU 5 2.344 -5.413 9.148 32 HG3 GLU 5 HG2 GLU 5 3.912 -5.430 8.318 33 H GLY 6 H GLY 6 2.417 -3.516 8.059 34 HA2 GLY 6 HA3 GLY 6 0.903 -1.078 8.697 35 HA3 GLY 6 HA2 GLY 6 0.913 -1.961 7.155 36 H TRP 7 H TRP 7 -1.370 -1.243 7.532 37 HA TRP 7 HA TRP 7 -2.947 -3.580 8.377 38 HB2 TRP 7 HB1 TRP 7 -4.471 -2.381 9.702 39 HB3 TRP 7 HB2 TRP 7 -2.860 -2.015 10.321 40 HD1 TRP 7 HD TRP 7 -5.939 -0.463 8.888 41 HE1 TRP 7 HE1 TRP 7 -5.851 2.046 9.236 42 HE3 TRP 7 3HE TRP 7 -1.001 0.021 10.137 43 HZ2 TRP 7 HZ2 TRP 7 -3.851 4.084 9.735 44 HZ3 TRP 7 HZ3 TRP 7 -0.034 2.259 10.569 45 HH2 TRP 7 HH TRP 7 -1.443 4.298 10.374 46 H VAL 8 H VAL 8 -5.407 -3.034 7.722 47 HA VAL 8 HA VAL 8 -5.473 -1.420 5.202 48 HB VAL 8 HB VAL 8 -6.930 -4.077 5.344 49 HG11 VAL 8 HG11 VAL 8 -7.725 -2.467 3.649 50 HG12 VAL 8 HG12 VAL 8 -6.059 -2.238 3.080 51 HG13 VAL 8 HG13 VAL 8 -6.852 -3.779 2.837 52 HG21 VAL 8 HG21 VAL 8 -4.137 -3.588 4.220 53 HG22 VAL 8 HG22 VAL 8 -4.601 -4.744 5.491 54 HG23 VAL 8 HG23 VAL 8 -5.137 -4.995 3.829 55 H ARG 9 H ARG 9 -7.436 -0.367 4.790 56 HA ARG 9 HA ARG 9 -9.030 0.028 7.242 57 HB2 ARG 9 HB1 ARG 9 -9.992 1.952 6.080 58 HB3 ARG 9 HB2 ARG 9 -8.225 2.016 6.239 59 HG2 ARG 9 HG1 ARG 9 -7.887 1.668 3.946 60 HG3 ARG 9 HG2 ARG 9 -9.517 1.081 3.647 61 HD2 ARG 9 HD1 ARG 9 -8.625 3.915 4.187 62 HD3 ARG 9 HD2 ARG 9 -9.359 3.272 2.713 63 HE ARG 9 HE ARG 9 -10.714 4.539 4.762 64 HH11 ARG 9 HH12 ARG 9 -11.184 1.298 3.361 65 HH12 ARG 9 HH11 ARG 9 -12.853 1.279 3.809 66 HH21 ARG 9 HH22 ARG 9 -12.873 4.315 5.411 67 HH22 ARG 9 HH21 ARG 9 -13.768 2.930 4.863 68 H PHE 10 H PHE 10 -10.963 -0.815 7.621 69 HA PHE 10 HA PHE 10 -12.325 -2.741 6.180 70 HB2 PHE 10 HB1 PHE 10 -12.829 -2.455 8.459 71 HB3 PHE 10 HB2 PHE 10 -13.162 -0.719 8.274 72 HD1 PHE 10 HD1 PHE 10 -14.563 -4.102 7.959 73 HD2 PHE 10 HD2 PHE 10 -15.294 0.095 7.402 74 HE1 PHE 10 HE1 PHE 10 -16.976 -4.577 7.566 75 HE2 PHE 10 HE2 PHE 10 -17.679 -0.374 6.939 76 HZ PHE 10 HZ PHE 10 -18.540 -2.712 7.053 77 H SER 11 H SER 11 -13.876 -2.878 4.589 78 HA SER 11 HA SER 11 -15.761 -0.744 4.226 79 HB2 SER 11 HB1 SER 11 -13.650 -1.339 2.163 80 HB3 SER 11 HB2 SER 11 -15.320 -1.088 1.604 81 HG SER 11 HG SER 11 -14.274 0.852 1.577 82 HA PRO 12 HA PRO 12 -17.937 -4.535 2.821 83 HB2 PRO 12 HB1 PRO 12 -20.412 -3.581 2.462 84 HB3 PRO 12 HB2 PRO 12 -19.667 -3.545 4.090 85 HG2 PRO 12 HG1 PRO 12 -19.742 -1.292 2.045 86 HG3 PRO 12 HG2 PRO 12 -20.281 -1.226 3.758 87 HD2 PRO 12 HD1 PRO 12 -17.756 -0.463 2.934 88 HD3 PRO 12 HD2 PRO 12 -18.072 -1.186 4.537 89 H GLY 13 H GLY 13 -16.171 -3.442 1.050 90 HA2 GLY 13 HA3 GLY 13 -17.635 -2.500 -1.372 91 HA3 GLY 13 HA2 GLY 13 -15.958 -2.090 -0.947 92 HA PRO 14 HA PRO 14 -15.760 -5.768 -3.944 93 HB2 PRO 14 HB1 PRO 14 -15.715 -4.539 -6.371 94 HB3 PRO 14 HB2 PRO 14 -17.238 -5.075 -5.612 95 HG2 PRO 14 HG1 PRO 14 -16.026 -2.299 -5.608 96 HG3 PRO 14 HG2 PRO 14 -17.724 -2.765 -5.974 97 HD2 PRO 14 HD1 PRO 14 -16.922 -1.865 -3.504 98 HD3 PRO 14 HD2 PRO 14 -18.217 -3.079 -3.701 99 H ASN 15 H ASN 15 -14.492 -2.599 -3.443 100 HA ASN 15 HA ASN 15 -11.731 -3.303 -4.151 101 HB2 ASN 15 HB1 ASN 15 -11.640 -0.861 -4.769 102 HB3 ASN 15 HB2 ASN 15 -12.592 -1.901 -5.841 103 HD21 ASN 15 HD21 ASN 15 -13.104 0.586 -6.345 104 HD22 ASN 15 HD22 ASN 15 -14.607 1.099 -5.592 105 H ALA 16 H ALA 16 -10.106 -2.113 -3.018 106 HA ALA 16 HA ALA 16 -10.714 -0.805 -0.453 107 HB1 ALA 16 HB1 ALA 16 -9.294 -3.509 -0.530 108 HB2 ALA 16 HB2 ALA 16 -9.513 -2.482 0.904 109 HB3 ALA 16 HB3 ALA 16 -10.917 -3.194 0.104 110 H ALA 17 H ALA 17 -8.307 -0.735 0.773 111 HA ALA 17 HA ALA 17 -6.161 0.042 -1.070 112 HB1 ALA 17 HB1 ALA 17 -6.119 2.379 -0.342 113 HB2 ALA 17 HB2 ALA 17 -7.709 2.025 -1.051 114 HB3 ALA 17 HB3 ALA 17 -7.525 2.123 0.711 115 H ALA 18 H ALA 18 -4.194 -0.292 -0.013 116 HA ALA 18 HA ALA 18 -4.301 -0.943 2.915 117 HB1 ALA 18 HB1 ALA 18 -2.703 -2.757 2.384 118 HB2 ALA 18 HB2 ALA 18 -4.214 -2.952 1.471 119 HB3 ALA 18 HB3 ALA 18 -2.758 -2.317 0.665 120 H TYR 19 H TYR 19 -2.675 -0.425 4.245 121 HA TYR 19 HA TYR 19 -0.602 1.508 3.268 122 HB2 TYR 19 HB1 TYR 19 -2.193 1.502 5.862 123 HB3 TYR 19 HB2 TYR 19 -1.110 2.774 5.289 124 HD1 TYR 19 HD1 TYR 19 -1.777 3.642 2.831 125 HD2 TYR 19 HD2 TYR 19 -4.487 1.934 5.678 126 HE1 TYR 19 HE1 TYR 19 -3.693 4.775 1.672 127 HE2 TYR 19 HE2 TYR 19 -6.386 3.104 4.581 128 HH TYR 19 HH TYR 19 -5.911 5.188 1.694 129 H LEU 20 H LEU 20 1.475 0.724 3.718 130 HA LEU 20 HA LEU 20 2.069 -0.741 6.121 131 HB2 LEU 20 HB1 LEU 20 2.424 -2.922 5.297 132 HB3 LEU 20 HB2 LEU 20 0.756 -2.440 4.933 133 HG LEU 20 HG LEU 20 1.501 -3.808 3.226 134 HD11 LEU 20 HD11 LEU 20 0.146 -1.858 2.527 135 HD12 LEU 20 HD12 LEU 20 1.185 -2.530 1.263 136 HD13 LEU 20 HD13 LEU 20 1.647 -1.015 2.059 137 HD21 LEU 20 HD21 LEU 20 3.401 -3.545 1.804 138 HD22 LEU 20 HD22 LEU 20 3.955 -3.593 3.483 139 HD23 LEU 20 HD23 LEU 20 3.887 -2.046 2.609 140 H THR 21 H THR 21 4.200 -2.258 5.535 141 HA THR 21 HA THR 21 6.070 0.018 5.591 142 HB THR 21 HB THR 21 6.032 -2.721 6.914 143 HG1 THR 21 HG1 THR 21 5.730 -0.225 8.207 144 HG21 THR 21 HG21 THR 21 7.789 -1.774 8.381 145 HG22 THR 21 HG22 THR 21 7.950 -0.361 7.303 146 HG23 THR 21 HG23 THR 21 8.355 -1.981 6.730 147 H LEU 22 H LEU 22 7.891 0.125 4.414 148 HA LEU 22 HA LEU 22 8.783 -2.265 2.855 149 HB2 LEU 22 HB1 LEU 22 7.890 -0.177 1.617 150 HB3 LEU 22 HB2 LEU 22 9.395 0.612 2.092 151 HG LEU 22 HG LEU 22 9.657 -0.105 -0.113 152 HD11 LEU 22 HD11 LEU 22 11.067 -2.323 1.410 153 HD12 LEU 22 HD12 LEU 22 11.642 -0.644 1.369 154 HD13 LEU 22 HD13 LEU 22 11.538 -1.587 -0.128 155 HD21 LEU 22 HD21 LEU 22 8.784 -2.910 0.663 156 HD22 LEU 22 HD22 LEU 22 9.187 -2.311 -0.961 157 HD23 LEU 22 HD23 LEU 22 7.756 -1.697 -0.126 158 H GLU 23 H GLU 23 10.359 -3.105 3.951 159 HA GLU 23 HA GLU 23 12.472 -1.435 5.267 160 HB2 GLU 23 HB1 GLU 23 12.068 -4.434 5.402 161 HB3 GLU 23 HB2 GLU 23 13.270 -3.465 6.282 162 HG2 GLU 23 HG1 GLU 23 10.262 -3.330 6.696 163 HG3 GLU 23 HG2 GLU 23 11.396 -4.282 7.689 164 H ASN 24 H ASN 24 14.502 -1.385 4.320 165 HA ASN 24 HA ASN 24 15.157 -3.523 2.329 166 HB2 ASN 24 HB1 ASN 24 15.241 -1.169 1.470 167 HB3 ASN 24 HB2 ASN 24 16.563 -0.852 2.603 168 HD21 ASN 24 HD21 ASN 24 17.042 -0.620 -0.134 169 HD22 ASN 24 HD22 ASN 24 18.052 -1.989 -0.643 170 HA PRO 25 HA PRO 25 17.708 -4.451 6.047 171 HB2 PRO 25 HB1 PRO 25 17.498 -7.169 6.004 172 HB3 PRO 25 HB2 PRO 25 16.189 -6.133 6.648 173 HG2 PRO 25 HG1 PRO 25 16.416 -7.305 3.855 174 HG3 PRO 25 HG2 PRO 25 15.011 -7.400 4.974 175 HD2 PRO 25 HD1 PRO 25 15.171 -5.505 3.017 176 HD3 PRO 25 HD2 PRO 25 14.473 -5.132 4.618 177 H GLY 26 H GLY 26 18.000 -4.929 2.666 178 HA2 GLY 26 HA3 GLY 26 20.444 -6.545 2.748 179 HA3 GLY 26 HA2 GLY 26 19.552 -5.985 1.316 180 H ASP 27 H ASP 27 21.972 -5.750 0.929 181 HA ASP 27 HA ASP 27 23.242 -3.299 1.909 182 HB2 ASP 27 HB1 ASP 27 24.093 -5.911 0.591 183 HB3 ASP 27 HB2 ASP 27 25.200 -4.614 1.056 184 H LEU 28 H LEU 28 21.475 -4.166 -0.699 185 HA LEU 28 HA LEU 28 22.665 -2.152 -2.520 186 HB2 LEU 28 HB1 LEU 28 21.395 -4.788 -3.368 187 HB3 LEU 28 HB2 LEU 28 22.056 -3.539 -4.439 188 HG LEU 28 HG LEU 28 24.286 -4.105 -2.993 189 HD11 LEU 28 HD11 LEU 28 23.171 -5.949 -1.691 190 HD12 LEU 28 HD12 LEU 28 24.475 -6.552 -2.718 191 HD13 LEU 28 HD13 LEU 28 22.783 -6.765 -3.214 192 HD21 LEU 28 HD21 LEU 28 24.971 -5.529 -4.896 193 HD22 LEU 28 HD22 LEU 28 24.122 -4.077 -5.445 194 HD23 LEU 28 HD23 LEU 28 23.278 -5.644 -5.427 195 HA PRO 29 HA PRO 29 18.663 -0.508 -2.226 196 HB2 PRO 29 HB1 PRO 29 18.129 0.800 -4.549 197 HB3 PRO 29 HB2 PRO 29 19.474 1.254 -3.459 198 HG2 PRO 29 HG1 PRO 29 19.585 -0.365 -5.993 199 HG3 PRO 29 HG2 PRO 29 20.724 0.902 -5.426 200 HD2 PRO 29 HD1 PRO 29 21.088 -1.861 -5.157 201 HD3 PRO 29 HD2 PRO 29 21.888 -0.680 -4.113 202 H LEU 30 H LEU 30 16.461 -0.786 -2.457 203 HA LEU 30 HA LEU 30 15.530 -3.011 -4.228 204 HB2 LEU 30 HB1 LEU 30 14.805 -2.079 -1.483 205 HB3 LEU 30 HB2 LEU 30 13.492 -2.705 -2.487 206 HG LEU 30 HG LEU 30 14.402 -4.866 -2.539 207 HD11 LEU 30 HD11 LEU 30 16.761 -4.526 -2.952 208 HD12 LEU 30 HD12 LEU 30 16.565 -5.534 -1.514 209 HD13 LEU 30 HD13 LEU 30 16.989 -3.821 -1.346 210 HD21 LEU 30 HD21 LEU 30 13.257 -4.283 -0.483 211 HD22 LEU 30 HD22 LEU 30 14.779 -3.730 0.235 212 HD23 LEU 30 HD23 LEU 30 14.552 -5.448 -0.153 213 H ARG 31 H ARG 31 13.692 -2.787 -5.225 214 HA ARG 31 HA ARG 31 12.402 -0.143 -5.586 215 HB2 ARG 31 HB1 ARG 31 14.230 -0.258 -7.263 216 HB3 ARG 31 HB2 ARG 31 13.498 -1.757 -7.903 217 HG2 ARG 31 HG1 ARG 31 11.837 -0.633 -8.988 218 HG3 ARG 31 HG2 ARG 31 11.675 0.606 -7.723 219 HD2 ARG 31 HD1 ARG 31 12.440 1.529 -9.883 220 HD3 ARG 31 HD2 ARG 31 13.547 1.828 -8.542 221 HE ARG 31 HE ARG 31 13.918 -0.315 -10.608 222 HH11 ARG 31 HH12 ARG 31 15.428 2.351 -8.715 223 HH12 ARG 31 HH11 ARG 31 16.996 1.823 -9.071 224 HH21 ARG 31 HH22 ARG 31 16.048 -0.822 -11.164 225 HH22 ARG 31 HH21 ARG 31 17.345 0.186 -10.570 226 H LEU 32 H LEU 32 10.408 -0.615 -5.057 227 HA LEU 32 HA LEU 32 9.186 -3.259 -5.579 228 HB2 LEU 32 HB1 LEU 32 8.923 -2.237 -3.373 229 HB3 LEU 32 HB2 LEU 32 8.229 -0.774 -4.070 230 HG LEU 32 HG LEU 32 6.952 -3.440 -4.719 231 HD11 LEU 32 HD11 LEU 32 6.446 -2.038 -2.075 232 HD12 LEU 32 HD12 LEU 32 7.445 -3.498 -2.279 233 HD13 LEU 32 HD13 LEU 32 5.725 -3.557 -2.667 234 HD21 LEU 32 HD21 LEU 32 4.860 -2.160 -4.621 235 HD22 LEU 32 HD22 LEU 32 5.959 -1.343 -5.691 236 HD23 LEU 32 HD23 LEU 32 5.725 -0.716 -4.049 237 H VAL 33 H VAL 33 8.118 -3.533 -7.449 238 HA VAL 33 HA VAL 33 7.149 -1.115 -8.969 239 HB VAL 33 HB VAL 33 7.398 -2.454 -11.020 240 HG11 VAL 33 HG11 VAL 33 9.347 -1.099 -10.246 241 HG12 VAL 33 HG12 VAL 33 9.989 -2.521 -9.404 242 HG13 VAL 33 HG13 VAL 33 9.832 -2.523 -11.168 243 HG21 VAL 33 HG21 VAL 33 8.627 -4.639 -9.265 244 HG22 VAL 33 HG22 VAL 33 7.064 -4.749 -10.104 245 HG23 VAL 33 HG23 VAL 33 8.559 -4.628 -11.035 246 H GLY 34 H GLY 34 6.173 -3.855 -7.193 247 HA2 GLY 34 HA3 GLY 34 3.392 -3.686 -8.029 248 HA3 GLY 34 HA2 GLY 34 4.213 -5.209 -8.444 249 H ALA 35 H ALA 35 2.250 -5.763 -7.054 250 HA ALA 35 HA ALA 35 3.269 -6.785 -4.548 251 HB1 ALA 35 HB1 ALA 35 1.023 -4.726 -4.594 252 HB2 ALA 35 HB2 ALA 35 1.219 -5.880 -3.264 253 HB3 ALA 35 HB3 ALA 35 2.513 -4.744 -3.618 254 H ARG 36 H ARG 36 1.356 -8.065 -3.509 255 HA ARG 36 HA ARG 36 -0.862 -8.760 -5.155 256 HB2 ARG 36 HB1 ARG 36 1.414 -10.432 -5.485 257 HB3 ARG 36 HB2 ARG 36 0.298 -11.374 -4.493 258 HG2 ARG 36 HG1 ARG 36 -0.436 -9.991 -7.101 259 HG3 ARG 36 HG2 ARG 36 0.011 -11.704 -6.927 260 HD2 ARG 36 HD1 ARG 36 -1.952 -12.072 -5.477 261 HD3 ARG 36 HD2 ARG 36 -2.361 -10.337 -5.553 262 HE ARG 36 HE ARG 36 -3.441 -10.654 -7.481 263 HH11 ARG 36 HH12 ARG 36 -1.414 -13.520 -7.095 264 HH12 ARG 36 HH11 ARG 36 -2.308 -14.411 -8.297 265 HH21 ARG 36 HH22 ARG 36 -4.506 -11.767 -8.991 266 HH22 ARG 36 HH21 ARG 36 -4.062 -13.393 -9.390 267 H THR 37 H THR 37 -1.999 -10.790 -3.829 268 HA THR 37 HA THR 37 -1.955 -10.785 -0.987 269 HB THR 37 HB THR 37 -2.567 -8.508 -1.071 270 HG1 THR 37 HG1 THR 37 -3.722 -9.583 0.323 271 HG21 THR 37 HG21 THR 37 -4.732 -9.195 -3.115 272 HG22 THR 37 HG22 THR 37 -3.325 -8.144 -3.380 273 HG23 THR 37 HG23 THR 37 -4.591 -7.650 -2.255 274 HA PRO 38 HA PRO 38 -4.826 -13.928 -2.486 275 HB2 PRO 38 HB1 PRO 38 -6.173 -14.679 -0.221 276 HB3 PRO 38 HB2 PRO 38 -4.469 -15.106 -0.601 277 HG2 PRO 38 HG1 PRO 38 -5.476 -13.000 1.272 278 HG3 PRO 38 HG2 PRO 38 -4.080 -14.119 1.478 279 HD2 PRO 38 HD1 PRO 38 -3.930 -11.468 0.608 280 HD3 PRO 38 HD2 PRO 38 -2.683 -12.668 0.250 281 H VAL 39 H VAL 39 -5.883 -10.975 -1.022 282 HA VAL 39 HA VAL 39 -8.716 -11.473 -1.824 283 HB VAL 39 HB VAL 39 -9.378 -9.842 -0.146 284 HG11 VAL 39 HG11 VAL 39 -8.799 -11.156 1.831 285 HG12 VAL 39 HG12 VAL 39 -9.280 -12.194 0.466 286 HG13 VAL 39 HG13 VAL 39 -7.573 -12.045 0.926 287 HG21 VAL 39 HG21 VAL 39 -7.150 -8.507 -0.147 288 HG22 VAL 39 HG22 VAL 39 -7.849 -8.878 1.431 289 HG23 VAL 39 HG23 VAL 39 -6.491 -9.844 0.818 290 H ALA 40 H ALA 40 -7.000 -10.554 -3.951 291 HA ALA 40 HA ALA 40 -8.922 -8.602 -4.906 292 HB1 ALA 40 HB1 ALA 40 -7.558 -6.714 -5.236 293 HB2 ALA 40 HB2 ALA 40 -7.231 -7.161 -3.566 294 HB3 ALA 40 HB3 ALA 40 -6.055 -7.575 -4.820 295 H GLU 41 H GLU 41 -8.977 -8.589 -7.181 296 HA GLU 41 HA GLU 41 -7.360 -10.542 -8.639 297 HB2 GLU 41 HB1 GLU 41 -9.880 -9.713 -8.966 298 HB3 GLU 41 HB2 GLU 41 -9.125 -8.502 -10.012 299 HG2 GLU 41 HG1 GLU 41 -9.584 -10.207 -11.526 300 HG3 GLU 41 HG2 GLU 41 -7.920 -10.612 -11.093 301 H ARG 42 H ARG 42 -7.835 -7.006 -8.785 302 HA ARG 42 HA ARG 42 -5.184 -6.505 -10.002 303 HB2 ARG 42 HB1 ARG 42 -7.387 -4.624 -9.081 304 HB3 ARG 42 HB2 ARG 42 -5.815 -4.126 -9.752 305 HG2 ARG 42 HG1 ARG 42 -6.525 -5.191 -11.936 306 HG3 ARG 42 HG2 ARG 42 -8.139 -5.419 -11.219 307 HD2 ARG 42 HD1 ARG 42 -8.162 -2.971 -10.624 308 HD3 ARG 42 HD2 ARG 42 -6.610 -2.782 -11.470 309 HE ARG 42 HE ARG 42 -8.500 -3.907 -13.264 310 HH11 ARG 42 HH12 ARG 42 -7.843 -0.860 -11.553 311 HH12 ARG 42 HH11 ARG 42 -8.595 0.120 -12.762 312 HH21 ARG 42 HH22 ARG 42 -9.407 -2.554 -14.878 313 HH22 ARG 42 HH21 ARG 42 -9.466 -0.833 -14.631 314 H VAL 43 H VAL 43 -3.671 -5.833 -8.800 315 HA VAL 43 HA VAL 43 -4.321 -4.232 -6.422 316 HB VAL 43 HB VAL 43 -2.707 -6.131 -5.815 317 HG11 VAL 43 HG11 VAL 43 -0.344 -5.750 -6.243 318 HG12 VAL 43 HG12 VAL 43 -1.205 -6.013 -7.770 319 HG13 VAL 43 HG13 VAL 43 -0.684 -4.379 -7.287 320 HG21 VAL 43 HG21 VAL 43 -1.452 -4.735 -4.277 321 HG22 VAL 43 HG22 VAL 43 -1.812 -3.286 -5.233 322 HG23 VAL 43 HG23 VAL 43 -3.118 -4.155 -4.394 323 H GLU 44 H GLU 44 -3.355 -2.150 -6.496 324 HA GLU 44 HA GLU 44 -1.874 -1.297 -8.944 325 HB2 GLU 44 HB1 GLU 44 -4.252 0.073 -7.618 326 HB3 GLU 44 HB2 GLU 44 -3.208 0.844 -8.827 327 HG2 GLU 44 HG1 GLU 44 -3.994 -0.547 -10.562 328 HG3 GLU 44 HG2 GLU 44 -4.685 -1.728 -9.436 329 H LEU 45 H LEU 45 -0.450 0.499 -8.484 330 HA LEU 45 HA LEU 45 0.027 1.036 -5.569 331 HB2 LEU 45 HB1 LEU 45 1.873 -0.074 -6.825 332 HB3 LEU 45 HB2 LEU 45 1.900 1.309 -7.944 333 HG LEU 45 HG LEU 45 2.306 2.745 -5.779 334 HD11 LEU 45 HD11 LEU 45 1.840 0.902 -4.135 335 HD12 LEU 45 HD12 LEU 45 3.447 1.627 -3.954 336 HD13 LEU 45 HD13 LEU 45 3.286 0.059 -4.759 337 HD21 LEU 45 HD21 LEU 45 4.433 0.797 -6.732 338 HD22 LEU 45 HD22 LEU 45 4.695 2.400 -5.994 339 HD23 LEU 45 HD23 LEU 45 3.954 2.279 -7.593 340 H HIS 46 H HIS 46 -0.508 2.991 -4.853 341 HA HIS 46 HA HIS 46 -0.852 5.267 -6.772 342 HB2 HIS 46 HB1 HIS 46 -2.497 4.420 -4.361 343 HB3 HIS 46 HB2 HIS 46 -2.699 5.977 -5.187 344 HD2 HIS 46 HD2 HIS 46 -2.483 3.599 -7.969 345 HE1 HIS 46 HE1 HIS 46 -6.564 3.477 -6.787 346 HE2 HIS 46 HE2 HIS 46 -4.934 2.767 -8.608 347 H GLU 47 H GLU 47 -0.786 7.306 -5.972 348 HA GLU 47 HA GLU 47 0.480 7.802 -3.334 349 HB2 GLU 47 HB1 GLU 47 1.686 9.676 -4.161 350 HB3 GLU 47 HB2 GLU 47 2.078 8.149 -5.051 351 HG2 GLU 47 HG1 GLU 47 2.185 9.670 -6.700 352 HG3 GLU 47 HG2 GLU 47 0.558 9.038 -6.895 353 H THR 48 H THR 48 -0.098 9.925 -2.416 354 HA THR 48 HA THR 48 -2.820 10.903 -3.119 355 HB THR 48 HB THR 48 -2.026 10.294 -0.246 356 HG1 THR 48 HG1 THR 48 -2.226 8.378 -0.948 357 HG21 THR 48 HG21 THR 48 -4.743 10.804 -1.533 358 HG22 THR 48 HG22 THR 48 -3.848 11.957 -0.515 359 HG23 THR 48 HG23 THR 48 -4.444 10.443 0.179 360 H PHE 49 H PHE 49 -3.020 13.114 -2.557 361 HA PHE 49 HA PHE 49 -0.725 14.539 -1.359 362 HB2 PHE 49 HB1 PHE 49 -0.343 15.795 -3.466 363 HB3 PHE 49 HB2 PHE 49 0.031 14.075 -3.612 364 HD1 PHE 49 HD1 PHE 49 -2.329 16.771 -4.607 365 HD2 PHE 49 HD2 PHE 49 -1.393 12.585 -4.992 366 HE1 PHE 49 HE1 PHE 49 -3.948 16.578 -6.452 367 HE2 PHE 49 HE2 PHE 49 -2.918 12.400 -6.855 368 HZ PHE 49 HZ PHE 49 -4.171 14.364 -7.692 369 H MET 50 H MET 50 -0.941 16.902 -1.641 370 HA MET 50 HA MET 50 -3.727 17.930 -1.369 371 HB2 MET 50 HB1 MET 50 -2.304 18.350 0.555 372 HB3 MET 50 HB2 MET 50 -1.010 18.992 -0.478 373 HG2 MET 50 HG1 MET 50 -2.364 20.892 -1.094 374 HG3 MET 50 HG2 MET 50 -3.781 20.185 -0.297 375 HE1 MET 50 HE1 MET 50 -0.095 22.014 1.828 376 HE2 MET 50 HE2 MET 50 -0.062 20.300 1.393 377 HE3 MET 50 HE3 MET 50 -0.198 21.538 0.121 378 H ARG 51 H ARG 51 -4.477 19.319 -2.909 379 HA ARG 51 HA ARG 51 -2.574 20.763 -4.656 380 HB2 ARG 51 HB1 ARG 51 -4.474 18.744 -5.594 381 HB3 ARG 51 HB2 ARG 51 -4.572 20.281 -6.461 382 HG2 ARG 51 HG1 ARG 51 -1.801 19.370 -6.013 383 HG3 ARG 51 HG2 ARG 51 -2.778 18.221 -6.973 384 HD2 ARG 51 HD1 ARG 51 -1.577 19.572 -8.473 385 HD3 ARG 51 HD2 ARG 51 -3.288 19.952 -8.605 386 HE ARG 51 HE ARG 51 -1.097 21.640 -7.506 387 HH11 ARG 51 HH12 ARG 51 -4.541 21.492 -8.416 388 HH12 ARG 51 HH11 ARG 51 -4.778 23.169 -7.977 389 HH21 ARG 51 HH22 ARG 51 -1.507 23.913 -7.330 390 HH22 ARG 51 HH21 ARG 51 -3.182 24.436 -7.421 391 H GLU 52 H GLU 52 -3.115 22.901 -4.905 392 HA GLU 52 HA GLU 52 -5.416 23.945 -3.568 393 HB2 GLU 52 HB1 GLU 52 -2.783 24.649 -3.973 394 HB3 GLU 52 HB2 GLU 52 -3.612 25.750 -5.092 395 HG2 GLU 52 HG1 GLU 52 -3.464 26.895 -3.043 396 HG3 GLU 52 HG2 GLU 52 -5.143 26.377 -3.206 397 H VAL 53 H VAL 53 -7.325 24.559 -4.490 398 HA VAL 53 HA VAL 53 -7.324 25.786 -7.189 399 HB VAL 53 HB VAL 53 -9.516 24.774 -7.695 400 HG11 VAL 53 HG11 VAL 53 -8.687 22.627 -8.503 401 HG12 VAL 53 HG12 VAL 53 -7.425 23.858 -8.674 402 HG13 VAL 53 HG13 VAL 53 -7.336 22.668 -7.357 403 HG21 VAL 53 HG21 VAL 53 -10.299 24.057 -5.474 404 HG22 VAL 53 HG22 VAL 53 -10.246 22.677 -6.574 405 HG23 VAL 53 HG23 VAL 53 -8.971 22.883 -5.357 406 H GLU 54 H GLU 54 -8.787 27.525 -7.304 407 HA GLU 54 HA GLU 54 -9.928 29.317 -6.578 408 HB2 GLU 54 HB1 GLU 54 -10.808 27.770 -4.130 409 HB3 GLU 54 HB2 GLU 54 -11.613 29.179 -4.828 410 HG2 GLU 54 HG1 GLU 54 -12.590 27.885 -6.559 411 HG3 GLU 54 HG2 GLU 54 -11.532 26.493 -6.237 412 H GLY 55 H GLY 55 -7.412 28.247 -4.991 413 HA2 GLY 55 HA3 GLY 55 -5.890 29.346 -3.459 414 HA3 GLY 55 HA2 GLY 55 -7.203 30.448 -2.985 415 H LYS 56 H LYS 56 -7.836 27.006 -3.148 416 HA LYS 56 HA LYS 56 -7.750 26.629 -0.214 417 HB2 LYS 56 HB1 LYS 56 -10.015 26.040 -2.171 418 HB3 LYS 56 HB2 LYS 56 -9.943 25.382 -0.523 419 HG2 LYS 56 HG1 LYS 56 -10.424 27.438 0.460 420 HG3 LYS 56 HG2 LYS 56 -9.879 28.377 -0.954 421 HD2 LYS 56 HD1 LYS 56 -12.307 28.458 -0.723 422 HD3 LYS 56 HD2 LYS 56 -11.793 27.688 -2.237 423 HE2 LYS 56 HE1 LYS 56 -12.114 25.469 -0.774 424 HE3 LYS 56 HE2 LYS 56 -13.201 26.528 0.145 425 HZ1 LYS 56 HZ1 LYS 56 -14.545 25.596 -1.585 426 HZ2 LYS 56 HZ2 LYS 56 -13.361 25.727 -2.709 427 HZ3 LYS 56 HZ3 LYS 56 -14.093 27.039 -2.285 428 H LYS 57 H LYS 57 -6.635 24.814 0.193 429 HA LYS 57 HA LYS 57 -5.930 22.790 -1.615 430 HB2 LYS 57 HB1 LYS 57 -5.531 21.411 0.475 431 HB3 LYS 57 HB2 LYS 57 -4.575 22.854 0.193 432 HG2 LYS 57 HG1 LYS 57 -6.995 23.033 1.952 433 HG3 LYS 57 HG2 LYS 57 -5.543 22.200 2.573 434 HD2 LYS 57 HD1 LYS 57 -5.615 25.077 1.611 435 HD3 LYS 57 HD2 LYS 57 -5.715 24.521 3.315 436 HE2 LYS 57 HE1 LYS 57 -3.499 25.054 3.205 437 HE3 LYS 57 HE2 LYS 57 -3.428 23.343 2.773 438 HZ1 LYS 57 HZ1 LYS 57 -3.230 24.019 0.434 439 HZ2 LYS 57 HZ2 LYS 57 -2.122 24.894 1.282 440 HZ3 LYS 57 HZ3 LYS 57 -3.558 25.519 0.750 441 H VAL 58 H VAL 58 -7.048 21.343 -2.596 442 HA VAL 58 HA VAL 58 -9.051 19.713 -1.119 443 HB VAL 58 HB VAL 58 -9.462 18.606 -3.267 444 HG11 VAL 58 HG11 VAL 58 -10.921 20.329 -4.230 445 HG12 VAL 58 HG12 VAL 58 -10.978 20.373 -2.460 446 HG13 VAL 58 HG13 VAL 58 -10.041 21.593 -3.347 447 HG21 VAL 58 HG21 VAL 58 -7.364 19.192 -4.488 448 HG22 VAL 58 HG22 VAL 58 -8.835 19.536 -5.411 449 HG23 VAL 58 HG23 VAL 58 -7.960 20.863 -4.638 450 H MET 59 H MET 59 -8.627 17.327 -1.658 451 HA MET 59 HA MET 59 -5.719 16.716 -1.938 452 HB2 MET 59 HB1 MET 59 -7.770 15.237 -0.270 453 HB3 MET 59 HB2 MET 59 -6.193 14.548 -0.758 454 HG2 MET 59 HG1 MET 59 -5.113 16.588 0.269 455 HG3 MET 59 HG2 MET 59 -6.668 16.991 0.984 456 HE1 MET 59 HE1 MET 59 -7.978 15.432 2.616 457 HE2 MET 59 HE2 MET 59 -7.739 13.882 1.768 458 HE3 MET 59 HE3 MET 59 -7.283 14.038 3.475 459 H GLY 60 H GLY 60 -5.212 14.801 -3.050 460 HA2 GLY 60 HA3 GLY 60 -7.285 13.625 -4.786 461 HA3 GLY 60 HA2 GLY 60 -5.918 14.431 -5.590 462 H MET 61 H MET 61 -6.193 11.935 -6.236 463 HA MET 61 HA MET 61 -3.879 10.520 -5.114 464 HB2 MET 61 HB1 MET 61 -5.578 9.670 -3.683 465 HB3 MET 61 HB2 MET 61 -6.764 9.606 -5.003 466 HG2 MET 61 HG1 MET 61 -5.301 7.786 -6.018 467 HG3 MET 61 HG2 MET 61 -4.449 7.738 -4.485 468 HE1 MET 61 HE1 MET 61 -7.890 8.475 -3.109 469 HE2 MET 61 HE2 MET 61 -7.775 6.948 -2.202 470 HE3 MET 61 HE3 MET 61 -6.368 8.032 -2.288 471 H ARG 62 H ARG 62 -2.915 9.201 -6.538 472 HA ARG 62 HA ARG 62 -3.989 8.851 -9.297 473 HB2 ARG 62 HB1 ARG 62 -1.515 10.350 -8.395 474 HB3 ARG 62 HB2 ARG 62 -1.657 9.735 -10.040 475 HG2 ARG 62 HG1 ARG 62 -3.591 11.199 -10.425 476 HG3 ARG 62 HG2 ARG 62 -3.496 11.812 -8.774 477 HD2 ARG 62 HD1 ARG 62 -1.362 12.075 -10.928 478 HD3 ARG 62 HD2 ARG 62 -2.405 13.374 -10.311 479 HE ARG 62 HE ARG 62 -1.031 12.360 -8.072 480 HH11 ARG 62 HH12 ARG 62 0.179 13.620 -11.132 481 HH12 ARG 62 HH11 ARG 62 1.702 14.062 -10.406 482 HH21 ARG 62 HH22 ARG 62 0.841 13.005 -7.215 483 HH22 ARG 62 HH21 ARG 62 2.020 13.837 -8.159 484 HA PRO 63 HA PRO 63 -1.420 5.175 -8.769 485 HB2 PRO 63 HB1 PRO 63 -1.168 4.208 -11.265 486 HB3 PRO 63 HB2 PRO 63 -2.753 4.241 -10.435 487 HG2 PRO 63 HG1 PRO 63 -1.652 6.274 -12.403 488 HG3 PRO 63 HG2 PRO 63 -3.258 5.469 -12.437 489 HD2 PRO 63 HD1 PRO 63 -2.866 7.970 -11.348 490 HD3 PRO 63 HD2 PRO 63 -4.063 6.820 -10.682 491 H VAL 64 H VAL 64 0.715 4.353 -9.207 492 HA VAL 64 HA VAL 64 2.642 6.167 -10.568 493 HB VAL 64 HB VAL 64 4.197 5.661 -8.498 494 HG11 VAL 64 HG11 VAL 64 3.564 7.903 -9.255 495 HG12 VAL 64 HG12 VAL 64 2.038 7.788 -8.353 496 HG13 VAL 64 HG13 VAL 64 3.590 7.798 -7.488 497 HG21 VAL 64 HG21 VAL 64 3.168 5.505 -6.356 498 HG22 VAL 64 HG22 VAL 64 1.542 5.689 -7.038 499 HG23 VAL 64 HG23 VAL 64 2.486 4.221 -7.363 500 HA PRO 65 HA PRO 65 4.232 2.432 -12.067 501 HB2 PRO 65 HB1 PRO 65 6.708 3.029 -12.901 502 HB3 PRO 65 HB2 PRO 65 5.273 3.902 -13.525 503 HG2 PRO 65 HG1 PRO 65 7.161 4.778 -11.321 504 HG3 PRO 65 HG2 PRO 65 6.597 5.730 -12.741 505 HD2 PRO 65 HD1 PRO 65 5.421 5.889 -10.254 506 HD3 PRO 65 HD2 PRO 65 4.499 6.085 -11.766 507 H PHE 66 H PHE 66 6.130 3.682 -9.357 508 HA PHE 66 HA PHE 66 6.571 1.120 -8.184 509 HB2 PHE 66 HB1 PHE 66 8.944 0.859 -8.458 510 HB3 PHE 66 HB2 PHE 66 8.178 0.824 -10.029 511 HD1 PHE 66 HD2 PHE 66 10.368 2.652 -7.754 512 HD2 PHE 66 HD1 PHE 66 8.532 2.630 -11.622 513 HE1 PHE 66 HE2 PHE 66 11.858 4.508 -8.409 514 HE2 PHE 66 HE1 PHE 66 10.095 4.470 -12.365 515 HZ PHE 66 HZ PHE 66 11.750 5.405 -10.750 516 H LEU 67 H LEU 67 8.051 1.227 -6.349 517 HA LEU 67 HA LEU 67 8.687 3.930 -5.257 518 HB2 LEU 67 HB1 LEU 67 8.186 1.403 -3.627 519 HB3 LEU 67 HB2 LEU 67 8.553 3.010 -2.994 520 HG LEU 67 HG LEU 67 5.974 1.980 -4.203 521 HD11 LEU 67 HD11 LEU 67 6.679 3.247 -1.523 522 HD12 LEU 67 HD12 LEU 67 6.387 1.515 -1.819 523 HD13 LEU 67 HD13 LEU 67 5.065 2.689 -2.017 524 HD21 LEU 67 HD21 LEU 67 6.587 4.872 -3.429 525 HD22 LEU 67 HD22 LEU 67 5.000 4.195 -3.882 526 HD23 LEU 67 HD23 LEU 67 6.281 4.287 -5.078 527 H GLU 68 H GLU 68 10.742 3.947 -4.042 528 HA GLU 68 HA GLU 68 12.474 1.588 -4.346 529 HB2 GLU 68 HB1 GLU 68 12.982 2.747 -6.338 530 HB3 GLU 68 HB2 GLU 68 13.021 4.324 -5.534 531 HG2 GLU 68 HG1 GLU 68 15.122 3.922 -4.571 532 HG3 GLU 68 HG2 GLU 68 14.981 2.158 -4.753 533 H VAL 69 H VAL 69 14.131 1.436 -2.924 534 HA VAL 69 HA VAL 69 14.441 3.524 -0.933 535 HB VAL 69 HB VAL 69 13.693 0.640 -0.151 536 HG11 VAL 69 HG11 VAL 69 14.218 3.001 1.717 537 HG12 VAL 69 HG12 VAL 69 13.614 1.407 2.211 538 HG13 VAL 69 HG13 VAL 69 15.232 1.553 1.543 539 HG21 VAL 69 HG21 VAL 69 12.076 3.197 0.198 540 HG22 VAL 69 HG22 VAL 69 11.669 1.781 -0.810 541 HG23 VAL 69 HG23 VAL 69 11.670 1.644 0.948 542 HA PRO 70 HA PRO 70 18.654 2.084 -1.332 543 HB2 PRO 70 HB1 PRO 70 19.911 3.682 0.487 544 HB3 PRO 70 HB2 PRO 70 19.211 4.321 -1.031 545 HG2 PRO 70 HG1 PRO 70 17.927 4.261 1.718 546 HG3 PRO 70 HG2 PRO 70 18.095 5.671 0.611 547 HD2 PRO 70 HD1 PRO 70 15.813 4.191 0.696 548 HD3 PRO 70 HD2 PRO 70 16.445 4.817 -0.854 549 HA PRO 71 HA PRO 71 19.362 -1.090 1.577 550 HB2 PRO 71 HB1 PRO 71 22.082 -1.163 1.970 551 HB3 PRO 71 HB2 PRO 71 21.209 -1.722 0.510 552 HG2 PRO 71 HG1 PRO 71 22.580 0.935 0.962 553 HG3 PRO 71 HG2 PRO 71 22.691 -0.146 -0.475 554 HD2 PRO 71 HD1 PRO 71 21.031 1.999 -0.451 555 HD3 PRO 71 HD2 PRO 71 20.532 0.456 -1.203 556 H LYS 72 H LYS 72 19.326 -1.594 3.642 557 HA LYS 72 HA LYS 72 19.206 -1.449 5.870 558 HB2 LYS 72 HB1 LYS 72 21.322 0.710 5.822 559 HB3 LYS 72 HB2 LYS 72 20.924 -0.391 7.154 560 HG2 LYS 72 HG1 LYS 72 22.191 -1.138 4.493 561 HG3 LYS 72 HG2 LYS 72 23.002 -1.009 6.065 562 HD2 LYS 72 HD1 LYS 72 21.775 -2.956 6.901 563 HD3 LYS 72 HD2 LYS 72 20.784 -3.004 5.414 564 HE2 LYS 72 HE1 LYS 72 22.853 -3.314 4.078 565 HE3 LYS 72 HE2 LYS 72 23.805 -3.437 5.554 566 HZ1 LYS 72 HZ1 LYS 72 22.599 -5.442 6.098 567 HZ2 LYS 72 HZ2 LYS 72 23.139 -5.562 4.550 568 HZ3 LYS 72 HZ3 LYS 72 21.559 -5.244 4.836 569 H GLY 73 H GLY 73 18.236 0.946 3.973 570 HA2 GLY 73 HA3 GLY 73 17.024 2.710 6.019 571 HA3 GLY 73 HA2 GLY 73 16.850 2.850 4.255 572 H ARG 74 H ARG 74 14.681 3.092 5.974 573 HA ARG 74 HA ARG 74 12.931 0.997 4.912 574 HB2 ARG 74 HB1 ARG 74 11.903 0.418 6.983 575 HB3 ARG 74 HB2 ARG 74 13.637 0.013 6.982 576 HG2 ARG 74 HG1 ARG 74 13.432 0.787 9.089 577 HG3 ARG 74 HG2 ARG 74 13.848 2.305 8.312 578 HD2 ARG 74 HD1 ARG 74 12.040 2.654 9.884 579 HD3 ARG 74 HD2 ARG 74 11.424 2.852 8.243 580 HE ARG 74 HE ARG 74 11.003 0.159 8.966 581 HH11 ARG 74 HH12 ARG 74 9.695 3.310 9.966 582 HH12 ARG 74 HH11 ARG 74 8.078 2.656 10.093 583 HH21 ARG 74 HH22 ARG 74 9.126 -0.580 9.337 584 HH22 ARG 74 HH21 ARG 74 7.736 0.448 9.714 585 H VAL 75 H VAL 75 10.827 1.713 4.636 586 HA VAL 75 HA VAL 75 10.068 4.530 5.226 587 HB VAL 75 HB VAL 75 10.466 3.579 2.346 588 HG11 VAL 75 HG11 VAL 75 9.577 6.268 3.489 589 HG12 VAL 75 HG12 VAL 75 9.999 5.989 1.785 590 HG13 VAL 75 HG13 VAL 75 8.616 5.161 2.482 591 HG21 VAL 75 HG21 VAL 75 12.687 4.057 3.281 592 HG22 VAL 75 HG22 VAL 75 12.225 5.317 2.144 593 HG23 VAL 75 HG23 VAL 75 12.115 5.628 3.889 594 H GLU 76 H GLU 76 7.787 4.816 4.974 595 HA GLU 76 HA GLU 76 6.324 2.269 4.402 596 HB2 GLU 76 HB1 GLU 76 5.660 4.301 6.532 597 HB3 GLU 76 HB2 GLU 76 4.955 2.683 6.257 598 HG2 GLU 76 HG1 GLU 76 7.250 1.707 6.605 599 HG3 GLU 76 HG2 GLU 76 7.806 3.314 7.121 600 H LEU 77 H LEU 77 4.401 2.208 3.599 601 HA LEU 77 HA LEU 77 3.343 4.349 1.911 602 HB2 LEU 77 HB1 LEU 77 2.570 1.467 2.471 603 HB3 LEU 77 HB2 LEU 77 1.687 2.551 1.379 604 HG LEU 77 HG LEU 77 4.146 2.770 0.280 605 HD11 LEU 77 HD11 LEU 77 4.083 -0.066 1.420 606 HD12 LEU 77 HD12 LEU 77 5.267 1.192 1.842 607 HD13 LEU 77 HD13 LEU 77 5.226 0.526 0.206 608 HD21 LEU 77 HD21 LEU 77 3.422 0.930 -1.303 609 HD22 LEU 77 HD22 LEU 77 2.201 2.165 -0.992 610 HD23 LEU 77 HD23 LEU 77 2.083 0.586 -0.184 611 H LYS 78 H LYS 78 3.152 5.742 3.766 612 HA LYS 78 HA LYS 78 1.206 5.343 5.799 613 HB2 LYS 78 HB1 LYS 78 1.375 7.726 6.227 614 HB3 LYS 78 HB2 LYS 78 2.966 7.015 6.044 615 HG2 LYS 78 HG1 LYS 78 1.549 8.466 3.777 616 HG3 LYS 78 HG2 LYS 78 2.451 9.357 5.020 617 HD2 LYS 78 HD1 LYS 78 3.622 7.308 3.104 618 HD3 LYS 78 HD2 LYS 78 3.734 9.085 2.953 619 HE2 LYS 78 HE1 LYS 78 5.097 9.245 4.930 620 HE3 LYS 78 HE2 LYS 78 4.794 7.541 5.356 621 HZ1 LYS 78 HZ1 LYS 78 6.290 8.409 2.953 622 HZ2 LYS 78 HZ2 LYS 78 6.014 6.865 3.459 623 HZ3 LYS 78 HZ3 LYS 78 6.968 7.858 4.347 624 HA PRO 79 HA PRO 79 -2.642 5.943 3.743 625 HB2 PRO 79 HB1 PRO 79 -4.216 7.120 5.692 626 HB3 PRO 79 HB2 PRO 79 -3.800 5.381 5.632 627 HG2 PRO 79 HG1 PRO 79 -2.441 7.564 7.224 628 HG3 PRO 79 HG2 PRO 79 -2.941 5.925 7.778 629 HD2 PRO 79 HD1 PRO 79 -0.374 6.439 7.059 630 HD3 PRO 79 HD2 PRO 79 -1.158 4.898 6.602 631 H GLY 80 H GLY 80 -1.402 8.846 5.432 632 HA2 GLY 80 HA3 GLY 80 -2.671 10.674 3.560 633 HA3 GLY 80 HA2 GLY 80 -1.457 11.063 4.800 634 H GLY 81 H GLY 81 -1.270 8.783 2.057 635 HA2 GLY 81 HA3 GLY 81 0.023 10.288 0.126 636 HA3 GLY 81 HA2 GLY 81 1.329 9.694 1.175 637 H TYR 82 H TYR 82 2.295 7.941 0.328 638 HA TYR 82 HA TYR 82 1.101 6.531 -1.861 639 HB2 TYR 82 HB1 TYR 82 3.608 6.073 -0.251 640 HB3 TYR 82 HB2 TYR 82 3.127 5.019 -1.599 641 HD1 TYR 82 HD2 TYR 82 4.225 8.495 -0.736 642 HD2 TYR 82 HD1 TYR 82 3.337 5.656 -3.847 643 HE1 TYR 82 HE2 TYR 82 5.386 9.943 -2.399 644 HE2 TYR 82 HE1 TYR 82 4.626 7.007 -5.458 645 HH TYR 82 HH TYR 82 5.793 8.946 -5.814 646 H HIS 83 H HIS 83 0.362 4.522 -2.100 647 HA HIS 83 HA HIS 83 0.058 2.566 0.033 648 HB2 HIS 83 HB1 HIS 83 -2.303 2.743 0.363 649 HB3 HIS 83 HB2 HIS 83 -1.493 4.260 0.798 650 HD1 HIS 83 HD1 HIS 83 -1.885 6.340 -0.923 651 HD2 HIS 83 HD2 HIS 83 -4.126 2.843 -1.569 652 HE1 HIS 83 HE1 HIS 83 -3.672 6.931 -2.655 653 H PHE 84 H PHE 84 -1.392 0.713 -0.674 654 HA PHE 84 HA PHE 84 -1.317 0.411 -3.651 655 HB2 PHE 84 HB1 PHE 84 -1.789 -1.591 -1.417 656 HB3 PHE 84 HB2 PHE 84 -1.965 -1.956 -3.146 657 HD1 PHE 84 HD1 PHE 84 0.035 -1.797 -4.674 658 HD2 PHE 84 HD2 PHE 84 0.340 -1.465 -0.398 659 HE1 PHE 84 HE1 PHE 84 2.462 -2.291 -4.810 660 HE2 PHE 84 HE2 PHE 84 2.783 -1.988 -0.525 661 HZ PHE 84 HZ PHE 84 3.825 -2.388 -2.730 662 H MET 85 H MET 85 -3.284 -0.041 -4.730 663 HA MET 85 HA MET 85 -5.888 0.223 -3.263 664 HB2 MET 85 HB1 MET 85 -5.135 1.703 -5.397 665 HB3 MET 85 HB2 MET 85 -5.899 0.327 -6.221 666 HG2 MET 85 HG1 MET 85 -7.639 1.855 -5.891 667 HG3 MET 85 HG2 MET 85 -7.876 0.637 -4.637 668 HE1 MET 85 HE1 MET 85 -9.244 3.606 -2.648 669 HE2 MET 85 HE2 MET 85 -9.538 3.200 -4.356 670 HE3 MET 85 HE3 MET 85 -9.416 1.908 -3.144 671 H LEU 86 H LEU 86 -7.291 -1.513 -3.425 672 HA LEU 86 HA LEU 86 -6.388 -3.992 -4.869 673 HB2 LEU 86 HB1 LEU 86 -7.864 -3.464 -2.265 674 HB3 LEU 86 HB2 LEU 86 -7.964 -5.029 -3.109 675 HG LEU 86 HG LEU 86 -5.521 -5.320 -2.824 676 HD11 LEU 86 HD11 LEU 86 -5.684 -2.748 -1.181 677 HD12 LEU 86 HD12 LEU 86 -4.627 -3.075 -2.579 678 HD13 LEU 86 HD13 LEU 86 -4.358 -3.925 -1.065 679 HD21 LEU 86 HD21 LEU 86 -5.663 -5.838 -0.418 680 HD22 LEU 86 HD22 LEU 86 -7.188 -6.235 -1.221 681 HD23 LEU 86 HD23 LEU 86 -7.062 -4.752 -0.253 682 H LEU 87 H LEU 87 -7.823 -4.814 -6.359 683 HA LEU 87 HA LEU 87 -10.674 -3.944 -6.242 684 HB2 LEU 87 HB1 LEU 87 -8.826 -3.065 -8.219 685 HB3 LEU 87 HB2 LEU 87 -9.831 -4.303 -9.002 686 HG LEU 87 HG LEU 87 -11.824 -2.914 -7.922 687 HD11 LEU 87 HD11 LEU 87 -10.279 -1.349 -6.673 688 HD12 LEU 87 HD12 LEU 87 -11.356 -0.503 -7.796 689 HD13 LEU 87 HD13 LEU 87 -9.654 -0.772 -8.221 690 HD21 LEU 87 HD21 LEU 87 -11.471 -3.237 -10.339 691 HD22 LEU 87 HD22 LEU 87 -10.279 -1.915 -10.349 692 HD23 LEU 87 HD23 LEU 87 -11.983 -1.581 -9.975 693 H GLY 88 H GLY 88 -12.078 -5.562 -6.450 694 HA2 GLY 88 HA3 GLY 88 -13.003 -7.563 -7.208 695 HA3 GLY 88 HA2 GLY 88 -11.461 -7.977 -7.992 696 H LEU 89 H LEU 89 -12.262 -7.238 -4.608 697 HA LEU 89 HA LEU 89 -10.622 -8.978 -3.351 698 HB2 LEU 89 HB1 LEU 89 -13.358 -8.520 -2.220 699 HB3 LEU 89 HB2 LEU 89 -11.809 -8.696 -1.368 700 HG LEU 89 HG LEU 89 -12.857 -6.272 -2.832 701 HD11 LEU 89 HD11 LEU 89 -12.342 -7.003 0.056 702 HD12 LEU 89 HD12 LEU 89 -13.900 -6.741 -0.703 703 HD13 LEU 89 HD13 LEU 89 -12.797 -5.360 -0.487 704 HD21 LEU 89 HD21 LEU 89 -10.196 -6.541 -1.371 705 HD22 LEU 89 HD22 LEU 89 -10.872 -5.054 -2.068 706 HD23 LEU 89 HD23 LEU 89 -10.377 -6.378 -3.134 707 H LYS 90 H LYS 90 -10.842 -10.766 -2.045 708 HA LYS 90 HA LYS 90 -12.678 -12.903 -3.107 709 HB2 LYS 90 HB1 LYS 90 -9.918 -13.330 -1.990 710 HB3 LYS 90 HB2 LYS 90 -10.966 -14.526 -2.784 711 HG2 LYS 90 HG1 LYS 90 -9.626 -12.123 -4.078 712 HG3 LYS 90 HG2 LYS 90 -9.196 -13.847 -4.261 713 HD2 LYS 90 HD1 LYS 90 -11.296 -14.280 -5.428 714 HD3 LYS 90 HD2 LYS 90 -11.767 -12.574 -5.250 715 HE2 LYS 90 HE1 LYS 90 -9.839 -11.847 -6.543 716 HE3 LYS 90 HE2 LYS 90 -9.230 -13.508 -6.660 717 HZ1 LYS 90 HZ1 LYS 90 -10.338 -12.927 -8.661 718 HZ2 LYS 90 HZ2 LYS 90 -11.674 -12.423 -7.919 719 HZ3 LYS 90 HZ3 LYS 90 -11.280 -14.030 -7.925 720 H ARG 91 H ARG 91 -11.441 -11.395 -0.304 721 HA ARG 91 HA ARG 91 -13.537 -12.689 1.378 722 HB2 ARG 91 HB1 ARG 91 -10.929 -11.397 2.285 723 HB3 ARG 91 HB2 ARG 91 -12.278 -11.805 3.367 724 HG2 ARG 91 HG1 ARG 91 -11.920 -14.120 3.135 725 HG3 ARG 91 HG2 ARG 91 -10.892 -13.909 1.691 726 HD2 ARG 91 HD1 ARG 91 -9.491 -14.510 3.525 727 HD3 ARG 91 HD2 ARG 91 -9.153 -12.835 3.099 728 HE ARG 91 HE ARG 91 -11.028 -12.790 5.233 729 HH11 ARG 91 HH12 ARG 91 -7.523 -13.300 4.693 730 HH12 ARG 91 HH11 ARG 91 -7.235 -13.406 6.394 731 HH21 ARG 91 HH22 ARG 91 -10.427 -12.981 7.485 732 HH22 ARG 91 HH21 ARG 91 -8.706 -13.274 7.818 733 HA PRO 92 HA PRO 92 -14.730 -8.218 1.365 734 HB2 PRO 92 HB1 PRO 92 -16.672 -8.278 3.278 735 HB3 PRO 92 HB2 PRO 92 -16.969 -8.848 1.607 736 HG2 PRO 92 HG1 PRO 92 -16.323 -10.499 4.058 737 HG3 PRO 92 HG2 PRO 92 -17.575 -10.809 2.805 738 HD2 PRO 92 HD1 PRO 92 -15.084 -12.018 2.824 739 HD3 PRO 92 HD2 PRO 92 -15.982 -11.674 1.317 740 H LEU 93 H LEU 93 -13.608 -6.721 2.596 741 HA LEU 93 HA LEU 93 -11.937 -7.653 4.783 742 HB2 LEU 93 HB1 LEU 93 -12.285 -5.140 3.193 743 HB3 LEU 93 HB2 LEU 93 -11.526 -5.018 4.807 744 HG LEU 93 HG LEU 93 -9.909 -6.833 4.065 745 HD11 LEU 93 HD11 LEU 93 -11.108 -7.621 2.025 746 HD12 LEU 93 HD12 LEU 93 -9.467 -7.067 1.679 747 HD13 LEU 93 HD13 LEU 93 -10.835 -6.012 1.294 748 HD21 LEU 93 HD21 LEU 93 -9.261 -4.502 4.302 749 HD22 LEU 93 HD22 LEU 93 -9.939 -4.107 2.707 750 HD23 LEU 93 HD23 LEU 93 -8.525 -5.172 2.833 751 H LYS 94 H LYS 94 -13.667 -8.446 6.164 752 HA LYS 94 HA LYS 94 -15.426 -6.631 7.515 753 HB2 LYS 94 HB1 LYS 94 -14.363 -9.141 8.801 754 HB3 LYS 94 HB2 LYS 94 -15.961 -8.381 8.964 755 HG2 LYS 94 HG1 LYS 94 -16.481 -9.117 6.625 756 HG3 LYS 94 HG2 LYS 94 -14.923 -9.961 6.559 757 HD2 LYS 94 HD1 LYS 94 -16.949 -10.434 8.760 758 HD3 LYS 94 HD2 LYS 94 -16.964 -11.358 7.255 759 HE2 LYS 94 HE1 LYS 94 -14.526 -11.163 9.069 760 HE3 LYS 94 HE2 LYS 94 -15.767 -12.405 9.303 761 HZ1 LYS 94 HZ1 LYS 94 -13.712 -12.954 7.941 762 HZ2 LYS 94 HZ2 LYS 94 -14.244 -12.071 6.766 763 HZ3 LYS 94 HZ3 LYS 94 -15.153 -13.385 7.226 764 H ALA 95 H ALA 95 -15.382 -6.382 9.921 765 HA ALA 95 HA ALA 95 -12.872 -5.114 10.825 766 HB1 ALA 95 HB1 ALA 95 -15.082 -4.100 11.399 767 HB2 ALA 95 HB2 ALA 95 -15.526 -5.591 12.265 768 HB3 ALA 95 HB3 ALA 95 -14.175 -4.595 12.841 769 H GLY 96 H GLY 96 -11.310 -6.366 11.531 770 HA2 GLY 96 HA3 GLY 96 -10.288 -7.923 12.971 771 HA3 GLY 96 HA2 GLY 96 -11.861 -8.712 13.235 772 H GLU 97 H GLU 97 -11.139 -8.219 9.854 773 HA GLU 97 HA GLU 97 -10.096 -10.974 9.482 774 HB2 GLU 97 HB1 GLU 97 -10.078 -8.630 7.569 775 HB3 GLU 97 HB2 GLU 97 -9.670 -10.298 7.159 776 HG2 GLU 97 HG1 GLU 97 -12.436 -9.517 8.019 777 HG3 GLU 97 HG2 GLU 97 -11.855 -9.379 6.338 778 H GLU 98 H GLU 98 -8.002 -10.908 8.118 779 HA GLU 98 HA GLU 98 -6.281 -8.689 8.498 780 HB2 GLU 98 HB1 GLU 98 -4.317 -10.360 8.301 781 HB3 GLU 98 HB2 GLU 98 -4.993 -9.995 9.910 782 HG2 GLU 98 HG1 GLU 98 -4.349 -12.383 9.506 783 HG3 GLU 98 HG2 GLU 98 -6.002 -12.113 10.090 784 H VAL 99 H VAL 99 -4.743 -8.882 6.819 785 HA VAL 99 HA VAL 99 -5.539 -10.147 4.245 786 HB VAL 99 HB VAL 99 -5.020 -7.172 4.695 787 HG11 VAL 99 HG11 VAL 99 -5.046 -8.741 2.098 788 HG12 VAL 99 HG12 VAL 99 -5.283 -6.979 2.171 789 HG13 VAL 99 HG13 VAL 99 -3.767 -7.692 2.725 790 HG21 VAL 99 HG21 VAL 99 -7.224 -6.946 3.503 791 HG22 VAL 99 HG22 VAL 99 -7.397 -8.716 3.588 792 HG23 VAL 99 HG23 VAL 99 -7.332 -7.756 5.067 793 H GLU 100 H GLU 100 -3.845 -11.270 3.676 794 HA GLU 100 HA GLU 100 -1.089 -10.529 4.362 795 HB2 GLU 100 HB1 GLU 100 -1.908 -12.870 4.292 796 HB3 GLU 100 HB2 GLU 100 -2.164 -12.729 2.555 797 HG2 GLU 100 HG1 GLU 100 0.534 -11.883 3.227 798 HG3 GLU 100 HG2 GLU 100 0.203 -13.462 3.978 799 H LEU 101 H LEU 101 0.403 -9.657 2.991 800 HA LEU 101 HA LEU 101 -0.354 -9.060 0.189 801 HB2 LEU 101 HB1 LEU 101 0.219 -7.097 2.245 802 HB3 LEU 101 HB2 LEU 101 1.498 -7.070 0.990 803 HG LEU 101 HG LEU 101 -0.352 -6.864 -0.728 804 HD11 LEU 101 HD11 LEU 101 -2.024 -5.935 1.639 805 HD12 LEU 101 HD12 LEU 101 -2.270 -7.475 0.817 806 HD13 LEU 101 HD13 LEU 101 -2.495 -5.963 -0.071 807 HD21 LEU 101 HD21 LEU 101 1.113 -5.020 -0.108 808 HD22 LEU 101 HD22 LEU 101 0.020 -4.597 1.234 809 HD23 LEU 101 HD23 LEU 101 -0.532 -4.461 -0.453 810 H ASP 102 H ASP 102 1.064 -9.420 -1.227 811 HA ASP 102 HA ASP 102 3.880 -10.318 -0.848 812 HB2 ASP 102 HB1 ASP 102 1.777 -10.401 -2.985 813 HB3 ASP 102 HB2 ASP 102 3.416 -10.252 -3.574 814 H LEU 103 H LEU 103 5.531 -9.066 -1.684 815 HA LEU 103 HA LEU 103 4.959 -6.357 -2.837 816 HB2 LEU 103 HB1 LEU 103 7.089 -7.226 -0.847 817 HB3 LEU 103 HB2 LEU 103 7.063 -5.667 -1.706 818 HG LEU 103 HG LEU 103 4.701 -5.404 -0.549 819 HD11 LEU 103 HD11 LEU 103 6.084 -7.399 1.315 820 HD12 LEU 103 HD12 LEU 103 4.514 -7.630 0.518 821 HD13 LEU 103 HD13 LEU 103 4.692 -6.384 1.744 822 HD21 LEU 103 HD21 LEU 103 7.348 -5.175 0.953 823 HD22 LEU 103 HD22 LEU 103 5.840 -4.354 1.412 824 HD23 LEU 103 HD23 LEU 103 6.622 -3.959 -0.118 825 H LEU 104 H LEU 104 5.754 -6.195 -4.847 826 HA LEU 104 HA LEU 104 7.622 -8.305 -5.838 827 HB2 LEU 104 HB1 LEU 104 5.675 -6.480 -7.281 828 HB3 LEU 104 HB2 LEU 104 6.679 -7.685 -8.068 829 HG LEU 104 HG LEU 104 4.382 -8.159 -6.132 830 HD11 LEU 104 HD11 LEU 104 3.288 -9.201 -8.075 831 HD12 LEU 104 HD12 LEU 104 4.702 -8.830 -9.087 832 HD13 LEU 104 HD13 LEU 104 3.710 -7.518 -8.415 833 HD21 LEU 104 HD21 LEU 104 4.679 -10.589 -6.599 834 HD22 LEU 104 HD22 LEU 104 6.060 -9.909 -5.739 835 HD23 LEU 104 HD23 LEU 104 6.182 -10.226 -7.483 836 H PHE 105 H PHE 105 9.621 -7.823 -6.237 837 HA PHE 105 HA PHE 105 10.463 -4.977 -6.630 838 HB2 PHE 105 HB1 PHE 105 11.873 -7.367 -5.427 839 HB3 PHE 105 HB2 PHE 105 12.610 -5.779 -5.676 840 HD1 PHE 105 HD1 PHE 105 11.891 -3.831 -4.306 841 HD2 PHE 105 HD2 PHE 105 10.272 -7.771 -3.610 842 HE1 PHE 105 HE1 PHE 105 11.085 -3.113 -2.079 843 HE2 PHE 105 HE2 PHE 105 9.428 -7.025 -1.433 844 HZ PHE 105 HZ PHE 105 9.857 -4.719 -0.623 845 H ALA 106 H ALA 106 11.865 -4.405 -8.157 846 HA ALA 106 HA ALA 106 12.270 -5.960 -10.539 847 HB1 ALA 106 HB1 ALA 106 13.810 -3.548 -9.481 848 HB2 ALA 106 HB2 ALA 106 13.816 -4.141 -11.156 849 HB3 ALA 106 HB3 ALA 106 12.325 -3.476 -10.461 850 H GLY 107 H GLY 107 14.105 -7.095 -11.286 851 HA2 GLY 107 HA3 GLY 107 16.119 -8.269 -11.103 852 HA3 GLY 107 HA2 GLY 107 16.345 -7.625 -9.461 853 H GLY 108 H GLY 108 13.316 -9.168 -10.303 854 HA2 GLY 108 HA3 GLY 108 12.511 -11.301 -10.232 855 HA3 GLY 108 HA2 GLY 108 14.181 -11.876 -10.026 856 H LYS 109 H LYS 109 12.314 -9.779 -7.780 857 HA LYS 109 HA LYS 109 12.694 -11.875 -5.661 858 HB2 LYS 109 HB1 LYS 109 13.439 -8.934 -5.722 859 HB3 LYS 109 HB2 LYS 109 13.302 -9.829 -4.196 860 HG2 LYS 109 HG1 LYS 109 15.164 -11.131 -4.625 861 HG3 LYS 109 HG2 LYS 109 15.006 -11.002 -6.389 862 HD2 LYS 109 HD1 LYS 109 15.674 -8.574 -6.201 863 HD3 LYS 109 HD2 LYS 109 16.051 -8.872 -4.495 864 HE2 LYS 109 HE1 LYS 109 17.665 -10.623 -5.135 865 HE3 LYS 109 HE2 LYS 109 17.161 -10.484 -6.842 866 HZ1 LYS 109 HZ1 LYS 109 18.569 -8.423 -5.253 867 HZ2 LYS 109 HZ2 LYS 109 18.011 -8.215 -6.789 868 HZ3 LYS 109 HZ3 LYS 109 19.196 -9.314 -6.492 869 H VAL 110 H VAL 110 11.206 -12.057 -4.072 870 HA VAL 110 HA VAL 110 8.964 -10.168 -3.935 871 HB VAL 110 HB VAL 110 8.284 -12.118 -5.261 872 HG11 VAL 110 HG11 VAL 110 8.033 -14.348 -4.307 873 HG12 VAL 110 HG12 VAL 110 9.732 -13.856 -4.276 874 HG13 VAL 110 HG13 VAL 110 8.767 -13.818 -2.784 875 HG21 VAL 110 HG21 VAL 110 6.189 -12.574 -4.183 876 HG22 VAL 110 HG22 VAL 110 6.845 -12.201 -2.579 877 HG23 VAL 110 HG23 VAL 110 6.628 -10.907 -3.772 878 H LEU 111 H LEU 111 7.955 -10.014 -1.921 879 HA LEU 111 HA LEU 111 9.087 -11.328 0.473 880 HB2 LEU 111 HB1 LEU 111 10.346 -9.185 -0.086 881 HB3 LEU 111 HB2 LEU 111 8.796 -8.326 0.104 882 HG LEU 111 HG LEU 111 8.759 -8.907 2.493 883 HD11 LEU 111 HD11 LEU 111 10.064 -10.999 2.493 884 HD12 LEU 111 HD12 LEU 111 10.840 -9.808 3.544 885 HD13 LEU 111 HD13 LEU 111 11.506 -10.126 1.926 886 HD21 LEU 111 HD21 LEU 111 10.610 -7.375 3.113 887 HD22 LEU 111 HD22 LEU 111 9.727 -6.789 1.692 888 HD23 LEU 111 HD23 LEU 111 11.310 -7.564 1.488 889 H LYS 112 H LYS 112 7.559 -10.965 2.374 890 HA LYS 112 HA LYS 112 4.833 -10.114 1.532 891 HB2 LYS 112 HB1 LYS 112 5.674 -12.680 2.902 892 HB3 LYS 112 HB2 LYS 112 4.022 -12.030 3.091 893 HG2 LYS 112 HG1 LYS 112 3.700 -12.052 0.669 894 HG3 LYS 112 HG2 LYS 112 5.332 -12.703 0.427 895 HD2 LYS 112 HD1 LYS 112 4.746 -14.742 1.634 896 HD3 LYS 112 HD2 LYS 112 3.144 -14.106 2.039 897 HE2 LYS 112 HE1 LYS 112 4.138 -14.446 -0.822 898 HE3 LYS 112 HE2 LYS 112 3.252 -15.717 0.042 899 HZ1 LYS 112 HZ1 LYS 112 1.353 -14.253 0.206 900 HZ2 LYS 112 HZ2 LYS 112 1.881 -14.157 -1.390 901 HZ3 LYS 112 HZ3 LYS 112 2.202 -12.992 -0.354 902 H VAL 113 H VAL 113 3.346 -9.776 3.310 903 HA VAL 113 HA VAL 113 4.411 -9.083 5.975 904 HB VAL 113 HB VAL 113 3.248 -6.858 5.981 905 HG11 VAL 113 HG11 VAL 113 5.483 -6.961 3.925 906 HG12 VAL 113 HG12 VAL 113 4.977 -5.569 4.901 907 HG13 VAL 113 HG13 VAL 113 5.705 -6.980 5.688 908 HG21 VAL 113 HG21 VAL 113 3.022 -7.263 2.975 909 HG22 VAL 113 HG22 VAL 113 1.699 -7.100 4.140 910 HG23 VAL 113 HG23 VAL 113 2.769 -5.732 3.827 911 H VAL 114 H VAL 114 2.680 -8.706 7.575 912 HA VAL 114 HA VAL 114 0.009 -9.847 6.722 913 HB VAL 114 HB VAL 114 1.396 -10.187 9.418 914 HG11 VAL 114 HG11 VAL 114 -0.523 -11.711 9.907 915 HG12 VAL 114 HG12 VAL 114 -1.052 -10.043 9.693 916 HG13 VAL 114 HG13 VAL 114 -1.290 -11.219 8.383 917 HG21 VAL 114 HG21 VAL 114 0.804 -12.202 7.195 918 HG22 VAL 114 HG22 VAL 114 2.413 -11.646 7.700 919 HG23 VAL 114 HG23 VAL 114 1.429 -12.604 8.808 920 H LEU 115 H LEU 115 -1.628 -8.490 6.911 921 HA LEU 115 HA LEU 115 -1.329 -6.003 8.563 922 HB2 LEU 115 HB1 LEU 115 -2.874 -6.356 5.982 923 HB3 LEU 115 HB2 LEU 115 -2.398 -4.842 6.743 924 HG LEU 115 HG LEU 115 -0.553 -6.808 5.316 925 HD11 LEU 115 HD11 LEU 115 -1.511 -4.019 4.543 926 HD12 LEU 115 HD12 LEU 115 -2.120 -5.546 3.870 927 HD13 LEU 115 HD13 LEU 115 -0.433 -5.078 3.603 928 HD21 LEU 115 HD21 LEU 115 1.193 -5.105 5.548 929 HD22 LEU 115 HD22 LEU 115 0.638 -5.570 7.159 930 HD23 LEU 115 HD23 LEU 115 0.078 -4.055 6.429 931 HA PRO 116 HA PRO 116 -5.401 -7.553 10.075 932 HB2 PRO 116 HB1 PRO 116 -5.859 -5.791 12.092 933 HB3 PRO 116 HB2 PRO 116 -4.665 -7.120 12.225 934 HG2 PRO 116 HG1 PRO 116 -4.154 -4.220 11.512 935 HG3 PRO 116 HG2 PRO 116 -3.269 -5.239 12.705 936 HD2 PRO 116 HD1 PRO 116 -2.367 -4.825 10.153 937 HD3 PRO 116 HD2 PRO 116 -2.097 -6.361 11.009 938 H VAL 117 H VAL 117 -7.630 -6.840 9.845 939 HA VAL 117 HA VAL 117 -7.908 -4.320 8.279 940 HB VAL 117 HB VAL 117 -9.944 -6.497 8.750 941 HG11 VAL 117 HG11 VAL 117 -11.044 -4.272 8.441 942 HG12 VAL 117 HG12 VAL 117 -10.026 -3.957 7.015 943 HG13 VAL 117 HG13 VAL 117 -11.233 -5.258 7.001 944 HG21 VAL 117 HG21 VAL 117 -9.581 -6.870 6.298 945 HG22 VAL 117 HG22 VAL 117 -8.267 -5.685 6.320 946 HG23 VAL 117 HG23 VAL 117 -8.122 -7.193 7.244 947 H GLU 118 H GLU 118 -8.302 -2.526 9.239 948 HA GLU 118 HA GLU 118 -9.460 -2.412 11.972 949 HB2 GLU 118 HB1 GLU 118 -8.141 -0.312 10.230 950 HB3 GLU 118 HB2 GLU 118 -8.839 -0.029 11.851 951 HG2 GLU 118 HG1 GLU 118 -7.188 -1.802 12.690 952 HG3 GLU 118 HG2 GLU 118 -6.378 -1.652 11.124 953 H ALA 119 H ALA 119 -11.444 -1.799 12.332 954 HA ALA 119 HA ALA 119 -12.765 0.194 10.565 955 HB1 ALA 119 HB1 ALA 119 -14.204 -1.807 10.819 956 HB2 ALA 119 HB2 ALA 119 -14.048 -1.698 12.590 957 HB3 ALA 119 HB3 ALA 119 -14.883 -0.416 11.690 958 H ARG 120 H ARG 120 -13.588 2.051 11.765 959 HA ARG 120 HA ARG 120 -12.712 2.634 14.487 960 HB2 ARG 120 HB1 ARG 120 -11.563 4.049 12.038 961 HB3 ARG 120 HB2 ARG 120 -11.462 4.647 13.717 962 HG2 ARG 120 HG1 ARG 120 -10.149 2.622 14.322 963 HG3 ARG 120 HG2 ARG 120 -10.167 2.112 12.617 964 HD2 ARG 120 HD1 ARG 120 -8.979 4.103 11.932 965 HD3 ARG 120 HD2 ARG 120 -9.065 4.787 13.561 966 HE ARG 120 HE ARG 120 -7.311 2.577 12.610 967 HH11 ARG 120 HH12 ARG 120 -8.442 4.245 15.441 968 HH12 ARG 120 HH11 ARG 120 -7.133 3.622 16.424 969 HH21 ARG 120 HH22 ARG 120 -5.810 1.706 13.911 970 HH22 ARG 120 HH21 ARG 120 -5.705 2.194 15.570 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 14.400 3.643 19.851 2 H2 GLY 1 2H GLY 1 15.860 4.135 19.251 3 H3 GLY 1 3H GLY 1 15.474 2.528 19.326 4 HA2 GLY 1 HA3 GLY 1 14.098 4.515 17.640 5 HA3 GLY 1 HA2 GLY 1 15.287 3.326 17.060 6 H SER 2 H SER 2 12.876 3.082 15.801 7 HA SER 2 HA SER 2 11.761 0.557 16.647 8 HB2 SER 2 HB1 SER 2 9.464 1.480 17.032 9 HB3 SER 2 HB2 SER 2 10.622 1.882 18.320 10 HG SER 2 HG SER 2 9.237 3.632 17.499 11 H PHE 3 H PHE 3 9.854 -0.015 15.284 12 HA PHE 3 HA PHE 3 9.544 1.453 12.757 13 HB2 PHE 3 HB1 PHE 3 9.374 -0.651 11.524 14 HB3 PHE 3 HB2 PHE 3 10.991 -0.409 12.202 15 HD1 PHE 3 HD1 PHE 3 7.854 -2.411 12.452 16 HD2 PHE 3 HD2 PHE 3 11.914 -1.911 13.843 17 HE1 PHE 3 HE1 PHE 3 7.766 -4.634 13.519 18 HE2 PHE 3 HE2 PHE 3 11.823 -4.161 14.890 19 HZ PHE 3 HZ PHE 3 9.744 -5.520 14.735 20 H THR 4 H THR 4 7.467 0.181 11.640 21 HA THR 4 HA THR 4 5.273 -0.132 13.562 22 HB THR 4 HB THR 4 4.098 1.747 12.002 23 HG1 THR 4 HG1 THR 4 6.017 2.322 10.952 24 HG21 THR 4 HG21 THR 4 4.106 1.721 14.471 25 HG22 THR 4 HG22 THR 4 4.357 3.347 13.812 26 HG23 THR 4 HG23 THR 4 5.733 2.438 14.472 27 H GLU 5 H GLU 5 3.754 -1.399 12.808 28 HA GLU 5 HA GLU 5 3.906 -2.571 10.192 29 HB2 GLU 5 HB1 GLU 5 1.697 -2.782 12.255 30 HB3 GLU 5 HB2 GLU 5 2.023 -3.885 10.886 31 HG2 GLU 5 HG1 GLU 5 3.010 -5.134 12.468 32 HG3 GLU 5 HG2 GLU 5 4.395 -4.086 12.165 33 H GLY 6 H GLY 6 1.857 -2.921 8.945 34 HA2 GLY 6 HA3 GLY 6 0.659 -0.304 8.198 35 HA3 GLY 6 HA2 GLY 6 0.867 -1.702 7.119 36 H TRP 7 H TRP 7 -1.544 -0.803 6.935 37 HA TRP 7 HA TRP 7 -3.098 -3.015 7.968 38 HB2 TRP 7 HB1 TRP 7 -4.774 -1.933 9.155 39 HB3 TRP 7 HB2 TRP 7 -3.246 -1.426 9.860 40 HD1 TRP 7 HD TRP 7 -6.423 -0.171 8.424 41 HE1 TRP 7 HE1 TRP 7 -6.556 2.354 8.719 42 HE3 TRP 7 3HE TRP 7 -1.524 0.773 9.601 43 HZ2 TRP 7 HZ2 TRP 7 -4.798 4.521 9.478 44 HZ3 TRP 7 HZ3 TRP 7 -0.786 3.069 10.123 45 HH2 TRP 7 HH TRP 7 -2.408 4.955 10.089 46 H VAL 8 H VAL 8 -5.338 -3.069 7.127 47 HA VAL 8 HA VAL 8 -5.511 -1.890 4.359 48 HB VAL 8 HB VAL 8 -6.999 -4.309 5.414 49 HG11 VAL 8 HG11 VAL 8 -8.155 -3.245 3.539 50 HG12 VAL 8 HG12 VAL 8 -6.646 -3.193 2.597 51 HG13 VAL 8 HG13 VAL 8 -7.419 -4.745 2.986 52 HG21 VAL 8 HG21 VAL 8 -4.461 -4.216 3.728 53 HG22 VAL 8 HG22 VAL 8 -4.655 -4.951 5.340 54 HG23 VAL 8 HG23 VAL 8 -5.467 -5.663 3.948 55 H ARG 9 H ARG 9 -7.335 -0.751 3.774 56 HA ARG 9 HA ARG 9 -8.676 0.594 5.909 57 HB2 ARG 9 HB1 ARG 9 -7.871 1.367 3.525 58 HB3 ARG 9 HB2 ARG 9 -9.484 0.845 3.008 59 HG2 ARG 9 HG1 ARG 9 -10.419 2.353 4.839 60 HG3 ARG 9 HG2 ARG 9 -8.780 2.977 5.090 61 HD2 ARG 9 HD1 ARG 9 -8.743 3.986 2.905 62 HD3 ARG 9 HD2 ARG 9 -10.184 3.063 2.393 63 HE ARG 9 HE ARG 9 -11.040 4.417 4.618 64 HH11 ARG 9 HH12 ARG 9 -9.771 5.672 1.574 65 HH12 ARG 9 HH11 ARG 9 -10.887 7.023 1.613 66 HH21 ARG 9 HH22 ARG 9 -12.207 6.072 4.728 67 HH22 ARG 9 HH21 ARG 9 -12.240 7.322 3.495 68 H PHE 10 H PHE 10 -9.599 -2.402 4.785 69 HA PHE 10 HA PHE 10 -11.547 -3.607 4.659 70 HB2 PHE 10 HB1 PHE 10 -12.291 -3.304 6.723 71 HB3 PHE 10 HB2 PHE 10 -12.112 -1.559 6.720 72 HD1 PHE 10 HD2 PHE 10 -13.949 -0.247 5.257 73 HD2 PHE 10 HD1 PHE 10 -14.385 -4.164 6.983 74 HE1 PHE 10 HE2 PHE 10 -16.410 -0.017 5.163 75 HE2 PHE 10 HE1 PHE 10 -16.831 -3.876 7.063 76 HZ PHE 10 HZ PHE 10 -17.873 -1.816 6.099 77 H SER 11 H SER 11 -13.954 -3.531 3.763 78 HA SER 11 HA SER 11 -14.768 -1.128 2.484 79 HB2 SER 11 HB1 SER 11 -13.160 -1.991 0.744 80 HB3 SER 11 HB2 SER 11 -14.143 -3.460 0.597 81 HG SER 11 HG SER 11 -14.444 -1.589 -0.913 82 HA PRO 12 HA PRO 12 -18.543 -3.728 2.649 83 HB2 PRO 12 HB1 PRO 12 -20.406 -2.017 1.727 84 HB3 PRO 12 HB2 PRO 12 -19.596 -1.713 3.294 85 HG2 PRO 12 HG1 PRO 12 -18.893 -0.531 0.587 86 HG3 PRO 12 HG2 PRO 12 -19.154 0.346 2.139 87 HD2 PRO 12 HD1 PRO 12 -16.657 -0.402 1.217 88 HD3 PRO 12 HD2 PRO 12 -17.065 -0.315 2.955 89 H GLY 13 H GLY 13 -16.752 -2.744 -0.059 90 HA2 GLY 13 HA3 GLY 13 -18.498 -4.195 -1.978 91 HA3 GLY 13 HA2 GLY 13 -17.758 -2.625 -2.366 92 HA PRO 14 HA PRO 14 -15.077 -6.183 -3.794 93 HB2 PRO 14 HB1 PRO 14 -14.949 -5.603 -6.458 94 HB3 PRO 14 HB2 PRO 14 -16.334 -6.461 -5.722 95 HG2 PRO 14 HG1 PRO 14 -16.099 -3.504 -6.350 96 HG3 PRO 14 HG2 PRO 14 -17.453 -4.617 -6.757 97 HD2 PRO 14 HD1 PRO 14 -17.517 -2.998 -4.557 98 HD3 PRO 14 HD2 PRO 14 -18.212 -4.642 -4.524 99 H ASN 15 H ASN 15 -14.813 -2.703 -4.196 100 HA ASN 15 HA ASN 15 -11.925 -2.827 -4.693 101 HB2 ASN 15 HB1 ASN 15 -12.274 -0.377 -5.123 102 HB3 ASN 15 HB2 ASN 15 -13.190 -1.446 -6.189 103 HD21 ASN 15 HD21 ASN 15 -13.393 1.339 -4.238 104 HD22 ASN 15 HD22 ASN 15 -15.140 1.346 -4.025 105 H ALA 16 H ALA 16 -10.439 -1.895 -3.465 106 HA ALA 16 HA ALA 16 -10.999 -0.565 -0.879 107 HB1 ALA 16 HB1 ALA 16 -9.845 -2.321 0.412 108 HB2 ALA 16 HB2 ALA 16 -11.222 -3.016 -0.448 109 HB3 ALA 16 HB3 ALA 16 -9.581 -3.263 -1.075 110 H ALA 17 H ALA 17 -8.682 -0.504 0.328 111 HA ALA 17 HA ALA 17 -6.420 0.174 -1.477 112 HB1 ALA 17 HB1 ALA 17 -6.124 2.355 -0.366 113 HB2 ALA 17 HB2 ALA 17 -7.684 2.297 -1.219 114 HB3 ALA 17 HB3 ALA 17 -7.622 2.127 0.553 115 H ALA 18 H ALA 18 -4.515 -0.454 -0.456 116 HA ALA 18 HA ALA 18 -4.634 -1.329 2.403 117 HB1 ALA 18 HB1 ALA 18 -3.112 -3.137 1.741 118 HB2 ALA 18 HB2 ALA 18 -4.616 -3.214 0.803 119 HB3 ALA 18 HB3 ALA 18 -3.131 -2.562 0.061 120 H TYR 19 H TYR 19 -3.054 -0.755 3.731 121 HA TYR 19 HA TYR 19 -0.967 1.099 2.734 122 HB2 TYR 19 HB1 TYR 19 -2.390 1.000 5.430 123 HB3 TYR 19 HB2 TYR 19 -1.253 2.248 4.917 124 HD1 TYR 19 HD1 TYR 19 -1.932 3.476 2.661 125 HD2 TYR 19 HD2 TYR 19 -4.648 1.513 5.350 126 HE1 TYR 19 HE1 TYR 19 -3.817 4.834 1.734 127 HE2 TYR 19 HE2 TYR 19 -6.514 2.908 4.501 128 HH TYR 19 HH TYR 19 -6.018 5.369 1.946 129 H LEU 20 H LEU 20 0.213 -1.069 2.423 130 HA LEU 20 HA LEU 20 0.935 -2.584 4.754 131 HB2 LEU 20 HB1 LEU 20 2.177 -3.978 3.300 132 HB3 LEU 20 HB2 LEU 20 0.664 -3.510 2.501 133 HG LEU 20 HG LEU 20 2.197 -1.712 1.305 134 HD11 LEU 20 HD11 LEU 20 4.324 -2.078 2.494 135 HD12 LEU 20 HD12 LEU 20 4.509 -2.669 0.852 136 HD13 LEU 20 HD13 LEU 20 4.234 -3.821 2.166 137 HD21 LEU 20 HD21 LEU 20 2.192 -4.692 0.689 138 HD22 LEU 20 HD22 LEU 20 2.787 -3.463 -0.439 139 HD23 LEU 20 HD23 LEU 20 1.097 -3.426 0.064 140 H THR 21 H THR 21 3.004 -3.073 5.628 141 HA THR 21 HA THR 21 4.968 -0.835 5.614 142 HB THR 21 HB THR 21 4.544 -3.136 7.547 143 HG1 THR 21 HG1 THR 21 4.768 -0.953 8.766 144 HG21 THR 21 HG21 THR 21 6.477 -2.301 8.810 145 HG22 THR 21 HG22 THR 21 6.886 -1.159 7.505 146 HG23 THR 21 HG23 THR 21 6.999 -2.922 7.261 147 H LEU 22 H LEU 22 6.999 -1.125 5.005 148 HA LEU 22 HA LEU 22 7.932 -3.724 3.867 149 HB2 LEU 22 HB1 LEU 22 7.386 -2.443 1.960 150 HB3 LEU 22 HB2 LEU 22 7.977 -0.928 2.673 151 HG LEU 22 HG LEU 22 10.243 -1.485 2.278 152 HD11 LEU 22 HD11 LEU 22 10.899 -3.609 1.081 153 HD12 LEU 22 HD12 LEU 22 9.291 -4.253 1.475 154 HD13 LEU 22 HD13 LEU 22 10.432 -3.850 2.755 155 HD21 LEU 22 HD21 LEU 22 10.247 -1.624 -0.157 156 HD22 LEU 22 HD22 LEU 22 8.860 -0.651 0.365 157 HD23 LEU 22 HD23 LEU 22 8.618 -2.330 -0.157 158 H GLU 23 H GLU 23 9.408 -4.349 5.360 159 HA GLU 23 HA GLU 23 11.510 -2.502 6.296 160 HB2 GLU 23 HB1 GLU 23 11.166 -5.474 6.803 161 HB3 GLU 23 HB2 GLU 23 12.191 -4.308 7.691 162 HG2 GLU 23 HG1 GLU 23 10.443 -4.578 9.149 163 HG3 GLU 23 HG2 GLU 23 9.927 -3.138 8.278 164 H ASN 24 H ASN 24 13.348 -2.211 5.032 165 HA ASN 24 HA ASN 24 14.320 -4.501 3.384 166 HB2 ASN 24 HB1 ASN 24 14.255 -2.203 2.395 167 HB3 ASN 24 HB2 ASN 24 15.488 -1.703 3.561 168 HD21 ASN 24 HD21 ASN 24 16.526 -1.344 1.263 169 HD22 ASN 24 HD22 ASN 24 17.515 -2.703 0.696 170 HA PRO 25 HA PRO 25 17.123 -5.042 6.974 171 HB2 PRO 25 HB1 PRO 25 17.426 -7.742 6.872 172 HB3 PRO 25 HB2 PRO 25 15.902 -7.015 7.466 173 HG2 PRO 25 HG1 PRO 25 16.503 -7.985 4.644 174 HG3 PRO 25 HG2 PRO 25 15.115 -8.453 5.686 175 HD2 PRO 25 HD1 PRO 25 14.906 -6.465 3.835 176 HD3 PRO 25 HD2 PRO 25 14.109 -6.344 5.434 177 H GLY 26 H GLY 26 17.532 -5.440 3.554 178 HA2 GLY 26 HA3 GLY 26 20.089 -6.757 3.621 179 HA3 GLY 26 HA2 GLY 26 19.223 -6.094 2.217 180 H ASP 27 H ASP 27 21.799 -5.904 2.368 181 HA ASP 27 HA ASP 27 22.787 -3.291 3.220 182 HB2 ASP 27 HB1 ASP 27 23.939 -5.817 1.959 183 HB3 ASP 27 HB2 ASP 27 24.887 -4.410 2.445 184 H LEU 28 H LEU 28 21.194 -4.457 0.593 185 HA LEU 28 HA LEU 28 22.177 -2.356 -1.267 186 HB2 LEU 28 HB1 LEU 28 21.013 -5.089 -1.932 187 HB3 LEU 28 HB2 LEU 28 21.460 -3.877 -3.131 188 HG LEU 28 HG LEU 28 23.403 -5.315 -1.275 189 HD11 LEU 28 HD11 LEU 28 22.853 -5.655 -4.255 190 HD12 LEU 28 HD12 LEU 28 22.398 -6.797 -2.969 191 HD13 LEU 28 HD13 LEU 28 24.107 -6.493 -3.314 192 HD21 LEU 28 HD21 LEU 28 25.150 -4.325 -2.741 193 HD22 LEU 28 HD22 LEU 28 24.249 -3.073 -1.882 194 HD23 LEU 28 HD23 LEU 28 23.906 -3.390 -3.597 195 HA PRO 29 HA PRO 29 18.102 -0.894 -0.875 196 HB2 PRO 29 HB1 PRO 29 17.548 0.423 -3.188 197 HB3 PRO 29 HB2 PRO 29 18.866 0.923 -2.088 198 HG2 PRO 29 HG1 PRO 29 19.055 -0.632 -4.652 199 HG3 PRO 29 HG2 PRO 29 20.164 0.635 -4.021 200 HD2 PRO 29 HD1 PRO 29 20.519 -2.158 -3.835 201 HD3 PRO 29 HD2 PRO 29 21.367 -0.995 -2.816 202 H LEU 30 H LEU 30 15.887 -1.103 -1.336 203 HA LEU 30 HA LEU 30 15.072 -3.224 -3.257 204 HB2 LEU 30 HB1 LEU 30 13.809 -2.307 -0.655 205 HB3 LEU 30 HB2 LEU 30 12.859 -3.163 -1.882 206 HG LEU 30 HG LEU 30 15.415 -4.228 -0.736 207 HD11 LEU 30 HD11 LEU 30 14.086 -5.604 0.809 208 HD12 LEU 30 HD12 LEU 30 12.575 -5.010 0.094 209 HD13 LEU 30 HD13 LEU 30 13.593 -3.918 1.039 210 HD21 LEU 30 HD21 LEU 30 13.196 -5.661 -2.218 211 HD22 LEU 30 HD22 LEU 30 14.595 -6.438 -1.456 212 HD23 LEU 30 HD23 LEU 30 14.840 -5.340 -2.821 213 H ARG 31 H ARG 31 13.271 -2.890 -4.372 214 HA ARG 31 HA ARG 31 12.217 -0.116 -4.692 215 HB2 ARG 31 HB1 ARG 31 14.107 -0.454 -6.347 216 HB3 ARG 31 HB2 ARG 31 13.124 -1.740 -7.085 217 HG2 ARG 31 HG1 ARG 31 11.361 -0.146 -7.619 218 HG3 ARG 31 HG2 ARG 31 12.181 1.143 -6.709 219 HD2 ARG 31 HD1 ARG 31 13.358 -0.173 -9.174 220 HD3 ARG 31 HD2 ARG 31 12.390 1.324 -9.194 221 HE ARG 31 HE ARG 31 14.435 1.668 -7.277 222 HH11 ARG 31 HH12 ARG 31 14.248 1.368 -10.797 223 HH12 ARG 31 HH11 ARG 31 15.747 2.231 -11.029 224 HH21 ARG 31 HH22 ARG 31 16.192 2.877 -7.634 225 HH22 ARG 31 HH21 ARG 31 16.870 3.086 -9.222 226 H LEU 32 H LEU 32 10.055 -0.231 -4.665 227 HA LEU 32 HA LEU 32 8.754 -2.893 -5.017 228 HB2 LEU 32 HB1 LEU 32 8.700 -1.769 -2.821 229 HB3 LEU 32 HB2 LEU 32 7.921 -0.351 -3.546 230 HG LEU 32 HG LEU 32 5.998 -1.907 -4.204 231 HD11 LEU 32 HD11 LEU 32 7.142 -4.085 -4.069 232 HD12 LEU 32 HD12 LEU 32 5.819 -4.036 -2.900 233 HD13 LEU 32 HD13 LEU 32 7.494 -3.812 -2.352 234 HD21 LEU 32 HD21 LEU 32 5.114 -2.003 -1.846 235 HD22 LEU 32 HD22 LEU 32 5.796 -0.427 -2.294 236 HD23 LEU 32 HD23 LEU 32 6.715 -1.542 -1.260 237 H VAL 33 H VAL 33 7.872 -3.174 -6.963 238 HA VAL 33 HA VAL 33 6.972 -0.774 -8.523 239 HB VAL 33 HB VAL 33 7.329 -2.048 -10.542 240 HG11 VAL 33 HG11 VAL 33 9.765 -2.365 -10.485 241 HG12 VAL 33 HG12 VAL 33 9.325 -0.909 -9.597 242 HG13 VAL 33 HG13 VAL 33 9.742 -2.381 -8.712 243 HG21 VAL 33 HG21 VAL 33 6.759 -4.361 -9.737 244 HG22 VAL 33 HG22 VAL 33 8.272 -4.283 -10.640 245 HG23 VAL 33 HG23 VAL 33 8.317 -4.403 -8.879 246 H GLY 34 H GLY 34 5.836 -3.629 -6.932 247 HA2 GLY 34 HA3 GLY 34 3.084 -3.006 -7.591 248 HA3 GLY 34 HA2 GLY 34 3.624 -4.591 -8.188 249 H ALA 35 H ALA 35 1.685 -4.882 -6.606 250 HA ALA 35 HA ALA 35 2.888 -6.300 -4.380 251 HB1 ALA 35 HB1 ALA 35 1.124 -5.624 -2.760 252 HB2 ALA 35 HB2 ALA 35 2.142 -4.273 -3.230 253 HB3 ALA 35 HB3 ALA 35 0.509 -4.437 -3.933 254 H ARG 36 H ARG 36 0.976 -7.721 -3.395 255 HA ARG 36 HA ARG 36 -1.151 -8.489 -5.198 256 HB2 ARG 36 HB1 ARG 36 1.418 -9.835 -5.387 257 HB3 ARG 36 HB2 ARG 36 0.200 -10.990 -4.842 258 HG2 ARG 36 HG1 ARG 36 -0.013 -9.311 -7.348 259 HG3 ARG 36 HG2 ARG 36 0.551 -11.007 -7.243 260 HD2 ARG 36 HD1 ARG 36 -1.673 -11.680 -6.394 261 HD3 ARG 36 HD2 ARG 36 -2.220 -9.991 -6.479 262 HE ARG 36 HE ARG 36 -1.158 -11.144 -8.965 263 HH11 ARG 36 HH12 ARG 36 -4.238 -10.633 -7.166 264 HH12 ARG 36 HH11 ARG 36 -5.077 -10.316 -8.656 265 HH21 ARG 36 HH22 ARG 36 -2.510 -10.910 -10.812 266 HH22 ARG 36 HH21 ARG 36 -4.197 -10.517 -10.551 267 H THR 37 H THR 37 -2.080 -10.699 -4.143 268 HA THR 37 HA THR 37 -1.795 -11.358 -1.493 269 HB THR 37 HB THR 37 -2.373 -9.254 -0.692 270 HG1 THR 37 HG1 THR 37 -3.442 -10.270 0.612 271 HG21 THR 37 HG21 THR 37 -4.543 -8.086 -1.241 272 HG22 THR 37 HG22 THR 37 -4.771 -9.239 -2.569 273 HG23 THR 37 HG23 THR 37 -3.399 -8.109 -2.586 274 HA PRO 38 HA PRO 38 -4.838 -14.253 -2.975 275 HB2 PRO 38 HB1 PRO 38 -5.825 -15.283 -0.616 276 HB3 PRO 38 HB2 PRO 38 -4.226 -15.664 -1.340 277 HG2 PRO 38 HG1 PRO 38 -4.827 -13.700 0.861 278 HG3 PRO 38 HG2 PRO 38 -3.536 -14.954 0.811 279 HD2 PRO 38 HD1 PRO 38 -3.070 -12.347 0.152 280 HD3 PRO 38 HD2 PRO 38 -2.237 -13.643 -0.718 281 H VAL 39 H VAL 39 -5.669 -11.500 -1.123 282 HA VAL 39 HA VAL 39 -8.549 -11.802 -1.977 283 HB VAL 39 HB VAL 39 -9.218 -10.304 -0.154 284 HG11 VAL 39 HG11 VAL 39 -8.995 -11.951 1.647 285 HG12 VAL 39 HG12 VAL 39 -9.453 -12.696 0.105 286 HG13 VAL 39 HG13 VAL 39 -7.785 -12.839 0.713 287 HG21 VAL 39 HG21 VAL 39 -6.402 -10.706 0.932 288 HG22 VAL 39 HG22 VAL 39 -6.982 -9.178 0.234 289 HG23 VAL 39 HG23 VAL 39 -7.733 -9.820 1.707 290 H ALA 40 H ALA 40 -6.656 -10.851 -3.819 291 HA ALA 40 HA ALA 40 -8.458 -8.699 -4.637 292 HB1 ALA 40 HB1 ALA 40 -5.448 -8.152 -4.657 293 HB2 ALA 40 HB2 ALA 40 -6.730 -7.078 -5.257 294 HB3 ALA 40 HB3 ALA 40 -6.603 -7.420 -3.521 295 H GLU 41 H GLU 41 -8.648 -8.569 -6.874 296 HA GLU 41 HA GLU 41 -7.534 -10.845 -8.427 297 HB2 GLU 41 HB1 GLU 41 -9.974 -10.371 -8.255 298 HB3 GLU 41 HB2 GLU 41 -9.721 -8.831 -9.084 299 HG2 GLU 41 HG1 GLU 41 -8.899 -10.051 -11.082 300 HG3 GLU 41 HG2 GLU 41 -9.167 -11.594 -10.235 301 H ARG 42 H ARG 42 -7.873 -7.263 -8.589 302 HA ARG 42 HA ARG 42 -5.474 -7.094 -10.300 303 HB2 ARG 42 HB1 ARG 42 -7.505 -4.888 -10.307 304 HB3 ARG 42 HB2 ARG 42 -6.251 -5.306 -11.506 305 HG2 ARG 42 HG1 ARG 42 -8.117 -5.863 -12.691 306 HG3 ARG 42 HG2 ARG 42 -7.826 -7.419 -11.911 307 HD2 ARG 42 HD1 ARG 42 -9.439 -6.648 -10.078 308 HD3 ARG 42 HD2 ARG 42 -9.808 -5.238 -11.074 309 HE ARG 42 HE ARG 42 -10.610 -8.063 -11.525 310 HH11 ARG 42 HH12 ARG 42 -10.597 -4.882 -13.038 311 HH12 ARG 42 HH11 ARG 42 -11.863 -5.352 -14.152 312 HH21 ARG 42 HH22 ARG 42 -12.091 -8.590 -12.822 313 HH22 ARG 42 HH21 ARG 42 -12.785 -7.489 -14.010 314 H VAL 43 H VAL 43 -4.350 -5.082 -9.831 315 HA VAL 43 HA VAL 43 -4.611 -3.892 -7.178 316 HB VAL 43 HB VAL 43 -3.515 -6.026 -6.742 317 HG11 VAL 43 HG11 VAL 43 -1.033 -5.198 -8.278 318 HG12 VAL 43 HG12 VAL 43 -1.500 -6.777 -7.610 319 HG13 VAL 43 HG13 VAL 43 -2.317 -6.170 -9.035 320 HG21 VAL 43 HG21 VAL 43 -2.980 -4.074 -5.329 321 HG22 VAL 43 HG22 VAL 43 -1.642 -5.233 -5.417 322 HG23 VAL 43 HG23 VAL 43 -1.566 -3.721 -6.345 323 H GLU 44 H GLU 44 -3.613 -1.891 -7.116 324 HA GLU 44 HA GLU 44 -1.932 -0.958 -9.422 325 HB2 GLU 44 HB1 GLU 44 -4.342 0.376 -8.128 326 HB3 GLU 44 HB2 GLU 44 -3.177 1.223 -9.178 327 HG2 GLU 44 HG1 GLU 44 -3.841 -0.038 -11.088 328 HG3 GLU 44 HG2 GLU 44 -4.773 -1.179 -10.099 329 H LEU 45 H LEU 45 -0.406 0.602 -8.858 330 HA LEU 45 HA LEU 45 0.023 1.088 -5.939 331 HB2 LEU 45 HB1 LEU 45 1.842 -0.049 -7.038 332 HB3 LEU 45 HB2 LEU 45 1.891 1.170 -8.334 333 HG LEU 45 HG LEU 45 2.715 2.844 -6.837 334 HD11 LEU 45 HD11 LEU 45 1.610 2.334 -4.698 335 HD12 LEU 45 HD12 LEU 45 3.359 2.416 -4.498 336 HD13 LEU 45 HD13 LEU 45 2.556 0.841 -4.556 337 HD21 LEU 45 HD21 LEU 45 4.151 0.194 -6.378 338 HD22 LEU 45 HD22 LEU 45 4.886 1.809 -6.264 339 HD23 LEU 45 HD23 LEU 45 4.301 1.207 -7.834 340 H HIS 46 H HIS 46 -0.491 2.981 -5.161 341 HA HIS 46 HA HIS 46 -0.723 5.391 -6.921 342 HB2 HIS 46 HB1 HIS 46 -2.444 4.362 -4.636 343 HB3 HIS 46 HB2 HIS 46 -2.608 5.984 -5.330 344 HD2 HIS 46 HD2 HIS 46 -2.281 3.829 -8.292 345 HE1 HIS 46 HE1 HIS 46 -6.401 3.596 -7.341 346 HE2 HIS 46 HE2 HIS 46 -4.682 3.138 -9.144 347 H GLU 47 H GLU 47 -0.441 7.324 -6.095 348 HA GLU 47 HA GLU 47 0.653 7.656 -3.339 349 HB2 GLU 47 HB1 GLU 47 1.609 9.675 -3.934 350 HB3 GLU 47 HB2 GLU 47 1.948 8.564 -5.295 351 HG2 GLU 47 HG1 GLU 47 0.227 9.580 -6.631 352 HG3 GLU 47 HG2 GLU 47 -0.284 10.625 -5.292 353 H THR 48 H THR 48 -0.213 9.460 -2.115 354 HA THR 48 HA THR 48 -2.869 10.555 -2.914 355 HB THR 48 HB THR 48 -1.919 9.614 -0.164 356 HG1 THR 48 HG1 THR 48 -4.324 9.317 -1.621 357 HG21 THR 48 HG21 THR 48 -4.027 10.568 0.748 358 HG22 THR 48 HG22 THR 48 -4.283 11.441 -0.784 359 HG23 THR 48 HG23 THR 48 -2.884 11.813 0.249 360 H PHE 49 H PHE 49 -2.869 12.780 -2.801 361 HA PHE 49 HA PHE 49 -0.454 14.186 -1.761 362 HB2 PHE 49 HB1 PHE 49 -0.290 15.488 -3.789 363 HB3 PHE 49 HB2 PHE 49 -0.093 13.782 -4.136 364 HD1 PHE 49 HD1 PHE 49 -2.408 16.687 -4.348 365 HD2 PHE 49 HD2 PHE 49 -1.576 12.722 -5.828 366 HE1 PHE 49 HE1 PHE 49 -4.186 16.961 -5.999 367 HE2 PHE 49 HE2 PHE 49 -3.327 13.021 -7.549 368 HZ PHE 49 HZ PHE 49 -4.644 15.124 -7.656 369 H MET 50 H MET 50 -0.789 16.651 -2.033 370 HA MET 50 HA MET 50 -3.602 17.488 -1.653 371 HB2 MET 50 HB1 MET 50 -2.956 19.154 -0.077 372 HB3 MET 50 HB2 MET 50 -2.554 17.556 0.543 373 HG2 MET 50 HG1 MET 50 -0.211 17.937 0.198 374 HG3 MET 50 HG2 MET 50 -0.497 19.389 -0.767 375 HE1 MET 50 HE1 MET 50 -0.338 21.700 0.130 376 HE2 MET 50 HE2 MET 50 -2.090 21.454 0.355 377 HE3 MET 50 HE3 MET 50 -1.119 22.198 1.637 378 H ARG 51 H ARG 51 -4.215 19.364 -2.540 379 HA ARG 51 HA ARG 51 -2.397 20.984 -4.206 380 HB2 ARG 51 HB1 ARG 51 -4.440 19.086 -5.195 381 HB3 ARG 51 HB2 ARG 51 -4.420 20.672 -5.969 382 HG2 ARG 51 HG1 ARG 51 -1.726 19.530 -5.675 383 HG3 ARG 51 HG2 ARG 51 -2.814 18.480 -6.622 384 HD2 ARG 51 HD1 ARG 51 -1.583 19.842 -8.128 385 HD3 ARG 51 HD2 ARG 51 -3.281 20.297 -8.181 386 HE ARG 51 HE ARG 51 -1.000 21.828 -7.032 387 HH11 ARG 51 HH12 ARG 51 -4.462 21.891 -7.947 388 HH12 ARG 51 HH11 ARG 51 -4.624 23.531 -7.347 389 HH21 ARG 51 HH22 ARG 51 -1.361 24.090 -6.588 390 HH22 ARG 51 HH21 ARG 51 -3.025 24.657 -6.629 391 H GLU 52 H GLU 52 -3.012 23.163 -4.171 392 HA GLU 52 HA GLU 52 -5.478 23.941 -2.906 393 HB2 GLU 52 HB1 GLU 52 -2.934 24.793 -2.751 394 HB3 GLU 52 HB2 GLU 52 -3.429 25.811 -4.116 395 HG2 GLU 52 HG1 GLU 52 -3.835 27.028 -2.085 396 HG3 GLU 52 HG2 GLU 52 -5.391 26.553 -2.779 397 H VAL 53 H VAL 53 -7.266 24.469 -4.000 398 HA VAL 53 HA VAL 53 -7.130 25.056 -6.942 399 HB VAL 53 HB VAL 53 -9.595 24.818 -6.902 400 HG11 VAL 53 HG11 VAL 53 -8.071 23.073 -7.737 401 HG12 VAL 53 HG12 VAL 53 -7.947 22.385 -6.108 402 HG13 VAL 53 HG13 VAL 53 -9.500 22.363 -6.968 403 HG21 VAL 53 HG21 VAL 53 -10.725 23.627 -5.156 404 HG22 VAL 53 HG22 VAL 53 -9.236 23.416 -4.231 405 HG23 VAL 53 HG23 VAL 53 -9.959 25.033 -4.405 406 H GLU 54 H GLU 54 -9.721 26.594 -6.120 407 HA GLU 54 HA GLU 54 -9.132 29.182 -6.193 408 HB2 GLU 54 HB1 GLU 54 -11.289 28.166 -4.340 409 HB3 GLU 54 HB2 GLU 54 -11.319 29.627 -5.338 410 HG2 GLU 54 HG1 GLU 54 -11.837 26.763 -6.076 411 HG3 GLU 54 HG2 GLU 54 -12.774 28.211 -6.469 412 H GLY 55 H GLY 55 -7.060 28.405 -4.337 413 HA2 GLY 55 HA3 GLY 55 -6.025 28.969 -2.345 414 HA3 GLY 55 HA2 GLY 55 -7.252 30.231 -2.089 415 H LYS 56 H LYS 56 -8.192 26.944 -2.695 416 HA LYS 56 HA LYS 56 -8.907 26.428 0.128 417 HB2 LYS 56 HB1 LYS 56 -10.458 25.360 -2.231 418 HB3 LYS 56 HB2 LYS 56 -10.918 25.277 -0.538 419 HG2 LYS 56 HG1 LYS 56 -10.857 27.834 -2.174 420 HG3 LYS 56 HG2 LYS 56 -12.276 26.751 -2.034 421 HD2 LYS 56 HD1 LYS 56 -12.746 28.487 -0.583 422 HD3 LYS 56 HD2 LYS 56 -12.172 27.187 0.475 423 HE2 LYS 56 HE1 LYS 56 -11.247 29.321 1.192 424 HE3 LYS 56 HE2 LYS 56 -9.947 28.287 0.563 425 HZ1 LYS 56 HZ1 LYS 56 -10.188 29.565 -1.565 426 HZ2 LYS 56 HZ2 LYS 56 -9.626 30.423 -0.317 427 HZ3 LYS 56 HZ3 LYS 56 -11.198 30.604 -0.810 428 H LYS 57 H LYS 57 -7.883 24.704 0.805 429 HA LYS 57 HA LYS 57 -6.310 23.057 -0.814 430 HB2 LYS 57 HB1 LYS 57 -5.480 22.224 1.253 431 HB3 LYS 57 HB2 LYS 57 -5.800 23.970 1.437 432 HG2 LYS 57 HG1 LYS 57 -6.710 23.322 3.398 433 HG3 LYS 57 HG2 LYS 57 -8.134 22.981 2.419 434 HD2 LYS 57 HD1 LYS 57 -6.803 20.637 2.093 435 HD3 LYS 57 HD2 LYS 57 -6.109 21.146 3.653 436 HE2 LYS 57 HE1 LYS 57 -7.910 19.976 4.462 437 HE3 LYS 57 HE2 LYS 57 -8.725 21.526 4.202 438 HZ1 LYS 57 HZ1 LYS 57 -8.684 19.194 2.365 439 HZ2 LYS 57 HZ2 LYS 57 -9.331 20.639 1.961 440 HZ3 LYS 57 HZ3 LYS 57 -9.997 19.756 3.185 441 H VAL 58 H VAL 58 -6.645 21.173 -1.707 442 HA VAL 58 HA VAL 58 -8.604 19.264 -0.544 443 HB VAL 58 HB VAL 58 -9.782 20.492 -2.342 444 HG11 VAL 58 HG11 VAL 58 -7.685 19.355 -4.242 445 HG12 VAL 58 HG12 VAL 58 -9.187 20.171 -4.721 446 HG13 VAL 58 HG13 VAL 58 -7.946 21.071 -3.845 447 HG21 VAL 58 HG21 VAL 58 -10.735 18.616 -3.487 448 HG22 VAL 58 HG22 VAL 58 -9.304 17.616 -3.196 449 HG23 VAL 58 HG23 VAL 58 -10.339 18.113 -1.836 450 H MET 59 H MET 59 -8.338 17.125 -1.092 451 HA MET 59 HA MET 59 -5.483 16.442 -1.608 452 HB2 MET 59 HB1 MET 59 -7.484 15.297 0.360 453 HB3 MET 59 HB2 MET 59 -5.951 14.482 -0.100 454 HG2 MET 59 HG1 MET 59 -5.379 15.636 1.820 455 HG3 MET 59 HG2 MET 59 -4.779 16.646 0.498 456 HE1 MET 59 HE1 MET 59 -4.649 19.319 1.779 457 HE2 MET 59 HE2 MET 59 -5.171 18.885 3.426 458 HE3 MET 59 HE3 MET 59 -4.179 17.766 2.494 459 H GLY 60 H GLY 60 -4.983 14.790 -2.888 460 HA2 GLY 60 HA3 GLY 60 -7.172 13.562 -4.487 461 HA3 GLY 60 HA2 GLY 60 -5.809 14.385 -5.280 462 H MET 61 H MET 61 -5.915 12.060 -6.193 463 HA MET 61 HA MET 61 -3.770 10.453 -4.993 464 HB2 MET 61 HB1 MET 61 -5.637 9.563 -3.821 465 HB3 MET 61 HB2 MET 61 -6.668 9.626 -5.264 466 HG2 MET 61 HG1 MET 61 -5.192 7.849 -6.259 467 HG3 MET 61 HG2 MET 61 -4.421 7.690 -4.685 468 HE1 MET 61 HE1 MET 61 -8.050 6.834 -2.759 469 HE2 MET 61 HE2 MET 61 -6.620 7.872 -2.572 470 HE3 MET 61 HE3 MET 61 -7.988 8.410 -3.585 471 H ARG 62 H ARG 62 -2.747 9.171 -6.541 472 HA ARG 62 HA ARG 62 -3.861 8.852 -9.207 473 HB2 ARG 62 HB1 ARG 62 -2.205 10.065 -10.460 474 HB3 ARG 62 HB2 ARG 62 -3.002 11.183 -9.329 475 HG2 ARG 62 HG1 ARG 62 -1.086 11.102 -7.836 476 HG3 ARG 62 HG2 ARG 62 -0.270 9.926 -8.892 477 HD2 ARG 62 HD1 ARG 62 -0.180 11.589 -10.707 478 HD3 ARG 62 HD2 ARG 62 -1.021 12.768 -9.672 479 HE ARG 62 HE ARG 62 0.928 12.417 -8.058 480 HH11 ARG 62 HH12 ARG 62 1.558 12.420 -11.541 481 HH12 ARG 62 HH11 ARG 62 3.280 12.489 -11.270 482 HH21 ARG 62 HH22 ARG 62 3.006 12.150 -7.827 483 HH22 ARG 62 HH21 ARG 62 4.114 12.379 -9.146 484 HA PRO 63 HA PRO 63 -1.128 5.385 -8.916 485 HB2 PRO 63 HB1 PRO 63 -0.817 4.521 -11.463 486 HB3 PRO 63 HB2 PRO 63 -2.380 4.397 -10.601 487 HG2 PRO 63 HG1 PRO 63 -1.489 6.576 -12.516 488 HG3 PRO 63 HG2 PRO 63 -3.034 5.651 -12.531 489 HD2 PRO 63 HD1 PRO 63 -2.840 8.128 -11.379 490 HD3 PRO 63 HD2 PRO 63 -3.865 6.844 -10.670 491 H VAL 64 H VAL 64 1.000 4.723 -9.161 492 HA VAL 64 HA VAL 64 2.925 6.541 -10.510 493 HB VAL 64 HB VAL 64 4.395 6.622 -8.555 494 HG11 VAL 64 HG11 VAL 64 3.266 8.293 -7.292 495 HG12 VAL 64 HG12 VAL 64 2.775 8.455 -8.981 496 HG13 VAL 64 HG13 VAL 64 1.668 7.708 -7.802 497 HG21 VAL 64 HG21 VAL 64 3.829 4.655 -7.317 498 HG22 VAL 64 HG22 VAL 64 3.572 6.054 -6.285 499 HG23 VAL 64 HG23 VAL 64 2.170 5.244 -7.009 500 HA PRO 65 HA PRO 65 4.493 2.777 -11.832 501 HB2 PRO 65 HB1 PRO 65 7.009 3.272 -12.645 502 HB3 PRO 65 HB2 PRO 65 5.611 4.168 -13.316 503 HG2 PRO 65 HG1 PRO 65 7.488 5.045 -11.106 504 HG3 PRO 65 HG2 PRO 65 6.972 5.978 -12.556 505 HD2 PRO 65 HD1 PRO 65 5.771 6.233 -10.087 506 HD3 PRO 65 HD2 PRO 65 4.872 6.423 -11.611 507 H PHE 66 H PHE 66 6.314 4.012 -9.097 508 HA PHE 66 HA PHE 66 6.568 1.514 -7.816 509 HB2 PHE 66 HB1 PHE 66 8.929 1.062 -7.908 510 HB3 PHE 66 HB2 PHE 66 8.250 0.975 -9.525 511 HD1 PHE 66 HD1 PHE 66 8.763 2.692 -11.192 512 HD2 PHE 66 HD2 PHE 66 10.493 2.799 -7.261 513 HE1 PHE 66 HE1 PHE 66 10.424 4.422 -11.953 514 HE2 PHE 66 HE2 PHE 66 12.034 4.578 -7.942 515 HZ PHE 66 HZ PHE 66 12.052 5.372 -10.324 516 H LEU 67 H LEU 67 7.911 1.602 -5.901 517 HA LEU 67 HA LEU 67 8.659 4.335 -4.926 518 HB2 LEU 67 HB1 LEU 67 7.999 1.865 -3.259 519 HB3 LEU 67 HB2 LEU 67 8.389 3.467 -2.636 520 HG LEU 67 HG LEU 67 5.845 2.496 -3.982 521 HD11 LEU 67 HD11 LEU 67 4.854 3.299 -1.858 522 HD12 LEU 67 HD12 LEU 67 6.456 3.809 -1.292 523 HD13 LEU 67 HD13 LEU 67 6.122 2.085 -1.571 524 HD21 LEU 67 HD21 LEU 67 6.285 4.751 -4.918 525 HD22 LEU 67 HD22 LEU 67 6.476 5.396 -3.271 526 HD23 LEU 67 HD23 LEU 67 4.916 4.730 -3.820 527 H GLU 68 H GLU 68 10.620 4.375 -3.652 528 HA GLU 68 HA GLU 68 12.554 2.165 -4.249 529 HB2 GLU 68 HB1 GLU 68 13.056 4.354 -5.371 530 HB3 GLU 68 HB2 GLU 68 13.065 5.133 -3.768 531 HG2 GLU 68 HG1 GLU 68 15.320 4.796 -4.178 532 HG3 GLU 68 HG2 GLU 68 14.940 3.409 -3.173 533 H VAL 69 H VAL 69 13.747 1.402 -2.445 534 HA VAL 69 HA VAL 69 13.584 3.011 -0.009 535 HB VAL 69 HB VAL 69 13.018 -0.005 -0.046 536 HG11 VAL 69 HG11 VAL 69 14.259 0.461 1.987 537 HG12 VAL 69 HG12 VAL 69 13.194 1.827 2.376 538 HG13 VAL 69 HG13 VAL 69 12.579 0.163 2.396 539 HG21 VAL 69 HG21 VAL 69 11.179 2.321 0.624 540 HG22 VAL 69 HG22 VAL 69 11.000 1.138 -0.691 541 HG23 VAL 69 HG23 VAL 69 10.808 0.632 0.987 542 HA PRO 70 HA PRO 70 17.933 2.122 -0.105 543 HB2 PRO 70 HB1 PRO 70 18.762 3.290 2.222 544 HB3 PRO 70 HB2 PRO 70 18.203 4.237 0.811 545 HG2 PRO 70 HG1 PRO 70 16.580 3.395 3.234 546 HG3 PRO 70 HG2 PRO 70 16.735 5.045 2.527 547 HD2 PRO 70 HD1 PRO 70 14.638 3.432 1.906 548 HD3 PRO 70 HD2 PRO 70 15.404 4.455 0.657 549 HA PRO 71 HA PRO 71 18.763 -1.513 2.433 550 HB2 PRO 71 HB1 PRO 71 21.383 -1.142 3.203 551 HB3 PRO 71 HB2 PRO 71 20.815 -1.756 1.618 552 HG2 PRO 71 HG1 PRO 71 21.703 1.028 2.326 553 HG3 PRO 71 HG2 PRO 71 22.063 0.059 0.842 554 HD2 PRO 71 HD1 PRO 71 20.126 1.991 0.904 555 HD3 PRO 71 HD2 PRO 71 19.969 0.501 -0.071 556 H LYS 72 H LYS 72 18.661 -2.166 4.523 557 HA LYS 72 HA LYS 72 18.213 -2.116 6.727 558 HB2 LYS 72 HB1 LYS 72 19.918 0.369 6.921 559 HB3 LYS 72 HB2 LYS 72 19.587 -0.821 8.194 560 HG2 LYS 72 HG1 LYS 72 21.199 -1.288 5.657 561 HG3 LYS 72 HG2 LYS 72 21.841 -1.045 7.294 562 HD2 LYS 72 HD1 LYS 72 20.931 -3.174 8.028 563 HD3 LYS 72 HD2 LYS 72 20.028 -3.368 6.498 564 HE2 LYS 72 HE1 LYS 72 22.147 -3.395 5.247 565 HE3 LYS 72 HE2 LYS 72 23.070 -3.296 6.745 566 HZ1 LYS 72 HZ1 LYS 72 21.192 -5.486 6.047 567 HZ2 LYS 72 HZ2 LYS 72 22.192 -5.448 7.359 568 HZ3 LYS 72 HZ3 LYS 72 22.817 -5.544 5.842 569 H GLY 73 H GLY 73 17.039 0.255 4.819 570 HA2 GLY 73 HA3 GLY 73 15.630 1.880 6.795 571 HA3 GLY 73 HA2 GLY 73 15.462 1.962 5.027 572 H ARG 74 H ARG 74 13.626 1.702 7.557 573 HA ARG 74 HA ARG 74 11.703 -0.248 6.376 574 HB2 ARG 74 HB1 ARG 74 10.381 -0.029 8.379 575 HB3 ARG 74 HB2 ARG 74 12.049 -0.543 8.757 576 HG2 ARG 74 HG1 ARG 74 11.764 0.917 10.429 577 HG3 ARG 74 HG2 ARG 74 12.336 2.080 9.251 578 HD2 ARG 74 HD1 ARG 74 10.183 2.983 8.912 579 HD3 ARG 74 HD2 ARG 74 9.440 1.603 9.744 580 HE ARG 74 HE ARG 74 11.190 2.736 11.591 581 HH11 ARG 74 HH12 ARG 74 8.180 3.821 10.024 582 HH12 ARG 74 HH11 ARG 74 7.697 4.694 11.422 583 HH21 ARG 74 HH22 ARG 74 10.396 3.738 13.355 584 HH22 ARG 74 HH21 ARG 74 8.956 4.730 13.254 585 H VAL 75 H VAL 75 9.867 0.465 5.417 586 HA VAL 75 HA VAL 75 9.093 3.352 5.533 587 HB VAL 75 HB VAL 75 9.652 1.747 2.981 588 HG11 VAL 75 HG11 VAL 75 8.950 3.823 1.760 589 HG12 VAL 75 HG12 VAL 75 7.613 3.066 2.620 590 HG13 VAL 75 HG13 VAL 75 8.391 4.514 3.301 591 HG21 VAL 75 HG21 VAL 75 11.703 2.760 3.909 592 HG22 VAL 75 HG22 VAL 75 11.216 3.667 2.474 593 HG23 VAL 75 HG23 VAL 75 10.884 4.327 4.084 594 H GLU 76 H GLU 76 6.858 3.455 5.803 595 HA GLU 76 HA GLU 76 5.288 1.102 4.857 596 HB2 GLU 76 HB1 GLU 76 3.971 3.105 6.574 597 HB3 GLU 76 HB2 GLU 76 3.819 1.322 6.460 598 HG2 GLU 76 HG1 GLU 76 4.610 1.862 8.640 599 HG3 GLU 76 HG2 GLU 76 5.931 1.099 7.741 600 H LEU 77 H LEU 77 3.773 1.263 3.439 601 HA LEU 77 HA LEU 77 3.200 3.715 1.918 602 HB2 LEU 77 HB1 LEU 77 2.257 0.826 1.844 603 HB3 LEU 77 HB2 LEU 77 1.507 2.135 0.894 604 HG LEU 77 HG LEU 77 4.127 2.503 0.255 605 HD11 LEU 77 HD11 LEU 77 5.251 0.446 -0.147 606 HD12 LEU 77 HD12 LEU 77 3.826 -0.505 0.274 607 HD13 LEU 77 HD13 LEU 77 4.722 0.370 1.537 608 HD21 LEU 77 HD21 LEU 77 2.013 0.788 -1.079 609 HD22 LEU 77 HD22 LEU 77 3.547 1.213 -1.871 610 HD23 LEU 77 HD23 LEU 77 2.410 2.482 -1.400 611 H LYS 78 H LYS 78 2.657 4.931 3.730 612 HA LYS 78 HA LYS 78 0.511 4.225 5.495 613 HB2 LYS 78 HB1 LYS 78 0.931 6.564 6.371 614 HB3 LYS 78 HB2 LYS 78 2.338 5.470 6.293 615 HG2 LYS 78 HG1 LYS 78 2.997 6.619 4.142 616 HG3 LYS 78 HG2 LYS 78 1.676 7.775 4.373 617 HD2 LYS 78 HD1 LYS 78 3.920 8.617 5.085 618 HD3 LYS 78 HD2 LYS 78 2.701 8.642 6.381 619 HE2 LYS 78 HE1 LYS 78 4.918 7.917 7.188 620 HE3 LYS 78 HE2 LYS 78 3.682 6.657 7.399 621 HZ1 LYS 78 HZ1 LYS 78 5.824 6.693 5.346 622 HZ2 LYS 78 HZ2 LYS 78 4.618 5.582 5.373 623 HZ3 LYS 78 HZ3 LYS 78 5.643 5.654 6.610 624 HA PRO 79 HA PRO 79 -3.047 6.220 3.569 625 HB2 PRO 79 HB1 PRO 79 -4.467 7.119 5.719 626 HB3 PRO 79 HB2 PRO 79 -4.363 5.385 5.291 627 HG2 PRO 79 HG1 PRO 79 -2.667 6.892 7.302 628 HG3 PRO 79 HG2 PRO 79 -3.572 5.351 7.527 629 HD2 PRO 79 HD1 PRO 79 -0.915 5.350 6.945 630 HD3 PRO 79 HD2 PRO 79 -2.016 4.150 6.207 631 H GLY 80 H GLY 80 -0.811 7.942 5.671 632 HA2 GLY 80 HA3 GLY 80 -1.618 10.581 4.674 633 HA3 GLY 80 HA2 GLY 80 -0.181 10.187 5.643 634 H GLY 81 H GLY 81 -1.098 8.581 2.585 635 HA2 GLY 81 HA3 GLY 81 -0.017 9.963 0.570 636 HA3 GLY 81 HA2 GLY 81 1.458 9.355 1.356 637 H TYR 82 H TYR 82 2.273 7.573 0.520 638 HA TYR 82 HA TYR 82 1.006 6.446 -1.772 639 HB2 TYR 82 HB1 TYR 82 3.507 5.656 -0.256 640 HB3 TYR 82 HB2 TYR 82 3.012 4.937 -1.804 641 HD1 TYR 82 HD1 TYR 82 3.054 6.175 -3.865 642 HD2 TYR 82 HD2 TYR 82 4.404 7.962 -0.182 643 HE1 TYR 82 HE1 TYR 82 4.180 7.952 -5.144 644 HE2 TYR 82 HE2 TYR 82 5.476 9.803 -1.474 645 HH TYR 82 HH TYR 82 5.245 9.980 -5.036 646 H HIS 83 H HIS 83 0.274 4.441 -2.262 647 HA HIS 83 HA HIS 83 -0.133 2.346 -0.278 648 HB2 HIS 83 HB1 HIS 83 -2.484 2.570 0.060 649 HB3 HIS 83 HB2 HIS 83 -1.638 4.035 0.595 650 HD1 HIS 83 HD1 HIS 83 -2.047 6.274 -0.910 651 HD2 HIS 83 HD2 HIS 83 -4.128 2.769 -2.022 652 HE1 HIS 83 HE1 HIS 83 -3.629 6.931 -2.802 653 H PHE 84 H PHE 84 -1.733 0.641 -1.102 654 HA PHE 84 HA PHE 84 -1.609 0.503 -4.091 655 HB2 PHE 84 HB1 PHE 84 -1.744 -1.663 -1.982 656 HB3 PHE 84 HB2 PHE 84 -2.063 -1.953 -3.708 657 HD1 PHE 84 HD1 PHE 84 -0.292 -1.670 -5.401 658 HD2 PHE 84 HD2 PHE 84 0.524 -1.305 -1.185 659 HE1 PHE 84 HE1 PHE 84 2.137 -1.877 -5.847 660 HE2 PHE 84 HE2 PHE 84 2.950 -1.498 -1.646 661 HZ PHE 84 HZ PHE 84 3.763 -1.789 -3.970 662 H MET 85 H MET 85 -3.538 0.422 -5.171 663 HA MET 85 HA MET 85 -6.185 0.304 -3.801 664 HB2 MET 85 HB1 MET 85 -5.324 1.636 -6.096 665 HB3 MET 85 HB2 MET 85 -6.275 0.260 -6.699 666 HG2 MET 85 HG1 MET 85 -7.738 2.157 -6.357 667 HG3 MET 85 HG2 MET 85 -8.130 0.876 -5.197 668 HE1 MET 85 HE1 MET 85 -9.103 3.790 -2.920 669 HE2 MET 85 HE2 MET 85 -9.520 3.460 -4.622 670 HE3 MET 85 HE3 MET 85 -9.438 2.125 -3.445 671 H LEU 86 H LEU 86 -7.271 -1.587 -3.656 672 HA LEU 86 HA LEU 86 -6.294 -3.970 -5.202 673 HB2 LEU 86 HB1 LEU 86 -7.263 -3.624 -2.355 674 HB3 LEU 86 HB2 LEU 86 -7.412 -5.185 -3.210 675 HG LEU 86 HG LEU 86 -5.011 -5.392 -3.377 676 HD11 LEU 86 HD11 LEU 86 -4.198 -3.109 -3.532 677 HD12 LEU 86 HD12 LEU 86 -3.497 -3.853 -2.101 678 HD13 LEU 86 HD13 LEU 86 -4.853 -2.716 -1.925 679 HD21 LEU 86 HD21 LEU 86 -4.568 -5.650 -0.937 680 HD22 LEU 86 HD22 LEU 86 -6.196 -6.209 -1.367 681 HD23 LEU 86 HD23 LEU 86 -5.983 -4.632 -0.587 682 H LEU 87 H LEU 87 -7.785 -5.001 -6.391 683 HA LEU 87 HA LEU 87 -10.659 -4.164 -6.194 684 HB2 LEU 87 HB1 LEU 87 -8.840 -4.395 -8.634 685 HB3 LEU 87 HB2 LEU 87 -10.572 -4.034 -8.704 686 HG LEU 87 HG LEU 87 -8.471 -2.259 -7.354 687 HD11 LEU 87 HD11 LEU 87 -8.766 -0.766 -9.246 688 HD12 LEU 87 HD12 LEU 87 -9.799 -1.964 -10.067 689 HD13 LEU 87 HD13 LEU 87 -8.078 -2.318 -9.744 690 HD21 LEU 87 HD21 LEU 87 -11.408 -1.804 -8.026 691 HD22 LEU 87 HD22 LEU 87 -10.290 -0.564 -7.404 692 HD23 LEU 87 HD23 LEU 87 -10.701 -1.959 -6.404 693 H GLY 88 H GLY 88 -12.099 -5.753 -6.317 694 HA2 GLY 88 HA3 GLY 88 -13.107 -7.736 -6.969 695 HA3 GLY 88 HA2 GLY 88 -11.629 -8.204 -7.842 696 H LEU 89 H LEU 89 -11.754 -7.317 -4.395 697 HA LEU 89 HA LEU 89 -10.356 -9.457 -3.355 698 HB2 LEU 89 HB1 LEU 89 -11.539 -8.990 -1.191 699 HB3 LEU 89 HB2 LEU 89 -10.588 -7.703 -1.961 700 HG LEU 89 HG LEU 89 -12.664 -6.598 -2.667 701 HD11 LEU 89 HD11 LEU 89 -14.253 -8.376 -2.949 702 HD12 LEU 89 HD12 LEU 89 -14.848 -7.361 -1.634 703 HD13 LEU 89 HD13 LEU 89 -14.059 -8.906 -1.264 704 HD21 LEU 89 HD21 LEU 89 -12.512 -7.292 0.275 705 HD22 LEU 89 HD22 LEU 89 -13.361 -5.883 -0.415 706 HD23 LEU 89 HD23 LEU 89 -11.600 -6.013 -0.557 707 H LYS 90 H LYS 90 -10.647 -11.118 -2.101 708 HA LYS 90 HA LYS 90 -12.754 -12.947 -3.192 709 HB2 LYS 90 HB1 LYS 90 -9.975 -13.601 -2.182 710 HB3 LYS 90 HB2 LYS 90 -11.118 -14.730 -2.948 711 HG2 LYS 90 HG1 LYS 90 -9.689 -12.377 -4.242 712 HG3 LYS 90 HG2 LYS 90 -9.465 -14.109 -4.582 713 HD2 LYS 90 HD1 LYS 90 -11.767 -14.229 -5.475 714 HD3 LYS 90 HD2 LYS 90 -11.977 -12.489 -5.127 715 HE2 LYS 90 HE1 LYS 90 -9.973 -12.094 -6.660 716 HE3 LYS 90 HE2 LYS 90 -10.204 -13.750 -7.224 717 HZ1 LYS 90 HZ1 LYS 90 -12.195 -11.547 -7.264 718 HZ2 LYS 90 HZ2 LYS 90 -12.536 -13.080 -7.770 719 HZ3 LYS 90 HZ3 LYS 90 -11.491 -12.142 -8.591 720 H ARG 91 H ARG 91 -12.473 -11.317 -0.470 721 HA ARG 91 HA ARG 91 -14.378 -13.178 0.757 722 HB2 ARG 91 HB1 ARG 91 -13.422 -13.180 2.930 723 HB3 ARG 91 HB2 ARG 91 -12.135 -13.620 1.776 724 HG2 ARG 91 HG1 ARG 91 -11.348 -11.228 1.894 725 HG3 ARG 91 HG2 ARG 91 -12.488 -10.956 3.218 726 HD2 ARG 91 HD1 ARG 91 -10.271 -13.040 3.245 727 HD3 ARG 91 HD2 ARG 91 -10.158 -11.407 3.960 728 HE ARG 91 HE ARG 91 -11.641 -12.020 5.682 729 HH11 ARG 91 HH12 ARG 91 -10.871 -14.893 3.734 730 HH12 ARG 91 HH11 ARG 91 -11.107 -15.937 5.111 731 HH21 ARG 91 HH22 ARG 91 -11.871 -13.284 7.253 732 HH22 ARG 91 HH21 ARG 91 -11.721 -15.037 7.153 733 HA PRO 92 HA PRO 92 -16.180 -9.109 1.968 734 HB2 PRO 92 HB1 PRO 92 -18.075 -9.939 3.728 735 HB3 PRO 92 HB2 PRO 92 -18.283 -10.133 1.958 736 HG2 PRO 92 HG1 PRO 92 -17.326 -12.197 3.960 737 HG3 PRO 92 HG2 PRO 92 -18.564 -12.396 2.670 738 HD2 PRO 92 HD1 PRO 92 -15.925 -13.165 2.380 739 HD3 PRO 92 HD2 PRO 92 -16.914 -12.587 1.010 740 H LEU 93 H LEU 93 -15.859 -7.829 3.978 741 HA LEU 93 HA LEU 93 -13.873 -9.006 5.771 742 HB2 LEU 93 HB1 LEU 93 -12.282 -7.365 5.175 743 HB3 LEU 93 HB2 LEU 93 -12.706 -8.375 3.786 744 HG LEU 93 HG LEU 93 -13.614 -5.499 4.263 745 HD11 LEU 93 HD11 LEU 93 -11.525 -6.687 2.382 746 HD12 LEU 93 HD12 LEU 93 -11.193 -5.713 3.821 747 HD13 LEU 93 HD13 LEU 93 -12.015 -4.982 2.434 748 HD21 LEU 93 HD21 LEU 93 -14.072 -7.403 1.923 749 HD22 LEU 93 HD22 LEU 93 -14.216 -5.636 1.782 750 HD23 LEU 93 HD23 LEU 93 -15.290 -6.513 2.856 751 H LYS 94 H LYS 94 -13.800 -8.186 7.644 752 HA LYS 94 HA LYS 94 -15.579 -5.895 8.408 753 HB2 LYS 94 HB1 LYS 94 -14.295 -7.606 10.474 754 HB3 LYS 94 HB2 LYS 94 -15.853 -6.790 10.520 755 HG2 LYS 94 HG1 LYS 94 -15.111 -9.448 9.316 756 HG3 LYS 94 HG2 LYS 94 -16.261 -9.104 10.623 757 HD2 LYS 94 HD1 LYS 94 -17.963 -8.603 9.166 758 HD3 LYS 94 HD2 LYS 94 -16.907 -8.006 7.889 759 HE2 LYS 94 HE1 LYS 94 -17.176 -10.933 8.718 760 HE3 LYS 94 HE2 LYS 94 -18.002 -10.193 7.332 761 HZ1 LYS 94 HZ1 LYS 94 -15.033 -10.271 7.620 762 HZ2 LYS 94 HZ2 LYS 94 -15.860 -9.843 6.296 763 HZ3 LYS 94 HZ3 LYS 94 -15.859 -11.394 6.789 764 H ALA 95 H ALA 95 -14.792 -4.736 10.373 765 HA ALA 95 HA ALA 95 -11.910 -4.100 10.426 766 HB1 ALA 95 HB1 ALA 95 -13.475 -2.234 10.932 767 HB2 ALA 95 HB2 ALA 95 -14.201 -3.203 12.239 768 HB3 ALA 95 HB3 ALA 95 -12.511 -2.677 12.356 769 H GLY 96 H GLY 96 -10.614 -5.139 11.768 770 HA2 GLY 96 HA3 GLY 96 -9.970 -6.467 13.640 771 HA3 GLY 96 HA2 GLY 96 -11.627 -7.104 13.747 772 H GLU 97 H GLU 97 -10.037 -7.117 10.604 773 HA GLU 97 HA GLU 97 -9.400 -10.032 10.898 774 HB2 GLU 97 HB1 GLU 97 -10.201 -8.517 8.387 775 HB3 GLU 97 HB2 GLU 97 -9.578 -10.191 8.421 776 HG2 GLU 97 HG1 GLU 97 -11.408 -10.790 10.004 777 HG3 GLU 97 HG2 GLU 97 -12.118 -9.194 9.760 778 H GLU 98 H GLU 98 -7.725 -10.380 8.764 779 HA GLU 98 HA GLU 98 -5.271 -8.873 9.153 780 HB2 GLU 98 HB1 GLU 98 -5.924 -11.526 10.395 781 HB3 GLU 98 HB2 GLU 98 -4.365 -11.430 9.549 782 HG2 GLU 98 HG1 GLU 98 -5.115 -9.340 11.594 783 HG3 GLU 98 HG2 GLU 98 -4.480 -10.925 12.100 784 H VAL 99 H VAL 99 -4.312 -8.919 7.267 785 HA VAL 99 HA VAL 99 -4.993 -11.005 5.211 786 HB VAL 99 HB VAL 99 -5.363 -8.000 4.991 787 HG11 VAL 99 HG11 VAL 99 -5.838 -8.350 2.558 788 HG12 VAL 99 HG12 VAL 99 -4.142 -8.557 2.975 789 HG13 VAL 99 HG13 VAL 99 -5.148 -9.989 2.701 790 HG21 VAL 99 HG21 VAL 99 -7.600 -8.650 4.149 791 HG22 VAL 99 HG22 VAL 99 -7.179 -10.367 4.304 792 HG23 VAL 99 HG23 VAL 99 -7.337 -9.352 5.744 793 H GLU 100 H GLU 100 -3.397 -11.738 4.087 794 HA GLU 100 HA GLU 100 -0.661 -10.851 4.472 795 HB2 GLU 100 HB1 GLU 100 -1.839 -12.810 2.482 796 HB3 GLU 100 HB2 GLU 100 -0.115 -12.613 2.866 797 HG2 GLU 100 HG1 GLU 100 -0.582 -13.435 5.175 798 HG3 GLU 100 HG2 GLU 100 -2.276 -13.711 4.716 799 H LEU 101 H LEU 101 0.638 -9.701 3.014 800 HA LEU 101 HA LEU 101 -0.402 -9.211 0.285 801 HB2 LEU 101 HB1 LEU 101 0.463 -7.110 2.247 802 HB3 LEU 101 HB2 LEU 101 1.042 -6.968 0.557 803 HG LEU 101 HG LEU 101 -1.505 -7.376 -0.024 804 HD11 LEU 101 HD11 LEU 101 -3.074 -6.429 1.533 805 HD12 LEU 101 HD12 LEU 101 -1.776 -5.991 2.669 806 HD13 LEU 101 HD13 LEU 101 -2.174 -7.688 2.394 807 HD21 LEU 101 HD21 LEU 101 -1.902 -4.998 -0.151 808 HD22 LEU 101 HD22 LEU 101 -0.234 -5.362 -0.620 809 HD23 LEU 101 HD23 LEU 101 -0.584 -4.685 0.993 810 H ASP 102 H ASP 102 0.899 -9.458 -1.280 811 HA ASP 102 HA ASP 102 3.676 -10.457 -0.917 812 HB2 ASP 102 HB1 ASP 102 1.848 -10.156 -3.320 813 HB3 ASP 102 HB2 ASP 102 3.364 -11.018 -3.353 814 H LEU 103 H LEU 103 5.456 -9.053 -1.384 815 HA LEU 103 HA LEU 103 4.887 -6.442 -2.677 816 HB2 LEU 103 HB1 LEU 103 7.034 -7.557 -0.860 817 HB3 LEU 103 HB2 LEU 103 7.288 -6.074 -1.825 818 HG LEU 103 HG LEU 103 5.207 -5.142 -0.762 819 HD11 LEU 103 HD11 LEU 103 5.476 -7.557 1.054 820 HD12 LEU 103 HD12 LEU 103 4.032 -7.003 0.165 821 HD13 LEU 103 HD13 LEU 103 4.639 -6.059 1.516 822 HD21 LEU 103 HD21 LEU 103 7.517 -5.853 1.090 823 HD22 LEU 103 HD22 LEU 103 6.389 -4.506 1.323 824 HD23 LEU 103 HD23 LEU 103 7.485 -4.498 -0.064 825 H LEU 104 H LEU 104 5.311 -6.217 -4.763 826 HA LEU 104 HA LEU 104 7.053 -8.182 -6.147 827 HB2 LEU 104 HB1 LEU 104 5.216 -6.014 -7.214 828 HB3 LEU 104 HB2 LEU 104 6.065 -7.193 -8.202 829 HG LEU 104 HG LEU 104 3.804 -7.699 -6.215 830 HD11 LEU 104 HD11 LEU 104 2.552 -8.433 -8.202 831 HD12 LEU 104 HD12 LEU 104 3.947 -8.050 -9.237 832 HD13 LEU 104 HD13 LEU 104 3.089 -6.760 -8.367 833 HD21 LEU 104 HD21 LEU 104 5.308 -9.631 -6.081 834 HD22 LEU 104 HD22 LEU 104 5.371 -9.746 -7.854 835 HD23 LEU 104 HD23 LEU 104 3.859 -10.078 -6.980 836 H PHE 105 H PHE 105 9.113 -7.692 -5.844 837 HA PHE 105 HA PHE 105 10.013 -4.881 -5.887 838 HB2 PHE 105 HB1 PHE 105 11.449 -7.474 -5.281 839 HB3 PHE 105 HB2 PHE 105 12.172 -5.857 -5.182 840 HD1 PHE 105 HD1 PHE 105 10.784 -4.117 -3.683 841 HD2 PHE 105 HD2 PHE 105 10.554 -8.422 -3.274 842 HE1 PHE 105 HE1 PHE 105 10.115 -3.877 -1.315 843 HE2 PHE 105 HE2 PHE 105 9.956 -8.146 -0.934 844 HZ PHE 105 HZ PHE 105 9.751 -5.910 0.083 845 H ALA 106 H ALA 106 11.401 -4.025 -7.360 846 HA ALA 106 HA ALA 106 11.116 -4.638 -10.030 847 HB1 ALA 106 HB1 ALA 106 11.972 -2.470 -9.080 848 HB2 ALA 106 HB2 ALA 106 13.536 -3.258 -8.786 849 HB3 ALA 106 HB3 ALA 106 12.938 -3.058 -10.443 850 H GLY 107 H GLY 107 11.813 -6.178 -11.361 851 HA2 GLY 107 HA3 GLY 107 13.225 -7.621 -12.454 852 HA3 GLY 107 HA2 GLY 107 14.557 -7.036 -11.431 853 H GLY 108 H GLY 108 11.534 -8.767 -10.476 854 HA2 GLY 108 HA3 GLY 108 11.208 -11.032 -10.371 855 HA3 GLY 108 HA2 GLY 108 12.939 -11.275 -10.696 856 H LYS 109 H LYS 109 11.903 -9.446 -7.836 857 HA LYS 109 HA LYS 109 12.316 -11.886 -6.147 858 HB2 LYS 109 HB1 LYS 109 13.118 -9.021 -5.520 859 HB3 LYS 109 HB2 LYS 109 13.046 -10.341 -4.316 860 HG2 LYS 109 HG1 LYS 109 15.076 -11.004 -4.860 861 HG3 LYS 109 HG2 LYS 109 14.608 -11.275 -6.538 862 HD2 LYS 109 HD1 LYS 109 15.616 -8.648 -5.353 863 HD3 LYS 109 HD2 LYS 109 16.542 -9.780 -6.375 864 HE2 LYS 109 HE1 LYS 109 14.869 -9.442 -8.194 865 HE3 LYS 109 HE2 LYS 109 14.012 -8.266 -7.181 866 HZ1 LYS 109 HZ1 LYS 109 16.697 -8.021 -8.371 867 HZ2 LYS 109 HZ2 LYS 109 16.147 -6.984 -7.194 868 HZ3 LYS 109 HZ3 LYS 109 15.367 -7.080 -8.625 869 H VAL 110 H VAL 110 10.885 -12.202 -4.466 870 HA VAL 110 HA VAL 110 8.746 -10.257 -4.039 871 HB VAL 110 HB VAL 110 8.013 -11.897 -5.756 872 HG11 VAL 110 HG11 VAL 110 9.227 -13.895 -4.961 873 HG12 VAL 110 HG12 VAL 110 8.141 -13.998 -3.559 874 HG13 VAL 110 HG13 VAL 110 7.502 -14.210 -5.199 875 HG21 VAL 110 HG21 VAL 110 6.387 -12.186 -3.188 876 HG22 VAL 110 HG22 VAL 110 6.339 -10.777 -4.268 877 HG23 VAL 110 HG23 VAL 110 5.808 -12.359 -4.854 878 H LEU 111 H LEU 111 7.687 -10.423 -2.033 879 HA LEU 111 HA LEU 111 8.558 -12.351 0.005 880 HB2 LEU 111 HB1 LEU 111 10.247 -10.404 -0.179 881 HB3 LEU 111 HB2 LEU 111 8.920 -9.369 0.415 882 HG LEU 111 HG LEU 111 8.888 -10.610 2.536 883 HD11 LEU 111 HD11 LEU 111 11.265 -12.114 1.332 884 HD12 LEU 111 HD12 LEU 111 9.711 -12.823 1.833 885 HD13 LEU 111 HD13 LEU 111 10.805 -12.152 3.049 886 HD21 LEU 111 HD21 LEU 111 11.075 -9.697 3.325 887 HD22 LEU 111 HD22 LEU 111 10.265 -8.574 2.215 888 HD23 LEU 111 HD23 LEU 111 11.618 -9.557 1.632 889 H LYS 112 H LYS 112 6.926 -12.569 1.612 890 HA LYS 112 HA LYS 112 4.475 -10.959 1.061 891 HB2 LYS 112 HB1 LYS 112 4.523 -13.394 0.463 892 HB3 LYS 112 HB2 LYS 112 4.607 -13.769 2.186 893 HG2 LYS 112 HG1 LYS 112 2.464 -12.579 2.546 894 HG3 LYS 112 HG2 LYS 112 2.427 -12.117 0.822 895 HD2 LYS 112 HD1 LYS 112 0.921 -13.940 1.097 896 HD3 LYS 112 HD2 LYS 112 2.331 -14.552 0.222 897 HE2 LYS 112 HE1 LYS 112 3.183 -15.610 2.250 898 HE3 LYS 112 HE2 LYS 112 1.935 -14.780 3.237 899 HZ1 LYS 112 HZ1 LYS 112 1.439 -16.932 1.270 900 HZ2 LYS 112 HZ2 LYS 112 0.271 -15.989 1.978 901 HZ3 LYS 112 HZ3 LYS 112 1.135 -16.898 2.929 902 H VAL 113 H VAL 113 3.909 -9.562 2.521 903 HA VAL 113 HA VAL 113 4.646 -9.806 5.416 904 HB VAL 113 HB VAL 113 3.788 -7.512 5.652 905 HG11 VAL 113 HG11 VAL 113 5.634 -6.381 4.500 906 HG12 VAL 113 HG12 VAL 113 6.186 -7.926 5.162 907 HG13 VAL 113 HG13 VAL 113 5.859 -7.770 3.424 908 HG21 VAL 113 HG21 VAL 113 3.360 -7.506 2.664 909 HG22 VAL 113 HG22 VAL 113 2.102 -7.473 3.897 910 HG23 VAL 113 HG23 VAL 113 3.228 -6.114 3.753 911 H VAL 114 H VAL 114 2.740 -8.859 6.874 912 HA VAL 114 HA VAL 114 0.064 -9.548 5.929 913 HB VAL 114 HB VAL 114 0.929 -11.638 7.003 914 HG11 VAL 114 HG11 VAL 114 0.906 -10.062 9.615 915 HG12 VAL 114 HG12 VAL 114 1.218 -11.796 9.411 916 HG13 VAL 114 HG13 VAL 114 2.362 -10.618 8.757 917 HG21 VAL 114 HG21 VAL 114 -1.416 -10.354 8.461 918 HG22 VAL 114 HG22 VAL 114 -1.474 -11.195 6.897 919 HG23 VAL 114 HG23 VAL 114 -1.048 -12.086 8.358 920 H LEU 115 H LEU 115 -1.578 -8.359 7.009 921 HA LEU 115 HA LEU 115 -0.858 -6.521 9.112 922 HB2 LEU 115 HB1 LEU 115 -1.585 -4.501 7.695 923 HB3 LEU 115 HB2 LEU 115 0.081 -5.074 7.620 924 HG LEU 115 HG LEU 115 -1.821 -6.149 5.539 925 HD11 LEU 115 HD11 LEU 115 -2.586 -3.877 5.583 926 HD12 LEU 115 HD12 LEU 115 -1.549 -4.059 4.167 927 HD13 LEU 115 HD13 LEU 115 -0.934 -3.239 5.623 928 HD21 LEU 115 HD21 LEU 115 1.011 -4.993 5.486 929 HD22 LEU 115 HD22 LEU 115 0.176 -5.733 4.101 930 HD23 LEU 115 HD23 LEU 115 0.585 -6.709 5.518 931 HA PRO 116 HA PRO 116 -5.080 -7.053 9.982 932 HB2 PRO 116 HB1 PRO 116 -5.664 -4.952 11.654 933 HB3 PRO 116 HB2 PRO 116 -4.676 -6.374 12.107 934 HG2 PRO 116 HG1 PRO 116 -3.701 -3.682 11.105 935 HG3 PRO 116 HG2 PRO 116 -3.133 -4.599 12.547 936 HD2 PRO 116 HD1 PRO 116 -1.771 -4.759 10.230 937 HD3 PRO 116 HD2 PRO 116 -2.078 -6.243 11.184 938 H VAL 117 H VAL 117 -7.210 -6.354 9.666 939 HA VAL 117 HA VAL 117 -7.591 -4.146 7.667 940 HB VAL 117 HB VAL 117 -9.546 -6.374 8.330 941 HG11 VAL 117 HG11 VAL 117 -10.576 -5.754 6.194 942 HG12 VAL 117 HG12 VAL 117 -10.451 -4.333 7.237 943 HG13 VAL 117 HG13 VAL 117 -9.310 -4.542 5.898 944 HG21 VAL 117 HG21 VAL 117 -7.572 -7.505 7.431 945 HG22 VAL 117 HG22 VAL 117 -8.872 -7.495 6.240 946 HG23 VAL 117 HG23 VAL 117 -7.508 -6.378 6.066 947 H GLU 118 H GLU 118 -8.601 -2.332 8.383 948 HA GLU 118 HA GLU 118 -10.696 -2.401 10.432 949 HB2 GLU 118 HB1 GLU 118 -8.168 -0.764 10.784 950 HB3 GLU 118 HB2 GLU 118 -9.703 -0.493 11.665 951 HG2 GLU 118 HG1 GLU 118 -9.516 -2.980 12.347 952 HG3 GLU 118 HG2 GLU 118 -7.816 -2.854 11.862 953 H ALA 119 H ALA 119 -11.907 -0.335 10.504 954 HA ALA 119 HA ALA 119 -12.129 0.626 7.684 955 HB1 ALA 119 HB1 ALA 119 -14.539 0.627 8.124 956 HB2 ALA 119 HB2 ALA 119 -13.866 -0.964 8.545 957 HB3 ALA 119 HB3 ALA 119 -14.265 0.199 9.823 958 H ARG 120 H ARG 120 -11.984 2.776 7.294 959 HA ARG 120 HA ARG 120 -13.456 4.690 8.787 960 HB2 ARG 120 HB1 ARG 120 -11.840 6.138 9.660 961 HB3 ARG 120 HB2 ARG 120 -11.365 4.535 10.233 962 HG2 ARG 120 HG1 ARG 120 -9.315 4.907 9.463 963 HG3 ARG 120 HG2 ARG 120 -9.924 4.946 7.806 964 HD2 ARG 120 HD1 ARG 120 -9.575 7.302 9.718 965 HD3 ARG 120 HD2 ARG 120 -8.671 6.976 8.222 966 HE ARG 120 HE ARG 120 -11.270 7.077 7.381 967 HH11 ARG 120 HH12 ARG 120 -9.605 9.528 9.217 968 HH12 ARG 120 HH11 ARG 120 -10.923 10.655 8.987 969 HH21 ARG 120 HH22 ARG 120 -12.812 8.298 7.281 970 HH22 ARG 120 HH21 ARG 120 -12.783 9.972 7.838 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 12.774 -8.284 11.430 2 H2 GLY 1 2H GLY 1 13.819 -7.148 11.965 3 H3 GLY 1 3H GLY 1 14.260 -8.741 12.002 4 HA2 GLY 1 HA3 GLY 1 15.340 -7.557 10.163 5 HA3 GLY 1 HA2 GLY 1 14.248 -8.838 9.588 6 H SER 2 H SER 2 12.508 -8.250 8.280 7 HA SER 2 HA SER 2 11.165 -5.687 8.604 8 HB2 SER 2 HB1 SER 2 9.266 -7.092 7.678 9 HB3 SER 2 HB2 SER 2 10.684 -6.932 6.608 10 HG SER 2 HG SER 2 9.711 -9.105 6.983 11 H PHE 3 H PHE 3 8.869 -5.893 9.625 12 HA PHE 3 HA PHE 3 8.577 -7.946 11.689 13 HB2 PHE 3 HB1 PHE 3 8.166 -6.505 13.526 14 HB3 PHE 3 HB2 PHE 3 9.796 -6.230 12.903 15 HD1 PHE 3 HD2 PHE 3 10.034 -4.129 11.266 16 HD2 PHE 3 HD1 PHE 3 6.838 -4.684 14.109 17 HE1 PHE 3 HE2 PHE 3 9.517 -1.710 11.164 18 HE2 PHE 3 HE1 PHE 3 6.350 -2.262 14.026 19 HZ PHE 3 HZ PHE 3 7.652 -0.773 12.538 20 H THR 4 H THR 4 6.649 -5.036 11.627 21 HA THR 4 HA THR 4 4.528 -5.663 9.960 22 HB THR 4 HB THR 4 3.910 -7.663 10.900 23 HG1 THR 4 HG1 THR 4 2.433 -5.817 12.408 24 HG21 THR 4 HG21 THR 4 4.236 -6.484 13.701 25 HG22 THR 4 HG22 THR 4 5.185 -7.798 12.979 26 HG23 THR 4 HG23 THR 4 3.477 -8.047 13.323 27 H GLU 5 H GLU 5 4.043 -3.624 9.684 28 HA GLU 5 HA GLU 5 2.547 -2.233 11.741 29 HB2 GLU 5 HB1 GLU 5 4.839 -1.587 12.349 30 HB3 GLU 5 HB2 GLU 5 5.093 -0.910 10.746 31 HG2 GLU 5 HG1 GLU 5 3.103 0.633 11.225 32 HG3 GLU 5 HG2 GLU 5 3.122 0.015 12.888 33 H GLY 6 H GLY 6 1.118 -2.971 10.055 34 HA2 GLY 6 HA3 GLY 6 0.418 -0.796 8.283 35 HA3 GLY 6 HA2 GLY 6 0.840 -2.296 7.426 36 H TRP 7 H TRP 7 -1.657 -1.233 7.157 37 HA TRP 7 HA TRP 7 -3.249 -3.451 7.957 38 HB2 TRP 7 HB1 TRP 7 -5.001 -2.316 9.151 39 HB3 TRP 7 HB2 TRP 7 -3.470 -2.008 9.977 40 HD1 TRP 7 HD TRP 7 -6.388 -0.304 8.405 41 HE1 TRP 7 HE1 TRP 7 -6.235 2.198 8.749 42 HE3 TRP 7 3HE TRP 7 -1.515 -0.005 9.967 43 HZ2 TRP 7 HZ2 TRP 7 -4.196 4.163 9.507 44 HZ3 TRP 7 HZ3 TRP 7 -0.494 2.196 10.462 45 HH2 TRP 7 HH TRP 7 -1.822 4.276 10.258 46 H VAL 8 H VAL 8 -5.245 -3.612 6.752 47 HA VAL 8 HA VAL 8 -5.300 -1.892 4.296 48 HB VAL 8 HB VAL 8 -7.043 -4.299 4.814 49 HG11 VAL 8 HG11 VAL 8 -7.278 -4.224 2.311 50 HG12 VAL 8 HG12 VAL 8 -7.971 -2.813 3.117 51 HG13 VAL 8 HG13 VAL 8 -6.397 -2.699 2.303 52 HG21 VAL 8 HG21 VAL 8 -5.524 -5.529 3.269 53 HG22 VAL 8 HG22 VAL 8 -4.400 -4.153 3.299 54 HG23 VAL 8 HG23 VAL 8 -4.726 -5.086 4.776 55 H ARG 9 H ARG 9 -6.980 -0.456 3.864 56 HA ARG 9 HA ARG 9 -8.041 0.860 6.102 57 HB2 ARG 9 HB1 ARG 9 -7.361 1.904 3.987 58 HB3 ARG 9 HB2 ARG 9 -8.741 1.169 3.151 59 HG2 ARG 9 HG1 ARG 9 -10.300 2.497 4.367 60 HG3 ARG 9 HG2 ARG 9 -9.068 3.079 5.491 61 HD2 ARG 9 HD1 ARG 9 -8.052 4.410 3.669 62 HD3 ARG 9 HD2 ARG 9 -9.256 3.767 2.536 63 HE ARG 9 HE ARG 9 -10.169 5.128 5.034 64 HH11 ARG 9 HH12 ARG 9 -10.170 5.385 1.524 65 HH12 ARG 9 HH11 ARG 9 -11.597 6.398 1.565 66 HH21 ARG 9 HH22 ARG 9 -11.857 6.213 5.044 67 HH22 ARG 9 HH21 ARG 9 -12.597 6.895 3.604 68 H PHE 10 H PHE 10 -9.408 -1.948 5.038 69 HA PHE 10 HA PHE 10 -11.396 -2.987 5.130 70 HB2 PHE 10 HB1 PHE 10 -12.315 -2.605 7.055 71 HB3 PHE 10 HB2 PHE 10 -11.700 -0.978 7.177 72 HD1 PHE 10 HD2 PHE 10 -13.191 0.705 5.406 73 HD2 PHE 10 HD1 PHE 10 -14.526 -2.787 7.522 74 HE1 PHE 10 HE2 PHE 10 -15.530 1.468 5.193 75 HE2 PHE 10 HE1 PHE 10 -16.854 -1.980 7.423 76 HZ PHE 10 HZ PHE 10 -17.375 0.159 6.240 77 H SER 11 H SER 11 -13.546 -3.067 4.063 78 HA SER 11 HA SER 11 -14.641 -0.778 2.878 79 HB2 SER 11 HB1 SER 11 -12.833 -1.095 1.173 80 HB3 SER 11 HB2 SER 11 -13.548 -2.670 0.763 81 HG SER 11 HG SER 11 -14.244 -0.983 -0.592 82 HA PRO 12 HA PRO 12 -17.903 -3.971 2.806 83 HB2 PRO 12 HB1 PRO 12 -20.073 -2.415 2.469 84 HB3 PRO 12 HB2 PRO 12 -19.123 -2.323 3.984 85 HG2 PRO 12 HG1 PRO 12 -18.930 -0.505 1.560 86 HG3 PRO 12 HG2 PRO 12 -19.094 -0.026 3.290 87 HD2 PRO 12 HD1 PRO 12 -16.668 -0.180 1.964 88 HD3 PRO 12 HD2 PRO 12 -16.846 -0.493 3.712 89 H GLY 13 H GLY 13 -16.651 -2.090 0.259 90 HA2 GLY 13 HA3 GLY 13 -18.481 -3.243 -1.789 91 HA3 GLY 13 HA2 GLY 13 -17.583 -1.718 -1.964 92 HA PRO 14 HA PRO 14 -15.533 -5.616 -3.824 93 HB2 PRO 14 HB1 PRO 14 -15.361 -4.717 -6.450 94 HB3 PRO 14 HB2 PRO 14 -16.710 -5.661 -5.771 95 HG2 PRO 14 HG1 PRO 14 -16.506 -2.667 -6.124 96 HG3 PRO 14 HG2 PRO 14 -17.897 -3.740 -6.511 97 HD2 PRO 14 HD1 PRO 14 -17.837 -2.302 -4.215 98 HD3 PRO 14 HD2 PRO 14 -18.450 -3.982 -4.217 99 H ASN 15 H ASN 15 -14.651 -2.241 -3.830 100 HA ASN 15 HA ASN 15 -11.819 -2.880 -4.379 101 HB2 ASN 15 HB1 ASN 15 -13.317 -0.257 -4.634 102 HB3 ASN 15 HB2 ASN 15 -11.729 -0.682 -5.274 103 HD21 ASN 15 HD21 ASN 15 -11.911 -2.819 -6.815 104 HD22 ASN 15 HD22 ASN 15 -13.265 -2.715 -7.941 105 H ALA 16 H ALA 16 -10.253 -2.045 -3.113 106 HA ALA 16 HA ALA 16 -10.862 -0.476 -0.670 107 HB1 ALA 16 HB1 ALA 16 -11.083 -2.895 -0.079 108 HB2 ALA 16 HB2 ALA 16 -9.423 -3.173 -0.623 109 HB3 ALA 16 HB3 ALA 16 -9.741 -2.119 0.773 110 H ALA 17 H ALA 17 -8.517 -0.391 0.556 111 HA ALA 17 HA ALA 17 -6.275 0.163 -1.239 112 HB1 ALA 17 HB1 ALA 17 -7.583 2.269 -1.345 113 HB2 ALA 17 HB2 ALA 17 -7.547 2.388 0.428 114 HB3 ALA 17 HB3 ALA 17 -6.040 2.497 -0.494 115 H ALA 18 H ALA 18 -4.282 0.255 0.054 116 HA ALA 18 HA ALA 18 -4.534 -0.470 2.947 117 HB1 ALA 18 HB1 ALA 18 -2.812 -1.845 0.837 118 HB2 ALA 18 HB2 ALA 18 -2.940 -2.288 2.547 119 HB3 ALA 18 HB3 ALA 18 -4.336 -2.497 1.472 120 H TYR 19 H TYR 19 -2.878 -0.060 4.305 121 HA TYR 19 HA TYR 19 -0.613 1.687 3.406 122 HB2 TYR 19 HB1 TYR 19 -1.992 1.712 6.106 123 HB3 TYR 19 HB2 TYR 19 -0.826 2.879 5.476 124 HD1 TYR 19 HD1 TYR 19 -1.598 4.235 3.343 125 HD2 TYR 19 HD2 TYR 19 -4.265 2.172 6.028 126 HE1 TYR 19 HE1 TYR 19 -3.446 5.753 2.669 127 HE2 TYR 19 HE2 TYR 19 -6.128 3.672 5.342 128 HH TYR 19 HH TYR 19 -5.642 6.326 2.997 129 H LEU 20 H LEU 20 1.438 1.182 4.373 130 HA LEU 20 HA LEU 20 1.779 -0.697 6.482 131 HB2 LEU 20 HB1 LEU 20 2.629 -2.644 5.219 132 HB3 LEU 20 HB2 LEU 20 0.909 -2.369 4.927 133 HG LEU 20 HG LEU 20 2.078 -0.939 2.846 134 HD11 LEU 20 HD11 LEU 20 3.719 -3.468 3.266 135 HD12 LEU 20 HD12 LEU 20 4.314 -1.808 3.448 136 HD13 LEU 20 HD13 LEU 20 3.787 -2.380 1.857 137 HD21 LEU 20 HD21 LEU 20 1.413 -2.818 1.419 138 HD22 LEU 20 HD22 LEU 20 0.175 -2.453 2.637 139 HD23 LEU 20 HD23 LEU 20 1.245 -3.862 2.846 140 H THR 21 H THR 21 3.774 -1.133 7.132 141 HA THR 21 HA THR 21 5.916 0.627 6.290 142 HB THR 21 HB THR 21 5.660 -1.493 8.437 143 HG1 THR 21 HG1 THR 21 4.643 0.386 8.891 144 HG21 THR 21 HG21 THR 21 8.067 0.295 7.851 145 HG22 THR 21 HG22 THR 21 8.035 -1.488 7.876 146 HG23 THR 21 HG23 THR 21 7.774 -0.591 9.371 147 H LEU 22 H LEU 22 7.699 0.239 5.464 148 HA LEU 22 HA LEU 22 8.521 -2.357 4.233 149 HB2 LEU 22 HB1 LEU 22 8.719 0.557 3.390 150 HB3 LEU 22 HB2 LEU 22 10.014 -0.560 2.915 151 HG LEU 22 HG LEU 22 8.311 -0.074 1.164 152 HD11 LEU 22 HD11 LEU 22 9.808 -2.056 1.204 153 HD12 LEU 22 HD12 LEU 22 8.270 -2.371 0.379 154 HD13 LEU 22 HD13 LEU 22 8.543 -2.983 2.026 155 HD21 LEU 22 HD21 LEU 22 6.481 -1.864 2.797 156 HD22 LEU 22 HD22 LEU 22 6.125 -1.151 1.229 157 HD23 LEU 22 HD23 LEU 22 6.280 -0.100 2.652 158 H GLU 23 H GLU 23 10.197 -3.159 5.384 159 HA GLU 23 HA GLU 23 12.286 -1.268 6.353 160 HB2 GLU 23 HB1 GLU 23 12.136 -4.107 7.282 161 HB3 GLU 23 HB2 GLU 23 12.835 -2.662 8.063 162 HG2 GLU 23 HG1 GLU 23 11.010 -3.111 9.402 163 HG3 GLU 23 HG2 GLU 23 10.345 -1.895 8.329 164 H ASN 24 H ASN 24 14.146 -1.288 5.345 165 HA ASN 24 HA ASN 24 14.870 -3.577 3.577 166 HB2 ASN 24 HB1 ASN 24 14.796 -1.205 2.683 167 HB3 ASN 24 HB2 ASN 24 16.179 -0.840 3.719 168 HD21 ASN 24 HD21 ASN 24 16.706 -0.456 1.197 169 HD22 ASN 24 HD22 ASN 24 17.686 -1.781 0.528 170 HA PRO 25 HA PRO 25 17.737 -4.195 7.113 171 HB2 PRO 25 HB1 PRO 25 17.775 -6.929 7.153 172 HB3 PRO 25 HB2 PRO 25 16.417 -6.002 7.861 173 HG2 PRO 25 HG1 PRO 25 16.578 -7.206 5.073 174 HG3 PRO 25 HG2 PRO 25 15.268 -7.429 6.286 175 HD2 PRO 25 HD1 PRO 25 15.073 -5.559 4.319 176 HD3 PRO 25 HD2 PRO 25 14.498 -5.223 5.982 177 H GLY 26 H GLY 26 17.856 -4.705 3.723 178 HA2 GLY 26 HA3 GLY 26 20.472 -6.024 3.690 179 HA3 GLY 26 HA2 GLY 26 19.437 -5.616 2.303 180 H ASP 27 H ASP 27 22.093 -5.128 2.420 181 HA ASP 27 HA ASP 27 22.784 -2.403 3.138 182 HB2 ASP 27 HB1 ASP 27 24.222 -4.855 2.043 183 HB3 ASP 27 HB2 ASP 27 24.998 -3.343 2.522 184 H LEU 28 H LEU 28 21.253 -3.584 0.691 185 HA LEU 28 HA LEU 28 22.209 -1.708 -1.379 186 HB2 LEU 28 HB1 LEU 28 21.662 -3.346 -3.094 187 HB3 LEU 28 HB2 LEU 28 22.850 -3.962 -1.891 188 HG LEU 28 HG LEU 28 20.782 -5.137 -0.820 189 HD11 LEU 28 HD11 LEU 28 19.083 -5.874 -2.500 190 HD12 LEU 28 HD12 LEU 28 19.737 -4.698 -3.660 191 HD13 LEU 28 HD13 LEU 28 18.961 -4.152 -2.161 192 HD21 LEU 28 HD21 LEU 28 21.140 -7.100 -2.275 193 HD22 LEU 28 HD22 LEU 28 22.669 -6.299 -1.893 194 HD23 LEU 28 HD23 LEU 28 21.925 -6.064 -3.490 195 HA PRO 29 HA PRO 29 18.211 -0.091 -0.974 196 HB2 PRO 29 HB1 PRO 29 17.648 1.097 -3.358 197 HB3 PRO 29 HB2 PRO 29 18.975 1.643 -2.291 198 HG2 PRO 29 HG1 PRO 29 19.144 -0.134 -4.725 199 HG3 PRO 29 HG2 PRO 29 20.219 1.234 -4.267 200 HD2 PRO 29 HD1 PRO 29 20.789 -1.446 -3.800 201 HD3 PRO 29 HD2 PRO 29 21.434 -0.150 -2.779 202 H LEU 30 H LEU 30 16.015 -0.443 -1.216 203 HA LEU 30 HA LEU 30 15.158 -2.618 -3.064 204 HB2 LEU 30 HB1 LEU 30 14.051 -1.707 -0.390 205 HB3 LEU 30 HB2 LEU 30 13.065 -2.645 -1.521 206 HG LEU 30 HG LEU 30 15.748 -3.541 -0.531 207 HD11 LEU 30 HD11 LEU 30 14.562 -4.941 1.132 208 HD12 LEU 30 HD12 LEU 30 12.989 -4.385 0.514 209 HD13 LEU 30 HD13 LEU 30 14.061 -3.257 1.356 210 HD21 LEU 30 HD21 LEU 30 13.510 -5.114 -1.833 211 HD22 LEU 30 HD22 LEU 30 14.983 -5.808 -1.142 212 HD23 LEU 30 HD23 LEU 30 15.096 -4.736 -2.548 213 H ARG 31 H ARG 31 13.429 -2.407 -4.127 214 HA ARG 31 HA ARG 31 12.213 0.288 -4.557 215 HB2 ARG 31 HB1 ARG 31 14.134 -0.009 -6.118 216 HB3 ARG 31 HB2 ARG 31 13.303 -1.393 -6.846 217 HG2 ARG 31 HG1 ARG 31 11.490 -0.010 -7.607 218 HG3 ARG 31 HG2 ARG 31 12.011 1.356 -6.593 219 HD2 ARG 31 HD1 ARG 31 13.540 0.270 -8.989 220 HD3 ARG 31 HD2 ARG 31 12.512 1.725 -8.961 221 HE ARG 31 HE ARG 31 14.238 2.127 -6.867 222 HH11 ARG 31 HH12 ARG 31 15.011 1.495 -10.259 223 HH12 ARG 31 HH11 ARG 31 16.645 2.084 -10.053 224 HH21 ARG 31 HH22 ARG 31 16.218 2.876 -6.674 225 HH22 ARG 31 HH21 ARG 31 17.319 2.911 -8.020 226 H LEU 32 H LEU 32 10.180 -0.129 -4.014 227 HA LEU 32 HA LEU 32 8.918 -2.768 -4.381 228 HB2 LEU 32 HB1 LEU 32 8.764 -1.558 -2.281 229 HB3 LEU 32 HB2 LEU 32 8.091 -0.130 -3.098 230 HG LEU 32 HG LEU 32 6.086 -1.627 -3.731 231 HD11 LEU 32 HD11 LEU 32 7.102 -3.834 -3.357 232 HD12 LEU 32 HD12 LEU 32 5.745 -3.611 -2.247 233 HD13 LEU 32 HD13 LEU 32 7.408 -3.437 -1.658 234 HD21 LEU 32 HD21 LEU 32 5.872 0.048 -2.048 235 HD22 LEU 32 HD22 LEU 32 6.803 -0.898 -0.876 236 HD23 LEU 32 HD23 LEU 32 5.178 -1.427 -1.350 237 H VAL 33 H VAL 33 8.113 -3.189 -6.347 238 HA VAL 33 HA VAL 33 7.083 -0.963 -8.072 239 HB VAL 33 HB VAL 33 7.287 -2.588 -9.948 240 HG11 VAL 33 HG11 VAL 33 9.173 -1.083 -9.540 241 HG12 VAL 33 HG12 VAL 33 9.870 -2.215 -8.359 242 HG13 VAL 33 HG13 VAL 33 9.762 -2.655 -10.073 243 HG21 VAL 33 HG21 VAL 33 8.739 -4.452 -8.023 244 HG22 VAL 33 HG22 VAL 33 7.093 -4.738 -8.636 245 HG23 VAL 33 HG23 VAL 33 8.459 -4.685 -9.752 246 H GLY 34 H GLY 34 6.045 -3.726 -6.229 247 HA2 GLY 34 HA3 GLY 34 3.261 -3.436 -7.038 248 HA3 GLY 34 HA2 GLY 34 4.025 -4.962 -7.535 249 H ALA 35 H ALA 35 2.007 -5.431 -6.190 250 HA ALA 35 HA ALA 35 2.992 -6.633 -3.713 251 HB1 ALA 35 HB1 ALA 35 0.523 -4.839 -3.868 252 HB2 ALA 35 HB2 ALA 35 0.836 -5.969 -2.529 253 HB3 ALA 35 HB3 ALA 35 1.954 -4.647 -2.834 254 H ARG 36 H ARG 36 1.051 -8.060 -2.894 255 HA ARG 36 HA ARG 36 -0.971 -8.831 -4.810 256 HB2 ARG 36 HB1 ARG 36 0.465 -11.167 -3.570 257 HB3 ARG 36 HB2 ARG 36 -0.766 -11.158 -4.850 258 HG2 ARG 36 HG1 ARG 36 0.931 -10.222 -6.416 259 HG3 ARG 36 HG2 ARG 36 2.154 -10.345 -5.127 260 HD2 ARG 36 HD1 ARG 36 1.568 -12.817 -4.955 261 HD3 ARG 36 HD2 ARG 36 0.592 -12.611 -6.427 262 HE ARG 36 HE ARG 36 2.591 -12.157 -7.666 263 HH11 ARG 36 HH12 ARG 36 3.375 -13.054 -4.286 264 HH12 ARG 36 HH11 ARG 36 5.030 -13.335 -4.688 265 HH21 ARG 36 HH22 ARG 36 4.749 -12.535 -8.053 266 HH22 ARG 36 HH21 ARG 36 5.795 -13.071 -6.775 267 H THR 37 H THR 37 -2.468 -10.545 -3.496 268 HA THR 37 HA THR 37 -2.358 -10.751 -0.659 269 HB THR 37 HB THR 37 -2.884 -8.471 -0.466 270 HG1 THR 37 HG1 THR 37 -4.144 -9.347 0.889 271 HG21 THR 37 HG21 THR 37 -4.876 -7.415 -1.545 272 HG22 THR 37 HG22 THR 37 -5.087 -8.871 -2.536 273 HG23 THR 37 HG23 THR 37 -3.638 -7.852 -2.725 274 HA PRO 38 HA PRO 38 -5.286 -13.781 -2.114 275 HB2 PRO 38 HB1 PRO 38 -6.375 -14.781 0.160 276 HB3 PRO 38 HB2 PRO 38 -4.642 -14.973 -0.281 277 HG2 PRO 38 HG1 PRO 38 -5.837 -12.929 1.588 278 HG3 PRO 38 HG2 PRO 38 -4.451 -14.032 1.898 279 HD2 PRO 38 HD1 PRO 38 -4.148 -11.438 1.029 280 HD3 PRO 38 HD2 PRO 38 -3.022 -12.716 0.524 281 H VAL 39 H VAL 39 -6.303 -10.915 -0.680 282 HA VAL 39 HA VAL 39 -9.168 -11.411 -1.452 283 HB VAL 39 HB VAL 39 -9.899 -9.747 0.136 284 HG11 VAL 39 HG11 VAL 39 -9.573 -11.078 2.158 285 HG12 VAL 39 HG12 VAL 39 -9.867 -12.102 0.739 286 HG13 VAL 39 HG13 VAL 39 -8.228 -11.949 1.400 287 HG21 VAL 39 HG21 VAL 39 -7.931 -8.275 0.353 288 HG22 VAL 39 HG22 VAL 39 -8.301 -8.959 1.939 289 HG23 VAL 39 HG23 VAL 39 -6.965 -9.612 0.976 290 H ALA 40 H ALA 40 -7.455 -10.816 -3.462 291 HA ALA 40 HA ALA 40 -9.044 -8.663 -4.610 292 HB1 ALA 40 HB1 ALA 40 -7.115 -7.421 -3.533 293 HB2 ALA 40 HB2 ALA 40 -6.015 -8.325 -4.607 294 HB3 ALA 40 HB3 ALA 40 -7.225 -7.230 -5.279 295 H GLU 41 H GLU 41 -8.542 -8.418 -6.912 296 HA GLU 41 HA GLU 41 -7.496 -10.803 -8.373 297 HB2 GLU 41 HB1 GLU 41 -9.895 -9.688 -8.650 298 HB3 GLU 41 HB2 GLU 41 -9.011 -8.484 -9.604 299 HG2 GLU 41 HG1 GLU 41 -9.742 -9.985 -11.228 300 HG3 GLU 41 HG2 GLU 41 -8.109 -10.580 -10.932 301 H ARG 42 H ARG 42 -7.012 -7.371 -7.707 302 HA ARG 42 HA ARG 42 -4.479 -7.268 -9.109 303 HB2 ARG 42 HB1 ARG 42 -6.977 -6.115 -10.113 304 HB3 ARG 42 HB2 ARG 42 -5.801 -4.837 -9.746 305 HG2 ARG 42 HG1 ARG 42 -4.089 -6.279 -11.026 306 HG3 ARG 42 HG2 ARG 42 -5.488 -7.209 -11.600 307 HD2 ARG 42 HD1 ARG 42 -6.418 -5.235 -12.669 308 HD3 ARG 42 HD2 ARG 42 -5.229 -4.174 -11.896 309 HE ARG 42 HE ARG 42 -4.910 -5.750 -14.300 310 HH11 ARG 42 HH12 ARG 42 -3.018 -4.389 -11.618 311 HH12 ARG 42 HH11 ARG 42 -1.560 -4.317 -12.545 312 HH21 ARG 42 HH22 ARG 42 -2.987 -5.598 -15.463 313 HH22 ARG 42 HH21 ARG 42 -1.542 -5.015 -14.684 314 H VAL 43 H VAL 43 -3.489 -5.070 -8.665 315 HA VAL 43 HA VAL 43 -4.062 -3.790 -6.273 316 HB VAL 43 HB VAL 43 -3.367 -5.867 -5.329 317 HG11 VAL 43 HG11 VAL 43 -1.132 -6.639 -5.158 318 HG12 VAL 43 HG12 VAL 43 -1.535 -6.544 -6.877 319 HG13 VAL 43 HG13 VAL 43 -0.480 -5.315 -6.136 320 HG21 VAL 43 HG21 VAL 43 -3.201 -3.774 -4.041 321 HG22 VAL 43 HG22 VAL 43 -1.965 -4.932 -3.528 322 HG23 VAL 43 HG23 VAL 43 -1.518 -3.570 -4.579 323 H GLU 44 H GLU 44 -3.369 -1.873 -6.606 324 HA GLU 44 HA GLU 44 -1.049 -1.402 -8.470 325 HB2 GLU 44 HB1 GLU 44 -3.884 -0.370 -8.655 326 HB3 GLU 44 HB2 GLU 44 -2.491 0.445 -9.443 327 HG2 GLU 44 HG1 GLU 44 -3.327 -0.888 -11.131 328 HG3 GLU 44 HG2 GLU 44 -1.964 -1.818 -10.519 329 H LEU 45 H LEU 45 0.299 0.142 -8.015 330 HA LEU 45 HA LEU 45 0.157 1.218 -5.322 331 HB2 LEU 45 HB1 LEU 45 2.124 0.081 -6.281 332 HB3 LEU 45 HB2 LEU 45 2.251 1.358 -7.519 333 HG LEU 45 HG LEU 45 2.590 3.005 -5.603 334 HD11 LEU 45 HD11 LEU 45 1.714 1.538 -3.742 335 HD12 LEU 45 HD12 LEU 45 3.330 2.198 -3.450 336 HD13 LEU 45 HD13 LEU 45 3.158 0.514 -3.962 337 HD21 LEU 45 HD21 LEU 45 4.934 2.477 -5.457 338 HD22 LEU 45 HD22 LEU 45 4.372 2.034 -7.070 339 HD23 LEU 45 HD23 LEU 45 4.626 0.764 -5.850 340 H HIS 46 H HIS 46 -0.539 3.147 -4.732 341 HA HIS 46 HA HIS 46 -0.587 5.435 -6.664 342 HB2 HIS 46 HB1 HIS 46 -2.548 4.575 -4.508 343 HB3 HIS 46 HB2 HIS 46 -2.655 6.111 -5.373 344 HD2 HIS 46 HD2 HIS 46 -1.988 3.700 -8.044 345 HE1 HIS 46 HE1 HIS 46 -6.175 3.364 -7.415 346 HE2 HIS 46 HE2 HIS 46 -4.239 2.789 -9.024 347 H GLU 47 H GLU 47 -0.635 7.440 -5.866 348 HA GLU 47 HA GLU 47 0.224 7.921 -3.056 349 HB2 GLU 47 HB1 GLU 47 1.204 9.957 -3.661 350 HB3 GLU 47 HB2 GLU 47 1.789 8.724 -4.822 351 HG2 GLU 47 HG1 GLU 47 0.392 9.543 -6.549 352 HG3 GLU 47 HG2 GLU 47 -0.458 10.647 -5.453 353 H THR 48 H THR 48 -0.887 9.517 -1.941 354 HA THR 48 HA THR 48 -3.422 10.647 -3.068 355 HB THR 48 HB THR 48 -2.720 10.023 -0.172 356 HG1 THR 48 HG1 THR 48 -4.596 8.828 -0.333 357 HG21 THR 48 HG21 THR 48 -4.952 10.913 0.402 358 HG22 THR 48 HG22 THR 48 -5.159 11.487 -1.266 359 HG23 THR 48 HG23 THR 48 -3.902 12.181 -0.216 360 H PHE 49 H PHE 49 -3.472 12.858 -3.033 361 HA PHE 49 HA PHE 49 -1.199 14.362 -1.852 362 HB2 PHE 49 HB1 PHE 49 -0.944 15.641 -3.896 363 HB3 PHE 49 HB2 PHE 49 -0.620 13.937 -4.166 364 HD1 PHE 49 HD1 PHE 49 -3.231 16.592 -4.574 365 HD2 PHE 49 HD2 PHE 49 -1.720 12.830 -6.045 366 HE1 PHE 49 HE1 PHE 49 -4.781 16.736 -6.462 367 HE2 PHE 49 HE2 PHE 49 -3.255 12.999 -7.980 368 HZ PHE 49 HZ PHE 49 -4.773 14.961 -8.217 369 H MET 50 H MET 50 -1.582 16.791 -2.190 370 HA MET 50 HA MET 50 -4.419 17.589 -1.797 371 HB2 MET 50 HB1 MET 50 -3.122 17.902 0.273 372 HB3 MET 50 HB2 MET 50 -1.888 18.825 -0.610 373 HG2 MET 50 HG1 MET 50 -3.510 20.525 -1.199 374 HG3 MET 50 HG2 MET 50 -4.822 19.543 -0.520 375 HE1 MET 50 HE1 MET 50 -2.561 22.552 0.053 376 HE2 MET 50 HE2 MET 50 -1.842 22.264 1.653 377 HE3 MET 50 HE3 MET 50 -1.407 21.215 0.292 378 H ARG 51 H ARG 51 -5.124 19.246 -3.120 379 HA ARG 51 HA ARG 51 -3.170 20.807 -4.715 380 HB2 ARG 51 HB1 ARG 51 -5.318 19.023 -5.780 381 HB3 ARG 51 HB2 ARG 51 -5.152 20.633 -6.530 382 HG2 ARG 51 HG1 ARG 51 -2.695 20.148 -6.828 383 HG3 ARG 51 HG2 ARG 51 -3.011 18.483 -6.312 384 HD2 ARG 51 HD1 ARG 51 -2.976 18.580 -8.741 385 HD3 ARG 51 HD2 ARG 51 -4.635 18.255 -8.211 386 HE ARG 51 HE ARG 51 -4.419 21.042 -8.453 387 HH11 ARG 51 HH12 ARG 51 -4.177 18.304 -10.659 388 HH12 ARG 51 HH11 ARG 51 -4.734 19.224 -12.027 389 HH21 ARG 51 HH22 ARG 51 -5.150 22.183 -10.165 390 HH22 ARG 51 HH21 ARG 51 -5.309 21.455 -11.734 391 H GLU 52 H GLU 52 -3.842 22.958 -5.222 392 HA GLU 52 HA GLU 52 -6.348 23.975 -4.135 393 HB2 GLU 52 HB1 GLU 52 -3.853 24.883 -4.040 394 HB3 GLU 52 HB2 GLU 52 -4.214 25.450 -5.685 395 HG2 GLU 52 HG1 GLU 52 -4.752 27.258 -4.313 396 HG3 GLU 52 HG2 GLU 52 -6.309 26.519 -4.670 397 H VAL 53 H VAL 53 -8.002 24.680 -5.532 398 HA VAL 53 HA VAL 53 -7.392 25.435 -8.305 399 HB VAL 53 HB VAL 53 -9.587 24.462 -9.078 400 HG11 VAL 53 HG11 VAL 53 -8.682 22.348 -9.766 401 HG12 VAL 53 HG12 VAL 53 -7.365 23.530 -9.744 402 HG13 VAL 53 HG13 VAL 53 -7.519 22.331 -8.436 403 HG21 VAL 53 HG21 VAL 53 -9.324 22.611 -6.661 404 HG22 VAL 53 HG22 VAL 53 -10.624 23.791 -6.934 405 HG23 VAL 53 HG23 VAL 53 -10.450 22.407 -8.012 406 H GLU 54 H GLU 54 -8.395 27.362 -8.756 407 HA GLU 54 HA GLU 54 -9.529 29.301 -8.469 408 HB2 GLU 54 HB1 GLU 54 -11.647 27.620 -7.107 409 HB3 GLU 54 HB2 GLU 54 -11.883 29.228 -7.821 410 HG2 GLU 54 HG1 GLU 54 -11.788 28.395 -10.024 411 HG3 GLU 54 HG2 GLU 54 -11.082 26.844 -9.516 412 H GLY 55 H GLY 55 -7.845 28.288 -6.089 413 HA2 GLY 55 HA3 GLY 55 -7.198 29.284 -4.051 414 HA3 GLY 55 HA2 GLY 55 -8.642 30.320 -4.105 415 H LYS 56 H LYS 56 -9.118 26.942 -4.594 416 HA LYS 56 HA LYS 56 -10.186 26.510 -1.859 417 HB2 LYS 56 HB1 LYS 56 -11.296 25.271 -4.397 418 HB3 LYS 56 HB2 LYS 56 -12.006 25.248 -2.772 419 HG2 LYS 56 HG1 LYS 56 -12.483 27.657 -2.946 420 HG3 LYS 56 HG2 LYS 56 -11.734 27.713 -4.559 421 HD2 LYS 56 HD1 LYS 56 -14.282 26.266 -3.792 422 HD3 LYS 56 HD2 LYS 56 -14.088 27.699 -4.841 423 HE2 LYS 56 HE1 LYS 56 -12.523 26.098 -6.226 424 HE3 LYS 56 HE2 LYS 56 -13.372 24.797 -5.395 425 HZ1 LYS 56 HZ1 LYS 56 -15.454 25.684 -6.392 426 HZ2 LYS 56 HZ2 LYS 56 -14.292 25.453 -7.575 427 HZ3 LYS 56 HZ3 LYS 56 -14.576 26.908 -7.114 428 H LYS 57 H LYS 57 -9.023 25.003 -0.922 429 HA LYS 57 HA LYS 57 -7.363 23.145 -2.412 430 HB2 LYS 57 HB1 LYS 57 -6.378 22.624 -0.226 431 HB3 LYS 57 HB2 LYS 57 -6.293 24.322 -0.745 432 HG2 LYS 57 HG1 LYS 57 -8.364 24.653 0.802 433 HG3 LYS 57 HG2 LYS 57 -7.883 23.076 1.488 434 HD2 LYS 57 HD1 LYS 57 -6.699 24.445 2.877 435 HD3 LYS 57 HD2 LYS 57 -5.480 24.259 1.629 436 HE2 LYS 57 HE1 LYS 57 -7.451 26.585 1.900 437 HE3 LYS 57 HE2 LYS 57 -5.764 26.601 2.462 438 HZ1 LYS 57 HZ1 LYS 57 -6.668 26.483 -0.386 439 HZ2 LYS 57 HZ2 LYS 57 -5.152 26.310 0.022 440 HZ3 LYS 57 HZ3 LYS 57 -5.924 27.718 0.346 441 H VAL 58 H VAL 58 -7.646 21.163 -2.745 442 HA VAL 58 HA VAL 58 -9.664 19.475 -1.350 443 HB VAL 58 HB VAL 58 -9.542 19.743 -4.390 444 HG11 VAL 58 HG11 VAL 58 -10.348 17.537 -3.635 445 HG12 VAL 58 HG12 VAL 58 -11.514 18.310 -2.541 446 HG13 VAL 58 HG13 VAL 58 -11.689 18.459 -4.304 447 HG21 VAL 58 HG21 VAL 58 -11.619 20.926 -2.499 448 HG22 VAL 58 HG22 VAL 58 -10.514 21.827 -3.566 449 HG23 VAL 58 HG23 VAL 58 -11.780 20.825 -4.264 450 H MET 59 H MET 59 -9.126 17.254 -1.400 451 HA MET 59 HA MET 59 -6.322 16.653 -2.120 452 HB2 MET 59 HB1 MET 59 -8.394 15.095 -0.556 453 HB3 MET 59 HB2 MET 59 -6.739 14.521 -0.916 454 HG2 MET 59 HG1 MET 59 -5.895 16.671 0.138 455 HG3 MET 59 HG2 MET 59 -7.534 16.950 0.731 456 HE1 MET 59 HE1 MET 59 -4.674 14.305 0.512 457 HE2 MET 59 HE2 MET 59 -4.132 15.648 1.548 458 HE3 MET 59 HE3 MET 59 -4.367 14.027 2.238 459 H GLY 60 H GLY 60 -5.786 14.582 -3.081 460 HA2 GLY 60 HA3 GLY 60 -7.623 13.494 -5.086 461 HA3 GLY 60 HA2 GLY 60 -6.270 14.450 -5.732 462 H MET 61 H MET 61 -6.097 12.102 -6.696 463 HA MET 61 HA MET 61 -4.029 10.596 -5.245 464 HB2 MET 61 HB1 MET 61 -6.054 9.721 -4.301 465 HB3 MET 61 HB2 MET 61 -6.843 9.655 -5.890 466 HG2 MET 61 HG1 MET 61 -5.161 7.907 -6.539 467 HG3 MET 61 HG2 MET 61 -4.626 7.879 -4.864 468 HE1 MET 61 HE1 MET 61 -6.933 7.955 -3.018 469 HE2 MET 61 HE2 MET 61 -8.235 8.473 -4.125 470 HE3 MET 61 HE3 MET 61 -8.334 6.891 -3.317 471 H ARG 62 H ARG 62 -2.816 9.271 -6.632 472 HA ARG 62 HA ARG 62 -3.665 8.808 -9.372 473 HB2 ARG 62 HB1 ARG 62 -1.863 9.934 -10.525 474 HB3 ARG 62 HB2 ARG 62 -2.811 11.110 -9.584 475 HG2 ARG 62 HG1 ARG 62 -1.083 11.146 -7.853 476 HG3 ARG 62 HG2 ARG 62 -0.118 9.964 -8.765 477 HD2 ARG 62 HD1 ARG 62 0.224 11.535 -10.578 478 HD3 ARG 62 HD2 ARG 62 -0.920 12.692 -9.847 479 HE ARG 62 HE ARG 62 0.755 12.502 -7.827 480 HH11 ARG 62 HH12 ARG 62 1.875 12.873 -11.173 481 HH12 ARG 62 HH11 ARG 62 3.470 13.289 -10.601 482 HH21 ARG 62 HH22 ARG 62 2.717 12.670 -7.269 483 HH22 ARG 62 HH21 ARG 62 3.947 13.270 -8.349 484 HA PRO 63 HA PRO 63 -0.974 5.356 -8.684 485 HB2 PRO 63 HB1 PRO 63 -0.540 4.326 -11.142 486 HB3 PRO 63 HB2 PRO 63 -2.168 4.323 -10.402 487 HG2 PRO 63 HG1 PRO 63 -1.033 6.341 -12.360 488 HG3 PRO 63 HG2 PRO 63 -2.607 5.476 -12.454 489 HD2 PRO 63 HD1 PRO 63 -2.386 8.011 -11.427 490 HD3 PRO 63 HD2 PRO 63 -3.541 6.822 -10.757 491 H VAL 64 H VAL 64 1.177 4.580 -8.860 492 HA VAL 64 HA VAL 64 3.164 6.367 -10.154 493 HB VAL 64 HB VAL 64 4.556 6.414 -8.125 494 HG11 VAL 64 HG11 VAL 64 3.020 8.300 -8.641 495 HG12 VAL 64 HG12 VAL 64 1.810 7.583 -7.548 496 HG13 VAL 64 HG13 VAL 64 3.375 8.127 -6.917 497 HG21 VAL 64 HG21 VAL 64 2.186 5.220 -6.642 498 HG22 VAL 64 HG22 VAL 64 3.758 4.434 -6.946 499 HG23 VAL 64 HG23 VAL 64 3.670 5.861 -5.914 500 HA PRO 65 HA PRO 65 4.800 2.588 -11.454 501 HB2 PRO 65 HB1 PRO 65 7.352 3.108 -12.123 502 HB3 PRO 65 HB2 PRO 65 5.986 3.983 -12.879 503 HG2 PRO 65 HG1 PRO 65 7.720 4.893 -10.566 504 HG3 PRO 65 HG2 PRO 65 7.285 5.812 -12.051 505 HD2 PRO 65 HD1 PRO 65 5.932 6.086 -9.676 506 HD3 PRO 65 HD2 PRO 65 5.118 6.225 -11.254 507 H PHE 66 H PHE 66 6.457 3.858 -8.650 508 HA PHE 66 HA PHE 66 6.662 1.377 -7.327 509 HB2 PHE 66 HB1 PHE 66 9.085 1.102 -7.208 510 HB3 PHE 66 HB2 PHE 66 8.468 0.849 -8.836 511 HD1 PHE 66 HD2 PHE 66 10.349 3.125 -6.630 512 HD2 PHE 66 HD1 PHE 66 9.042 2.342 -10.642 513 HE1 PHE 66 HE2 PHE 66 11.833 4.913 -7.402 514 HE2 PHE 66 HE1 PHE 66 10.639 4.096 -11.487 515 HZ PHE 66 HZ PHE 66 12.025 5.391 -9.868 516 H LEU 67 H LEU 67 7.861 1.598 -5.274 517 HA LEU 67 HA LEU 67 8.478 4.405 -4.421 518 HB2 LEU 67 HB1 LEU 67 7.868 2.030 -2.611 519 HB3 LEU 67 HB2 LEU 67 8.188 3.688 -2.094 520 HG LEU 67 HG LEU 67 5.729 2.556 -3.454 521 HD11 LEU 67 HD11 LEU 67 5.938 2.257 -1.030 522 HD12 LEU 67 HD12 LEU 67 4.605 3.354 -1.445 523 HD13 LEU 67 HD13 LEU 67 6.142 4.012 -0.826 524 HD21 LEU 67 HD21 LEU 67 6.278 5.505 -2.858 525 HD22 LEU 67 HD22 LEU 67 4.726 4.806 -3.387 526 HD23 LEU 67 HD23 LEU 67 6.104 4.787 -4.475 527 H GLU 68 H GLU 68 10.393 4.613 -3.112 528 HA GLU 68 HA GLU 68 12.467 2.516 -3.627 529 HB2 GLU 68 HB1 GLU 68 12.855 4.703 -4.806 530 HB3 GLU 68 HB2 GLU 68 12.840 5.511 -3.218 531 HG2 GLU 68 HG1 GLU 68 15.105 5.261 -3.683 532 HG3 GLU 68 HG2 GLU 68 14.801 3.925 -2.588 533 H VAL 69 H VAL 69 13.588 1.810 -1.824 534 HA VAL 69 HA VAL 69 13.512 3.530 0.554 535 HB VAL 69 HB VAL 69 13.057 0.514 0.747 536 HG11 VAL 69 HG11 VAL 69 13.241 2.594 2.972 537 HG12 VAL 69 HG12 VAL 69 12.780 0.895 3.185 538 HG13 VAL 69 HG13 VAL 69 14.410 1.298 2.653 539 HG21 VAL 69 HG21 VAL 69 11.179 2.836 1.379 540 HG22 VAL 69 HG22 VAL 69 10.964 1.608 0.106 541 HG23 VAL 69 HG23 VAL 69 10.875 1.145 1.802 542 HA PRO 70 HA PRO 70 17.864 2.780 -0.041 543 HB2 PRO 70 HB1 PRO 70 18.897 4.227 2.034 544 HB3 PRO 70 HB2 PRO 70 18.132 4.995 0.610 545 HG2 PRO 70 HG1 PRO 70 16.850 4.366 3.288 546 HG3 PRO 70 HG2 PRO 70 16.835 5.931 2.396 547 HD2 PRO 70 HD1 PRO 70 14.768 4.172 2.220 548 HD3 PRO 70 HD2 PRO 70 15.314 5.092 0.789 549 HA PRO 71 HA PRO 71 18.966 -0.618 2.529 550 HB2 PRO 71 HB1 PRO 71 21.664 -0.365 2.994 551 HB3 PRO 71 HB2 PRO 71 20.902 -0.879 1.453 552 HG2 PRO 71 HG1 PRO 71 21.903 1.865 2.195 553 HG3 PRO 71 HG2 PRO 71 22.167 0.938 0.669 554 HD2 PRO 71 HD1 PRO 71 20.234 2.856 0.871 555 HD3 PRO 71 HD2 PRO 71 19.969 1.353 -0.063 556 H LYS 72 H LYS 72 19.184 -1.358 4.549 557 HA LYS 72 HA LYS 72 19.166 -1.508 6.759 558 HB2 LYS 72 HB1 LYS 72 20.550 1.131 7.093 559 HB3 LYS 72 HB2 LYS 72 20.639 -0.312 8.115 560 HG2 LYS 72 HG1 LYS 72 21.981 0.242 5.468 561 HG3 LYS 72 HG2 LYS 72 22.739 -0.042 7.039 562 HD2 LYS 72 HD1 LYS 72 21.280 -2.113 5.359 563 HD3 LYS 72 HD2 LYS 72 23.046 -1.871 5.430 564 HE2 LYS 72 HE1 LYS 72 23.037 -2.528 7.802 565 HE3 LYS 72 HE2 LYS 72 21.275 -2.722 7.760 566 HZ1 LYS 72 HZ1 LYS 72 23.173 -4.240 6.042 567 HZ2 LYS 72 HZ2 LYS 72 21.567 -4.515 6.161 568 HZ3 LYS 72 HZ3 LYS 72 22.554 -4.834 7.428 569 H GLY 73 H GLY 73 17.619 1.074 5.279 570 HA2 GLY 73 HA3 GLY 73 16.528 2.336 7.699 571 HA3 GLY 73 HA2 GLY 73 16.233 2.817 6.012 572 H ARG 74 H ARG 74 14.127 2.946 7.660 573 HA ARG 74 HA ARG 74 12.386 1.031 6.332 574 HB2 ARG 74 HB1 ARG 74 11.165 0.258 8.134 575 HB3 ARG 74 HB2 ARG 74 12.856 0.091 8.642 576 HG2 ARG 74 HG1 ARG 74 11.809 0.829 10.560 577 HG3 ARG 74 HG2 ARG 74 12.424 2.348 9.915 578 HD2 ARG 74 HD1 ARG 74 10.352 3.175 9.465 579 HD3 ARG 74 HD2 ARG 74 9.693 1.574 9.109 580 HE ARG 74 HE ARG 74 10.374 2.046 11.920 581 HH11 ARG 74 HH12 ARG 74 7.677 2.184 9.560 582 HH12 ARG 74 HH11 ARG 74 6.510 2.167 10.853 583 HH21 ARG 74 HH22 ARG 74 8.693 1.931 13.465 584 HH22 ARG 74 HH21 ARG 74 7.048 1.880 12.909 585 H VAL 75 H VAL 75 10.359 1.770 5.898 586 HA VAL 75 HA VAL 75 9.611 4.622 6.350 587 HB VAL 75 HB VAL 75 10.227 3.395 3.611 588 HG11 VAL 75 HG11 VAL 75 9.162 6.166 4.327 589 HG12 VAL 75 HG12 VAL 75 9.812 5.733 2.731 590 HG13 VAL 75 HG13 VAL 75 8.370 4.928 3.319 591 HG21 VAL 75 HG21 VAL 75 11.674 5.647 5.070 592 HG22 VAL 75 HG22 VAL 75 12.336 4.045 4.677 593 HG23 VAL 75 HG23 VAL 75 11.961 5.171 3.384 594 H GLU 76 H GLU 76 7.251 4.922 5.639 595 HA GLU 76 HA GLU 76 5.929 2.334 4.932 596 HB2 GLU 76 HB1 GLU 76 4.011 3.991 6.123 597 HB3 GLU 76 HB2 GLU 76 4.644 2.422 6.667 598 HG2 GLU 76 HG1 GLU 76 4.785 3.897 8.498 599 HG3 GLU 76 HG2 GLU 76 6.436 3.672 7.927 600 H LEU 77 H LEU 77 4.163 2.257 3.730 601 HA LEU 77 HA LEU 77 3.439 4.287 1.764 602 HB2 LEU 77 HB1 LEU 77 2.290 1.671 2.752 603 HB3 LEU 77 HB2 LEU 77 1.295 2.795 1.785 604 HG LEU 77 HG LEU 77 3.123 2.726 0.037 605 HD11 LEU 77 HD11 LEU 77 4.995 1.709 1.256 606 HD12 LEU 77 HD12 LEU 77 4.468 0.588 -0.015 607 HD13 LEU 77 HD13 LEU 77 3.996 0.294 1.664 608 HD21 LEU 77 HD21 LEU 77 0.982 1.572 -0.205 609 HD22 LEU 77 HD22 LEU 77 1.626 0.158 0.647 610 HD23 LEU 77 HD23 LEU 77 2.288 0.651 -0.938 611 H LYS 78 H LYS 78 3.343 6.067 2.918 612 HA LYS 78 HA LYS 78 2.587 6.632 5.354 613 HB2 LYS 78 HB1 LYS 78 3.537 8.063 3.459 614 HB3 LYS 78 HB2 LYS 78 1.869 8.479 3.033 615 HG2 LYS 78 HG1 LYS 78 2.849 10.267 4.286 616 HG3 LYS 78 HG2 LYS 78 1.585 9.517 5.269 617 HD2 LYS 78 HD1 LYS 78 3.664 10.162 6.521 618 HD3 LYS 78 HD2 LYS 78 3.247 8.444 6.675 619 HE2 LYS 78 HE1 LYS 78 4.954 7.929 4.919 620 HE3 LYS 78 HE2 LYS 78 5.438 9.622 4.902 621 HZ1 LYS 78 HZ1 LYS 78 6.728 8.028 6.419 622 HZ2 LYS 78 HZ2 LYS 78 5.447 7.851 7.281 623 HZ3 LYS 78 HZ3 LYS 78 6.138 9.365 7.232 624 HA PRO 79 HA PRO 79 -1.696 5.517 5.606 625 HB2 PRO 79 HB1 PRO 79 -2.437 6.625 8.049 626 HB3 PRO 79 HB2 PRO 79 -1.599 5.065 7.777 627 HG2 PRO 79 HG1 PRO 79 -0.382 7.751 8.434 628 HG3 PRO 79 HG2 PRO 79 0.014 6.146 9.143 629 HD2 PRO 79 HD1 PRO 79 1.557 7.224 7.198 630 HD3 PRO 79 HD2 PRO 79 1.170 5.478 7.173 631 H GLY 80 H GLY 80 -0.916 8.897 5.392 632 HA2 GLY 80 HA3 GLY 80 -3.722 9.456 4.548 633 HA3 GLY 80 HA2 GLY 80 -2.576 10.699 5.101 634 H GLY 81 H GLY 81 -0.891 8.532 3.158 635 HA2 GLY 81 HA3 GLY 81 -1.046 10.354 0.800 636 HA3 GLY 81 HA2 GLY 81 0.498 9.930 1.574 637 H TYR 82 H TYR 82 1.535 8.064 0.963 638 HA TYR 82 HA TYR 82 0.590 6.755 -1.430 639 HB2 TYR 82 HB1 TYR 82 2.933 6.180 0.387 640 HB3 TYR 82 HB2 TYR 82 2.592 5.280 -1.105 641 HD1 TYR 82 HD2 TYR 82 3.679 8.548 0.275 642 HD2 TYR 82 HD1 TYR 82 2.906 6.246 -3.285 643 HE1 TYR 82 HE2 TYR 82 4.750 10.320 -1.115 644 HE2 TYR 82 HE1 TYR 82 4.056 7.946 -4.647 645 HH TYR 82 HH TYR 82 4.862 10.109 -4.673 646 H HIS 83 H HIS 83 -0.129 4.770 -1.817 647 HA HIS 83 HA HIS 83 -0.699 2.811 0.268 648 HB2 HIS 83 HB1 HIS 83 -3.102 2.979 0.220 649 HB3 HIS 83 HB2 HIS 83 -2.367 4.462 0.832 650 HD1 HIS 83 HD1 HIS 83 -2.523 6.638 -0.927 651 HD2 HIS 83 HD2 HIS 83 -4.456 3.060 -2.056 652 HE1 HIS 83 HE1 HIS 83 -3.915 7.188 -2.977 653 H PHE 84 H PHE 84 -1.458 0.817 -0.629 654 HA PHE 84 HA PHE 84 -1.347 0.553 -3.600 655 HB2 PHE 84 HB1 PHE 84 -1.681 -1.394 -1.291 656 HB3 PHE 84 HB2 PHE 84 -1.977 -1.856 -2.981 657 HD1 PHE 84 HD1 PHE 84 -0.052 -1.411 -4.679 658 HD2 PHE 84 HD2 PHE 84 0.482 -1.641 -0.407 659 HE1 PHE 84 HE1 PHE 84 2.335 -1.948 -5.005 660 HE2 PHE 84 HE2 PHE 84 2.871 -2.185 -0.730 661 HZ PHE 84 HZ PHE 84 3.818 -2.297 -3.016 662 H MET 85 H MET 85 -3.259 0.589 -4.760 663 HA MET 85 HA MET 85 -5.929 0.573 -3.445 664 HB2 MET 85 HB1 MET 85 -5.064 1.829 -5.688 665 HB3 MET 85 HB2 MET 85 -5.733 0.342 -6.381 666 HG2 MET 85 HG1 MET 85 -7.531 1.906 -6.300 667 HG3 MET 85 HG2 MET 85 -7.827 0.766 -4.983 668 HE1 MET 85 HE1 MET 85 -9.592 3.216 -4.772 669 HE2 MET 85 HE2 MET 85 -9.374 2.054 -3.446 670 HE3 MET 85 HE3 MET 85 -9.269 3.796 -3.117 671 H LEU 86 H LEU 86 -7.128 -1.298 -3.330 672 HA LEU 86 HA LEU 86 -6.050 -3.800 -4.608 673 HB2 LEU 86 HB1 LEU 86 -7.599 -3.311 -2.049 674 HB3 LEU 86 HB2 LEU 86 -7.512 -4.908 -2.850 675 HG LEU 86 HG LEU 86 -5.100 -4.990 -2.492 676 HD11 LEU 86 HD11 LEU 86 -5.444 -2.354 -0.984 677 HD12 LEU 86 HD12 LEU 86 -4.415 -2.639 -2.406 678 HD13 LEU 86 HD13 LEU 86 -4.019 -3.410 -0.880 679 HD21 LEU 86 HD21 LEU 86 -6.707 -5.901 -0.829 680 HD22 LEU 86 HD22 LEU 86 -6.734 -4.334 0.002 681 HD23 LEU 86 HD23 LEU 86 -5.243 -5.304 -0.028 682 H LEU 87 H LEU 87 -7.266 -4.707 -6.141 683 HA LEU 87 HA LEU 87 -10.068 -3.710 -6.546 684 HB2 LEU 87 HB1 LEU 87 -7.837 -4.417 -8.470 685 HB3 LEU 87 HB2 LEU 87 -9.524 -4.256 -8.993 686 HG LEU 87 HG LEU 87 -8.211 -2.330 -9.598 687 HD11 LEU 87 HD11 LEU 87 -10.617 -2.010 -9.036 688 HD12 LEU 87 HD12 LEU 87 -9.641 -0.557 -8.751 689 HD13 LEU 87 HD13 LEU 87 -10.145 -1.552 -7.376 690 HD21 LEU 87 HD21 LEU 87 -7.157 -0.818 -8.115 691 HD22 LEU 87 HD22 LEU 87 -6.593 -2.429 -7.629 692 HD23 LEU 87 HD23 LEU 87 -7.854 -1.593 -6.685 693 H GLY 88 H GLY 88 -11.604 -5.200 -6.527 694 HA2 GLY 88 HA3 GLY 88 -12.740 -7.118 -7.173 695 HA3 GLY 88 HA2 GLY 88 -11.239 -7.718 -7.914 696 H LEU 89 H LEU 89 -12.230 -7.003 -4.553 697 HA LEU 89 HA LEU 89 -10.801 -9.048 -3.349 698 HB2 LEU 89 HB1 LEU 89 -12.151 -8.635 -1.346 699 HB3 LEU 89 HB2 LEU 89 -11.399 -7.213 -2.089 700 HG LEU 89 HG LEU 89 -13.590 -6.524 -2.964 701 HD11 LEU 89 HD11 LEU 89 -14.816 -8.542 -3.322 702 HD12 LEU 89 HD12 LEU 89 -15.684 -7.622 -2.102 703 HD13 LEU 89 HD13 LEU 89 -14.691 -9.007 -1.610 704 HD21 LEU 89 HD21 LEU 89 -13.534 -7.092 0.014 705 HD22 LEU 89 HD22 LEU 89 -14.665 -5.998 -0.765 706 HD23 LEU 89 HD23 LEU 89 -12.926 -5.648 -0.823 707 H LYS 90 H LYS 90 -11.305 -10.623 -1.979 708 HA LYS 90 HA LYS 90 -13.033 -12.696 -3.307 709 HB2 LYS 90 HB1 LYS 90 -10.459 -13.089 -1.787 710 HB3 LYS 90 HB2 LYS 90 -11.344 -14.308 -2.732 711 HG2 LYS 90 HG1 LYS 90 -9.957 -11.827 -3.836 712 HG3 LYS 90 HG2 LYS 90 -9.384 -13.517 -3.919 713 HD2 LYS 90 HD1 LYS 90 -11.375 -14.092 -5.297 714 HD3 LYS 90 HD2 LYS 90 -11.819 -12.368 -5.320 715 HE2 LYS 90 HE1 LYS 90 -9.839 -11.757 -6.487 716 HE3 LYS 90 HE2 LYS 90 -9.064 -13.325 -6.178 717 HZ1 LYS 90 HZ1 LYS 90 -10.884 -14.271 -7.655 718 HZ2 LYS 90 HZ2 LYS 90 -9.789 -13.302 -8.395 719 HZ3 LYS 90 HZ3 LYS 90 -11.206 -12.702 -8.121 720 H ARG 91 H ARG 91 -12.186 -11.291 -0.317 721 HA ARG 91 HA ARG 91 -14.528 -12.474 1.098 722 HB2 ARG 91 HB1 ARG 91 -11.982 -11.270 2.272 723 HB3 ARG 91 HB2 ARG 91 -13.360 -11.847 3.215 724 HG2 ARG 91 HG1 ARG 91 -11.545 -13.599 1.507 725 HG3 ARG 91 HG2 ARG 91 -11.403 -13.346 3.277 726 HD2 ARG 91 HD1 ARG 91 -12.540 -15.366 3.138 727 HD3 ARG 91 HD2 ARG 91 -13.822 -14.165 3.392 728 HE ARG 91 HE ARG 91 -13.636 -14.408 0.646 729 HH11 ARG 91 HH12 ARG 91 -14.284 -16.777 3.172 730 HH12 ARG 91 HH11 ARG 91 -15.216 -17.784 2.103 731 HH21 ARG 91 HH22 ARG 91 -14.805 -15.626 -0.637 732 HH22 ARG 91 HH21 ARG 91 -15.510 -17.136 -0.106 733 HA PRO 92 HA PRO 92 -15.388 -7.919 1.209 734 HB2 PRO 92 HB1 PRO 92 -17.228 -7.763 3.200 735 HB3 PRO 92 HB2 PRO 92 -17.635 -8.432 1.590 736 HG2 PRO 92 HG1 PRO 92 -16.911 -9.946 4.111 737 HG3 PRO 92 HG2 PRO 92 -18.272 -10.266 2.977 738 HD2 PRO 92 HD1 PRO 92 -15.863 -11.619 2.890 739 HD3 PRO 92 HD2 PRO 92 -16.840 -11.297 1.431 740 H LEU 93 H LEU 93 -14.390 -6.258 2.466 741 HA LEU 93 HA LEU 93 -12.646 -7.285 4.662 742 HB2 LEU 93 HB1 LEU 93 -12.457 -5.077 2.640 743 HB3 LEU 93 HB2 LEU 93 -11.639 -4.904 4.226 744 HG LEU 93 HG LEU 93 -10.489 -7.085 3.819 745 HD11 LEU 93 HD11 LEU 93 -11.540 -6.689 0.986 746 HD12 LEU 93 HD12 LEU 93 -11.913 -8.055 2.075 747 HD13 LEU 93 HD13 LEU 93 -10.280 -7.831 1.456 748 HD21 LEU 93 HD21 LEU 93 -9.972 -4.838 1.824 749 HD22 LEU 93 HD22 LEU 93 -8.812 -6.098 2.309 750 HD23 LEU 93 HD23 LEU 93 -9.384 -4.919 3.501 751 H LYS 94 H LYS 94 -14.079 -7.363 6.342 752 HA LYS 94 HA LYS 94 -15.335 -4.850 7.265 753 HB2 LYS 94 HB1 LYS 94 -16.044 -6.096 9.230 754 HB3 LYS 94 HB2 LYS 94 -16.529 -6.914 7.728 755 HG2 LYS 94 HG1 LYS 94 -14.756 -8.534 7.971 756 HG3 LYS 94 HG2 LYS 94 -14.061 -7.659 9.336 757 HD2 LYS 94 HD1 LYS 94 -16.898 -8.451 9.660 758 HD3 LYS 94 HD2 LYS 94 -15.750 -9.805 9.509 759 HE2 LYS 94 HE1 LYS 94 -15.711 -7.611 11.617 760 HE3 LYS 94 HE2 LYS 94 -16.171 -9.317 11.843 761 HZ1 LYS 94 HZ1 LYS 94 -13.905 -9.141 12.546 762 HZ2 LYS 94 HZ2 LYS 94 -13.509 -8.213 11.258 763 HZ3 LYS 94 HZ3 LYS 94 -13.800 -9.781 11.028 764 H ALA 95 H ALA 95 -14.830 -4.448 9.770 765 HA ALA 95 HA ALA 95 -11.967 -3.816 10.089 766 HB1 ALA 95 HB1 ALA 95 -14.404 -3.304 11.875 767 HB2 ALA 95 HB2 ALA 95 -12.749 -2.730 12.154 768 HB3 ALA 95 HB3 ALA 95 -13.662 -2.114 10.771 769 H GLY 96 H GLY 96 -10.873 -4.758 11.788 770 HA2 GLY 96 HA3 GLY 96 -10.064 -6.479 13.066 771 HA3 GLY 96 HA2 GLY 96 -11.760 -6.871 13.428 772 H GLU 97 H GLU 97 -10.299 -7.082 10.166 773 HA GLU 97 HA GLU 97 -10.180 -10.065 10.402 774 HB2 GLU 97 HB1 GLU 97 -9.730 -8.441 7.896 775 HB3 GLU 97 HB2 GLU 97 -9.894 -10.197 8.020 776 HG2 GLU 97 HG1 GLU 97 -12.143 -8.263 8.612 777 HG3 GLU 97 HG2 GLU 97 -11.826 -8.963 7.011 778 H GLU 98 H GLU 98 -8.107 -10.806 9.097 779 HA GLU 98 HA GLU 98 -5.781 -9.105 9.327 780 HB2 GLU 98 HB1 GLU 98 -5.940 -11.892 10.547 781 HB3 GLU 98 HB2 GLU 98 -4.427 -11.036 10.132 782 HG2 GLU 98 HG1 GLU 98 -5.257 -9.175 11.698 783 HG3 GLU 98 HG2 GLU 98 -6.452 -10.337 12.286 784 H VAL 99 H VAL 99 -4.780 -9.302 7.485 785 HA VAL 99 HA VAL 99 -4.997 -11.660 5.746 786 HB VAL 99 HB VAL 99 -5.974 -9.001 4.611 787 HG11 VAL 99 HG11 VAL 99 -5.803 -11.878 3.639 788 HG12 VAL 99 HG12 VAL 99 -6.849 -10.703 2.856 789 HG13 VAL 99 HG13 VAL 99 -5.106 -10.414 2.896 790 HG21 VAL 99 HG21 VAL 99 -8.253 -9.867 4.507 791 HG22 VAL 99 HG22 VAL 99 -7.780 -11.317 5.409 792 HG23 VAL 99 HG23 VAL 99 -7.746 -9.715 6.183 793 H GLU 100 H GLU 100 -3.253 -11.848 4.340 794 HA GLU 100 HA GLU 100 -1.061 -10.046 4.880 795 HB2 GLU 100 HB1 GLU 100 -1.121 -12.126 2.692 796 HB3 GLU 100 HB2 GLU 100 0.295 -11.464 3.535 797 HG2 GLU 100 HG1 GLU 100 0.213 -13.349 4.753 798 HG3 GLU 100 HG2 GLU 100 -1.129 -12.608 5.621 799 H LEU 101 H LEU 101 0.190 -8.878 3.511 800 HA LEU 101 HA LEU 101 -0.615 -8.709 0.677 801 HB2 LEU 101 HB1 LEU 101 0.295 -6.441 2.411 802 HB3 LEU 101 HB2 LEU 101 1.019 -6.589 0.771 803 HG LEU 101 HG LEU 101 -1.390 -6.774 -0.084 804 HD11 LEU 101 HD11 LEU 101 -1.981 -5.448 2.599 805 HD12 LEU 101 HD12 LEU 101 -2.569 -7.038 2.084 806 HD13 LEU 101 HD13 LEU 101 -3.112 -5.589 1.238 807 HD21 LEU 101 HD21 LEU 101 -1.616 -4.428 -0.399 808 HD22 LEU 101 HD22 LEU 101 0.116 -4.798 -0.418 809 HD23 LEU 101 HD23 LEU 101 -0.632 -4.072 1.023 810 H ASP 102 H ASP 102 0.821 -9.376 -0.711 811 HA ASP 102 HA ASP 102 3.567 -10.192 0.024 812 HB2 ASP 102 HB1 ASP 102 2.215 -10.040 -2.670 813 HB3 ASP 102 HB2 ASP 102 3.838 -10.671 -2.331 814 H LEU 103 H LEU 103 5.396 -9.041 -0.819 815 HA LEU 103 HA LEU 103 4.893 -6.358 -2.033 816 HB2 LEU 103 HB1 LEU 103 6.899 -7.179 0.092 817 HB3 LEU 103 HB2 LEU 103 6.971 -5.666 -0.859 818 HG LEU 103 HG LEU 103 4.547 -5.285 0.070 819 HD11 LEU 103 HD11 LEU 103 4.116 -7.366 1.252 820 HD12 LEU 103 HD12 LEU 103 4.333 -6.107 2.453 821 HD13 LEU 103 HD13 LEU 103 5.662 -7.245 2.118 822 HD21 LEU 103 HD21 LEU 103 5.584 -4.149 2.063 823 HD22 LEU 103 HD22 LEU 103 6.456 -3.857 0.556 824 HD23 LEU 103 HD23 LEU 103 7.086 -5.027 1.744 825 H LEU 104 H LEU 104 5.850 -6.032 -3.882 826 HA LEU 104 HA LEU 104 7.720 -8.082 -4.995 827 HB2 LEU 104 HB1 LEU 104 5.727 -6.185 -6.290 828 HB3 LEU 104 HB2 LEU 104 6.703 -7.331 -7.180 829 HG LEU 104 HG LEU 104 4.421 -7.883 -5.240 830 HD11 LEU 104 HD11 LEU 104 4.804 -8.545 -8.192 831 HD12 LEU 104 HD12 LEU 104 3.775 -7.256 -7.532 832 HD13 LEU 104 HD13 LEU 104 3.381 -8.950 -7.209 833 HD21 LEU 104 HD21 LEU 104 4.717 -10.282 -5.657 834 HD22 LEU 104 HD22 LEU 104 6.120 -9.630 -4.823 835 HD23 LEU 104 HD23 LEU 104 6.211 -9.956 -6.573 836 H PHE 105 H PHE 105 9.741 -7.439 -5.088 837 HA PHE 105 HA PHE 105 10.394 -4.545 -5.304 838 HB2 PHE 105 HB1 PHE 105 11.899 -6.901 -4.157 839 HB3 PHE 105 HB2 PHE 105 12.525 -5.247 -4.251 840 HD1 PHE 105 HD1 PHE 105 11.350 -3.408 -2.992 841 HD2 PHE 105 HD2 PHE 105 10.311 -7.561 -2.463 842 HE1 PHE 105 HE1 PHE 105 10.345 -2.881 -0.802 843 HE2 PHE 105 HE2 PHE 105 9.276 -7.027 -0.289 844 HZ PHE 105 HZ PHE 105 9.330 -4.703 0.581 845 H ALA 106 H ALA 106 11.341 -3.851 -7.088 846 HA ALA 106 HA ALA 106 12.222 -3.765 -9.196 847 HB1 ALA 106 HB1 ALA 106 14.577 -4.409 -9.210 848 HB2 ALA 106 HB2 ALA 106 14.145 -3.704 -7.641 849 HB3 ALA 106 HB3 ALA 106 14.327 -5.473 -7.814 850 H GLY 107 H GLY 107 10.266 -5.836 -9.036 851 HA2 GLY 107 HA3 GLY 107 9.393 -7.324 -10.629 852 HA3 GLY 107 HA2 GLY 107 11.016 -7.535 -11.324 853 H GLY 108 H GLY 108 12.613 -8.685 -9.855 854 HA2 GLY 108 HA3 GLY 108 11.397 -11.276 -9.611 855 HA3 GLY 108 HA2 GLY 108 13.131 -10.897 -9.501 856 H LYS 109 H LYS 109 12.487 -9.066 -7.052 857 HA LYS 109 HA LYS 109 12.736 -11.306 -5.120 858 HB2 LYS 109 HB1 LYS 109 13.382 -8.383 -5.072 859 HB3 LYS 109 HB2 LYS 109 13.007 -9.205 -3.531 860 HG2 LYS 109 HG1 LYS 109 14.729 -10.852 -3.914 861 HG3 LYS 109 HG2 LYS 109 15.036 -10.226 -5.547 862 HD2 LYS 109 HD1 LYS 109 16.792 -9.497 -4.005 863 HD3 LYS 109 HD2 LYS 109 15.852 -8.096 -4.557 864 HE2 LYS 109 HE1 LYS 109 14.621 -8.053 -2.437 865 HE3 LYS 109 HE2 LYS 109 15.374 -9.581 -1.927 866 HZ1 LYS 109 HZ1 LYS 109 16.433 -7.671 -0.896 867 HZ2 LYS 109 HZ2 LYS 109 16.785 -7.000 -2.348 868 HZ3 LYS 109 HZ3 LYS 109 17.503 -8.406 -1.896 869 H VAL 110 H VAL 110 10.959 -12.200 -4.523 870 HA VAL 110 HA VAL 110 8.541 -10.625 -3.796 871 HB VAL 110 HB VAL 110 8.950 -13.646 -3.962 872 HG11 VAL 110 HG11 VAL 110 6.365 -12.051 -3.577 873 HG12 VAL 110 HG12 VAL 110 6.483 -13.808 -3.845 874 HG13 VAL 110 HG13 VAL 110 7.125 -13.108 -2.369 875 HG21 VAL 110 HG21 VAL 110 7.529 -13.529 -5.988 876 HG22 VAL 110 HG22 VAL 110 7.528 -11.756 -5.880 877 HG23 VAL 110 HG23 VAL 110 9.037 -12.635 -6.197 878 H LEU 111 H LEU 111 7.918 -10.293 -1.745 879 HA LEU 111 HA LEU 111 8.699 -12.161 0.408 880 HB2 LEU 111 HB1 LEU 111 9.003 -9.132 0.565 881 HB3 LEU 111 HB2 LEU 111 8.957 -10.222 1.980 882 HG LEU 111 HG LEU 111 10.977 -11.397 0.679 883 HD11 LEU 111 HD11 LEU 111 11.347 -8.468 -0.108 884 HD12 LEU 111 HD12 LEU 111 10.958 -9.747 -1.267 885 HD13 LEU 111 HD13 LEU 111 12.485 -9.799 -0.381 886 HD21 LEU 111 HD21 LEU 111 11.250 -8.859 2.344 887 HD22 LEU 111 HD22 LEU 111 12.527 -10.065 2.067 888 HD23 LEU 111 HD23 LEU 111 11.071 -10.514 2.964 889 H LYS 112 H LYS 112 7.192 -11.632 2.421 890 HA LYS 112 HA LYS 112 4.626 -10.419 1.714 891 HB2 LYS 112 HB1 LYS 112 4.471 -12.757 0.799 892 HB3 LYS 112 HB2 LYS 112 4.752 -13.396 2.425 893 HG2 LYS 112 HG1 LYS 112 2.674 -12.359 3.214 894 HG3 LYS 112 HG2 LYS 112 2.446 -11.587 1.617 895 HD2 LYS 112 HD1 LYS 112 0.936 -13.331 1.620 896 HD3 LYS 112 HD2 LYS 112 2.281 -13.917 0.635 897 HE2 LYS 112 HE1 LYS 112 3.032 -15.369 2.408 898 HE3 LYS 112 HE2 LYS 112 1.960 -14.566 3.591 899 HZ1 LYS 112 HZ1 LYS 112 0.909 -16.014 1.237 900 HZ2 LYS 112 HZ2 LYS 112 0.084 -15.463 2.546 901 HZ3 LYS 112 HZ3 LYS 112 1.087 -16.715 2.735 902 H VAL 113 H VAL 113 3.384 -9.767 3.449 903 HA VAL 113 HA VAL 113 4.286 -10.574 6.180 904 HB VAL 113 HB VAL 113 3.473 -7.720 5.722 905 HG11 VAL 113 HG11 VAL 113 3.506 -8.469 8.045 906 HG12 VAL 113 HG12 VAL 113 5.160 -9.089 7.859 907 HG13 VAL 113 HG13 VAL 113 4.832 -7.346 7.790 908 HG21 VAL 113 HG21 VAL 113 5.472 -7.966 4.260 909 HG22 VAL 113 HG22 VAL 113 5.881 -7.022 5.690 910 HG23 VAL 113 HG23 VAL 113 6.366 -8.728 5.591 911 H VAL 114 H VAL 114 2.691 -10.247 7.778 912 HA VAL 114 HA VAL 114 -0.106 -10.646 6.794 913 HB VAL 114 HB VAL 114 1.007 -11.345 9.543 914 HG11 VAL 114 HG11 VAL 114 -1.437 -10.963 9.516 915 HG12 VAL 114 HG12 VAL 114 -1.616 -12.067 8.136 916 HG13 VAL 114 HG13 VAL 114 -1.100 -12.683 9.721 917 HG21 VAL 114 HG21 VAL 114 0.546 -13.219 7.186 918 HG22 VAL 114 HG22 VAL 114 2.110 -12.815 7.925 919 HG23 VAL 114 HG23 VAL 114 0.909 -13.719 8.848 920 H LEU 115 H LEU 115 -1.630 -9.137 7.423 921 HA LEU 115 HA LEU 115 -0.848 -6.969 9.311 922 HB2 LEU 115 HB1 LEU 115 -2.000 -6.607 6.519 923 HB3 LEU 115 HB2 LEU 115 -1.643 -5.310 7.666 924 HG LEU 115 HG LEU 115 0.435 -7.114 6.328 925 HD11 LEU 115 HD11 LEU 115 0.948 -5.117 4.971 926 HD12 LEU 115 HD12 LEU 115 -0.413 -4.251 5.726 927 HD13 LEU 115 HD13 LEU 115 -0.711 -5.678 4.711 928 HD21 LEU 115 HD21 LEU 115 0.812 -4.553 7.936 929 HD22 LEU 115 HD22 LEU 115 2.090 -5.488 7.142 930 HD23 LEU 115 HD23 LEU 115 1.216 -6.160 8.524 931 HA PRO 116 HA PRO 116 -5.268 -7.398 10.335 932 HB2 PRO 116 HB1 PRO 116 -5.690 -5.028 11.637 933 HB3 PRO 116 HB2 PRO 116 -4.887 -6.449 12.374 934 HG2 PRO 116 HG1 PRO 116 -3.581 -4.045 11.068 935 HG3 PRO 116 HG2 PRO 116 -3.190 -4.789 12.661 936 HD2 PRO 116 HD1 PRO 116 -1.739 -5.385 10.448 937 HD3 PRO 116 HD2 PRO 116 -2.170 -6.664 11.626 938 H VAL 117 H VAL 117 -7.261 -6.421 9.784 939 HA VAL 117 HA VAL 117 -7.176 -4.228 7.715 940 HB VAL 117 HB VAL 117 -9.397 -6.262 8.162 941 HG11 VAL 117 HG11 VAL 117 -9.008 -4.217 5.927 942 HG12 VAL 117 HG12 VAL 117 -10.342 -5.374 6.086 943 HG13 VAL 117 HG13 VAL 117 -10.165 -4.067 7.262 944 HG21 VAL 117 HG21 VAL 117 -8.721 -7.182 5.919 945 HG22 VAL 117 HG22 VAL 117 -7.258 -6.179 5.983 946 HG23 VAL 117 HG23 VAL 117 -7.515 -7.459 7.179 947 H GLU 118 H GLU 118 -7.969 -2.315 8.468 948 HA GLU 118 HA GLU 118 -9.962 -2.174 10.607 949 HB2 GLU 118 HB1 GLU 118 -7.075 -1.365 10.959 950 HB3 GLU 118 HB2 GLU 118 -8.344 -0.358 11.703 951 HG2 GLU 118 HG1 GLU 118 -7.902 -3.314 12.227 952 HG3 GLU 118 HG2 GLU 118 -7.461 -1.971 13.306 953 H ALA 119 H ALA 119 -10.784 0.001 10.895 954 HA ALA 119 HA ALA 119 -11.113 1.090 8.184 955 HB1 ALA 119 HB1 ALA 119 -13.065 0.290 9.444 956 HB2 ALA 119 HB2 ALA 119 -12.746 1.498 10.718 957 HB3 ALA 119 HB3 ALA 119 -13.194 2.021 9.077 958 H ARG 120 H ARG 120 -10.883 3.154 7.555 959 HA ARG 120 HA ARG 120 -10.742 5.413 9.220 960 HB2 ARG 120 HB1 ARG 120 -8.512 6.218 8.970 961 HB3 ARG 120 HB2 ARG 120 -8.419 4.623 9.721 962 HG2 ARG 120 HG1 ARG 120 -7.547 3.627 7.771 963 HG3 ARG 120 HG2 ARG 120 -8.013 4.949 6.705 964 HD2 ARG 120 HD1 ARG 120 -6.234 5.709 8.960 965 HD3 ARG 120 HD2 ARG 120 -5.541 4.601 7.737 966 HE ARG 120 HE ARG 120 -5.123 6.416 6.501 967 HH11 ARG 120 HH12 ARG 120 -8.409 7.297 7.410 968 HH12 ARG 120 HH11 ARG 120 -8.047 8.960 7.325 969 HH21 ARG 120 HH22 ARG 120 -4.917 8.448 6.073 970 HH22 ARG 120 HH21 ARG 120 -6.199 9.607 6.412 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 14.177 -9.234 11.279 2 H2 GLY 1 2H GLY 1 15.381 -10.221 11.859 3 H3 GLY 1 3H GLY 1 15.682 -8.632 11.502 4 HA2 GLY 1 HA3 GLY 1 13.893 -9.550 13.654 5 HA3 GLY 1 HA2 GLY 1 15.520 -8.868 13.880 6 H SER 2 H SER 2 12.198 -8.117 13.569 7 HA SER 2 HA SER 2 12.140 -5.462 12.603 8 HB2 SER 2 HB1 SER 2 11.585 -6.336 10.189 9 HB3 SER 2 HB2 SER 2 13.272 -6.004 10.639 10 HG SER 2 HG SER 2 12.454 -8.074 9.533 11 H PHE 3 H PHE 3 9.937 -5.078 11.560 12 HA PHE 3 HA PHE 3 7.853 -7.017 12.194 13 HB2 PHE 3 HB1 PHE 3 6.852 -5.938 14.002 14 HB3 PHE 3 HB2 PHE 3 8.554 -6.065 14.426 15 HD1 PHE 3 HD2 PHE 3 9.885 -3.720 13.389 16 HD2 PHE 3 HD1 PHE 3 5.843 -4.059 14.880 17 HE1 PHE 3 HE2 PHE 3 9.880 -1.316 13.932 18 HE2 PHE 3 HE1 PHE 3 5.860 -1.652 15.448 19 HZ PHE 3 HZ PHE 3 7.860 -0.272 14.968 20 H THR 4 H THR 4 5.817 -6.536 11.498 21 HA THR 4 HA THR 4 5.815 -4.679 9.193 22 HB THR 4 HB THR 4 4.145 -6.233 8.284 23 HG1 THR 4 HG1 THR 4 3.279 -6.838 10.257 24 HG21 THR 4 HG21 THR 4 6.633 -7.645 9.367 25 HG22 THR 4 HG22 THR 4 6.506 -6.732 7.847 26 HG23 THR 4 HG23 THR 4 5.582 -8.233 8.080 27 H GLU 5 H GLU 5 5.323 -3.016 11.015 28 HA GLU 5 HA GLU 5 2.621 -2.954 12.013 29 HB2 GLU 5 HB1 GLU 5 4.528 -2.095 13.260 30 HB3 GLU 5 HB2 GLU 5 4.768 -0.802 12.084 31 HG2 GLU 5 HG1 GLU 5 2.838 0.342 12.782 32 HG3 GLU 5 HG2 GLU 5 2.064 -1.134 13.406 33 H GLY 6 H GLY 6 1.496 -3.230 9.996 34 HA2 GLY 6 HA3 GLY 6 0.588 -0.590 9.011 35 HA3 GLY 6 HA2 GLY 6 1.081 -1.787 7.792 36 H TRP 7 H TRP 7 -1.398 -1.059 7.463 37 HA TRP 7 HA TRP 7 -2.924 -3.451 8.210 38 HB2 TRP 7 HB1 TRP 7 -4.793 -2.386 9.126 39 HB3 TRP 7 HB2 TRP 7 -3.394 -1.808 10.024 40 HD1 TRP 7 HD TRP 7 -6.422 -0.667 8.236 41 HE1 TRP 7 HE1 TRP 7 -6.616 1.862 8.352 42 HE3 TRP 7 3HE TRP 7 -1.643 0.434 9.719 43 HZ2 TRP 7 HZ2 TRP 7 -4.894 4.122 8.938 44 HZ3 TRP 7 HZ3 TRP 7 -0.953 2.785 10.063 45 HH2 TRP 7 HH TRP 7 -2.571 4.633 9.710 46 H VAL 8 H VAL 8 -4.885 -3.734 6.966 47 HA VAL 8 HA VAL 8 -4.751 -2.391 4.283 48 HB VAL 8 HB VAL 8 -6.151 -4.969 5.048 49 HG11 VAL 8 HG11 VAL 8 -6.425 -5.274 2.594 50 HG12 VAL 8 HG12 VAL 8 -7.277 -3.836 3.154 51 HG13 VAL 8 HG13 VAL 8 -5.718 -3.670 2.314 52 HG21 VAL 8 HG21 VAL 8 -4.357 -5.989 3.555 53 HG22 VAL 8 HG22 VAL 8 -3.528 -4.422 3.593 54 HG23 VAL 8 HG23 VAL 8 -3.764 -5.356 5.090 55 H ARG 9 H ARG 9 -6.660 -1.334 3.475 56 HA ARG 9 HA ARG 9 -8.268 -0.169 5.594 57 HB2 ARG 9 HB1 ARG 9 -7.502 1.071 3.536 58 HB3 ARG 9 HB2 ARG 9 -8.670 0.116 2.599 59 HG2 ARG 9 HG1 ARG 9 -10.196 1.084 4.724 60 HG3 ARG 9 HG2 ARG 9 -9.104 2.440 4.406 61 HD2 ARG 9 HD1 ARG 9 -9.885 2.648 2.146 62 HD3 ARG 9 HD2 ARG 9 -10.694 1.065 2.218 63 HE ARG 9 HE ARG 9 -11.691 3.009 4.185 64 HH11 ARG 9 HH12 ARG 9 -12.424 1.280 1.231 65 HH12 ARG 9 HH11 ARG 9 -14.044 1.881 1.182 66 HH21 ARG 9 HH22 ARG 9 -13.655 3.628 4.180 67 HH22 ARG 9 HH21 ARG 9 -14.775 3.289 2.861 68 H PHE 10 H PHE 10 -10.034 -0.928 6.374 69 HA PHE 10 HA PHE 10 -11.959 -2.778 5.753 70 HB2 PHE 10 HB1 PHE 10 -12.162 -1.406 7.678 71 HB3 PHE 10 HB2 PHE 10 -11.979 0.083 6.704 72 HD1 PHE 10 HD1 PHE 10 -14.364 -2.479 7.852 73 HD2 PHE 10 HD2 PHE 10 -13.821 1.099 5.536 74 HE1 PHE 10 HE1 PHE 10 -16.835 -2.246 7.641 75 HE2 PHE 10 HE2 PHE 10 -16.266 1.314 5.273 76 HZ PHE 10 HZ PHE 10 -17.792 -0.352 6.337 77 H SER 11 H SER 11 -13.808 -2.907 4.408 78 HA SER 11 HA SER 11 -14.700 -0.566 3.004 79 HB2 SER 11 HB1 SER 11 -12.814 -1.614 1.535 80 HB3 SER 11 HB2 SER 11 -13.998 -2.879 1.162 81 HG SER 11 HG SER 11 -14.037 -1.148 -0.323 82 HA PRO 12 HA PRO 12 -18.392 -3.189 3.153 83 HB2 PRO 12 HB1 PRO 12 -20.264 -1.503 2.213 84 HB3 PRO 12 HB2 PRO 12 -19.426 -1.154 3.755 85 HG2 PRO 12 HG1 PRO 12 -18.773 -0.056 1.000 86 HG3 PRO 12 HG2 PRO 12 -18.995 0.864 2.530 87 HD2 PRO 12 HD1 PRO 12 -16.523 0.073 1.575 88 HD3 PRO 12 HD2 PRO 12 -16.890 0.223 3.318 89 H GLY 13 H GLY 13 -16.706 -2.236 0.324 90 HA2 GLY 13 HA3 GLY 13 -18.463 -3.855 -1.436 91 HA3 GLY 13 HA2 GLY 13 -17.962 -2.216 -1.909 92 HA PRO 14 HA PRO 14 -15.189 -5.655 -3.486 93 HB2 PRO 14 HB1 PRO 14 -15.189 -5.007 -6.162 94 HB3 PRO 14 HB2 PRO 14 -16.430 -6.015 -5.364 95 HG2 PRO 14 HG1 PRO 14 -16.539 -3.052 -5.979 96 HG3 PRO 14 HG2 PRO 14 -17.805 -4.297 -6.277 97 HD2 PRO 14 HD1 PRO 14 -17.891 -2.681 -4.094 98 HD3 PRO 14 HD2 PRO 14 -18.352 -4.402 -3.976 99 H ASN 15 H ASN 15 -14.887 -2.179 -3.851 100 HA ASN 15 HA ASN 15 -12.062 -2.343 -4.605 101 HB2 ASN 15 HB1 ASN 15 -13.729 0.113 -3.962 102 HB3 ASN 15 HB2 ASN 15 -12.272 0.004 -4.952 103 HD21 ASN 15 HD21 ASN 15 -12.465 -0.743 -7.174 104 HD22 ASN 15 HD22 ASN 15 -14.060 -0.845 -7.905 105 H ALA 16 H ALA 16 -10.388 -1.740 -3.341 106 HA ALA 16 HA ALA 16 -10.723 -0.687 -0.589 107 HB1 ALA 16 HB1 ALA 16 -11.081 -3.112 -0.448 108 HB2 ALA 16 HB2 ALA 16 -9.544 -3.417 -1.270 109 HB3 ALA 16 HB3 ALA 16 -9.564 -2.664 0.341 110 H ALA 17 H ALA 17 -8.293 -0.996 0.420 111 HA ALA 17 HA ALA 17 -6.196 -0.218 -1.421 112 HB1 ALA 17 HB1 ALA 17 -7.187 1.771 0.677 113 HB2 ALA 17 HB2 ALA 17 -5.724 1.948 -0.303 114 HB3 ALA 17 HB3 ALA 17 -7.315 1.967 -1.089 115 H ALA 18 H ALA 18 -4.071 -0.381 -0.296 116 HA ALA 18 HA ALA 18 -4.197 -1.517 2.479 117 HB1 ALA 18 HB1 ALA 18 -3.619 -3.258 0.864 118 HB2 ALA 18 HB2 ALA 18 -2.274 -2.264 0.250 119 HB3 ALA 18 HB3 ALA 18 -2.242 -2.878 1.913 120 H TYR 19 H TYR 19 -3.223 -0.403 4.001 121 HA TYR 19 HA TYR 19 -1.108 1.592 3.347 122 HB2 TYR 19 HB1 TYR 19 -2.789 1.339 5.862 123 HB3 TYR 19 HB2 TYR 19 -1.710 2.671 5.421 124 HD1 TYR 19 HD2 TYR 19 -2.384 3.554 2.840 125 HD2 TYR 19 HD1 TYR 19 -5.021 1.931 5.821 126 HE1 TYR 19 HE2 TYR 19 -4.342 4.672 1.729 127 HE2 TYR 19 HE1 TYR 19 -6.945 3.084 4.774 128 HH TYR 19 HH TYR 19 -7.661 4.365 2.989 129 H LEU 20 H LEU 20 -0.082 -0.698 3.047 130 HA LEU 20 HA LEU 20 0.716 -2.069 5.468 131 HB2 LEU 20 HB1 LEU 20 1.896 -3.574 4.014 132 HB3 LEU 20 HB2 LEU 20 0.266 -3.214 3.378 133 HG LEU 20 HG LEU 20 1.462 -1.538 1.819 134 HD11 LEU 20 HD11 LEU 20 3.795 -2.306 1.174 135 HD12 LEU 20 HD12 LEU 20 3.832 -3.263 2.672 136 HD13 LEU 20 HD13 LEU 20 3.738 -1.497 2.730 137 HD21 LEU 20 HD21 LEU 20 1.941 -3.389 0.202 138 HD22 LEU 20 HD22 LEU 20 0.396 -3.569 1.043 139 HD23 LEU 20 HD23 LEU 20 1.800 -4.551 1.534 140 H THR 21 H THR 21 2.953 -2.598 6.011 141 HA THR 21 HA THR 21 4.968 -0.497 5.553 142 HB THR 21 HB THR 21 3.986 -1.430 8.251 143 HG1 THR 21 HG1 THR 21 3.213 0.496 8.486 144 HG21 THR 21 HG21 THR 21 6.315 -1.145 8.574 145 HG22 THR 21 HG22 THR 21 5.577 0.353 9.141 146 HG23 THR 21 HG23 THR 21 6.373 0.302 7.547 147 H LEU 22 H LEU 22 6.910 -1.216 5.437 148 HA LEU 22 HA LEU 22 7.794 -3.777 6.677 149 HB2 LEU 22 HB1 LEU 22 7.683 -3.046 3.816 150 HB3 LEU 22 HB2 LEU 22 9.352 -3.386 4.321 151 HG LEU 22 HG LEU 22 8.437 -5.315 3.341 152 HD11 LEU 22 HD11 LEU 22 8.523 -5.770 6.356 153 HD12 LEU 22 HD12 LEU 22 9.933 -5.639 5.284 154 HD13 LEU 22 HD13 LEU 22 8.774 -6.975 5.088 155 HD21 LEU 22 HD21 LEU 22 6.219 -5.443 5.396 156 HD22 LEU 22 HD22 LEU 22 6.427 -6.384 3.897 157 HD23 LEU 22 HD23 LEU 22 6.007 -4.673 3.813 158 H GLU 23 H GLU 23 10.101 -3.615 7.427 159 HA GLU 23 HA GLU 23 11.394 -0.986 6.985 160 HB2 GLU 23 HB1 GLU 23 12.669 -3.450 8.151 161 HB3 GLU 23 HB2 GLU 23 13.234 -1.757 8.213 162 HG2 GLU 23 HG1 GLU 23 12.315 -1.806 10.276 163 HG3 GLU 23 HG2 GLU 23 10.811 -1.473 9.434 164 H ASN 24 H ASN 24 13.474 -0.858 5.877 165 HA ASN 24 HA ASN 24 14.072 -3.068 3.954 166 HB2 ASN 24 HB1 ASN 24 13.934 -0.806 2.925 167 HB3 ASN 24 HB2 ASN 24 15.244 -0.261 3.983 168 HD21 ASN 24 HD21 ASN 24 16.082 0.087 1.574 169 HD22 ASN 24 HD22 ASN 24 17.073 -1.257 0.990 170 HA PRO 25 HA PRO 25 17.044 -3.622 7.411 171 HB2 PRO 25 HB1 PRO 25 17.120 -6.341 7.473 172 HB3 PRO 25 HB2 PRO 25 15.722 -5.435 8.129 173 HG2 PRO 25 HG1 PRO 25 15.993 -6.639 5.349 174 HG3 PRO 25 HG2 PRO 25 14.662 -6.908 6.526 175 HD2 PRO 25 HD1 PRO 25 14.459 -5.033 4.567 176 HD3 PRO 25 HD2 PRO 25 13.841 -4.721 6.219 177 H GLY 26 H GLY 26 17.237 -4.109 4.018 178 HA2 GLY 26 HA3 GLY 26 19.718 -5.591 3.936 179 HA3 GLY 26 HA2 GLY 26 18.837 -4.840 2.587 180 H ASP 27 H ASP 27 21.470 -4.762 2.758 181 HA ASP 27 HA ASP 27 22.412 -2.104 3.654 182 HB2 ASP 27 HB1 ASP 27 23.620 -4.503 3.694 183 HB3 ASP 27 HB2 ASP 27 24.122 -4.019 2.076 184 H LEU 28 H LEU 28 20.767 -3.294 1.109 185 HA LEU 28 HA LEU 28 21.743 -1.313 -0.867 186 HB2 LEU 28 HB1 LEU 28 21.058 -2.878 -2.618 187 HB3 LEU 28 HB2 LEU 28 22.293 -3.542 -1.502 188 HG LEU 28 HG LEU 28 20.286 -4.739 -0.356 189 HD11 LEU 28 HD11 LEU 28 19.030 -4.111 -3.072 190 HD12 LEU 28 HD12 LEU 28 18.382 -3.666 -1.481 191 HD13 LEU 28 HD13 LEU 28 18.450 -5.357 -1.947 192 HD21 LEU 28 HD21 LEU 28 21.197 -5.545 -3.151 193 HD22 LEU 28 HD22 LEU 28 20.490 -6.627 -1.932 194 HD23 LEU 28 HD23 LEU 28 22.059 -5.874 -1.632 195 HA PRO 29 HA PRO 29 17.726 0.387 -0.634 196 HB2 PRO 29 HB1 PRO 29 17.265 1.544 -3.056 197 HB3 PRO 29 HB2 PRO 29 18.551 2.103 -1.945 198 HG2 PRO 29 HG1 PRO 29 18.814 0.280 -4.337 199 HG3 PRO 29 HG2 PRO 29 19.868 1.658 -3.868 200 HD2 PRO 29 HD1 PRO 29 20.433 -1.002 -3.319 201 HD3 PRO 29 HD2 PRO 29 21.013 0.324 -2.291 202 H LEU 30 H LEU 30 15.549 -0.004 -0.953 203 HA LEU 30 HA LEU 30 14.804 -2.241 -2.770 204 HB2 LEU 30 HB1 LEU 30 13.485 -1.193 -0.257 205 HB3 LEU 30 HB2 LEU 30 12.614 -2.209 -1.418 206 HG LEU 30 HG LEU 30 15.210 -3.005 -0.140 207 HD11 LEU 30 HD11 LEU 30 12.377 -3.847 0.682 208 HD12 LEU 30 HD12 LEU 30 13.350 -2.667 1.570 209 HD13 LEU 30 HD13 LEU 30 13.891 -4.350 1.467 210 HD21 LEU 30 HD21 LEU 30 14.563 -5.307 -0.719 211 HD22 LEU 30 HD22 LEU 30 14.746 -4.296 -2.156 212 HD23 LEU 30 HD23 LEU 30 13.122 -4.689 -1.544 213 H ARG 31 H ARG 31 13.289 -2.111 -4.016 214 HA ARG 31 HA ARG 31 12.123 0.526 -4.889 215 HB2 ARG 31 HB1 ARG 31 14.144 0.023 -6.177 216 HB3 ARG 31 HB2 ARG 31 13.453 -1.542 -6.657 217 HG2 ARG 31 HG1 ARG 31 13.073 -0.286 -8.529 218 HG3 ARG 31 HG2 ARG 31 11.531 -0.077 -7.698 219 HD2 ARG 31 HD1 ARG 31 12.347 2.041 -8.613 220 HD3 ARG 31 HD2 ARG 31 12.294 2.100 -6.832 221 HE ARG 31 HE ARG 31 14.562 2.269 -6.713 222 HH11 ARG 31 HH12 ARG 31 13.813 1.675 -10.096 223 HH12 ARG 31 HH11 ARG 31 15.364 2.278 -10.645 224 HH21 ARG 31 HH22 ARG 31 16.336 3.178 -7.402 225 HH22 ARG 31 HH21 ARG 31 16.883 3.080 -9.064 226 H LEU 32 H LEU 32 10.026 0.174 -4.473 227 HA LEU 32 HA LEU 32 8.809 -2.537 -4.712 228 HB2 LEU 32 HB1 LEU 32 8.654 -1.370 -2.590 229 HB3 LEU 32 HB2 LEU 32 7.958 0.061 -3.376 230 HG LEU 32 HG LEU 32 5.937 -1.251 -3.953 231 HD11 LEU 32 HD11 LEU 32 6.787 -3.522 -4.094 232 HD12 LEU 32 HD12 LEU 32 5.622 -3.480 -2.767 233 HD13 LEU 32 HD13 LEU 32 7.362 -3.473 -2.416 234 HD21 LEU 32 HD21 LEU 32 5.028 -1.327 -1.705 235 HD22 LEU 32 HD22 LEU 32 6.154 0.035 -1.807 236 HD23 LEU 32 HD23 LEU 32 6.638 -1.473 -1.002 237 H VAL 33 H VAL 33 7.908 -2.980 -6.646 238 HA VAL 33 HA VAL 33 6.921 -0.707 -8.339 239 HB VAL 33 HB VAL 33 7.248 -2.116 -10.261 240 HG11 VAL 33 HG11 VAL 33 9.681 -2.329 -10.266 241 HG12 VAL 33 HG12 VAL 33 9.230 -0.852 -9.412 242 HG13 VAL 33 HG13 VAL 33 9.733 -2.281 -8.496 243 HG21 VAL 33 HG21 VAL 33 8.260 -4.322 -10.222 244 HG22 VAL 33 HG22 VAL 33 8.334 -4.321 -8.458 245 HG23 VAL 33 HG23 VAL 33 6.763 -4.382 -9.292 246 H GLY 34 H GLY 34 5.873 -3.549 -6.602 247 HA2 GLY 34 HA3 GLY 34 3.092 -3.282 -7.454 248 HA3 GLY 34 HA2 GLY 34 3.913 -4.781 -7.946 249 H ALA 35 H ALA 35 1.897 -5.379 -6.620 250 HA ALA 35 HA ALA 35 2.902 -6.530 -4.158 251 HB1 ALA 35 HB1 ALA 35 0.415 -4.770 -4.121 252 HB2 ALA 35 HB2 ALA 35 0.920 -5.847 -2.797 253 HB3 ALA 35 HB3 ALA 35 1.943 -4.494 -3.261 254 H ARG 36 H ARG 36 1.082 -7.987 -3.203 255 HA ARG 36 HA ARG 36 -0.952 -9.051 -4.971 256 HB2 ARG 36 HB1 ARG 36 1.634 -10.238 -5.044 257 HB3 ARG 36 HB2 ARG 36 0.634 -11.349 -4.099 258 HG2 ARG 36 HG1 ARG 36 -0.254 -10.299 -6.787 259 HG3 ARG 36 HG2 ARG 36 0.822 -11.730 -6.550 260 HD2 ARG 36 HD1 ARG 36 -1.115 -12.858 -6.665 261 HD3 ARG 36 HD2 ARG 36 -1.184 -12.489 -4.947 262 HE ARG 36 HE ARG 36 -3.193 -11.445 -5.404 263 HH11 ARG 36 HH12 ARG 36 -1.318 -11.267 -8.425 264 HH12 ARG 36 HH11 ARG 36 -2.740 -10.779 -9.324 265 HH21 ARG 36 HH22 ARG 36 -4.890 -10.667 -6.647 266 HH22 ARG 36 HH21 ARG 36 -4.684 -10.411 -8.349 267 H THR 37 H THR 37 -2.236 -10.635 -3.829 268 HA THR 37 HA THR 37 -2.043 -11.375 -1.081 269 HB THR 37 HB THR 37 -2.370 -9.151 -0.490 270 HG1 THR 37 HG1 THR 37 -3.577 -10.134 0.809 271 HG21 THR 37 HG21 THR 37 -4.359 -7.797 -1.174 272 HG22 THR 37 HG22 THR 37 -4.776 -9.041 -2.367 273 HG23 THR 37 HG23 THR 37 -3.275 -8.097 -2.538 274 HA PRO 38 HA PRO 38 -5.324 -13.799 -2.946 275 HB2 PRO 38 HB1 PRO 38 -6.548 -14.967 -0.799 276 HB3 PRO 38 HB2 PRO 38 -4.914 -15.417 -1.389 277 HG2 PRO 38 HG1 PRO 38 -5.617 -13.604 0.908 278 HG3 PRO 38 HG2 PRO 38 -4.388 -14.916 0.854 279 HD2 PRO 38 HD1 PRO 38 -3.804 -12.242 0.486 280 HD3 PRO 38 HD2 PRO 38 -2.863 -13.507 -0.325 281 H VAL 39 H VAL 39 -6.024 -11.255 -0.656 282 HA VAL 39 HA VAL 39 -8.924 -11.294 -1.419 283 HB VAL 39 HB VAL 39 -9.281 -9.730 0.417 284 HG11 VAL 39 HG11 VAL 39 -7.645 -12.164 1.271 285 HG12 VAL 39 HG12 VAL 39 -8.796 -11.260 2.259 286 HG13 VAL 39 HG13 VAL 39 -9.363 -12.163 0.833 287 HG21 VAL 39 HG21 VAL 39 -6.896 -8.688 0.285 288 HG22 VAL 39 HG22 VAL 39 -7.530 -9.029 1.898 289 HG23 VAL 39 HG23 VAL 39 -6.361 -10.141 1.149 290 H ALA 40 H ALA 40 -7.025 -10.532 -3.371 291 HA ALA 40 HA ALA 40 -8.647 -8.367 -4.373 292 HB1 ALA 40 HB1 ALA 40 -6.877 -6.783 -4.928 293 HB2 ALA 40 HB2 ALA 40 -6.821 -7.085 -3.180 294 HB3 ALA 40 HB3 ALA 40 -5.631 -7.849 -4.249 295 H GLU 41 H GLU 41 -8.657 -8.391 -6.600 296 HA GLU 41 HA GLU 41 -7.622 -10.848 -7.901 297 HB2 GLU 41 HB1 GLU 41 -10.004 -10.184 -7.856 298 HB3 GLU 41 HB2 GLU 41 -9.610 -8.683 -8.703 299 HG2 GLU 41 HG1 GLU 41 -8.835 -10.060 -10.657 300 HG3 GLU 41 HG2 GLU 41 -9.388 -11.513 -9.792 301 H ARG 42 H ARG 42 -7.765 -7.312 -8.386 302 HA ARG 42 HA ARG 42 -5.219 -7.335 -9.871 303 HB2 ARG 42 HB1 ARG 42 -7.498 -5.379 -10.340 304 HB3 ARG 42 HB2 ARG 42 -5.919 -5.439 -11.173 305 HG2 ARG 42 HG1 ARG 42 -7.085 -6.484 -12.782 306 HG3 ARG 42 HG2 ARG 42 -6.843 -7.920 -11.777 307 HD2 ARG 42 HD1 ARG 42 -9.148 -7.909 -12.390 308 HD3 ARG 42 HD2 ARG 42 -9.120 -7.381 -10.706 309 HE ARG 42 HE ARG 42 -8.964 -5.117 -12.456 310 HH11 ARG 42 HH12 ARG 42 -11.406 -7.556 -11.537 311 HH12 ARG 42 HH11 ARG 42 -12.713 -6.470 -11.837 312 HH21 ARG 42 HH22 ARG 42 -10.722 -3.783 -12.828 313 HH22 ARG 42 HH21 ARG 42 -12.336 -4.377 -12.584 314 H VAL 43 H VAL 43 -4.099 -5.311 -9.491 315 HA VAL 43 HA VAL 43 -4.693 -3.855 -7.005 316 HB VAL 43 HB VAL 43 -3.327 -5.838 -6.359 317 HG11 VAL 43 HG11 VAL 43 -1.015 -4.590 -7.911 318 HG12 VAL 43 HG12 VAL 43 -0.985 -6.020 -6.884 319 HG13 VAL 43 HG13 VAL 43 -1.904 -6.059 -8.393 320 HG21 VAL 43 HG21 VAL 43 -1.837 -3.216 -5.949 321 HG22 VAL 43 HG22 VAL 43 -3.263 -3.758 -5.028 322 HG23 VAL 43 HG23 VAL 43 -1.755 -4.669 -4.938 323 H GLU 44 H GLU 44 -3.756 -1.784 -7.046 324 HA GLU 44 HA GLU 44 -2.042 -0.955 -9.363 325 HB2 GLU 44 HB1 GLU 44 -4.429 0.478 -8.137 326 HB3 GLU 44 HB2 GLU 44 -3.276 1.238 -9.255 327 HG2 GLU 44 HG1 GLU 44 -4.019 -0.046 -11.082 328 HG3 GLU 44 HG2 GLU 44 -4.811 -1.247 -10.043 329 H LEU 45 H LEU 45 -0.511 0.689 -8.786 330 HA LEU 45 HA LEU 45 -0.137 1.095 -5.838 331 HB2 LEU 45 HB1 LEU 45 1.723 0.002 -6.917 332 HB3 LEU 45 HB2 LEU 45 1.789 1.255 -8.178 333 HG LEU 45 HG LEU 45 2.473 2.912 -6.534 334 HD11 LEU 45 HD11 LEU 45 1.403 2.084 -4.466 335 HD12 LEU 45 HD12 LEU 45 3.133 2.362 -4.250 336 HD13 LEU 45 HD13 LEU 45 2.530 0.710 -4.445 337 HD21 LEU 45 HD21 LEU 45 4.730 2.044 -6.146 338 HD22 LEU 45 HD22 LEU 45 4.140 1.526 -7.736 339 HD23 LEU 45 HD23 LEU 45 4.160 0.376 -6.382 340 H HIS 46 H HIS 46 -0.724 3.001 -5.018 341 HA HIS 46 HA HIS 46 -0.958 5.403 -6.796 342 HB2 HIS 46 HB1 HIS 46 -2.721 4.380 -4.558 343 HB3 HIS 46 HB2 HIS 46 -2.861 6.008 -5.244 344 HD2 HIS 46 HD2 HIS 46 -2.502 3.769 -8.161 345 HE1 HIS 46 HE1 HIS 46 -6.650 3.656 -7.253 346 HE2 HIS 46 HE2 HIS 46 -4.925 3.047 -9.012 347 H GLU 47 H GLU 47 -0.743 7.349 -5.991 348 HA GLU 47 HA GLU 47 0.533 7.743 -3.319 349 HB2 GLU 47 HB1 GLU 47 1.342 9.835 -4.080 350 HB3 GLU 47 HB2 GLU 47 1.753 8.592 -5.294 351 HG2 GLU 47 HG1 GLU 47 0.067 9.345 -6.783 352 HG3 GLU 47 HG2 GLU 47 -0.667 10.409 -5.571 353 H THR 48 H THR 48 -0.185 10.008 -2.334 354 HA THR 48 HA THR 48 -2.987 10.825 -2.983 355 HB THR 48 HB THR 48 -1.918 10.001 -0.245 356 HG1 THR 48 HG1 THR 48 -3.008 8.793 -2.250 357 HG21 THR 48 HG21 THR 48 -3.445 11.977 -0.047 358 HG22 THR 48 HG22 THR 48 -4.176 10.497 0.593 359 HG23 THR 48 HG23 THR 48 -4.669 11.107 -1.003 360 H PHE 49 H PHE 49 -3.067 13.034 -3.018 361 HA PHE 49 HA PHE 49 -0.613 14.496 -2.152 362 HB2 PHE 49 HB1 PHE 49 -0.540 15.650 -4.245 363 HB3 PHE 49 HB2 PHE 49 -0.428 13.918 -4.498 364 HD1 PHE 49 HD2 PHE 49 -2.690 16.878 -4.732 365 HD2 PHE 49 HD1 PHE 49 -1.966 12.845 -6.061 366 HE1 PHE 49 HE2 PHE 49 -4.405 17.155 -6.484 367 HE2 PHE 49 HE1 PHE 49 -3.695 13.132 -7.823 368 HZ PHE 49 HZ PHE 49 -4.885 15.320 -8.064 369 H MET 50 H MET 50 -0.769 16.825 -2.407 370 HA MET 50 HA MET 50 -3.390 17.961 -1.537 371 HB2 MET 50 HB1 MET 50 -2.118 19.713 -0.419 372 HB3 MET 50 HB2 MET 50 -1.747 18.113 0.251 373 HG2 MET 50 HG1 MET 50 0.368 18.067 -0.991 374 HG3 MET 50 HG2 MET 50 -0.008 19.625 -1.751 375 HE1 MET 50 HE1 MET 50 2.970 19.309 0.537 376 HE2 MET 50 HE2 MET 50 2.391 19.607 -1.118 377 HE3 MET 50 HE3 MET 50 2.723 20.971 -0.029 378 H ARG 51 H ARG 51 -4.076 19.882 -2.519 379 HA ARG 51 HA ARG 51 -2.511 21.088 -4.695 380 HB2 ARG 51 HB1 ARG 51 -4.175 18.880 -5.207 381 HB3 ARG 51 HB2 ARG 51 -5.112 20.266 -5.768 382 HG2 ARG 51 HG1 ARG 51 -2.200 20.073 -6.554 383 HG3 ARG 51 HG2 ARG 51 -3.373 19.000 -7.366 384 HD2 ARG 51 HD1 ARG 51 -4.562 20.764 -8.313 385 HD3 ARG 51 HD2 ARG 51 -3.917 21.937 -7.147 386 HE ARG 51 HE ARG 51 -1.922 20.729 -8.884 387 HH11 ARG 51 HH12 ARG 51 -4.092 23.536 -8.518 388 HH12 ARG 51 HH11 ARG 51 -3.165 24.493 -9.622 389 HH21 ARG 51 HH22 ARG 51 -0.777 22.032 -10.283 390 HH22 ARG 51 HH21 ARG 51 -1.316 23.650 -10.616 391 H GLU 52 H GLU 52 -3.358 23.165 -5.412 392 HA GLU 52 HA GLU 52 -5.680 24.256 -4.002 393 HB2 GLU 52 HB1 GLU 52 -3.236 25.227 -4.182 394 HB3 GLU 52 HB2 GLU 52 -3.713 25.633 -5.847 395 HG2 GLU 52 HG1 GLU 52 -4.224 27.540 -4.601 396 HG3 GLU 52 HG2 GLU 52 -5.775 26.748 -4.830 397 H VAL 53 H VAL 53 -7.518 24.781 -5.247 398 HA VAL 53 HA VAL 53 -7.220 25.494 -8.050 399 HB VAL 53 HB VAL 53 -7.468 23.126 -8.420 400 HG11 VAL 53 HG11 VAL 53 -8.468 22.420 -6.309 401 HG12 VAL 53 HG12 VAL 53 -10.010 23.189 -6.749 402 HG13 VAL 53 HG13 VAL 53 -9.395 21.808 -7.684 403 HG21 VAL 53 HG21 VAL 53 -9.382 23.070 -9.871 404 HG22 VAL 53 HG22 VAL 53 -10.137 24.436 -9.032 405 HG23 VAL 53 HG23 VAL 53 -8.636 24.675 -9.959 406 H GLU 54 H GLU 54 -8.854 26.895 -8.689 407 HA GLU 54 HA GLU 54 -10.347 28.575 -8.381 408 HB2 GLU 54 HB1 GLU 54 -11.754 26.399 -8.025 409 HB3 GLU 54 HB2 GLU 54 -11.799 26.917 -6.332 410 HG2 GLU 54 HG1 GLU 54 -12.629 29.212 -7.394 411 HG3 GLU 54 HG2 GLU 54 -13.015 28.206 -8.802 412 H GLY 55 H GLY 55 -7.953 28.452 -6.580 413 HA2 GLY 55 HA3 GLY 55 -7.072 29.782 -4.901 414 HA3 GLY 55 HA2 GLY 55 -8.656 30.571 -4.725 415 H LYS 56 H LYS 56 -8.582 27.094 -4.473 416 HA LYS 56 HA LYS 56 -8.771 27.196 -1.520 417 HB2 LYS 56 HB1 LYS 56 -10.736 25.956 -3.484 418 HB3 LYS 56 HB2 LYS 56 -10.731 25.621 -1.735 419 HG2 LYS 56 HG1 LYS 56 -11.199 27.939 -1.224 420 HG3 LYS 56 HG2 LYS 56 -11.055 28.415 -2.929 421 HD2 LYS 56 HD1 LYS 56 -13.208 26.596 -1.792 422 HD3 LYS 56 HD2 LYS 56 -13.383 28.320 -2.231 423 HE2 LYS 56 HE1 LYS 56 -12.622 27.693 -4.563 424 HE3 LYS 56 HE2 LYS 56 -12.746 25.991 -4.098 425 HZ1 LYS 56 HZ1 LYS 56 -14.879 27.978 -4.458 426 HZ2 LYS 56 HZ2 LYS 56 -15.177 26.565 -3.590 427 HZ3 LYS 56 HZ3 LYS 56 -14.709 26.608 -5.186 428 H LYS 57 H LYS 57 -7.598 25.804 -0.632 429 HA LYS 57 HA LYS 57 -6.111 23.705 -1.828 430 HB2 LYS 57 HB1 LYS 57 -5.571 23.140 0.566 431 HB3 LYS 57 HB2 LYS 57 -5.053 24.707 -0.033 432 HG2 LYS 57 HG1 LYS 57 -7.584 24.382 1.570 433 HG3 LYS 57 HG2 LYS 57 -5.984 24.472 2.358 434 HD2 LYS 57 HD1 LYS 57 -7.262 26.652 0.681 435 HD3 LYS 57 HD2 LYS 57 -7.158 26.566 2.475 436 HE2 LYS 57 HE1 LYS 57 -5.470 28.028 2.024 437 HE3 LYS 57 HE2 LYS 57 -4.586 26.498 2.079 438 HZ1 LYS 57 HZ1 LYS 57 -5.510 27.784 -0.468 439 HZ2 LYS 57 HZ2 LYS 57 -4.577 26.518 -0.382 440 HZ3 LYS 57 HZ3 LYS 57 -4.005 27.954 0.149 441 H VAL 58 H VAL 58 -6.582 21.710 -2.169 442 HA VAL 58 HA VAL 58 -8.670 20.156 -0.764 443 HB VAL 58 HB VAL 58 -9.256 19.226 -2.981 444 HG11 VAL 58 HG11 VAL 58 -10.749 21.002 -3.710 445 HG12 VAL 58 HG12 VAL 58 -10.672 20.977 -1.940 446 HG13 VAL 58 HG13 VAL 58 -9.785 22.217 -2.853 447 HG21 VAL 58 HG21 VAL 58 -7.746 21.544 -4.229 448 HG22 VAL 58 HG22 VAL 58 -7.227 19.843 -4.267 449 HG23 VAL 58 HG23 VAL 58 -8.724 20.327 -5.072 450 H MET 59 H MET 59 -8.435 17.764 -1.622 451 HA MET 59 HA MET 59 -5.560 17.004 -1.874 452 HB2 MET 59 HB1 MET 59 -7.671 15.658 -0.161 453 HB3 MET 59 HB2 MET 59 -6.019 15.046 -0.467 454 HG2 MET 59 HG1 MET 59 -5.759 16.053 1.574 455 HG3 MET 59 HG2 MET 59 -5.220 17.314 0.483 456 HE1 MET 59 HE1 MET 59 -6.960 20.254 1.695 457 HE2 MET 59 HE2 MET 59 -5.758 19.379 2.675 458 HE3 MET 59 HE3 MET 59 -5.589 19.450 0.902 459 H GLY 60 H GLY 60 -5.250 14.814 -2.724 460 HA2 GLY 60 HA3 GLY 60 -7.303 13.777 -4.554 461 HA3 GLY 60 HA2 GLY 60 -5.897 14.563 -5.307 462 H MET 61 H MET 61 -6.074 12.183 -6.164 463 HA MET 61 HA MET 61 -3.940 10.550 -4.963 464 HB2 MET 61 HB1 MET 61 -5.817 9.733 -3.741 465 HB3 MET 61 HB2 MET 61 -6.858 9.784 -5.176 466 HG2 MET 61 HG1 MET 61 -5.341 7.980 -6.139 467 HG3 MET 61 HG2 MET 61 -4.666 7.818 -4.524 468 HE1 MET 61 HE1 MET 61 -8.347 7.001 -2.761 469 HE2 MET 61 HE2 MET 61 -6.842 7.918 -2.484 470 HE3 MET 61 HE3 MET 61 -8.138 8.606 -3.501 471 H ARG 62 H ARG 62 -3.011 9.202 -6.533 472 HA ARG 62 HA ARG 62 -4.186 8.794 -9.144 473 HB2 ARG 62 HB1 ARG 62 -2.503 9.958 -10.474 474 HB3 ARG 62 HB2 ARG 62 -3.403 11.103 -9.454 475 HG2 ARG 62 HG1 ARG 62 -1.518 11.129 -7.852 476 HG3 ARG 62 HG2 ARG 62 -0.605 10.044 -8.924 477 HD2 ARG 62 HD1 ARG 62 -0.619 11.752 -10.699 478 HD3 ARG 62 HD2 ARG 62 -1.588 12.832 -9.663 479 HE ARG 62 HE ARG 62 0.431 12.421 -8.012 480 HH11 ARG 62 HH12 ARG 62 0.817 13.306 -11.384 481 HH12 ARG 62 HH11 ARG 62 2.531 13.563 -11.180 482 HH21 ARG 62 HH22 ARG 62 2.510 12.408 -7.892 483 HH22 ARG 62 HH21 ARG 62 3.508 13.148 -9.112 484 HA PRO 63 HA PRO 63 -1.381 5.381 -8.793 485 HB2 PRO 63 HB1 PRO 63 -1.066 4.442 -11.313 486 HB3 PRO 63 HB2 PRO 63 -2.632 4.346 -10.454 487 HG2 PRO 63 HG1 PRO 63 -1.728 6.467 -12.427 488 HG3 PRO 63 HG2 PRO 63 -3.273 5.542 -12.426 489 HD2 PRO 63 HD1 PRO 63 -3.085 8.051 -11.346 490 HD3 PRO 63 HD2 PRO 63 -4.114 6.787 -10.604 491 H VAL 64 H VAL 64 0.776 4.664 -9.107 492 HA VAL 64 HA VAL 64 2.663 6.489 -10.489 493 HB VAL 64 HB VAL 64 4.165 6.604 -8.558 494 HG11 VAL 64 HG11 VAL 64 1.432 7.654 -7.764 495 HG12 VAL 64 HG12 VAL 64 3.025 8.261 -7.265 496 HG13 VAL 64 HG13 VAL 64 2.514 8.424 -8.951 497 HG21 VAL 64 HG21 VAL 64 3.402 6.035 -6.275 498 HG22 VAL 64 HG22 VAL 64 1.973 5.240 -6.957 499 HG23 VAL 64 HG23 VAL 64 3.614 4.624 -7.308 500 HA PRO 65 HA PRO 65 4.302 2.718 -11.782 501 HB2 PRO 65 HB1 PRO 65 6.792 3.269 -12.627 502 HB3 PRO 65 HB2 PRO 65 5.364 4.112 -13.302 503 HG2 PRO 65 HG1 PRO 65 7.237 5.084 -11.127 504 HG3 PRO 65 HG2 PRO 65 6.679 5.974 -12.590 505 HD2 PRO 65 HD1 PRO 65 5.498 6.241 -10.115 506 HD3 PRO 65 HD2 PRO 65 4.580 6.382 -11.632 507 H PHE 66 H PHE 66 6.118 4.060 -9.097 508 HA PHE 66 HA PHE 66 6.429 1.617 -7.732 509 HB2 PHE 66 HB1 PHE 66 8.802 1.221 -7.804 510 HB3 PHE 66 HB2 PHE 66 8.143 1.057 -9.420 511 HD1 PHE 66 HD1 PHE 66 8.568 2.773 -11.119 512 HD2 PHE 66 HD2 PHE 66 10.341 2.980 -7.205 513 HE1 PHE 66 HE1 PHE 66 10.102 4.608 -11.904 514 HE2 PHE 66 HE2 PHE 66 11.732 4.898 -7.909 515 HZ PHE 66 HZ PHE 66 11.662 5.684 -10.285 516 H LEU 67 H LEU 67 7.720 1.827 -5.817 517 HA LEU 67 HA LEU 67 8.329 4.625 -4.947 518 HB2 LEU 67 HB1 LEU 67 7.794 2.246 -3.137 519 HB3 LEU 67 HB2 LEU 67 7.977 3.936 -2.654 520 HG LEU 67 HG LEU 67 5.631 2.611 -4.066 521 HD11 LEU 67 HD11 LEU 67 5.908 4.082 -1.416 522 HD12 LEU 67 HD12 LEU 67 5.872 2.323 -1.618 523 HD13 LEU 67 HD13 LEU 67 4.432 3.277 -2.027 524 HD21 LEU 67 HD21 LEU 67 5.925 5.584 -3.427 525 HD22 LEU 67 HD22 LEU 67 4.469 4.761 -4.042 526 HD23 LEU 67 HD23 LEU 67 5.895 4.887 -5.058 527 H GLU 68 H GLU 68 10.186 4.878 -3.656 528 HA GLU 68 HA GLU 68 12.332 2.827 -4.003 529 HB2 GLU 68 HB1 GLU 68 12.727 4.693 -5.572 530 HB3 GLU 68 HB2 GLU 68 12.575 5.858 -4.233 531 HG2 GLU 68 HG1 GLU 68 14.876 5.674 -4.521 532 HG3 GLU 68 HG2 GLU 68 14.601 4.597 -3.159 533 H VAL 69 H VAL 69 13.387 2.358 -2.151 534 HA VAL 69 HA VAL 69 13.362 4.350 0.024 535 HB VAL 69 HB VAL 69 12.670 1.384 0.380 536 HG11 VAL 69 HG11 VAL 69 12.830 3.510 2.564 537 HG12 VAL 69 HG12 VAL 69 12.310 1.821 2.750 538 HG13 VAL 69 HG13 VAL 69 13.973 2.166 2.334 539 HG21 VAL 69 HG21 VAL 69 10.497 2.268 1.285 540 HG22 VAL 69 HG22 VAL 69 10.968 3.890 0.778 541 HG23 VAL 69 HG23 VAL 69 10.713 2.600 -0.424 542 HA PRO 70 HA PRO 70 17.660 3.231 -0.016 543 HB2 PRO 70 HB1 PRO 70 18.574 4.610 2.162 544 HB3 PRO 70 HB2 PRO 70 18.063 5.413 0.645 545 HG2 PRO 70 HG1 PRO 70 16.415 4.970 3.156 546 HG3 PRO 70 HG2 PRO 70 16.653 6.505 2.246 547 HD2 PRO 70 HD1 PRO 70 14.466 4.943 1.842 548 HD3 PRO 70 HD2 PRO 70 15.270 5.761 0.473 549 HA PRO 71 HA PRO 71 18.330 -0.140 2.915 550 HB2 PRO 71 HB1 PRO 71 20.984 0.134 3.564 551 HB3 PRO 71 HB2 PRO 71 20.349 -0.558 2.037 552 HG2 PRO 71 HG1 PRO 71 21.370 2.234 2.528 553 HG3 PRO 71 HG2 PRO 71 21.709 1.141 1.131 554 HD2 PRO 71 HD1 PRO 71 19.843 3.121 1.000 555 HD3 PRO 71 HD2 PRO 71 19.629 1.554 0.174 556 H LYS 72 H LYS 72 18.119 -0.453 5.094 557 HA LYS 72 HA LYS 72 17.683 0.013 7.248 558 HB2 LYS 72 HB1 LYS 72 19.537 2.381 7.213 559 HB3 LYS 72 HB2 LYS 72 19.189 1.262 8.540 560 HG2 LYS 72 HG1 LYS 72 20.826 0.697 6.039 561 HG3 LYS 72 HG2 LYS 72 21.447 0.968 7.676 562 HD2 LYS 72 HD1 LYS 72 20.772 -1.163 8.407 563 HD3 LYS 72 HD2 LYS 72 19.567 -1.345 7.104 564 HE2 LYS 72 HE1 LYS 72 21.475 -2.798 6.695 565 HE3 LYS 72 HE2 LYS 72 21.307 -1.544 5.438 566 HZ1 LYS 72 HZ1 LYS 72 23.288 -1.551 7.631 567 HZ2 LYS 72 HZ2 LYS 72 23.095 -0.341 6.515 568 HZ3 LYS 72 HZ3 LYS 72 23.575 -1.806 6.036 569 H GLY 73 H GLY 73 16.772 1.986 4.885 570 HA2 GLY 73 HA3 GLY 73 15.005 3.814 6.383 571 HA3 GLY 73 HA2 GLY 73 14.991 3.501 4.632 572 H ARG 74 H ARG 74 12.536 3.458 5.332 573 HA ARG 74 HA ARG 74 11.789 0.623 5.630 574 HB2 ARG 74 HB1 ARG 74 9.978 1.189 7.250 575 HB3 ARG 74 HB2 ARG 74 11.632 1.269 7.899 576 HG2 ARG 74 HG1 ARG 74 11.610 3.681 7.809 577 HG3 ARG 74 HG2 ARG 74 10.040 3.696 6.998 578 HD2 ARG 74 HD1 ARG 74 9.142 2.455 9.037 579 HD3 ARG 74 HD2 ARG 74 10.652 2.931 9.804 580 HE ARG 74 HE ARG 74 8.407 4.666 8.923 581 HH11 ARG 74 HH12 ARG 74 11.626 4.761 10.365 582 HH12 ARG 74 HH11 ARG 74 11.528 6.495 10.595 583 HH21 ARG 74 HH22 ARG 74 8.330 6.658 9.159 584 HH22 ARG 74 HH21 ARG 74 9.591 7.625 9.926 585 H VAL 75 H VAL 75 9.942 -0.006 4.762 586 HA VAL 75 HA VAL 75 8.927 1.666 2.532 587 HB VAL 75 HB VAL 75 8.661 -1.353 2.734 588 HG11 VAL 75 HG11 VAL 75 8.492 -1.201 0.280 589 HG12 VAL 75 HG12 VAL 75 7.273 -0.162 1.038 590 HG13 VAL 75 HG13 VAL 75 8.743 0.553 0.348 591 HG21 VAL 75 HG21 VAL 75 10.616 -1.672 1.306 592 HG22 VAL 75 HG22 VAL 75 11.027 0.040 1.457 593 HG23 VAL 75 HG23 VAL 75 11.069 -1.024 2.879 594 H GLU 76 H GLU 76 7.888 2.573 4.573 595 HA GLU 76 HA GLU 76 5.207 1.403 5.125 596 HB2 GLU 76 HB1 GLU 76 4.894 3.673 6.282 597 HB3 GLU 76 HB2 GLU 76 5.867 2.432 7.096 598 HG2 GLU 76 HG1 GLU 76 7.781 3.625 6.945 599 HG3 GLU 76 HG2 GLU 76 7.391 4.312 5.366 600 H LEU 77 H LEU 77 3.622 1.770 3.775 601 HA LEU 77 HA LEU 77 3.905 3.661 1.574 602 HB2 LEU 77 HB1 LEU 77 2.093 1.497 2.455 603 HB3 LEU 77 HB2 LEU 77 1.261 2.828 1.627 604 HG LEU 77 HG LEU 77 2.689 2.610 -0.308 605 HD11 LEU 77 HD11 LEU 77 4.227 0.650 -0.572 606 HD12 LEU 77 HD12 LEU 77 4.073 0.319 1.166 607 HD13 LEU 77 HD13 LEU 77 4.829 1.827 0.610 608 HD21 LEU 77 HD21 LEU 77 1.589 0.833 -1.216 609 HD22 LEU 77 HD22 LEU 77 0.678 0.886 0.313 610 HD23 LEU 77 HD23 LEU 77 1.989 -0.262 0.118 611 H LYS 78 H LYS 78 1.777 3.600 4.416 612 HA LYS 78 HA LYS 78 1.020 5.132 5.758 613 HB2 LYS 78 HB1 LYS 78 1.934 7.007 6.285 614 HB3 LYS 78 HB2 LYS 78 3.248 6.343 5.411 615 HG2 LYS 78 HG1 LYS 78 1.360 8.330 4.107 616 HG3 LYS 78 HG2 LYS 78 2.511 8.884 5.363 617 HD2 LYS 78 HD1 LYS 78 3.135 7.920 2.596 618 HD3 LYS 78 HD2 LYS 78 3.313 9.558 3.307 619 HE2 LYS 78 HE1 LYS 78 5.477 8.662 3.035 620 HE3 LYS 78 HE2 LYS 78 5.134 8.675 4.769 621 HZ1 LYS 78 HZ1 LYS 78 6.135 6.565 3.574 622 HZ2 LYS 78 HZ2 LYS 78 4.557 6.209 3.310 623 HZ3 LYS 78 HZ3 LYS 78 5.144 6.436 4.839 624 HA PRO 79 HA PRO 79 -2.741 5.990 3.625 625 HB2 PRO 79 HB1 PRO 79 -4.319 6.921 5.655 626 HB3 PRO 79 HB2 PRO 79 -3.822 5.210 5.530 627 HG2 PRO 79 HG1 PRO 79 -2.501 7.396 7.161 628 HG3 PRO 79 HG2 PRO 79 -3.025 5.766 7.712 629 HD2 PRO 79 HD1 PRO 79 -0.452 6.235 6.992 630 HD3 PRO 79 HD2 PRO 79 -1.260 4.714 6.520 631 H GLY 80 H GLY 80 -0.873 8.519 5.137 632 HA2 GLY 80 HA3 GLY 80 -2.535 10.664 4.015 633 HA3 GLY 80 HA2 GLY 80 -1.047 10.837 4.974 634 H GLY 81 H GLY 81 -0.464 8.575 2.417 635 HA2 GLY 81 HA3 GLY 81 -0.041 10.560 0.364 636 HA3 GLY 81 HA2 GLY 81 1.473 10.198 1.226 637 H TYR 82 H TYR 82 0.756 7.232 1.286 638 HA TYR 82 HA TYR 82 0.500 6.566 -1.571 639 HB2 TYR 82 HB1 TYR 82 2.882 5.667 0.062 640 HB3 TYR 82 HB2 TYR 82 2.382 4.960 -1.488 641 HD1 TYR 82 HD2 TYR 82 2.632 6.188 -3.589 642 HD2 TYR 82 HD1 TYR 82 3.907 7.860 0.165 643 HE1 TYR 82 HE2 TYR 82 3.895 7.926 -4.803 644 HE2 TYR 82 HE1 TYR 82 5.118 9.652 -1.036 645 HH TYR 82 HH TYR 82 5.689 10.525 -3.115 646 H HIS 83 H HIS 83 -0.191 4.510 -2.065 647 HA HIS 83 HA HIS 83 -0.564 2.466 -0.055 648 HB2 HIS 83 HB1 HIS 83 -3.010 2.432 -0.054 649 HB3 HIS 83 HB2 HIS 83 -2.342 3.897 0.691 650 HD1 HIS 83 HD1 HIS 83 -2.579 6.209 -0.814 651 HD2 HIS 83 HD2 HIS 83 -4.511 2.738 -2.214 652 HE1 HIS 83 HE1 HIS 83 -4.032 6.924 -2.774 653 H PHE 84 H PHE 84 -1.368 0.439 -1.027 654 HA PHE 84 HA PHE 84 -1.483 0.450 -4.009 655 HB2 PHE 84 HB1 PHE 84 -1.763 -1.775 -1.965 656 HB3 PHE 84 HB2 PHE 84 -2.035 -1.973 -3.713 657 HD1 PHE 84 HD1 PHE 84 -0.176 -1.607 -5.334 658 HD2 PHE 84 HD2 PHE 84 0.474 -1.696 -1.078 659 HE1 PHE 84 HE1 PHE 84 2.248 -1.920 -5.711 660 HE2 PHE 84 HE2 PHE 84 2.906 -1.963 -1.453 661 HZ PHE 84 HZ PHE 84 3.805 -2.038 -3.760 662 H MET 85 H MET 85 -3.424 0.397 -5.083 663 HA MET 85 HA MET 85 -6.028 0.491 -3.620 664 HB2 MET 85 HB1 MET 85 -5.284 1.862 -5.833 665 HB3 MET 85 HB2 MET 85 -6.008 0.413 -6.567 666 HG2 MET 85 HG1 MET 85 -7.760 1.999 -6.319 667 HG3 MET 85 HG2 MET 85 -8.019 0.738 -5.104 668 HE1 MET 85 HE1 MET 85 -9.785 2.583 -4.600 669 HE2 MET 85 HE2 MET 85 -9.381 2.058 -2.950 670 HE3 MET 85 HE3 MET 85 -9.520 3.794 -3.319 671 H LEU 86 H LEU 86 -7.225 -1.349 -3.506 672 HA LEU 86 HA LEU 86 -6.254 -3.817 -4.923 673 HB2 LEU 86 HB1 LEU 86 -7.433 -3.345 -2.180 674 HB3 LEU 86 HB2 LEU 86 -7.537 -4.929 -3.000 675 HG LEU 86 HG LEU 86 -5.125 -5.163 -2.963 676 HD11 LEU 86 HD11 LEU 86 -4.296 -2.878 -3.105 677 HD12 LEU 86 HD12 LEU 86 -3.710 -3.596 -1.612 678 HD13 LEU 86 HD13 LEU 86 -5.074 -2.456 -1.564 679 HD21 LEU 86 HD21 LEU 86 -6.277 -4.329 -0.258 680 HD22 LEU 86 HD22 LEU 86 -4.872 -5.390 -0.506 681 HD23 LEU 86 HD23 LEU 86 -6.481 -5.919 -1.023 682 H LEU 87 H LEU 87 -7.612 -4.667 -6.341 683 HA LEU 87 HA LEU 87 -10.461 -3.735 -6.392 684 HB2 LEU 87 HB1 LEU 87 -8.473 -4.419 -8.576 685 HB3 LEU 87 HB2 LEU 87 -10.216 -4.266 -8.878 686 HG LEU 87 HG LEU 87 -9.046 -2.310 -9.627 687 HD11 LEU 87 HD11 LEU 87 -10.610 -1.603 -7.109 688 HD12 LEU 87 HD12 LEU 87 -11.331 -2.036 -8.682 689 HD13 LEU 87 HD13 LEU 87 -10.339 -0.570 -8.523 690 HD21 LEU 87 HD21 LEU 87 -7.118 -2.416 -7.979 691 HD22 LEU 87 HD22 LEU 87 -8.204 -1.647 -6.793 692 HD23 LEU 87 HD23 LEU 87 -7.791 -0.801 -8.282 693 H GLY 88 H GLY 88 -11.934 -5.188 -6.136 694 HA2 GLY 88 HA3 GLY 88 -13.175 -7.101 -6.522 695 HA3 GLY 88 HA2 GLY 88 -11.816 -7.766 -7.457 696 H LEU 89 H LEU 89 -11.866 -6.802 -4.020 697 HA LEU 89 HA LEU 89 -10.552 -8.892 -2.912 698 HB2 LEU 89 HB1 LEU 89 -11.830 -8.433 -0.789 699 HB3 LEU 89 HB2 LEU 89 -10.905 -7.125 -1.532 700 HG LEU 89 HG LEU 89 -12.948 -6.037 -2.252 701 HD11 LEU 89 HD11 LEU 89 -14.445 -7.833 -2.849 702 HD12 LEU 89 HD12 LEU 89 -15.210 -6.898 -1.562 703 HD13 LEU 89 HD13 LEU 89 -14.461 -8.456 -1.186 704 HD21 LEU 89 HD21 LEU 89 -13.958 -5.551 -0.046 705 HD22 LEU 89 HD22 LEU 89 -12.196 -5.609 0.012 706 HD23 LEU 89 HD23 LEU 89 -13.156 -6.976 0.630 707 H LYS 90 H LYS 90 -10.839 -10.549 -1.621 708 HA LYS 90 HA LYS 90 -13.013 -12.427 -2.553 709 HB2 LYS 90 HB1 LYS 90 -10.174 -13.161 -1.838 710 HB3 LYS 90 HB2 LYS 90 -11.430 -14.226 -2.515 711 HG2 LYS 90 HG1 LYS 90 -9.980 -11.947 -3.898 712 HG3 LYS 90 HG2 LYS 90 -9.888 -13.690 -4.252 713 HD2 LYS 90 HD1 LYS 90 -12.237 -13.654 -5.010 714 HD3 LYS 90 HD2 LYS 90 -12.286 -11.905 -4.656 715 HE2 LYS 90 HE1 LYS 90 -10.295 -11.715 -6.285 716 HE3 LYS 90 HE2 LYS 90 -10.748 -13.325 -6.842 717 HZ1 LYS 90 HZ1 LYS 90 -12.442 -10.892 -6.811 718 HZ2 LYS 90 HZ2 LYS 90 -12.994 -12.366 -7.310 719 HZ3 LYS 90 HZ3 LYS 90 -11.853 -11.566 -8.164 720 H ARG 91 H ARG 91 -11.469 -11.209 0.207 721 HA ARG 91 HA ARG 91 -13.419 -12.613 1.992 722 HB2 ARG 91 HB1 ARG 91 -11.031 -10.832 2.598 723 HB3 ARG 91 HB2 ARG 91 -12.338 -11.153 3.778 724 HG2 ARG 91 HG1 ARG 91 -11.758 -13.523 3.817 725 HG3 ARG 91 HG2 ARG 91 -10.378 -13.202 2.753 726 HD2 ARG 91 HD1 ARG 91 -9.489 -11.556 4.381 727 HD3 ARG 91 HD2 ARG 91 -10.899 -11.784 5.416 728 HE ARG 91 HE ARG 91 -8.786 -13.832 4.878 729 HH11 ARG 91 HH12 ARG 91 -11.132 -12.437 7.240 730 HH12 ARG 91 HH11 ARG 91 -10.428 -13.441 8.500 731 HH21 ARG 91 HH22 ARG 91 -8.076 -15.042 6.633 732 HH22 ARG 91 HH21 ARG 91 -8.826 -14.796 8.192 733 HA PRO 92 HA PRO 92 -15.172 -8.238 1.997 734 HB2 PRO 92 HB1 PRO 92 -16.007 -8.020 4.579 735 HB3 PRO 92 HB2 PRO 92 -16.948 -8.932 3.360 736 HG2 PRO 92 HG1 PRO 92 -14.973 -10.028 5.386 737 HG3 PRO 92 HG2 PRO 92 -16.639 -10.612 5.049 738 HD2 PRO 92 HD1 PRO 92 -14.422 -11.776 3.935 739 HD3 PRO 92 HD2 PRO 92 -15.958 -11.629 3.032 740 H LEU 93 H LEU 93 -14.535 -6.276 3.572 741 HA LEU 93 HA LEU 93 -12.033 -6.883 5.079 742 HB2 LEU 93 HB1 LEU 93 -12.459 -4.624 3.099 743 HB3 LEU 93 HB2 LEU 93 -11.193 -4.577 4.337 744 HG LEU 93 HG LEU 93 -11.436 -6.703 2.166 745 HD11 LEU 93 HD11 LEU 93 -10.898 -4.366 1.405 746 HD12 LEU 93 HD12 LEU 93 -9.644 -5.570 1.036 747 HD13 LEU 93 HD13 LEU 93 -9.426 -4.434 2.385 748 HD21 LEU 93 HD21 LEU 93 -10.200 -7.578 4.141 749 HD22 LEU 93 HD22 LEU 93 -9.141 -6.149 4.089 750 HD23 LEU 93 HD23 LEU 93 -9.136 -7.322 2.758 751 H LYS 94 H LYS 94 -13.078 -7.025 6.938 752 HA LYS 94 HA LYS 94 -14.533 -4.617 7.909 753 HB2 LYS 94 HB1 LYS 94 -14.224 -7.342 9.183 754 HB3 LYS 94 HB2 LYS 94 -15.277 -6.036 9.752 755 HG2 LYS 94 HG1 LYS 94 -15.539 -7.619 7.175 756 HG3 LYS 94 HG2 LYS 94 -16.559 -7.717 8.634 757 HD2 LYS 94 HD1 LYS 94 -17.413 -5.462 8.215 758 HD3 LYS 94 HD2 LYS 94 -16.325 -5.283 6.808 759 HE2 LYS 94 HE1 LYS 94 -18.636 -5.796 6.129 760 HE3 LYS 94 HE2 LYS 94 -17.460 -7.019 5.602 761 HZ1 LYS 94 HZ1 LYS 94 -18.202 -8.404 7.427 762 HZ2 LYS 94 HZ2 LYS 94 -19.488 -8.001 6.483 763 HZ3 LYS 94 HZ3 LYS 94 -19.269 -7.261 7.939 764 H ALA 95 H ALA 95 -14.223 -3.945 10.049 765 HA ALA 95 HA ALA 95 -11.524 -3.431 10.999 766 HB1 ALA 95 HB1 ALA 95 -12.741 -2.573 12.959 767 HB2 ALA 95 HB2 ALA 95 -13.381 -1.867 11.473 768 HB3 ALA 95 HB3 ALA 95 -14.278 -3.172 12.302 769 H GLY 96 H GLY 96 -10.472 -4.632 12.313 770 HA2 GLY 96 HA3 GLY 96 -9.817 -6.342 13.729 771 HA3 GLY 96 HA2 GLY 96 -11.489 -6.945 13.744 772 H GLU 97 H GLU 97 -10.585 -6.901 10.481 773 HA GLU 97 HA GLU 97 -9.966 -9.794 10.563 774 HB2 GLU 97 HB1 GLU 97 -10.662 -7.908 8.320 775 HB3 GLU 97 HB2 GLU 97 -10.013 -9.533 7.984 776 HG2 GLU 97 HG1 GLU 97 -11.765 -10.511 9.431 777 HG3 GLU 97 HG2 GLU 97 -12.543 -8.939 9.511 778 H GLU 98 H GLU 98 -8.360 -10.088 8.291 779 HA GLU 98 HA GLU 98 -5.672 -9.536 9.267 780 HB2 GLU 98 HB1 GLU 98 -5.315 -11.892 9.791 781 HB3 GLU 98 HB2 GLU 98 -6.659 -11.281 10.782 782 HG2 GLU 98 HG1 GLU 98 -8.197 -12.217 8.939 783 HG3 GLU 98 HG2 GLU 98 -6.765 -13.087 8.339 784 H VAL 99 H VAL 99 -4.511 -9.390 7.434 785 HA VAL 99 HA VAL 99 -5.240 -10.994 5.015 786 HB VAL 99 HB VAL 99 -5.074 -7.964 5.224 787 HG11 VAL 99 HG11 VAL 99 -3.708 -8.440 3.299 788 HG12 VAL 99 HG12 VAL 99 -4.824 -9.700 2.738 789 HG13 VAL 99 HG13 VAL 99 -5.298 -7.986 2.686 790 HG21 VAL 99 HG21 VAL 99 -7.247 -8.084 4.042 791 HG22 VAL 99 HG22 VAL 99 -7.163 -9.863 4.036 792 HG23 VAL 99 HG23 VAL 99 -7.333 -8.981 5.551 793 H GLU 100 H GLU 100 -3.610 -11.945 4.152 794 HA GLU 100 HA GLU 100 -0.851 -11.128 4.721 795 HB2 GLU 100 HB1 GLU 100 -0.133 -13.038 3.528 796 HB3 GLU 100 HB2 GLU 100 -1.451 -13.537 4.598 797 HG2 GLU 100 HG1 GLU 100 -3.012 -13.518 2.683 798 HG3 GLU 100 HG2 GLU 100 -1.697 -12.971 1.609 799 H LEU 101 H LEU 101 0.631 -10.504 3.191 800 HA LEU 101 HA LEU 101 -0.213 -9.580 0.525 801 HB2 LEU 101 HB1 LEU 101 0.546 -7.873 2.865 802 HB3 LEU 101 HB2 LEU 101 1.319 -7.445 1.324 803 HG LEU 101 HG LEU 101 -1.642 -7.928 1.250 804 HD11 LEU 101 HD11 LEU 101 -1.498 -6.670 3.295 805 HD12 LEU 101 HD12 LEU 101 -2.140 -5.656 1.989 806 HD13 LEU 101 HD13 LEU 101 -0.446 -5.455 2.509 807 HD21 LEU 101 HD21 LEU 101 -1.610 -6.088 -0.343 808 HD22 LEU 101 HD22 LEU 101 -0.286 -7.186 -0.760 809 HD23 LEU 101 HD23 LEU 101 0.068 -5.688 0.079 810 H ASP 102 H ASP 102 1.353 -9.437 -0.914 811 HA ASP 102 HA ASP 102 4.105 -10.480 -0.378 812 HB2 ASP 102 HB1 ASP 102 2.076 -10.847 -2.609 813 HB3 ASP 102 HB2 ASP 102 3.767 -11.238 -2.865 814 H LEU 103 H LEU 103 5.385 -8.622 -0.458 815 HA LEU 103 HA LEU 103 4.667 -6.379 -2.250 816 HB2 LEU 103 HB1 LEU 103 6.842 -6.891 -0.218 817 HB3 LEU 103 HB2 LEU 103 6.918 -5.518 -1.359 818 HG LEU 103 HG LEU 103 4.688 -4.758 -0.451 819 HD11 LEU 103 HD11 LEU 103 5.299 -6.869 1.666 820 HD12 LEU 103 HD12 LEU 103 3.837 -6.757 0.657 821 HD13 LEU 103 HD13 LEU 103 4.145 -5.541 1.891 822 HD21 LEU 103 HD21 LEU 103 6.814 -3.705 0.138 823 HD22 LEU 103 HD22 LEU 103 7.107 -4.923 1.397 824 HD23 LEU 103 HD23 LEU 103 5.783 -3.756 1.568 825 H LEU 104 H LEU 104 5.440 -6.024 -4.268 826 HA LEU 104 HA LEU 104 7.420 -7.948 -5.375 827 HB2 LEU 104 HB1 LEU 104 5.485 -6.036 -6.717 828 HB3 LEU 104 HB2 LEU 104 6.516 -7.176 -7.567 829 HG LEU 104 HG LEU 104 4.170 -7.799 -5.730 830 HD11 LEU 104 HD11 LEU 104 4.583 -8.282 -8.708 831 HD12 LEU 104 HD12 LEU 104 3.552 -7.031 -7.984 832 HD13 LEU 104 HD13 LEU 104 3.149 -8.739 -7.761 833 HD21 LEU 104 HD21 LEU 104 5.855 -9.556 -5.387 834 HD22 LEU 104 HD22 LEU 104 6.038 -9.760 -7.143 835 HD23 LEU 104 HD23 LEU 104 4.513 -10.193 -6.336 836 H PHE 105 H PHE 105 9.404 -7.262 -5.013 837 HA PHE 105 HA PHE 105 10.144 -4.439 -5.518 838 HB2 PHE 105 HB1 PHE 105 11.621 -6.737 -4.224 839 HB3 PHE 105 HB2 PHE 105 12.291 -5.118 -4.466 840 HD1 PHE 105 HD2 PHE 105 11.102 -3.134 -3.361 841 HD2 PHE 105 HD1 PHE 105 10.237 -7.229 -2.334 842 HE1 PHE 105 HE2 PHE 105 10.165 -2.391 -1.184 843 HE2 PHE 105 HE1 PHE 105 9.307 -6.481 -0.170 844 HZ PHE 105 HZ PHE 105 9.291 -4.062 0.421 845 H ALA 106 H ALA 106 11.598 -3.833 -7.040 846 HA ALA 106 HA ALA 106 11.660 -5.120 -9.491 847 HB1 ALA 106 HB1 ALA 106 13.703 -3.139 -8.406 848 HB2 ALA 106 HB2 ALA 106 13.365 -3.467 -10.117 849 HB3 ALA 106 HB3 ALA 106 12.119 -2.717 -9.101 850 H GLY 107 H GLY 107 12.825 -6.624 -10.502 851 HA2 GLY 107 HA3 GLY 107 14.585 -8.067 -11.005 852 HA3 GLY 107 HA2 GLY 107 15.450 -7.521 -9.551 853 H GLY 108 H GLY 108 12.138 -8.901 -9.738 854 HA2 GLY 108 HA3 GLY 108 11.340 -11.003 -9.371 855 HA3 GLY 108 HA2 GLY 108 13.019 -11.583 -9.298 856 H LYS 109 H LYS 109 12.422 -9.177 -6.916 857 HA LYS 109 HA LYS 109 12.469 -11.300 -4.820 858 HB2 LYS 109 HB1 LYS 109 13.178 -8.368 -4.905 859 HB3 LYS 109 HB2 LYS 109 12.893 -9.201 -3.352 860 HG2 LYS 109 HG1 LYS 109 14.764 -10.478 -3.508 861 HG3 LYS 109 HG2 LYS 109 14.678 -10.638 -5.269 862 HD2 LYS 109 HD1 LYS 109 15.487 -8.053 -3.863 863 HD3 LYS 109 HD2 LYS 109 16.654 -9.297 -4.385 864 HE2 LYS 109 HE1 LYS 109 16.123 -9.004 -6.674 865 HE3 LYS 109 HE2 LYS 109 14.593 -8.175 -6.311 866 HZ1 LYS 109 HZ1 LYS 109 16.069 -6.582 -7.039 867 HZ2 LYS 109 HZ2 LYS 109 17.314 -7.069 -6.048 868 HZ3 LYS 109 HZ3 LYS 109 15.963 -6.343 -5.438 869 H VAL 110 H VAL 110 10.628 -11.986 -4.148 870 HA VAL 110 HA VAL 110 8.401 -10.091 -3.641 871 HB VAL 110 HB VAL 110 7.726 -11.752 -5.244 872 HG11 VAL 110 HG11 VAL 110 9.262 -13.612 -4.671 873 HG12 VAL 110 HG12 VAL 110 8.329 -13.921 -3.189 874 HG13 VAL 110 HG13 VAL 110 7.577 -14.137 -4.777 875 HG21 VAL 110 HG21 VAL 110 6.405 -12.396 -2.573 876 HG22 VAL 110 HG22 VAL 110 6.095 -10.929 -3.523 877 HG23 VAL 110 HG23 VAL 110 5.694 -12.521 -4.193 878 H LEU 111 H LEU 111 7.692 -9.806 -1.605 879 HA LEU 111 HA LEU 111 8.871 -11.521 0.554 880 HB2 LEU 111 HB1 LEU 111 10.087 -9.417 0.288 881 HB3 LEU 111 HB2 LEU 111 8.571 -8.504 0.445 882 HG LEU 111 HG LEU 111 8.354 -9.190 2.782 883 HD11 LEU 111 HD11 LEU 111 10.941 -10.756 2.338 884 HD12 LEU 111 HD12 LEU 111 9.348 -11.434 2.762 885 HD13 LEU 111 HD13 LEU 111 10.207 -10.422 3.921 886 HD21 LEU 111 HD21 LEU 111 11.142 -8.156 2.082 887 HD22 LEU 111 HD22 LEU 111 10.360 -8.010 3.666 888 HD23 LEU 111 HD23 LEU 111 9.666 -7.180 2.261 889 H LYS 112 H LYS 112 7.308 -12.632 1.462 890 HA LYS 112 HA LYS 112 4.576 -11.647 1.581 891 HB2 LYS 112 HB1 LYS 112 5.134 -14.007 1.083 892 HB3 LYS 112 HB2 LYS 112 5.748 -14.205 2.736 893 HG2 LYS 112 HG1 LYS 112 3.565 -13.751 3.671 894 HG3 LYS 112 HG2 LYS 112 2.903 -13.275 2.104 895 HD2 LYS 112 HD1 LYS 112 3.910 -16.063 2.789 896 HD3 LYS 112 HD2 LYS 112 2.208 -15.557 2.901 897 HE2 LYS 112 HE1 LYS 112 3.868 -15.603 0.346 898 HE3 LYS 112 HE2 LYS 112 2.696 -16.848 0.845 899 HZ1 LYS 112 HZ1 LYS 112 1.006 -15.035 0.851 900 HZ2 LYS 112 HZ2 LYS 112 1.638 -15.310 -0.660 901 HZ3 LYS 112 HZ3 LYS 112 2.155 -14.038 0.164 902 H VAL 113 H VAL 113 3.535 -10.780 3.239 903 HA VAL 113 HA VAL 113 4.509 -10.875 6.053 904 HB VAL 113 HB VAL 113 3.962 -8.414 6.235 905 HG11 VAL 113 HG11 VAL 113 6.333 -8.960 4.397 906 HG12 VAL 113 HG12 VAL 113 6.192 -7.747 5.684 907 HG13 VAL 113 HG13 VAL 113 6.304 -9.450 6.103 908 HG21 VAL 113 HG21 VAL 113 2.707 -8.120 4.135 909 HG22 VAL 113 HG22 VAL 113 4.038 -6.969 4.301 910 HG23 VAL 113 HG23 VAL 113 4.203 -8.360 3.211 911 H VAL 114 H VAL 114 2.826 -10.086 7.621 912 HA VAL 114 HA VAL 114 0.049 -10.318 6.556 913 HB VAL 114 HB VAL 114 1.012 -11.723 9.076 914 HG11 VAL 114 HG11 VAL 114 -1.694 -11.715 7.653 915 HG12 VAL 114 HG12 VAL 114 -1.264 -12.760 9.024 916 HG13 VAL 114 HG13 VAL 114 -1.341 -11.011 9.245 917 HG21 VAL 114 HG21 VAL 114 0.524 -13.840 7.849 918 HG22 VAL 114 HG22 VAL 114 0.259 -12.902 6.364 919 HG23 VAL 114 HG23 VAL 114 1.865 -12.950 7.128 920 H LEU 115 H LEU 115 -1.315 -8.886 7.301 921 HA LEU 115 HA LEU 115 -0.729 -7.203 9.687 922 HB2 LEU 115 HB1 LEU 115 -1.471 -5.262 8.205 923 HB3 LEU 115 HB2 LEU 115 0.219 -5.769 8.254 924 HG LEU 115 HG LEU 115 -1.657 -6.663 6.024 925 HD11 LEU 115 HD11 LEU 115 -0.036 -4.088 6.213 926 HD12 LEU 115 HD12 LEU 115 -1.808 -4.224 6.185 927 HD13 LEU 115 HD13 LEU 115 -0.885 -4.674 4.762 928 HD21 LEU 115 HD21 LEU 115 0.481 -7.816 5.905 929 HD22 LEU 115 HD22 LEU 115 1.377 -6.338 6.313 930 HD23 LEU 115 HD23 LEU 115 0.584 -6.509 4.740 931 HA PRO 116 HA PRO 116 -5.151 -7.589 10.173 932 HB2 PRO 116 HB1 PRO 116 -5.774 -5.406 11.693 933 HB3 PRO 116 HB2 PRO 116 -4.832 -6.794 12.325 934 HG2 PRO 116 HG1 PRO 116 -3.754 -4.189 11.188 935 HG3 PRO 116 HG2 PRO 116 -3.321 -4.971 12.753 936 HD2 PRO 116 HD1 PRO 116 -1.784 -5.329 10.559 937 HD3 PRO 116 HD2 PRO 116 -2.126 -6.692 11.667 938 H VAL 117 H VAL 117 -7.215 -6.514 9.724 939 HA VAL 117 HA VAL 117 -7.073 -4.358 7.646 940 HB VAL 117 HB VAL 117 -9.372 -6.154 8.427 941 HG11 VAL 117 HG11 VAL 117 -9.085 -4.307 6.002 942 HG12 VAL 117 HG12 VAL 117 -10.467 -5.358 6.372 943 HG13 VAL 117 HG13 VAL 117 -10.121 -3.975 7.407 944 HG21 VAL 117 HG21 VAL 117 -7.611 -6.351 5.964 945 HG22 VAL 117 HG22 VAL 117 -7.605 -7.474 7.331 946 HG23 VAL 117 HG23 VAL 117 -9.043 -7.342 6.322 947 H GLU 118 H GLU 118 -7.991 -2.316 8.151 948 HA GLU 118 HA GLU 118 -9.821 -2.060 10.362 949 HB2 GLU 118 HB1 GLU 118 -6.963 -1.336 10.668 950 HB3 GLU 118 HB2 GLU 118 -8.081 -0.053 11.177 951 HG2 GLU 118 HG1 GLU 118 -7.868 -2.868 12.251 952 HG3 GLU 118 HG2 GLU 118 -7.614 -1.341 13.112 953 H ALA 119 H ALA 119 -10.406 0.120 10.931 954 HA ALA 119 HA ALA 119 -11.888 0.859 8.629 955 HB1 ALA 119 HB1 ALA 119 -11.991 1.815 11.500 956 HB2 ALA 119 HB2 ALA 119 -13.276 2.020 10.290 957 HB3 ALA 119 HB3 ALA 119 -12.821 0.394 10.840 958 H ARG 120 H ARG 120 -12.280 2.590 7.612 959 HA ARG 120 HA ARG 120 -12.702 5.080 8.227 960 HB2 ARG 120 HB1 ARG 120 -10.966 6.550 7.442 961 HB3 ARG 120 HB2 ARG 120 -10.358 5.564 8.782 962 HG2 ARG 120 HG1 ARG 120 -8.576 5.416 7.368 963 HG3 ARG 120 HG2 ARG 120 -9.483 4.024 6.768 964 HD2 ARG 120 HD1 ARG 120 -8.651 5.280 4.902 965 HD3 ARG 120 HD2 ARG 120 -10.390 5.465 4.920 966 HE ARG 120 HE ARG 120 -8.325 7.497 5.600 967 HH11 ARG 120 HH12 ARG 120 -11.820 6.956 5.224 968 HH12 ARG 120 HH11 ARG 120 -12.117 8.635 4.979 969 HH21 ARG 120 HH22 ARG 120 -8.844 9.631 5.274 970 HH22 ARG 120 HH21 ARG 120 -10.496 10.085 4.987 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 13.149 1.789 20.529 2 H2 GLY 1 2H GLY 1 14.338 2.870 20.141 3 H3 GLY 1 3H GLY 1 14.572 1.243 19.943 4 HA2 GLY 1 HA3 GLY 1 12.603 2.841 18.454 5 HA3 GLY 1 HA2 GLY 1 14.174 2.302 17.817 6 H SER 2 H SER 2 11.835 1.479 16.479 7 HA SER 2 HA SER 2 11.676 -1.404 16.798 8 HB2 SER 2 HB1 SER 2 9.201 -1.229 17.431 9 HB3 SER 2 HB2 SER 2 10.387 -0.940 18.729 10 HG SER 2 HG SER 2 8.470 0.605 18.250 11 H PHE 3 H PHE 3 9.834 -2.292 15.480 12 HA PHE 3 HA PHE 3 9.528 -0.882 12.899 13 HB2 PHE 3 HB1 PHE 3 8.675 -3.043 12.142 14 HB3 PHE 3 HB2 PHE 3 10.295 -3.188 12.835 15 HD1 PHE 3 HD1 PHE 3 6.692 -3.971 13.314 16 HD2 PHE 3 HD2 PHE 3 10.687 -4.496 14.862 17 HE1 PHE 3 HE1 PHE 3 5.870 -5.730 14.849 18 HE2 PHE 3 HE2 PHE 3 9.854 -6.255 16.399 19 HZ PHE 3 HZ PHE 3 7.445 -6.870 16.403 20 H THR 4 H THR 4 7.342 -1.211 11.881 21 HA THR 4 HA THR 4 4.955 -1.359 13.538 22 HB THR 4 HB THR 4 4.138 0.676 11.909 23 HG1 THR 4 HG1 THR 4 5.671 2.070 11.490 24 HG21 THR 4 HG21 THR 4 3.739 0.530 14.335 25 HG22 THR 4 HG22 THR 4 4.279 2.150 13.871 26 HG23 THR 4 HG23 THR 4 5.415 1.030 14.653 27 H GLU 5 H GLU 5 3.033 -1.545 12.025 28 HA GLU 5 HA GLU 5 3.666 -2.710 9.392 29 HB2 GLU 5 HB1 GLU 5 3.687 -4.596 10.872 30 HB3 GLU 5 HB2 GLU 5 2.154 -4.098 11.610 31 HG2 GLU 5 HG1 GLU 5 1.828 -5.977 10.138 32 HG3 GLU 5 HG2 GLU 5 0.976 -4.576 9.501 33 H GLY 6 H GLY 6 1.803 -2.680 8.022 34 HA2 GLY 6 HA3 GLY 6 0.027 -0.358 8.622 35 HA3 GLY 6 HA2 GLY 6 0.308 -1.084 7.024 36 H TRP 7 H TRP 7 -2.260 -0.504 7.956 37 HA TRP 7 HA TRP 7 -3.442 -3.218 8.358 38 HB2 TRP 7 HB1 TRP 7 -5.422 -2.136 9.169 39 HB3 TRP 7 HB2 TRP 7 -4.009 -1.666 10.124 40 HD1 TRP 7 HD TRP 7 -6.839 -0.264 8.114 41 HE1 TRP 7 HE1 TRP 7 -6.878 2.275 8.327 42 HE3 TRP 7 3HE TRP 7 -2.338 0.396 10.446 43 HZ2 TRP 7 HZ2 TRP 7 -5.038 4.381 9.177 44 HZ3 TRP 7 HZ3 TRP 7 -1.591 2.661 11.100 45 HH2 TRP 7 HH TRP 7 -2.947 4.650 10.515 46 H VAL 8 H VAL 8 -5.544 -3.543 7.315 47 HA VAL 8 HA VAL 8 -5.612 -2.550 4.489 48 HB VAL 8 HB VAL 8 -7.417 -4.609 5.822 49 HG11 VAL 8 HG11 VAL 8 -8.478 -3.591 3.852 50 HG12 VAL 8 HG12 VAL 8 -7.008 -3.856 2.888 51 HG13 VAL 8 HG13 VAL 8 -7.973 -5.233 3.463 52 HG21 VAL 8 HG21 VAL 8 -5.205 -5.527 5.799 53 HG22 VAL 8 HG22 VAL 8 -6.095 -6.272 4.467 54 HG23 VAL 8 HG23 VAL 8 -4.923 -4.980 4.122 55 H ARG 9 H ARG 9 -7.045 -1.040 3.835 56 HA ARG 9 HA ARG 9 -8.894 0.208 5.753 57 HB2 ARG 9 HB1 ARG 9 -7.415 1.344 3.942 58 HB3 ARG 9 HB2 ARG 9 -8.657 0.864 2.794 59 HG2 ARG 9 HG1 ARG 9 -9.085 2.570 5.278 60 HG3 ARG 9 HG2 ARG 9 -8.916 3.176 3.605 61 HD2 ARG 9 HD1 ARG 9 -11.099 3.049 3.338 62 HD3 ARG 9 HD2 ARG 9 -11.056 1.309 3.559 63 HE ARG 9 HE ARG 9 -10.977 2.653 6.128 64 HH11 ARG 9 HH12 ARG 9 -13.368 1.673 3.720 65 HH12 ARG 9 HH11 ARG 9 -14.676 2.362 4.648 66 HH21 ARG 9 HH22 ARG 9 -12.567 3.172 7.310 67 HH22 ARG 9 HH21 ARG 9 -14.251 3.098 6.798 68 H PHE 10 H PHE 10 -10.605 -0.998 6.176 69 HA PHE 10 HA PHE 10 -11.970 -2.974 4.926 70 HB2 PHE 10 HB1 PHE 10 -12.448 -2.220 7.130 71 HB3 PHE 10 HB2 PHE 10 -12.872 -0.589 6.567 72 HD1 PHE 10 HD2 PHE 10 -15.035 -0.179 5.406 73 HD2 PHE 10 HD1 PHE 10 -14.080 -3.959 7.225 74 HE1 PHE 10 HE2 PHE 10 -17.393 -0.865 5.195 75 HE2 PHE 10 HE1 PHE 10 -16.463 -4.629 7.087 76 HZ PHE 10 HZ PHE 10 -18.134 -3.091 6.053 77 H SER 11 H SER 11 -13.710 -3.294 3.476 78 HA SER 11 HA SER 11 -15.271 -0.998 2.627 79 HB2 SER 11 HB1 SER 11 -13.396 -1.134 0.944 80 HB3 SER 11 HB2 SER 11 -13.929 -2.778 0.540 81 HG SER 11 HG SER 11 -14.726 -1.234 -0.879 82 HA PRO 12 HA PRO 12 -18.164 -4.511 2.249 83 HB2 PRO 12 HB1 PRO 12 -20.450 -3.232 1.675 84 HB3 PRO 12 HB2 PRO 12 -19.653 -2.956 3.255 85 HG2 PRO 12 HG1 PRO 12 -19.482 -1.238 0.759 86 HG3 PRO 12 HG2 PRO 12 -19.824 -0.708 2.445 87 HD2 PRO 12 HD1 PRO 12 -17.299 -0.669 1.256 88 HD3 PRO 12 HD2 PRO 12 -17.572 -0.810 3.012 89 H GLY 13 H GLY 13 -16.778 -2.645 -0.207 90 HA2 GLY 13 HA3 GLY 13 -18.498 -3.721 -2.376 91 HA3 GLY 13 HA2 GLY 13 -17.561 -2.211 -2.436 92 HA PRO 14 HA PRO 14 -15.373 -5.788 -4.602 93 HB2 PRO 14 HB1 PRO 14 -15.205 -4.678 -7.111 94 HB3 PRO 14 HB2 PRO 14 -16.617 -5.602 -6.530 95 HG2 PRO 14 HG1 PRO 14 -16.238 -2.595 -6.567 96 HG3 PRO 14 HG2 PRO 14 -17.660 -3.540 -7.139 97 HD2 PRO 14 HD1 PRO 14 -17.623 -2.386 -4.679 98 HD3 PRO 14 HD2 PRO 14 -18.344 -4.004 -4.920 99 H ASN 15 H ASN 15 -14.673 -2.341 -4.305 100 HA ASN 15 HA ASN 15 -11.818 -2.867 -4.684 101 HB2 ASN 15 HB1 ASN 15 -11.607 -0.489 -5.002 102 HB3 ASN 15 HB2 ASN 15 -12.767 -1.150 -6.139 103 HD21 ASN 15 HD21 ASN 15 -14.941 -0.372 -6.050 104 HD22 ASN 15 HD22 ASN 15 -15.415 0.889 -4.915 105 H ALA 16 H ALA 16 -10.349 -2.030 -3.275 106 HA ALA 16 HA ALA 16 -11.017 -0.919 -0.633 107 HB1 ALA 16 HB1 ALA 16 -9.860 -2.747 0.573 108 HB2 ALA 16 HB2 ALA 16 -11.263 -3.363 -0.312 109 HB3 ALA 16 HB3 ALA 16 -9.634 -3.628 -0.959 110 H ALA 17 H ALA 17 -8.654 -0.890 0.609 111 HA ALA 17 HA ALA 17 -6.449 -0.183 -1.218 112 HB1 ALA 17 HB1 ALA 17 -7.749 1.900 -1.100 113 HB2 ALA 17 HB2 ALA 17 -7.730 1.842 0.676 114 HB3 ALA 17 HB3 ALA 17 -6.216 2.073 -0.219 115 H ALA 18 H ALA 18 -4.376 -0.088 -0.013 116 HA ALA 18 HA ALA 18 -4.485 -0.942 2.859 117 HB1 ALA 18 HB1 ALA 18 -2.994 -2.836 2.372 118 HB2 ALA 18 HB2 ALA 18 -4.517 -2.981 1.484 119 HB3 ALA 18 HB3 ALA 18 -3.045 -2.453 0.637 120 H TYR 19 H TYR 19 -2.732 -0.547 4.134 121 HA TYR 19 HA TYR 19 -0.849 1.516 3.089 122 HB2 TYR 19 HB1 TYR 19 -1.940 1.115 5.886 123 HB3 TYR 19 HB2 TYR 19 -1.058 2.527 5.280 124 HD1 TYR 19 HD2 TYR 19 -2.259 3.597 3.059 125 HD2 TYR 19 HD1 TYR 19 -4.178 1.453 6.269 126 HE1 TYR 19 HE2 TYR 19 -4.388 4.819 2.603 127 HE2 TYR 19 HE1 TYR 19 -6.282 2.692 5.850 128 HH TYR 19 HH TYR 19 -7.311 4.358 4.619 129 H LEU 20 H LEU 20 -0.020 -1.358 3.182 130 HA LEU 20 HA LEU 20 1.254 -2.248 5.435 131 HB2 LEU 20 HB1 LEU 20 2.400 -3.798 4.061 132 HB3 LEU 20 HB2 LEU 20 0.768 -3.506 3.430 133 HG LEU 20 HG LEU 20 2.057 -1.876 1.772 134 HD11 LEU 20 HD11 LEU 20 4.329 -2.136 2.690 135 HD12 LEU 20 HD12 LEU 20 4.252 -2.847 1.084 136 HD13 LEU 20 HD13 LEU 20 4.227 -3.895 2.518 137 HD21 LEU 20 HD21 LEU 20 2.352 -3.912 0.253 138 HD22 LEU 20 HD22 LEU 20 0.751 -3.681 0.974 139 HD23 LEU 20 HD23 LEU 20 1.870 -4.905 1.627 140 H THR 21 H THR 21 3.483 -2.760 6.049 141 HA THR 21 HA THR 21 5.204 -0.395 5.896 142 HB THR 21 HB THR 21 5.471 -3.005 7.343 143 HG1 THR 21 HG1 THR 21 5.242 -1.544 8.997 144 HG21 THR 21 HG21 THR 21 7.420 -0.648 7.213 145 HG22 THR 21 HG22 THR 21 7.784 -2.331 6.747 146 HG23 THR 21 HG23 THR 21 7.460 -1.937 8.439 147 H LEU 22 H LEU 22 6.533 0.047 4.344 148 HA LEU 22 HA LEU 22 7.723 -2.072 2.640 149 HB2 LEU 22 HB1 LEU 22 6.937 0.443 2.021 150 HB3 LEU 22 HB2 LEU 22 8.602 0.806 2.517 151 HG LEU 22 HG LEU 22 8.633 0.606 0.191 152 HD11 LEU 22 HD11 LEU 22 10.462 -0.757 1.386 153 HD12 LEU 22 HD12 LEU 22 10.167 -1.095 -0.317 154 HD13 LEU 22 HD13 LEU 22 9.534 -2.195 0.927 155 HD21 LEU 22 HD21 LEU 22 7.742 -1.332 -1.053 156 HD22 LEU 22 HD22 LEU 22 6.489 -0.438 -0.191 157 HD23 LEU 22 HD23 LEU 22 7.066 -1.992 0.450 158 H GLU 23 H GLU 23 9.884 -2.729 2.891 159 HA GLU 23 HA GLU 23 11.638 -1.280 4.698 160 HB2 GLU 23 HB1 GLU 23 12.042 -3.046 6.230 161 HB3 GLU 23 HB2 GLU 23 10.290 -2.701 6.189 162 HG2 GLU 23 HG1 GLU 23 10.274 -4.978 6.280 163 HG3 GLU 23 HG2 GLU 23 10.191 -4.736 4.541 164 H ASN 24 H ASN 24 13.755 -2.429 4.887 165 HA ASN 24 HA ASN 24 14.617 -3.953 2.541 166 HB2 ASN 24 HB1 ASN 24 14.536 -1.591 1.764 167 HB3 ASN 24 HB2 ASN 24 15.657 -1.130 3.052 168 HD21 ASN 24 HD21 ASN 24 16.632 -0.459 0.714 169 HD22 ASN 24 HD22 ASN 24 17.800 -1.651 0.115 170 HA PRO 25 HA PRO 25 17.399 -4.898 6.007 171 HB2 PRO 25 HB1 PRO 25 17.635 -7.570 5.632 172 HB3 PRO 25 HB2 PRO 25 16.076 -6.865 6.165 173 HG2 PRO 25 HG1 PRO 25 16.913 -7.555 3.327 174 HG3 PRO 25 HG2 PRO 25 15.417 -8.074 4.176 175 HD2 PRO 25 HD1 PRO 25 15.510 -5.886 2.528 176 HD3 PRO 25 HD2 PRO 25 14.473 -5.938 3.981 177 H GLY 26 H GLY 26 18.066 -4.744 2.647 178 HA2 GLY 26 HA3 GLY 26 20.662 -6.101 2.782 179 HA3 GLY 26 HA2 GLY 26 19.834 -5.470 1.340 180 H ASP 27 H ASP 27 22.326 -4.968 1.363 181 HA ASP 27 HA ASP 27 22.969 -2.287 2.417 182 HB2 ASP 27 HB1 ASP 27 24.443 -4.730 1.421 183 HB3 ASP 27 HB2 ASP 27 25.230 -3.147 1.466 184 H LEU 28 H LEU 28 21.423 -3.412 -0.140 185 HA LEU 28 HA LEU 28 22.323 -1.263 -1.964 186 HB2 LEU 28 HB1 LEU 28 21.751 -2.665 -3.866 187 HB3 LEU 28 HB2 LEU 28 23.001 -3.393 -2.808 188 HG LEU 28 HG LEU 28 21.032 -4.790 -1.834 189 HD11 LEU 28 HD11 LEU 28 19.118 -3.657 -2.894 190 HD12 LEU 28 HD12 LEU 28 19.242 -5.301 -3.502 191 HD13 LEU 28 HD13 LEU 28 19.805 -3.944 -4.506 192 HD21 LEU 28 HD21 LEU 28 21.345 -6.490 -3.601 193 HD22 LEU 28 HD22 LEU 28 22.875 -5.711 -3.182 194 HD23 LEU 28 HD23 LEU 28 22.033 -5.253 -4.678 195 HA PRO 29 HA PRO 29 18.239 0.144 -1.449 196 HB2 PRO 29 HB1 PRO 29 17.618 1.555 -3.692 197 HB3 PRO 29 HB2 PRO 29 18.928 2.034 -2.572 198 HG2 PRO 29 HG1 PRO 29 19.159 0.520 -5.177 199 HG3 PRO 29 HG2 PRO 29 20.173 1.883 -4.590 200 HD2 PRO 29 HD1 PRO 29 20.872 -0.796 -4.384 201 HD3 PRO 29 HD2 PRO 29 21.448 0.430 -3.238 202 H LEU 30 H LEU 30 16.101 -0.397 -1.654 203 HA LEU 30 HA LEU 30 15.338 -2.496 -3.625 204 HB2 LEU 30 HB1 LEU 30 14.645 -1.961 -0.779 205 HB3 LEU 30 HB2 LEU 30 13.304 -2.525 -1.787 206 HG LEU 30 HG LEU 30 14.553 -4.256 -0.499 207 HD11 LEU 30 HD11 LEU 30 14.552 -5.903 -2.409 208 HD12 LEU 30 HD12 LEU 30 14.194 -4.529 -3.487 209 HD13 LEU 30 HD13 LEU 30 13.089 -4.960 -2.156 210 HD21 LEU 30 HD21 LEU 30 16.883 -3.390 -1.087 211 HD22 LEU 30 HD22 LEU 30 16.644 -4.097 -2.695 212 HD23 LEU 30 HD23 LEU 30 16.638 -5.142 -1.262 213 H ARG 31 H ARG 31 13.211 -2.532 -4.298 214 HA ARG 31 HA ARG 31 11.889 0.063 -4.774 215 HB2 ARG 31 HB1 ARG 31 13.891 0.013 -6.303 216 HB3 ARG 31 HB2 ARG 31 13.163 -1.411 -7.096 217 HG2 ARG 31 HG1 ARG 31 11.752 -0.130 -8.307 218 HG3 ARG 31 HG2 ARG 31 11.311 0.882 -6.915 219 HD2 ARG 31 HD1 ARG 31 12.317 2.243 -8.654 220 HD3 ARG 31 HD2 ARG 31 13.326 2.227 -7.204 221 HE ARG 31 HE ARG 31 13.960 0.307 -9.364 222 HH11 ARG 31 HH12 ARG 31 14.883 3.436 -7.848 223 HH12 ARG 31 HH11 ARG 31 16.458 3.332 -8.457 224 HH21 ARG 31 HH22 ARG 31 16.036 0.385 -10.257 225 HH22 ARG 31 HH21 ARG 31 17.041 1.772 -9.942 226 H LEU 32 H LEU 32 9.868 -0.464 -4.463 227 HA LEU 32 HA LEU 32 8.757 -3.104 -5.228 228 HB2 LEU 32 HB1 LEU 32 8.248 -2.182 -3.005 229 HB3 LEU 32 HB2 LEU 32 7.578 -0.706 -3.711 230 HG LEU 32 HG LEU 32 6.460 -3.332 -4.678 231 HD11 LEU 32 HD11 LEU 32 5.660 -2.297 -1.941 232 HD12 LEU 32 HD12 LEU 32 6.739 -3.681 -2.234 233 HD13 LEU 32 HD13 LEU 32 5.066 -3.745 -2.785 234 HD21 LEU 32 HD21 LEU 32 5.028 -0.784 -3.782 235 HD22 LEU 32 HD22 LEU 32 4.364 -2.133 -4.744 236 HD23 LEU 32 HD23 LEU 32 5.554 -1.079 -5.444 237 H VAL 33 H VAL 33 7.747 -3.326 -7.159 238 HA VAL 33 HA VAL 33 6.862 -0.837 -8.623 239 HB VAL 33 HB VAL 33 7.136 -2.082 -10.705 240 HG11 VAL 33 HG11 VAL 33 9.569 -2.214 -10.796 241 HG12 VAL 33 HG12 VAL 33 9.098 -0.829 -9.808 242 HG13 VAL 33 HG13 VAL 33 9.681 -2.313 -9.030 243 HG21 VAL 33 HG21 VAL 33 6.718 -4.415 -9.935 244 HG22 VAL 33 HG22 VAL 33 8.240 -4.278 -10.817 245 HG23 VAL 33 HG23 VAL 33 8.257 -4.396 -9.049 246 H GLY 34 H GLY 34 5.795 -3.736 -7.051 247 HA2 GLY 34 HA3 GLY 34 3.027 -3.416 -7.907 248 HA3 GLY 34 HA2 GLY 34 3.817 -4.923 -8.421 249 H ALA 35 H ALA 35 1.785 -5.510 -7.063 250 HA ALA 35 HA ALA 35 2.822 -6.745 -4.650 251 HB1 ALA 35 HB1 ALA 35 2.036 -4.715 -3.640 252 HB2 ALA 35 HB2 ALA 35 0.468 -4.814 -4.491 253 HB3 ALA 35 HB3 ALA 35 0.896 -5.978 -3.219 254 H ARG 36 H ARG 36 0.930 -8.044 -3.642 255 HA ARG 36 HA ARG 36 -1.167 -9.011 -5.373 256 HB2 ARG 36 HB1 ARG 36 1.394 -10.455 -5.152 257 HB3 ARG 36 HB2 ARG 36 0.038 -11.476 -4.659 258 HG2 ARG 36 HG1 ARG 36 0.229 -10.022 -7.306 259 HG3 ARG 36 HG2 ARG 36 0.651 -11.730 -7.014 260 HD2 ARG 36 HD1 ARG 36 -1.622 -12.312 -6.578 261 HD3 ARG 36 HD2 ARG 36 -2.103 -10.615 -6.362 262 HE ARG 36 HE ARG 36 -1.039 -11.323 -8.993 263 HH11 ARG 36 HH12 ARG 36 -4.102 -10.856 -7.126 264 HH12 ARG 36 HH11 ARG 36 -4.916 -10.376 -8.579 265 HH21 ARG 36 HH22 ARG 36 -2.392 -10.869 -10.792 266 HH22 ARG 36 HH21 ARG 36 -4.050 -10.390 -10.481 267 H THR 37 H THR 37 -2.295 -10.865 -4.160 268 HA THR 37 HA THR 37 -2.095 -11.506 -1.494 269 HB THR 37 HB THR 37 -2.570 -9.309 -0.743 270 HG1 THR 37 HG1 THR 37 -3.685 -10.427 0.555 271 HG21 THR 37 HG21 THR 37 -5.074 -9.300 -2.479 272 HG22 THR 37 HG22 THR 37 -3.628 -8.304 -2.770 273 HG23 THR 37 HG23 THR 37 -4.598 -8.049 -1.315 274 HA PRO 38 HA PRO 38 -4.977 -14.224 -3.416 275 HB2 PRO 38 HB1 PRO 38 -6.080 -15.603 -1.305 276 HB3 PRO 38 HB2 PRO 38 -4.404 -15.812 -1.911 277 HG2 PRO 38 HG1 PRO 38 -5.333 -14.189 0.448 278 HG3 PRO 38 HG2 PRO 38 -3.929 -15.311 0.350 279 HD2 PRO 38 HD1 PRO 38 -3.720 -12.582 0.086 280 HD3 PRO 38 HD2 PRO 38 -2.624 -13.664 -0.783 281 H VAL 39 H VAL 39 -6.102 -11.841 -1.236 282 HA VAL 39 HA VAL 39 -8.945 -12.214 -2.061 283 HB VAL 39 HB VAL 39 -9.544 -10.680 -0.254 284 HG11 VAL 39 HG11 VAL 39 -7.743 -12.933 0.713 285 HG12 VAL 39 HG12 VAL 39 -9.091 -12.186 1.587 286 HG13 VAL 39 HG13 VAL 39 -9.399 -13.122 0.113 287 HG21 VAL 39 HG21 VAL 39 -6.615 -10.749 0.570 288 HG22 VAL 39 HG22 VAL 39 -7.382 -9.341 -0.197 289 HG23 VAL 39 HG23 VAL 39 -7.943 -9.903 1.388 290 H ALA 40 H ALA 40 -6.763 -10.941 -3.844 291 HA ALA 40 HA ALA 40 -8.677 -8.882 -4.813 292 HB1 ALA 40 HB1 ALA 40 -6.935 -7.216 -5.191 293 HB2 ALA 40 HB2 ALA 40 -6.985 -7.629 -3.465 294 HB3 ALA 40 HB3 ALA 40 -5.698 -8.283 -4.505 295 H GLU 41 H GLU 41 -8.784 -8.832 -7.022 296 HA GLU 41 HA GLU 41 -7.489 -11.033 -8.516 297 HB2 GLU 41 HB1 GLU 41 -9.919 -10.437 -8.607 298 HB3 GLU 41 HB2 GLU 41 -9.487 -8.883 -9.330 299 HG2 GLU 41 HG1 GLU 41 -8.506 -10.080 -11.275 300 HG3 GLU 41 HG2 GLU 41 -8.963 -11.632 -10.530 301 H ARG 42 H ARG 42 -7.634 -7.505 -8.383 302 HA ARG 42 HA ARG 42 -5.339 -7.122 -10.204 303 HB2 ARG 42 HB1 ARG 42 -7.871 -5.427 -10.048 304 HB3 ARG 42 HB2 ARG 42 -6.535 -5.237 -11.197 305 HG2 ARG 42 HG1 ARG 42 -7.116 -7.403 -12.234 306 HG3 ARG 42 HG2 ARG 42 -8.437 -7.620 -11.049 307 HD2 ARG 42 HD1 ARG 42 -9.369 -5.402 -11.983 308 HD3 ARG 42 HD2 ARG 42 -8.313 -5.722 -13.368 309 HE ARG 42 HE ARG 42 -9.996 -7.996 -12.476 310 HH11 ARG 42 HH12 ARG 42 -9.943 -5.340 -14.804 311 HH12 ARG 42 HH11 ARG 42 -11.233 -6.063 -15.729 312 HH21 ARG 42 HH22 ARG 42 -11.501 -8.806 -13.549 313 HH22 ARG 42 HH21 ARG 42 -12.150 -8.100 -15.031 314 H VAL 43 H VAL 43 -4.236 -5.174 -9.670 315 HA VAL 43 HA VAL 43 -4.808 -3.824 -7.159 316 HB VAL 43 HB VAL 43 -3.421 -5.869 -6.553 317 HG11 VAL 43 HG11 VAL 43 -1.019 -5.805 -6.852 318 HG12 VAL 43 HG12 VAL 43 -1.813 -5.856 -8.435 319 HG13 VAL 43 HG13 VAL 43 -1.105 -4.339 -7.823 320 HG21 VAL 43 HG21 VAL 43 -2.257 -3.161 -5.807 321 HG22 VAL 43 HG22 VAL 43 -3.636 -3.975 -5.028 322 HG23 VAL 43 HG23 VAL 43 -2.023 -4.685 -4.931 323 H GLU 44 H GLU 44 -3.838 -1.789 -7.066 324 HA GLU 44 HA GLU 44 -2.073 -0.881 -9.305 325 HB2 GLU 44 HB1 GLU 44 -4.566 0.459 -8.192 326 HB3 GLU 44 HB2 GLU 44 -3.344 1.300 -9.175 327 HG2 GLU 44 HG1 GLU 44 -3.848 -0.004 -11.102 328 HG3 GLU 44 HG2 GLU 44 -4.822 -1.154 -10.160 329 H LEU 45 H LEU 45 -0.561 0.674 -8.650 330 HA LEU 45 HA LEU 45 -0.270 1.040 -5.693 331 HB2 LEU 45 HB1 LEU 45 1.581 -0.059 -6.859 332 HB3 LEU 45 HB2 LEU 45 1.684 1.305 -8.004 333 HG LEU 45 HG LEU 45 2.264 2.796 -6.050 334 HD11 LEU 45 HD11 LEU 45 2.701 0.206 -4.528 335 HD12 LEU 45 HD12 LEU 45 1.357 1.329 -4.194 336 HD13 LEU 45 HD13 LEU 45 3.030 1.849 -3.964 337 HD21 LEU 45 HD21 LEU 45 3.919 1.808 -7.595 338 HD22 LEU 45 HD22 LEU 45 4.018 0.370 -6.552 339 HD23 LEU 45 HD23 LEU 45 4.576 1.954 -5.956 340 H HIS 46 H HIS 46 -0.939 2.926 -4.880 341 HA HIS 46 HA HIS 46 -1.057 5.343 -6.636 342 HB2 HIS 46 HB1 HIS 46 -2.899 4.342 -4.434 343 HB3 HIS 46 HB2 HIS 46 -3.027 5.953 -5.158 344 HD2 HIS 46 HD2 HIS 46 -2.550 3.728 -8.039 345 HE1 HIS 46 HE1 HIS 46 -6.714 3.495 -7.256 346 HE2 HIS 46 HE2 HIS 46 -4.928 3.009 -8.995 347 H GLU 47 H GLU 47 -0.891 7.300 -5.770 348 HA GLU 47 HA GLU 47 0.232 7.618 -3.020 349 HB2 GLU 47 HB1 GLU 47 1.236 9.621 -3.617 350 HB3 GLU 47 HB2 GLU 47 1.594 8.467 -4.931 351 HG2 GLU 47 HG1 GLU 47 -0.030 9.495 -6.368 352 HG3 GLU 47 HG2 GLU 47 -0.582 10.577 -5.076 353 H THR 48 H THR 48 -0.610 9.487 -1.748 354 HA THR 48 HA THR 48 -3.251 10.605 -2.670 355 HB THR 48 HB THR 48 -2.191 9.905 0.097 356 HG1 THR 48 HG1 THR 48 -4.528 9.147 -1.259 357 HG21 THR 48 HG21 THR 48 -4.732 11.424 -0.704 358 HG22 THR 48 HG22 THR 48 -3.402 12.029 0.306 359 HG23 THR 48 HG23 THR 48 -4.450 10.744 0.910 360 H PHE 49 H PHE 49 -3.089 12.853 -2.844 361 HA PHE 49 HA PHE 49 -0.546 14.122 -1.912 362 HB2 PHE 49 HB1 PHE 49 -0.339 15.265 -4.003 363 HB3 PHE 49 HB2 PHE 49 -0.362 13.528 -4.248 364 HD1 PHE 49 HD2 PHE 49 -2.365 16.665 -4.554 365 HD2 PHE 49 HD1 PHE 49 -1.952 12.571 -5.808 366 HE1 PHE 49 HE2 PHE 49 -4.038 17.053 -6.332 367 HE2 PHE 49 HE1 PHE 49 -3.627 12.967 -7.612 368 HZ PHE 49 HZ PHE 49 -4.641 15.241 -7.892 369 H MET 50 H MET 50 -0.499 16.445 -2.152 370 HA MET 50 HA MET 50 -3.054 17.810 -1.411 371 HB2 MET 50 HB1 MET 50 -1.692 19.482 -0.278 372 HB3 MET 50 HB2 MET 50 -1.482 17.881 0.443 373 HG2 MET 50 HG1 MET 50 0.682 17.629 -0.608 374 HG3 MET 50 HG2 MET 50 0.453 19.087 -1.582 375 HE1 MET 50 HE1 MET 50 1.800 21.178 -0.970 376 HE2 MET 50 HE2 MET 50 2.973 20.953 0.346 377 HE3 MET 50 HE3 MET 50 2.812 19.710 -0.910 378 H ARG 51 H ARG 51 -3.533 19.783 -2.389 379 HA ARG 51 HA ARG 51 -1.843 20.824 -4.557 380 HB2 ARG 51 HB1 ARG 51 -3.696 18.810 -5.095 381 HB3 ARG 51 HB2 ARG 51 -4.574 20.288 -5.514 382 HG2 ARG 51 HG1 ARG 51 -1.783 20.066 -6.568 383 HG3 ARG 51 HG2 ARG 51 -2.978 18.922 -7.246 384 HD2 ARG 51 HD1 ARG 51 -4.393 20.675 -7.997 385 HD3 ARG 51 HD2 ARG 51 -3.491 21.884 -7.071 386 HE ARG 51 HE ARG 51 -2.107 20.395 -9.229 387 HH11 ARG 51 HH12 ARG 51 -3.475 23.529 -8.195 388 HH12 ARG 51 HH11 ARG 51 -2.625 24.386 -9.432 389 HH21 ARG 51 HH22 ARG 51 -1.086 21.608 -10.838 390 HH22 ARG 51 HH21 ARG 51 -1.313 23.330 -10.887 391 H GLU 52 H GLU 52 -2.437 22.966 -5.171 392 HA GLU 52 HA GLU 52 -4.497 24.307 -3.567 393 HB2 GLU 52 HB1 GLU 52 -2.113 25.098 -3.699 394 HB3 GLU 52 HB2 GLU 52 -2.306 25.282 -5.458 395 HG2 GLU 52 HG1 GLU 52 -2.596 27.433 -4.635 396 HG3 GLU 52 HG2 GLU 52 -4.247 26.905 -4.883 397 H VAL 53 H VAL 53 -6.366 25.104 -4.550 398 HA VAL 53 HA VAL 53 -6.350 25.518 -7.515 399 HB VAL 53 HB VAL 53 -8.589 24.141 -5.945 400 HG11 VAL 53 HG11 VAL 53 -8.481 25.073 -8.854 401 HG12 VAL 53 HG12 VAL 53 -9.715 23.976 -8.193 402 HG13 VAL 53 HG13 VAL 53 -9.602 25.623 -7.584 403 HG21 VAL 53 HG21 VAL 53 -6.803 22.553 -6.530 404 HG22 VAL 53 HG22 VAL 53 -8.223 22.259 -7.529 405 HG23 VAL 53 HG23 VAL 53 -6.827 23.114 -8.216 406 H GLU 54 H GLU 54 -6.764 27.628 -7.829 407 HA GLU 54 HA GLU 54 -7.462 29.767 -7.624 408 HB2 GLU 54 HB1 GLU 54 -9.671 28.621 -5.898 409 HB3 GLU 54 HB2 GLU 54 -9.669 30.253 -6.600 410 HG2 GLU 54 HG1 GLU 54 -10.030 29.436 -8.792 411 HG3 GLU 54 HG2 GLU 54 -9.701 27.757 -8.311 412 H GLY 55 H GLY 55 -5.736 28.580 -5.348 413 HA2 GLY 55 HA3 GLY 55 -4.681 29.583 -3.469 414 HA3 GLY 55 HA2 GLY 55 -5.939 30.839 -3.440 415 H LYS 56 H LYS 56 -6.896 27.527 -3.714 416 HA LYS 56 HA LYS 56 -7.731 27.382 -0.851 417 HB2 LYS 56 HB1 LYS 56 -9.361 26.216 -3.110 418 HB3 LYS 56 HB2 LYS 56 -9.848 26.473 -1.428 419 HG2 LYS 56 HG1 LYS 56 -10.118 28.835 -1.790 420 HG3 LYS 56 HG2 LYS 56 -9.311 28.761 -3.380 421 HD2 LYS 56 HD1 LYS 56 -11.125 27.219 -4.169 422 HD3 LYS 56 HD2 LYS 56 -12.007 27.551 -2.675 423 HE2 LYS 56 HE1 LYS 56 -12.192 29.913 -3.245 424 HE3 LYS 56 HE2 LYS 56 -11.000 29.715 -4.571 425 HZ1 LYS 56 HZ1 LYS 56 -12.629 28.165 -5.586 426 HZ2 LYS 56 HZ2 LYS 56 -13.009 29.674 -5.685 427 HZ3 LYS 56 HZ3 LYS 56 -13.789 28.716 -4.549 428 H LYS 57 H LYS 57 -6.461 25.853 0.001 429 HA LYS 57 HA LYS 57 -5.291 23.824 -1.590 430 HB2 LYS 57 HB1 LYS 57 -4.077 23.184 0.395 431 HB3 LYS 57 HB2 LYS 57 -4.072 24.950 0.107 432 HG2 LYS 57 HG1 LYS 57 -4.466 25.066 2.304 433 HG3 LYS 57 HG2 LYS 57 -6.145 24.764 1.857 434 HD2 LYS 57 HD1 LYS 57 -5.578 22.253 2.156 435 HD3 LYS 57 HD2 LYS 57 -4.078 22.795 2.930 436 HE2 LYS 57 HE1 LYS 57 -6.931 23.488 3.780 437 HE3 LYS 57 HE2 LYS 57 -5.855 22.344 4.602 438 HZ1 LYS 57 HZ1 LYS 57 -4.391 24.213 5.089 439 HZ2 LYS 57 HZ2 LYS 57 -5.904 24.549 5.649 440 HZ3 LYS 57 HZ3 LYS 57 -5.361 25.246 4.260 441 H VAL 58 H VAL 58 -5.967 21.944 -2.110 442 HA VAL 58 HA VAL 58 -7.976 20.392 -0.552 443 HB VAL 58 HB VAL 58 -8.766 19.608 -2.777 444 HG11 VAL 58 HG11 VAL 58 -10.123 21.559 -3.324 445 HG12 VAL 58 HG12 VAL 58 -9.966 21.399 -1.565 446 HG13 VAL 58 HG13 VAL 58 -9.012 22.621 -2.436 447 HG21 VAL 58 HG21 VAL 58 -8.247 20.783 -4.841 448 HG22 VAL 58 HG22 VAL 58 -7.130 21.867 -3.998 449 HG23 VAL 58 HG23 VAL 58 -6.755 20.135 -4.146 450 H MET 59 H MET 59 -7.999 18.068 -1.682 451 HA MET 59 HA MET 59 -5.221 17.052 -1.929 452 HB2 MET 59 HB1 MET 59 -7.325 16.077 0.028 453 HB3 MET 59 HB2 MET 59 -5.867 15.142 -0.432 454 HG2 MET 59 HG1 MET 59 -5.109 16.125 1.458 455 HG3 MET 59 HG2 MET 59 -4.576 17.301 0.262 456 HE1 MET 59 HE1 MET 59 -4.543 17.671 3.264 457 HE2 MET 59 HE2 MET 59 -5.846 18.639 3.997 458 HE3 MET 59 HE3 MET 59 -6.085 16.903 3.705 459 H GLY 60 H GLY 60 -5.110 14.827 -2.664 460 HA2 GLY 60 HA3 GLY 60 -7.274 13.882 -4.421 461 HA3 GLY 60 HA2 GLY 60 -5.827 14.544 -5.215 462 H MET 61 H MET 61 -6.147 12.180 -6.029 463 HA MET 61 HA MET 61 -4.084 10.506 -4.793 464 HB2 MET 61 HB1 MET 61 -6.066 9.721 -3.654 465 HB3 MET 61 HB2 MET 61 -6.995 9.748 -5.165 466 HG2 MET 61 HG1 MET 61 -5.365 7.960 -5.984 467 HG3 MET 61 HG2 MET 61 -4.851 7.818 -4.312 468 HE1 MET 61 HE1 MET 61 -8.395 8.571 -3.674 469 HE2 MET 61 HE2 MET 61 -8.858 6.947 -3.128 470 HE3 MET 61 HE3 MET 61 -7.390 7.715 -2.468 471 H ARG 62 H ARG 62 -3.119 9.147 -6.334 472 HA ARG 62 HA ARG 62 -4.247 8.763 -8.980 473 HB2 ARG 62 HB1 ARG 62 -2.461 9.820 -10.270 474 HB3 ARG 62 HB2 ARG 62 -3.337 11.023 -9.306 475 HG2 ARG 62 HG1 ARG 62 -1.507 11.007 -7.642 476 HG3 ARG 62 HG2 ARG 62 -0.627 9.803 -8.613 477 HD2 ARG 62 HD1 ARG 62 -0.427 11.401 -10.464 478 HD3 ARG 62 HD2 ARG 62 -1.364 12.601 -9.539 479 HE ARG 62 HE ARG 62 0.480 12.369 -7.781 480 HH11 ARG 62 HH12 ARG 62 1.419 11.930 -11.186 481 HH12 ARG 62 HH11 ARG 62 3.101 12.081 -10.746 482 HH21 ARG 62 HH22 ARG 62 2.492 12.283 -7.356 483 HH22 ARG 62 HH21 ARG 62 3.719 12.332 -8.565 484 HA PRO 63 HA PRO 63 -1.433 5.311 -8.642 485 HB2 PRO 63 HB1 PRO 63 -1.100 4.428 -11.178 486 HB3 PRO 63 HB2 PRO 63 -2.661 4.270 -10.318 487 HG2 PRO 63 HG1 PRO 63 -1.828 6.454 -12.250 488 HG3 PRO 63 HG2 PRO 63 -3.346 5.484 -12.264 489 HD2 PRO 63 HD1 PRO 63 -3.226 7.975 -11.132 490 HD3 PRO 63 HD2 PRO 63 -4.217 6.668 -10.419 491 H VAL 64 H VAL 64 0.714 4.667 -8.954 492 HA VAL 64 HA VAL 64 2.597 6.599 -10.213 493 HB VAL 64 HB VAL 64 4.051 6.527 -8.216 494 HG11 VAL 64 HG11 VAL 64 1.307 7.605 -7.499 495 HG12 VAL 64 HG12 VAL 64 2.890 8.142 -6.901 496 HG13 VAL 64 HG13 VAL 64 2.460 8.402 -8.596 497 HG21 VAL 64 HG21 VAL 64 3.243 5.794 -6.035 498 HG22 VAL 64 HG22 VAL 64 1.743 5.189 -6.758 499 HG23 VAL 64 HG23 VAL 64 3.311 4.447 -7.170 500 HA PRO 65 HA PRO 65 4.326 2.971 -11.766 501 HB2 PRO 65 HB1 PRO 65 6.861 3.567 -12.413 502 HB3 PRO 65 HB2 PRO 65 5.477 4.483 -13.085 503 HG2 PRO 65 HG1 PRO 65 7.237 5.235 -10.740 504 HG3 PRO 65 HG2 PRO 65 6.756 6.262 -12.137 505 HD2 PRO 65 HD1 PRO 65 5.458 6.301 -9.703 506 HD3 PRO 65 HD2 PRO 65 4.617 6.601 -11.241 507 H PHE 66 H PHE 66 6.050 4.034 -8.883 508 HA PHE 66 HA PHE 66 6.342 1.416 -7.802 509 HB2 PHE 66 HB1 PHE 66 8.738 1.126 -7.891 510 HB3 PHE 66 HB2 PHE 66 8.082 1.139 -9.515 511 HD1 PHE 66 HD1 PHE 66 10.037 2.960 -7.008 512 HD2 PHE 66 HD2 PHE 66 8.591 2.920 -11.031 513 HE1 PHE 66 HE1 PHE 66 11.497 4.900 -7.484 514 HE2 PHE 66 HE2 PHE 66 10.158 4.829 -11.607 515 HZ PHE 66 HZ PHE 66 11.594 5.817 -9.821 516 H LEU 67 H LEU 67 7.652 1.425 -5.849 517 HA LEU 67 HA LEU 67 8.152 4.090 -4.577 518 HB2 LEU 67 HB1 LEU 67 7.488 1.465 -3.171 519 HB3 LEU 67 HB2 LEU 67 7.818 3.014 -2.389 520 HG LEU 67 HG LEU 67 5.363 2.100 -3.886 521 HD11 LEU 67 HD11 LEU 67 5.561 1.627 -1.476 522 HD12 LEU 67 HD12 LEU 67 4.249 2.783 -1.816 523 HD13 LEU 67 HD13 LEU 67 5.797 3.364 -1.154 524 HD21 LEU 67 HD21 LEU 67 4.384 4.353 -3.614 525 HD22 LEU 67 HD22 LEU 67 5.720 4.367 -4.748 526 HD23 LEU 67 HD23 LEU 67 5.970 4.984 -3.100 527 H GLU 68 H GLU 68 10.085 4.161 -3.232 528 HA GLU 68 HA GLU 68 12.012 1.947 -3.685 529 HB2 GLU 68 HB1 GLU 68 12.434 3.472 -5.471 530 HB3 GLU 68 HB2 GLU 68 12.413 4.874 -4.390 531 HG2 GLU 68 HG1 GLU 68 14.506 4.342 -3.461 532 HG3 GLU 68 HG2 GLU 68 14.394 2.629 -3.953 533 H VAL 69 H VAL 69 13.630 1.732 -2.216 534 HA VAL 69 HA VAL 69 13.643 3.543 0.054 535 HB VAL 69 HB VAL 69 13.194 0.494 0.295 536 HG11 VAL 69 HG11 VAL 69 14.639 1.141 2.160 537 HG12 VAL 69 HG12 VAL 69 13.565 2.491 2.593 538 HG13 VAL 69 HG13 VAL 69 13.032 0.806 2.766 539 HG21 VAL 69 HG21 VAL 69 11.110 1.295 1.631 540 HG22 VAL 69 HG22 VAL 69 11.458 2.918 1.051 541 HG23 VAL 69 HG23 VAL 69 11.062 1.621 -0.107 542 HA PRO 70 HA PRO 70 18.018 2.780 -0.368 543 HB2 PRO 70 HB1 PRO 70 18.977 4.130 1.805 544 HB3 PRO 70 HB2 PRO 70 18.296 4.963 0.375 545 HG2 PRO 70 HG1 PRO 70 16.876 4.267 2.966 546 HG3 PRO 70 HG2 PRO 70 16.929 5.860 2.131 547 HD2 PRO 70 HD1 PRO 70 14.843 4.148 1.794 548 HD3 PRO 70 HD2 PRO 70 15.475 5.104 0.421 549 HA PRO 71 HA PRO 71 19.021 -0.797 1.985 550 HB2 PRO 71 HB1 PRO 71 21.649 -0.352 2.809 551 HB3 PRO 71 HB2 PRO 71 21.063 -1.005 1.245 552 HG2 PRO 71 HG1 PRO 71 21.926 1.793 1.899 553 HG3 PRO 71 HG2 PRO 71 22.209 0.839 0.391 554 HD2 PRO 71 HD1 PRO 71 20.279 2.745 0.545 555 HD3 PRO 71 HD2 PRO 71 20.058 1.240 -0.392 556 H LYS 72 H LYS 72 18.833 -1.669 3.960 557 HA LYS 72 HA LYS 72 18.411 -1.900 6.147 558 HB2 LYS 72 HB1 LYS 72 20.344 0.408 6.497 559 HB3 LYS 72 HB2 LYS 72 19.881 -0.753 7.753 560 HG2 LYS 72 HG1 LYS 72 21.216 -1.566 5.145 561 HG3 LYS 72 HG2 LYS 72 22.096 -1.122 6.622 562 HD2 LYS 72 HD1 LYS 72 21.306 -3.026 7.793 563 HD3 LYS 72 HD2 LYS 72 19.979 -3.301 6.627 564 HE2 LYS 72 HE1 LYS 72 21.636 -5.002 6.339 565 HE3 LYS 72 HE2 LYS 72 21.571 -3.952 4.910 566 HZ1 LYS 72 HZ1 LYS 72 23.611 -2.932 5.606 567 HZ2 LYS 72 HZ2 LYS 72 23.818 -4.490 5.524 568 HZ3 LYS 72 HZ3 LYS 72 23.654 -3.800 7.024 569 H GLY 73 H GLY 73 17.169 0.570 4.606 570 HA2 GLY 73 HA3 GLY 73 15.896 2.024 6.828 571 HA3 GLY 73 HA2 GLY 73 15.657 2.316 5.090 572 H ARG 74 H ARG 74 13.581 2.335 7.054 573 HA ARG 74 HA ARG 74 11.788 0.541 5.607 574 HB2 ARG 74 HB1 ARG 74 10.589 -0.232 7.577 575 HB3 ARG 74 HB2 ARG 74 12.269 -0.825 7.525 576 HG2 ARG 74 HG1 ARG 74 11.664 -0.357 9.795 577 HG3 ARG 74 HG2 ARG 74 12.862 0.843 9.287 578 HD2 ARG 74 HD1 ARG 74 11.449 2.573 9.510 579 HD3 ARG 74 HD2 ARG 74 10.071 1.634 8.915 580 HE ARG 74 HE ARG 74 11.050 1.154 11.685 581 HH11 ARG 74 HH12 ARG 74 8.578 2.599 9.578 582 HH12 ARG 74 HH11 ARG 74 7.420 2.771 10.837 583 HH21 ARG 74 HH22 ARG 74 9.497 1.501 13.372 584 HH22 ARG 74 HH21 ARG 74 7.875 1.983 12.873 585 H VAL 75 H VAL 75 9.673 1.340 5.393 586 HA VAL 75 HA VAL 75 8.805 3.797 6.773 587 HB VAL 75 HB VAL 75 9.152 3.875 3.730 588 HG11 VAL 75 HG11 VAL 75 7.156 5.106 4.425 589 HG12 VAL 75 HG12 VAL 75 8.067 5.945 5.700 590 HG13 VAL 75 HG13 VAL 75 8.402 6.263 3.983 591 HG21 VAL 75 HG21 VAL 75 11.354 4.285 4.699 592 HG22 VAL 75 HG22 VAL 75 10.694 5.785 4.066 593 HG23 VAL 75 HG23 VAL 75 10.667 5.494 5.816 594 H GLU 76 H GLU 76 6.484 3.715 6.929 595 HA GLU 76 HA GLU 76 5.218 1.489 5.476 596 HB2 GLU 76 HB1 GLU 76 3.600 3.350 7.138 597 HB3 GLU 76 HB2 GLU 76 3.462 1.587 6.870 598 HG2 GLU 76 HG1 GLU 76 4.122 1.673 9.070 599 HG3 GLU 76 HG2 GLU 76 5.677 1.457 8.260 600 H LEU 77 H LEU 77 3.647 1.615 3.930 601 HA LEU 77 HA LEU 77 3.873 3.525 1.930 602 HB2 LEU 77 HB1 LEU 77 1.999 1.353 2.672 603 HB3 LEU 77 HB2 LEU 77 1.262 2.618 1.661 604 HG LEU 77 HG LEU 77 3.182 2.333 0.063 605 HD11 LEU 77 HD11 LEU 77 4.359 0.151 0.101 606 HD12 LEU 77 HD12 LEU 77 3.690 -0.156 1.709 607 HD13 LEU 77 HD13 LEU 77 4.810 1.198 1.463 608 HD21 LEU 77 HD21 LEU 77 1.321 -0.010 0.471 609 HD22 LEU 77 HD22 LEU 77 2.235 0.386 -1.017 610 HD23 LEU 77 HD23 LEU 77 0.996 1.481 -0.440 611 H LYS 78 H LYS 78 1.494 3.538 4.502 612 HA LYS 78 HA LYS 78 1.294 5.309 5.915 613 HB2 LYS 78 HB1 LYS 78 2.930 6.628 4.507 614 HB3 LYS 78 HB2 LYS 78 1.519 7.301 3.647 615 HG2 LYS 78 HG1 LYS 78 2.138 8.937 5.147 616 HG3 LYS 78 HG2 LYS 78 0.722 8.170 5.873 617 HD2 LYS 78 HD1 LYS 78 2.345 8.612 7.590 618 HD3 LYS 78 HD2 LYS 78 2.269 6.875 7.400 619 HE2 LYS 78 HE1 LYS 78 4.357 8.321 5.802 620 HE3 LYS 78 HE2 LYS 78 4.558 8.336 7.573 621 HZ1 LYS 78 HZ1 LYS 78 4.638 5.907 7.538 622 HZ2 LYS 78 HZ2 LYS 78 5.732 6.496 6.526 623 HZ3 LYS 78 HZ3 LYS 78 4.376 5.874 5.909 624 HA PRO 79 HA PRO 79 -3.171 5.778 5.015 625 HB2 PRO 79 HB1 PRO 79 -3.899 7.091 7.294 626 HB3 PRO 79 HB2 PRO 79 -3.635 5.321 7.236 627 HG2 PRO 79 HG1 PRO 79 -1.676 7.466 8.106 628 HG3 PRO 79 HG2 PRO 79 -2.095 5.950 8.969 629 HD2 PRO 79 HD1 PRO 79 0.120 6.128 7.405 630 HD3 PRO 79 HD2 PRO 79 -0.862 4.635 7.432 631 H GLY 80 H GLY 80 -3.516 7.278 3.495 632 HA2 GLY 80 HA3 GLY 80 -3.874 9.352 2.585 633 HA3 GLY 80 HA2 GLY 80 -3.325 10.092 4.107 634 H GLY 81 H GLY 81 -1.032 7.931 2.369 635 HA2 GLY 81 HA3 GLY 81 -0.156 10.255 0.771 636 HA3 GLY 81 HA2 GLY 81 1.046 9.575 1.890 637 H TYR 82 H TYR 82 0.817 6.884 1.459 638 HA TYR 82 HA TYR 82 0.393 6.384 -1.398 639 HB2 TYR 82 HB1 TYR 82 2.835 5.326 0.031 640 HB3 TYR 82 HB2 TYR 82 2.213 4.741 -1.528 641 HD1 TYR 82 HD2 TYR 82 3.797 7.612 0.207 642 HD2 TYR 82 HD1 TYR 82 2.520 5.958 -3.555 643 HE1 TYR 82 HE2 TYR 82 4.994 9.429 -0.997 644 HE2 TYR 82 HE1 TYR 82 3.744 7.713 -4.755 645 HH TYR 82 HH TYR 82 4.869 9.707 -4.574 646 H HIS 83 H HIS 83 -0.391 4.390 -1.925 647 HA HIS 83 HA HIS 83 -0.893 2.357 0.085 648 HB2 HIS 83 HB1 HIS 83 -3.321 2.515 0.131 649 HB3 HIS 83 HB2 HIS 83 -2.552 3.932 0.858 650 HD1 HIS 83 HD1 HIS 83 -2.633 6.234 -0.749 651 HD2 HIS 83 HD2 HIS 83 -4.878 2.878 -1.947 652 HE1 HIS 83 HE1 HIS 83 -4.082 6.999 -2.670 653 H PHE 84 H PHE 84 -1.791 0.434 -0.886 654 HA PHE 84 HA PHE 84 -1.766 0.391 -3.857 655 HB2 PHE 84 HB1 PHE 84 -2.418 -1.727 -1.775 656 HB3 PHE 84 HB2 PHE 84 -2.526 -1.972 -3.533 657 HD1 PHE 84 HD2 PHE 84 -0.489 -1.766 -4.967 658 HD2 PHE 84 HD1 PHE 84 -0.299 -1.716 -0.655 659 HE1 PHE 84 HE2 PHE 84 1.953 -2.214 -5.065 660 HE2 PHE 84 HE1 PHE 84 2.157 -2.065 -0.776 661 HZ PHE 84 HZ PHE 84 3.255 -2.374 -2.937 662 H MET 85 H MET 85 -3.711 0.055 -5.005 663 HA MET 85 HA MET 85 -6.366 0.258 -3.641 664 HB2 MET 85 HB1 MET 85 -5.530 1.681 -5.838 665 HB3 MET 85 HB2 MET 85 -6.359 0.290 -6.573 666 HG2 MET 85 HG1 MET 85 -7.996 1.998 -6.241 667 HG3 MET 85 HG2 MET 85 -8.313 0.724 -5.057 668 HE1 MET 85 HE1 MET 85 -9.479 3.391 -2.652 669 HE2 MET 85 HE2 MET 85 -9.939 3.209 -4.364 670 HE3 MET 85 HE3 MET 85 -9.666 1.773 -3.347 671 H LEU 86 H LEU 86 -7.474 -1.648 -3.601 672 HA LEU 86 HA LEU 86 -6.424 -4.011 -5.140 673 HB2 LEU 86 HB1 LEU 86 -7.750 -3.766 -2.419 674 HB3 LEU 86 HB2 LEU 86 -7.624 -5.302 -3.319 675 HG LEU 86 HG LEU 86 -5.191 -5.245 -3.126 676 HD11 LEU 86 HD11 LEU 86 -4.109 -3.667 -1.493 677 HD12 LEU 86 HD12 LEU 86 -5.596 -2.691 -1.498 678 HD13 LEU 86 HD13 LEU 86 -4.630 -2.884 -2.979 679 HD21 LEU 86 HD21 LEU 86 -5.116 -5.676 -0.684 680 HD22 LEU 86 HD22 LEU 86 -6.592 -6.343 -1.399 681 HD23 LEU 86 HD23 LEU 86 -6.662 -4.822 -0.484 682 H LEU 87 H LEU 87 -7.857 -5.077 -6.419 683 HA LEU 87 HA LEU 87 -10.732 -4.285 -6.396 684 HB2 LEU 87 HB1 LEU 87 -8.594 -3.807 -8.419 685 HB3 LEU 87 HB2 LEU 87 -10.110 -4.429 -9.092 686 HG LEU 87 HG LEU 87 -10.080 -2.048 -7.202 687 HD11 LEU 87 HD11 LEU 87 -8.547 -1.488 -9.027 688 HD12 LEU 87 HD12 LEU 87 -10.055 -0.580 -9.188 689 HD13 LEU 87 HD13 LEU 87 -9.756 -1.988 -10.232 690 HD21 LEU 87 HD21 LEU 87 -12.261 -3.152 -7.642 691 HD22 LEU 87 HD22 LEU 87 -11.993 -3.006 -9.389 692 HD23 LEU 87 HD23 LEU 87 -12.209 -1.547 -8.402 693 H GLY 88 H GLY 88 -12.193 -5.715 -7.152 694 HA2 GLY 88 HA3 GLY 88 -13.115 -7.676 -7.952 695 HA3 GLY 88 HA2 GLY 88 -11.512 -8.168 -8.547 696 H LEU 89 H LEU 89 -11.905 -7.312 -5.188 697 HA LEU 89 HA LEU 89 -10.803 -9.531 -4.139 698 HB2 LEU 89 HB1 LEU 89 -11.913 -8.932 -1.961 699 HB3 LEU 89 HB2 LEU 89 -10.869 -7.755 -2.767 700 HG LEU 89 HG LEU 89 -12.857 -6.454 -3.419 701 HD11 LEU 89 HD11 LEU 89 -14.606 -8.094 -3.682 702 HD12 LEU 89 HD12 LEU 89 -15.089 -7.052 -2.349 703 HD13 LEU 89 HD13 LEU 89 -14.422 -8.655 -1.999 704 HD21 LEU 89 HD21 LEU 89 -13.438 -5.671 -1.170 705 HD22 LEU 89 HD22 LEU 89 -11.717 -6.075 -1.240 706 HD23 LEU 89 HD23 LEU 89 -12.869 -7.200 -0.477 707 H LYS 90 H LYS 90 -11.142 -11.191 -3.127 708 HA LYS 90 HA LYS 90 -13.564 -12.749 -3.814 709 HB2 LYS 90 HB1 LYS 90 -10.665 -13.521 -3.450 710 HB3 LYS 90 HB2 LYS 90 -11.988 -14.545 -4.077 711 HG2 LYS 90 HG1 LYS 90 -12.448 -12.727 -5.810 712 HG3 LYS 90 HG2 LYS 90 -10.926 -11.931 -5.292 713 HD2 LYS 90 HD1 LYS 90 -9.658 -13.891 -5.825 714 HD3 LYS 90 HD2 LYS 90 -11.136 -14.695 -6.369 715 HE2 LYS 90 HE1 LYS 90 -9.664 -12.303 -7.565 716 HE3 LYS 90 HE2 LYS 90 -10.005 -13.852 -8.350 717 HZ1 LYS 90 HZ1 LYS 90 -12.387 -13.146 -8.357 718 HZ2 LYS 90 HZ2 LYS 90 -11.456 -12.113 -9.207 719 HZ3 LYS 90 HZ3 LYS 90 -11.944 -11.685 -7.723 720 H ARG 91 H ARG 91 -12.465 -11.396 -1.054 721 HA ARG 91 HA ARG 91 -14.309 -13.022 0.515 722 HB2 ARG 91 HB1 ARG 91 -11.559 -12.316 1.608 723 HB3 ARG 91 HB2 ARG 91 -12.860 -13.088 2.520 724 HG2 ARG 91 HG1 ARG 91 -11.407 -14.307 0.149 725 HG3 ARG 91 HG2 ARG 91 -11.000 -14.625 1.844 726 HD2 ARG 91 HD1 ARG 91 -13.786 -15.193 0.809 727 HD3 ARG 91 HD2 ARG 91 -12.431 -16.311 0.479 728 HE ARG 91 HE ARG 91 -12.649 -15.579 3.277 729 HH11 ARG 91 HH12 ARG 91 -13.847 -17.866 0.880 730 HH12 ARG 91 HH11 ARG 91 -14.111 -19.126 2.047 731 HH21 ARG 91 HH22 ARG 91 -12.979 -17.233 4.759 732 HH22 ARG 91 HH21 ARG 91 -13.645 -18.751 4.242 733 HA PRO 92 HA PRO 92 -14.999 -8.677 1.820 734 HB2 PRO 92 HB1 PRO 92 -16.813 -9.017 3.812 735 HB3 PRO 92 HB2 PRO 92 -17.239 -9.271 2.091 736 HG2 PRO 92 HG1 PRO 92 -16.459 -11.361 4.143 737 HG3 PRO 92 HG2 PRO 92 -17.858 -11.390 3.015 738 HD2 PRO 92 HD1 PRO 92 -15.484 -12.681 2.491 739 HD3 PRO 92 HD2 PRO 92 -16.480 -11.955 1.197 740 H LEU 93 H LEU 93 -14.554 -7.369 3.769 741 HA LEU 93 HA LEU 93 -12.276 -8.507 5.315 742 HB2 LEU 93 HB1 LEU 93 -13.035 -5.714 4.365 743 HB3 LEU 93 HB2 LEU 93 -11.673 -6.059 5.463 744 HG LEU 93 HG LEU 93 -10.779 -5.600 3.372 745 HD11 LEU 93 HD11 LEU 93 -10.708 -8.628 3.650 746 HD12 LEU 93 HD12 LEU 93 -9.730 -7.472 4.584 747 HD13 LEU 93 HD13 LEU 93 -9.516 -7.597 2.832 748 HD21 LEU 93 HD21 LEU 93 -12.446 -7.752 2.033 749 HD22 LEU 93 HD22 LEU 93 -11.285 -6.646 1.290 750 HD23 LEU 93 HD23 LEU 93 -12.793 -6.007 1.968 751 H LYS 94 H LYS 94 -13.212 -9.237 7.244 752 HA LYS 94 HA LYS 94 -15.083 -7.533 8.703 753 HB2 LYS 94 HB1 LYS 94 -13.942 -10.294 9.051 754 HB3 LYS 94 HB2 LYS 94 -14.614 -9.423 10.471 755 HG2 LYS 94 HG1 LYS 94 -16.323 -10.789 9.528 756 HG3 LYS 94 HG2 LYS 94 -16.672 -9.052 9.299 757 HD2 LYS 94 HD1 LYS 94 -17.416 -10.106 7.363 758 HD3 LYS 94 HD2 LYS 94 -15.936 -9.296 6.921 759 HE2 LYS 94 HE1 LYS 94 -15.983 -12.210 7.859 760 HE3 LYS 94 HE2 LYS 94 -16.420 -11.833 6.187 761 HZ1 LYS 94 HZ1 LYS 94 -14.178 -11.133 5.777 762 HZ2 LYS 94 HZ2 LYS 94 -13.948 -12.426 6.793 763 HZ3 LYS 94 HZ3 LYS 94 -13.815 -10.985 7.337 764 H ALA 95 H ALA 95 -14.716 -6.297 10.211 765 HA ALA 95 HA ALA 95 -12.206 -5.268 11.106 766 HB1 ALA 95 HB1 ALA 95 -14.349 -4.065 11.403 767 HB2 ALA 95 HB2 ALA 95 -14.898 -5.310 12.547 768 HB3 ALA 95 HB3 ALA 95 -13.517 -4.278 12.954 769 H GLY 96 H GLY 96 -10.698 -6.311 12.061 770 HA2 GLY 96 HA3 GLY 96 -9.757 -7.295 14.055 771 HA3 GLY 96 HA2 GLY 96 -11.251 -8.239 14.259 772 H GLU 97 H GLU 97 -10.631 -8.634 11.007 773 HA GLU 97 HA GLU 97 -9.091 -11.125 11.358 774 HB2 GLU 97 HB1 GLU 97 -10.068 -9.633 8.903 775 HB3 GLU 97 HB2 GLU 97 -9.182 -11.176 8.841 776 HG2 GLU 97 HG1 GLU 97 -10.923 -12.311 10.068 777 HG3 GLU 97 HG2 GLU 97 -11.847 -10.804 10.225 778 H GLU 98 H GLU 98 -7.399 -11.263 9.383 779 HA GLU 98 HA GLU 98 -5.489 -9.151 9.260 780 HB2 GLU 98 HB1 GLU 98 -3.614 -10.698 9.854 781 HB3 GLU 98 HB2 GLU 98 -4.624 -10.204 11.234 782 HG2 GLU 98 HG1 GLU 98 -5.786 -12.381 11.158 783 HG3 GLU 98 HG2 GLU 98 -4.802 -12.876 9.769 784 H VAL 99 H VAL 99 -4.561 -9.246 7.390 785 HA VAL 99 HA VAL 99 -5.141 -11.435 5.414 786 HB VAL 99 HB VAL 99 -5.587 -8.430 5.127 787 HG11 VAL 99 HG11 VAL 99 -6.256 -8.875 2.779 788 HG12 VAL 99 HG12 VAL 99 -4.545 -9.183 3.036 789 HG13 VAL 99 HG13 VAL 99 -5.676 -10.553 2.938 790 HG21 VAL 99 HG21 VAL 99 -7.483 -10.800 4.803 791 HG22 VAL 99 HG22 VAL 99 -7.487 -9.633 6.144 792 HG23 VAL 99 HG23 VAL 99 -7.892 -9.097 4.514 793 H GLU 100 H GLU 100 -3.360 -12.089 4.412 794 HA GLU 100 HA GLU 100 -0.878 -10.574 4.638 795 HB2 GLU 100 HB1 GLU 100 -1.579 -13.156 3.238 796 HB3 GLU 100 HB2 GLU 100 0.014 -12.347 3.079 797 HG2 GLU 100 HG1 GLU 100 0.047 -12.408 5.679 798 HG3 GLU 100 HG2 GLU 100 -1.209 -13.647 5.522 799 H LEU 101 H LEU 101 0.176 -9.455 3.209 800 HA LEU 101 HA LEU 101 -0.787 -9.244 0.392 801 HB2 LEU 101 HB1 LEU 101 0.231 -7.165 2.304 802 HB3 LEU 101 HB2 LEU 101 0.740 -7.027 0.615 803 HG LEU 101 HG LEU 101 -1.172 -5.615 1.377 804 HD11 LEU 101 HD11 LEU 101 -1.880 -7.287 -1.013 805 HD12 LEU 101 HD12 LEU 101 -0.651 -6.007 -1.003 806 HD13 LEU 101 HD13 LEU 101 -2.348 -5.624 -0.667 807 HD21 LEU 101 HD21 LEU 101 -3.416 -6.443 1.509 808 HD22 LEU 101 HD22 LEU 101 -2.429 -7.351 2.673 809 HD23 LEU 101 HD23 LEU 101 -2.894 -8.089 1.127 810 H ASP 102 H ASP 102 0.671 -9.394 -1.124 811 HA ASP 102 HA ASP 102 3.418 -10.417 -0.580 812 HB2 ASP 102 HB1 ASP 102 1.708 -10.403 -3.087 813 HB3 ASP 102 HB2 ASP 102 3.210 -11.262 -2.929 814 H LEU 103 H LEU 103 5.145 -9.153 -1.354 815 HA LEU 103 HA LEU 103 4.562 -6.560 -2.740 816 HB2 LEU 103 HB1 LEU 103 6.851 -7.540 -0.994 817 HB3 LEU 103 HB2 LEU 103 6.884 -6.021 -1.934 818 HG LEU 103 HG LEU 103 4.865 -5.289 -0.601 819 HD11 LEU 103 HD11 LEU 103 4.671 -6.305 1.685 820 HD12 LEU 103 HD12 LEU 103 5.608 -7.697 1.109 821 HD13 LEU 103 HD13 LEU 103 4.015 -7.312 0.407 822 HD21 LEU 103 HD21 LEU 103 7.143 -4.445 -0.144 823 HD22 LEU 103 HD22 LEU 103 7.459 -5.836 0.914 824 HD23 LEU 103 HD23 LEU 103 6.247 -4.622 1.362 825 H LEU 104 H LEU 104 5.488 -6.144 -4.741 826 HA LEU 104 HA LEU 104 7.286 -8.218 -5.929 827 HB2 LEU 104 HB1 LEU 104 5.376 -6.231 -7.206 828 HB3 LEU 104 HB2 LEU 104 6.366 -7.373 -8.091 829 HG LEU 104 HG LEU 104 4.026 -7.974 -6.237 830 HD11 LEU 104 HD11 LEU 104 4.387 -8.422 -9.227 831 HD12 LEU 104 HD12 LEU 104 3.403 -7.151 -8.468 832 HD13 LEU 104 HD13 LEU 104 2.953 -8.847 -8.264 833 HD21 LEU 104 HD21 LEU 104 5.834 -9.957 -7.699 834 HD22 LEU 104 HD22 LEU 104 4.289 -10.367 -6.918 835 HD23 LEU 104 HD23 LEU 104 5.639 -9.799 -5.938 836 H PHE 105 H PHE 105 9.328 -7.607 -5.815 837 HA PHE 105 HA PHE 105 10.116 -4.748 -6.198 838 HB2 PHE 105 HB1 PHE 105 11.496 -7.068 -4.845 839 HB3 PHE 105 HB2 PHE 105 12.225 -5.481 -5.088 840 HD1 PHE 105 HD2 PHE 105 11.423 -3.526 -3.800 841 HD2 PHE 105 HD1 PHE 105 9.922 -7.496 -3.056 842 HE1 PHE 105 HE2 PHE 105 10.625 -2.801 -1.590 843 HE2 PHE 105 HE1 PHE 105 9.193 -6.763 -0.810 844 HZ PHE 105 HZ PHE 105 9.550 -4.435 -0.060 845 H ALA 106 H ALA 106 11.808 -4.176 -7.433 846 HA ALA 106 HA ALA 106 11.858 -5.121 -10.001 847 HB1 ALA 106 HB1 ALA 106 14.053 -3.582 -8.556 848 HB2 ALA 106 HB2 ALA 106 13.829 -3.665 -10.320 849 HB3 ALA 106 HB3 ALA 106 12.592 -2.893 -9.307 850 H GLY 107 H GLY 107 12.398 -6.962 -10.850 851 HA2 GLY 107 HA3 GLY 107 13.810 -8.578 -11.728 852 HA3 GLY 107 HA2 GLY 107 15.111 -8.028 -10.649 853 H GLY 108 H GLY 108 11.926 -9.668 -10.499 854 HA2 GLY 108 HA3 GLY 108 11.341 -11.740 -9.792 855 HA3 GLY 108 HA2 GLY 108 13.076 -12.104 -9.657 856 H LYS 109 H LYS 109 12.158 -9.519 -7.579 857 HA LYS 109 HA LYS 109 12.629 -11.353 -5.285 858 HB2 LYS 109 HB1 LYS 109 12.886 -8.375 -5.756 859 HB3 LYS 109 HB2 LYS 109 13.013 -9.070 -4.130 860 HG2 LYS 109 HG1 LYS 109 15.011 -10.142 -4.591 861 HG3 LYS 109 HG2 LYS 109 14.629 -10.331 -6.319 862 HD2 LYS 109 HD1 LYS 109 14.799 -7.666 -6.283 863 HD3 LYS 109 HD2 LYS 109 15.812 -7.956 -4.866 864 HE2 LYS 109 HE1 LYS 109 17.467 -9.040 -6.145 865 HE3 LYS 109 HE2 LYS 109 16.275 -9.589 -7.364 866 HZ1 LYS 109 HZ1 LYS 109 17.262 -6.823 -7.057 867 HZ2 LYS 109 HZ2 LYS 109 16.100 -7.305 -8.108 868 HZ3 LYS 109 HZ3 LYS 109 17.638 -7.870 -8.280 869 H VAL 110 H VAL 110 11.109 -11.931 -3.962 870 HA VAL 110 HA VAL 110 8.670 -10.269 -3.685 871 HB VAL 110 HB VAL 110 8.738 -13.305 -3.850 872 HG11 VAL 110 HG11 VAL 110 6.342 -11.443 -3.484 873 HG12 VAL 110 HG12 VAL 110 6.246 -13.178 -3.832 874 HG13 VAL 110 HG13 VAL 110 6.944 -12.635 -2.310 875 HG21 VAL 110 HG21 VAL 110 8.995 -12.321 -6.076 876 HG22 VAL 110 HG22 VAL 110 7.365 -12.975 -5.922 877 HG23 VAL 110 HG23 VAL 110 7.630 -11.223 -5.787 878 H LEU 111 H LEU 111 7.737 -10.121 -1.727 879 HA LEU 111 HA LEU 111 8.814 -11.491 0.662 880 HB2 LEU 111 HB1 LEU 111 10.113 -9.384 0.360 881 HB3 LEU 111 HB2 LEU 111 8.578 -8.481 0.302 882 HG LEU 111 HG LEU 111 8.149 -9.019 2.659 883 HD11 LEU 111 HD11 LEU 111 9.969 -10.009 4.042 884 HD12 LEU 111 HD12 LEU 111 10.890 -10.369 2.567 885 HD13 LEU 111 HD13 LEU 111 9.334 -11.175 2.877 886 HD21 LEU 111 HD21 LEU 111 9.347 -6.961 2.006 887 HD22 LEU 111 HD22 LEU 111 10.898 -7.812 2.156 888 HD23 LEU 111 HD23 LEU 111 9.871 -7.560 3.585 889 H LYS 112 H LYS 112 7.230 -11.206 2.520 890 HA LYS 112 HA LYS 112 4.509 -10.373 1.665 891 HB2 LYS 112 HB1 LYS 112 5.235 -13.030 2.958 892 HB3 LYS 112 HB2 LYS 112 3.577 -12.408 2.741 893 HG2 LYS 112 HG1 LYS 112 3.901 -12.340 0.316 894 HG3 LYS 112 HG2 LYS 112 5.572 -12.920 0.483 895 HD2 LYS 112 HD1 LYS 112 4.199 -14.687 -0.303 896 HD3 LYS 112 HD2 LYS 112 4.773 -15.086 1.304 897 HE2 LYS 112 HE1 LYS 112 2.142 -13.654 1.124 898 HE3 LYS 112 HE2 LYS 112 2.184 -15.292 0.437 899 HZ1 LYS 112 HZ1 LYS 112 2.737 -14.482 3.248 900 HZ2 LYS 112 HZ2 LYS 112 3.067 -16.002 2.675 901 HZ3 LYS 112 HZ3 LYS 112 1.551 -15.379 2.768 902 H VAL 113 H VAL 113 3.168 -9.647 3.226 903 HA VAL 113 HA VAL 113 4.224 -9.024 5.957 904 HB VAL 113 HB VAL 113 3.493 -6.671 5.668 905 HG11 VAL 113 HG11 VAL 113 5.570 -7.488 3.607 906 HG12 VAL 113 HG12 VAL 113 5.357 -5.877 4.317 907 HG13 VAL 113 HG13 VAL 113 5.862 -7.234 5.338 908 HG21 VAL 113 HG21 VAL 113 1.808 -6.840 3.980 909 HG22 VAL 113 HG22 VAL 113 3.092 -5.782 3.391 910 HG23 VAL 113 HG23 VAL 113 2.966 -7.438 2.782 911 H VAL 114 H VAL 114 2.367 -7.937 7.370 912 HA VAL 114 HA VAL 114 -0.008 -9.738 6.862 913 HB VAL 114 HB VAL 114 1.512 -9.666 9.502 914 HG11 VAL 114 HG11 VAL 114 0.062 -11.624 10.025 915 HG12 VAL 114 HG12 VAL 114 -0.916 -10.194 9.701 916 HG13 VAL 114 HG13 VAL 114 -0.754 -11.450 8.457 917 HG21 VAL 114 HG21 VAL 114 1.573 -11.796 7.319 918 HG22 VAL 114 HG22 VAL 114 2.938 -10.807 7.883 919 HG23 VAL 114 HG23 VAL 114 2.206 -11.991 8.964 920 H LEU 115 H LEU 115 -1.481 -8.160 6.560 921 HA LEU 115 HA LEU 115 -1.456 -5.785 8.317 922 HB2 LEU 115 HB1 LEU 115 -3.171 -6.329 5.895 923 HB3 LEU 115 HB2 LEU 115 -2.790 -4.765 6.615 924 HG LEU 115 HG LEU 115 -0.987 -6.594 4.983 925 HD11 LEU 115 HD11 LEU 115 -2.655 -5.192 3.785 926 HD12 LEU 115 HD12 LEU 115 -0.995 -4.733 3.412 927 HD13 LEU 115 HD13 LEU 115 -1.957 -3.738 4.527 928 HD21 LEU 115 HD21 LEU 115 0.329 -5.479 6.862 929 HD22 LEU 115 HD22 LEU 115 -0.124 -3.921 6.141 930 HD23 LEU 115 HD23 LEU 115 0.847 -5.093 5.234 931 HA PRO 116 HA PRO 116 -5.235 -7.423 10.344 932 HB2 PRO 116 HB1 PRO 116 -5.714 -5.373 12.074 933 HB3 PRO 116 HB2 PRO 116 -4.493 -6.648 12.364 934 HG2 PRO 116 HG1 PRO 116 -4.056 -3.884 11.208 935 HG3 PRO 116 HG2 PRO 116 -3.117 -4.702 12.509 936 HD2 PRO 116 HD1 PRO 116 -2.270 -4.673 9.919 937 HD3 PRO 116 HD2 PRO 116 -2.024 -6.103 10.955 938 H VAL 117 H VAL 117 -7.450 -6.945 10.100 939 HA VAL 117 HA VAL 117 -8.141 -4.690 8.249 940 HB VAL 117 HB VAL 117 -9.819 -6.942 9.385 941 HG11 VAL 117 HG11 VAL 117 -11.514 -6.213 7.694 942 HG12 VAL 117 HG12 VAL 117 -11.236 -4.955 8.886 943 HG13 VAL 117 HG13 VAL 117 -10.492 -4.817 7.277 944 HG21 VAL 117 HG21 VAL 117 -8.667 -6.534 6.591 945 HG22 VAL 117 HG22 VAL 117 -8.182 -7.785 7.758 946 HG23 VAL 117 HG23 VAL 117 -9.804 -7.818 7.057 947 H GLU 118 H GLU 118 -8.691 -2.774 9.069 948 HA GLU 118 HA GLU 118 -10.313 -2.647 11.587 949 HB2 GLU 118 HB1 GLU 118 -8.464 -0.523 10.463 950 HB3 GLU 118 HB2 GLU 118 -9.587 -0.361 11.853 951 HG2 GLU 118 HG1 GLU 118 -8.250 -2.170 13.002 952 HG3 GLU 118 HG2 GLU 118 -7.031 -1.969 11.727 953 H ALA 119 H ALA 119 -12.304 -1.679 11.384 954 HA ALA 119 HA ALA 119 -13.152 -0.776 8.710 955 HB1 ALA 119 HB1 ALA 119 -14.530 -2.432 9.826 956 HB2 ALA 119 HB2 ALA 119 -14.741 -1.340 11.231 957 HB3 ALA 119 HB3 ALA 119 -15.421 -0.914 9.649 958 H ARG 120 H ARG 120 -11.463 1.019 9.238 959 HA ARG 120 HA ARG 120 -12.869 3.528 9.754 960 HB2 ARG 120 HB1 ARG 120 -11.470 4.164 11.695 961 HB3 ARG 120 HB2 ARG 120 -12.630 2.853 12.027 962 HG2 ARG 120 HG1 ARG 120 -11.001 1.524 12.760 963 HG3 ARG 120 HG2 ARG 120 -10.084 1.711 11.244 964 HD2 ARG 120 HD1 ARG 120 -9.949 3.617 13.605 965 HD3 ARG 120 HD2 ARG 120 -8.752 2.380 13.215 966 HE ARG 120 HE ARG 120 -9.562 4.431 11.206 967 HH11 ARG 120 HH12 ARG 120 -6.863 2.546 12.400 968 HH12 ARG 120 HH11 ARG 120 -5.759 3.413 11.429 969 HH21 ARG 120 HH22 ARG 120 -8.352 5.065 9.846 970 HH22 ARG 120 HH21 ARG 120 -6.587 4.930 9.956 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 5.124 2.892 18.893 2 H2 GLY 1 2H GLY 1 3.807 2.952 19.856 3 H3 GLY 1 3H GLY 1 5.310 3.154 20.518 4 HA2 GLY 1 HA3 GLY 1 4.153 5.286 20.318 5 HA3 GLY 1 HA2 GLY 1 5.604 5.223 19.291 6 H SER 2 H SER 2 5.270 5.761 17.138 7 HA SER 2 HA SER 2 3.035 4.593 15.639 8 HB2 SER 2 HB1 SER 2 4.832 4.640 13.843 9 HB3 SER 2 HB2 SER 2 4.385 6.237 14.497 10 HG SER 2 HG SER 2 6.739 5.610 14.290 11 H PHE 3 H PHE 3 3.677 2.575 14.279 12 HA PHE 3 HA PHE 3 5.614 0.764 15.567 13 HB2 PHE 3 HB1 PHE 3 2.667 0.127 15.175 14 HB3 PHE 3 HB2 PHE 3 3.916 -1.072 15.551 15 HD1 PHE 3 HD1 PHE 3 5.025 -1.077 17.778 16 HD2 PHE 3 HD2 PHE 3 1.725 1.542 16.896 17 HE1 PHE 3 HE1 PHE 3 4.652 -0.730 20.208 18 HE2 PHE 3 HE2 PHE 3 1.352 1.904 19.322 19 HZ PHE 3 HZ PHE 3 2.801 0.744 20.991 20 H THR 4 H THR 4 6.861 0.083 13.918 21 HA THR 4 HA THR 4 6.083 0.594 11.162 22 HB THR 4 HB THR 4 8.355 -0.145 10.621 23 HG1 THR 4 HG1 THR 4 8.205 -1.654 12.345 24 HG21 THR 4 HG21 THR 4 8.386 1.715 13.049 25 HG22 THR 4 HG22 THR 4 8.056 2.216 11.377 26 HG23 THR 4 HG23 THR 4 9.639 1.556 11.795 27 H GLU 5 H GLU 5 4.372 -0.720 10.840 28 HA GLU 5 HA GLU 5 4.983 -3.411 9.890 29 HB2 GLU 5 HB1 GLU 5 3.976 -3.412 12.361 30 HB3 GLU 5 HB2 GLU 5 2.452 -3.145 11.498 31 HG2 GLU 5 HG1 GLU 5 3.259 -5.167 10.009 32 HG3 GLU 5 HG2 GLU 5 4.371 -5.502 11.350 33 H GLY 6 H GLY 6 2.409 -4.084 9.025 34 HA2 GLY 6 HA3 GLY 6 1.645 -1.765 7.311 35 HA3 GLY 6 HA2 GLY 6 1.364 -3.467 6.878 36 H TRP 7 H TRP 7 -0.741 -1.776 6.787 37 HA TRP 7 HA TRP 7 -2.414 -3.673 8.098 38 HB2 TRP 7 HB1 TRP 7 -3.895 -2.402 9.340 39 HB3 TRP 7 HB2 TRP 7 -2.281 -2.076 9.953 40 HD1 TRP 7 HD TRP 7 -5.384 -0.469 8.965 41 HE1 TRP 7 HE1 TRP 7 -5.203 2.037 9.125 42 HE3 TRP 7 3HE TRP 7 -0.261 -0.063 9.145 43 HZ2 TRP 7 HZ2 TRP 7 -3.099 4.007 9.510 44 HZ3 TRP 7 HZ3 TRP 7 0.794 2.143 9.419 45 HH2 TRP 7 HH TRP 7 -0.596 4.185 9.651 46 H VAL 8 H VAL 8 -4.802 -3.338 7.458 47 HA VAL 8 HA VAL 8 -4.963 -2.261 4.639 48 HB VAL 8 HB VAL 8 -7.012 -4.109 5.912 49 HG11 VAL 8 HG11 VAL 8 -7.621 -4.559 3.545 50 HG12 VAL 8 HG12 VAL 8 -7.776 -2.848 3.916 51 HG13 VAL 8 HG13 VAL 8 -6.367 -3.423 3.003 52 HG21 VAL 8 HG21 VAL 8 -5.004 -5.441 5.891 53 HG22 VAL 8 HG22 VAL 8 -6.016 -5.958 4.550 54 HG23 VAL 8 HG23 VAL 8 -4.613 -4.919 4.224 55 H ARG 9 H ARG 9 -6.449 -0.639 4.169 56 HA ARG 9 HA ARG 9 -7.486 1.025 6.212 57 HB2 ARG 9 HB1 ARG 9 -7.013 1.580 3.756 58 HB3 ARG 9 HB2 ARG 9 -8.571 0.824 3.372 59 HG2 ARG 9 HG1 ARG 9 -9.637 2.453 5.014 60 HG3 ARG 9 HG2 ARG 9 -8.065 3.274 5.114 61 HD2 ARG 9 HD1 ARG 9 -8.772 4.544 3.399 62 HD3 ARG 9 HD2 ARG 9 -8.545 3.131 2.364 63 HE ARG 9 HE ARG 9 -10.878 2.861 2.253 64 HH11 ARG 9 HH12 ARG 9 -10.225 4.968 4.995 65 HH12 ARG 9 HH11 ARG 9 -11.948 5.121 5.313 66 HH21 ARG 9 HH22 ARG 9 -13.046 3.170 2.835 67 HH22 ARG 9 HH21 ARG 9 -13.346 4.045 4.316 68 H PHE 10 H PHE 10 -8.929 -1.687 4.598 69 HA PHE 10 HA PHE 10 -10.974 -2.621 4.396 70 HB2 PHE 10 HB1 PHE 10 -11.201 -2.860 6.698 71 HB3 PHE 10 HB2 PHE 10 -11.483 -1.148 6.982 72 HD1 PHE 10 HD1 PHE 10 -13.632 -0.073 6.176 73 HD2 PHE 10 HD2 PHE 10 -13.028 -4.313 6.627 74 HE1 PHE 10 HE1 PHE 10 -16.081 -0.415 6.112 75 HE2 PHE 10 HE2 PHE 10 -15.492 -4.661 6.559 76 HZ PHE 10 HZ PHE 10 -17.015 -2.715 6.240 77 H SER 11 H SER 11 -13.101 -2.125 3.406 78 HA SER 11 HA SER 11 -14.212 0.432 3.528 79 HB2 SER 11 HB1 SER 11 -12.807 -0.419 0.966 80 HB3 SER 11 HB2 SER 11 -14.282 0.560 0.928 81 HG SER 11 HG SER 11 -12.092 1.176 2.575 82 HA PRO 12 HA PRO 12 -17.499 -2.497 2.766 83 HB2 PRO 12 HB1 PRO 12 -19.674 -0.928 2.840 84 HB3 PRO 12 HB2 PRO 12 -18.546 -0.974 4.232 85 HG2 PRO 12 HG1 PRO 12 -18.523 1.019 1.922 86 HG3 PRO 12 HG2 PRO 12 -18.645 1.402 3.674 87 HD2 PRO 12 HD1 PRO 12 -16.245 1.375 2.369 88 HD3 PRO 12 HD2 PRO 12 -16.398 0.781 4.049 89 H GLY 13 H GLY 13 -16.112 -2.265 0.516 90 HA2 GLY 13 HA3 GLY 13 -18.080 -2.045 -1.690 91 HA3 GLY 13 HA2 GLY 13 -16.654 -0.983 -1.737 92 HA PRO 14 HA PRO 14 -15.673 -5.022 -3.945 93 HB2 PRO 14 HB1 PRO 14 -15.483 -4.093 -6.499 94 HB3 PRO 14 HB2 PRO 14 -17.049 -4.546 -5.768 95 HG2 PRO 14 HG1 PRO 14 -15.837 -1.777 -6.004 96 HG3 PRO 14 HG2 PRO 14 -17.506 -2.295 -6.435 97 HD2 PRO 14 HD1 PRO 14 -16.903 -1.119 -4.034 98 HD3 PRO 14 HD2 PRO 14 -18.150 -2.392 -4.173 99 H ASN 15 H ASN 15 -14.378 -1.722 -3.903 100 HA ASN 15 HA ASN 15 -11.669 -2.739 -4.280 101 HB2 ASN 15 HB1 ASN 15 -11.111 -0.449 -4.832 102 HB3 ASN 15 HB2 ASN 15 -12.371 -1.046 -5.894 103 HD21 ASN 15 HD21 ASN 15 -11.553 1.749 -5.167 104 HD22 ASN 15 HD22 ASN 15 -13.013 2.484 -4.494 105 H ALA 16 H ALA 16 -10.106 -2.184 -2.964 106 HA ALA 16 HA ALA 16 -10.623 -0.857 -0.344 107 HB1 ALA 16 HB1 ALA 16 -9.393 -2.672 0.814 108 HB2 ALA 16 HB2 ALA 16 -10.820 -3.307 -0.019 109 HB3 ALA 16 HB3 ALA 16 -9.215 -3.545 -0.726 110 H ALA 17 H ALA 17 -8.250 -0.831 0.788 111 HA ALA 17 HA ALA 17 -6.141 -0.146 -1.097 112 HB1 ALA 17 HB1 ALA 17 -7.368 1.979 -0.946 113 HB2 ALA 17 HB2 ALA 17 -7.328 1.906 0.836 114 HB3 ALA 17 HB3 ALA 17 -5.827 2.120 -0.075 115 H ALA 18 H ALA 18 -4.030 -0.170 -0.049 116 HA ALA 18 HA ALA 18 -4.013 -1.143 2.789 117 HB1 ALA 18 HB1 ALA 18 -4.125 -3.082 1.253 118 HB2 ALA 18 HB2 ALA 18 -2.628 -2.526 0.458 119 HB3 ALA 18 HB3 ALA 18 -2.606 -3.025 2.160 120 H TYR 19 H TYR 19 -2.178 -1.024 3.944 121 HA TYR 19 HA TYR 19 -0.290 1.151 3.181 122 HB2 TYR 19 HB1 TYR 19 -1.614 0.494 5.831 123 HB3 TYR 19 HB2 TYR 19 -0.612 1.908 5.483 124 HD1 TYR 19 HD1 TYR 19 -1.592 3.312 3.325 125 HD2 TYR 19 HD2 TYR 19 -3.858 0.931 6.107 126 HE1 TYR 19 HE1 TYR 19 -3.552 4.813 3.014 127 HE2 TYR 19 HE2 TYR 19 -5.818 2.389 5.774 128 HH TYR 19 HH TYR 19 -5.624 5.317 3.671 129 H LEU 20 H LEU 20 0.826 -1.291 2.656 130 HA LEU 20 HA LEU 20 1.794 -2.704 4.950 131 HB2 LEU 20 HB1 LEU 20 2.996 -4.075 3.365 132 HB3 LEU 20 HB2 LEU 20 1.334 -3.747 2.815 133 HG LEU 20 HG LEU 20 2.510 -1.843 1.394 134 HD11 LEU 20 HD11 LEU 20 4.815 -2.070 2.234 135 HD12 LEU 20 HD12 LEU 20 4.767 -2.605 0.563 136 HD13 LEU 20 HD13 LEU 20 4.797 -3.805 1.873 137 HD21 LEU 20 HD21 LEU 20 2.601 -4.782 0.699 138 HD22 LEU 20 HD22 LEU 20 2.864 -3.455 -0.449 139 HD23 LEU 20 HD23 LEU 20 1.304 -3.595 0.367 140 H THR 21 H THR 21 4.073 -3.192 5.524 141 HA THR 21 HA THR 21 5.841 -0.828 5.529 142 HB THR 21 HB THR 21 5.921 -1.780 7.604 143 HG1 THR 21 HG1 THR 21 8.085 -3.208 7.162 144 HG21 THR 21 HG21 THR 21 6.176 -4.518 6.336 145 HG22 THR 21 HG22 THR 21 4.806 -3.852 7.270 146 HG23 THR 21 HG23 THR 21 6.356 -4.153 8.070 147 H LEU 22 H LEU 22 7.329 -0.436 4.075 148 HA LEU 22 HA LEU 22 8.375 -2.595 2.308 149 HB2 LEU 22 HB1 LEU 22 7.736 -0.276 1.409 150 HB3 LEU 22 HB2 LEU 22 9.115 0.354 2.335 151 HG LEU 22 HG LEU 22 9.873 0.213 0.187 152 HD11 LEU 22 HD11 LEU 22 11.512 -0.969 1.741 153 HD12 LEU 22 HD12 LEU 22 11.644 -1.388 0.026 154 HD13 LEU 22 HD13 LEU 22 10.850 -2.506 1.133 155 HD21 LEU 22 HD21 LEU 22 8.084 -0.966 -0.785 156 HD22 LEU 22 HD22 LEU 22 8.663 -2.524 -0.114 157 HD23 LEU 22 HD23 LEU 22 9.643 -1.621 -1.304 158 H GLU 23 H GLU 23 10.041 -3.653 3.166 159 HA GLU 23 HA GLU 23 12.083 -2.161 4.686 160 HB2 GLU 23 HB1 GLU 23 12.307 -3.969 6.298 161 HB3 GLU 23 HB2 GLU 23 10.741 -3.101 6.342 162 HG2 GLU 23 HG1 GLU 23 9.754 -5.096 5.117 163 HG3 GLU 23 HG2 GLU 23 11.255 -5.951 5.525 164 H ASN 24 H ASN 24 14.104 -2.742 4.544 165 HA ASN 24 HA ASN 24 14.751 -4.633 2.338 166 HB2 ASN 24 HB1 ASN 24 14.865 -2.132 1.946 167 HB3 ASN 24 HB2 ASN 24 16.221 -2.080 3.074 168 HD21 ASN 24 HD21 ASN 24 16.632 -1.297 0.439 169 HD22 ASN 24 HD22 ASN 24 17.636 -2.534 -0.339 170 HA PRO 25 HA PRO 25 17.292 -6.231 5.817 171 HB2 PRO 25 HB1 PRO 25 17.068 -8.899 5.260 172 HB3 PRO 25 HB2 PRO 25 15.800 -7.993 6.142 173 HG2 PRO 25 HG1 PRO 25 15.894 -8.637 3.180 174 HG3 PRO 25 HG2 PRO 25 14.529 -8.902 4.321 175 HD2 PRO 25 HD1 PRO 25 14.668 -6.695 2.716 176 HD3 PRO 25 HD2 PRO 25 14.027 -6.596 4.381 177 H GLY 26 H GLY 26 17.562 -6.018 2.412 178 HA2 GLY 26 HA3 GLY 26 20.050 -7.547 2.169 179 HA3 GLY 26 HA2 GLY 26 19.175 -6.673 0.889 180 H ASP 27 H ASP 27 21.640 -6.319 0.714 181 HA ASP 27 HA ASP 27 22.749 -4.099 2.272 182 HB2 ASP 27 HB1 ASP 27 23.774 -6.352 0.492 183 HB3 ASP 27 HB2 ASP 27 24.801 -5.140 1.265 184 H LEU 28 H LEU 28 21.115 -4.448 -0.501 185 HA LEU 28 HA LEU 28 22.202 -2.055 -1.795 186 HB2 LEU 28 HB1 LEU 28 22.061 -3.082 -3.978 187 HB3 LEU 28 HB2 LEU 28 23.151 -3.974 -2.864 188 HG LEU 28 HG LEU 28 21.230 -5.620 -2.554 189 HD11 LEU 28 HD11 LEU 28 19.312 -4.515 -3.508 190 HD12 LEU 28 HD12 LEU 28 19.742 -5.804 -4.631 191 HD13 LEU 28 HD13 LEU 28 20.190 -4.131 -5.007 192 HD21 LEU 28 HD21 LEU 28 22.540 -5.357 -5.296 193 HD22 LEU 28 HD22 LEU 28 21.865 -6.850 -4.604 194 HD23 LEU 28 HD23 LEU 28 23.275 -6.091 -3.855 195 HA PRO 29 HA PRO 29 18.208 -0.687 -1.445 196 HB2 PRO 29 HB1 PRO 29 17.562 0.829 -3.624 197 HB3 PRO 29 HB2 PRO 29 18.845 1.265 -2.454 198 HG2 PRO 29 HG1 PRO 29 19.151 -0.099 -5.130 199 HG3 PRO 29 HG2 PRO 29 20.123 1.253 -4.454 200 HD2 PRO 29 HD1 PRO 29 20.917 -1.387 -4.373 201 HD3 PRO 29 HD2 PRO 29 21.374 -0.240 -3.100 202 H LEU 30 H LEU 30 15.963 -0.761 -1.959 203 HA LEU 30 HA LEU 30 15.113 -2.889 -3.873 204 HB2 LEU 30 HB1 LEU 30 14.489 -2.445 -1.013 205 HB3 LEU 30 HB2 LEU 30 13.046 -2.655 -2.012 206 HG LEU 30 HG LEU 30 13.682 -4.859 -2.633 207 HD11 LEU 30 HD11 LEU 30 16.397 -4.331 -1.382 208 HD12 LEU 30 HD12 LEU 30 16.038 -4.757 -3.061 209 HD13 LEU 30 HD13 LEU 30 15.785 -5.949 -1.772 210 HD21 LEU 30 HD21 LEU 30 13.742 -5.986 -0.474 211 HD22 LEU 30 HD22 LEU 30 12.709 -4.549 -0.366 212 HD23 LEU 30 HD23 LEU 30 14.343 -4.504 0.294 213 H ARG 31 H ARG 31 13.195 -2.673 -4.727 214 HA ARG 31 HA ARG 31 12.008 0.011 -5.046 215 HB2 ARG 31 HB1 ARG 31 13.893 -0.320 -6.707 216 HB3 ARG 31 HB2 ARG 31 12.915 -1.598 -7.454 217 HG2 ARG 31 HG1 ARG 31 11.171 -0.040 -8.026 218 HG3 ARG 31 HG2 ARG 31 11.874 1.230 -6.996 219 HD2 ARG 31 HD1 ARG 31 13.131 0.140 -9.543 220 HD3 ARG 31 HD2 ARG 31 12.253 1.685 -9.374 221 HE ARG 31 HE ARG 31 14.170 1.760 -7.391 222 HH11 ARG 31 HH12 ARG 31 14.508 1.460 -10.898 223 HH12 ARG 31 HH11 ARG 31 16.164 2.023 -10.848 224 HH21 ARG 31 HH22 ARG 31 16.174 2.501 -7.382 225 HH22 ARG 31 HH21 ARG 31 17.115 2.608 -8.842 226 H LEU 32 H LEU 32 9.880 -0.382 -4.653 227 HA LEU 32 HA LEU 32 8.682 -3.047 -5.219 228 HB2 LEU 32 HB1 LEU 32 8.525 -2.084 -2.969 229 HB3 LEU 32 HB2 LEU 32 7.738 -0.635 -3.589 230 HG LEU 32 HG LEU 32 5.783 -2.089 -4.288 231 HD11 LEU 32 HD11 LEU 32 7.489 -4.230 -2.949 232 HD12 LEU 32 HD12 LEU 32 6.883 -4.231 -4.611 233 HD13 LEU 32 HD13 LEU 32 5.748 -4.426 -3.277 234 HD21 LEU 32 HD21 LEU 32 6.579 -2.479 -1.361 235 HD22 LEU 32 HD22 LEU 32 4.958 -2.560 -1.999 236 HD23 LEU 32 HD23 LEU 32 5.817 -1.003 -2.018 237 H VAL 33 H VAL 33 7.776 -3.267 -7.183 238 HA VAL 33 HA VAL 33 6.806 -0.810 -8.595 239 HB VAL 33 HB VAL 33 7.191 -2.008 -10.685 240 HG11 VAL 33 HG11 VAL 33 9.660 -2.231 -8.901 241 HG12 VAL 33 HG12 VAL 33 9.640 -2.181 -10.672 242 HG13 VAL 33 HG13 VAL 33 9.123 -0.774 -9.751 243 HG21 VAL 33 HG21 VAL 33 8.266 -4.185 -10.843 244 HG22 VAL 33 HG22 VAL 33 8.311 -4.345 -9.085 245 HG23 VAL 33 HG23 VAL 33 6.757 -4.361 -9.947 246 H GLY 34 H GLY 34 5.760 -3.825 -7.200 247 HA2 GLY 34 HA3 GLY 34 2.972 -3.287 -7.891 248 HA3 GLY 34 HA2 GLY 34 3.639 -4.817 -8.505 249 H ALA 35 H ALA 35 1.675 -5.348 -7.050 250 HA ALA 35 HA ALA 35 2.769 -6.586 -4.640 251 HB1 ALA 35 HB1 ALA 35 1.830 -4.511 -3.736 252 HB2 ALA 35 HB2 ALA 35 0.274 -4.832 -4.534 253 HB3 ALA 35 HB3 ALA 35 0.859 -5.890 -3.226 254 H ARG 36 H ARG 36 0.979 -8.066 -3.721 255 HA ARG 36 HA ARG 36 -0.964 -9.216 -5.595 256 HB2 ARG 36 HB1 ARG 36 0.968 -10.221 -6.485 257 HB3 ARG 36 HB2 ARG 36 1.695 -10.480 -4.901 258 HG2 ARG 36 HG1 ARG 36 -0.081 -12.227 -4.466 259 HG3 ARG 36 HG2 ARG 36 -0.634 -11.994 -6.141 260 HD2 ARG 36 HD1 ARG 36 1.748 -12.493 -6.885 261 HD3 ARG 36 HD2 ARG 36 2.126 -12.912 -5.213 262 HE ARG 36 HE ARG 36 -0.013 -14.277 -6.807 263 HH11 ARG 36 HH12 ARG 36 2.676 -14.676 -4.458 264 HH12 ARG 36 HH11 ARG 36 2.725 -16.376 -4.720 265 HH21 ARG 36 HH22 ARG 36 0.067 -16.505 -6.948 266 HH22 ARG 36 HH21 ARG 36 1.219 -17.393 -5.994 267 H THR 37 H THR 37 -2.432 -10.665 -4.440 268 HA THR 37 HA THR 37 -2.191 -10.971 -1.526 269 HB THR 37 HB THR 37 -2.802 -8.763 -1.368 270 HG1 THR 37 HG1 THR 37 -4.199 -9.656 -0.085 271 HG21 THR 37 HG21 THR 37 -3.427 -8.148 -3.653 272 HG22 THR 37 HG22 THR 37 -4.753 -7.741 -2.559 273 HG23 THR 37 HG23 THR 37 -4.861 -9.201 -3.561 274 HA PRO 38 HA PRO 38 -5.136 -14.187 -2.746 275 HB2 PRO 38 HB1 PRO 38 -6.088 -15.008 -0.342 276 HB3 PRO 38 HB2 PRO 38 -4.382 -15.226 -0.856 277 HG2 PRO 38 HG1 PRO 38 -5.490 -13.036 0.905 278 HG3 PRO 38 HG2 PRO 38 -4.097 -14.129 1.242 279 HD2 PRO 38 HD1 PRO 38 -3.788 -11.637 0.144 280 HD3 PRO 38 HD2 PRO 38 -2.727 -12.985 -0.323 281 H VAL 39 H VAL 39 -6.064 -11.216 -1.590 282 HA VAL 39 HA VAL 39 -8.954 -11.701 -2.238 283 HB VAL 39 HB VAL 39 -9.643 -10.183 -0.400 284 HG11 VAL 39 HG11 VAL 39 -8.175 -12.659 0.565 285 HG12 VAL 39 HG12 VAL 39 -9.514 -11.826 1.366 286 HG13 VAL 39 HG13 VAL 39 -9.782 -12.628 -0.193 287 HG21 VAL 39 HG21 VAL 39 -6.798 -10.535 0.679 288 HG22 VAL 39 HG22 VAL 39 -7.438 -9.019 0.012 289 HG23 VAL 39 HG23 VAL 39 -8.144 -9.708 1.482 290 H ALA 40 H ALA 40 -7.322 -10.850 -4.132 291 HA ALA 40 HA ALA 40 -8.983 -8.648 -4.980 292 HB1 ALA 40 HB1 ALA 40 -7.303 -7.082 -5.644 293 HB2 ALA 40 HB2 ALA 40 -6.986 -7.442 -3.944 294 HB3 ALA 40 HB3 ALA 40 -5.988 -8.182 -5.220 295 H GLU 41 H GLU 41 -8.413 -8.171 -7.323 296 HA GLU 41 HA GLU 41 -7.256 -10.505 -8.816 297 HB2 GLU 41 HB1 GLU 41 -9.809 -10.167 -8.902 298 HB3 GLU 41 HB2 GLU 41 -9.481 -8.681 -9.809 299 HG2 GLU 41 HG1 GLU 41 -8.212 -10.066 -11.493 300 HG3 GLU 41 HG2 GLU 41 -8.672 -11.524 -10.584 301 H ARG 42 H ARG 42 -7.746 -6.987 -8.577 302 HA ARG 42 HA ARG 42 -5.445 -6.529 -10.376 303 HB2 ARG 42 HB1 ARG 42 -7.529 -4.415 -9.998 304 HB3 ARG 42 HB2 ARG 42 -6.390 -4.629 -11.331 305 HG2 ARG 42 HG1 ARG 42 -8.922 -6.251 -10.838 306 HG3 ARG 42 HG2 ARG 42 -8.742 -4.923 -12.010 307 HD2 ARG 42 HD1 ARG 42 -7.249 -6.216 -13.368 308 HD3 ARG 42 HD2 ARG 42 -7.103 -7.480 -12.129 309 HE ARG 42 HE ARG 42 -9.210 -8.341 -12.706 310 HH11 ARG 42 HH12 ARG 42 -8.712 -5.432 -14.666 311 HH12 ARG 42 HH11 ARG 42 -10.016 -5.883 -15.733 312 HH21 ARG 42 HH22 ARG 42 -10.750 -8.813 -13.978 313 HH22 ARG 42 HH21 ARG 42 -11.191 -7.837 -15.376 314 H VAL 43 H VAL 43 -4.114 -4.913 -9.600 315 HA VAL 43 HA VAL 43 -4.649 -3.573 -7.081 316 HB VAL 43 HB VAL 43 -3.690 -5.760 -6.398 317 HG11 VAL 43 HG11 VAL 43 -1.414 -6.325 -6.690 318 HG12 VAL 43 HG12 VAL 43 -2.081 -6.064 -8.305 319 HG13 VAL 43 HG13 VAL 43 -1.028 -4.831 -7.563 320 HG21 VAL 43 HG21 VAL 43 -1.906 -3.405 -5.670 321 HG22 VAL 43 HG22 VAL 43 -3.482 -3.782 -4.936 322 HG23 VAL 43 HG23 VAL 43 -2.131 -4.904 -4.748 323 H GLU 44 H GLU 44 -3.529 -1.711 -6.826 324 HA GLU 44 HA GLU 44 -1.744 -0.734 -9.032 325 HB2 GLU 44 HB1 GLU 44 -4.192 0.557 -7.761 326 HB3 GLU 44 HB2 GLU 44 -3.050 1.417 -8.815 327 HG2 GLU 44 HG1 GLU 44 -3.728 0.225 -10.725 328 HG3 GLU 44 HG2 GLU 44 -4.509 -1.051 -9.770 329 H LEU 45 H LEU 45 -0.249 0.859 -8.338 330 HA LEU 45 HA LEU 45 0.025 1.215 -5.374 331 HB2 LEU 45 HB1 LEU 45 1.937 0.191 -6.483 332 HB3 LEU 45 HB2 LEU 45 1.987 1.520 -7.671 333 HG LEU 45 HG LEU 45 2.440 3.094 -5.729 334 HD11 LEU 45 HD11 LEU 45 3.210 0.616 -4.191 335 HD12 LEU 45 HD12 LEU 45 1.688 1.493 -3.872 336 HD13 LEU 45 HD13 LEU 45 3.255 2.292 -3.643 337 HD21 LEU 45 HD21 LEU 45 4.162 2.238 -7.276 338 HD22 LEU 45 HD22 LEU 45 4.415 0.840 -6.205 339 HD23 LEU 45 HD23 LEU 45 4.800 2.489 -5.639 340 H HIS 46 H HIS 46 -0.672 3.113 -4.551 341 HA HIS 46 HA HIS 46 -0.755 5.524 -6.308 342 HB2 HIS 46 HB1 HIS 46 -2.643 4.586 -4.128 343 HB3 HIS 46 HB2 HIS 46 -2.704 6.200 -4.864 344 HD2 HIS 46 HD2 HIS 46 -2.256 3.894 -7.715 345 HE1 HIS 46 HE1 HIS 46 -6.437 3.840 -7.007 346 HE2 HIS 46 HE2 HIS 46 -4.639 3.179 -8.657 347 H GLU 47 H GLU 47 -0.466 7.436 -5.534 348 HA GLU 47 HA GLU 47 0.777 7.908 -2.862 349 HB2 GLU 47 HB1 GLU 47 1.579 9.991 -3.728 350 HB3 GLU 47 HB2 GLU 47 2.020 8.686 -4.860 351 HG2 GLU 47 HG1 GLU 47 0.240 9.311 -6.365 352 HG3 GLU 47 HG2 GLU 47 -0.409 10.499 -5.225 353 H THR 48 H THR 48 0.016 10.081 -1.860 354 HA THR 48 HA THR 48 -2.701 11.035 -2.593 355 HB THR 48 HB THR 48 -1.986 9.975 0.177 356 HG1 THR 48 HG1 THR 48 -2.792 8.840 -2.014 357 HG21 THR 48 HG21 THR 48 -3.567 11.874 0.313 358 HG22 THR 48 HG22 THR 48 -4.384 10.348 0.671 359 HG23 THR 48 HG23 THR 48 -4.603 11.112 -0.919 360 H PHE 49 H PHE 49 -2.936 13.222 -1.890 361 HA PHE 49 HA PHE 49 -0.699 14.593 -0.574 362 HB2 PHE 49 HB1 PHE 49 -0.053 15.858 -2.578 363 HB3 PHE 49 HB2 PHE 49 0.291 14.138 -2.731 364 HD1 PHE 49 HD2 PHE 49 -1.079 12.719 -4.347 365 HD2 PHE 49 HD1 PHE 49 -1.555 17.000 -4.043 366 HE1 PHE 49 HE2 PHE 49 -2.401 12.717 -6.391 367 HE2 PHE 49 HE1 PHE 49 -2.809 16.999 -6.176 368 HZ PHE 49 HZ PHE 49 -3.314 14.861 -7.328 369 H MET 50 H MET 50 -0.868 17.029 -0.945 370 HA MET 50 HA MET 50 -3.684 17.961 -0.725 371 HB2 MET 50 HB1 MET 50 -2.307 18.203 1.327 372 HB3 MET 50 HB2 MET 50 -1.121 19.163 0.423 373 HG2 MET 50 HG1 MET 50 -2.780 20.861 -0.055 374 HG3 MET 50 HG2 MET 50 -4.062 19.846 0.628 375 HE1 MET 50 HE1 MET 50 -1.180 22.695 2.734 376 HE2 MET 50 HE2 MET 50 -0.712 21.702 1.346 377 HE3 MET 50 HE3 MET 50 -2.002 22.913 1.170 378 H ARG 51 H ARG 51 -4.317 19.719 -1.978 379 HA ARG 51 HA ARG 51 -2.503 21.053 -3.841 380 HB2 ARG 51 HB1 ARG 51 -3.871 20.263 -5.829 381 HB3 ARG 51 HB2 ARG 51 -2.747 19.078 -5.133 382 HG2 ARG 51 HG1 ARG 51 -4.445 17.732 -4.335 383 HG3 ARG 51 HG2 ARG 51 -5.592 19.077 -4.152 384 HD2 ARG 51 HD1 ARG 51 -5.789 19.192 -6.641 385 HD3 ARG 51 HD2 ARG 51 -4.826 17.706 -6.738 386 HE ARG 51 HE ARG 51 -6.863 17.168 -4.901 387 HH11 ARG 51 HH12 ARG 51 -6.820 17.944 -8.346 388 HH12 ARG 51 HH11 ARG 51 -8.454 17.383 -8.566 389 HH21 ARG 51 HH22 ARG 51 -8.843 16.443 -5.216 390 HH22 ARG 51 HH21 ARG 51 -9.594 16.468 -6.792 391 H GLU 52 H GLU 52 -3.367 22.893 -4.793 392 HA GLU 52 HA GLU 52 -5.849 23.900 -3.763 393 HB2 GLU 52 HB1 GLU 52 -3.444 24.915 -4.942 394 HB3 GLU 52 HB2 GLU 52 -4.814 25.514 -5.907 395 HG2 GLU 52 HG1 GLU 52 -4.273 27.055 -4.072 396 HG3 GLU 52 HG2 GLU 52 -5.901 26.340 -3.932 397 H VAL 53 H VAL 53 -7.793 23.861 -4.611 398 HA VAL 53 HA VAL 53 -8.149 24.005 -7.536 399 HB VAL 53 HB VAL 53 -9.852 22.112 -5.838 400 HG11 VAL 53 HG11 VAL 53 -10.901 21.512 -8.017 401 HG12 VAL 53 HG12 VAL 53 -11.141 23.217 -7.640 402 HG13 VAL 53 HG13 VAL 53 -9.912 22.746 -8.828 403 HG21 VAL 53 HG21 VAL 53 -9.002 20.273 -7.256 404 HG22 VAL 53 HG22 VAL 53 -7.880 21.391 -8.057 405 HG23 VAL 53 HG23 VAL 53 -7.691 21.006 -6.333 406 H GLU 54 H GLU 54 -9.727 25.555 -7.950 407 HA GLU 54 HA GLU 54 -11.013 27.373 -7.630 408 HB2 GLU 54 HB1 GLU 54 -11.608 26.461 -4.810 409 HB3 GLU 54 HB2 GLU 54 -12.539 27.628 -5.756 410 HG2 GLU 54 HG1 GLU 54 -13.558 25.902 -7.041 411 HG3 GLU 54 HG2 GLU 54 -12.416 24.676 -6.439 412 H GLY 55 H GLY 55 -8.223 26.988 -6.239 413 HA2 GLY 55 HA3 GLY 55 -6.714 28.424 -5.095 414 HA3 GLY 55 HA2 GLY 55 -8.013 29.629 -4.934 415 H LYS 56 H LYS 56 -8.632 26.335 -3.960 416 HA LYS 56 HA LYS 56 -8.314 26.941 -1.068 417 HB2 LYS 56 HB1 LYS 56 -10.583 25.548 -2.555 418 HB3 LYS 56 HB2 LYS 56 -10.354 25.417 -0.799 419 HG2 LYS 56 HG1 LYS 56 -10.978 27.629 -0.417 420 HG3 LYS 56 HG2 LYS 56 -10.597 28.149 -2.080 421 HD2 LYS 56 HD1 LYS 56 -13.005 28.133 -1.677 422 HD3 LYS 56 HD2 LYS 56 -12.520 27.005 -2.955 423 HE2 LYS 56 HE1 LYS 56 -12.561 25.267 -0.919 424 HE3 LYS 56 HE2 LYS 56 -13.659 26.476 -0.226 425 HZ1 LYS 56 HZ1 LYS 56 -15.091 25.085 -1.496 426 HZ2 LYS 56 HZ2 LYS 56 -13.981 24.869 -2.697 427 HZ3 LYS 56 HZ3 LYS 56 -14.723 26.232 -2.646 428 H LYS 57 H LYS 57 -6.901 25.606 -0.253 429 HA LYS 57 HA LYS 57 -5.822 23.342 -1.361 430 HB2 LYS 57 HB1 LYS 57 -4.937 22.833 0.948 431 HB3 LYS 57 HB2 LYS 57 -4.533 24.398 0.209 432 HG2 LYS 57 HG1 LYS 57 -5.761 25.600 1.728 433 HG3 LYS 57 HG2 LYS 57 -6.894 24.298 2.087 434 HD2 LYS 57 HD1 LYS 57 -4.012 23.896 2.838 435 HD3 LYS 57 HD2 LYS 57 -4.989 25.055 3.791 436 HE2 LYS 57 HE1 LYS 57 -4.968 22.815 4.817 437 HE3 LYS 57 HE2 LYS 57 -6.600 23.340 4.340 438 HZ1 LYS 57 HZ1 LYS 57 -6.462 21.898 2.445 439 HZ2 LYS 57 HZ2 LYS 57 -6.130 21.014 3.782 440 HZ3 LYS 57 HZ3 LYS 57 -4.908 21.480 2.779 441 H VAL 58 H VAL 58 -7.122 21.817 -2.056 442 HA VAL 58 HA VAL 58 -8.729 20.131 -0.202 443 HB VAL 58 HB VAL 58 -9.643 19.111 -2.216 444 HG11 VAL 58 HG11 VAL 58 -10.026 22.128 -2.232 445 HG12 VAL 58 HG12 VAL 58 -11.147 20.912 -2.873 446 HG13 VAL 58 HG13 VAL 58 -10.828 20.987 -1.131 447 HG21 VAL 58 HG21 VAL 58 -7.822 19.512 -3.828 448 HG22 VAL 58 HG22 VAL 58 -9.387 20.045 -4.443 449 HG23 VAL 58 HG23 VAL 58 -8.224 21.245 -3.844 450 H MET 59 H MET 59 -8.528 17.716 -1.322 451 HA MET 59 HA MET 59 -5.597 17.109 -1.445 452 HB2 MET 59 HB1 MET 59 -7.741 15.619 0.079 453 HB3 MET 59 HB2 MET 59 -6.110 14.971 -0.277 454 HG2 MET 59 HG1 MET 59 -5.748 15.859 1.791 455 HG3 MET 59 HG2 MET 59 -5.258 17.208 0.763 456 HE1 MET 59 HE1 MET 59 -6.691 16.427 3.984 457 HE2 MET 59 HE2 MET 59 -8.329 17.120 4.070 458 HE3 MET 59 HE3 MET 59 -8.018 15.699 3.051 459 H GLY 60 H GLY 60 -5.125 14.958 -2.357 460 HA2 GLY 60 HA3 GLY 60 -6.855 14.114 -4.581 461 HA3 GLY 60 HA2 GLY 60 -5.316 14.893 -5.012 462 H MET 61 H MET 61 -5.769 12.396 -5.869 463 HA MET 61 HA MET 61 -3.642 10.787 -4.642 464 HB2 MET 61 HB1 MET 61 -5.480 9.890 -3.440 465 HB3 MET 61 HB2 MET 61 -6.570 10.053 -4.830 466 HG2 MET 61 HG1 MET 61 -5.161 8.233 -5.929 467 HG3 MET 61 HG2 MET 61 -4.451 7.959 -4.347 468 HE1 MET 61 HE1 MET 61 -8.178 7.236 -2.562 469 HE2 MET 61 HE2 MET 61 -6.606 8.008 -2.228 470 HE3 MET 61 HE3 MET 61 -7.844 8.870 -3.186 471 H ARG 62 H ARG 62 -2.705 9.424 -6.086 472 HA ARG 62 HA ARG 62 -3.561 9.350 -8.912 473 HB2 ARG 62 HB1 ARG 62 -1.057 10.687 -7.831 474 HB3 ARG 62 HB2 ARG 62 -1.075 9.974 -9.460 475 HG2 ARG 62 HG1 ARG 62 -3.093 11.452 -9.938 476 HG3 ARG 62 HG2 ARG 62 -2.730 12.309 -8.439 477 HD2 ARG 62 HD1 ARG 62 -0.917 12.026 -10.869 478 HD3 ARG 62 HD2 ARG 62 -1.744 13.498 -10.325 479 HE ARG 62 HE ARG 62 -0.108 12.600 -8.180 480 HH11 ARG 62 HH12 ARG 62 0.533 13.927 -11.387 481 HH12 ARG 62 HH11 ARG 62 2.187 14.294 -10.959 482 HH21 ARG 62 HH22 ARG 62 1.861 12.957 -7.736 483 HH22 ARG 62 HH21 ARG 62 2.957 13.792 -8.812 484 HA PRO 63 HA PRO 63 -1.173 5.517 -8.347 485 HB2 PRO 63 HB1 PRO 63 -0.856 4.623 -10.863 486 HB3 PRO 63 HB2 PRO 63 -2.465 4.614 -10.079 487 HG2 PRO 63 HG1 PRO 63 -1.332 6.702 -11.967 488 HG3 PRO 63 HG2 PRO 63 -2.941 5.896 -12.044 489 HD2 PRO 63 HD1 PRO 63 -2.538 8.379 -10.887 490 HD3 PRO 63 HD2 PRO 63 -3.781 7.234 -10.306 491 H VAL 64 H VAL 64 1.006 4.832 -8.627 492 HA VAL 64 HA VAL 64 2.896 6.731 -9.924 493 HB VAL 64 HB VAL 64 4.395 6.636 -7.931 494 HG11 VAL 64 HG11 VAL 64 3.322 8.366 -6.700 495 HG12 VAL 64 HG12 VAL 64 2.919 8.577 -8.409 496 HG13 VAL 64 HG13 VAL 64 1.715 7.885 -7.299 497 HG21 VAL 64 HG21 VAL 64 2.018 5.470 -6.446 498 HG22 VAL 64 HG22 VAL 64 3.583 4.680 -6.778 499 HG23 VAL 64 HG23 VAL 64 3.510 6.089 -5.714 500 HA PRO 65 HA PRO 65 4.519 3.128 -11.514 501 HB2 PRO 65 HB1 PRO 65 7.074 3.661 -12.183 502 HB3 PRO 65 HB2 PRO 65 5.704 4.610 -12.843 503 HG2 PRO 65 HG1 PRO 65 7.492 5.317 -10.502 504 HG3 PRO 65 HG2 PRO 65 7.034 6.355 -11.899 505 HD2 PRO 65 HD1 PRO 65 5.737 6.446 -9.476 506 HD3 PRO 65 HD2 PRO 65 4.889 6.723 -11.013 507 H PHE 66 H PHE 66 6.305 4.144 -8.648 508 HA PHE 66 HA PHE 66 6.454 1.537 -7.553 509 HB2 PHE 66 HB1 PHE 66 8.853 1.120 -7.598 510 HB3 PHE 66 HB2 PHE 66 8.159 1.087 -9.217 511 HD1 PHE 66 HD2 PHE 66 10.239 3.014 -6.853 512 HD2 PHE 66 HD1 PHE 66 8.772 2.708 -10.870 513 HE1 PHE 66 HE2 PHE 66 11.762 4.826 -7.488 514 HE2 PHE 66 HE1 PHE 66 10.407 4.485 -11.588 515 HZ PHE 66 HZ PHE 66 11.891 5.555 -9.894 516 H LEU 67 H LEU 67 7.801 1.470 -5.576 517 HA LEU 67 HA LEU 67 8.534 4.135 -4.399 518 HB2 LEU 67 HB1 LEU 67 7.887 1.505 -2.978 519 HB3 LEU 67 HB2 LEU 67 8.364 3.006 -2.182 520 HG LEU 67 HG LEU 67 5.745 2.332 -3.554 521 HD11 LEU 67 HD11 LEU 67 4.840 2.814 -1.323 522 HD12 LEU 67 HD12 LEU 67 6.469 3.236 -0.737 523 HD13 LEU 67 HD13 LEU 67 6.104 1.569 -1.230 524 HD21 LEU 67 HD21 LEU 67 4.968 4.618 -2.968 525 HD22 LEU 67 HD22 LEU 67 6.228 4.648 -4.199 526 HD23 LEU 67 HD23 LEU 67 6.633 5.062 -2.516 527 H GLU 68 H GLU 68 10.537 4.152 -3.180 528 HA GLU 68 HA GLU 68 12.517 2.023 -3.881 529 HB2 GLU 68 HB1 GLU 68 12.815 4.058 -5.281 530 HB3 GLU 68 HB2 GLU 68 12.930 5.039 -3.797 531 HG2 GLU 68 HG1 GLU 68 15.141 4.783 -4.393 532 HG3 GLU 68 HG2 GLU 68 14.973 3.514 -3.192 533 H VAL 69 H VAL 69 13.859 1.427 -2.168 534 HA VAL 69 HA VAL 69 14.115 3.252 0.108 535 HB VAL 69 HB VAL 69 13.158 0.381 0.508 536 HG11 VAL 69 HG11 VAL 69 14.704 0.896 2.351 537 HG12 VAL 69 HG12 VAL 69 13.795 2.380 2.718 538 HG13 VAL 69 HG13 VAL 69 13.054 0.788 2.932 539 HG21 VAL 69 HG21 VAL 69 11.818 3.034 1.190 540 HG22 VAL 69 HG22 VAL 69 11.295 1.840 -0.026 541 HG23 VAL 69 HG23 VAL 69 11.215 1.447 1.692 542 HA PRO 70 HA PRO 70 18.294 1.759 -0.145 543 HB2 PRO 70 HB1 PRO 70 19.402 2.941 2.063 544 HB3 PRO 70 HB2 PRO 70 18.908 3.855 0.607 545 HG2 PRO 70 HG1 PRO 70 17.308 3.419 3.150 546 HG3 PRO 70 HG2 PRO 70 17.654 4.977 2.317 547 HD2 PRO 70 HD1 PRO 70 15.329 3.653 1.891 548 HD3 PRO 70 HD2 PRO 70 16.185 4.438 0.533 549 HA PRO 71 HA PRO 71 18.746 -1.879 2.217 550 HB2 PRO 71 HB1 PRO 71 21.443 -2.108 2.708 551 HB3 PRO 71 HB2 PRO 71 20.625 -2.372 1.135 552 HG2 PRO 71 HG1 PRO 71 22.052 0.108 2.104 553 HG3 PRO 71 HG2 PRO 71 22.177 -0.695 0.495 554 HD2 PRO 71 HD1 PRO 71 20.590 1.473 0.882 555 HD3 PRO 71 HD2 PRO 71 20.100 0.130 -0.191 556 H LYS 72 H LYS 72 18.747 -2.814 4.144 557 HA LYS 72 HA LYS 72 18.562 -3.138 6.337 558 HB2 LYS 72 HB1 LYS 72 20.591 -0.939 6.775 559 HB3 LYS 72 HB2 LYS 72 20.205 -2.288 7.862 560 HG2 LYS 72 HG1 LYS 72 21.543 -2.472 5.137 561 HG3 LYS 72 HG2 LYS 72 22.319 -2.639 6.723 562 HD2 LYS 72 HD1 LYS 72 21.139 -4.740 7.129 563 HD3 LYS 72 HD2 LYS 72 20.164 -4.523 5.648 564 HE2 LYS 72 HE1 LYS 72 22.223 -4.537 4.292 565 HE3 LYS 72 HE2 LYS 72 23.198 -4.854 5.724 566 HZ1 LYS 72 HZ1 LYS 72 22.071 -6.972 5.943 567 HZ2 LYS 72 HZ2 LYS 72 22.661 -6.821 4.414 568 HZ3 LYS 72 HZ3 LYS 72 21.057 -6.634 4.687 569 H GLY 73 H GLY 73 17.549 -0.358 5.013 570 HA2 GLY 73 HA3 GLY 73 16.275 0.795 7.430 571 HA3 GLY 73 HA2 GLY 73 16.205 1.449 5.778 572 H ARG 74 H ARG 74 13.950 1.407 7.317 573 HA ARG 74 HA ARG 74 12.335 0.076 5.362 574 HB2 ARG 74 HB1 ARG 74 10.736 -0.966 6.696 575 HB3 ARG 74 HB2 ARG 74 12.341 -1.645 7.021 576 HG2 ARG 74 HG1 ARG 74 12.326 -0.648 9.251 577 HG3 ARG 74 HG2 ARG 74 10.751 0.110 8.916 578 HD2 ARG 74 HD1 ARG 74 9.673 -1.970 8.559 579 HD3 ARG 74 HD2 ARG 74 11.223 -2.819 8.632 580 HE ARG 74 HE ARG 74 10.491 -1.399 11.071 581 HH11 ARG 74 HH12 ARG 74 9.840 -4.492 9.321 582 HH12 ARG 74 HH11 ARG 74 9.666 -5.353 10.781 583 HH21 ARG 74 HH22 ARG 74 10.032 -2.584 12.878 584 HH22 ARG 74 HH21 ARG 74 9.583 -4.270 12.745 585 H VAL 75 H VAL 75 10.278 0.891 5.110 586 HA VAL 75 HA VAL 75 9.606 3.550 6.190 587 HB VAL 75 HB VAL 75 10.506 3.268 3.288 588 HG11 VAL 75 HG11 VAL 75 10.091 5.716 3.157 589 HG12 VAL 75 HG12 VAL 75 8.623 4.816 3.522 590 HG13 VAL 75 HG13 VAL 75 9.460 5.694 4.818 591 HG21 VAL 75 HG21 VAL 75 11.840 4.852 5.521 592 HG22 VAL 75 HG22 VAL 75 12.520 3.451 4.653 593 HG23 VAL 75 HG23 VAL 75 12.243 4.962 3.795 594 H GLU 76 H GLU 76 7.535 2.891 6.574 595 HA GLU 76 HA GLU 76 6.183 1.075 4.806 596 HB2 GLU 76 HB1 GLU 76 4.693 2.452 7.004 597 HB3 GLU 76 HB2 GLU 76 4.638 0.740 6.449 598 HG2 GLU 76 HG1 GLU 76 5.577 0.514 8.501 599 HG3 GLU 76 HG2 GLU 76 7.003 0.532 7.469 600 H LEU 77 H LEU 77 3.758 1.436 4.212 601 HA LEU 77 HA LEU 77 3.545 3.866 2.549 602 HB2 LEU 77 HB1 LEU 77 2.017 1.288 2.759 603 HB3 LEU 77 HB2 LEU 77 1.314 2.722 1.953 604 HG LEU 77 HG LEU 77 3.388 2.718 0.462 605 HD11 LEU 77 HD11 LEU 77 3.699 -0.060 1.590 606 HD12 LEU 77 HD12 LEU 77 4.924 1.217 1.539 607 HD13 LEU 77 HD13 LEU 77 4.368 0.435 0.035 608 HD21 LEU 77 HD21 LEU 77 1.205 2.136 -0.319 609 HD22 LEU 77 HD22 LEU 77 1.367 0.485 0.326 610 HD23 LEU 77 HD23 LEU 77 2.384 1.055 -1.032 611 H LYS 78 H LYS 78 3.720 5.038 4.604 612 HA LYS 78 HA LYS 78 1.954 5.617 6.498 613 HB2 LYS 78 HB1 LYS 78 2.418 8.079 6.128 614 HB3 LYS 78 HB2 LYS 78 3.793 7.003 6.416 615 HG2 LYS 78 HG1 LYS 78 2.996 8.119 3.689 616 HG3 LYS 78 HG2 LYS 78 4.236 8.809 4.783 617 HD2 LYS 78 HD1 LYS 78 5.240 6.413 4.725 618 HD3 LYS 78 HD2 LYS 78 4.292 6.230 3.232 619 HE2 LYS 78 HE1 LYS 78 5.539 8.052 2.192 620 HE3 LYS 78 HE2 LYS 78 6.489 8.252 3.685 621 HZ1 LYS 78 HZ1 LYS 78 6.326 5.742 2.098 622 HZ2 LYS 78 HZ2 LYS 78 7.190 5.931 3.444 623 HZ3 LYS 78 HZ3 LYS 78 7.617 6.777 2.095 624 HA PRO 79 HA PRO 79 -1.744 5.422 4.538 625 HB2 PRO 79 HB1 PRO 79 -3.587 5.866 6.516 626 HB3 PRO 79 HB2 PRO 79 -2.408 4.521 6.604 627 HG2 PRO 79 HG1 PRO 79 -2.062 7.324 7.754 628 HG3 PRO 79 HG2 PRO 79 -1.984 5.778 8.660 629 HD2 PRO 79 HD1 PRO 79 0.291 6.859 7.744 630 HD3 PRO 79 HD2 PRO 79 0.004 5.111 7.479 631 H GLY 80 H GLY 80 -0.925 8.596 5.483 632 HA2 GLY 80 HA3 GLY 80 -3.298 9.768 4.142 633 HA3 GLY 80 HA2 GLY 80 -2.120 10.639 5.152 634 H GLY 81 H GLY 81 -0.252 8.660 3.171 635 HA2 GLY 81 HA3 GLY 81 -0.235 10.621 0.930 636 HA3 GLY 81 HA2 GLY 81 1.259 10.353 1.856 637 H TYR 82 H TYR 82 0.461 7.346 1.927 638 HA TYR 82 HA TYR 82 0.514 6.626 -0.935 639 HB2 TYR 82 HB1 TYR 82 2.627 5.701 1.029 640 HB3 TYR 82 HB2 TYR 82 2.300 4.917 -0.530 641 HD1 TYR 82 HD1 TYR 82 2.753 6.108 -2.679 642 HD2 TYR 82 HD2 TYR 82 3.709 7.857 1.137 643 HE1 TYR 82 HE1 TYR 82 4.201 7.749 -3.817 644 HE2 TYR 82 HE2 TYR 82 5.100 9.576 -0.007 645 HH TYR 82 HH TYR 82 5.386 9.703 -3.558 646 H HIS 83 H HIS 83 -0.326 4.687 -1.441 647 HA HIS 83 HA HIS 83 -0.846 2.584 0.441 648 HB2 HIS 83 HB1 HIS 83 -3.289 2.578 0.295 649 HB3 HIS 83 HB2 HIS 83 -2.664 4.007 1.135 650 HD1 HIS 83 HD1 HIS 83 -2.666 6.353 -0.480 651 HD2 HIS 83 HD2 HIS 83 -4.770 2.975 -1.840 652 HE1 HIS 83 HE1 HIS 83 -4.031 7.093 -2.487 653 H PHE 84 H PHE 84 -1.569 0.643 -0.703 654 HA PHE 84 HA PHE 84 -1.496 0.763 -3.675 655 HB2 PHE 84 HB1 PHE 84 -1.940 -1.503 -1.696 656 HB3 PHE 84 HB2 PHE 84 -2.206 -1.675 -3.449 657 HD1 PHE 84 HD1 PHE 84 0.337 -1.131 -0.826 658 HD2 PHE 84 HD2 PHE 84 -0.381 -1.754 -5.027 659 HE1 PHE 84 HE1 PHE 84 2.787 -1.334 -1.225 660 HE2 PHE 84 HE2 PHE 84 2.046 -2.040 -5.405 661 HZ PHE 84 HZ PHE 84 3.629 -1.763 -3.501 662 H MET 85 H MET 85 -3.447 0.339 -4.866 663 HA MET 85 HA MET 85 -6.103 0.505 -3.488 664 HB2 MET 85 HB1 MET 85 -5.288 1.980 -5.641 665 HB3 MET 85 HB2 MET 85 -6.061 0.591 -6.432 666 HG2 MET 85 HG1 MET 85 -7.759 2.216 -6.126 667 HG3 MET 85 HG2 MET 85 -8.061 0.945 -4.945 668 HE1 MET 85 HE1 MET 85 -9.311 1.975 -2.890 669 HE2 MET 85 HE2 MET 85 -9.322 3.731 -2.629 670 HE3 MET 85 HE3 MET 85 -9.785 3.067 -4.215 671 H LEU 86 H LEU 86 -7.259 -1.383 -3.515 672 HA LEU 86 HA LEU 86 -6.277 -3.739 -5.115 673 HB2 LEU 86 HB1 LEU 86 -7.496 -3.487 -2.336 674 HB3 LEU 86 HB2 LEU 86 -7.448 -5.027 -3.242 675 HG LEU 86 HG LEU 86 -4.994 -5.007 -3.163 676 HD11 LEU 86 HD11 LEU 86 -3.838 -3.484 -1.520 677 HD12 LEU 86 HD12 LEU 86 -5.305 -2.480 -1.469 678 HD13 LEU 86 HD13 LEU 86 -4.373 -2.661 -2.974 679 HD21 LEU 86 HD21 LEU 86 -6.370 -6.109 -1.412 680 HD22 LEU 86 HD22 LEU 86 -6.361 -4.608 -0.461 681 HD23 LEU 86 HD23 LEU 86 -4.848 -5.504 -0.740 682 H LEU 87 H LEU 87 -7.811 -4.683 -6.440 683 HA LEU 87 HA LEU 87 -10.675 -3.883 -6.081 684 HB2 LEU 87 HB1 LEU 87 -9.212 -3.996 -8.736 685 HB3 LEU 87 HB2 LEU 87 -10.911 -3.541 -8.435 686 HG LEU 87 HG LEU 87 -9.797 -1.583 -7.028 687 HD11 LEU 87 HD11 LEU 87 -7.718 -0.734 -8.053 688 HD12 LEU 87 HD12 LEU 87 -7.610 -2.160 -9.094 689 HD13 LEU 87 HD13 LEU 87 -7.395 -2.312 -7.344 690 HD21 LEU 87 HD21 LEU 87 -11.242 -1.281 -8.987 691 HD22 LEU 87 HD22 LEU 87 -9.881 -1.646 -10.075 692 HD23 LEU 87 HD23 LEU 87 -9.860 -0.180 -9.071 693 H GLY 88 H GLY 88 -12.219 -5.340 -6.651 694 HA2 GLY 88 HA3 GLY 88 -13.187 -7.262 -7.494 695 HA3 GLY 88 HA2 GLY 88 -11.648 -7.660 -8.293 696 H LEU 89 H LEU 89 -12.221 -7.154 -4.836 697 HA LEU 89 HA LEU 89 -10.685 -9.221 -3.904 698 HB2 LEU 89 HB1 LEU 89 -12.043 -9.024 -1.760 699 HB3 LEU 89 HB2 LEU 89 -11.082 -7.657 -2.358 700 HG LEU 89 HG LEU 89 -13.152 -6.545 -3.109 701 HD11 LEU 89 HD11 LEU 89 -14.588 -8.955 -1.913 702 HD12 LEU 89 HD12 LEU 89 -14.638 -8.404 -3.606 703 HD13 LEU 89 HD13 LEU 89 -15.370 -7.417 -2.342 704 HD21 LEU 89 HD21 LEU 89 -13.230 -7.473 -0.209 705 HD22 LEU 89 HD22 LEU 89 -14.025 -6.028 -0.863 706 HD23 LEU 89 HD23 LEU 89 -12.258 -6.134 -0.854 707 H LYS 90 H LYS 90 -10.871 -11.028 -2.859 708 HA LYS 90 HA LYS 90 -12.821 -12.896 -4.153 709 HB2 LYS 90 HB1 LYS 90 -10.084 -13.457 -2.974 710 HB3 LYS 90 HB2 LYS 90 -11.094 -14.586 -3.912 711 HG2 LYS 90 HG1 LYS 90 -9.666 -12.093 -4.907 712 HG3 LYS 90 HG2 LYS 90 -9.383 -13.784 -5.379 713 HD2 LYS 90 HD1 LYS 90 -11.702 -13.843 -6.336 714 HD3 LYS 90 HD2 LYS 90 -11.838 -12.103 -5.949 715 HE2 LYS 90 HE1 LYS 90 -9.764 -11.782 -7.411 716 HE3 LYS 90 HE2 LYS 90 -10.063 -13.416 -8.012 717 HZ1 LYS 90 HZ1 LYS 90 -12.361 -12.606 -8.575 718 HZ2 LYS 90 HZ2 LYS 90 -11.218 -11.811 -9.407 719 HZ3 LYS 90 HZ3 LYS 90 -11.893 -11.086 -8.113 720 H ARG 91 H ARG 91 -12.470 -11.512 -1.189 721 HA ARG 91 HA ARG 91 -14.376 -13.389 0.015 722 HB2 ARG 91 HB1 ARG 91 -11.826 -12.474 1.421 723 HB3 ARG 91 HB2 ARG 91 -13.182 -13.325 2.203 724 HG2 ARG 91 HG1 ARG 91 -12.744 -15.325 0.895 725 HG3 ARG 91 HG2 ARG 91 -11.441 -14.500 0.003 726 HD2 ARG 91 HD1 ARG 91 -10.168 -14.184 2.068 727 HD3 ARG 91 HD2 ARG 91 -11.475 -14.935 3.008 728 HE ARG 91 HE ARG 91 -10.738 -17.013 2.360 729 HH11 ARG 91 HH12 ARG 91 -9.160 -14.667 0.244 730 HH12 ARG 91 HH11 ARG 91 -8.250 -15.852 -0.616 731 HH21 ARG 91 HH22 ARG 91 -9.417 -18.534 1.340 732 HH22 ARG 91 HH21 ARG 91 -8.323 -18.025 0.087 733 HA PRO 92 HA PRO 92 -15.490 -9.304 1.929 734 HB2 PRO 92 HB1 PRO 92 -16.997 -10.148 4.016 735 HB3 PRO 92 HB2 PRO 92 -17.635 -10.183 2.342 736 HG2 PRO 92 HG1 PRO 92 -16.391 -12.465 3.903 737 HG3 PRO 92 HG2 PRO 92 -17.931 -12.471 2.974 738 HD2 PRO 92 HD1 PRO 92 -15.545 -13.389 1.944 739 HD3 PRO 92 HD2 PRO 92 -16.785 -12.602 0.926 740 H LEU 93 H LEU 93 -14.946 -8.402 4.157 741 HA LEU 93 HA LEU 93 -13.071 -9.780 5.818 742 HB2 LEU 93 HB1 LEU 93 -11.149 -8.359 5.248 743 HB3 LEU 93 HB2 LEU 93 -11.630 -9.448 3.926 744 HG LEU 93 HG LEU 93 -12.935 -7.213 3.120 745 HD11 LEU 93 HD11 LEU 93 -11.569 -5.210 3.524 746 HD12 LEU 93 HD12 LEU 93 -10.493 -6.127 4.601 747 HD13 LEU 93 HD13 LEU 93 -12.180 -5.833 5.061 748 HD21 LEU 93 HD21 LEU 93 -11.009 -6.739 1.660 749 HD22 LEU 93 HD22 LEU 93 -11.306 -8.478 1.789 750 HD23 LEU 93 HD23 LEU 93 -9.965 -7.741 2.697 751 H LYS 94 H LYS 94 -12.666 -8.576 7.642 752 HA LYS 94 HA LYS 94 -14.023 -5.935 7.972 753 HB2 LYS 94 HB1 LYS 94 -15.272 -6.784 9.882 754 HB3 LYS 94 HB2 LYS 94 -15.617 -7.774 8.445 755 HG2 LYS 94 HG1 LYS 94 -13.941 -9.447 9.232 756 HG3 LYS 94 HG2 LYS 94 -13.666 -8.486 10.697 757 HD2 LYS 94 HD1 LYS 94 -16.111 -8.716 11.225 758 HD3 LYS 94 HD2 LYS 94 -16.243 -9.804 9.828 759 HE2 LYS 94 HE1 LYS 94 -14.299 -10.226 12.151 760 HE3 LYS 94 HE2 LYS 94 -15.933 -10.918 12.140 761 HZ1 LYS 94 HZ1 LYS 94 -15.298 -12.172 10.154 762 HZ2 LYS 94 HZ2 LYS 94 -14.153 -12.448 11.307 763 HZ3 LYS 94 HZ3 LYS 94 -13.855 -11.458 10.071 764 H ALA 95 H ALA 95 -13.785 -4.983 10.138 765 HA ALA 95 HA ALA 95 -11.134 -4.645 10.936 766 HB1 ALA 95 HB1 ALA 95 -12.843 -2.972 11.339 767 HB2 ALA 95 HB2 ALA 95 -13.734 -4.065 12.427 768 HB3 ALA 95 HB3 ALA 95 -12.129 -3.451 12.880 769 H GLY 96 H GLY 96 -9.945 -5.546 12.324 770 HA2 GLY 96 HA3 GLY 96 -9.244 -6.729 14.277 771 HA3 GLY 96 HA2 GLY 96 -10.848 -7.493 14.376 772 H GLU 97 H GLU 97 -10.003 -7.852 11.180 773 HA GLU 97 HA GLU 97 -8.877 -10.561 11.553 774 HB2 GLU 97 HB1 GLU 97 -9.791 -8.989 9.114 775 HB3 GLU 97 HB2 GLU 97 -9.131 -10.646 9.049 776 HG2 GLU 97 HG1 GLU 97 -10.852 -11.401 10.633 777 HG3 GLU 97 HG2 GLU 97 -11.602 -9.804 10.610 778 H GLU 98 H GLU 98 -7.329 -10.926 9.425 779 HA GLU 98 HA GLU 98 -5.016 -9.238 9.499 780 HB2 GLU 98 HB1 GLU 98 -3.545 -11.169 9.960 781 HB3 GLU 98 HB2 GLU 98 -4.550 -10.732 11.363 782 HG2 GLU 98 HG1 GLU 98 -6.093 -12.607 10.795 783 HG3 GLU 98 HG2 GLU 98 -5.017 -13.074 9.460 784 H VAL 99 H VAL 99 -4.062 -9.386 7.644 785 HA VAL 99 HA VAL 99 -4.988 -11.210 5.448 786 HB VAL 99 HB VAL 99 -5.102 -8.167 5.475 787 HG11 VAL 99 HG11 VAL 99 -5.298 -10.007 3.044 788 HG12 VAL 99 HG12 VAL 99 -5.767 -8.293 3.065 789 HG13 VAL 99 HG13 VAL 99 -4.084 -8.736 3.325 790 HG21 VAL 99 HG21 VAL 99 -7.148 -9.368 6.286 791 HG22 VAL 99 HG22 VAL 99 -7.445 -8.520 4.764 792 HG23 VAL 99 HG23 VAL 99 -7.201 -10.281 4.771 793 H GLU 100 H GLU 100 -3.438 -11.864 4.113 794 HA GLU 100 HA GLU 100 -0.720 -10.737 4.427 795 HB2 GLU 100 HB1 GLU 100 0.131 -12.707 3.405 796 HB3 GLU 100 HB2 GLU 100 -0.914 -13.128 4.770 797 HG2 GLU 100 HG1 GLU 100 -2.624 -13.950 3.319 798 HG3 GLU 100 HG2 GLU 100 -1.906 -13.171 1.893 799 H LEU 101 H LEU 101 0.660 -10.297 2.693 800 HA LEU 101 HA LEU 101 -0.335 -10.380 -0.009 801 HB2 LEU 101 HB1 LEU 101 0.669 -7.934 -0.213 802 HB3 LEU 101 HB2 LEU 101 -1.048 -8.302 0.034 803 HG LEU 101 HG LEU 101 -0.733 -7.787 2.451 804 HD11 LEU 101 HD11 LEU 101 1.383 -6.403 2.947 805 HD12 LEU 101 HD12 LEU 101 2.024 -7.018 1.417 806 HD13 LEU 101 HD13 LEU 101 1.608 -8.149 2.718 807 HD21 LEU 101 HD21 LEU 101 -1.692 -6.190 0.867 808 HD22 LEU 101 HD22 LEU 101 -0.071 -5.618 0.424 809 HD23 LEU 101 HD23 LEU 101 -0.699 -5.333 2.066 810 H ASP 102 H ASP 102 1.115 -10.074 -1.520 811 HA ASP 102 HA ASP 102 3.994 -10.685 -0.948 812 HB2 ASP 102 HB1 ASP 102 2.056 -11.544 -3.001 813 HB3 ASP 102 HB2 ASP 102 3.587 -10.944 -3.684 814 H LEU 103 H LEU 103 5.473 -9.187 -1.494 815 HA LEU 103 HA LEU 103 4.724 -6.692 -2.903 816 HB2 LEU 103 HB1 LEU 103 7.046 -7.714 -1.238 817 HB3 LEU 103 HB2 LEU 103 7.195 -6.257 -2.241 818 HG LEU 103 HG LEU 103 5.296 -5.257 -0.981 819 HD11 LEU 103 HD11 LEU 103 4.780 -6.227 1.305 820 HD12 LEU 103 HD12 LEU 103 5.514 -7.743 0.733 821 HD13 LEU 103 HD13 LEU 103 4.070 -7.081 -0.061 822 HD21 LEU 103 HD21 LEU 103 7.620 -4.725 -0.417 823 HD22 LEU 103 HD22 LEU 103 7.719 -6.149 0.648 824 HD23 LEU 103 HD23 LEU 103 6.670 -4.786 1.069 825 H LEU 104 H LEU 104 5.371 -6.306 -4.997 826 HA LEU 104 HA LEU 104 7.082 -8.326 -6.386 827 HB2 LEU 104 HB1 LEU 104 5.112 -6.290 -7.474 828 HB3 LEU 104 HB2 LEU 104 6.008 -7.452 -8.431 829 HG LEU 104 HG LEU 104 3.749 -7.964 -6.458 830 HD11 LEU 104 HD11 LEU 104 3.082 -7.144 -8.680 831 HD12 LEU 104 HD12 LEU 104 2.577 -8.826 -8.451 832 HD13 LEU 104 HD13 LEU 104 3.995 -8.458 -9.456 833 HD21 LEU 104 HD21 LEU 104 3.890 -10.375 -7.081 834 HD22 LEU 104 HD22 LEU 104 5.317 -9.838 -6.191 835 HD23 LEU 104 HD23 LEU 104 5.407 -10.050 -7.953 836 H PHE 105 H PHE 105 9.137 -7.641 -6.272 837 HA PHE 105 HA PHE 105 9.765 -4.739 -6.395 838 HB2 PHE 105 HB1 PHE 105 11.380 -7.187 -5.701 839 HB3 PHE 105 HB2 PHE 105 12.068 -5.573 -5.797 840 HD1 PHE 105 HD2 PHE 105 11.271 -3.799 -4.126 841 HD2 PHE 105 HD1 PHE 105 10.158 -7.958 -3.743 842 HE1 PHE 105 HE2 PHE 105 10.758 -3.453 -1.746 843 HE2 PHE 105 HE1 PHE 105 9.600 -7.565 -1.373 844 HZ PHE 105 HZ PHE 105 9.944 -5.335 -0.352 845 H ALA 106 H ALA 106 11.554 -4.017 -7.738 846 HA ALA 106 HA ALA 106 11.270 -4.709 -10.469 847 HB1 ALA 106 HB1 ALA 106 12.143 -2.535 -9.678 848 HB2 ALA 106 HB2 ALA 106 13.612 -3.349 -9.067 849 HB3 ALA 106 HB3 ALA 106 13.277 -3.312 -10.807 850 H GLY 107 H GLY 107 11.748 -6.581 -11.404 851 HA2 GLY 107 HA3 GLY 107 13.161 -8.164 -12.367 852 HA3 GLY 107 HA2 GLY 107 14.481 -7.643 -11.296 853 H GLY 108 H GLY 108 15.130 -9.401 -10.285 854 HA2 GLY 108 HA3 GLY 108 13.405 -11.690 -9.944 855 HA3 GLY 108 HA2 GLY 108 15.148 -11.596 -9.598 856 H LYS 109 H LYS 109 12.440 -9.734 -8.067 857 HA LYS 109 HA LYS 109 12.944 -11.225 -5.524 858 HB2 LYS 109 HB1 LYS 109 13.241 -8.278 -6.043 859 HB3 LYS 109 HB2 LYS 109 12.654 -8.819 -4.453 860 HG2 LYS 109 HG1 LYS 109 14.647 -10.074 -4.039 861 HG3 LYS 109 HG2 LYS 109 15.205 -9.860 -5.710 862 HD2 LYS 109 HD1 LYS 109 15.379 -7.404 -5.319 863 HD3 LYS 109 HD2 LYS 109 14.818 -7.638 -3.647 864 HE2 LYS 109 HE1 LYS 109 16.797 -9.071 -3.200 865 HE3 LYS 109 HE2 LYS 109 17.337 -8.858 -4.879 866 HZ1 LYS 109 HZ1 LYS 109 17.065 -6.708 -2.846 867 HZ2 LYS 109 HZ2 LYS 109 17.545 -6.470 -4.390 868 HZ3 LYS 109 HZ3 LYS 109 18.479 -7.353 -3.366 869 H VAL 110 H VAL 110 11.172 -12.009 -4.768 870 HA VAL 110 HA VAL 110 8.733 -10.367 -4.588 871 HB VAL 110 HB VAL 110 8.732 -13.286 -5.472 872 HG11 VAL 110 HG11 VAL 110 6.372 -11.499 -4.724 873 HG12 VAL 110 HG12 VAL 110 6.236 -13.074 -5.529 874 HG13 VAL 110 HG13 VAL 110 6.892 -12.983 -3.896 875 HG21 VAL 110 HG21 VAL 110 7.475 -12.427 -7.453 876 HG22 VAL 110 HG22 VAL 110 7.738 -10.767 -6.877 877 HG23 VAL 110 HG23 VAL 110 9.114 -11.782 -7.365 878 H LEU 111 H LEU 111 7.744 -10.583 -2.582 879 HA LEU 111 HA LEU 111 8.687 -12.513 -0.577 880 HB2 LEU 111 HB1 LEU 111 10.575 -10.979 -0.727 881 HB3 LEU 111 HB2 LEU 111 9.476 -9.581 -0.607 882 HG LEU 111 HG LEU 111 8.975 -10.194 1.740 883 HD11 LEU 111 HD11 LEU 111 10.435 -11.846 2.891 884 HD12 LEU 111 HD12 LEU 111 11.132 -12.322 1.325 885 HD13 LEU 111 HD13 LEU 111 9.415 -12.626 1.675 886 HD21 LEU 111 HD21 LEU 111 11.153 -9.439 2.604 887 HD22 LEU 111 HD22 LEU 111 10.740 -8.571 1.111 888 HD23 LEU 111 HD23 LEU 111 11.935 -9.881 1.068 889 H LYS 112 H LYS 112 7.123 -12.795 0.999 890 HA LYS 112 HA LYS 112 4.861 -10.919 0.898 891 HB2 LYS 112 HB1 LYS 112 3.534 -12.638 1.985 892 HB3 LYS 112 HB2 LYS 112 4.245 -13.146 0.441 893 HG2 LYS 112 HG1 LYS 112 6.004 -14.381 1.721 894 HG3 LYS 112 HG2 LYS 112 5.186 -13.954 3.231 895 HD2 LYS 112 HD1 LYS 112 3.837 -15.433 0.927 896 HD3 LYS 112 HD2 LYS 112 4.628 -16.254 2.293 897 HE2 LYS 112 HE1 LYS 112 3.071 -15.291 3.865 898 HE3 LYS 112 HE2 LYS 112 2.366 -14.234 2.619 899 HZ1 LYS 112 HZ1 LYS 112 1.322 -16.013 1.614 900 HZ2 LYS 112 HZ2 LYS 112 1.059 -16.222 3.139 901 HZ3 LYS 112 HZ3 LYS 112 2.200 -17.190 2.445 902 H VAL 113 H VAL 113 3.769 -10.120 2.504 903 HA VAL 113 HA VAL 113 4.893 -9.924 5.270 904 HB VAL 113 HB VAL 113 3.536 -7.739 3.655 905 HG11 VAL 113 HG11 VAL 113 4.329 -6.188 5.502 906 HG12 VAL 113 HG12 VAL 113 3.046 -7.281 5.970 907 HG13 VAL 113 HG13 VAL 113 4.720 -7.635 6.460 908 HG21 VAL 113 HG21 VAL 113 5.929 -8.130 2.904 909 HG22 VAL 113 HG22 VAL 113 5.739 -6.556 3.678 910 HG23 VAL 113 HG23 VAL 113 6.464 -7.909 4.574 911 H VAL 114 H VAL 114 3.061 -9.112 6.708 912 HA VAL 114 HA VAL 114 0.366 -10.039 6.061 913 HB VAL 114 HB VAL 114 1.731 -11.261 8.499 914 HG11 VAL 114 HG11 VAL 114 -0.717 -11.009 8.720 915 HG12 VAL 114 HG12 VAL 114 -0.965 -11.794 7.144 916 HG13 VAL 114 HG13 VAL 114 -0.315 -12.712 8.518 917 HG21 VAL 114 HG21 VAL 114 2.758 -12.356 6.574 918 HG22 VAL 114 HG22 VAL 114 1.611 -13.459 7.327 919 HG23 VAL 114 HG23 VAL 114 1.167 -12.620 5.828 920 H LEU 115 H LEU 115 -1.180 -8.956 7.329 921 HA LEU 115 HA LEU 115 -0.389 -7.264 9.567 922 HB2 LEU 115 HB1 LEU 115 -0.924 -5.173 8.470 923 HB3 LEU 115 HB2 LEU 115 0.599 -5.895 7.995 924 HG LEU 115 HG LEU 115 -0.666 -4.636 6.265 925 HD11 LEU 115 HD11 LEU 115 1.044 -6.240 5.570 926 HD12 LEU 115 HD12 LEU 115 -0.278 -6.060 4.405 927 HD13 LEU 115 HD13 LEU 115 -0.201 -7.507 5.417 928 HD21 LEU 115 HD21 LEU 115 -2.928 -5.454 6.926 929 HD22 LEU 115 HD22 LEU 115 -2.548 -6.989 6.148 930 HD23 LEU 115 HD23 LEU 115 -2.584 -5.505 5.177 931 HA PRO 116 HA PRO 116 -4.641 -7.474 10.549 932 HB2 PRO 116 HB1 PRO 116 -5.058 -5.315 12.168 933 HB3 PRO 116 HB2 PRO 116 -4.057 -6.729 12.624 934 HG2 PRO 116 HG1 PRO 116 -3.117 -4.095 11.443 935 HG3 PRO 116 HG2 PRO 116 -2.472 -4.941 12.897 936 HD2 PRO 116 HD1 PRO 116 -1.267 -5.210 10.503 937 HD3 PRO 116 HD2 PRO 116 -1.452 -6.613 11.596 938 H VAL 117 H VAL 117 -6.771 -6.684 10.259 939 HA VAL 117 HA VAL 117 -7.132 -4.419 8.329 940 HB VAL 117 HB VAL 117 -9.056 -6.572 9.273 941 HG11 VAL 117 HG11 VAL 117 -10.368 -5.869 7.203 942 HG12 VAL 117 HG12 VAL 117 -10.317 -4.652 8.469 943 HG13 VAL 117 HG13 VAL 117 -9.269 -4.482 7.041 944 HG21 VAL 117 HG21 VAL 117 -8.743 -7.568 7.017 945 HG22 VAL 117 HG22 VAL 117 -7.468 -6.383 6.678 946 HG23 VAL 117 HG23 VAL 117 -7.254 -7.596 7.960 947 H GLU 118 H GLU 118 -8.026 -2.533 8.932 948 HA GLU 118 HA GLU 118 -9.179 -2.131 11.645 949 HB2 GLU 118 HB1 GLU 118 -8.692 0.126 11.499 950 HB3 GLU 118 HB2 GLU 118 -7.262 -0.657 10.820 951 HG2 GLU 118 HG1 GLU 118 -8.188 -0.185 8.528 952 HG3 GLU 118 HG2 GLU 118 -9.508 0.730 9.273 953 H ALA 119 H ALA 119 -10.940 -0.033 11.298 954 HA ALA 119 HA ALA 119 -12.373 -0.445 8.755 955 HB1 ALA 119 HB1 ALA 119 -13.775 -0.226 11.437 956 HB2 ALA 119 HB2 ALA 119 -14.553 0.121 9.880 957 HB3 ALA 119 HB3 ALA 119 -13.944 -1.502 10.195 958 H ARG 120 H ARG 120 -11.885 1.367 7.657 959 HA ARG 120 HA ARG 120 -13.028 3.874 8.705 960 HB2 ARG 120 HB1 ARG 120 -10.333 3.563 7.322 961 HB3 ARG 120 HB2 ARG 120 -11.228 5.108 7.484 962 HG2 ARG 120 HG1 ARG 120 -11.177 4.797 9.967 963 HG3 ARG 120 HG2 ARG 120 -10.079 3.435 9.752 964 HD2 ARG 120 HD1 ARG 120 -9.522 6.181 8.553 965 HD3 ARG 120 HD2 ARG 120 -9.058 5.741 10.222 966 HE ARG 120 HE ARG 120 -7.788 3.838 9.171 967 HH11 ARG 120 HH12 ARG 120 -7.988 6.908 7.459 968 HH12 ARG 120 HH11 ARG 120 -6.566 6.530 6.504 969 HH21 ARG 120 HH22 ARG 120 -6.267 3.420 7.860 970 HH22 ARG 120 HH21 ARG 120 -5.624 4.535 6.669 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 2.567 -6.832 14.376 2 H2 GLY 1 2H GLY 1 2.593 -7.601 15.845 3 H3 GLY 1 3H GLY 1 3.793 -7.835 14.701 4 HA2 GLY 1 HA3 GLY 1 4.609 -6.395 16.425 5 HA3 GLY 1 HA2 GLY 1 4.507 -5.592 14.842 6 H SER 2 H SER 2 2.400 -4.432 14.418 7 HA SER 2 HA SER 2 0.777 -2.877 14.987 8 HB2 SER 2 HB1 SER 2 0.442 -1.805 17.075 9 HB3 SER 2 HB2 SER 2 0.388 -3.564 17.287 10 HG SER 2 HG SER 2 2.458 -3.469 18.152 11 H PHE 3 H PHE 3 3.164 -1.320 17.047 12 HA PHE 3 HA PHE 3 3.510 0.812 15.154 13 HB2 PHE 3 HB1 PHE 3 4.851 0.008 17.736 14 HB3 PHE 3 HB2 PHE 3 5.431 1.385 16.781 15 HD1 PHE 3 HD2 PHE 3 2.091 0.087 18.099 16 HD2 PHE 3 HD1 PHE 3 4.689 3.477 17.436 17 HE1 PHE 3 HE2 PHE 3 0.440 1.571 19.176 18 HE2 PHE 3 HE1 PHE 3 3.021 4.953 18.518 19 HZ PHE 3 HZ PHE 3 0.894 4.006 19.392 20 H THR 4 H THR 4 4.649 0.794 13.398 21 HA THR 4 HA THR 4 6.481 0.773 12.010 22 HB THR 4 HB THR 4 7.912 -1.465 13.435 23 HG1 THR 4 HG1 THR 4 7.621 -0.137 15.054 24 HG21 THR 4 HG21 THR 4 8.794 -0.585 11.284 25 HG22 THR 4 HG22 THR 4 9.883 -0.239 12.634 26 HG23 THR 4 HG23 THR 4 8.850 1.053 11.980 27 H GLU 5 H GLU 5 4.067 -0.501 11.646 28 HA GLU 5 HA GLU 5 4.629 -2.855 9.988 29 HB2 GLU 5 HB1 GLU 5 4.120 -3.285 12.572 30 HB3 GLU 5 HB2 GLU 5 2.452 -3.131 12.027 31 HG2 GLU 5 HG1 GLU 5 2.740 -4.986 10.465 32 HG3 GLU 5 HG2 GLU 5 4.501 -4.998 10.734 33 H GLY 6 H GLY 6 1.853 -3.580 9.606 34 HA2 GLY 6 HA3 GLY 6 0.788 -1.106 8.354 35 HA3 GLY 6 HA2 GLY 6 0.908 -2.619 7.428 36 H TRP 7 H TRP 7 -1.349 -1.487 7.336 37 HA TRP 7 HA TRP 7 -3.111 -3.487 8.411 38 HB2 TRP 7 HB1 TRP 7 -4.763 -2.102 9.358 39 HB3 TRP 7 HB2 TRP 7 -3.249 -1.667 10.141 40 HD1 TRP 7 HD TRP 7 -6.055 -0.287 8.048 41 HE1 TRP 7 HE1 TRP 7 -5.879 2.259 7.881 42 HE3 TRP 7 3HE TRP 7 -1.343 0.295 9.941 43 HZ2 TRP 7 HZ2 TRP 7 -3.878 4.291 8.381 44 HZ3 TRP 7 HZ3 TRP 7 -0.316 2.549 10.083 45 HH2 TRP 7 HH TRP 7 -1.577 4.551 9.339 46 H VAL 8 H VAL 8 -4.807 -3.903 6.984 47 HA VAL 8 HA VAL 8 -4.825 -2.364 4.414 48 HB VAL 8 HB VAL 8 -6.121 -5.011 5.047 49 HG11 VAL 8 HG11 VAL 8 -6.389 -5.232 2.592 50 HG12 VAL 8 HG12 VAL 8 -7.325 -3.876 3.217 51 HG13 VAL 8 HG13 VAL 8 -5.783 -3.578 2.379 52 HG21 VAL 8 HG21 VAL 8 -3.505 -4.287 3.703 53 HG22 VAL 8 HG22 VAL 8 -3.786 -5.378 5.081 54 HG23 VAL 8 HG23 VAL 8 -4.292 -5.849 3.460 55 H ARG 9 H ARG 9 -6.638 -1.324 3.590 56 HA ARG 9 HA ARG 9 -8.252 -0.116 5.636 57 HB2 ARG 9 HB1 ARG 9 -7.293 0.934 3.485 58 HB3 ARG 9 HB2 ARG 9 -8.654 0.190 2.634 59 HG2 ARG 9 HG1 ARG 9 -10.068 1.279 4.578 60 HG3 ARG 9 HG2 ARG 9 -8.629 2.297 4.773 61 HD2 ARG 9 HD1 ARG 9 -10.406 2.066 2.322 62 HD3 ARG 9 HD2 ARG 9 -10.321 3.442 3.438 63 HE ARG 9 HE ARG 9 -8.543 2.811 1.239 64 HH11 ARG 9 HH12 ARG 9 -8.638 4.628 4.357 65 HH12 ARG 9 HH11 ARG 9 -7.197 5.485 3.926 66 HH21 ARG 9 HH22 ARG 9 -6.702 4.019 0.840 67 HH22 ARG 9 HH21 ARG 9 -6.160 5.154 2.052 68 H PHE 10 H PHE 10 -10.036 -1.026 6.511 69 HA PHE 10 HA PHE 10 -11.958 -2.672 5.050 70 HB2 PHE 10 HB1 PHE 10 -11.982 -2.850 7.433 71 HB3 PHE 10 HB2 PHE 10 -12.034 -1.084 7.633 72 HD1 PHE 10 HD2 PHE 10 -14.057 -4.071 6.723 73 HD2 PHE 10 HD1 PHE 10 -14.059 0.176 7.441 74 HE1 PHE 10 HE2 PHE 10 -16.531 -4.061 6.717 75 HE2 PHE 10 HE1 PHE 10 -16.536 0.201 7.328 76 HZ PHE 10 HZ PHE 10 -17.786 -1.936 6.999 77 H SER 11 H SER 11 -13.605 -1.990 3.713 78 HA SER 11 HA SER 11 -15.093 0.351 4.320 79 HB2 SER 11 HB1 SER 11 -13.117 0.410 2.075 80 HB3 SER 11 HB2 SER 11 -14.743 1.002 1.710 81 HG SER 11 HG SER 11 -13.116 1.770 3.918 82 HA PRO 12 HA PRO 12 -17.999 -2.446 2.431 83 HB2 PRO 12 HB1 PRO 12 -20.259 -0.996 2.421 84 HB3 PRO 12 HB2 PRO 12 -19.383 -1.296 3.953 85 HG2 PRO 12 HG1 PRO 12 -19.108 1.133 2.134 86 HG3 PRO 12 HG2 PRO 12 -19.542 1.135 3.881 87 HD2 PRO 12 HD1 PRO 12 -16.964 1.464 3.048 88 HD3 PRO 12 HD2 PRO 12 -17.352 0.501 4.506 89 H GLY 13 H GLY 13 -16.277 -1.691 0.561 90 HA2 GLY 13 HA3 GLY 13 -17.885 -1.109 -1.881 91 HA3 GLY 13 HA2 GLY 13 -16.286 -0.369 -1.644 92 HA PRO 14 HA PRO 14 -15.866 -4.744 -3.570 93 HB2 PRO 14 HB1 PRO 14 -15.768 -4.177 -6.241 94 HB3 PRO 14 HB2 PRO 14 -17.298 -4.519 -5.386 95 HG2 PRO 14 HG1 PRO 14 -16.102 -1.818 -6.059 96 HG3 PRO 14 HG2 PRO 14 -17.791 -2.379 -6.331 97 HD2 PRO 14 HD1 PRO 14 -17.081 -0.878 -4.154 98 HD3 PRO 14 HD2 PRO 14 -18.312 -2.169 -4.040 99 H ASN 15 H ASN 15 -14.488 -1.541 -3.992 100 HA ASN 15 HA ASN 15 -11.798 -2.668 -4.275 101 HB2 ASN 15 HB1 ASN 15 -11.176 -0.448 -5.024 102 HB3 ASN 15 HB2 ASN 15 -12.506 -1.026 -6.013 103 HD21 ASN 15 HD21 ASN 15 -14.582 0.099 -5.840 104 HD22 ASN 15 HD22 ASN 15 -14.690 1.615 -4.947 105 H ALA 16 H ALA 16 -10.171 -1.643 -3.077 106 HA ALA 16 HA ALA 16 -10.642 -0.249 -0.558 107 HB1 ALA 16 HB1 ALA 16 -9.708 -2.099 0.814 108 HB2 ALA 16 HB2 ALA 16 -11.219 -2.552 0.030 109 HB3 ALA 16 HB3 ALA 16 -9.675 -3.142 -0.628 110 H ALA 17 H ALA 17 -8.199 -0.692 0.626 111 HA ALA 17 HA ALA 17 -6.050 -0.229 -1.296 112 HB1 ALA 17 HB1 ALA 17 -5.370 1.915 -0.240 113 HB2 ALA 17 HB2 ALA 17 -6.977 2.057 -0.997 114 HB3 ALA 17 HB3 ALA 17 -6.812 1.867 0.776 115 H ALA 18 H ALA 18 -3.899 -0.364 -0.121 116 HA ALA 18 HA ALA 18 -4.089 -1.354 2.705 117 HB1 ALA 18 HB1 ALA 18 -3.708 -3.261 1.187 118 HB2 ALA 18 HB2 ALA 18 -2.271 -2.446 0.523 119 HB3 ALA 18 HB3 ALA 18 -2.295 -2.951 2.217 120 H TYR 19 H TYR 19 -2.730 -0.596 4.156 121 HA TYR 19 HA TYR 19 -0.456 1.185 3.380 122 HB2 TYR 19 HB1 TYR 19 -2.211 1.095 5.863 123 HB3 TYR 19 HB2 TYR 19 -0.835 2.175 5.645 124 HD1 TYR 19 HD1 TYR 19 -1.037 3.599 3.282 125 HD2 TYR 19 HD2 TYR 19 -4.300 2.060 5.633 126 HE1 TYR 19 HE1 TYR 19 -2.480 5.455 2.486 127 HE2 TYR 19 HE2 TYR 19 -5.726 3.945 4.909 128 HH TYR 19 HH TYR 19 -4.362 6.676 3.009 129 H LEU 20 H LEU 20 1.575 0.666 4.327 130 HA LEU 20 HA LEU 20 1.905 -0.999 6.521 131 HB2 LEU 20 HB1 LEU 20 2.852 -3.042 5.733 132 HB3 LEU 20 HB2 LEU 20 1.163 -2.891 5.240 133 HG LEU 20 HG LEU 20 2.275 -4.072 3.621 134 HD11 LEU 20 HD11 LEU 20 0.620 -2.422 2.794 135 HD12 LEU 20 HD12 LEU 20 1.841 -2.887 1.601 136 HD13 LEU 20 HD13 LEU 20 1.962 -1.318 2.411 137 HD21 LEU 20 HD21 LEU 20 4.323 -1.885 3.177 138 HD22 LEU 20 HD22 LEU 20 4.220 -3.465 2.398 139 HD23 LEU 20 HD23 LEU 20 4.606 -3.361 4.124 140 H THR 21 H THR 21 3.866 -1.238 7.370 141 HA THR 21 HA THR 21 5.914 0.602 6.370 142 HB THR 21 HB THR 21 5.959 -1.208 8.799 143 HG1 THR 21 HG1 THR 21 4.298 0.296 8.995 144 HG21 THR 21 HG21 THR 21 8.208 -0.463 8.229 145 HG22 THR 21 HG22 THR 21 7.623 0.523 9.579 146 HG23 THR 21 HG23 THR 21 7.635 1.200 7.941 147 H LEU 22 H LEU 22 7.613 0.088 5.188 148 HA LEU 22 HA LEU 22 8.466 -2.745 4.890 149 HB2 LEU 22 HB1 LEU 22 7.418 -1.722 2.853 150 HB3 LEU 22 HB2 LEU 22 8.646 -0.437 2.892 151 HG LEU 22 HG LEU 22 10.420 -2.078 2.475 152 HD11 LEU 22 HD11 LEU 22 9.585 -4.111 3.482 153 HD12 LEU 22 HD12 LEU 22 9.767 -4.415 1.756 154 HD13 LEU 22 HD13 LEU 22 8.152 -4.111 2.442 155 HD21 LEU 22 HD21 LEU 22 9.831 -2.570 0.147 156 HD22 LEU 22 HD22 LEU 22 9.335 -0.935 0.600 157 HD23 LEU 22 HD23 LEU 22 8.121 -2.221 0.491 158 H GLU 23 H GLU 23 10.641 -3.158 5.046 159 HA GLU 23 HA GLU 23 12.542 -0.917 5.324 160 HB2 GLU 23 HB1 GLU 23 13.731 -1.950 7.084 161 HB3 GLU 23 HB2 GLU 23 12.027 -1.805 7.563 162 HG2 GLU 23 HG1 GLU 23 11.786 -4.273 6.932 163 HG3 GLU 23 HG2 GLU 23 13.557 -4.321 6.824 164 H ASN 24 H ASN 24 14.563 -1.279 4.542 165 HA ASN 24 HA ASN 24 14.978 -3.727 2.856 166 HB2 ASN 24 HB1 ASN 24 15.071 -1.500 1.742 167 HB3 ASN 24 HB2 ASN 24 16.428 -1.057 2.789 168 HD21 ASN 24 HD21 ASN 24 17.171 -0.890 0.335 169 HD22 ASN 24 HD22 ASN 24 18.076 -2.314 -0.206 170 HA PRO 25 HA PRO 25 17.874 -4.384 6.370 171 HB2 PRO 25 HB1 PRO 25 17.977 -7.114 6.301 172 HB3 PRO 25 HB2 PRO 25 16.583 -6.232 6.996 173 HG2 PRO 25 HG1 PRO 25 16.851 -7.344 4.182 174 HG3 PRO 25 HG2 PRO 25 15.503 -7.613 5.343 175 HD2 PRO 25 HD1 PRO 25 15.371 -5.697 3.410 176 HD3 PRO 25 HD2 PRO 25 14.705 -5.407 5.043 177 H GLY 26 H GLY 26 18.168 -4.855 2.956 178 HA2 GLY 26 HA3 GLY 26 20.761 -6.173 3.020 179 HA3 GLY 26 HA2 GLY 26 19.841 -5.623 1.600 180 H ASP 27 H ASP 27 22.326 -5.222 1.430 181 HA ASP 27 HA ASP 27 23.219 -2.561 2.295 182 HB2 ASP 27 HB1 ASP 27 24.462 -5.088 1.132 183 HB3 ASP 27 HB2 ASP 27 25.354 -3.607 1.490 184 H LEU 28 H LEU 28 21.595 -3.863 -0.221 185 HA LEU 28 HA LEU 28 22.454 -1.829 -2.188 186 HB2 LEU 28 HB1 LEU 28 22.016 -3.398 -3.985 187 HB3 LEU 28 HB2 LEU 28 23.241 -4.007 -2.825 188 HG LEU 28 HG LEU 28 21.245 -5.366 -1.821 189 HD11 LEU 28 HD11 LEU 28 19.589 -6.092 -3.552 190 HD12 LEU 28 HD12 LEU 28 20.175 -4.812 -4.633 191 HD13 LEU 28 HD13 LEU 28 19.370 -4.406 -3.104 192 HD21 LEU 28 HD21 LEU 28 21.722 -7.210 -3.394 193 HD22 LEU 28 HD22 LEU 28 23.200 -6.344 -2.956 194 HD23 LEU 28 HD23 LEU 28 22.443 -6.058 -4.539 195 HA PRO 29 HA PRO 29 18.405 -0.447 -1.722 196 HB2 PRO 29 HB1 PRO 29 17.749 0.835 -4.028 197 HB3 PRO 29 HB2 PRO 29 19.107 1.358 -2.986 198 HG2 PRO 29 HG1 PRO 29 19.221 -0.346 -5.480 199 HG3 PRO 29 HG2 PRO 29 20.266 1.051 -5.040 200 HD2 PRO 29 HD1 PRO 29 20.976 -1.594 -4.648 201 HD3 PRO 29 HD2 PRO 29 21.560 -0.294 -3.590 202 H LEU 30 H LEU 30 16.174 -0.721 -2.048 203 HA LEU 30 HA LEU 30 15.320 -2.911 -3.902 204 HB2 LEU 30 HB1 LEU 30 14.147 -1.919 -1.285 205 HB3 LEU 30 HB2 LEU 30 13.187 -2.878 -2.417 206 HG LEU 30 HG LEU 30 15.851 -3.797 -1.404 207 HD11 LEU 30 HD11 LEU 30 14.680 -5.058 0.383 208 HD12 LEU 30 HD12 LEU 30 13.108 -4.467 -0.201 209 HD13 LEU 30 HD13 LEU 30 14.258 -3.346 0.534 210 HD21 LEU 30 HD21 LEU 30 13.498 -5.405 -2.436 211 HD22 LEU 30 HD22 LEU 30 15.048 -6.049 -1.866 212 HD23 LEU 30 HD23 LEU 30 14.996 -5.057 -3.335 213 H ARG 31 H ARG 31 13.620 -2.648 -5.054 214 HA ARG 31 HA ARG 31 12.296 0.025 -5.310 215 HB2 ARG 31 HB1 ARG 31 14.173 -0.170 -7.022 216 HB3 ARG 31 HB2 ARG 31 13.201 -1.444 -7.797 217 HG2 ARG 31 HG1 ARG 31 11.384 0.104 -8.196 218 HG3 ARG 31 HG2 ARG 31 12.144 1.361 -7.197 219 HD2 ARG 31 HD1 ARG 31 13.313 0.299 -9.799 220 HD3 ARG 31 HD2 ARG 31 12.322 1.775 -9.649 221 HE ARG 31 HE ARG 31 14.107 2.607 -8.044 222 HH11 ARG 31 HH12 ARG 31 15.058 0.646 -10.823 223 HH12 ARG 31 HH11 ARG 31 16.738 1.080 -10.604 224 HH21 ARG 31 HH22 ARG 31 16.160 2.935 -7.717 225 HH22 ARG 31 HH21 ARG 31 17.377 2.369 -8.833 226 H LEU 32 H LEU 32 10.246 -0.285 -5.032 227 HA LEU 32 HA LEU 32 8.984 -2.944 -5.340 228 HB2 LEU 32 HB1 LEU 32 9.007 -1.850 -3.198 229 HB3 LEU 32 HB2 LEU 32 8.320 -0.363 -3.849 230 HG LEU 32 HG LEU 32 6.828 -1.780 -2.464 231 HD11 LEU 32 HD11 LEU 32 5.591 -1.539 -5.217 232 HD12 LEU 32 HD12 LEU 32 5.998 -0.116 -4.229 233 HD13 LEU 32 HD13 LEU 32 4.853 -1.306 -3.630 234 HD21 LEU 32 HD21 LEU 32 7.647 -3.969 -3.366 235 HD22 LEU 32 HD22 LEU 32 6.732 -3.649 -4.847 236 HD23 LEU 32 HD23 LEU 32 5.874 -3.829 -3.307 237 H VAL 33 H VAL 33 8.076 -3.281 -7.224 238 HA VAL 33 HA VAL 33 7.040 -0.972 -8.848 239 HB VAL 33 HB VAL 33 7.463 -2.305 -10.828 240 HG11 VAL 33 HG11 VAL 33 9.931 -2.370 -9.029 241 HG12 VAL 33 HG12 VAL 33 9.906 -2.391 -10.800 242 HG13 VAL 33 HG13 VAL 33 9.358 -0.959 -9.931 243 HG21 VAL 33 HG21 VAL 33 8.608 -4.492 -9.032 244 HG22 VAL 33 HG22 VAL 33 7.080 -4.613 -9.936 245 HG23 VAL 33 HG23 VAL 33 8.611 -4.463 -10.800 246 H GLY 34 H GLY 34 6.071 -3.850 -7.169 247 HA2 GLY 34 HA3 GLY 34 3.301 -3.677 -8.046 248 HA3 GLY 34 HA2 GLY 34 4.152 -5.157 -8.541 249 H ALA 35 H ALA 35 2.199 -5.907 -7.212 250 HA ALA 35 HA ALA 35 3.174 -6.921 -4.697 251 HB1 ALA 35 HB1 ALA 35 0.995 -4.817 -4.733 252 HB2 ALA 35 HB2 ALA 35 1.082 -6.021 -3.428 253 HB3 ALA 35 HB3 ALA 35 2.446 -4.967 -3.712 254 H ARG 36 H ARG 36 1.245 -8.070 -3.576 255 HA ARG 36 HA ARG 36 -0.851 -9.211 -5.269 256 HB2 ARG 36 HB1 ARG 36 1.655 -10.590 -4.810 257 HB3 ARG 36 HB2 ARG 36 0.354 -11.455 -3.968 258 HG2 ARG 36 HG1 ARG 36 -0.837 -11.745 -6.121 259 HG3 ARG 36 HG2 ARG 36 0.497 -10.894 -6.949 260 HD2 ARG 36 HD1 ARG 36 2.126 -12.480 -5.964 261 HD3 ARG 36 HD2 ARG 36 0.819 -13.340 -5.130 262 HE ARG 36 HE ARG 36 0.257 -13.399 -7.901 263 HH11 ARG 36 HH12 ARG 36 2.717 -14.534 -5.645 264 HH12 ARG 36 HH11 ARG 36 3.226 -15.855 -6.652 265 HH21 ARG 36 HH22 ARG 36 0.842 -15.243 -9.142 266 HH22 ARG 36 HH21 ARG 36 2.117 -16.291 -8.588 267 H THR 37 H THR 37 -2.318 -10.515 -3.814 268 HA THR 37 HA THR 37 -1.989 -10.614 -0.961 269 HB THR 37 HB THR 37 -2.388 -8.284 -0.889 270 HG1 THR 37 HG1 THR 37 -3.542 -9.132 0.602 271 HG21 THR 37 HG21 THR 37 -3.340 -7.830 -3.142 272 HG22 THR 37 HG22 THR 37 -4.411 -7.224 -1.874 273 HG23 THR 37 HG23 THR 37 -4.808 -8.741 -2.701 274 HA PRO 38 HA PRO 38 -4.937 -13.706 -2.066 275 HB2 PRO 38 HB1 PRO 38 -6.068 -14.433 0.320 276 HB3 PRO 38 HB2 PRO 38 -4.381 -14.813 -0.177 277 HG2 PRO 38 HG1 PRO 38 -5.316 -12.625 1.654 278 HG3 PRO 38 HG2 PRO 38 -3.919 -13.739 1.864 279 HD2 PRO 38 HD1 PRO 38 -3.726 -11.168 0.859 280 HD3 PRO 38 HD2 PRO 38 -2.589 -12.443 0.390 281 H VAL 39 H VAL 39 -5.913 -10.732 -0.641 282 HA VAL 39 HA VAL 39 -8.805 -11.225 -1.267 283 HB VAL 39 HB VAL 39 -9.350 -9.502 0.365 284 HG11 VAL 39 HG11 VAL 39 -8.759 -10.719 2.376 285 HG12 VAL 39 HG12 VAL 39 -9.199 -11.849 1.076 286 HG13 VAL 39 HG13 VAL 39 -7.495 -11.618 1.530 287 HG21 VAL 39 HG21 VAL 39 -6.398 -9.441 1.099 288 HG22 VAL 39 HG22 VAL 39 -7.183 -8.147 0.180 289 HG23 VAL 39 HG23 VAL 39 -7.714 -8.485 1.826 290 H ALA 40 H ALA 40 -7.125 -10.575 -3.375 291 HA ALA 40 HA ALA 40 -8.865 -8.509 -4.474 292 HB1 ALA 40 HB1 ALA 40 -5.851 -8.074 -4.672 293 HB2 ALA 40 HB2 ALA 40 -7.139 -7.043 -5.311 294 HB3 ALA 40 HB3 ALA 40 -6.914 -7.172 -3.563 295 H GLU 41 H GLU 41 -8.498 -8.303 -6.802 296 HA GLU 41 HA GLU 41 -7.274 -10.691 -8.132 297 HB2 GLU 41 HB1 GLU 41 -9.808 -10.358 -8.338 298 HB3 GLU 41 HB2 GLU 41 -9.475 -8.929 -9.302 299 HG2 GLU 41 HG1 GLU 41 -8.547 -11.778 -9.903 300 HG3 GLU 41 HG2 GLU 41 -9.910 -10.947 -10.685 301 H ARG 42 H ARG 42 -8.148 -7.244 -8.738 302 HA ARG 42 HA ARG 42 -5.488 -6.721 -9.940 303 HB2 ARG 42 HB1 ARG 42 -7.900 -4.939 -9.506 304 HB3 ARG 42 HB2 ARG 42 -6.355 -4.392 -10.190 305 HG2 ARG 42 HG1 ARG 42 -8.239 -6.431 -11.417 306 HG3 ARG 42 HG2 ARG 42 -8.022 -4.723 -11.905 307 HD2 ARG 42 HD1 ARG 42 -6.752 -5.800 -13.490 308 HD3 ARG 42 HD2 ARG 42 -5.533 -5.405 -12.282 309 HE ARG 42 HE ARG 42 -6.865 -8.052 -12.047 310 HH11 ARG 42 HH12 ARG 42 -4.007 -6.427 -13.332 311 HH12 ARG 42 HH11 ARG 42 -3.213 -7.950 -13.669 312 HH21 ARG 42 HH22 ARG 42 -5.775 -9.902 -12.357 313 HH22 ARG 42 HH21 ARG 42 -4.226 -9.921 -13.156 314 H VAL 43 H VAL 43 -3.980 -6.210 -8.741 315 HA VAL 43 HA VAL 43 -4.350 -4.363 -6.436 316 HB VAL 43 HB VAL 43 -2.768 -6.327 -6.062 317 HG11 VAL 43 HG11 VAL 43 -0.458 -6.084 -6.848 318 HG12 VAL 43 HG12 VAL 43 -1.565 -6.327 -8.213 319 HG13 VAL 43 HG13 VAL 43 -0.891 -4.716 -7.857 320 HG21 VAL 43 HG21 VAL 43 -1.506 -3.592 -5.640 321 HG22 VAL 43 HG22 VAL 43 -2.846 -4.248 -4.667 322 HG23 VAL 43 HG23 VAL 43 -1.287 -5.071 -4.687 323 H GLU 44 H GLU 44 -3.143 -2.363 -6.594 324 HA GLU 44 HA GLU 44 -1.999 -1.436 -9.139 325 HB2 GLU 44 HB1 GLU 44 -4.734 -1.100 -8.515 326 HB3 GLU 44 HB2 GLU 44 -4.007 0.445 -8.071 327 HG2 GLU 44 HG1 GLU 44 -3.332 -0.742 -10.758 328 HG3 GLU 44 HG2 GLU 44 -4.949 -0.020 -10.505 329 H LEU 45 H LEU 45 -0.951 0.807 -8.700 330 HA LEU 45 HA LEU 45 -0.064 0.887 -5.827 331 HB2 LEU 45 HB1 LEU 45 1.595 -0.376 -7.044 332 HB3 LEU 45 HB2 LEU 45 1.698 0.888 -8.295 333 HG LEU 45 HG LEU 45 2.575 2.474 -6.574 334 HD11 LEU 45 HD11 LEU 45 1.631 1.465 -4.514 335 HD12 LEU 45 HD12 LEU 45 3.374 1.696 -4.417 336 HD13 LEU 45 HD13 LEU 45 2.727 0.079 -4.721 337 HD21 LEU 45 HD21 LEU 45 4.107 1.184 -8.019 338 HD22 LEU 45 HD22 LEU 45 4.139 -0.137 -6.832 339 HD23 LEU 45 HD23 LEU 45 4.817 1.452 -6.417 340 H HIS 46 H HIS 46 -0.580 2.753 -4.971 341 HA HIS 46 HA HIS 46 -0.549 5.207 -6.688 342 HB2 HIS 46 HB1 HIS 46 -2.393 4.306 -4.461 343 HB3 HIS 46 HB2 HIS 46 -2.441 5.915 -5.201 344 HD2 HIS 46 HD2 HIS 46 -2.079 3.724 -8.142 345 HE1 HIS 46 HE1 HIS 46 -6.211 3.504 -7.255 346 HE2 HIS 46 HE2 HIS 46 -4.386 3.106 -9.086 347 H GLU 47 H GLU 47 -0.313 7.128 -5.824 348 HA GLU 47 HA GLU 47 0.913 7.455 -3.140 349 HB2 GLU 47 HB1 GLU 47 1.806 9.530 -3.891 350 HB3 GLU 47 HB2 GLU 47 2.293 8.152 -4.946 351 HG2 GLU 47 HG1 GLU 47 2.010 10.024 -6.331 352 HG3 GLU 47 HG2 GLU 47 0.679 8.921 -6.652 353 H THR 48 H THR 48 0.208 9.915 -2.412 354 HA THR 48 HA THR 48 -2.440 10.758 -3.104 355 HB THR 48 HB THR 48 -2.052 9.469 -0.380 356 HG1 THR 48 HG1 THR 48 -2.967 8.689 -2.517 357 HG21 THR 48 HG21 THR 48 -4.273 11.412 -1.129 358 HG22 THR 48 HG22 THR 48 -3.045 11.664 0.131 359 HG23 THR 48 HG23 THR 48 -4.235 10.367 0.301 360 H PHE 49 H PHE 49 -2.685 12.908 -2.497 361 HA PHE 49 HA PHE 49 -0.411 14.300 -1.214 362 HB2 PHE 49 HB1 PHE 49 0.194 15.478 -3.214 363 HB3 PHE 49 HB2 PHE 49 0.310 13.738 -3.507 364 HD1 PHE 49 HD2 PHE 49 -1.647 12.612 -4.779 365 HD2 PHE 49 HD1 PHE 49 -1.030 16.861 -4.704 366 HE1 PHE 49 HE2 PHE 49 -2.875 12.809 -6.879 367 HE2 PHE 49 HE1 PHE 49 -2.375 17.090 -6.755 368 HZ PHE 49 HZ PHE 49 -3.254 15.025 -7.914 369 H MET 50 H MET 50 -0.673 16.777 -1.928 370 HA MET 50 HA MET 50 -3.455 17.646 -1.329 371 HB2 MET 50 HB1 MET 50 -2.474 19.488 -0.050 372 HB3 MET 50 HB2 MET 50 -2.107 17.902 0.656 373 HG2 MET 50 HG1 MET 50 0.152 17.999 -0.364 374 HG3 MET 50 HG2 MET 50 -0.222 19.599 -1.030 375 HE1 MET 50 HE1 MET 50 1.550 21.278 0.199 376 HE2 MET 50 HE2 MET 50 2.381 20.524 1.580 377 HE3 MET 50 HE3 MET 50 2.191 19.619 0.061 378 H ARG 51 H ARG 51 -4.222 19.372 -2.379 379 HA ARG 51 HA ARG 51 -2.693 20.849 -4.414 380 HB2 ARG 51 HB1 ARG 51 -3.655 18.478 -5.158 381 HB3 ARG 51 HB2 ARG 51 -5.178 19.363 -5.265 382 HG2 ARG 51 HG1 ARG 51 -2.895 20.646 -6.664 383 HG3 ARG 51 HG2 ARG 51 -3.354 19.030 -7.287 384 HD2 ARG 51 HD1 ARG 51 -5.702 19.821 -7.503 385 HD3 ARG 51 HD2 ARG 51 -5.153 21.436 -7.047 386 HE ARG 51 HE ARG 51 -3.797 20.124 -9.320 387 HH11 ARG 51 HH12 ARG 51 -6.079 22.698 -8.369 388 HH12 ARG 51 HH11 ARG 51 -6.264 23.245 -9.990 389 HH21 ARG 51 HH22 ARG 51 -3.983 21.014 -11.374 390 HH22 ARG 51 HH21 ARG 51 -5.060 22.354 -11.638 391 H GLU 52 H GLU 52 -3.977 22.643 -5.306 392 HA GLU 52 HA GLU 52 -6.141 23.615 -3.578 393 HB2 GLU 52 HB1 GLU 52 -3.631 24.522 -4.064 394 HB3 GLU 52 HB2 GLU 52 -4.435 25.234 -5.475 395 HG2 GLU 52 HG1 GLU 52 -4.506 26.803 -3.649 396 HG3 GLU 52 HG2 GLU 52 -6.138 26.203 -3.977 397 H VAL 53 H VAL 53 -8.019 24.259 -4.463 398 HA VAL 53 HA VAL 53 -8.215 24.506 -7.458 399 HB VAL 53 HB VAL 53 -10.662 24.727 -5.791 400 HG11 VAL 53 HG11 VAL 53 -10.024 23.500 -8.528 401 HG12 VAL 53 HG12 VAL 53 -11.641 23.823 -7.865 402 HG13 VAL 53 HG13 VAL 53 -10.568 25.170 -8.295 403 HG21 VAL 53 HG21 VAL 53 -9.757 22.640 -4.910 404 HG22 VAL 53 HG22 VAL 53 -11.022 22.254 -6.077 405 HG23 VAL 53 HG23 VAL 53 -9.308 22.095 -6.537 406 H GLU 54 H GLU 54 -10.447 26.529 -6.454 407 HA GLU 54 HA GLU 54 -9.005 28.932 -7.034 408 HB2 GLU 54 HB1 GLU 54 -11.651 28.550 -5.607 409 HB3 GLU 54 HB2 GLU 54 -11.106 30.041 -6.398 410 HG2 GLU 54 HG1 GLU 54 -12.187 29.366 -8.229 411 HG3 GLU 54 HG2 GLU 54 -10.999 28.073 -8.429 412 H GLY 55 H GLY 55 -7.414 27.964 -4.913 413 HA2 GLY 55 HA3 GLY 55 -6.597 28.532 -2.778 414 HA3 GLY 55 HA2 GLY 55 -7.849 29.787 -2.636 415 H LYS 56 H LYS 56 -8.913 26.690 -3.642 416 HA LYS 56 HA LYS 56 -10.011 26.039 -0.925 417 HB2 LYS 56 HB1 LYS 56 -10.706 24.815 -3.613 418 HB3 LYS 56 HB2 LYS 56 -11.479 24.450 -2.057 419 HG2 LYS 56 HG1 LYS 56 -12.405 26.737 -1.975 420 HG3 LYS 56 HG2 LYS 56 -11.570 27.138 -3.502 421 HD2 LYS 56 HD1 LYS 56 -12.792 25.208 -4.580 422 HD3 LYS 56 HD2 LYS 56 -13.765 25.049 -3.114 423 HE2 LYS 56 HE1 LYS 56 -14.855 27.121 -3.487 424 HE3 LYS 56 HE2 LYS 56 -13.506 27.714 -4.521 425 HZ1 LYS 56 HZ1 LYS 56 -14.109 26.112 -6.152 426 HZ2 LYS 56 HZ2 LYS 56 -15.219 27.188 -5.992 427 HZ3 LYS 56 HZ3 LYS 56 -15.489 25.662 -5.337 428 H LYS 57 H LYS 57 -8.249 25.080 0.093 429 HA LYS 57 HA LYS 57 -6.528 23.265 -1.110 430 HB2 LYS 57 HB1 LYS 57 -5.597 22.980 1.070 431 HB3 LYS 57 HB2 LYS 57 -6.052 24.687 0.815 432 HG2 LYS 57 HG1 LYS 57 -6.852 24.476 2.923 433 HG3 LYS 57 HG2 LYS 57 -8.276 23.837 2.103 434 HD2 LYS 57 HD1 LYS 57 -6.917 21.530 2.327 435 HD3 LYS 57 HD2 LYS 57 -6.096 22.429 3.631 436 HE2 LYS 57 HE1 LYS 57 -7.844 21.383 4.793 437 HE3 LYS 57 HE2 LYS 57 -8.544 22.971 4.417 438 HZ1 LYS 57 HZ1 LYS 57 -9.450 21.797 2.363 439 HZ2 LYS 57 HZ2 LYS 57 -10.145 21.340 3.795 440 HZ3 LYS 57 HZ3 LYS 57 -9.026 20.391 3.037 441 H VAL 58 H VAL 58 -6.710 21.254 -1.657 442 HA VAL 58 HA VAL 58 -8.568 19.365 -0.312 443 HB VAL 58 HB VAL 58 -9.705 20.564 -2.209 444 HG11 VAL 58 HG11 VAL 58 -7.751 19.057 -3.997 445 HG12 VAL 58 HG12 VAL 58 -9.221 19.890 -4.540 446 HG13 VAL 58 HG13 VAL 58 -7.908 20.821 -3.821 447 HG21 VAL 58 HG21 VAL 58 -10.889 18.711 -3.046 448 HG22 VAL 58 HG22 VAL 58 -9.551 17.594 -2.772 449 HG23 VAL 58 HG23 VAL 58 -10.415 18.305 -1.389 450 H MET 59 H MET 59 -8.277 17.121 -1.557 451 HA MET 59 HA MET 59 -5.346 16.586 -1.695 452 HB2 MET 59 HB1 MET 59 -7.468 15.165 -0.063 453 HB3 MET 59 HB2 MET 59 -5.860 14.471 -0.438 454 HG2 MET 59 HG1 MET 59 -5.575 15.400 1.660 455 HG3 MET 59 HG2 MET 59 -4.851 16.564 0.559 456 HE1 MET 59 HE1 MET 59 -5.113 19.105 1.086 457 HE2 MET 59 HE2 MET 59 -5.753 19.393 2.720 458 HE3 MET 59 HE3 MET 59 -4.571 18.100 2.449 459 H GLY 60 H GLY 60 -4.705 14.786 -2.851 460 HA2 GLY 60 HA3 GLY 60 -6.600 13.882 -4.970 461 HA3 GLY 60 HA2 GLY 60 -5.014 14.574 -5.382 462 H MET 61 H MET 61 -5.695 12.044 -6.249 463 HA MET 61 HA MET 61 -3.505 10.457 -5.092 464 HB2 MET 61 HB1 MET 61 -5.246 9.581 -3.767 465 HB3 MET 61 HB2 MET 61 -6.416 9.681 -5.097 466 HG2 MET 61 HG1 MET 61 -4.998 7.875 -6.230 467 HG3 MET 61 HG2 MET 61 -4.224 7.656 -4.669 468 HE1 MET 61 HE1 MET 61 -6.384 7.798 -2.522 469 HE2 MET 61 HE2 MET 61 -7.690 8.491 -3.517 470 HE3 MET 61 HE3 MET 61 -7.893 6.884 -2.776 471 H ARG 62 H ARG 62 -2.424 9.464 -6.524 472 HA ARG 62 HA ARG 62 -3.407 8.938 -9.278 473 HB2 ARG 62 HB1 ARG 62 -1.125 10.666 -8.281 474 HB3 ARG 62 HB2 ARG 62 -1.067 9.991 -9.912 475 HG2 ARG 62 HG1 ARG 62 -3.265 11.811 -8.870 476 HG3 ARG 62 HG2 ARG 62 -1.826 12.344 -9.781 477 HD2 ARG 62 HD1 ARG 62 -3.504 12.281 -11.397 478 HD3 ARG 62 HD2 ARG 62 -2.649 10.753 -11.640 479 HE ARG 62 HE ARG 62 -4.814 10.441 -9.762 480 HH11 ARG 62 HH12 ARG 62 -4.373 10.870 -13.252 481 HH12 ARG 62 HH11 ARG 62 -5.795 9.949 -13.644 482 HH21 ARG 62 HH22 ARG 62 -6.622 9.314 -10.314 483 HH22 ARG 62 HH21 ARG 62 -7.102 9.112 -11.980 484 HA PRO 63 HA PRO 63 -0.917 5.299 -8.731 485 HB2 PRO 63 HB1 PRO 63 -0.628 4.355 -11.233 486 HB3 PRO 63 HB2 PRO 63 -2.234 4.403 -10.446 487 HG2 PRO 63 HG1 PRO 63 -1.051 6.437 -12.362 488 HG3 PRO 63 HG2 PRO 63 -2.674 5.660 -12.431 489 HD2 PRO 63 HD1 PRO 63 -2.259 8.145 -11.311 490 HD3 PRO 63 HD2 PRO 63 -3.484 7.004 -10.679 491 H VAL 64 H VAL 64 1.204 4.507 -9.027 492 HA VAL 64 HA VAL 64 3.144 6.388 -10.309 493 HB VAL 64 HB VAL 64 4.712 6.127 -8.421 494 HG11 VAL 64 HG11 VAL 64 2.085 7.377 -7.576 495 HG12 VAL 64 HG12 VAL 64 3.708 7.781 -6.976 496 HG13 VAL 64 HG13 VAL 64 3.279 8.133 -8.658 497 HG21 VAL 64 HG21 VAL 64 3.922 4.110 -7.324 498 HG22 VAL 64 HG22 VAL 64 3.922 5.461 -6.188 499 HG23 VAL 64 HG23 VAL 64 2.389 4.909 -6.879 500 HA PRO 65 HA PRO 65 4.623 2.730 -12.149 501 HB2 PRO 65 HB1 PRO 65 7.173 3.308 -12.850 502 HB3 PRO 65 HB2 PRO 65 5.772 4.175 -13.551 503 HG2 PRO 65 HG1 PRO 65 7.526 5.051 -11.241 504 HG3 PRO 65 HG2 PRO 65 7.042 6.007 -12.687 505 HD2 PRO 65 HD1 PRO 65 5.726 6.199 -10.294 506 HD3 PRO 65 HD2 PRO 65 4.857 6.305 -11.846 507 H PHE 66 H PHE 66 6.273 3.884 -9.318 508 HA PHE 66 HA PHE 66 6.467 1.334 -8.122 509 HB2 PHE 66 HB1 PHE 66 8.898 1.072 -7.985 510 HB3 PHE 66 HB2 PHE 66 8.322 0.937 -9.645 511 HD1 PHE 66 HD1 PHE 66 10.242 2.933 -7.266 512 HD2 PHE 66 HD2 PHE 66 8.857 2.616 -11.298 513 HE1 PHE 66 HE1 PHE 66 11.771 4.761 -7.856 514 HE2 PHE 66 HE2 PHE 66 10.482 4.427 -11.982 515 HZ PHE 66 HZ PHE 66 11.930 5.502 -10.259 516 H LEU 67 H LEU 67 7.787 1.459 -6.094 517 HA LEU 67 HA LEU 67 8.326 4.185 -5.015 518 HB2 LEU 67 HB1 LEU 67 7.832 1.721 -3.312 519 HB3 LEU 67 HB2 LEU 67 7.997 3.394 -2.762 520 HG LEU 67 HG LEU 67 5.631 2.144 -4.217 521 HD11 LEU 67 HD11 LEU 67 4.494 2.585 -2.062 522 HD12 LEU 67 HD12 LEU 67 6.014 3.255 -1.402 523 HD13 LEU 67 HD13 LEU 67 5.912 1.536 -1.840 524 HD21 LEU 67 HD21 LEU 67 5.879 4.494 -4.923 525 HD22 LEU 67 HD22 LEU 67 5.972 4.999 -3.226 526 HD23 LEU 67 HD23 LEU 67 4.475 4.270 -3.879 527 H GLU 68 H GLU 68 10.299 4.139 -3.587 528 HA GLU 68 HA GLU 68 12.110 1.830 -4.101 529 HB2 GLU 68 HB1 GLU 68 12.647 3.444 -5.793 530 HB3 GLU 68 HB2 GLU 68 12.744 4.758 -4.613 531 HG2 GLU 68 HG1 GLU 68 14.800 4.043 -3.788 532 HG3 GLU 68 HG2 GLU 68 14.512 2.345 -4.257 533 H VAL 69 H VAL 69 13.718 1.462 -2.598 534 HA VAL 69 HA VAL 69 13.802 3.259 -0.306 535 HB VAL 69 HB VAL 69 13.737 0.230 0.153 536 HG11 VAL 69 HG11 VAL 69 13.237 0.809 2.506 537 HG12 VAL 69 HG12 VAL 69 14.764 1.518 1.983 538 HG13 VAL 69 HG13 VAL 69 13.323 2.538 2.105 539 HG21 VAL 69 HG21 VAL 69 11.339 2.069 0.372 540 HG22 VAL 69 HG22 VAL 69 11.528 0.666 -0.699 541 HG23 VAL 69 HG23 VAL 69 11.426 0.430 1.046 542 HA PRO 70 HA PRO 70 18.180 2.454 -0.954 543 HB2 PRO 70 HB1 PRO 70 19.240 3.939 1.071 544 HB3 PRO 70 HB2 PRO 70 18.484 4.688 -0.369 545 HG2 PRO 70 HG1 PRO 70 17.206 4.156 2.332 546 HG3 PRO 70 HG2 PRO 70 17.215 5.695 1.400 547 HD2 PRO 70 HD1 PRO 70 15.118 3.952 1.292 548 HD3 PRO 70 HD2 PRO 70 15.648 4.855 -0.155 549 HA PRO 71 HA PRO 71 19.175 -0.863 1.860 550 HB2 PRO 71 HB1 PRO 71 21.869 -0.584 2.343 551 HB3 PRO 71 HB2 PRO 71 21.122 -1.242 0.850 552 HG2 PRO 71 HG1 PRO 71 22.151 1.552 1.345 553 HG3 PRO 71 HG2 PRO 71 22.405 0.501 -0.101 554 HD2 PRO 71 HD1 PRO 71 20.510 2.456 -0.062 555 HD3 PRO 71 HD2 PRO 71 20.237 0.892 -0.885 556 H LYS 72 H LYS 72 19.136 -1.348 3.964 557 HA LYS 72 HA LYS 72 18.860 -1.151 6.177 558 HB2 LYS 72 HB1 LYS 72 20.689 1.249 6.170 559 HB3 LYS 72 HB2 LYS 72 20.386 0.107 7.494 560 HG2 LYS 72 HG1 LYS 72 21.850 -0.462 4.889 561 HG3 LYS 72 HG2 LYS 72 22.571 -0.242 6.495 562 HD2 LYS 72 HD1 LYS 72 21.595 -2.339 7.270 563 HD3 LYS 72 HD2 LYS 72 20.653 -2.505 5.763 564 HE2 LYS 72 HE1 LYS 72 22.747 -2.573 4.464 565 HE3 LYS 72 HE2 LYS 72 23.701 -2.505 5.944 566 HZ1 LYS 72 HZ1 LYS 72 22.758 -4.641 6.563 567 HZ2 LYS 72 HZ2 LYS 72 23.403 -4.739 5.046 568 HZ3 LYS 72 HZ3 LYS 72 21.777 -4.656 5.242 569 H GLY 73 H GLY 73 17.706 1.111 4.174 570 HA2 GLY 73 HA3 GLY 73 16.498 2.968 6.093 571 HA3 GLY 73 HA2 GLY 73 16.279 2.959 4.328 572 H ARG 74 H ARG 74 14.156 3.565 5.808 573 HA ARG 74 HA ARG 74 12.334 1.246 5.389 574 HB2 ARG 74 HB1 ARG 74 12.119 3.416 7.516 575 HB3 ARG 74 HB2 ARG 74 10.792 2.308 7.069 576 HG2 ARG 74 HG1 ARG 74 12.297 0.394 7.673 577 HG3 ARG 74 HG2 ARG 74 13.430 1.563 8.359 578 HD2 ARG 74 HD1 ARG 74 11.702 2.370 9.893 579 HD3 ARG 74 HD2 ARG 74 10.602 1.172 9.215 580 HE ARG 74 HE ARG 74 13.031 0.681 10.887 581 HH11 ARG 74 HH12 ARG 74 10.116 -0.856 9.485 582 HH12 ARG 74 HH11 ARG 74 10.814 -2.444 9.797 583 HH21 ARG 74 HH22 ARG 74 13.697 -1.480 11.242 584 HH22 ARG 74 HH21 ARG 74 12.662 -2.744 10.694 585 H VAL 75 H VAL 75 10.341 1.738 4.535 586 HA VAL 75 HA VAL 75 9.480 4.525 4.175 587 HB VAL 75 HB VAL 75 9.519 2.561 1.832 588 HG11 VAL 75 HG11 VAL 75 7.291 3.551 1.821 589 HG12 VAL 75 HG12 VAL 75 7.962 5.178 2.079 590 HG13 VAL 75 HG13 VAL 75 8.239 4.311 0.554 591 HG21 VAL 75 HG21 VAL 75 10.569 5.431 2.127 592 HG22 VAL 75 HG22 VAL 75 11.559 3.963 1.993 593 HG23 VAL 75 HG23 VAL 75 10.585 4.493 0.622 594 H GLU 76 H GLU 76 7.324 4.629 4.791 595 HA GLU 76 HA GLU 76 5.812 2.057 4.879 596 HB2 GLU 76 HB1 GLU 76 4.374 4.190 6.115 597 HB3 GLU 76 HB2 GLU 76 4.877 2.612 6.761 598 HG2 GLU 76 HG1 GLU 76 5.710 4.230 8.259 599 HG3 GLU 76 HG2 GLU 76 7.123 3.705 7.348 600 H LEU 77 H LEU 77 4.116 1.727 3.669 601 HA LEU 77 HA LEU 77 3.007 3.786 1.870 602 HB2 LEU 77 HB1 LEU 77 2.331 0.891 2.490 603 HB3 LEU 77 HB2 LEU 77 1.294 1.948 1.503 604 HG LEU 77 HG LEU 77 3.421 2.295 0.039 605 HD11 LEU 77 HD11 LEU 77 5.135 1.212 1.415 606 HD12 LEU 77 HD12 LEU 77 4.897 0.248 -0.044 607 HD13 LEU 77 HD13 LEU 77 4.181 -0.287 1.482 608 HD21 LEU 77 HD21 LEU 77 1.467 1.129 -0.777 609 HD22 LEU 77 HD22 LEU 77 1.908 -0.344 0.112 610 HD23 LEU 77 HD23 LEU 77 2.893 0.219 -1.260 611 H LYS 78 H LYS 78 2.089 5.351 2.915 612 HA LYS 78 HA LYS 78 1.062 4.949 5.657 613 HB2 LYS 78 HB1 LYS 78 1.994 7.175 6.076 614 HB3 LYS 78 HB2 LYS 78 3.210 6.092 5.366 615 HG2 LYS 78 HG1 LYS 78 2.693 7.199 3.116 616 HG3 LYS 78 HG2 LYS 78 1.692 8.372 4.011 617 HD2 LYS 78 HD1 LYS 78 3.810 9.422 3.722 618 HD3 LYS 78 HD2 LYS 78 3.739 8.885 5.415 619 HE2 LYS 78 HE1 LYS 78 4.849 6.688 4.337 620 HE3 LYS 78 HE2 LYS 78 5.398 7.809 3.106 621 HZ1 LYS 78 HZ1 LYS 78 6.953 7.497 4.979 622 HZ2 LYS 78 HZ2 LYS 78 5.867 7.914 6.017 623 HZ3 LYS 78 HZ3 LYS 78 6.449 9.095 4.982 624 HA PRO 79 HA PRO 79 -2.981 6.350 5.130 625 HB2 PRO 79 HB1 PRO 79 -3.303 8.335 7.078 626 HB3 PRO 79 HB2 PRO 79 -3.499 6.564 7.266 627 HG2 PRO 79 HG1 PRO 79 -1.066 8.253 7.848 628 HG3 PRO 79 HG2 PRO 79 -1.754 6.905 8.821 629 HD2 PRO 79 HD1 PRO 79 0.375 6.464 7.240 630 HD3 PRO 79 HD2 PRO 79 -0.964 5.280 7.244 631 H GLY 80 H GLY 80 -1.164 9.400 5.787 632 HA2 GLY 80 HA3 GLY 80 -2.589 10.795 3.636 633 HA3 GLY 80 HA2 GLY 80 -1.345 11.463 4.717 634 H GLY 81 H GLY 81 -1.491 8.814 2.267 635 HA2 GLY 81 HA3 GLY 81 -0.066 9.887 0.191 636 HA3 GLY 81 HA2 GLY 81 1.206 9.378 1.323 637 H TYR 82 H TYR 82 2.107 7.549 0.678 638 HA TYR 82 HA TYR 82 1.017 6.224 -1.535 639 HB2 TYR 82 HB1 TYR 82 3.305 5.413 0.278 640 HB3 TYR 82 HB2 TYR 82 2.940 4.636 -1.278 641 HD1 TYR 82 HD1 TYR 82 2.945 6.059 -3.381 642 HD2 TYR 82 HD2 TYR 82 4.722 7.325 0.334 643 HE1 TYR 82 HE1 TYR 82 4.396 7.603 -4.618 644 HE2 TYR 82 HE2 TYR 82 6.149 8.948 -0.911 645 HH TYR 82 HH TYR 82 5.985 9.257 -4.474 646 H HIS 83 H HIS 83 0.217 4.251 -1.991 647 HA HIS 83 HA HIS 83 -0.289 2.232 0.049 648 HB2 HIS 83 HB1 HIS 83 -2.697 2.390 0.133 649 HB3 HIS 83 HB2 HIS 83 -1.925 3.836 0.794 650 HD1 HIS 83 HD1 HIS 83 -2.131 6.111 -0.817 651 HD2 HIS 83 HD2 HIS 83 -4.197 2.643 -2.038 652 HE1 HIS 83 HE1 HIS 83 -3.669 6.783 -2.740 653 H PHE 84 H PHE 84 -1.189 0.282 -0.786 654 HA PHE 84 HA PHE 84 -1.240 0.087 -3.748 655 HB2 PHE 84 HB1 PHE 84 -1.880 -1.939 -1.578 656 HB3 PHE 84 HB2 PHE 84 -1.954 -2.251 -3.327 657 HD1 PHE 84 HD1 PHE 84 0.229 -1.674 -4.681 658 HD2 PHE 84 HD2 PHE 84 0.105 -2.537 -0.452 659 HE1 PHE 84 HE1 PHE 84 2.622 -2.296 -4.735 660 HE2 PHE 84 HE2 PHE 84 2.511 -3.162 -0.518 661 HZ PHE 84 HZ PHE 84 3.779 -2.990 -2.636 662 H MET 85 H MET 85 -3.118 -0.081 -4.904 663 HA MET 85 HA MET 85 -5.748 0.371 -3.556 664 HB2 MET 85 HB1 MET 85 -4.881 1.626 -5.765 665 HB3 MET 85 HB2 MET 85 -5.641 0.197 -6.503 666 HG2 MET 85 HG1 MET 85 -7.343 1.863 -6.321 667 HG3 MET 85 HG2 MET 85 -7.684 0.644 -5.086 668 HE1 MET 85 HE1 MET 85 -9.383 2.681 -4.745 669 HE2 MET 85 HE2 MET 85 -9.109 2.022 -3.123 670 HE3 MET 85 HE3 MET 85 -9.106 3.783 -3.376 671 H LEU 86 H LEU 86 -7.179 -1.346 -3.501 672 HA LEU 86 HA LEU 86 -6.417 -3.940 -4.821 673 HB2 LEU 86 HB1 LEU 86 -7.616 -3.280 -2.110 674 HB3 LEU 86 HB2 LEU 86 -7.808 -4.881 -2.878 675 HG LEU 86 HG LEU 86 -5.431 -5.286 -2.755 676 HD11 LEU 86 HD11 LEU 86 -4.336 -3.149 -2.911 677 HD12 LEU 86 HD12 LEU 86 -3.949 -3.814 -1.336 678 HD13 LEU 86 HD13 LEU 86 -5.179 -2.538 -1.467 679 HD21 LEU 86 HD21 LEU 86 -5.295 -5.475 -0.284 680 HD22 LEU 86 HD22 LEU 86 -6.924 -5.865 -0.861 681 HD23 LEU 86 HD23 LEU 86 -6.603 -4.283 -0.122 682 H LEU 87 H LEU 87 -8.005 -4.833 -6.083 683 HA LEU 87 HA LEU 87 -10.837 -4.048 -5.645 684 HB2 LEU 87 HB1 LEU 87 -9.623 -4.262 -8.416 685 HB3 LEU 87 HB2 LEU 87 -11.305 -3.866 -7.977 686 HG LEU 87 HG LEU 87 -10.167 -1.757 -6.837 687 HD11 LEU 87 HD11 LEU 87 -8.156 -2.408 -9.052 688 HD12 LEU 87 HD12 LEU 87 -7.776 -2.396 -7.323 689 HD13 LEU 87 HD13 LEU 87 -8.240 -0.897 -8.124 690 HD21 LEU 87 HD21 LEU 87 -10.527 -2.042 -9.848 691 HD22 LEU 87 HD22 LEU 87 -10.510 -0.510 -8.943 692 HD23 LEU 87 HD23 LEU 87 -11.806 -1.683 -8.666 693 H GLY 88 H GLY 88 -12.334 -5.678 -6.097 694 HA2 GLY 88 HA3 GLY 88 -13.103 -7.786 -6.729 695 HA3 GLY 88 HA2 GLY 88 -11.512 -8.140 -7.436 696 H LEU 89 H LEU 89 -12.153 -7.155 -4.113 697 HA LEU 89 HA LEU 89 -10.720 -9.024 -2.745 698 HB2 LEU 89 HB1 LEU 89 -12.507 -8.651 -0.870 699 HB3 LEU 89 HB2 LEU 89 -11.345 -7.404 -1.377 700 HG LEU 89 HG LEU 89 -13.134 -6.315 -2.706 701 HD11 LEU 89 HD11 LEU 89 -14.955 -8.467 -1.535 702 HD12 LEU 89 HD12 LEU 89 -14.597 -8.206 -3.257 703 HD13 LEU 89 HD13 LEU 89 -15.513 -6.994 -2.361 704 HD21 LEU 89 HD21 LEU 89 -13.990 -6.800 0.158 705 HD22 LEU 89 HD22 LEU 89 -14.381 -5.404 -0.852 706 HD23 LEU 89 HD23 LEU 89 -12.705 -5.666 -0.352 707 H LYS 90 H LYS 90 -10.845 -10.760 -1.650 708 HA LYS 90 HA LYS 90 -12.590 -12.839 -2.912 709 HB2 LYS 90 HB1 LYS 90 -9.865 -13.120 -1.659 710 HB3 LYS 90 HB2 LYS 90 -10.746 -14.353 -2.584 711 HG2 LYS 90 HG1 LYS 90 -9.644 -11.729 -3.672 712 HG3 LYS 90 HG2 LYS 90 -8.976 -13.373 -3.899 713 HD2 LYS 90 HD1 LYS 90 -10.970 -14.042 -5.129 714 HD3 LYS 90 HD2 LYS 90 -11.653 -12.409 -4.911 715 HE2 LYS 90 HE1 LYS 90 -10.698 -12.803 -7.176 716 HE3 LYS 90 HE2 LYS 90 -9.980 -11.426 -6.314 717 HZ1 LYS 90 HZ1 LYS 90 -8.047 -12.611 -5.951 718 HZ2 LYS 90 HZ2 LYS 90 -8.413 -12.936 -7.507 719 HZ3 LYS 90 HZ3 LYS 90 -8.702 -14.081 -6.354 720 H ARG 91 H ARG 91 -12.383 -11.346 0.060 721 HA ARG 91 HA ARG 91 -13.994 -13.484 1.285 722 HB2 ARG 91 HB1 ARG 91 -12.897 -13.463 3.380 723 HB3 ARG 91 HB2 ARG 91 -11.636 -13.686 2.144 724 HG2 ARG 91 HG1 ARG 91 -11.122 -11.237 2.350 725 HG3 ARG 91 HG2 ARG 91 -12.241 -11.144 3.709 726 HD2 ARG 91 HD1 ARG 91 -9.926 -13.091 3.728 727 HD3 ARG 91 HD2 ARG 91 -9.717 -11.372 4.185 728 HE ARG 91 HE ARG 91 -11.775 -12.175 5.791 729 HH11 ARG 91 HH12 ARG 91 -8.347 -13.189 5.400 730 HH12 ARG 91 HH11 ARG 91 -8.222 -13.599 7.063 731 HH21 ARG 91 HH22 ARG 91 -11.288 -12.468 8.061 732 HH22 ARG 91 HH21 ARG 91 -9.739 -13.145 8.424 733 HA PRO 92 HA PRO 92 -16.222 -9.684 2.611 734 HB2 PRO 92 HB1 PRO 92 -17.668 -10.605 4.723 735 HB3 PRO 92 HB2 PRO 92 -18.097 -11.022 3.035 736 HG2 PRO 92 HG1 PRO 92 -16.507 -12.675 5.018 737 HG3 PRO 92 HG2 PRO 92 -17.870 -13.209 3.972 738 HD2 PRO 92 HD1 PRO 92 -15.227 -13.593 3.303 739 HD3 PRO 92 HD2 PRO 92 -16.487 -13.291 2.073 740 H LEU 93 H LEU 93 -15.746 -8.113 4.262 741 HA LEU 93 HA LEU 93 -13.677 -8.925 6.240 742 HB2 LEU 93 HB1 LEU 93 -13.661 -6.348 4.644 743 HB3 LEU 93 HB2 LEU 93 -12.460 -6.908 5.834 744 HG LEU 93 HG LEU 93 -12.427 -8.966 3.996 745 HD11 LEU 93 HD11 LEU 93 -13.949 -7.709 2.457 746 HD12 LEU 93 HD12 LEU 93 -12.347 -7.982 1.749 747 HD13 LEU 93 HD13 LEU 93 -12.768 -6.386 2.404 748 HD21 LEU 93 HD21 LEU 93 -10.450 -7.964 4.894 749 HD22 LEU 93 HD22 LEU 93 -10.735 -6.442 4.005 750 HD23 LEU 93 HD23 LEU 93 -10.331 -7.942 3.133 751 H LYS 94 H LYS 94 -14.471 -8.630 8.175 752 HA LYS 94 HA LYS 94 -16.448 -6.439 8.626 753 HB2 LYS 94 HB1 LYS 94 -16.964 -7.686 10.767 754 HB3 LYS 94 HB2 LYS 94 -17.379 -8.482 9.220 755 HG2 LYS 94 HG1 LYS 94 -16.551 -10.035 10.917 756 HG3 LYS 94 HG2 LYS 94 -15.592 -10.006 9.424 757 HD2 LYS 94 HD1 LYS 94 -13.818 -8.777 10.544 758 HD3 LYS 94 HD2 LYS 94 -14.793 -8.616 12.018 759 HE2 LYS 94 HE1 LYS 94 -14.618 -10.917 12.528 760 HE3 LYS 94 HE2 LYS 94 -14.229 -11.344 10.830 761 HZ1 LYS 94 HZ1 LYS 94 -12.102 -10.664 11.061 762 HZ2 LYS 94 HZ2 LYS 94 -12.341 -11.425 12.466 763 HZ3 LYS 94 HZ3 LYS 94 -12.315 -9.769 12.430 764 H ALA 95 H ALA 95 -13.679 -6.119 8.558 765 HA ALA 95 HA ALA 95 -11.894 -4.973 9.442 766 HB1 ALA 95 HB1 ALA 95 -13.857 -3.726 11.395 767 HB2 ALA 95 HB2 ALA 95 -12.267 -3.099 10.915 768 HB3 ALA 95 HB3 ALA 95 -13.591 -3.166 9.732 769 H GLY 96 H GLY 96 -10.398 -4.937 11.270 770 HA2 GLY 96 HA3 GLY 96 -9.221 -6.172 12.875 771 HA3 GLY 96 HA2 GLY 96 -10.782 -6.607 13.607 772 H GLU 97 H GLU 97 -9.491 -7.180 10.377 773 HA GLU 97 HA GLU 97 -9.709 -10.159 10.618 774 HB2 GLU 97 HB1 GLU 97 -9.442 -8.478 8.113 775 HB3 GLU 97 HB2 GLU 97 -9.776 -10.205 8.179 776 HG2 GLU 97 HG1 GLU 97 -11.749 -8.209 9.301 777 HG3 GLU 97 HG2 GLU 97 -11.663 -8.562 7.549 778 H GLU 98 H GLU 98 -7.872 -11.024 8.957 779 HA GLU 98 HA GLU 98 -5.392 -9.528 9.110 780 HB2 GLU 98 HB1 GLU 98 -4.498 -11.998 8.666 781 HB3 GLU 98 HB2 GLU 98 -4.580 -11.265 10.289 782 HG2 GLU 98 HG1 GLU 98 -5.249 -13.670 10.136 783 HG3 GLU 98 HG2 GLU 98 -6.420 -12.590 10.916 784 H VAL 99 H VAL 99 -4.361 -9.592 7.372 785 HA VAL 99 HA VAL 99 -5.139 -10.902 4.821 786 HB VAL 99 HB VAL 99 -5.025 -7.871 5.191 787 HG11 VAL 99 HG11 VAL 99 -4.769 -9.481 2.621 788 HG12 VAL 99 HG12 VAL 99 -5.270 -7.777 2.651 789 HG13 VAL 99 HG13 VAL 99 -3.673 -8.228 3.240 790 HG21 VAL 99 HG21 VAL 99 -7.101 -9.687 3.883 791 HG22 VAL 99 HG22 VAL 99 -7.263 -8.893 5.456 792 HG23 VAL 99 HG23 VAL 99 -7.186 -7.910 4.006 793 H GLU 100 H GLU 100 -3.381 -11.269 3.477 794 HA GLU 100 HA GLU 100 -0.692 -10.370 4.439 795 HB2 GLU 100 HB1 GLU 100 -1.421 -12.470 2.386 796 HB3 GLU 100 HB2 GLU 100 0.221 -12.018 2.915 797 HG2 GLU 100 HG1 GLU 100 -0.472 -12.722 5.262 798 HG3 GLU 100 HG2 GLU 100 -1.942 -13.413 4.543 799 H LEU 101 H LEU 101 0.654 -9.229 3.145 800 HA LEU 101 HA LEU 101 -0.152 -8.630 0.337 801 HB2 LEU 101 HB1 LEU 101 0.963 -6.804 2.422 802 HB3 LEU 101 HB2 LEU 101 1.643 -6.686 0.771 803 HG LEU 101 HG LEU 101 -0.086 -5.051 1.273 804 HD11 LEU 101 HD11 LEU 101 0.450 -5.635 -1.024 805 HD12 LEU 101 HD12 LEU 101 -1.230 -5.109 -0.822 806 HD13 LEU 101 HD13 LEU 101 -0.860 -6.824 -1.019 807 HD21 LEU 101 HD21 LEU 101 -2.161 -7.239 1.161 808 HD22 LEU 101 HD22 LEU 101 -2.423 -5.511 1.387 809 HD23 LEU 101 HD23 LEU 101 -1.621 -6.448 2.658 810 H ASP 102 H ASP 102 1.187 -9.207 -1.058 811 HA ASP 102 HA ASP 102 3.977 -10.231 -0.611 812 HB2 ASP 102 HB1 ASP 102 1.772 -10.838 -2.441 813 HB3 ASP 102 HB2 ASP 102 3.223 -10.345 -3.332 814 H LEU 103 H LEU 103 5.636 -8.945 -1.495 815 HA LEU 103 HA LEU 103 4.900 -6.474 -3.022 816 HB2 LEU 103 HB1 LEU 103 7.025 -7.044 -0.933 817 HB3 LEU 103 HB2 LEU 103 7.097 -5.662 -2.056 818 HG LEU 103 HG LEU 103 4.676 -5.158 -1.105 819 HD11 LEU 103 HD11 LEU 103 4.456 -7.156 0.360 820 HD12 LEU 103 HD12 LEU 103 4.503 -5.678 1.312 821 HD13 LEU 103 HD13 LEU 103 5.948 -6.706 1.208 822 HD21 LEU 103 HD21 LEU 103 5.738 -3.715 0.621 823 HD22 LEU 103 HD22 LEU 103 6.613 -3.665 -0.909 824 HD23 LEU 103 HD23 LEU 103 7.248 -4.635 0.430 825 H LEU 104 H LEU 104 5.715 -6.263 -4.975 826 HA LEU 104 HA LEU 104 7.645 -8.278 -6.026 827 HB2 LEU 104 HB1 LEU 104 5.647 -6.455 -7.408 828 HB3 LEU 104 HB2 LEU 104 6.681 -7.601 -8.237 829 HG LEU 104 HG LEU 104 4.388 -8.195 -6.323 830 HD11 LEU 104 HD11 LEU 104 3.331 -9.218 -8.290 831 HD12 LEU 104 HD12 LEU 104 4.743 -8.798 -9.286 832 HD13 LEU 104 HD13 LEU 104 3.722 -7.519 -8.596 833 HD21 LEU 104 HD21 LEU 104 6.104 -9.916 -5.946 834 HD22 LEU 104 HD22 LEU 104 6.254 -10.187 -7.695 835 HD23 LEU 104 HD23 LEU 104 4.750 -10.608 -6.844 836 H PHE 105 H PHE 105 9.641 -7.647 -6.230 837 HA PHE 105 HA PHE 105 10.299 -4.755 -6.502 838 HB2 PHE 105 HB1 PHE 105 11.928 -7.107 -5.506 839 HB3 PHE 105 HB2 PHE 105 12.502 -5.435 -5.626 840 HD1 PHE 105 HD2 PHE 105 11.580 -3.684 -4.160 841 HD2 PHE 105 HD1 PHE 105 10.403 -7.802 -3.680 842 HE1 PHE 105 HE2 PHE 105 10.630 -3.149 -1.939 843 HE2 PHE 105 HE1 PHE 105 9.395 -7.243 -1.491 844 HZ PHE 105 HZ PHE 105 9.533 -4.936 -0.596 845 H ALA 106 H ALA 106 11.956 -4.135 -7.951 846 HA ALA 106 HA ALA 106 12.361 -5.558 -10.426 847 HB1 ALA 106 HB1 ALA 106 14.199 -3.929 -10.755 848 HB2 ALA 106 HB2 ALA 106 12.727 -3.116 -10.178 849 HB3 ALA 106 HB3 ALA 106 14.072 -3.438 -9.052 850 H GLY 107 H GLY 107 14.158 -6.804 -11.111 851 HA2 GLY 107 HA3 GLY 107 16.037 -8.192 -10.833 852 HA3 GLY 107 HA2 GLY 107 15.995 -7.905 -9.080 853 H GLY 108 H GLY 108 12.867 -8.717 -10.130 854 HA2 GLY 108 HA3 GLY 108 11.663 -10.679 -10.366 855 HA3 GLY 108 HA2 GLY 108 13.184 -11.600 -10.349 856 H LYS 109 H LYS 109 13.069 -9.581 -7.629 857 HA LYS 109 HA LYS 109 12.690 -11.796 -5.833 858 HB2 LYS 109 HB1 LYS 109 14.334 -9.802 -5.720 859 HB3 LYS 109 HB2 LYS 109 12.931 -8.872 -5.147 860 HG2 LYS 109 HG1 LYS 109 12.616 -10.502 -3.311 861 HG3 LYS 109 HG2 LYS 109 14.084 -11.342 -3.867 862 HD2 LYS 109 HD1 LYS 109 15.427 -9.341 -3.429 863 HD3 LYS 109 HD2 LYS 109 13.984 -8.394 -3.026 864 HE2 LYS 109 HE1 LYS 109 14.916 -10.876 -1.509 865 HE3 LYS 109 HE2 LYS 109 15.304 -9.208 -1.034 866 HZ1 LYS 109 HZ1 LYS 109 12.593 -10.384 -1.249 867 HZ2 LYS 109 HZ2 LYS 109 12.901 -8.826 -0.831 868 HZ3 LYS 109 HZ3 LYS 109 13.374 -10.057 0.156 869 H VAL 110 H VAL 110 10.979 -12.277 -4.762 870 HA VAL 110 HA VAL 110 8.735 -10.378 -4.318 871 HB VAL 110 HB VAL 110 7.995 -12.255 -5.671 872 HG11 VAL 110 HG11 VAL 110 8.810 -14.070 -3.364 873 HG12 VAL 110 HG12 VAL 110 7.924 -14.557 -4.823 874 HG13 VAL 110 HG13 VAL 110 9.594 -13.986 -4.957 875 HG21 VAL 110 HG21 VAL 110 6.031 -12.884 -4.437 876 HG22 VAL 110 HG22 VAL 110 6.815 -12.555 -2.883 877 HG23 VAL 110 HG23 VAL 110 6.434 -11.218 -3.988 878 H LEU 111 H LEU 111 7.876 -10.279 -2.201 879 HA LEU 111 HA LEU 111 8.846 -11.940 -0.017 880 HB2 LEU 111 HB1 LEU 111 10.726 -10.479 -0.085 881 HB3 LEU 111 HB2 LEU 111 9.710 -9.053 -0.349 882 HG LEU 111 HG LEU 111 9.454 -10.559 2.258 883 HD11 LEU 111 HD11 LEU 111 11.886 -10.376 1.900 884 HD12 LEU 111 HD12 LEU 111 11.366 -9.249 3.160 885 HD13 LEU 111 HD13 LEU 111 11.718 -8.640 1.528 886 HD21 LEU 111 HD21 LEU 111 7.982 -8.573 1.892 887 HD22 LEU 111 HD22 LEU 111 9.394 -7.586 1.484 888 HD23 LEU 111 HD23 LEU 111 9.175 -8.218 3.133 889 H LYS 112 H LYS 112 7.242 -12.082 1.536 890 HA LYS 112 HA LYS 112 4.975 -10.173 1.247 891 HB2 LYS 112 HB1 LYS 112 3.625 -11.870 2.423 892 HB3 LYS 112 HB2 LYS 112 4.255 -12.410 0.858 893 HG2 LYS 112 HG1 LYS 112 5.801 -13.883 1.858 894 HG3 LYS 112 HG2 LYS 112 5.663 -13.110 3.454 895 HD2 LYS 112 HD1 LYS 112 4.542 -15.330 3.304 896 HD3 LYS 112 HD2 LYS 112 3.471 -13.998 3.802 897 HE2 LYS 112 HE1 LYS 112 2.546 -13.888 1.523 898 HE3 LYS 112 HE2 LYS 112 3.618 -15.177 0.979 899 HZ1 LYS 112 HZ1 LYS 112 1.712 -15.470 3.238 900 HZ2 LYS 112 HZ2 LYS 112 2.423 -16.705 2.415 901 HZ3 LYS 112 HZ3 LYS 112 1.208 -15.743 1.779 902 H VAL 113 H VAL 113 3.765 -9.591 3.018 903 HA VAL 113 HA VAL 113 4.919 -9.679 5.758 904 HB VAL 113 HB VAL 113 3.940 -7.356 6.099 905 HG11 VAL 113 HG11 VAL 113 6.392 -7.777 5.946 906 HG12 VAL 113 HG12 VAL 113 6.320 -7.512 4.190 907 HG13 VAL 113 HG13 VAL 113 5.948 -6.185 5.308 908 HG21 VAL 113 HG21 VAL 113 3.769 -5.830 4.198 909 HG22 VAL 113 HG22 VAL 113 4.014 -7.175 3.071 910 HG23 VAL 113 HG23 VAL 113 2.570 -7.124 4.094 911 H VAL 114 H VAL 114 3.334 -9.786 7.370 912 HA VAL 114 HA VAL 114 0.537 -10.352 6.460 913 HB VAL 114 HB VAL 114 1.617 -12.347 7.352 914 HG11 VAL 114 HG11 VAL 114 3.221 -11.316 8.950 915 HG12 VAL 114 HG12 VAL 114 1.867 -10.905 10.028 916 HG13 VAL 114 HG13 VAL 114 2.253 -12.598 9.686 917 HG21 VAL 114 HG21 VAL 114 -0.525 -11.323 9.264 918 HG22 VAL 114 HG22 VAL 114 -0.832 -11.978 7.640 919 HG23 VAL 114 HG23 VAL 114 -0.128 -13.012 8.898 920 H LEU 115 H LEU 115 -1.133 -9.257 7.447 921 HA LEU 115 HA LEU 115 -0.577 -7.372 9.610 922 HB2 LEU 115 HB1 LEU 115 -1.282 -5.439 8.239 923 HB3 LEU 115 HB2 LEU 115 0.332 -6.064 7.920 924 HG LEU 115 HG LEU 115 -2.074 -6.740 6.158 925 HD11 LEU 115 HD11 LEU 115 -1.884 -4.314 6.251 926 HD12 LEU 115 HD12 LEU 115 -1.232 -4.859 4.701 927 HD13 LEU 115 HD13 LEU 115 -0.133 -4.405 6.022 928 HD21 LEU 115 HD21 LEU 115 -0.179 -8.169 5.662 929 HD22 LEU 115 HD22 LEU 115 0.957 -6.822 5.817 930 HD23 LEU 115 HD23 LEU 115 -0.165 -6.915 4.438 931 HA PRO 116 HA PRO 116 -4.948 -7.689 10.214 932 HB2 PRO 116 HB1 PRO 116 -5.547 -5.370 11.569 933 HB3 PRO 116 HB2 PRO 116 -4.638 -6.729 12.301 934 HG2 PRO 116 HG1 PRO 116 -3.495 -4.250 10.964 935 HG3 PRO 116 HG2 PRO 116 -3.095 -4.901 12.595 936 HD2 PRO 116 HD1 PRO 116 -1.540 -5.509 10.474 937 HD3 PRO 116 HD2 PRO 116 -1.975 -6.776 11.663 938 H VAL 117 H VAL 117 -6.950 -6.648 9.769 939 HA VAL 117 HA VAL 117 -6.947 -4.443 7.722 940 HB VAL 117 HB VAL 117 -9.136 -6.377 8.542 941 HG11 VAL 117 HG11 VAL 117 -10.559 -5.423 6.789 942 HG12 VAL 117 HG12 VAL 117 -10.191 -4.218 8.021 943 HG13 VAL 117 HG13 VAL 117 -9.352 -4.170 6.455 944 HG21 VAL 117 HG21 VAL 117 -7.823 -6.022 5.814 945 HG22 VAL 117 HG22 VAL 117 -7.341 -7.265 6.992 946 HG23 VAL 117 HG23 VAL 117 -8.963 -7.270 6.300 947 H GLU 118 H GLU 118 -7.681 -2.433 8.387 948 HA GLU 118 HA GLU 118 -9.161 -2.207 10.953 949 HB2 GLU 118 HB1 GLU 118 -6.590 -0.735 10.355 950 HB3 GLU 118 HB2 GLU 118 -7.732 -0.325 11.662 951 HG2 GLU 118 HG1 GLU 118 -7.476 -2.748 12.450 952 HG3 GLU 118 HG2 GLU 118 -6.090 -2.861 11.356 953 H ALA 119 H ALA 119 -9.582 0.328 11.281 954 HA ALA 119 HA ALA 119 -11.824 0.084 9.487 955 HB1 ALA 119 HB1 ALA 119 -11.969 -0.142 11.941 956 HB2 ALA 119 HB2 ALA 119 -11.523 1.576 12.109 957 HB3 ALA 119 HB3 ALA 119 -13.041 1.125 11.311 958 H ARG 120 H ARG 120 -10.189 1.337 7.949 959 HA ARG 120 HA ARG 120 -11.058 2.431 6.096 960 HB2 ARG 120 HB1 ARG 120 -12.127 4.567 7.927 961 HB3 ARG 120 HB2 ARG 120 -12.152 4.618 6.135 962 HG2 ARG 120 HG1 ARG 120 -13.551 2.685 5.996 963 HG3 ARG 120 HG2 ARG 120 -13.471 2.415 7.751 964 HD2 ARG 120 HD1 ARG 120 -15.543 3.478 7.348 965 HD3 ARG 120 HD2 ARG 120 -14.475 4.666 8.092 966 HE ARG 120 HE ARG 120 -15.440 4.549 5.266 967 HH11 ARG 120 HH12 ARG 120 -13.435 6.324 7.508 968 HH12 ARG 120 HH11 ARG 120 -13.396 7.745 6.513 969 HH21 ARG 120 HH22 ARG 120 -15.302 6.355 3.997 970 HH22 ARG 120 HH21 ARG 120 -14.455 7.762 4.576 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 14.038 -6.911 7.718 2 H2 GLY 1 2H GLY 1 15.117 -8.056 8.191 3 H3 GLY 1 3H GLY 1 14.384 -7.055 9.305 4 HA2 GLY 1 HA3 GLY 1 12.961 -9.003 7.629 5 HA3 GLY 1 HA2 GLY 1 13.386 -9.265 9.335 6 H SER 2 H SER 2 10.693 -9.117 8.176 7 HA SER 2 HA SER 2 9.838 -6.484 8.081 8 HB2 SER 2 HB1 SER 2 8.055 -8.917 8.198 9 HB3 SER 2 HB2 SER 2 7.804 -7.401 7.310 10 HG SER 2 HG SER 2 9.926 -8.074 6.213 11 H PHE 3 H PHE 3 9.122 -5.095 9.561 12 HA PHE 3 HA PHE 3 8.481 -5.826 12.254 13 HB2 PHE 3 HB1 PHE 3 7.900 -3.267 10.720 14 HB3 PHE 3 HB2 PHE 3 7.934 -3.453 12.485 15 HD1 PHE 3 HD1 PHE 3 10.058 -3.704 13.696 16 HD2 PHE 3 HD2 PHE 3 9.962 -3.049 9.435 17 HE1 PHE 3 HE1 PHE 3 12.456 -3.048 13.738 18 HE2 PHE 3 HE2 PHE 3 12.369 -2.450 9.473 19 HZ PHE 3 HZ PHE 3 13.613 -2.416 11.626 20 H THR 4 H THR 4 6.540 -5.851 9.427 21 HA THR 4 HA THR 4 4.336 -6.086 8.941 22 HB THR 4 HB THR 4 3.026 -7.636 10.387 23 HG1 THR 4 HG1 THR 4 4.816 -6.905 12.205 24 HG21 THR 4 HG21 THR 4 4.429 -9.567 9.979 25 HG22 THR 4 HG22 THR 4 5.871 -8.552 9.806 26 HG23 THR 4 HG23 THR 4 4.561 -8.451 8.604 27 H GLU 5 H GLU 5 4.991 -3.626 10.576 28 HA GLU 5 HA GLU 5 2.479 -2.993 11.907 29 HB2 GLU 5 HB1 GLU 5 4.347 -0.822 11.066 30 HB3 GLU 5 HB2 GLU 5 3.434 -1.007 12.566 31 HG2 GLU 5 HG1 GLU 5 5.035 -2.751 13.301 32 HG3 GLU 5 HG2 GLU 5 5.945 -2.520 11.783 33 H GLY 6 H GLY 6 0.906 -3.398 10.325 34 HA2 GLY 6 HA3 GLY 6 0.388 -1.162 8.522 35 HA3 GLY 6 HA2 GLY 6 0.626 -2.727 7.712 36 H TRP 7 H TRP 7 -1.748 -1.566 7.342 37 HA TRP 7 HA TRP 7 -3.546 -3.485 8.427 38 HB2 TRP 7 HB1 TRP 7 -5.152 -2.042 9.510 39 HB3 TRP 7 HB2 TRP 7 -3.600 -1.978 10.341 40 HD1 TRP 7 HD TRP 7 -6.220 0.136 8.822 41 HE1 TRP 7 HE1 TRP 7 -5.621 2.616 9.001 42 HE3 TRP 7 3HE TRP 7 -1.302 -0.285 10.235 43 HZ2 TRP 7 HZ2 TRP 7 -3.277 4.219 9.487 44 HZ3 TRP 7 HZ3 TRP 7 0.097 1.735 10.489 45 HH2 TRP 7 HH TRP 7 -0.865 3.988 10.126 46 H VAL 8 H VAL 8 -5.340 -3.791 7.119 47 HA VAL 8 HA VAL 8 -5.627 -2.100 4.678 48 HB VAL 8 HB VAL 8 -7.444 -4.332 5.561 49 HG11 VAL 8 HG11 VAL 8 -7.031 -3.093 2.817 50 HG12 VAL 8 HG12 VAL 8 -8.077 -4.478 3.180 51 HG13 VAL 8 HG13 VAL 8 -8.460 -2.897 3.858 52 HG21 VAL 8 HG21 VAL 8 -5.212 -5.318 5.313 53 HG22 VAL 8 HG22 VAL 8 -6.229 -5.810 3.960 54 HG23 VAL 8 HG23 VAL 8 -5.016 -4.536 3.729 55 H ARG 9 H ARG 9 -7.346 -0.612 4.402 56 HA ARG 9 HA ARG 9 -8.536 0.359 6.891 57 HB2 ARG 9 HB1 ARG 9 -7.294 1.597 4.939 58 HB3 ARG 9 HB2 ARG 9 -8.861 1.689 4.185 59 HG2 ARG 9 HG1 ARG 9 -8.484 2.569 7.060 60 HG3 ARG 9 HG2 ARG 9 -7.909 3.617 5.731 61 HD2 ARG 9 HD1 ARG 9 -10.790 2.799 6.112 62 HD3 ARG 9 HD2 ARG 9 -10.024 4.326 6.667 63 HE ARG 9 HE ARG 9 -9.793 5.051 4.471 64 HH11 ARG 9 HH12 ARG 9 -11.402 1.873 4.351 65 HH12 ARG 9 HH11 ARG 9 -12.118 2.189 2.809 66 HH21 ARG 9 HH22 ARG 9 -10.826 5.409 2.512 67 HH22 ARG 9 HH21 ARG 9 -11.776 4.139 1.782 68 H PHE 10 H PHE 10 -9.735 -2.105 5.392 69 HA PHE 10 HA PHE 10 -11.788 -3.046 5.042 70 HB2 PHE 10 HB1 PHE 10 -12.304 -2.535 7.237 71 HB3 PHE 10 HB2 PHE 10 -12.391 -0.792 6.955 72 HD1 PHE 10 HD2 PHE 10 -14.213 -3.966 6.539 73 HD2 PHE 10 HD1 PHE 10 -14.403 0.322 6.403 74 HE1 PHE 10 HE2 PHE 10 -16.677 -4.090 6.265 75 HE2 PHE 10 HE1 PHE 10 -16.854 0.212 6.068 76 HZ PHE 10 HZ PHE 10 -18.006 -2.001 6.004 77 H SER 11 H SER 11 -13.918 -2.959 3.863 78 HA SER 11 HA SER 11 -15.166 -0.571 3.267 79 HB2 SER 11 HB1 SER 11 -13.549 -1.829 1.055 80 HB3 SER 11 HB2 SER 11 -15.147 -1.159 0.703 81 HG SER 11 HG SER 11 -12.995 0.101 2.012 82 HA PRO 12 HA PRO 12 -18.304 -3.775 2.711 83 HB2 PRO 12 HB1 PRO 12 -20.493 -2.291 2.292 84 HB3 PRO 12 HB2 PRO 12 -19.550 -2.098 3.803 85 HG2 PRO 12 HG1 PRO 12 -19.360 -0.411 1.279 86 HG3 PRO 12 HG2 PRO 12 -19.612 0.166 2.969 87 HD2 PRO 12 HD1 PRO 12 -17.124 0.008 1.764 88 HD3 PRO 12 HD2 PRO 12 -17.379 -0.211 3.518 89 H GLY 13 H GLY 13 -16.553 -3.222 0.417 90 HA2 GLY 13 HA3 GLY 13 -18.263 -3.914 -1.849 91 HA3 GLY 13 HA2 GLY 13 -17.502 -2.311 -1.958 92 HA PRO 14 HA PRO 14 -14.811 -5.806 -3.649 93 HB2 PRO 14 HB1 PRO 14 -14.582 -5.005 -6.254 94 HB3 PRO 14 HB2 PRO 14 -15.974 -5.944 -5.638 95 HG2 PRO 14 HG1 PRO 14 -15.776 -2.944 -6.020 96 HG3 PRO 14 HG2 PRO 14 -17.096 -4.044 -6.560 97 HD2 PRO 14 HD1 PRO 14 -17.280 -2.610 -4.249 98 HD3 PRO 14 HD2 PRO 14 -17.915 -4.276 -4.354 99 H ASN 15 H ASN 15 -14.515 -2.283 -3.815 100 HA ASN 15 HA ASN 15 -11.631 -2.349 -4.220 101 HB2 ASN 15 HB1 ASN 15 -13.384 -0.028 -3.350 102 HB3 ASN 15 HB2 ASN 15 -11.844 0.039 -4.202 103 HD21 ASN 15 HD21 ASN 15 -11.842 -0.571 -6.553 104 HD22 ASN 15 HD22 ASN 15 -13.367 -0.457 -7.417 105 H ALA 16 H ALA 16 -10.105 -1.841 -2.648 106 HA ALA 16 HA ALA 16 -10.919 -0.673 -0.088 107 HB1 ALA 16 HB1 ALA 16 -11.038 -3.127 0.358 108 HB2 ALA 16 HB2 ALA 16 -9.337 -3.287 -0.110 109 HB3 ALA 16 HB3 ALA 16 -9.781 -2.335 1.323 110 H ALA 17 H ALA 17 -8.640 -0.494 1.273 111 HA ALA 17 HA ALA 17 -6.382 0.294 -0.458 112 HB1 ALA 17 HB1 ALA 17 -6.221 2.516 0.577 113 HB2 ALA 17 HB2 ALA 17 -7.772 2.358 -0.275 114 HB3 ALA 17 HB3 ALA 17 -7.711 2.232 1.499 115 H ALA 18 H ALA 18 -4.380 0.262 0.803 116 HA ALA 18 HA ALA 18 -4.568 -0.569 3.653 117 HB1 ALA 18 HB1 ALA 18 -3.153 -2.212 1.515 118 HB2 ALA 18 HB2 ALA 18 -3.255 -2.584 3.248 119 HB3 ALA 18 HB3 ALA 18 -4.719 -2.631 2.245 120 H TYR 19 H TYR 19 -2.887 -0.240 4.908 121 HA TYR 19 HA TYR 19 -0.515 1.287 3.895 122 HB2 TYR 19 HB1 TYR 19 -1.656 1.241 6.699 123 HB3 TYR 19 HB2 TYR 19 -0.483 2.377 6.038 124 HD1 TYR 19 HD1 TYR 19 -1.351 3.924 4.066 125 HD2 TYR 19 HD2 TYR 19 -3.928 1.687 6.693 126 HE1 TYR 19 HE1 TYR 19 -3.259 5.404 3.460 127 HE2 TYR 19 HE2 TYR 19 -5.803 3.210 6.174 128 HH TYR 19 HH TYR 19 -5.444 5.937 3.873 129 H LEU 20 H LEU 20 1.510 0.884 4.997 130 HA LEU 20 HA LEU 20 1.982 -1.232 6.817 131 HB2 LEU 20 HB1 LEU 20 3.064 -2.900 5.436 132 HB3 LEU 20 HB2 LEU 20 1.373 -2.697 4.942 133 HG LEU 20 HG LEU 20 2.454 -1.066 3.122 134 HD11 LEU 20 HD11 LEU 20 4.625 -2.026 2.292 135 HD12 LEU 20 HD12 LEU 20 4.752 -2.981 3.783 136 HD13 LEU 20 HD13 LEU 20 4.814 -1.210 3.829 137 HD21 LEU 20 HD21 LEU 20 2.557 -4.104 2.926 138 HD22 LEU 20 HD22 LEU 20 2.549 -2.962 1.561 139 HD23 LEU 20 HD23 LEU 20 1.140 -3.069 2.620 140 H THR 21 H THR 21 4.127 -1.607 7.369 141 HA THR 21 HA THR 21 6.040 0.543 6.764 142 HB THR 21 HB THR 21 7.337 -0.764 8.656 143 HG1 THR 21 HG1 THR 21 4.717 -1.488 9.276 144 HG21 THR 21 HG21 THR 21 4.749 0.768 9.153 145 HG22 THR 21 HG22 THR 21 6.341 1.484 8.835 146 HG23 THR 21 HG23 THR 21 6.083 0.539 10.298 147 H LEU 22 H LEU 22 7.197 0.353 5.091 148 HA LEU 22 HA LEU 22 8.046 -2.211 3.927 149 HB2 LEU 22 HB1 LEU 22 7.276 0.009 2.761 150 HB3 LEU 22 HB2 LEU 22 8.926 0.573 3.057 151 HG LEU 22 HG LEU 22 8.661 -0.152 0.800 152 HD11 LEU 22 HD11 LEU 22 10.618 -1.299 0.531 153 HD12 LEU 22 HD12 LEU 22 10.273 -2.454 1.828 154 HD13 LEU 22 HD13 LEU 22 10.827 -0.817 2.214 155 HD21 LEU 22 HD21 LEU 22 8.120 -2.433 0.159 156 HD22 LEU 22 HD22 LEU 22 6.810 -1.763 1.155 157 HD23 LEU 22 HD23 LEU 22 7.959 -2.923 1.851 158 H GLU 23 H GLU 23 10.165 -2.987 3.937 159 HA GLU 23 HA GLU 23 12.127 -1.639 5.744 160 HB2 GLU 23 HB1 GLU 23 12.958 -3.806 6.362 161 HB3 GLU 23 HB2 GLU 23 11.230 -3.727 6.739 162 HG2 GLU 23 HG1 GLU 23 10.679 -5.104 4.830 163 HG3 GLU 23 HG2 GLU 23 12.342 -5.022 4.197 164 H ASN 24 H ASN 24 14.340 -1.847 5.194 165 HA ASN 24 HA ASN 24 14.986 -3.480 2.795 166 HB2 ASN 24 HB1 ASN 24 15.002 -1.091 2.137 167 HB3 ASN 24 HB2 ASN 24 16.202 -0.765 3.395 168 HD21 ASN 24 HD21 ASN 24 16.803 -0.186 0.759 169 HD22 ASN 24 HD22 ASN 24 18.019 -1.357 0.197 170 HA PRO 25 HA PRO 25 17.659 -4.757 6.224 171 HB2 PRO 25 HB1 PRO 25 17.808 -7.418 5.675 172 HB3 PRO 25 HB2 PRO 25 16.286 -6.678 6.258 173 HG2 PRO 25 HG1 PRO 25 17.084 -7.227 3.379 174 HG3 PRO 25 HG2 PRO 25 15.569 -7.730 4.202 175 HD2 PRO 25 HD1 PRO 25 15.720 -5.461 2.693 176 HD3 PRO 25 HD2 PRO 25 14.733 -5.528 4.180 177 H GLY 26 H GLY 26 18.502 -4.486 2.895 178 HA2 GLY 26 HA3 GLY 26 21.117 -5.823 3.234 179 HA3 GLY 26 HA2 GLY 26 20.350 -5.349 1.702 180 H ASP 27 H ASP 27 22.827 -4.673 1.872 181 HA ASP 27 HA ASP 27 23.265 -1.914 2.764 182 HB2 ASP 27 HB1 ASP 27 24.882 -4.208 1.613 183 HB3 ASP 27 HB2 ASP 27 25.539 -2.580 1.791 184 H LEU 28 H LEU 28 21.753 -3.246 0.260 185 HA LEU 28 HA LEU 28 22.539 -1.203 -1.745 186 HB2 LEU 28 HB1 LEU 28 21.866 -2.788 -3.484 187 HB3 LEU 28 HB2 LEU 28 23.180 -3.394 -2.426 188 HG LEU 28 HG LEU 28 21.235 -4.680 -1.207 189 HD11 LEU 28 HD11 LEU 28 19.963 -4.194 -3.946 190 HD12 LEU 28 HD12 LEU 28 19.302 -3.686 -2.379 191 HD13 LEU 28 HD13 LEU 28 19.422 -5.399 -2.756 192 HD21 LEU 28 HD21 LEU 28 21.538 -6.581 -2.751 193 HD22 LEU 28 HD22 LEU 28 23.067 -5.744 -2.453 194 HD23 LEU 28 HD23 LEU 28 22.201 -5.483 -3.983 195 HA PRO 29 HA PRO 29 18.472 0.301 -1.268 196 HB2 PRO 29 HB1 PRO 29 17.864 1.521 -3.618 197 HB3 PRO 29 HB2 PRO 29 19.175 2.088 -2.540 198 HG2 PRO 29 HG1 PRO 29 19.401 0.363 -5.012 199 HG3 PRO 29 HG2 PRO 29 20.419 1.766 -4.539 200 HD2 PRO 29 HD1 PRO 29 21.113 -0.885 -4.110 201 HD3 PRO 29 HD2 PRO 29 21.688 0.430 -3.065 202 H LEU 30 H LEU 30 16.315 -0.163 -1.495 203 HA LEU 30 HA LEU 30 15.513 -2.313 -3.396 204 HB2 LEU 30 HB1 LEU 30 14.846 -1.792 -0.541 205 HB3 LEU 30 HB2 LEU 30 13.473 -2.260 -1.560 206 HG LEU 30 HG LEU 30 14.533 -4.104 -0.314 207 HD11 LEU 30 HD11 LEU 30 13.195 -4.664 -2.173 208 HD12 LEU 30 HD12 LEU 30 14.598 -5.719 -2.216 209 HD13 LEU 30 HD13 LEU 30 14.494 -4.339 -3.344 210 HD21 LEU 30 HD21 LEU 30 16.929 -3.356 -0.665 211 HD22 LEU 30 HD22 LEU 30 16.798 -3.964 -2.326 212 HD23 LEU 30 HD23 LEU 30 16.612 -5.081 -0.955 213 H ARG 31 H ARG 31 13.405 -2.230 -4.091 214 HA ARG 31 HA ARG 31 12.188 0.437 -4.463 215 HB2 ARG 31 HB1 ARG 31 14.034 0.198 -6.177 216 HB3 ARG 31 HB2 ARG 31 13.123 -1.162 -6.870 217 HG2 ARG 31 HG1 ARG 31 11.272 0.262 -7.444 218 HG3 ARG 31 HG2 ARG 31 11.913 1.608 -6.470 219 HD2 ARG 31 HD1 ARG 31 13.251 0.509 -8.969 220 HD3 ARG 31 HD2 ARG 31 12.203 1.951 -8.909 221 HE ARG 31 HE ARG 31 14.171 2.257 -6.914 222 HH11 ARG 31 HH12 ARG 31 14.103 2.334 -10.431 223 HH12 ARG 31 HH11 ARG 31 15.593 3.240 -10.515 224 HH21 ARG 31 HH22 ARG 31 15.971 3.399 -7.029 225 HH22 ARG 31 HH21 ARG 31 16.646 3.892 -8.552 226 H LEU 32 H LEU 32 10.123 0.072 -4.107 227 HA LEU 32 HA LEU 32 8.868 -2.597 -4.474 228 HB2 LEU 32 HB1 LEU 32 8.741 -1.527 -2.319 229 HB3 LEU 32 HB2 LEU 32 8.146 -0.013 -3.030 230 HG LEU 32 HG LEU 32 6.073 -1.403 -3.774 231 HD11 LEU 32 HD11 LEU 32 5.636 -3.412 -2.363 232 HD12 LEU 32 HD12 LEU 32 7.299 -3.328 -1.752 233 HD13 LEU 32 HD13 LEU 32 6.996 -3.650 -3.463 234 HD21 LEU 32 HD21 LEU 32 5.818 0.220 -2.100 235 HD22 LEU 32 HD22 LEU 32 6.792 -0.674 -0.926 236 HD23 LEU 32 HD23 LEU 32 5.175 -1.253 -1.356 237 H VAL 33 H VAL 33 7.865 -2.943 -6.342 238 HA VAL 33 HA VAL 33 6.946 -0.617 -8.007 239 HB VAL 33 HB VAL 33 7.298 -2.032 -9.964 240 HG11 VAL 33 HG11 VAL 33 9.790 -2.011 -8.195 241 HG12 VAL 33 HG12 VAL 33 9.745 -2.116 -9.962 242 HG13 VAL 33 HG13 VAL 33 9.198 -0.644 -9.158 243 HG21 VAL 33 HG21 VAL 33 8.441 -4.184 -9.878 244 HG22 VAL 33 HG22 VAL 33 8.494 -4.142 -8.112 245 HG23 VAL 33 HG23 VAL 33 6.938 -4.303 -8.960 246 H GLY 34 H GLY 34 5.920 -3.497 -6.325 247 HA2 GLY 34 HA3 GLY 34 3.142 -3.220 -7.166 248 HA3 GLY 34 HA2 GLY 34 3.952 -4.714 -7.690 249 H ALA 35 H ALA 35 2.023 -5.396 -6.393 250 HA ALA 35 HA ALA 35 2.950 -6.537 -3.902 251 HB1 ALA 35 HB1 ALA 35 0.488 -4.729 -3.929 252 HB2 ALA 35 HB2 ALA 35 0.906 -5.842 -2.608 253 HB3 ALA 35 HB3 ALA 35 1.987 -4.513 -2.991 254 H ARG 36 H ARG 36 1.014 -7.918 -3.023 255 HA ARG 36 HA ARG 36 -0.959 -8.908 -4.929 256 HB2 ARG 36 HB1 ARG 36 1.561 -10.296 -4.559 257 HB3 ARG 36 HB2 ARG 36 0.242 -11.296 -3.917 258 HG2 ARG 36 HG1 ARG 36 -0.891 -11.188 -6.124 259 HG3 ARG 36 HG2 ARG 36 0.494 -10.264 -6.760 260 HD2 ARG 36 HD1 ARG 36 2.025 -12.099 -6.027 261 HD3 ARG 36 HD2 ARG 36 0.626 -13.029 -5.453 262 HE ARG 36 HE ARG 36 0.212 -12.379 -8.180 263 HH11 ARG 36 HH12 ARG 36 2.363 -14.393 -6.250 264 HH12 ARG 36 HH11 ARG 36 2.754 -15.455 -7.572 265 HH21 ARG 36 HH22 ARG 36 0.690 -13.820 -9.869 266 HH22 ARG 36 HH21 ARG 36 1.771 -15.150 -9.604 267 H THR 37 H THR 37 -2.393 -10.551 -3.762 268 HA THR 37 HA THR 37 -2.188 -11.214 -1.021 269 HB THR 37 HB THR 37 -2.623 -8.987 -0.430 270 HG1 THR 37 HG1 THR 37 -3.693 -10.199 0.876 271 HG21 THR 37 HG21 THR 37 -3.627 -8.043 -2.486 272 HG22 THR 37 HG22 THR 37 -4.674 -7.757 -1.094 273 HG23 THR 37 HG23 THR 37 -5.083 -9.042 -2.245 274 HA PRO 38 HA PRO 38 -5.209 -13.908 -2.848 275 HB2 PRO 38 HB1 PRO 38 -6.378 -15.142 -0.697 276 HB3 PRO 38 HB2 PRO 38 -4.707 -15.450 -1.269 277 HG2 PRO 38 HG1 PRO 38 -5.584 -13.686 1.003 278 HG3 PRO 38 HG2 PRO 38 -4.238 -14.876 0.972 279 HD2 PRO 38 HD1 PRO 38 -3.895 -12.176 0.580 280 HD3 PRO 38 HD2 PRO 38 -2.845 -13.356 -0.222 281 H VAL 39 H VAL 39 -6.202 -11.377 -0.708 282 HA VAL 39 HA VAL 39 -9.024 -11.520 -1.707 283 HB VAL 39 HB VAL 39 -9.553 -9.774 -0.036 284 HG11 VAL 39 HG11 VAL 39 -8.356 -12.344 1.062 285 HG12 VAL 39 HG12 VAL 39 -9.546 -11.306 1.874 286 HG13 VAL 39 HG13 VAL 39 -9.978 -12.138 0.370 287 HG21 VAL 39 HG21 VAL 39 -7.276 -8.781 0.306 288 HG22 VAL 39 HG22 VAL 39 -7.988 -9.333 1.829 289 HG23 VAL 39 HG23 VAL 39 -6.737 -10.304 1.029 290 H ALA 40 H ALA 40 -7.370 -11.017 -3.714 291 HA ALA 40 HA ALA 40 -8.714 -8.574 -4.635 292 HB1 ALA 40 HB1 ALA 40 -6.646 -7.558 -5.547 293 HB2 ALA 40 HB2 ALA 40 -6.591 -7.636 -3.786 294 HB3 ALA 40 HB3 ALA 40 -5.666 -8.808 -4.757 295 H GLU 41 H GLU 41 -8.491 -8.290 -6.946 296 HA GLU 41 HA GLU 41 -7.798 -10.696 -8.584 297 HB2 GLU 41 HB1 GLU 41 -10.097 -9.989 -8.823 298 HB3 GLU 41 HB2 GLU 41 -9.642 -8.330 -9.136 299 HG2 GLU 41 HG1 GLU 41 -8.503 -10.428 -10.967 300 HG3 GLU 41 HG2 GLU 41 -10.270 -10.168 -11.038 301 H ARG 42 H ARG 42 -7.338 -7.150 -8.202 302 HA ARG 42 HA ARG 42 -4.592 -7.439 -9.090 303 HB2 ARG 42 HB1 ARG 42 -4.612 -5.701 -10.697 304 HB3 ARG 42 HB2 ARG 42 -5.898 -6.833 -11.148 305 HG2 ARG 42 HG1 ARG 42 -7.530 -5.241 -10.013 306 HG3 ARG 42 HG2 ARG 42 -6.184 -4.090 -9.835 307 HD2 ARG 42 HD1 ARG 42 -7.377 -3.417 -11.784 308 HD3 ARG 42 HD2 ARG 42 -5.903 -4.203 -12.367 309 HE ARG 42 HE ARG 42 -7.942 -6.166 -12.090 310 HH11 ARG 42 HH12 ARG 42 -7.520 -3.369 -14.175 311 HH12 ARG 42 HH11 ARG 42 -8.541 -4.049 -15.420 312 HH21 ARG 42 HH22 ARG 42 -9.122 -7.029 -13.655 313 HH22 ARG 42 HH21 ARG 42 -9.460 -6.154 -15.120 314 H VAL 43 H VAL 43 -3.490 -5.274 -8.707 315 HA VAL 43 HA VAL 43 -4.497 -3.756 -6.390 316 HB VAL 43 HB VAL 43 -3.341 -5.798 -5.487 317 HG11 VAL 43 HG11 VAL 43 -0.967 -5.988 -5.469 318 HG12 VAL 43 HG12 VAL 43 -1.491 -5.965 -7.155 319 HG13 VAL 43 HG13 VAL 43 -0.734 -4.525 -6.436 320 HG21 VAL 43 HG21 VAL 43 -3.619 -3.800 -4.109 321 HG22 VAL 43 HG22 VAL 43 -2.098 -4.618 -3.742 322 HG23 VAL 43 HG23 VAL 43 -2.087 -3.135 -4.718 323 H GLU 44 H GLU 44 -3.533 -1.746 -6.229 324 HA GLU 44 HA GLU 44 -1.497 -0.875 -8.260 325 HB2 GLU 44 HB1 GLU 44 -4.085 0.444 -7.326 326 HB3 GLU 44 HB2 GLU 44 -2.806 1.318 -8.196 327 HG2 GLU 44 HG1 GLU 44 -3.176 0.115 -10.190 328 HG3 GLU 44 HG2 GLU 44 -4.090 -1.159 -9.363 329 H LEU 45 H LEU 45 -0.074 0.794 -7.403 330 HA LEU 45 HA LEU 45 -0.626 1.547 -4.568 331 HB2 LEU 45 HB1 LEU 45 1.482 2.099 -4.042 332 HB3 LEU 45 HB2 LEU 45 1.616 0.515 -4.758 333 HG LEU 45 HG LEU 45 2.309 3.135 -6.098 334 HD11 LEU 45 HD11 LEU 45 3.676 2.773 -4.148 335 HD12 LEU 45 HD12 LEU 45 4.644 2.595 -5.620 336 HD13 LEU 45 HD13 LEU 45 4.131 1.147 -4.720 337 HD21 LEU 45 HD21 LEU 45 1.901 1.353 -7.781 338 HD22 LEU 45 HD22 LEU 45 2.950 0.235 -6.880 339 HD23 LEU 45 HD23 LEU 45 3.643 1.660 -7.676 340 H HIS 46 H HIS 46 -0.946 3.480 -4.015 341 HA HIS 46 HA HIS 46 -1.070 5.620 -6.078 342 HB2 HIS 46 HB1 HIS 46 -2.849 4.939 -3.711 343 HB3 HIS 46 HB2 HIS 46 -2.997 6.441 -4.632 344 HD2 HIS 46 HD2 HIS 46 -2.565 3.895 -7.234 345 HE1 HIS 46 HE1 HIS 46 -6.685 3.647 -6.289 346 HE2 HIS 46 HE2 HIS 46 -4.917 3.024 -8.049 347 H GLU 47 H GLU 47 -0.760 7.662 -5.458 348 HA GLU 47 HA GLU 47 0.511 8.268 -2.840 349 HB2 GLU 47 HB1 GLU 47 1.504 10.153 -3.751 350 HB3 GLU 47 HB2 GLU 47 1.652 8.934 -5.033 351 HG2 GLU 47 HG1 GLU 47 -0.521 9.978 -5.982 352 HG3 GLU 47 HG2 GLU 47 -0.230 11.325 -4.870 353 H THR 48 H THR 48 -0.301 10.242 -1.750 354 HA THR 48 HA THR 48 -3.029 11.207 -2.626 355 HB THR 48 HB THR 48 -1.835 10.858 0.148 356 HG1 THR 48 HG1 THR 48 -4.251 10.103 -1.067 357 HG21 THR 48 HG21 THR 48 -4.355 12.416 -0.600 358 HG22 THR 48 HG22 THR 48 -2.900 13.070 0.184 359 HG23 THR 48 HG23 THR 48 -3.904 11.901 1.042 360 H PHE 49 H PHE 49 -3.179 13.489 -2.798 361 HA PHE 49 HA PHE 49 -0.682 15.044 -2.384 362 HB2 PHE 49 HB1 PHE 49 -0.674 15.862 -4.641 363 HB3 PHE 49 HB2 PHE 49 -0.544 14.114 -4.633 364 HD1 PHE 49 HD2 PHE 49 -2.957 16.930 -5.076 365 HD2 PHE 49 HD1 PHE 49 -2.051 12.849 -6.114 366 HE1 PHE 49 HE2 PHE 49 -4.776 16.981 -6.685 367 HE2 PHE 49 HE1 PHE 49 -3.901 12.887 -7.758 368 HZ PHE 49 HZ PHE 49 -5.259 14.951 -8.085 369 H MET 50 H MET 50 -0.964 17.325 -3.051 370 HA MET 50 HA MET 50 -3.673 18.485 -2.465 371 HB2 MET 50 HB1 MET 50 -0.912 19.491 -1.720 372 HB3 MET 50 HB2 MET 50 -2.313 20.584 -1.858 373 HG2 MET 50 HG1 MET 50 -3.529 19.329 -0.183 374 HG3 MET 50 HG2 MET 50 -2.233 18.120 -0.083 375 HE1 MET 50 HE1 MET 50 -2.189 22.402 1.614 376 HE2 MET 50 HE2 MET 50 -1.599 22.240 -0.050 377 HE3 MET 50 HE3 MET 50 -3.268 21.765 0.346 378 H ARG 51 H ARG 51 -4.415 20.038 -3.868 379 HA ARG 51 HA ARG 51 -2.704 21.187 -5.937 380 HB2 ARG 51 HB1 ARG 51 -5.021 19.402 -6.645 381 HB3 ARG 51 HB2 ARG 51 -4.527 20.759 -7.699 382 HG2 ARG 51 HG1 ARG 51 -2.235 19.837 -7.785 383 HG3 ARG 51 HG2 ARG 51 -2.784 18.435 -6.845 384 HD2 ARG 51 HD1 ARG 51 -4.510 18.078 -8.734 385 HD3 ARG 51 HD2 ARG 51 -3.524 19.219 -9.674 386 HE ARG 51 HE ARG 51 -1.721 17.396 -8.607 387 HH11 ARG 51 HH12 ARG 51 -4.487 17.084 -10.767 388 HH12 ARG 51 HH11 ARG 51 -3.989 15.522 -11.349 389 HH21 ARG 51 HH22 ARG 51 -1.116 15.389 -9.371 390 HH22 ARG 51 HH21 ARG 51 -2.048 14.583 -10.594 391 H GLU 52 H GLU 52 -3.445 23.280 -6.573 392 HA GLU 52 HA GLU 52 -5.783 24.363 -5.253 393 HB2 GLU 52 HB1 GLU 52 -3.243 25.217 -5.695 394 HB3 GLU 52 HB2 GLU 52 -3.981 25.838 -7.178 395 HG2 GLU 52 HG1 GLU 52 -4.038 27.533 -5.437 396 HG3 GLU 52 HG2 GLU 52 -5.676 26.985 -5.835 397 H VAL 53 H VAL 53 -7.645 24.980 -6.340 398 HA VAL 53 HA VAL 53 -7.544 25.323 -9.288 399 HB VAL 53 HB VAL 53 -9.867 24.376 -9.468 400 HG11 VAL 53 HG11 VAL 53 -7.734 22.318 -8.783 401 HG12 VAL 53 HG12 VAL 53 -9.155 22.085 -9.818 402 HG13 VAL 53 HG13 VAL 53 -7.869 23.189 -10.329 403 HG21 VAL 53 HG21 VAL 53 -9.231 22.999 -6.816 404 HG22 VAL 53 HG22 VAL 53 -10.523 24.190 -7.086 405 HG23 VAL 53 HG23 VAL 53 -10.591 22.619 -7.885 406 H GLU 54 H GLU 54 -8.387 27.224 -9.847 407 HA GLU 54 HA GLU 54 -9.327 29.277 -9.756 408 HB2 GLU 54 HB1 GLU 54 -11.273 28.095 -7.756 409 HB3 GLU 54 HB2 GLU 54 -11.520 29.570 -8.714 410 HG2 GLU 54 HG1 GLU 54 -11.789 28.293 -10.740 411 HG3 GLU 54 HG2 GLU 54 -11.336 26.782 -9.914 412 H GLY 55 H GLY 55 -7.433 28.424 -7.441 413 HA2 GLY 55 HA3 GLY 55 -6.383 29.654 -5.698 414 HA3 GLY 55 HA2 GLY 55 -7.699 30.849 -5.760 415 H LYS 56 H LYS 56 -8.391 27.428 -5.596 416 HA LYS 56 HA LYS 56 -9.148 27.567 -2.729 417 HB2 LYS 56 HB1 LYS 56 -10.621 25.982 -4.858 418 HB3 LYS 56 HB2 LYS 56 -11.138 26.285 -3.193 419 HG2 LYS 56 HG1 LYS 56 -11.701 28.575 -3.717 420 HG3 LYS 56 HG2 LYS 56 -10.925 28.472 -5.322 421 HD2 LYS 56 HD1 LYS 56 -12.557 26.676 -5.942 422 HD3 LYS 56 HD2 LYS 56 -13.431 26.993 -4.437 423 HE2 LYS 56 HE1 LYS 56 -13.914 29.283 -5.144 424 HE3 LYS 56 HE2 LYS 56 -12.789 29.111 -6.533 425 HZ1 LYS 56 HZ1 LYS 56 -14.295 27.317 -7.313 426 HZ2 LYS 56 HZ2 LYS 56 -14.821 28.768 -7.505 427 HZ3 LYS 56 HZ3 LYS 56 -15.452 27.844 -6.253 428 H LYS 57 H LYS 57 -7.834 26.211 -1.685 429 HA LYS 57 HA LYS 57 -6.382 24.167 -2.868 430 HB2 LYS 57 HB1 LYS 57 -5.417 23.829 -0.704 431 HB3 LYS 57 HB2 LYS 57 -5.652 25.571 -1.019 432 HG2 LYS 57 HG1 LYS 57 -6.357 25.539 1.130 433 HG3 LYS 57 HG2 LYS 57 -7.896 25.124 0.375 434 HD2 LYS 57 HD1 LYS 57 -6.935 22.633 0.640 435 HD3 LYS 57 HD2 LYS 57 -5.912 23.402 1.876 436 HE2 LYS 57 HE1 LYS 57 -7.878 22.445 2.940 437 HE3 LYS 57 HE2 LYS 57 -7.990 24.208 3.025 438 HZ1 LYS 57 HZ1 LYS 57 -9.280 22.597 0.895 439 HZ2 LYS 57 HZ2 LYS 57 -9.544 24.156 1.220 440 HZ3 LYS 57 HZ3 LYS 57 -10.072 23.017 2.292 441 H VAL 58 H VAL 58 -6.801 22.222 -3.413 442 HA VAL 58 HA VAL 58 -8.924 20.593 -2.080 443 HB VAL 58 HB VAL 58 -8.153 20.883 -5.017 444 HG11 VAL 58 HG11 VAL 58 -10.004 18.803 -3.783 445 HG12 VAL 58 HG12 VAL 58 -9.969 19.224 -5.509 446 HG13 VAL 58 HG13 VAL 58 -8.542 18.518 -4.767 447 HG21 VAL 58 HG21 VAL 58 -10.564 21.481 -5.259 448 HG22 VAL 58 HG22 VAL 58 -10.772 21.321 -3.504 449 HG23 VAL 58 HG23 VAL 58 -9.726 22.590 -4.175 450 H MET 59 H MET 59 -8.535 18.280 -2.326 451 HA MET 59 HA MET 59 -5.670 17.458 -2.360 452 HB2 MET 59 HB1 MET 59 -7.782 16.759 -0.298 453 HB3 MET 59 HB2 MET 59 -6.318 15.772 -0.551 454 HG2 MET 59 HG1 MET 59 -4.879 17.628 -0.055 455 HG3 MET 59 HG2 MET 59 -6.238 18.756 0.017 456 HE1 MET 59 HE1 MET 59 -4.244 16.878 3.448 457 HE2 MET 59 HE2 MET 59 -3.990 16.256 1.807 458 HE3 MET 59 HE3 MET 59 -3.726 17.984 2.159 459 H GLY 60 H GLY 60 -5.338 15.239 -2.895 460 HA2 GLY 60 HA3 GLY 60 -7.470 13.867 -4.385 461 HA3 GLY 60 HA2 GLY 60 -6.161 14.582 -5.355 462 H MET 61 H MET 61 -6.235 12.172 -5.892 463 HA MET 61 HA MET 61 -4.008 10.775 -4.602 464 HB2 MET 61 HB1 MET 61 -5.861 10.048 -3.254 465 HB3 MET 61 HB2 MET 61 -6.898 9.871 -4.684 466 HG2 MET 61 HG1 MET 61 -5.264 8.028 -5.389 467 HG3 MET 61 HG2 MET 61 -4.667 8.093 -3.740 468 HE1 MET 61 HE1 MET 61 -8.274 8.801 -2.941 469 HE2 MET 61 HE2 MET 61 -8.372 7.279 -2.033 470 HE3 MET 61 HE3 MET 61 -6.955 8.338 -1.828 471 H ARG 62 H ARG 62 -3.098 9.208 -6.050 472 HA ARG 62 HA ARG 62 -4.370 8.488 -8.544 473 HB2 ARG 62 HB1 ARG 62 -2.728 9.470 -10.084 474 HB3 ARG 62 HB2 ARG 62 -3.651 10.733 -9.242 475 HG2 ARG 62 HG1 ARG 62 -1.853 11.467 -8.037 476 HG3 ARG 62 HG2 ARG 62 -0.996 9.919 -8.097 477 HD2 ARG 62 HD1 ARG 62 -1.391 11.351 -10.681 478 HD3 ARG 62 HD2 ARG 62 -0.224 12.023 -9.527 479 HE ARG 62 HE ARG 62 -0.126 9.213 -10.601 480 HH11 ARG 62 HH12 ARG 62 1.594 11.647 -8.751 481 HH12 ARG 62 HH11 ARG 62 3.084 10.957 -9.063 482 HH21 ARG 62 HH22 ARG 62 1.804 8.258 -10.740 483 HH22 ARG 62 HH21 ARG 62 3.253 9.083 -10.221 484 HA PRO 63 HA PRO 63 -1.379 5.257 -8.023 485 HB2 PRO 63 HB1 PRO 63 -1.050 4.131 -10.473 486 HB3 PRO 63 HB2 PRO 63 -2.557 3.962 -9.526 487 HG2 PRO 63 HG1 PRO 63 -1.959 5.974 -11.714 488 HG3 PRO 63 HG2 PRO 63 -3.409 4.920 -11.542 489 HD2 PRO 63 HD1 PRO 63 -3.425 7.514 -10.699 490 HD3 PRO 63 HD2 PRO 63 -4.257 6.232 -9.766 491 H VAL 64 H VAL 64 0.787 4.753 -8.068 492 HA VAL 64 HA VAL 64 2.552 6.680 -9.550 493 HB VAL 64 HB VAL 64 4.029 5.826 -7.317 494 HG11 VAL 64 HG11 VAL 64 4.092 8.067 -8.428 495 HG12 VAL 64 HG12 VAL 64 2.514 8.434 -7.715 496 HG13 VAL 64 HG13 VAL 64 3.936 8.203 -6.672 497 HG21 VAL 64 HG21 VAL 64 1.912 5.182 -6.107 498 HG22 VAL 64 HG22 VAL 64 2.779 6.512 -5.341 499 HG23 VAL 64 HG23 VAL 64 1.342 6.836 -6.333 500 HA PRO 65 HA PRO 65 4.424 3.189 -11.272 501 HB2 PRO 65 HB1 PRO 65 6.959 3.885 -11.858 502 HB3 PRO 65 HB2 PRO 65 5.560 4.770 -12.541 503 HG2 PRO 65 HG1 PRO 65 7.246 5.532 -10.142 504 HG3 PRO 65 HG2 PRO 65 6.753 6.570 -11.526 505 HD2 PRO 65 HD1 PRO 65 5.409 6.505 -9.115 506 HD3 PRO 65 HD2 PRO 65 4.589 6.824 -10.663 507 H PHE 66 H PHE 66 6.179 4.314 -8.388 508 HA PHE 66 HA PHE 66 6.419 1.788 -7.180 509 HB2 PHE 66 HB1 PHE 66 8.821 1.385 -7.312 510 HB3 PHE 66 HB2 PHE 66 8.097 1.273 -8.906 511 HD1 PHE 66 HD2 PHE 66 10.254 3.301 -6.676 512 HD2 PHE 66 HD1 PHE 66 8.670 2.839 -10.641 513 HE1 PHE 66 HE2 PHE 66 11.767 5.065 -7.433 514 HE2 PHE 66 HE1 PHE 66 10.285 4.575 -11.471 515 HZ PHE 66 HZ PHE 66 11.830 5.698 -9.866 516 H LEU 67 H LEU 67 7.823 1.869 -5.269 517 HA LEU 67 HA LEU 67 8.532 4.620 -4.308 518 HB2 LEU 67 HB1 LEU 67 8.013 2.163 -2.590 519 HB3 LEU 67 HB2 LEU 67 8.341 3.801 -2.019 520 HG LEU 67 HG LEU 67 5.837 2.695 -3.308 521 HD11 LEU 67 HD11 LEU 67 6.370 4.036 -0.635 522 HD12 LEU 67 HD12 LEU 67 6.163 2.292 -0.904 523 HD13 LEU 67 HD13 LEU 67 4.806 3.398 -1.207 524 HD21 LEU 67 HD21 LEU 67 6.102 4.952 -4.257 525 HD22 LEU 67 HD22 LEU 67 6.381 5.620 -2.632 526 HD23 LEU 67 HD23 LEU 67 4.801 4.926 -3.074 527 H GLU 68 H GLU 68 10.500 4.724 -3.098 528 HA GLU 68 HA GLU 68 12.527 2.626 -3.757 529 HB2 GLU 68 HB1 GLU 68 12.892 4.809 -4.930 530 HB3 GLU 68 HB2 GLU 68 12.884 5.628 -3.348 531 HG2 GLU 68 HG1 GLU 68 15.141 5.419 -3.816 532 HG3 GLU 68 HG2 GLU 68 14.871 4.062 -2.742 533 H VAL 69 H VAL 69 13.793 1.960 -1.998 534 HA VAL 69 HA VAL 69 13.633 3.588 0.431 535 HB VAL 69 HB VAL 69 13.208 0.555 0.524 536 HG11 VAL 69 HG11 VAL 69 14.532 1.294 2.501 537 HG12 VAL 69 HG12 VAL 69 13.308 2.527 2.866 538 HG13 VAL 69 HG13 VAL 69 12.909 0.803 2.969 539 HG21 VAL 69 HG21 VAL 69 11.006 1.264 1.660 540 HG22 VAL 69 HG22 VAL 69 11.357 2.911 1.173 541 HG23 VAL 69 HG23 VAL 69 11.108 1.646 -0.061 542 HA PRO 70 HA PRO 70 17.993 2.964 0.077 543 HB2 PRO 70 HB1 PRO 70 18.894 4.370 2.235 544 HB3 PRO 70 HB2 PRO 70 18.151 5.162 0.814 545 HG2 PRO 70 HG1 PRO 70 16.799 4.378 3.418 546 HG3 PRO 70 HG2 PRO 70 16.755 5.977 2.590 547 HD2 PRO 70 HD1 PRO 70 14.769 4.147 2.262 548 HD3 PRO 70 HD2 PRO 70 15.329 5.146 0.892 549 HA PRO 71 HA PRO 71 19.187 -0.579 2.333 550 HB2 PRO 71 HB1 PRO 71 21.842 -0.128 2.985 551 HB3 PRO 71 HB2 PRO 71 21.184 -0.656 1.404 552 HG2 PRO 71 HG1 PRO 71 21.944 2.127 2.269 553 HG3 PRO 71 HG2 PRO 71 22.295 1.298 0.703 554 HD2 PRO 71 HD1 PRO 71 20.244 3.050 0.926 555 HD3 PRO 71 HD2 PRO 71 20.073 1.550 -0.031 556 H LYS 72 H LYS 72 19.233 -1.520 4.288 557 HA LYS 72 HA LYS 72 18.888 -1.812 6.485 558 HB2 LYS 72 HB1 LYS 72 20.790 0.528 6.795 559 HB3 LYS 72 HB2 LYS 72 20.388 -0.652 8.059 560 HG2 LYS 72 HG1 LYS 72 21.686 -1.367 5.399 561 HG3 LYS 72 HG2 LYS 72 22.571 -1.029 6.906 562 HD2 LYS 72 HD1 LYS 72 21.701 -2.979 7.967 563 HD3 LYS 72 HD2 LYS 72 20.448 -3.204 6.710 564 HE2 LYS 72 HE1 LYS 72 22.110 -4.866 6.391 565 HE3 LYS 72 HE2 LYS 72 22.171 -3.702 5.052 566 HZ1 LYS 72 HZ1 LYS 72 24.343 -4.309 5.793 567 HZ2 LYS 72 HZ2 LYS 72 24.074 -3.736 7.333 568 HZ3 LYS 72 HZ3 LYS 72 24.140 -2.764 5.980 569 H GLY 73 H GLY 73 17.657 0.831 5.092 570 HA2 GLY 73 HA3 GLY 73 16.395 2.136 7.354 571 HA3 GLY 73 HA2 GLY 73 16.044 2.410 5.632 572 H ARG 74 H ARG 74 14.004 2.599 7.243 573 HA ARG 74 HA ARG 74 12.234 0.574 6.208 574 HB2 ARG 74 HB1 ARG 74 11.184 -0.078 8.305 575 HB3 ARG 74 HB2 ARG 74 12.912 -0.529 8.270 576 HG2 ARG 74 HG1 ARG 74 12.896 0.283 10.360 577 HG3 ARG 74 HG2 ARG 74 13.095 1.848 9.581 578 HD2 ARG 74 HD1 ARG 74 11.277 2.463 10.788 579 HD3 ARG 74 HD2 ARG 74 10.342 1.522 9.616 580 HE ARG 74 HE ARG 74 11.441 -0.084 11.778 581 HH11 ARG 74 HH12 ARG 74 8.566 1.919 11.030 582 HH12 ARG 74 HH11 ARG 74 7.615 1.002 12.182 583 HH21 ARG 74 HH22 ARG 74 10.115 -1.057 13.282 584 HH22 ARG 74 HH21 ARG 74 8.463 -0.539 13.431 585 H VAL 75 H VAL 75 10.326 1.538 5.681 586 HA VAL 75 HA VAL 75 9.717 4.326 6.530 587 HB VAL 75 HB VAL 75 10.378 3.625 3.631 588 HG11 VAL 75 HG11 VAL 75 8.666 5.373 3.745 589 HG12 VAL 75 HG12 VAL 75 9.614 6.275 4.949 590 HG13 VAL 75 HG13 VAL 75 10.193 6.109 3.277 591 HG21 VAL 75 HG21 VAL 75 11.991 5.321 5.591 592 HG22 VAL 75 HG22 VAL 75 12.497 3.778 4.864 593 HG23 VAL 75 HG23 VAL 75 12.301 5.201 3.846 594 H GLU 76 H GLU 76 7.516 4.916 5.917 595 HA GLU 76 HA GLU 76 5.912 2.440 5.548 596 HB2 GLU 76 HB1 GLU 76 4.379 4.655 6.523 597 HB3 GLU 76 HB2 GLU 76 4.654 3.046 7.222 598 HG2 GLU 76 HG1 GLU 76 6.353 3.822 8.623 599 HG3 GLU 76 HG2 GLU 76 6.710 5.243 7.612 600 H LEU 77 H LEU 77 4.282 2.227 4.163 601 HA LEU 77 HA LEU 77 3.428 4.381 2.331 602 HB2 LEU 77 HB1 LEU 77 2.439 1.561 2.911 603 HB3 LEU 77 HB2 LEU 77 1.534 2.744 1.921 604 HG LEU 77 HG LEU 77 4.007 2.882 0.780 605 HD11 LEU 77 HD11 LEU 77 4.913 0.660 0.434 606 HD12 LEU 77 HD12 LEU 77 3.618 -0.066 1.392 607 HD13 LEU 77 HD13 LEU 77 4.843 0.959 2.179 608 HD21 LEU 77 HD21 LEU 77 1.706 1.037 0.057 609 HD22 LEU 77 HD22 LEU 77 3.053 1.438 -1.037 610 HD23 LEU 77 HD23 LEU 77 1.959 2.711 -0.479 611 H LYS 78 H LYS 78 3.265 5.906 4.004 612 HA LYS 78 HA LYS 78 1.649 5.445 6.284 613 HB2 LYS 78 HB1 LYS 78 2.045 7.807 6.800 614 HB3 LYS 78 HB2 LYS 78 3.522 6.949 6.291 615 HG2 LYS 78 HG1 LYS 78 3.484 8.019 4.141 616 HG3 LYS 78 HG2 LYS 78 1.893 8.751 4.455 617 HD2 LYS 78 HD1 LYS 78 3.667 10.383 4.641 618 HD3 LYS 78 HD2 LYS 78 2.815 10.196 6.166 619 HE2 LYS 78 HE1 LYS 78 5.380 8.659 5.637 620 HE3 LYS 78 HE2 LYS 78 5.451 10.389 6.063 621 HZ1 LYS 78 HZ1 LYS 78 5.641 9.101 8.048 622 HZ2 LYS 78 HZ2 LYS 78 4.407 8.158 7.710 623 HZ3 LYS 78 HZ3 LYS 78 4.114 9.726 8.089 624 HA PRO 79 HA PRO 79 -2.460 6.905 4.978 625 HB2 PRO 79 HB1 PRO 79 -3.364 7.913 7.360 626 HB3 PRO 79 HB2 PRO 79 -3.348 6.162 6.983 627 HG2 PRO 79 HG1 PRO 79 -1.277 7.751 8.524 628 HG3 PRO 79 HG2 PRO 79 -2.041 6.192 8.988 629 HD2 PRO 79 HD1 PRO 79 0.407 6.277 7.807 630 HD3 PRO 79 HD2 PRO 79 -0.767 5.000 7.379 631 H GLY 80 H GLY 80 -2.945 8.798 4.060 632 HA2 GLY 80 HA3 GLY 80 -3.064 11.132 3.863 633 HA3 GLY 80 HA2 GLY 80 -1.719 11.298 5.015 634 H GLY 81 H GLY 81 -0.279 9.098 3.066 635 HA2 GLY 81 HA3 GLY 81 0.063 10.944 0.765 636 HA3 GLY 81 HA2 GLY 81 1.507 10.564 1.730 637 H TYR 82 H TYR 82 0.887 7.657 1.908 638 HA TYR 82 HA TYR 82 0.804 6.815 -0.951 639 HB2 TYR 82 HB1 TYR 82 3.079 6.151 0.920 640 HB3 TYR 82 HB2 TYR 82 2.738 5.294 -0.599 641 HD1 TYR 82 HD1 TYR 82 2.823 6.496 -2.771 642 HD2 TYR 82 HD2 TYR 82 4.115 8.328 0.904 643 HE1 TYR 82 HE1 TYR 82 4.073 8.189 -4.071 644 HE2 TYR 82 HE2 TYR 82 5.279 10.097 -0.388 645 HH TYR 82 HH TYR 82 5.299 10.103 -3.975 646 H HIS 83 H HIS 83 0.024 4.790 -1.344 647 HA HIS 83 HA HIS 83 -0.419 2.869 0.782 648 HB2 HIS 83 HB1 HIS 83 -2.845 2.984 0.946 649 HB3 HIS 83 HB2 HIS 83 -2.072 4.437 1.581 650 HD1 HIS 83 HD1 HIS 83 -2.243 6.658 -0.185 651 HD2 HIS 83 HD2 HIS 83 -4.528 3.228 -1.049 652 HE1 HIS 83 HE1 HIS 83 -3.880 7.340 -1.984 653 H PHE 84 H PHE 84 -1.412 0.921 0.070 654 HA PHE 84 HA PHE 84 -1.508 0.582 -2.874 655 HB2 PHE 84 HB1 PHE 84 -1.711 -1.329 -0.545 656 HB3 PHE 84 HB2 PHE 84 -2.127 -1.795 -2.214 657 HD1 PHE 84 HD2 PHE 84 -0.403 -1.580 -4.039 658 HD2 PHE 84 HD1 PHE 84 0.623 -1.241 0.135 659 HE1 PHE 84 HE2 PHE 84 1.968 -2.031 -4.586 660 HE2 PHE 84 HE1 PHE 84 2.992 -1.720 -0.415 661 HZ PHE 84 HZ PHE 84 3.662 -2.126 -2.781 662 H MET 85 H MET 85 -3.362 0.241 -3.981 663 HA MET 85 HA MET 85 -6.026 0.494 -2.644 664 HB2 MET 85 HB1 MET 85 -5.175 2.070 -4.661 665 HB3 MET 85 HB2 MET 85 -5.842 0.697 -5.575 666 HG2 MET 85 HG1 MET 85 -7.672 2.130 -5.301 667 HG3 MET 85 HG2 MET 85 -7.907 0.888 -4.070 668 HE1 MET 85 HE1 MET 85 -9.663 3.469 -3.857 669 HE2 MET 85 HE2 MET 85 -9.582 2.073 -2.756 670 HE3 MET 85 HE3 MET 85 -9.497 3.724 -2.101 671 H LEU 86 H LEU 86 -7.155 -1.368 -2.707 672 HA LEU 86 HA LEU 86 -6.065 -3.707 -4.253 673 HB2 LEU 86 HB1 LEU 86 -7.593 -3.533 -1.640 674 HB3 LEU 86 HB2 LEU 86 -7.406 -5.040 -2.591 675 HG LEU 86 HG LEU 86 -4.999 -4.991 -2.258 676 HD11 LEU 86 HD11 LEU 86 -4.004 -3.490 -0.496 677 HD12 LEU 86 HD12 LEU 86 -5.479 -2.501 -0.554 678 HD13 LEU 86 HD13 LEU 86 -4.421 -2.649 -1.980 679 HD21 LEU 86 HD21 LEU 86 -6.585 -4.674 0.335 680 HD22 LEU 86 HD22 LEU 86 -5.051 -5.552 0.150 681 HD23 LEU 86 HD23 LEU 86 -6.512 -6.148 -0.655 682 H LEU 87 H LEU 87 -7.317 -4.603 -5.775 683 HA LEU 87 HA LEU 87 -10.131 -3.623 -6.068 684 HB2 LEU 87 HB1 LEU 87 -7.937 -4.213 -8.070 685 HB3 LEU 87 HB2 LEU 87 -9.638 -4.059 -8.545 686 HG LEU 87 HG LEU 87 -8.446 -2.082 -9.120 687 HD11 LEU 87 HD11 LEU 87 -10.160 -1.447 -6.684 688 HD12 LEU 87 HD12 LEU 87 -10.787 -1.820 -8.312 689 HD13 LEU 87 HD13 LEU 87 -9.798 -0.370 -8.046 690 HD21 LEU 87 HD21 LEU 87 -7.249 -0.646 -7.663 691 HD22 LEU 87 HD22 LEU 87 -6.636 -2.285 -7.349 692 HD23 LEU 87 HD23 LEU 87 -7.785 -1.518 -6.222 693 H GLY 88 H GLY 88 -11.633 -5.035 -6.142 694 HA2 GLY 88 HA3 GLY 88 -12.857 -6.924 -6.696 695 HA3 GLY 88 HA2 GLY 88 -11.441 -7.527 -7.588 696 H LEU 89 H LEU 89 -11.805 -6.831 -4.080 697 HA LEU 89 HA LEU 89 -10.462 -9.052 -3.212 698 HB2 LEU 89 HB1 LEU 89 -11.683 -8.798 -1.008 699 HB3 LEU 89 HB2 LEU 89 -10.675 -7.476 -1.618 700 HG LEU 89 HG LEU 89 -12.687 -6.208 -2.212 701 HD11 LEU 89 HD11 LEU 89 -14.229 -8.618 -1.156 702 HD12 LEU 89 HD12 LEU 89 -14.306 -7.911 -2.781 703 HD13 LEU 89 HD13 LEU 89 -14.939 -7.012 -1.401 704 HD21 LEU 89 HD21 LEU 89 -12.720 -7.273 0.634 705 HD22 LEU 89 HD22 LEU 89 -13.461 -5.757 0.085 706 HD23 LEU 89 HD23 LEU 89 -11.704 -5.955 0.014 707 H LYS 90 H LYS 90 -10.806 -10.850 -2.131 708 HA LYS 90 HA LYS 90 -12.921 -12.549 -3.393 709 HB2 LYS 90 HB1 LYS 90 -10.246 -13.374 -2.264 710 HB3 LYS 90 HB2 LYS 90 -11.358 -14.377 -3.218 711 HG2 LYS 90 HG1 LYS 90 -9.819 -11.931 -4.183 712 HG3 LYS 90 HG2 LYS 90 -9.514 -13.640 -4.593 713 HD2 LYS 90 HD1 LYS 90 -11.632 -13.769 -5.783 714 HD3 LYS 90 HD2 LYS 90 -12.013 -12.083 -5.323 715 HE2 LYS 90 HE1 LYS 90 -11.274 -12.321 -7.671 716 HE3 LYS 90 HE2 LYS 90 -10.299 -11.197 -6.694 717 HZ1 LYS 90 HZ1 LYS 90 -9.474 -13.979 -7.279 718 HZ2 LYS 90 HZ2 LYS 90 -8.587 -12.757 -6.591 719 HZ3 LYS 90 HZ3 LYS 90 -9.002 -12.654 -8.150 720 H ARG 91 H ARG 91 -12.574 -11.110 -0.555 721 HA ARG 91 HA ARG 91 -14.586 -12.817 0.713 722 HB2 ARG 91 HB1 ARG 91 -12.025 -11.853 2.066 723 HB3 ARG 91 HB2 ARG 91 -13.454 -12.374 2.979 724 HG2 ARG 91 HG1 ARG 91 -11.913 -14.157 1.069 725 HG3 ARG 91 HG2 ARG 91 -11.668 -14.086 2.838 726 HD2 ARG 91 HD1 ARG 91 -14.020 -14.723 3.193 727 HD3 ARG 91 HD2 ARG 91 -14.288 -14.815 1.449 728 HE ARG 91 HE ARG 91 -12.819 -16.701 3.167 729 HH11 ARG 91 HH12 ARG 91 -13.441 -15.789 -0.202 730 HH12 ARG 91 HH11 ARG 91 -13.206 -17.408 -0.781 731 HH21 ARG 91 HH22 ARG 91 -12.378 -18.738 2.328 732 HH22 ARG 91 HH21 ARG 91 -12.549 -19.037 0.626 733 HA PRO 92 HA PRO 92 -15.767 -8.477 1.862 734 HB2 PRO 92 HB1 PRO 92 -17.844 -9.059 3.510 735 HB3 PRO 92 HB2 PRO 92 -18.029 -9.101 1.730 736 HG2 PRO 92 HG1 PRO 92 -17.519 -11.425 3.608 737 HG3 PRO 92 HG2 PRO 92 -18.731 -11.316 2.281 738 HD2 PRO 92 HD1 PRO 92 -16.265 -12.531 1.999 739 HD3 PRO 92 HD2 PRO 92 -17.089 -11.703 0.650 740 H LEU 93 H LEU 93 -15.452 -7.467 4.028 741 HA LEU 93 HA LEU 93 -14.106 -9.166 6.013 742 HB2 LEU 93 HB1 LEU 93 -12.432 -7.050 5.999 743 HB3 LEU 93 HB2 LEU 93 -12.135 -8.599 5.163 744 HG LEU 93 HG LEU 93 -12.833 -7.555 3.031 745 HD11 LEU 93 HD11 LEU 93 -12.962 -4.981 4.669 746 HD12 LEU 93 HD12 LEU 93 -14.299 -5.730 3.772 747 HD13 LEU 93 HD13 LEU 93 -12.929 -5.053 2.892 748 HD21 LEU 93 HD21 LEU 93 -10.625 -6.065 4.516 749 HD22 LEU 93 HD22 LEU 93 -10.797 -6.211 2.753 750 HD23 LEU 93 HD23 LEU 93 -10.464 -7.649 3.726 751 H LYS 94 H LYS 94 -14.877 -8.683 7.965 752 HA LYS 94 HA LYS 94 -16.728 -6.377 8.006 753 HB2 LYS 94 HB1 LYS 94 -18.016 -7.328 9.609 754 HB3 LYS 94 HB2 LYS 94 -17.480 -8.717 8.688 755 HG2 LYS 94 HG1 LYS 94 -16.185 -7.842 11.308 756 HG3 LYS 94 HG2 LYS 94 -17.615 -8.924 11.214 757 HD2 LYS 94 HD1 LYS 94 -16.249 -10.635 11.101 758 HD3 LYS 94 HD2 LYS 94 -15.756 -10.060 9.486 759 HE2 LYS 94 HE1 LYS 94 -13.846 -10.585 10.854 760 HE3 LYS 94 HE2 LYS 94 -13.883 -8.877 10.406 761 HZ1 LYS 94 HZ1 LYS 94 -14.466 -8.331 12.595 762 HZ2 LYS 94 HZ2 LYS 94 -13.175 -9.317 12.644 763 HZ3 LYS 94 HZ3 LYS 94 -14.647 -9.940 13.050 764 H ALA 95 H ALA 95 -13.988 -6.113 8.357 765 HA ALA 95 HA ALA 95 -12.308 -4.945 9.375 766 HB1 ALA 95 HB1 ALA 95 -12.784 -2.990 10.710 767 HB2 ALA 95 HB2 ALA 95 -13.926 -3.075 9.347 768 HB3 ALA 95 HB3 ALA 95 -14.456 -3.524 10.983 769 H GLY 96 H GLY 96 -11.013 -4.883 11.335 770 HA2 GLY 96 HA3 GLY 96 -10.038 -6.114 13.056 771 HA3 GLY 96 HA2 GLY 96 -11.667 -6.550 13.617 772 H GLU 97 H GLU 97 -9.788 -7.086 10.667 773 HA GLU 97 HA GLU 97 -10.115 -10.054 10.779 774 HB2 GLU 97 HB1 GLU 97 -9.856 -8.345 8.289 775 HB3 GLU 97 HB2 GLU 97 -10.112 -10.083 8.321 776 HG2 GLU 97 HG1 GLU 97 -12.209 -8.254 9.457 777 HG3 GLU 97 HG2 GLU 97 -12.007 -8.442 7.694 778 H GLU 98 H GLU 98 -8.217 -10.840 9.039 779 HA GLU 98 HA GLU 98 -5.888 -9.257 8.941 780 HB2 GLU 98 HB1 GLU 98 -4.398 -10.827 10.102 781 HB3 GLU 98 HB2 GLU 98 -5.531 -10.038 11.217 782 HG2 GLU 98 HG1 GLU 98 -6.915 -12.098 11.246 783 HG3 GLU 98 HG2 GLU 98 -5.762 -12.883 10.142 784 H VAL 99 H VAL 99 -4.736 -9.860 7.293 785 HA VAL 99 HA VAL 99 -5.074 -12.428 5.894 786 HB VAL 99 HB VAL 99 -5.616 -9.967 4.210 787 HG11 VAL 99 HG11 VAL 99 -6.141 -12.955 3.888 788 HG12 VAL 99 HG12 VAL 99 -6.752 -11.734 2.770 789 HG13 VAL 99 HG13 VAL 99 -5.014 -11.946 2.953 790 HG21 VAL 99 HG21 VAL 99 -7.484 -9.913 5.817 791 HG22 VAL 99 HG22 VAL 99 -8.020 -10.363 4.201 792 HG23 VAL 99 HG23 VAL 99 -7.853 -11.617 5.441 793 H GLU 100 H GLU 100 -3.429 -12.798 4.289 794 HA GLU 100 HA GLU 100 -0.984 -11.321 4.821 795 HB2 GLU 100 HB1 GLU 100 0.086 -12.966 3.380 796 HB3 GLU 100 HB2 GLU 100 -0.847 -13.703 4.696 797 HG2 GLU 100 HG1 GLU 100 -2.233 -14.780 3.265 798 HG3 GLU 100 HG2 GLU 100 -2.348 -13.397 2.159 799 H LEU 101 H LEU 101 0.371 -10.336 3.424 800 HA LEU 101 HA LEU 101 -0.584 -9.560 0.724 801 HB2 LEU 101 HB1 LEU 101 0.097 -7.769 2.970 802 HB3 LEU 101 HB2 LEU 101 1.111 -7.491 1.522 803 HG LEU 101 HG LEU 101 -1.107 -7.391 0.209 804 HD11 LEU 101 HD11 LEU 101 -2.633 -8.231 1.974 805 HD12 LEU 101 HD12 LEU 101 -3.065 -6.591 1.490 806 HD13 LEU 101 HD13 LEU 101 -2.196 -6.868 3.016 807 HD21 LEU 101 HD21 LEU 101 -1.369 -5.009 0.702 808 HD22 LEU 101 HD22 LEU 101 0.337 -5.468 0.590 809 HD23 LEU 101 HD23 LEU 101 -0.405 -5.197 2.186 810 H ASP 102 H ASP 102 0.899 -9.590 -0.807 811 HA ASP 102 HA ASP 102 3.733 -10.416 -0.267 812 HB2 ASP 102 HB1 ASP 102 1.767 -11.039 -2.373 813 HB3 ASP 102 HB2 ASP 102 3.269 -10.390 -3.047 814 H LEU 103 H LEU 103 5.329 -9.063 -1.010 815 HA LEU 103 HA LEU 103 4.541 -6.487 -2.334 816 HB2 LEU 103 HB1 LEU 103 6.714 -7.120 -0.316 817 HB3 LEU 103 HB2 LEU 103 6.605 -5.606 -1.257 818 HG LEU 103 HG LEU 103 4.168 -5.489 -0.211 819 HD11 LEU 103 HD11 LEU 103 5.650 -7.194 1.855 820 HD12 LEU 103 HD12 LEU 103 4.153 -7.645 1.020 821 HD13 LEU 103 HD13 LEU 103 4.147 -6.296 2.146 822 HD21 LEU 103 HD21 LEU 103 6.719 -4.909 1.342 823 HD22 LEU 103 HD22 LEU 103 5.120 -4.229 1.706 824 HD23 LEU 103 HD23 LEU 103 5.902 -3.840 0.171 825 H LEU 104 H LEU 104 5.527 -5.962 -4.204 826 HA LEU 104 HA LEU 104 7.435 -7.930 -5.390 827 HB2 LEU 104 HB1 LEU 104 5.435 -6.038 -6.675 828 HB3 LEU 104 HB2 LEU 104 6.468 -7.158 -7.546 829 HG LEU 104 HG LEU 104 4.154 -7.834 -5.682 830 HD11 LEU 104 HD11 LEU 104 4.499 -8.206 -8.687 831 HD12 LEU 104 HD12 LEU 104 3.469 -6.998 -7.891 832 HD13 LEU 104 HD13 LEU 104 3.093 -8.718 -7.728 833 HD21 LEU 104 HD21 LEU 104 5.978 -9.746 -7.220 834 HD22 LEU 104 HD22 LEU 104 4.490 -10.205 -6.359 835 HD23 LEU 104 HD23 LEU 104 5.873 -9.585 -5.456 836 H PHE 105 H PHE 105 9.421 -7.261 -5.738 837 HA PHE 105 HA PHE 105 10.007 -4.319 -5.764 838 HB2 PHE 105 HB1 PHE 105 11.586 -6.669 -4.717 839 HB3 PHE 105 HB2 PHE 105 12.182 -5.008 -4.786 840 HD1 PHE 105 HD1 PHE 105 9.850 -7.352 -3.092 841 HD2 PHE 105 HD2 PHE 105 11.355 -3.310 -3.229 842 HE1 PHE 105 HE1 PHE 105 9.012 -6.952 -0.805 843 HE2 PHE 105 HE2 PHE 105 10.615 -2.962 -0.907 844 HZ PHE 105 HZ PHE 105 9.403 -4.764 0.310 845 H ALA 106 H ALA 106 11.647 -3.565 -7.161 846 HA ALA 106 HA ALA 106 11.961 -4.773 -9.699 847 HB1 ALA 106 HB1 ALA 106 12.294 -2.352 -9.195 848 HB2 ALA 106 HB2 ALA 106 13.812 -2.761 -8.356 849 HB3 ALA 106 HB3 ALA 106 13.651 -3.049 -10.097 850 H GLY 107 H GLY 107 13.403 -6.173 -10.609 851 HA2 GLY 107 HA3 GLY 107 15.337 -7.449 -10.863 852 HA3 GLY 107 HA2 GLY 107 15.892 -6.927 -9.256 853 H GLY 108 H GLY 108 12.701 -8.409 -9.779 854 HA2 GLY 108 HA3 GLY 108 11.943 -10.557 -9.624 855 HA3 GLY 108 HA2 GLY 108 13.628 -11.110 -9.502 856 H LYS 109 H LYS 109 12.813 -8.862 -7.031 857 HA LYS 109 HA LYS 109 12.791 -11.099 -5.072 858 HB2 LYS 109 HB1 LYS 109 13.150 -8.114 -4.673 859 HB3 LYS 109 HB2 LYS 109 13.063 -9.328 -3.359 860 HG2 LYS 109 HG1 LYS 109 15.297 -9.383 -3.553 861 HG3 LYS 109 HG2 LYS 109 14.975 -10.449 -4.934 862 HD2 LYS 109 HD1 LYS 109 16.513 -8.856 -5.760 863 HD3 LYS 109 HD2 LYS 109 14.943 -8.279 -6.355 864 HE2 LYS 109 HE1 LYS 109 14.853 -6.703 -4.397 865 HE3 LYS 109 HE2 LYS 109 16.487 -7.236 -3.945 866 HZ1 LYS 109 HZ1 LYS 109 15.682 -5.904 -6.474 867 HZ2 LYS 109 HZ2 LYS 109 17.198 -6.466 -6.173 868 HZ3 LYS 109 HZ3 LYS 109 16.583 -5.228 -5.278 869 H VAL 110 H VAL 110 11.185 -11.621 -3.808 870 HA VAL 110 HA VAL 110 8.762 -9.972 -3.675 871 HB VAL 110 HB VAL 110 8.384 -11.776 -5.282 872 HG11 VAL 110 HG11 VAL 110 8.307 -14.133 -4.667 873 HG12 VAL 110 HG12 VAL 110 9.937 -13.490 -4.421 874 HG13 VAL 110 HG13 VAL 110 8.868 -13.762 -3.027 875 HG21 VAL 110 HG21 VAL 110 6.281 -12.621 -4.431 876 HG22 VAL 110 HG22 VAL 110 6.796 -12.380 -2.752 877 HG23 VAL 110 HG23 VAL 110 6.490 -10.981 -3.794 878 H LEU 111 H LEU 111 7.663 -10.029 -1.679 879 HA LEU 111 HA LEU 111 8.905 -11.541 0.566 880 HB2 LEU 111 HB1 LEU 111 9.880 -9.139 -0.039 881 HB3 LEU 111 HB2 LEU 111 8.464 -8.563 0.839 882 HG LEU 111 HG LEU 111 10.691 -10.347 1.907 883 HD11 LEU 111 HD11 LEU 111 11.321 -7.979 1.536 884 HD12 LEU 111 HD12 LEU 111 11.281 -8.375 3.264 885 HD13 LEU 111 HD13 LEU 111 9.949 -7.453 2.533 886 HD21 LEU 111 HD21 LEU 111 8.237 -9.256 3.358 887 HD22 LEU 111 HD22 LEU 111 9.660 -9.964 4.154 888 HD23 LEU 111 HD23 LEU 111 8.670 -10.967 3.105 889 H LYS 112 H LYS 112 7.270 -12.466 1.723 890 HA LYS 112 HA LYS 112 4.576 -11.327 1.620 891 HB2 LYS 112 HB1 LYS 112 5.196 -13.786 1.299 892 HB3 LYS 112 HB2 LYS 112 5.543 -13.836 3.044 893 HG2 LYS 112 HG1 LYS 112 3.337 -14.665 2.794 894 HG3 LYS 112 HG2 LYS 112 3.150 -13.012 3.407 895 HD2 LYS 112 HD1 LYS 112 1.587 -12.949 1.765 896 HD3 LYS 112 HD2 LYS 112 2.936 -12.460 0.766 897 HE2 LYS 112 HE1 LYS 112 2.013 -15.342 1.081 898 HE3 LYS 112 HE2 LYS 112 1.409 -14.227 -0.173 899 HZ1 LYS 112 HZ1 LYS 112 4.165 -15.208 0.135 900 HZ2 LYS 112 HZ2 LYS 112 3.709 -14.044 -0.936 901 HZ3 LYS 112 HZ3 LYS 112 3.093 -15.546 -1.083 902 H VAL 113 H VAL 113 3.543 -10.331 3.205 903 HA VAL 113 HA VAL 113 4.512 -10.427 6.041 904 HB VAL 113 HB VAL 113 3.464 -8.214 6.419 905 HG11 VAL 113 HG11 VAL 113 5.282 -6.854 5.537 906 HG12 VAL 113 HG12 VAL 113 5.906 -8.418 6.089 907 HG13 VAL 113 HG13 VAL 113 5.698 -8.108 4.351 908 HG21 VAL 113 HG21 VAL 113 1.910 -8.079 4.543 909 HG22 VAL 113 HG22 VAL 113 3.001 -6.684 4.546 910 HG23 VAL 113 HG23 VAL 113 3.252 -8.015 3.397 911 H VAL 114 H VAL 114 2.715 -10.257 7.615 912 HA VAL 114 HA VAL 114 0.017 -10.928 6.519 913 HB VAL 114 HB VAL 114 1.127 -11.836 9.201 914 HG11 VAL 114 HG11 VAL 114 -1.570 -12.325 7.833 915 HG12 VAL 114 HG12 VAL 114 -1.026 -13.127 9.322 916 HG13 VAL 114 HG13 VAL 114 -1.299 -11.383 9.318 917 HG21 VAL 114 HG21 VAL 114 2.100 -13.185 7.387 918 HG22 VAL 114 HG22 VAL 114 0.901 -14.138 8.266 919 HG23 VAL 114 HG23 VAL 114 0.491 -13.442 6.684 920 H LEU 115 H LEU 115 -1.575 -9.515 7.117 921 HA LEU 115 HA LEU 115 -0.862 -7.354 9.048 922 HB2 LEU 115 HB1 LEU 115 -1.991 -7.047 6.245 923 HB3 LEU 115 HB2 LEU 115 -1.808 -5.725 7.415 924 HG LEU 115 HG LEU 115 0.450 -7.332 6.144 925 HD11 LEU 115 HD11 LEU 115 -0.733 -5.819 4.580 926 HD12 LEU 115 HD12 LEU 115 0.912 -5.256 4.905 927 HD13 LEU 115 HD13 LEU 115 -0.469 -4.459 5.690 928 HD21 LEU 115 HD21 LEU 115 1.188 -6.547 8.351 929 HD22 LEU 115 HD22 LEU 115 0.527 -4.944 8.035 930 HD23 LEU 115 HD23 LEU 115 1.927 -5.532 7.112 931 HA PRO 116 HA PRO 116 -5.218 -7.793 10.204 932 HB2 PRO 116 HB1 PRO 116 -5.505 -5.651 11.836 933 HB3 PRO 116 HB2 PRO 116 -4.540 -7.089 12.294 934 HG2 PRO 116 HG1 PRO 116 -3.527 -4.501 11.068 935 HG3 PRO 116 HG2 PRO 116 -2.925 -5.328 12.551 936 HD2 PRO 116 HD1 PRO 116 -1.724 -5.708 10.143 937 HD3 PRO 116 HD2 PRO 116 -1.946 -7.068 11.285 938 H VAL 117 H VAL 117 -7.179 -6.481 10.181 939 HA VAL 117 HA VAL 117 -7.260 -4.237 8.172 940 HB VAL 117 HB VAL 117 -9.465 -6.217 8.847 941 HG11 VAL 117 HG11 VAL 117 -10.391 -4.083 8.104 942 HG12 VAL 117 HG12 VAL 117 -9.365 -4.101 6.661 943 HG13 VAL 117 HG13 VAL 117 -10.634 -5.321 6.875 944 HG21 VAL 117 HG21 VAL 117 -9.048 -7.065 6.465 945 HG22 VAL 117 HG22 VAL 117 -7.504 -6.196 6.511 946 HG23 VAL 117 HG23 VAL 117 -7.814 -7.487 7.657 947 H GLU 118 H GLU 118 -8.088 -2.340 8.876 948 HA GLU 118 HA GLU 118 -9.728 -2.161 11.340 949 HB2 GLU 118 HB1 GLU 118 -7.186 -0.901 10.800 950 HB3 GLU 118 HB2 GLU 118 -8.419 0.359 10.875 951 HG2 GLU 118 HG1 GLU 118 -8.049 -1.770 13.017 952 HG3 GLU 118 HG2 GLU 118 -7.242 -0.184 13.044 953 H ALA 119 H ALA 119 -10.986 -0.087 11.313 954 HA ALA 119 HA ALA 119 -12.735 -0.495 9.054 955 HB1 ALA 119 HB1 ALA 119 -13.319 -0.713 11.480 956 HB2 ALA 119 HB2 ALA 119 -13.157 1.042 11.635 957 HB3 ALA 119 HB3 ALA 119 -14.415 0.347 10.580 958 H ARG 120 H ARG 120 -14.379 1.291 8.719 959 HA ARG 120 HA ARG 120 -13.908 3.907 9.373 960 HB2 ARG 120 HB1 ARG 120 -13.981 5.150 7.334 961 HB3 ARG 120 HB2 ARG 120 -12.520 4.141 7.382 962 HG2 ARG 120 HG1 ARG 120 -13.092 3.940 5.216 963 HG3 ARG 120 HG2 ARG 120 -13.914 2.531 5.820 964 HD2 ARG 120 HD1 ARG 120 -15.267 5.237 5.346 965 HD3 ARG 120 HD2 ARG 120 -15.143 3.963 4.103 966 HE ARG 120 HE ARG 120 -16.249 2.749 6.341 967 HH11 ARG 120 HH12 ARG 120 -17.337 5.632 4.713 968 HH12 ARG 120 HH11 ARG 120 -18.839 5.579 5.603 969 HH21 ARG 120 HH22 ARG 120 -17.839 2.951 7.475 970 HH22 ARG 120 HH21 ARG 120 -19.100 4.080 7.203 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 9.255 -3.916 12.093 2 H2 GLY 1 2H GLY 1 8.119 -3.039 11.318 3 H3 GLY 1 3H GLY 1 8.596 -4.489 10.719 4 HA2 GLY 1 HA3 GLY 1 6.384 -4.536 11.823 5 HA3 GLY 1 HA2 GLY 1 7.573 -5.678 12.492 6 H SER 2 H SER 2 5.370 -4.733 13.935 7 HA SER 2 HA SER 2 5.000 -4.330 16.195 8 HB2 SER 2 HB1 SER 2 7.512 -2.685 16.472 9 HB3 SER 2 HB2 SER 2 6.499 -3.404 17.749 10 HG SER 2 HG SER 2 8.244 -4.644 15.929 11 H PHE 3 H PHE 3 6.083 -1.360 17.038 12 HA PHE 3 HA PHE 3 3.741 0.080 16.001 13 HB2 PHE 3 HB1 PHE 3 6.011 0.810 17.869 14 HB3 PHE 3 HB2 PHE 3 4.734 1.945 17.380 15 HD1 PHE 3 HD1 PHE 3 2.432 1.675 18.106 16 HD2 PHE 3 HD2 PHE 3 5.466 -1.116 19.351 17 HE1 PHE 3 HE1 PHE 3 0.942 0.867 19.930 18 HE2 PHE 3 HE2 PHE 3 3.982 -1.914 21.182 19 HZ PHE 3 HZ PHE 3 1.722 -0.919 21.474 20 H THR 4 H THR 4 5.013 -0.819 14.017 21 HA THR 4 HA THR 4 6.113 1.085 12.183 22 HB THR 4 HB THR 4 8.342 -0.476 12.139 23 HG1 THR 4 HG1 THR 4 8.181 -1.527 14.047 24 HG21 THR 4 HG21 THR 4 9.561 1.361 13.085 25 HG22 THR 4 HG22 THR 4 8.095 2.032 13.820 26 HG23 THR 4 HG23 THR 4 8.254 1.971 12.051 27 H GLU 5 H GLU 5 3.933 -0.211 11.939 28 HA GLU 5 HA GLU 5 4.357 -2.377 10.051 29 HB2 GLU 5 HB1 GLU 5 4.267 -3.242 12.521 30 HB3 GLU 5 HB2 GLU 5 2.530 -3.020 12.332 31 HG2 GLU 5 HG1 GLU 5 2.437 -4.610 10.535 32 HG3 GLU 5 HG2 GLU 5 4.208 -4.571 10.312 33 H GLY 6 H GLY 6 2.169 -2.982 9.068 34 HA2 GLY 6 HA3 GLY 6 0.737 -0.403 8.655 35 HA3 GLY 6 HA2 GLY 6 1.073 -1.616 7.397 36 H TRP 7 H TRP 7 -1.368 -0.858 7.298 37 HA TRP 7 HA TRP 7 -2.860 -3.217 8.134 38 HB2 TRP 7 HB1 TRP 7 -4.661 -2.086 9.209 39 HB3 TRP 7 HB2 TRP 7 -3.155 -1.705 10.047 40 HD1 TRP 7 HD TRP 7 -6.107 -0.149 8.391 41 HE1 TRP 7 HE1 TRP 7 -6.014 2.389 8.614 42 HE3 TRP 7 3HE TRP 7 -1.258 0.359 9.989 43 HZ2 TRP 7 HZ2 TRP 7 -4.064 4.412 9.299 44 HZ3 TRP 7 HZ3 TRP 7 -0.303 2.598 10.385 45 HH2 TRP 7 HH TRP 7 -1.686 4.636 10.055 46 H VAL 8 H VAL 8 -4.862 -3.501 7.020 47 HA VAL 8 HA VAL 8 -5.050 -2.113 4.377 48 HB VAL 8 HB VAL 8 -6.618 -4.495 5.398 49 HG11 VAL 8 HG11 VAL 8 -7.165 -4.837 2.967 50 HG12 VAL 8 HG12 VAL 8 -7.854 -3.359 3.627 51 HG13 VAL 8 HG13 VAL 8 -6.397 -3.275 2.611 52 HG21 VAL 8 HG21 VAL 8 -4.176 -4.433 3.592 53 HG22 VAL 8 HG22 VAL 8 -4.323 -5.207 5.190 54 HG23 VAL 8 HG23 VAL 8 -5.223 -5.847 3.820 55 H ARG 9 H ARG 9 -6.937 -0.895 3.813 56 HA ARG 9 HA ARG 9 -8.487 0.082 6.107 57 HB2 ARG 9 HB1 ARG 9 -7.611 1.577 4.264 58 HB3 ARG 9 HB2 ARG 9 -8.806 0.828 3.180 59 HG2 ARG 9 HG1 ARG 9 -9.729 2.887 3.974 60 HG3 ARG 9 HG2 ARG 9 -10.615 1.572 4.768 61 HD2 ARG 9 HD1 ARG 9 -10.287 3.122 6.477 62 HD3 ARG 9 HD2 ARG 9 -8.996 1.972 6.781 63 HE ARG 9 HE ARG 9 -8.006 3.998 5.044 64 HH11 ARG 9 HH12 ARG 9 -8.916 3.695 8.446 65 HH12 ARG 9 HH11 ARG 9 -8.713 5.352 8.657 66 HH21 ARG 9 HH22 ARG 9 -6.824 5.762 5.726 67 HH22 ARG 9 HH21 ARG 9 -6.904 6.252 7.402 68 H PHE 10 H PHE 10 -10.332 -0.607 6.718 69 HA PHE 10 HA PHE 10 -11.941 -2.684 6.009 70 HB2 PHE 10 HB1 PHE 10 -12.256 -1.393 7.998 71 HB3 PHE 10 HB2 PHE 10 -12.602 0.083 7.084 72 HD1 PHE 10 HD2 PHE 10 -14.803 0.143 5.673 73 HD2 PHE 10 HD1 PHE 10 -14.015 -2.661 8.836 74 HE1 PHE 10 HE2 PHE 10 -17.177 -0.482 5.686 75 HE2 PHE 10 HE1 PHE 10 -16.431 -3.263 8.893 76 HZ PHE 10 HZ PHE 10 -18.011 -2.199 7.294 77 H SER 11 H SER 11 -13.246 -3.244 4.380 78 HA SER 11 HA SER 11 -15.182 -1.486 3.232 79 HB2 SER 11 HB1 SER 11 -13.378 -0.746 1.787 80 HB3 SER 11 HB2 SER 11 -12.936 -2.436 1.424 81 HG SER 11 HG SER 11 -14.158 -1.737 -0.240 82 HA PRO 12 HA PRO 12 -16.598 -5.783 2.426 83 HB2 PRO 12 HB1 PRO 12 -19.249 -5.422 2.581 84 HB3 PRO 12 HB2 PRO 12 -18.237 -5.257 4.049 85 HG2 PRO 12 HG1 PRO 12 -19.243 -3.040 2.231 86 HG3 PRO 12 HG2 PRO 12 -19.363 -3.136 4.026 87 HD2 PRO 12 HD1 PRO 12 -17.339 -1.794 2.677 88 HD3 PRO 12 HD2 PRO 12 -17.123 -2.544 4.285 89 H GLY 13 H GLY 13 -16.343 -3.131 0.464 90 HA2 GLY 13 HA3 GLY 13 -18.313 -3.860 -1.605 91 HA3 GLY 13 HA2 GLY 13 -17.284 -2.410 -1.554 92 HA PRO 14 HA PRO 14 -15.636 -5.560 -4.610 93 HB2 PRO 14 HB1 PRO 14 -15.428 -3.927 -6.810 94 HB3 PRO 14 HB2 PRO 14 -16.934 -4.776 -6.346 95 HG2 PRO 14 HG1 PRO 14 -16.149 -1.914 -5.739 96 HG3 PRO 14 HG2 PRO 14 -17.708 -2.518 -6.401 97 HD2 PRO 14 HD1 PRO 14 -17.390 -1.974 -3.748 98 HD3 PRO 14 HD2 PRO 14 -18.362 -3.372 -4.291 99 H ASN 15 H ASN 15 -14.523 -2.297 -3.674 100 HA ASN 15 HA ASN 15 -11.749 -3.157 -4.048 101 HB2 ASN 15 HB1 ASN 15 -11.347 -0.799 -4.699 102 HB3 ASN 15 HB2 ASN 15 -12.375 -1.674 -5.833 103 HD21 ASN 15 HD21 ASN 15 -13.969 -0.304 -6.629 104 HD22 ASN 15 HD22 ASN 15 -14.779 0.909 -5.647 105 H ALA 16 H ALA 16 -10.234 -1.805 -2.910 106 HA ALA 16 HA ALA 16 -10.883 -0.431 -0.447 107 HB1 ALA 16 HB1 ALA 16 -11.095 -2.862 0.206 108 HB2 ALA 16 HB2 ALA 16 -9.413 -3.113 -0.284 109 HB3 ALA 16 HB3 ALA 16 -9.800 -2.032 1.073 110 H ALA 17 H ALA 17 -8.484 -0.383 0.788 111 HA ALA 17 HA ALA 17 -6.299 0.049 -1.128 112 HB1 ALA 17 HB1 ALA 17 -7.380 2.244 -1.162 113 HB2 ALA 17 HB2 ALA 17 -7.419 2.298 0.616 114 HB3 ALA 17 HB3 ALA 17 -5.867 2.357 -0.237 115 H ALA 18 H ALA 18 -4.201 -0.032 0.002 116 HA ALA 18 HA ALA 18 -4.348 -0.825 2.892 117 HB1 ALA 18 HB1 ALA 18 -2.880 -2.723 2.396 118 HB2 ALA 18 HB2 ALA 18 -4.349 -2.823 1.410 119 HB3 ALA 18 HB3 ALA 18 -2.823 -2.271 0.684 120 H TYR 19 H TYR 19 -2.673 -0.429 4.214 121 HA TYR 19 HA TYR 19 -0.635 1.540 3.299 122 HB2 TYR 19 HB1 TYR 19 -1.883 1.145 6.031 123 HB3 TYR 19 HB2 TYR 19 -0.918 2.521 5.510 124 HD1 TYR 19 HD1 TYR 19 -1.987 3.689 3.231 125 HD2 TYR 19 HD2 TYR 19 -4.106 1.477 6.250 126 HE1 TYR 19 HE1 TYR 19 -4.098 4.888 2.627 127 HE2 TYR 19 HE2 TYR 19 -6.182 2.648 5.687 128 HH TYR 19 HH TYR 19 -6.330 5.116 3.064 129 H LEU 20 H LEU 20 0.207 -1.064 2.996 130 HA LEU 20 HA LEU 20 1.223 -2.285 5.389 131 HB2 LEU 20 HB1 LEU 20 2.105 -3.975 3.932 132 HB3 LEU 20 HB2 LEU 20 0.468 -3.496 3.420 133 HG LEU 20 HG LEU 20 2.020 -1.870 1.829 134 HD11 LEU 20 HD11 LEU 20 4.145 -2.944 2.567 135 HD12 LEU 20 HD12 LEU 20 3.810 -3.268 0.863 136 HD13 LEU 20 HD13 LEU 20 3.504 -4.528 2.074 137 HD21 LEU 20 HD21 LEU 20 0.168 -3.060 1.015 138 HD22 LEU 20 HD22 LEU 20 0.892 -4.634 1.411 139 HD23 LEU 20 HD23 LEU 20 1.556 -3.659 0.086 140 H THR 21 H THR 21 3.471 -2.998 5.774 141 HA THR 21 HA THR 21 5.169 -0.600 5.771 142 HB THR 21 HB THR 21 5.062 -3.138 7.414 143 HG1 THR 21 HG1 THR 21 5.155 -0.760 8.588 144 HG21 THR 21 HG21 THR 21 7.447 -2.684 7.244 145 HG22 THR 21 HG22 THR 21 6.868 -2.149 8.817 146 HG23 THR 21 HG23 THR 21 7.206 -0.949 7.548 147 H LEU 22 H LEU 22 7.101 -0.355 4.935 148 HA LEU 22 HA LEU 22 8.483 -2.693 3.715 149 HB2 LEU 22 HB1 LEU 22 7.700 -0.419 2.412 150 HB3 LEU 22 HB2 LEU 22 9.317 0.066 2.931 151 HG LEU 22 HG LEU 22 9.358 -0.763 0.680 152 HD11 LEU 22 HD11 LEU 22 10.650 -2.918 2.405 153 HD12 LEU 22 HD12 LEU 22 11.339 -1.302 2.142 154 HD13 LEU 22 HD13 LEU 22 11.118 -2.408 0.775 155 HD21 LEU 22 HD21 LEU 22 7.304 -2.243 1.032 156 HD22 LEU 22 HD22 LEU 22 8.411 -3.474 1.654 157 HD23 LEU 22 HD23 LEU 22 8.578 -2.887 -0.014 158 H GLU 23 H GLU 23 10.321 -3.257 4.570 159 HA GLU 23 HA GLU 23 12.032 -1.387 6.077 160 HB2 GLU 23 HB1 GLU 23 11.627 -4.266 6.963 161 HB3 GLU 23 HB2 GLU 23 12.528 -2.977 7.788 162 HG2 GLU 23 HG1 GLU 23 10.324 -1.779 8.116 163 HG3 GLU 23 HG2 GLU 23 9.522 -3.227 7.458 164 H ASN 24 H ASN 24 14.139 -1.615 5.361 165 HA ASN 24 HA ASN 24 14.658 -3.834 3.423 166 HB2 ASN 24 HB1 ASN 24 14.737 -1.441 2.642 167 HB3 ASN 24 HB2 ASN 24 16.170 -1.229 3.654 168 HD21 ASN 24 HD21 ASN 24 16.475 -0.871 0.937 169 HD22 ASN 24 HD22 ASN 24 17.435 -2.234 0.319 170 HA PRO 25 HA PRO 25 17.386 -4.947 6.930 171 HB2 PRO 25 HB1 PRO 25 17.248 -7.668 6.712 172 HB3 PRO 25 HB2 PRO 25 15.932 -6.706 7.453 173 HG2 PRO 25 HG1 PRO 25 16.118 -7.679 4.582 174 HG3 PRO 25 HG2 PRO 25 14.745 -7.893 5.723 175 HD2 PRO 25 HD1 PRO 25 14.783 -5.865 3.911 176 HD3 PRO 25 HD2 PRO 25 14.156 -5.611 5.568 177 H GLY 26 H GLY 26 17.622 -5.340 3.485 178 HA2 GLY 26 HA3 GLY 26 20.155 -6.798 3.524 179 HA3 GLY 26 HA2 GLY 26 19.244 -6.220 2.110 180 H ASP 27 H ASP 27 21.704 -5.837 1.810 181 HA ASP 27 HA ASP 27 22.659 -3.215 2.756 182 HB2 ASP 27 HB1 ASP 27 23.852 -5.763 1.603 183 HB3 ASP 27 HB2 ASP 27 24.773 -4.293 1.922 184 H LEU 28 H LEU 28 20.968 -4.319 0.266 185 HA LEU 28 HA LEU 28 21.991 -2.366 -1.717 186 HB2 LEU 28 HB1 LEU 28 21.129 -3.818 -3.488 187 HB3 LEU 28 HB2 LEU 28 22.379 -4.596 -2.470 188 HG LEU 28 HG LEU 28 20.347 -5.712 -1.259 189 HD11 LEU 28 HD11 LEU 28 18.411 -6.160 -2.788 190 HD12 LEU 28 HD12 LEU 28 19.029 -4.921 -3.903 191 HD13 LEU 28 HD13 LEU 28 18.472 -4.481 -2.276 192 HD21 LEU 28 HD21 LEU 28 21.991 -6.913 -2.640 193 HD22 LEU 28 HD22 LEU 28 21.096 -6.475 -4.114 194 HD23 LEU 28 HD23 LEU 28 20.364 -7.554 -2.903 195 HA PRO 29 HA PRO 29 18.043 -0.528 -1.212 196 HB2 PRO 29 HB1 PRO 29 17.535 0.782 -3.543 197 HB3 PRO 29 HB2 PRO 29 18.865 1.233 -2.436 198 HG2 PRO 29 HG1 PRO 29 19.001 -0.419 -4.959 199 HG3 PRO 29 HG2 PRO 29 20.123 0.876 -4.419 200 HD2 PRO 29 HD1 PRO 29 20.570 -1.855 -4.095 201 HD3 PRO 29 HD2 PRO 29 21.276 -0.630 -3.022 202 H LEU 30 H LEU 30 15.909 -0.984 -1.332 203 HA LEU 30 HA LEU 30 14.979 -3.054 -3.252 204 HB2 LEU 30 HB1 LEU 30 13.851 -2.040 -0.625 205 HB3 LEU 30 HB2 LEU 30 12.866 -2.991 -1.752 206 HG LEU 30 HG LEU 30 15.518 -3.929 -0.719 207 HD11 LEU 30 HD11 LEU 30 14.307 -5.221 1.014 208 HD12 LEU 30 HD12 LEU 30 12.750 -4.621 0.405 209 HD13 LEU 30 HD13 LEU 30 13.886 -3.509 1.186 210 HD21 LEU 30 HD21 LEU 30 14.743 -6.180 -1.263 211 HD22 LEU 30 HD22 LEU 30 14.737 -5.152 -2.701 212 HD23 LEU 30 HD23 LEU 30 13.211 -5.527 -1.862 213 H ARG 31 H ARG 31 13.244 -2.801 -4.343 214 HA ARG 31 HA ARG 31 12.093 -0.085 -4.777 215 HB2 ARG 31 HB1 ARG 31 13.998 -0.361 -6.336 216 HB3 ARG 31 HB2 ARG 31 13.179 -1.732 -7.092 217 HG2 ARG 31 HG1 ARG 31 11.340 -0.325 -7.805 218 HG3 ARG 31 HG2 ARG 31 11.918 1.033 -6.810 219 HD2 ARG 31 HD1 ARG 31 13.339 -0.107 -9.250 220 HD3 ARG 31 HD2 ARG 31 12.408 1.414 -9.177 221 HE ARG 31 HE ARG 31 14.143 1.795 -7.165 222 HH11 ARG 31 HH12 ARG 31 14.991 0.671 -10.396 223 HH12 ARG 31 HH11 ARG 31 16.675 1.076 -10.164 224 HH21 ARG 31 HH22 ARG 31 16.204 2.286 -6.907 225 HH22 ARG 31 HH21 ARG 31 17.363 2.011 -8.172 226 H LEU 32 H LEU 32 10.055 -0.417 -4.286 227 HA LEU 32 HA LEU 32 8.678 -2.980 -4.801 228 HB2 LEU 32 HB1 LEU 32 8.587 -1.935 -2.620 229 HB3 LEU 32 HB2 LEU 32 7.974 -0.420 -3.314 230 HG LEU 32 HG LEU 32 5.880 -1.684 -3.997 231 HD11 LEU 32 HD11 LEU 32 7.214 -3.887 -2.370 232 HD12 LEU 32 HD12 LEU 32 6.729 -3.975 -4.076 233 HD13 LEU 32 HD13 LEU 32 5.493 -3.884 -2.816 234 HD21 LEU 32 HD21 LEU 32 5.032 -1.823 -1.620 235 HD22 LEU 32 HD22 LEU 32 5.898 -0.324 -1.997 236 HD23 LEU 32 HD23 LEU 32 6.697 -1.601 -1.066 237 H VAL 33 H VAL 33 7.991 -3.220 -6.802 238 HA VAL 33 HA VAL 33 7.013 -0.883 -8.398 239 HB VAL 33 HB VAL 33 7.363 -2.241 -10.380 240 HG11 VAL 33 HG11 VAL 33 9.833 -2.392 -8.597 241 HG12 VAL 33 HG12 VAL 33 9.802 -2.454 -10.365 242 HG13 VAL 33 HG13 VAL 33 9.320 -0.978 -9.533 243 HG21 VAL 33 HG21 VAL 33 8.489 -4.478 -8.650 244 HG22 VAL 33 HG22 VAL 33 6.895 -4.536 -9.442 245 HG23 VAL 33 HG23 VAL 33 8.365 -4.434 -10.411 246 H GLY 34 H GLY 34 5.891 -3.772 -6.805 247 HA2 GLY 34 HA3 GLY 34 3.146 -3.444 -7.740 248 HA3 GLY 34 HA2 GLY 34 3.964 -4.919 -8.306 249 H ALA 35 H ALA 35 1.862 -5.567 -7.010 250 HA ALA 35 HA ALA 35 2.888 -6.942 -4.689 251 HB1 ALA 35 HB1 ALA 35 0.551 -5.012 -4.346 252 HB2 ALA 35 HB2 ALA 35 1.068 -6.219 -3.147 253 HB3 ALA 35 HB3 ALA 35 2.150 -4.903 -3.579 254 H ARG 36 H ARG 36 0.970 -8.317 -3.696 255 HA ARG 36 HA ARG 36 -1.049 -9.323 -5.628 256 HB2 ARG 36 HB1 ARG 36 1.593 -10.389 -5.292 257 HB3 ARG 36 HB2 ARG 36 0.462 -11.493 -4.465 258 HG2 ARG 36 HG1 ARG 36 -0.727 -11.846 -6.617 259 HG3 ARG 36 HG2 ARG 36 0.523 -10.844 -7.410 260 HD2 ARG 36 HD1 ARG 36 2.307 -12.236 -6.456 261 HD3 ARG 36 HD2 ARG 36 1.118 -13.196 -5.542 262 HE ARG 36 HE ARG 36 0.665 -13.407 -8.368 263 HH11 ARG 36 HH12 ARG 36 2.825 -14.427 -5.703 264 HH12 ARG 36 HH11 ARG 36 3.386 -15.820 -6.562 265 HH21 ARG 36 HH22 ARG 36 1.392 -15.336 -9.386 266 HH22 ARG 36 HH21 ARG 36 2.556 -16.357 -8.586 267 H THR 37 H THR 37 -2.831 -10.256 -4.306 268 HA THR 37 HA THR 37 -2.068 -11.437 -1.729 269 HB THR 37 HB THR 37 -2.456 -9.425 -0.742 270 HG1 THR 37 HG1 THR 37 -3.686 -10.477 0.485 271 HG21 THR 37 HG21 THR 37 -4.519 -8.003 -1.173 272 HG22 THR 37 HG22 THR 37 -4.820 -9.023 -2.599 273 HG23 THR 37 HG23 THR 37 -3.357 -8.025 -2.506 274 HA PRO 38 HA PRO 38 -5.222 -14.288 -3.009 275 HB2 PRO 38 HB1 PRO 38 -6.059 -15.340 -0.607 276 HB3 PRO 38 HB2 PRO 38 -4.504 -15.718 -1.421 277 HG2 PRO 38 HG1 PRO 38 -4.977 -13.730 0.800 278 HG3 PRO 38 HG2 PRO 38 -3.713 -15.011 0.707 279 HD2 PRO 38 HD1 PRO 38 -3.189 -12.445 -0.007 280 HD3 PRO 38 HD2 PRO 38 -2.490 -13.786 -0.936 281 H VAL 39 H VAL 39 -5.886 -11.548 -1.080 282 HA VAL 39 HA VAL 39 -8.811 -11.757 -1.769 283 HB VAL 39 HB VAL 39 -9.413 -10.611 0.297 284 HG11 VAL 39 HG11 VAL 39 -7.786 -13.134 0.799 285 HG12 VAL 39 HG12 VAL 39 -9.014 -12.450 1.865 286 HG13 VAL 39 HG13 VAL 39 -9.478 -13.047 0.261 287 HG21 VAL 39 HG21 VAL 39 -6.514 -10.987 1.177 288 HG22 VAL 39 HG22 VAL 39 -7.209 -9.420 0.707 289 HG23 VAL 39 HG23 VAL 39 -7.846 -10.278 2.117 290 H ALA 40 H ALA 40 -6.765 -10.491 -3.348 291 HA ALA 40 HA ALA 40 -8.646 -8.534 -4.282 292 HB1 ALA 40 HB1 ALA 40 -7.412 -7.056 -2.682 293 HB2 ALA 40 HB2 ALA 40 -5.927 -7.352 -3.613 294 HB3 ALA 40 HB3 ALA 40 -7.305 -6.562 -4.382 295 H GLU 41 H GLU 41 -8.730 -9.204 -6.304 296 HA GLU 41 HA GLU 41 -6.745 -10.810 -7.568 297 HB2 GLU 41 HB1 GLU 41 -9.288 -10.677 -7.840 298 HB3 GLU 41 HB2 GLU 41 -9.035 -9.289 -8.895 299 HG2 GLU 41 HG1 GLU 41 -7.793 -10.679 -10.482 300 HG3 GLU 41 HG2 GLU 41 -7.791 -12.046 -9.336 301 H ARG 42 H ARG 42 -7.443 -7.338 -7.830 302 HA ARG 42 HA ARG 42 -5.335 -6.987 -9.933 303 HB2 ARG 42 HB1 ARG 42 -8.166 -5.867 -9.801 304 HB3 ARG 42 HB2 ARG 42 -6.954 -5.414 -11.012 305 HG2 ARG 42 HG1 ARG 42 -6.974 -7.613 -11.980 306 HG3 ARG 42 HG2 ARG 42 -7.916 -8.281 -10.625 307 HD2 ARG 42 HD1 ARG 42 -9.736 -6.580 -11.333 308 HD3 ARG 42 HD2 ARG 42 -8.864 -6.545 -12.869 309 HE ARG 42 HE ARG 42 -9.642 -9.203 -11.697 310 HH11 ARG 42 HH12 ARG 42 -10.332 -6.884 -14.286 311 HH12 ARG 42 HH11 ARG 42 -11.332 -8.051 -15.114 312 HH21 ARG 42 HH22 ARG 42 -10.870 -10.518 -12.696 313 HH22 ARG 42 HH21 ARG 42 -11.647 -10.144 -14.228 314 H VAL 43 H VAL 43 -3.867 -6.152 -8.496 315 HA VAL 43 HA VAL 43 -4.641 -4.045 -6.591 316 HB VAL 43 HB VAL 43 -3.013 -6.003 -6.161 317 HG11 VAL 43 HG11 VAL 43 -1.463 -5.642 -8.042 318 HG12 VAL 43 HG12 VAL 43 -0.995 -4.061 -7.368 319 HG13 VAL 43 HG13 VAL 43 -0.644 -5.534 -6.472 320 HG21 VAL 43 HG21 VAL 43 -1.835 -4.761 -4.446 321 HG22 VAL 43 HG22 VAL 43 -2.245 -3.222 -5.226 322 HG23 VAL 43 HG23 VAL 43 -3.524 -4.247 -4.537 323 H GLU 44 H GLU 44 -3.243 -2.016 -6.492 324 HA GLU 44 HA GLU 44 -2.049 -0.994 -8.980 325 HB2 GLU 44 HB1 GLU 44 -4.805 -0.686 -8.343 326 HB3 GLU 44 HB2 GLU 44 -4.073 0.866 -7.945 327 HG2 GLU 44 HG1 GLU 44 -3.511 -0.463 -10.609 328 HG3 GLU 44 HG2 GLU 44 -5.023 0.446 -10.339 329 H LEU 45 H LEU 45 -0.869 1.083 -8.493 330 HA LEU 45 HA LEU 45 -0.161 1.214 -5.567 331 HB2 LEU 45 HB1 LEU 45 1.529 -0.108 -6.712 332 HB3 LEU 45 HB2 LEU 45 1.745 1.180 -7.925 333 HG LEU 45 HG LEU 45 2.495 2.699 -6.049 334 HD11 LEU 45 HD11 LEU 45 3.225 1.844 -3.939 335 HD12 LEU 45 HD12 LEU 45 2.733 0.205 -4.370 336 HD13 LEU 45 HD13 LEU 45 1.508 1.470 -4.117 337 HD21 LEU 45 HD21 LEU 45 4.124 0.155 -6.454 338 HD22 LEU 45 HD22 LEU 45 4.755 1.727 -5.909 339 HD23 LEU 45 HD23 LEU 45 4.098 1.555 -7.548 340 H HIS 46 H HIS 46 -0.744 3.092 -4.805 341 HA HIS 46 HA HIS 46 -0.638 5.521 -6.551 342 HB2 HIS 46 HB1 HIS 46 -2.567 4.642 -4.387 343 HB3 HIS 46 HB2 HIS 46 -2.609 6.227 -5.172 344 HD2 HIS 46 HD2 HIS 46 -2.064 4.049 -8.049 345 HE1 HIS 46 HE1 HIS 46 -6.217 3.634 -7.342 346 HE2 HIS 46 HE2 HIS 46 -4.303 3.376 -9.114 347 H GLU 47 H GLU 47 -0.278 7.425 -5.798 348 HA GLU 47 HA GLU 47 0.714 7.800 -3.020 349 HB2 GLU 47 HB1 GLU 47 1.652 9.831 -3.651 350 HB3 GLU 47 HB2 GLU 47 2.082 8.668 -4.930 351 HG2 GLU 47 HG1 GLU 47 0.424 9.592 -6.410 352 HG3 GLU 47 HG2 GLU 47 -0.249 10.636 -5.148 353 H THR 48 H THR 48 -0.054 10.002 -2.173 354 HA THR 48 HA THR 48 -2.803 10.850 -2.924 355 HB THR 48 HB THR 48 -1.981 9.940 -0.131 356 HG1 THR 48 HG1 THR 48 -2.890 8.764 -2.268 357 HG21 THR 48 HG21 THR 48 -4.345 10.371 0.460 358 HG22 THR 48 HG22 THR 48 -4.651 11.025 -1.165 359 HG23 THR 48 HG23 THR 48 -3.559 11.874 -0.045 360 H PHE 49 H PHE 49 -2.826 13.042 -2.881 361 HA PHE 49 HA PHE 49 -0.374 14.428 -1.887 362 HB2 PHE 49 HB1 PHE 49 -0.256 15.569 -4.036 363 HB3 PHE 49 HB2 PHE 49 -0.062 13.831 -4.199 364 HD1 PHE 49 HD1 PHE 49 -2.629 16.561 -4.471 365 HD2 PHE 49 HD2 PHE 49 -1.344 12.721 -5.950 366 HE1 PHE 49 HE1 PHE 49 -4.336 16.683 -6.213 367 HE2 PHE 49 HE2 PHE 49 -3.045 12.858 -7.732 368 HZ PHE 49 HZ PHE 49 -4.527 14.829 -7.910 369 H MET 50 H MET 50 -0.499 16.777 -2.180 370 HA MET 50 HA MET 50 -3.171 17.931 -1.443 371 HB2 MET 50 HB1 MET 50 -0.357 18.977 -0.992 372 HB3 MET 50 HB2 MET 50 -1.840 19.913 -0.686 373 HG2 MET 50 HG1 MET 50 -2.575 18.245 0.958 374 HG3 MET 50 HG2 MET 50 -1.122 17.275 0.661 375 HE1 MET 50 HE1 MET 50 -2.724 19.784 2.992 376 HE2 MET 50 HE2 MET 50 -2.177 18.155 3.461 377 HE3 MET 50 HE3 MET 50 -1.426 19.592 4.189 378 H ARG 51 H ARG 51 -4.022 19.543 -2.692 379 HA ARG 51 HA ARG 51 -2.517 20.833 -4.821 380 HB2 ARG 51 HB1 ARG 51 -4.649 18.848 -5.472 381 HB3 ARG 51 HB2 ARG 51 -4.583 20.345 -6.440 382 HG2 ARG 51 HG1 ARG 51 -2.120 19.915 -6.770 383 HG3 ARG 51 HG2 ARG 51 -2.388 18.301 -6.095 384 HD2 ARG 51 HD1 ARG 51 -4.211 18.087 -7.961 385 HD3 ARG 51 HD2 ARG 51 -3.389 19.477 -8.692 386 HE ARG 51 HE ARG 51 -1.885 17.034 -7.862 387 HH11 ARG 51 HH12 ARG 51 -2.789 19.103 -10.604 388 HH12 ARG 51 HH11 ARG 51 -1.562 18.417 -11.621 389 HH21 ARG 51 HH22 ARG 51 -0.360 16.233 -9.184 390 HH22 ARG 51 HH21 ARG 51 -0.215 16.768 -10.832 391 H GLU 52 H GLU 52 -4.117 22.463 -6.028 392 HA GLU 52 HA GLU 52 -6.188 23.550 -4.273 393 HB2 GLU 52 HB1 GLU 52 -4.230 24.740 -3.608 394 HB3 GLU 52 HB2 GLU 52 -3.676 24.940 -5.280 395 HG2 GLU 52 HG1 GLU 52 -5.081 26.689 -5.677 396 HG3 GLU 52 HG2 GLU 52 -6.383 25.980 -4.684 397 H VAL 53 H VAL 53 -7.868 24.264 -5.431 398 HA VAL 53 HA VAL 53 -7.623 25.226 -8.183 399 HB VAL 53 HB VAL 53 -9.769 24.108 -8.823 400 HG11 VAL 53 HG11 VAL 53 -7.493 22.136 -8.388 401 HG12 VAL 53 HG12 VAL 53 -8.778 22.035 -9.605 402 HG13 VAL 53 HG13 VAL 53 -7.578 23.334 -9.701 403 HG21 VAL 53 HG21 VAL 53 -10.444 21.987 -7.756 404 HG22 VAL 53 HG22 VAL 53 -9.221 22.210 -6.493 405 HG23 VAL 53 HG23 VAL 53 -10.592 23.333 -6.625 406 H GLU 54 H GLU 54 -9.186 26.843 -8.580 407 HA GLU 54 HA GLU 54 -10.501 28.624 -8.073 408 HB2 GLU 54 HB1 GLU 54 -11.968 26.809 -6.190 409 HB3 GLU 54 HB2 GLU 54 -12.603 28.215 -7.063 410 HG2 GLU 54 HG1 GLU 54 -12.692 26.926 -9.112 411 HG3 GLU 54 HG2 GLU 54 -11.959 25.527 -8.293 412 H GLY 55 H GLY 55 -8.250 28.135 -6.030 413 HA2 GLY 55 HA3 GLY 55 -7.490 29.289 -4.151 414 HA3 GLY 55 HA2 GLY 55 -9.067 30.102 -4.025 415 H LYS 56 H LYS 56 -8.982 26.576 -4.146 416 HA LYS 56 HA LYS 56 -9.760 26.419 -1.291 417 HB2 LYS 56 HB1 LYS 56 -10.550 24.403 -3.358 418 HB3 LYS 56 HB2 LYS 56 -11.220 24.645 -1.743 419 HG2 LYS 56 HG1 LYS 56 -11.630 26.347 -4.210 420 HG3 LYS 56 HG2 LYS 56 -12.811 25.273 -3.451 421 HD2 LYS 56 HD1 LYS 56 -12.738 26.833 -1.445 422 HD3 LYS 56 HD2 LYS 56 -11.761 27.940 -2.430 423 HE2 LYS 56 HE1 LYS 56 -14.606 26.994 -2.979 424 HE3 LYS 56 HE2 LYS 56 -14.088 28.629 -2.512 425 HZ1 LYS 56 HZ1 LYS 56 -13.751 27.256 -5.114 426 HZ2 LYS 56 HZ2 LYS 56 -12.798 28.548 -4.722 427 HZ3 LYS 56 HZ3 LYS 56 -14.445 28.663 -4.834 428 H LYS 57 H LYS 57 -8.162 25.490 -0.206 429 HA LYS 57 HA LYS 57 -6.048 23.849 -1.354 430 HB2 LYS 57 HB1 LYS 57 -6.728 23.953 1.584 431 HB3 LYS 57 HB2 LYS 57 -5.149 23.703 0.830 432 HG2 LYS 57 HG1 LYS 57 -6.693 26.296 1.140 433 HG3 LYS 57 HG2 LYS 57 -5.174 25.838 1.939 434 HD2 LYS 57 HD1 LYS 57 -4.004 25.942 -0.236 435 HD3 LYS 57 HD2 LYS 57 -5.547 26.352 -1.027 436 HE2 LYS 57 HE1 LYS 57 -5.651 28.332 0.650 437 HE3 LYS 57 HE2 LYS 57 -3.934 28.007 0.945 438 HZ1 LYS 57 HZ1 LYS 57 -3.681 28.231 -1.558 439 HZ2 LYS 57 HZ2 LYS 57 -4.193 29.655 -0.848 440 HZ3 LYS 57 HZ3 LYS 57 -5.186 28.617 -1.678 441 H VAL 58 H VAL 58 -6.336 21.766 -1.914 442 HA VAL 58 HA VAL 58 -8.336 20.043 -0.548 443 HB VAL 58 HB VAL 58 -8.873 19.176 -2.796 444 HG11 VAL 58 HG11 VAL 58 -10.433 20.937 -3.439 445 HG12 VAL 58 HG12 VAL 58 -10.370 20.776 -1.674 446 HG13 VAL 58 HG13 VAL 58 -9.532 22.122 -2.473 447 HG21 VAL 58 HG21 VAL 58 -7.492 21.613 -3.954 448 HG22 VAL 58 HG22 VAL 58 -6.884 19.942 -4.061 449 HG23 VAL 58 HG23 VAL 58 -8.410 20.384 -4.835 450 H MET 59 H MET 59 -8.073 17.733 -1.562 451 HA MET 59 HA MET 59 -5.224 16.995 -1.930 452 HB2 MET 59 HB1 MET 59 -7.169 15.720 0.022 453 HB3 MET 59 HB2 MET 59 -5.698 14.895 -0.571 454 HG2 MET 59 HG1 MET 59 -4.341 16.806 0.238 455 HG3 MET 59 HG2 MET 59 -5.775 17.516 0.965 456 HE1 MET 59 HE1 MET 59 -7.029 16.754 2.828 457 HE2 MET 59 HE2 MET 59 -7.317 15.024 2.523 458 HE3 MET 59 HE3 MET 59 -6.543 15.545 4.034 459 H GLY 60 H GLY 60 -4.977 14.822 -2.836 460 HA2 GLY 60 HA3 GLY 60 -7.178 13.736 -4.427 461 HA3 GLY 60 HA2 GLY 60 -5.910 14.552 -5.369 462 H MET 61 H MET 61 -6.002 12.129 -6.148 463 HA MET 61 HA MET 61 -3.758 10.634 -4.903 464 HB2 MET 61 HB1 MET 61 -5.588 9.700 -3.745 465 HB3 MET 61 HB2 MET 61 -6.646 9.795 -5.169 466 HG2 MET 61 HG1 MET 61 -5.133 8.029 -6.206 467 HG3 MET 61 HG2 MET 61 -4.455 7.801 -4.605 468 HE1 MET 61 HE1 MET 61 -8.066 6.854 -2.818 469 HE2 MET 61 HE2 MET 61 -6.584 7.795 -2.539 470 HE3 MET 61 HE3 MET 61 -7.941 8.516 -3.451 471 H ARG 62 H ARG 62 -2.704 9.249 -6.379 472 HA ARG 62 HA ARG 62 -3.717 8.747 -9.026 473 HB2 ARG 62 HB1 ARG 62 -2.168 10.023 -10.351 474 HB3 ARG 62 HB2 ARG 62 -3.103 11.115 -9.300 475 HG2 ARG 62 HG1 ARG 62 -1.037 12.057 -9.203 476 HG3 ARG 62 HG2 ARG 62 -1.025 11.056 -7.753 477 HD2 ARG 62 HD1 ARG 62 0.238 9.312 -9.003 478 HD3 ARG 62 HD2 ARG 62 0.193 10.316 -10.458 479 HE ARG 62 HE ARG 62 1.323 11.666 -8.133 480 HH11 ARG 62 HH12 ARG 62 2.239 9.216 -10.507 481 HH12 ARG 62 HH11 ARG 62 3.935 9.500 -10.246 482 HH21 ARG 62 HH22 ARG 62 3.374 11.575 -7.536 483 HH22 ARG 62 HH21 ARG 62 4.598 10.885 -8.553 484 HA PRO 63 HA PRO 63 -0.777 5.523 -8.583 485 HB2 PRO 63 HB1 PRO 63 -0.294 4.562 -11.067 486 HB3 PRO 63 HB2 PRO 63 -1.898 4.441 -10.281 487 HG2 PRO 63 HG1 PRO 63 -0.965 6.560 -12.235 488 HG3 PRO 63 HG2 PRO 63 -2.476 5.579 -12.295 489 HD2 PRO 63 HD1 PRO 63 -2.439 8.102 -11.238 490 HD3 PRO 63 HD2 PRO 63 -3.439 6.801 -10.520 491 H VAL 64 H VAL 64 1.321 4.815 -8.686 492 HA VAL 64 HA VAL 64 3.366 6.698 -9.818 493 HB VAL 64 HB VAL 64 4.819 6.225 -7.851 494 HG11 VAL 64 HG11 VAL 64 3.764 7.831 -6.341 495 HG12 VAL 64 HG12 VAL 64 3.670 8.332 -8.025 496 HG13 VAL 64 HG13 VAL 64 2.226 7.670 -7.220 497 HG21 VAL 64 HG21 VAL 64 2.330 5.114 -6.510 498 HG22 VAL 64 HG22 VAL 64 3.816 4.217 -6.940 499 HG23 VAL 64 HG23 VAL 64 3.870 5.493 -5.722 500 HA PRO 65 HA PRO 65 4.879 3.036 -11.696 501 HB2 PRO 65 HB1 PRO 65 7.485 3.540 -12.206 502 HB3 PRO 65 HB2 PRO 65 6.168 4.496 -12.954 503 HG2 PRO 65 HG1 PRO 65 7.810 5.197 -10.504 504 HG3 PRO 65 HG2 PRO 65 7.455 6.233 -11.934 505 HD2 PRO 65 HD1 PRO 65 5.999 6.376 -9.615 506 HD3 PRO 65 HD2 PRO 65 5.245 6.602 -11.215 507 H PHE 66 H PHE 66 6.574 4.052 -8.781 508 HA PHE 66 HA PHE 66 6.570 1.502 -7.574 509 HB2 PHE 66 HB1 PHE 66 8.967 1.013 -7.506 510 HB3 PHE 66 HB2 PHE 66 8.340 0.927 -9.148 511 HD1 PHE 66 HD1 PHE 66 10.375 2.907 -6.782 512 HD2 PHE 66 HD2 PHE 66 9.077 2.473 -10.853 513 HE1 PHE 66 HE1 PHE 66 11.993 4.624 -7.431 514 HE2 PHE 66 HE2 PHE 66 10.799 4.155 -11.565 515 HZ PHE 66 HZ PHE 66 12.254 5.240 -9.857 516 H LEU 67 H LEU 67 7.834 1.505 -5.541 517 HA LEU 67 HA LEU 67 8.569 4.212 -4.495 518 HB2 LEU 67 HB1 LEU 67 7.828 1.746 -2.862 519 HB3 LEU 67 HB2 LEU 67 8.178 3.364 -2.236 520 HG LEU 67 HG LEU 67 5.697 2.382 -3.691 521 HD11 LEU 67 HD11 LEU 67 4.614 3.101 -1.591 522 HD12 LEU 67 HD12 LEU 67 6.188 3.659 -0.966 523 HD13 LEU 67 HD13 LEU 67 5.913 1.931 -1.260 524 HD21 LEU 67 HD21 LEU 67 6.376 5.257 -2.931 525 HD22 LEU 67 HD22 LEU 67 4.779 4.666 -3.458 526 HD23 LEU 67 HD23 LEU 67 6.139 4.626 -4.577 527 H GLU 68 H GLU 68 10.447 4.287 -3.196 528 HA GLU 68 HA GLU 68 12.470 2.160 -3.790 529 HB2 GLU 68 HB1 GLU 68 12.842 4.332 -5.012 530 HB3 GLU 68 HB2 GLU 68 12.903 5.158 -3.435 531 HG2 GLU 68 HG1 GLU 68 15.146 4.865 -3.983 532 HG3 GLU 68 HG2 GLU 68 14.856 3.544 -2.863 533 H VAL 69 H VAL 69 13.585 1.420 -2.011 534 HA VAL 69 HA VAL 69 13.685 3.209 0.324 535 HB VAL 69 HB VAL 69 13.004 0.254 0.685 536 HG11 VAL 69 HG11 VAL 69 14.421 1.075 2.532 537 HG12 VAL 69 HG12 VAL 69 13.335 2.457 2.779 538 HG13 VAL 69 HG13 VAL 69 12.777 0.801 3.094 539 HG21 VAL 69 HG21 VAL 69 10.977 1.437 -0.001 540 HG22 VAL 69 HG22 VAL 69 10.890 1.078 1.721 541 HG23 VAL 69 HG23 VAL 69 11.282 2.719 1.201 542 HA PRO 70 HA PRO 70 17.948 1.978 -0.239 543 HB2 PRO 70 HB1 PRO 70 19.138 3.504 1.682 544 HB3 PRO 70 HB2 PRO 70 18.433 4.212 0.197 545 HG2 PRO 70 HG1 PRO 70 17.134 3.958 2.930 546 HG3 PRO 70 HG2 PRO 70 17.259 5.429 1.901 547 HD2 PRO 70 HD1 PRO 70 15.030 3.860 1.902 548 HD3 PRO 70 HD2 PRO 70 15.626 4.613 0.397 549 HA PRO 71 HA PRO 71 18.717 -1.292 2.634 550 HB2 PRO 71 HB1 PRO 71 21.432 -1.217 3.097 551 HB3 PRO 71 HB2 PRO 71 20.633 -1.837 1.617 552 HG2 PRO 71 HG1 PRO 71 21.853 0.887 2.075 553 HG3 PRO 71 HG2 PRO 71 22.035 -0.192 0.643 554 HD2 PRO 71 HD1 PRO 71 20.280 1.877 0.642 555 HD3 PRO 71 HD2 PRO 71 19.877 0.317 -0.129 556 H LYS 72 H LYS 72 18.763 -1.792 4.752 557 HA LYS 72 HA LYS 72 18.555 -1.592 6.978 558 HB2 LYS 72 HB1 LYS 72 20.848 0.244 6.429 559 HB3 LYS 72 HB2 LYS 72 20.131 0.261 8.062 560 HG2 LYS 72 HG1 LYS 72 22.081 -1.240 7.793 561 HG3 LYS 72 HG2 LYS 72 20.630 -2.001 8.449 562 HD2 LYS 72 HD1 LYS 72 20.208 -3.031 6.219 563 HD3 LYS 72 HD2 LYS 72 21.686 -2.267 5.595 564 HE2 LYS 72 HE1 LYS 72 23.036 -3.506 7.248 565 HE3 LYS 72 HE2 LYS 72 21.563 -4.201 7.957 566 HZ1 LYS 72 HZ1 LYS 72 22.633 -4.673 5.243 567 HZ2 LYS 72 HZ2 LYS 72 21.163 -5.245 5.747 568 HZ3 LYS 72 HZ3 LYS 72 22.582 -5.758 6.405 569 H GLY 73 H GLY 73 17.624 0.904 5.078 570 HA2 GLY 73 HA3 GLY 73 16.263 2.546 7.105 571 HA3 GLY 73 HA2 GLY 73 16.075 2.673 5.342 572 H ARG 74 H ARG 74 13.882 2.931 7.017 573 HA ARG 74 HA ARG 74 12.206 0.832 5.876 574 HB2 ARG 74 HB1 ARG 74 10.954 0.341 7.865 575 HB3 ARG 74 HB2 ARG 74 12.666 -0.055 8.125 576 HG2 ARG 74 HG1 ARG 74 12.215 0.915 10.118 577 HG3 ARG 74 HG2 ARG 74 12.664 2.378 9.259 578 HD2 ARG 74 HD1 ARG 74 10.151 2.633 8.752 579 HD3 ARG 74 HD2 ARG 74 9.965 1.389 10.006 580 HE ARG 74 HE ARG 74 11.597 3.299 11.159 581 HH11 ARG 74 HH12 ARG 74 8.342 3.400 9.734 582 HH12 ARG 74 HH11 ARG 74 7.904 4.835 10.549 583 HH21 ARG 74 HH22 ARG 74 10.903 5.111 12.359 584 HH22 ARG 74 HH21 ARG 74 9.288 5.718 12.111 585 H VAL 75 H VAL 75 10.089 1.470 5.516 586 HA VAL 75 HA VAL 75 9.148 4.176 6.035 587 HB VAL 75 HB VAL 75 9.820 3.428 3.144 588 HG11 VAL 75 HG11 VAL 75 8.552 5.945 4.324 589 HG12 VAL 75 HG12 VAL 75 9.026 5.741 2.624 590 HG13 VAL 75 HG13 VAL 75 7.743 4.742 3.296 591 HG21 VAL 75 HG21 VAL 75 11.103 5.591 4.856 592 HG22 VAL 75 HG22 VAL 75 11.901 4.146 4.182 593 HG23 VAL 75 HG23 VAL 75 11.314 5.404 3.103 594 H GLU 76 H GLU 76 6.980 3.815 6.314 595 HA GLU 76 HA GLU 76 5.711 1.459 5.093 596 HB2 GLU 76 HB1 GLU 76 4.590 3.581 6.949 597 HB3 GLU 76 HB2 GLU 76 3.839 2.016 6.494 598 HG2 GLU 76 HG1 GLU 76 4.724 1.679 8.641 599 HG3 GLU 76 HG2 GLU 76 5.831 0.879 7.507 600 H LEU 77 H LEU 77 3.684 1.514 3.900 601 HA LEU 77 HA LEU 77 3.305 3.805 2.108 602 HB2 LEU 77 HB1 LEU 77 1.891 1.167 2.529 603 HB3 LEU 77 HB2 LEU 77 1.152 2.501 1.587 604 HG LEU 77 HG LEU 77 3.330 2.476 0.219 605 HD11 LEU 77 HD11 LEU 77 3.517 -0.324 1.393 606 HD12 LEU 77 HD12 LEU 77 4.741 0.957 1.518 607 HD13 LEU 77 HD13 LEU 77 4.365 0.220 -0.056 608 HD21 LEU 77 HD21 LEU 77 2.386 0.692 -1.247 609 HD22 LEU 77 HD22 LEU 77 1.244 1.921 -0.722 610 HD23 LEU 77 HD23 LEU 77 1.231 0.330 0.072 611 H LYS 78 H LYS 78 3.336 5.229 3.934 612 HA LYS 78 HA LYS 78 1.530 5.353 5.983 613 HB2 LYS 78 HB1 LYS 78 2.163 7.737 6.157 614 HB3 LYS 78 HB2 LYS 78 3.553 6.666 5.830 615 HG2 LYS 78 HG1 LYS 78 3.272 7.334 3.362 616 HG3 LYS 78 HG2 LYS 78 2.184 8.609 3.936 617 HD2 LYS 78 HD1 LYS 78 4.013 9.537 5.333 618 HD3 LYS 78 HD2 LYS 78 5.093 8.233 4.739 619 HE2 LYS 78 HE1 LYS 78 5.638 10.120 3.423 620 HE3 LYS 78 HE2 LYS 78 4.635 9.093 2.386 621 HZ1 LYS 78 HZ1 LYS 78 2.740 10.594 3.048 622 HZ2 LYS 78 HZ2 LYS 78 3.912 11.371 2.200 623 HZ3 LYS 78 HZ3 LYS 78 3.790 11.545 3.832 624 HA PRO 79 HA PRO 79 -2.412 6.130 3.998 625 HB2 PRO 79 HB1 PRO 79 -3.877 7.122 6.117 626 HB3 PRO 79 HB2 PRO 79 -3.485 5.389 5.912 627 HG2 PRO 79 HG1 PRO 79 -1.986 7.432 7.568 628 HG3 PRO 79 HG2 PRO 79 -2.555 5.803 8.067 629 HD2 PRO 79 HD1 PRO 79 -0.001 6.168 7.274 630 HD3 PRO 79 HD2 PRO 79 -0.904 4.730 6.712 631 H GLY 80 H GLY 80 -0.852 8.678 5.953 632 HA2 GLY 80 HA3 GLY 80 -1.961 10.839 4.316 633 HA3 GLY 80 HA2 GLY 80 -0.684 10.962 5.546 634 H GLY 81 H GLY 81 -1.062 9.135 2.451 635 HA2 GLY 81 HA3 GLY 81 -0.204 10.640 0.626 636 HA3 GLY 81 HA2 GLY 81 1.380 10.485 1.418 637 H TYR 82 H TYR 82 0.530 7.370 1.658 638 HA TYR 82 HA TYR 82 0.605 6.622 -1.207 639 HB2 TYR 82 HB1 TYR 82 2.634 5.679 0.840 640 HB3 TYR 82 HB2 TYR 82 2.362 4.897 -0.732 641 HD1 TYR 82 HD1 TYR 82 2.792 6.157 -2.854 642 HD2 TYR 82 HD2 TYR 82 3.946 7.649 1.010 643 HE1 TYR 82 HE1 TYR 82 4.219 7.849 -3.954 644 HE2 TYR 82 HE2 TYR 82 5.363 9.390 -0.086 645 HH TYR 82 HH TYR 82 5.520 9.721 -3.634 646 H HIS 83 H HIS 83 -0.230 4.597 -1.708 647 HA HIS 83 HA HIS 83 -0.795 2.615 0.293 648 HB2 HIS 83 HB1 HIS 83 -3.240 2.588 0.121 649 HB3 HIS 83 HB2 HIS 83 -2.633 4.045 0.915 650 HD1 HIS 83 HD1 HIS 83 -2.732 6.355 -0.676 651 HD2 HIS 83 HD2 HIS 83 -4.562 2.870 -2.156 652 HE1 HIS 83 HE1 HIS 83 -4.008 7.027 -2.770 653 H PHE 84 H PHE 84 -1.558 0.617 -0.663 654 HA PHE 84 HA PHE 84 -1.509 0.520 -3.643 655 HB2 PHE 84 HB1 PHE 84 -1.913 -1.618 -1.533 656 HB3 PHE 84 HB2 PHE 84 -2.226 -1.879 -3.267 657 HD1 PHE 84 HD1 PHE 84 -0.360 -1.838 -4.923 658 HD2 PHE 84 HD2 PHE 84 0.325 -1.521 -0.691 659 HE1 PHE 84 HE1 PHE 84 2.039 -2.351 -5.274 660 HE2 PHE 84 HE2 PHE 84 2.739 -1.997 -1.042 661 HZ PHE 84 HZ PHE 84 3.596 -2.404 -3.324 662 H MET 85 H MET 85 -3.384 0.327 -4.797 663 HA MET 85 HA MET 85 -6.053 0.616 -3.510 664 HB2 MET 85 HB1 MET 85 -5.155 1.829 -5.766 665 HB3 MET 85 HB2 MET 85 -5.885 0.352 -6.441 666 HG2 MET 85 HG1 MET 85 -7.608 2.011 -6.359 667 HG3 MET 85 HG2 MET 85 -7.956 0.826 -5.093 668 HE1 MET 85 HE1 MET 85 -9.337 2.121 -3.157 669 HE2 MET 85 HE2 MET 85 -9.340 3.896 -3.229 670 HE3 MET 85 HE3 MET 85 -9.686 2.949 -4.694 671 H LEU 86 H LEU 86 -7.309 -1.228 -3.388 672 HA LEU 86 HA LEU 86 -6.304 -3.769 -4.653 673 HB2 LEU 86 HB1 LEU 86 -7.640 -3.120 -2.009 674 HB3 LEU 86 HB2 LEU 86 -7.770 -4.740 -2.747 675 HG LEU 86 HG LEU 86 -5.364 -5.047 -2.576 676 HD11 LEU 86 HD11 LEU 86 -4.439 -2.806 -2.729 677 HD12 LEU 86 HD12 LEU 86 -3.982 -3.496 -1.180 678 HD13 LEU 86 HD13 LEU 86 -5.296 -2.301 -1.253 679 HD21 LEU 86 HD21 LEU 86 -6.631 -4.102 0.033 680 HD22 LEU 86 HD22 LEU 86 -5.262 -5.229 -0.115 681 HD23 LEU 86 HD23 LEU 86 -6.865 -5.701 -0.705 682 H LEU 87 H LEU 87 -7.632 -4.332 -6.359 683 HA LEU 87 HA LEU 87 -10.577 -3.872 -6.027 684 HB2 LEU 87 HB1 LEU 87 -8.899 -3.953 -8.552 685 HB3 LEU 87 HB2 LEU 87 -10.685 -3.993 -8.493 686 HG LEU 87 HG LEU 87 -10.572 -1.709 -7.372 687 HD11 LEU 87 HD11 LEU 87 -8.245 -1.458 -6.698 688 HD12 LEU 87 HD12 LEU 87 -8.544 -0.324 -8.003 689 HD13 LEU 87 HD13 LEU 87 -7.678 -1.834 -8.341 690 HD21 LEU 87 HD21 LEU 87 -10.302 -0.599 -9.574 691 HD22 LEU 87 HD22 LEU 87 -11.234 -2.099 -9.703 692 HD23 LEU 87 HD23 LEU 87 -9.529 -2.076 -10.207 693 H GLY 88 H GLY 88 -11.943 -5.532 -6.504 694 HA2 GLY 88 HA3 GLY 88 -12.673 -7.675 -6.945 695 HA3 GLY 88 HA2 GLY 88 -11.095 -8.040 -7.677 696 H LEU 89 H LEU 89 -11.933 -7.029 -4.324 697 HA LEU 89 HA LEU 89 -10.297 -8.986 -3.146 698 HB2 LEU 89 HB1 LEU 89 -11.466 -8.431 -1.012 699 HB3 LEU 89 HB2 LEU 89 -10.640 -7.125 -1.869 700 HG LEU 89 HG LEU 89 -12.904 -6.302 -2.632 701 HD11 LEU 89 HD11 LEU 89 -14.331 -8.189 -2.614 702 HD12 LEU 89 HD12 LEU 89 -14.871 -7.268 -1.210 703 HD13 LEU 89 HD13 LEU 89 -13.835 -8.679 -0.983 704 HD21 LEU 89 HD21 LEU 89 -12.442 -6.617 0.354 705 HD22 LEU 89 HD22 LEU 89 -13.539 -5.435 -0.371 706 HD23 LEU 89 HD23 LEU 89 -11.801 -5.335 -0.686 707 H LYS 90 H LYS 90 -10.706 -10.556 -1.697 708 HA LYS 90 HA LYS 90 -13.023 -12.307 -2.461 709 HB2 LYS 90 HB1 LYS 90 -10.191 -13.250 -2.117 710 HB3 LYS 90 HB2 LYS 90 -11.634 -14.297 -2.293 711 HG2 LYS 90 HG1 LYS 90 -11.466 -14.141 -4.505 712 HG3 LYS 90 HG2 LYS 90 -11.770 -12.391 -4.407 713 HD2 LYS 90 HD1 LYS 90 -9.330 -12.062 -3.998 714 HD3 LYS 90 HD2 LYS 90 -9.083 -13.755 -4.414 715 HE2 LYS 90 HE1 LYS 90 -10.347 -11.600 -6.167 716 HE3 LYS 90 HE2 LYS 90 -8.701 -12.219 -6.343 717 HZ1 LYS 90 HZ1 LYS 90 -9.677 -14.355 -6.979 718 HZ2 LYS 90 HZ2 LYS 90 -10.221 -13.154 -7.956 719 HZ3 LYS 90 HZ3 LYS 90 -11.204 -13.732 -6.803 720 H ARG 91 H ARG 91 -11.630 -10.737 0.091 721 HA ARG 91 HA ARG 91 -13.664 -12.026 1.846 722 HB2 ARG 91 HB1 ARG 91 -11.064 -10.653 2.600 723 HB3 ARG 91 HB2 ARG 91 -12.419 -10.771 3.735 724 HG2 ARG 91 HG1 ARG 91 -11.180 -13.211 2.438 725 HG3 ARG 91 HG2 ARG 91 -10.544 -12.483 3.940 726 HD2 ARG 91 HD1 ARG 91 -12.772 -12.808 5.002 727 HD3 ARG 91 HD2 ARG 91 -13.337 -13.607 3.517 728 HE ARG 91 HE ARG 91 -12.067 -15.485 4.030 729 HH11 ARG 91 HH12 ARG 91 -11.307 -12.960 6.460 730 HH12 ARG 91 HH11 ARG 91 -10.172 -13.980 7.267 731 HH21 ARG 91 HH22 ARG 91 -10.664 -16.769 5.229 732 HH22 ARG 91 HH21 ARG 91 -9.897 -16.115 6.652 733 HA PRO 92 HA PRO 92 -15.053 -7.629 1.269 734 HB2 PRO 92 HB1 PRO 92 -17.621 -8.014 2.118 735 HB3 PRO 92 HB2 PRO 92 -17.114 -8.308 0.424 736 HG2 PRO 92 HG1 PRO 92 -17.490 -10.324 2.640 737 HG3 PRO 92 HG2 PRO 92 -18.013 -10.442 0.923 738 HD2 PRO 92 HD1 PRO 92 -15.709 -11.617 1.917 739 HD3 PRO 92 HD2 PRO 92 -15.861 -11.048 0.227 740 H LEU 93 H LEU 93 -14.410 -6.399 3.060 741 HA LEU 93 HA LEU 93 -13.351 -8.040 5.096 742 HB2 LEU 93 HB1 LEU 93 -13.064 -5.070 4.548 743 HB3 LEU 93 HB2 LEU 93 -11.977 -6.067 5.532 744 HG LEU 93 HG LEU 93 -12.380 -6.485 2.555 745 HD11 LEU 93 HD11 LEU 93 -11.480 -4.233 2.929 746 HD12 LEU 93 HD12 LEU 93 -10.264 -5.302 2.217 747 HD13 LEU 93 HD13 LEU 93 -10.185 -4.903 3.944 748 HD21 LEU 93 HD21 LEU 93 -10.310 -7.775 2.693 749 HD22 LEU 93 HD22 LEU 93 -11.476 -8.432 3.856 750 HD23 LEU 93 HD23 LEU 93 -10.151 -7.399 4.420 751 H LYS 94 H LYS 94 -12.899 -6.904 7.001 752 HA LYS 94 HA LYS 94 -15.115 -5.586 8.528 753 HB2 LYS 94 HB1 LYS 94 -13.273 -7.667 9.743 754 HB3 LYS 94 HB2 LYS 94 -14.698 -6.948 10.499 755 HG2 LYS 94 HG1 LYS 94 -14.707 -8.891 8.167 756 HG3 LYS 94 HG2 LYS 94 -15.036 -9.302 9.867 757 HD2 LYS 94 HD1 LYS 94 -17.110 -8.255 9.862 758 HD3 LYS 94 HD2 LYS 94 -16.728 -7.191 8.498 759 HE2 LYS 94 HE1 LYS 94 -17.079 -10.210 8.284 760 HE3 LYS 94 HE2 LYS 94 -18.334 -9.001 7.917 761 HZ1 LYS 94 HZ1 LYS 94 -16.766 -8.075 6.253 762 HZ2 LYS 94 HZ2 LYS 94 -17.166 -9.625 5.883 763 HZ3 LYS 94 HZ3 LYS 94 -15.713 -9.258 6.535 764 H ALA 95 H ALA 95 -13.852 -5.129 10.858 765 HA ALA 95 HA ALA 95 -11.071 -4.219 10.404 766 HB1 ALA 95 HB1 ALA 95 -12.418 -2.349 11.343 767 HB2 ALA 95 HB2 ALA 95 -13.019 -3.422 12.631 768 HB3 ALA 95 HB3 ALA 95 -11.302 -2.992 12.555 769 H GLY 96 H GLY 96 -9.644 -5.181 12.055 770 HA2 GLY 96 HA3 GLY 96 -8.961 -6.783 13.572 771 HA3 GLY 96 HA2 GLY 96 -10.656 -7.261 13.818 772 H GLU 97 H GLU 97 -10.092 -7.476 10.518 773 HA GLU 97 HA GLU 97 -9.229 -10.327 10.549 774 HB2 GLU 97 HB1 GLU 97 -9.986 -8.453 8.283 775 HB3 GLU 97 HB2 GLU 97 -9.315 -10.092 8.031 776 HG2 GLU 97 HG1 GLU 97 -11.177 -11.071 9.264 777 HG3 GLU 97 HG2 GLU 97 -11.923 -9.481 9.430 778 H GLU 98 H GLU 98 -7.532 -10.467 8.440 779 HA GLU 98 HA GLU 98 -5.338 -8.732 8.561 780 HB2 GLU 98 HB1 GLU 98 -3.693 -10.311 9.427 781 HB3 GLU 98 HB2 GLU 98 -4.896 -9.947 10.680 782 HG2 GLU 98 HG1 GLU 98 -6.056 -12.099 10.097 783 HG3 GLU 98 HG2 GLU 98 -4.741 -12.469 8.961 784 H VAL 99 H VAL 99 -3.977 -9.209 6.998 785 HA VAL 99 HA VAL 99 -4.781 -11.115 4.830 786 HB VAL 99 HB VAL 99 -4.638 -8.068 4.687 787 HG11 VAL 99 HG11 VAL 99 -5.228 -8.372 2.242 788 HG12 VAL 99 HG12 VAL 99 -3.578 -8.828 2.660 789 HG13 VAL 99 HG13 VAL 99 -4.801 -10.093 2.423 790 HG21 VAL 99 HG21 VAL 99 -6.985 -8.314 3.815 791 HG22 VAL 99 HG22 VAL 99 -6.897 -10.056 4.170 792 HG23 VAL 99 HG23 VAL 99 -6.812 -8.874 5.478 793 H GLU 100 H GLU 100 -3.076 -12.114 4.075 794 HA GLU 100 HA GLU 100 -0.385 -10.941 4.226 795 HB2 GLU 100 HB1 GLU 100 0.500 -12.930 3.348 796 HB3 GLU 100 HB2 GLU 100 -0.590 -13.337 4.673 797 HG2 GLU 100 HG1 GLU 100 -2.140 -14.352 3.229 798 HG3 GLU 100 HG2 GLU 100 -1.543 -13.484 1.796 799 H LEU 101 H LEU 101 0.962 -10.587 2.476 800 HA LEU 101 HA LEU 101 -0.120 -10.354 -0.227 801 HB2 LEU 101 HB1 LEU 101 -0.975 -8.367 0.697 802 HB3 LEU 101 HB2 LEU 101 0.505 -8.004 1.584 803 HG LEU 101 HG LEU 101 0.548 -7.946 -1.439 804 HD11 LEU 101 HD11 LEU 101 -0.207 -5.545 -1.293 805 HD12 LEU 101 HD12 LEU 101 -0.708 -5.867 0.380 806 HD13 LEU 101 HD13 LEU 101 -1.470 -6.740 -0.961 807 HD21 LEU 101 HD21 LEU 101 2.000 -6.434 0.761 808 HD22 LEU 101 HD22 LEU 101 2.112 -6.032 -0.969 809 HD23 LEU 101 HD23 LEU 101 2.669 -7.595 -0.381 810 H ASP 102 H ASP 102 1.362 -10.593 -1.711 811 HA ASP 102 HA ASP 102 4.267 -11.025 -1.238 812 HB2 ASP 102 HB1 ASP 102 2.248 -11.391 -3.391 813 HB3 ASP 102 HB2 ASP 102 3.853 -10.933 -3.962 814 H LEU 103 H LEU 103 5.740 -9.367 -1.486 815 HA LEU 103 HA LEU 103 4.872 -6.791 -2.728 816 HB2 LEU 103 HB1 LEU 103 7.168 -7.579 -0.904 817 HB3 LEU 103 HB2 LEU 103 7.026 -6.001 -1.718 818 HG LEU 103 HG LEU 103 4.692 -5.892 -0.496 819 HD11 LEU 103 HD11 LEU 103 4.711 -6.977 1.729 820 HD12 LEU 103 HD12 LEU 103 6.229 -7.812 1.310 821 HD13 LEU 103 HD13 LEU 103 4.730 -8.207 0.467 822 HD21 LEU 103 HD21 LEU 103 7.367 -5.575 0.919 823 HD22 LEU 103 HD22 LEU 103 5.844 -4.872 1.487 824 HD23 LEU 103 HD23 LEU 103 6.513 -4.362 -0.070 825 H LEU 104 H LEU 104 5.464 -6.436 -4.802 826 HA LEU 104 HA LEU 104 7.461 -8.237 -6.050 827 HB2 LEU 104 HB1 LEU 104 5.590 -6.167 -7.233 828 HB3 LEU 104 HB2 LEU 104 6.652 -7.211 -8.171 829 HG LEU 104 HG LEU 104 4.289 -8.080 -6.447 830 HD11 LEU 104 HD11 LEU 104 3.279 -8.755 -8.601 831 HD12 LEU 104 HD12 LEU 104 4.683 -8.096 -9.470 832 HD13 LEU 104 HD13 LEU 104 3.603 -7.023 -8.552 833 HD21 LEU 104 HD21 LEU 104 6.147 -9.785 -8.178 834 HD22 LEU 104 HD22 LEU 104 4.647 -10.350 -7.407 835 HD23 LEU 104 HD23 LEU 104 6.009 -9.844 -6.410 836 H PHE 105 H PHE 105 9.453 -7.746 -5.830 837 HA PHE 105 HA PHE 105 10.334 -4.929 -5.615 838 HB2 PHE 105 HB1 PHE 105 11.475 -7.573 -4.721 839 HB3 PHE 105 HB2 PHE 105 12.442 -6.087 -4.749 840 HD1 PHE 105 HD1 PHE 105 11.117 -3.965 -3.639 841 HD2 PHE 105 HD2 PHE 105 10.481 -8.127 -2.686 842 HE1 PHE 105 HE1 PHE 105 10.340 -3.327 -1.387 843 HE2 PHE 105 HE2 PHE 105 9.664 -7.473 -0.437 844 HZ PHE 105 HZ PHE 105 9.642 -5.084 0.235 845 H ALA 106 H ALA 106 11.185 -4.064 -7.371 846 HA ALA 106 HA ALA 106 12.168 -3.709 -9.395 847 HB1 ALA 106 HB1 ALA 106 14.466 -4.541 -9.515 848 HB2 ALA 106 HB2 ALA 106 14.081 -4.087 -7.842 849 HB3 ALA 106 HB3 ALA 106 14.111 -5.801 -8.321 850 H GLY 107 H GLY 107 10.107 -5.838 -9.426 851 HA2 GLY 107 HA3 GLY 107 9.112 -7.213 -10.982 852 HA3 GLY 107 HA2 GLY 107 10.505 -6.995 -12.064 853 H GLY 108 H GLY 108 12.601 -7.990 -10.918 854 HA2 GLY 108 HA3 GLY 108 12.072 -10.823 -11.162 855 HA3 GLY 108 HA2 GLY 108 13.662 -10.030 -11.087 856 H LYS 109 H LYS 109 11.866 -9.204 -8.288 857 HA LYS 109 HA LYS 109 12.496 -11.675 -6.781 858 HB2 LYS 109 HB1 LYS 109 13.209 -8.815 -5.987 859 HB3 LYS 109 HB2 LYS 109 13.234 -10.223 -4.881 860 HG2 LYS 109 HG1 LYS 109 15.410 -10.180 -5.420 861 HG3 LYS 109 HG2 LYS 109 14.843 -11.236 -6.700 862 HD2 LYS 109 HD1 LYS 109 14.698 -9.009 -8.116 863 HD3 LYS 109 HD2 LYS 109 15.679 -8.312 -6.792 864 HE2 LYS 109 HE1 LYS 109 17.250 -9.012 -8.441 865 HE3 LYS 109 HE2 LYS 109 17.309 -10.239 -7.160 866 HZ1 LYS 109 HZ1 LYS 109 15.688 -11.508 -8.632 867 HZ2 LYS 109 HZ2 LYS 109 17.215 -11.368 -9.240 868 HZ3 LYS 109 HZ3 LYS 109 15.992 -10.432 -9.808 869 H VAL 110 H VAL 110 11.170 -12.056 -4.986 870 HA VAL 110 HA VAL 110 9.011 -10.209 -4.374 871 HB VAL 110 HB VAL 110 8.248 -11.629 -6.220 872 HG11 VAL 110 HG11 VAL 110 7.789 -14.006 -5.981 873 HG12 VAL 110 HG12 VAL 110 9.518 -13.690 -5.787 874 HG13 VAL 110 HG13 VAL 110 8.509 -14.019 -4.360 875 HG21 VAL 110 HG21 VAL 110 6.755 -12.353 -3.657 876 HG22 VAL 110 HG22 VAL 110 6.630 -10.781 -4.457 877 HG23 VAL 110 HG23 VAL 110 6.081 -12.245 -5.294 878 H LEU 111 H LEU 111 8.102 -10.494 -2.346 879 HA LEU 111 HA LEU 111 8.821 -12.699 -0.558 880 HB2 LEU 111 HB1 LEU 111 10.792 -11.245 -0.330 881 HB3 LEU 111 HB2 LEU 111 9.731 -9.820 -0.140 882 HG LEU 111 HG LEU 111 8.944 -10.697 2.035 883 HD11 LEU 111 HD11 LEU 111 10.969 -12.937 1.566 884 HD12 LEU 111 HD12 LEU 111 9.204 -13.123 1.695 885 HD13 LEU 111 HD13 LEU 111 10.138 -12.605 3.102 886 HD21 LEU 111 HD21 LEU 111 11.036 -10.309 3.273 887 HD22 LEU 111 HD22 LEU 111 10.872 -9.167 1.928 888 HD23 LEU 111 HD23 LEU 111 11.980 -10.553 1.786 889 H LYS 112 H LYS 112 7.022 -13.006 0.830 890 HA LYS 112 HA LYS 112 5.030 -10.817 0.765 891 HB2 LYS 112 HB1 LYS 112 3.362 -12.348 1.485 892 HB3 LYS 112 HB2 LYS 112 4.159 -12.880 -0.003 893 HG2 LYS 112 HG1 LYS 112 5.403 -14.589 1.299 894 HG3 LYS 112 HG2 LYS 112 4.580 -14.040 2.781 895 HD2 LYS 112 HD1 LYS 112 2.383 -14.474 1.736 896 HD3 LYS 112 HD2 LYS 112 3.177 -15.024 0.246 897 HE2 LYS 112 HE1 LYS 112 4.134 -16.941 1.425 898 HE3 LYS 112 HE2 LYS 112 3.510 -16.318 2.978 899 HZ1 LYS 112 HZ1 LYS 112 2.035 -18.026 1.981 900 HZ2 LYS 112 HZ2 LYS 112 1.739 -16.982 0.706 901 HZ3 LYS 112 HZ3 LYS 112 1.301 -16.575 2.176 902 H VAL 113 H VAL 113 3.963 -10.027 2.397 903 HA VAL 113 HA VAL 113 4.936 -10.412 5.201 904 HB VAL 113 HB VAL 113 4.454 -7.694 3.943 905 HG11 VAL 113 HG11 VAL 113 3.892 -7.412 6.224 906 HG12 VAL 113 HG12 VAL 113 5.249 -8.430 6.774 907 HG13 VAL 113 HG13 VAL 113 5.531 -6.818 6.084 908 HG21 VAL 113 HG21 VAL 113 6.886 -7.289 4.235 909 HG22 VAL 113 HG22 VAL 113 7.088 -8.896 4.966 910 HG23 VAL 113 HG23 VAL 113 6.689 -8.737 3.253 911 H VAL 114 H VAL 114 3.268 -9.190 6.681 912 HA VAL 114 HA VAL 114 0.507 -9.815 5.783 913 HB VAL 114 HB VAL 114 1.615 -10.812 8.437 914 HG11 VAL 114 HG11 VAL 114 -0.831 -10.483 8.434 915 HG12 VAL 114 HG12 VAL 114 -0.974 -11.400 6.916 916 HG13 VAL 114 HG13 VAL 114 -0.474 -12.208 8.415 917 HG21 VAL 114 HG21 VAL 114 1.253 -12.380 5.851 918 HG22 VAL 114 HG22 VAL 114 2.764 -12.128 6.748 919 HG23 VAL 114 HG23 VAL 114 1.488 -13.120 7.449 920 H LEU 115 H LEU 115 -1.076 -8.660 6.866 921 HA LEU 115 HA LEU 115 -0.344 -6.740 8.935 922 HB2 LEU 115 HB1 LEU 115 -1.324 -4.845 7.607 923 HB3 LEU 115 HB2 LEU 115 0.320 -5.351 7.222 924 HG LEU 115 HG LEU 115 -2.043 -6.351 5.576 925 HD11 LEU 115 HD11 LEU 115 -2.357 -3.981 5.679 926 HD12 LEU 115 HD12 LEU 115 -1.662 -4.345 4.100 927 HD13 LEU 115 HD13 LEU 115 -0.647 -3.653 5.399 928 HD21 LEU 115 HD21 LEU 115 0.919 -5.853 5.043 929 HD22 LEU 115 HD22 LEU 115 -0.259 -6.210 3.753 930 HD23 LEU 115 HD23 LEU 115 0.071 -7.402 5.005 931 HA PRO 116 HA PRO 116 -4.696 -7.468 9.980 932 HB2 PRO 116 HB1 PRO 116 -5.232 -5.295 11.543 933 HB3 PRO 116 HB2 PRO 116 -4.259 -6.700 12.077 934 HG2 PRO 116 HG1 PRO 116 -3.247 -4.075 10.938 935 HG3 PRO 116 HG2 PRO 116 -2.713 -4.905 12.443 936 HD2 PRO 116 HD1 PRO 116 -1.324 -5.210 10.149 937 HD3 PRO 116 HD2 PRO 116 -1.631 -6.623 11.204 938 H VAL 117 H VAL 117 -6.839 -6.518 9.636 939 HA VAL 117 HA VAL 117 -6.958 -4.209 7.718 940 HB VAL 117 HB VAL 117 -9.276 -6.050 8.409 941 HG11 VAL 117 HG11 VAL 117 -8.744 -4.179 6.042 942 HG12 VAL 117 HG12 VAL 117 -10.186 -5.169 6.292 943 HG13 VAL 117 HG13 VAL 117 -9.832 -3.847 7.399 944 HG21 VAL 117 HG21 VAL 117 -7.387 -6.415 6.041 945 HG22 VAL 117 HG22 VAL 117 -7.573 -7.517 7.413 946 HG23 VAL 117 HG23 VAL 117 -8.920 -7.264 6.312 947 H GLU 118 H GLU 118 -7.918 -2.260 8.515 948 HA GLU 118 HA GLU 118 -9.466 -2.337 10.992 949 HB2 GLU 118 HB1 GLU 118 -7.030 -2.224 11.446 950 HB3 GLU 118 HB2 GLU 118 -6.910 -0.769 10.445 951 HG2 GLU 118 HG1 GLU 118 -6.994 -0.313 12.895 952 HG3 GLU 118 HG2 GLU 118 -8.262 0.454 11.904 953 H ALA 119 H ALA 119 -10.330 -0.131 11.476 954 HA ALA 119 HA ALA 119 -12.130 0.339 9.359 955 HB1 ALA 119 HB1 ALA 119 -12.642 0.059 11.767 956 HB2 ALA 119 HB2 ALA 119 -11.890 1.626 12.099 957 HB3 ALA 119 HB3 ALA 119 -13.367 1.532 11.109 958 H ARG 120 H ARG 120 -13.123 2.774 9.546 959 HA ARG 120 HA ARG 120 -11.578 4.266 7.571 960 HB2 ARG 120 HB1 ARG 120 -13.766 4.237 6.978 961 HB3 ARG 120 HB2 ARG 120 -14.358 4.215 8.659 962 HG2 ARG 120 HG1 ARG 120 -15.072 6.181 7.409 963 HG3 ARG 120 HG2 ARG 120 -14.159 6.568 8.866 964 HD2 ARG 120 HD1 ARG 120 -12.129 6.781 7.187 965 HD3 ARG 120 HD2 ARG 120 -13.406 6.886 5.955 966 HE ARG 120 HE ARG 120 -13.851 9.029 6.646 967 HH11 ARG 120 HH12 ARG 120 -12.087 7.558 9.400 968 HH12 ARG 120 HH11 ARG 120 -11.893 9.086 10.146 969 HH21 ARG 120 HH22 ARG 120 -13.563 10.917 7.770 970 HH22 ARG 120 HH21 ARG 120 -12.721 10.892 9.295 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 2.388 -5.804 16.734 2 H2 GLY 1 2H GLY 1 3.562 -6.394 15.763 3 H3 GLY 1 3H GLY 1 3.835 -5.049 16.645 4 HA2 GLY 1 HA3 GLY 1 3.423 -7.778 17.732 5 HA3 GLY 1 HA2 GLY 1 4.955 -6.875 17.734 6 H SER 2 H SER 2 5.367 -5.748 19.678 7 HA SER 2 HA SER 2 3.275 -3.980 20.745 8 HB2 SER 2 HB1 SER 2 6.243 -3.504 20.236 9 HB3 SER 2 HB2 SER 2 5.141 -2.439 21.138 10 HG SER 2 HG SER 2 6.304 -3.777 22.576 11 H PHE 3 H PHE 3 2.259 -2.389 19.446 12 HA PHE 3 HA PHE 3 2.465 -3.087 16.683 13 HB2 PHE 3 HB1 PHE 3 0.639 -1.203 18.168 14 HB3 PHE 3 HB2 PHE 3 0.488 -1.588 16.439 15 HD1 PHE 3 HD2 PHE 3 0.267 -4.055 15.753 16 HD2 PHE 3 HD1 PHE 3 -0.302 -2.679 19.804 17 HE1 PHE 3 HE2 PHE 3 -0.911 -6.166 16.308 18 HE2 PHE 3 HE1 PHE 3 -1.478 -4.795 20.351 19 HZ PHE 3 HZ PHE 3 -1.785 -6.540 18.608 20 H THR 4 H THR 4 3.532 -2.321 15.141 21 HA THR 4 HA THR 4 3.817 0.433 14.405 22 HB THR 4 HB THR 4 5.423 0.545 16.160 23 HG1 THR 4 HG1 THR 4 6.382 0.462 13.534 24 HG21 THR 4 HG21 THR 4 6.968 -1.694 14.772 25 HG22 THR 4 HG22 THR 4 6.200 -1.780 16.370 26 HG23 THR 4 HG23 THR 4 7.561 -0.678 16.100 27 H GLU 5 H GLU 5 2.671 -1.576 13.252 28 HA GLU 5 HA GLU 5 4.207 -2.008 10.776 29 HB2 GLU 5 HB1 GLU 5 2.289 -4.124 11.717 30 HB3 GLU 5 HB2 GLU 5 3.545 -4.200 10.451 31 HG2 GLU 5 HG1 GLU 5 4.628 -5.433 11.970 32 HG3 GLU 5 HG2 GLU 5 5.139 -3.895 12.630 33 H GLY 6 H GLY 6 2.278 -2.870 9.102 34 HA2 GLY 6 HA3 GLY 6 0.590 -0.441 9.034 35 HA3 GLY 6 HA2 GLY 6 1.036 -1.468 7.653 36 H TRP 7 H TRP 7 -1.396 -0.881 7.399 37 HA TRP 7 HA TRP 7 -2.909 -3.235 8.240 38 HB2 TRP 7 HB1 TRP 7 -4.738 -2.087 9.164 39 HB3 TRP 7 HB2 TRP 7 -3.312 -1.413 9.945 40 HD1 TRP 7 HD TRP 7 -6.372 -0.489 8.060 41 HE1 TRP 7 HE1 TRP 7 -6.510 2.015 7.636 42 HE3 TRP 7 3HE TRP 7 -1.576 0.793 9.339 43 HZ2 TRP 7 HZ2 TRP 7 -4.741 4.301 7.758 44 HZ3 TRP 7 HZ3 TRP 7 -0.822 3.136 9.140 45 HH2 TRP 7 HH TRP 7 -2.383 4.905 8.374 46 H VAL 8 H VAL 8 -4.811 -3.684 7.025 47 HA VAL 8 HA VAL 8 -4.905 -2.404 4.305 48 HB VAL 8 HB VAL 8 -6.171 -4.920 5.400 49 HG11 VAL 8 HG11 VAL 8 -6.973 -5.341 3.070 50 HG12 VAL 8 HG12 VAL 8 -7.766 -3.945 3.800 51 HG13 VAL 8 HG13 VAL 8 -6.463 -3.699 2.615 52 HG21 VAL 8 HG21 VAL 8 -3.994 -4.396 3.327 53 HG22 VAL 8 HG22 VAL 8 -3.796 -5.178 4.911 54 HG23 VAL 8 HG23 VAL 8 -4.719 -5.974 3.634 55 H ARG 9 H ARG 9 -6.633 -1.144 3.656 56 HA ARG 9 HA ARG 9 -7.697 0.354 5.791 57 HB2 ARG 9 HB1 ARG 9 -6.913 1.081 3.517 58 HB3 ARG 9 HB2 ARG 9 -8.440 0.511 2.841 59 HG2 ARG 9 HG1 ARG 9 -8.753 2.324 5.157 60 HG3 ARG 9 HG2 ARG 9 -7.906 3.072 3.780 61 HD2 ARG 9 HD1 ARG 9 -9.743 2.666 2.303 62 HD3 ARG 9 HD2 ARG 9 -10.566 1.640 3.500 63 HE ARG 9 HE ARG 9 -10.116 4.159 4.686 64 HH11 ARG 9 HH12 ARG 9 -12.118 2.839 2.091 65 HH12 ARG 9 HH11 ARG 9 -13.409 3.975 2.377 66 HH21 ARG 9 HH22 ARG 9 -11.853 5.408 5.147 67 HH22 ARG 9 HH21 ARG 9 -13.256 5.471 4.106 68 H PHE 10 H PHE 10 -9.143 -2.434 4.567 69 HA PHE 10 HA PHE 10 -11.229 -3.351 4.530 70 HB2 PHE 10 HB1 PHE 10 -11.812 -3.251 6.652 71 HB3 PHE 10 HB2 PHE 10 -11.222 -1.621 6.900 72 HD1 PHE 10 HD2 PHE 10 -12.844 0.334 5.980 73 HD2 PHE 10 HD1 PHE 10 -14.008 -3.703 6.838 74 HE1 PHE 10 HE2 PHE 10 -15.206 1.067 6.203 75 HE2 PHE 10 HE1 PHE 10 -16.359 -2.982 7.150 76 HZ PHE 10 HZ PHE 10 -16.972 -0.587 6.792 77 H SER 11 H SER 11 -13.633 -2.973 3.846 78 HA SER 11 HA SER 11 -14.482 -0.370 3.301 79 HB2 SER 11 HB1 SER 11 -13.349 -1.899 1.011 80 HB3 SER 11 HB2 SER 11 -14.919 -1.126 0.758 81 HG SER 11 HG SER 11 -12.563 0.043 1.810 82 HA PRO 12 HA PRO 12 -18.347 -2.696 3.291 83 HB2 PRO 12 HB1 PRO 12 -20.145 -0.831 2.567 84 HB3 PRO 12 HB2 PRO 12 -19.159 -0.607 4.046 85 HG2 PRO 12 HG1 PRO 12 -18.617 0.524 1.277 86 HG3 PRO 12 HG2 PRO 12 -18.687 1.421 2.837 87 HD2 PRO 12 HD1 PRO 12 -16.331 0.497 1.741 88 HD3 PRO 12 HD2 PRO 12 -16.603 0.588 3.506 89 H GLY 13 H GLY 13 -16.588 -2.403 0.599 90 HA2 GLY 13 HA3 GLY 13 -18.627 -3.417 -1.255 91 HA3 GLY 13 HA2 GLY 13 -17.845 -1.875 -1.672 92 HA PRO 14 HA PRO 14 -15.605 -5.484 -3.515 93 HB2 PRO 14 HB1 PRO 14 -15.595 -4.728 -6.131 94 HB3 PRO 14 HB2 PRO 14 -17.041 -5.404 -5.334 95 HG2 PRO 14 HG1 PRO 14 -16.358 -2.484 -5.788 96 HG3 PRO 14 HG2 PRO 14 -17.906 -3.328 -6.153 97 HD2 PRO 14 HD1 PRO 14 -17.543 -1.901 -3.853 98 HD3 PRO 14 HD2 PRO 14 -18.496 -3.412 -3.875 99 H ASN 15 H ASN 15 -14.738 -2.045 -3.739 100 HA ASN 15 HA ASN 15 -11.953 -2.758 -4.306 101 HB2 ASN 15 HB1 ASN 15 -11.625 -0.498 -4.852 102 HB3 ASN 15 HB2 ASN 15 -13.100 -0.973 -5.670 103 HD21 ASN 15 HD21 ASN 15 -14.849 0.435 -5.405 104 HD22 ASN 15 HD22 ASN 15 -14.918 1.659 -4.147 105 H ALA 16 H ALA 16 -10.336 -1.624 -3.095 106 HA ALA 16 HA ALA 16 -10.831 -0.440 -0.515 107 HB1 ALA 16 HB1 ALA 16 -9.442 -3.165 -0.667 108 HB2 ALA 16 HB2 ALA 16 -9.533 -2.144 0.786 109 HB3 ALA 16 HB3 ALA 16 -11.005 -2.833 0.091 110 H ALA 17 H ALA 17 -8.438 -0.411 0.572 111 HA ALA 17 HA ALA 17 -6.280 0.246 -1.318 112 HB1 ALA 17 HB1 ALA 17 -7.493 2.398 -0.958 113 HB2 ALA 17 HB2 ALA 17 -7.297 2.212 0.799 114 HB3 ALA 17 HB3 ALA 17 -5.873 2.419 -0.238 115 H ALA 18 H ALA 18 -4.175 0.392 -0.012 116 HA ALA 18 HA ALA 18 -4.286 -0.699 2.733 117 HB1 ALA 18 HB1 ALA 18 -3.023 -2.259 0.440 118 HB2 ALA 18 HB2 ALA 18 -2.941 -2.686 2.153 119 HB3 ALA 18 HB3 ALA 18 -4.502 -2.710 1.318 120 H TYR 19 H TYR 19 -2.379 -0.846 3.852 121 HA TYR 19 HA TYR 19 -0.089 0.819 2.948 122 HB2 TYR 19 HB1 TYR 19 -1.333 1.097 5.689 123 HB3 TYR 19 HB2 TYR 19 -0.266 2.221 4.850 124 HD1 TYR 19 HD1 TYR 19 -1.266 3.380 2.708 125 HD2 TYR 19 HD2 TYR 19 -3.664 1.390 5.681 126 HE1 TYR 19 HE1 TYR 19 -3.323 4.533 1.862 127 HE2 TYR 19 HE2 TYR 19 -5.688 2.559 4.853 128 HH TYR 19 HH TYR 19 -5.529 4.811 2.030 129 H LEU 20 H LEU 20 1.890 0.265 3.915 130 HA LEU 20 HA LEU 20 2.169 -1.503 6.108 131 HB2 LEU 20 HB1 LEU 20 3.114 -3.438 5.066 132 HB3 LEU 20 HB2 LEU 20 1.397 -3.236 4.692 133 HG LEU 20 HG LEU 20 2.489 -4.204 2.862 134 HD11 LEU 20 HD11 LEU 20 1.836 -2.851 1.069 135 HD12 LEU 20 HD12 LEU 20 2.066 -1.340 1.973 136 HD13 LEU 20 HD13 LEU 20 0.737 -2.444 2.394 137 HD21 LEU 20 HD21 LEU 20 4.318 -3.232 1.597 138 HD22 LEU 20 HD22 LEU 20 4.803 -3.492 3.285 139 HD23 LEU 20 HD23 LEU 20 4.407 -1.858 2.713 140 H THR 21 H THR 21 4.277 -2.331 6.428 141 HA THR 21 HA THR 21 6.161 -0.112 6.384 142 HB THR 21 HB THR 21 6.063 -2.811 7.822 143 HG1 THR 21 HG1 THR 21 5.483 -0.185 8.752 144 HG21 THR 21 HG21 THR 21 7.836 -0.367 8.284 145 HG22 THR 21 HG22 THR 21 8.375 -1.980 7.772 146 HG23 THR 21 HG23 THR 21 7.680 -1.765 9.378 147 H LEU 22 H LEU 22 7.842 -0.032 4.974 148 HA LEU 22 HA LEU 22 8.974 -2.572 3.869 149 HB2 LEU 22 HB1 LEU 22 8.956 0.274 2.898 150 HB3 LEU 22 HB2 LEU 22 10.369 -0.743 2.544 151 HG LEU 22 HG LEU 22 8.737 -0.557 0.703 152 HD11 LEU 22 HD11 LEU 22 9.027 -3.401 1.748 153 HD12 LEU 22 HD12 LEU 22 10.312 -2.480 0.936 154 HD13 LEU 22 HD13 LEU 22 8.822 -2.857 0.066 155 HD21 LEU 22 HD21 LEU 22 6.617 -1.715 0.741 156 HD22 LEU 22 HD22 LEU 22 6.654 -0.555 2.084 157 HD23 LEU 22 HD23 LEU 22 6.900 -2.287 2.396 158 H GLU 23 H GLU 23 10.719 -3.294 4.835 159 HA GLU 23 HA GLU 23 12.771 -1.336 5.696 160 HB2 GLU 23 HB1 GLU 23 11.979 -3.895 7.129 161 HB3 GLU 23 HB2 GLU 23 13.555 -3.082 7.346 162 HG2 GLU 23 HG1 GLU 23 12.403 -1.011 7.997 163 HG3 GLU 23 HG2 GLU 23 10.830 -1.804 7.842 164 H ASN 24 H ASN 24 14.379 -1.483 4.351 165 HA ASN 24 HA ASN 24 14.915 -3.981 2.791 166 HB2 ASN 24 HB1 ASN 24 14.839 -1.810 1.625 167 HB3 ASN 24 HB2 ASN 24 16.123 -1.194 2.678 168 HD21 ASN 24 HD21 ASN 24 17.143 -0.876 0.512 169 HD22 ASN 24 HD22 ASN 24 18.094 -2.230 -0.128 170 HA PRO 25 HA PRO 25 18.095 -4.474 6.017 171 HB2 PRO 25 HB1 PRO 25 18.407 -7.175 5.907 172 HB3 PRO 25 HB2 PRO 25 16.897 -6.454 6.540 173 HG2 PRO 25 HG1 PRO 25 17.428 -7.407 3.699 174 HG3 PRO 25 HG2 PRO 25 16.074 -7.902 4.772 175 HD2 PRO 25 HD1 PRO 25 15.795 -5.905 2.945 176 HD3 PRO 25 HD2 PRO 25 15.040 -5.796 4.561 177 H GLY 26 H GLY 26 18.501 -4.832 2.589 178 HA2 GLY 26 HA3 GLY 26 21.200 -5.961 2.796 179 HA3 GLY 26 HA2 GLY 26 20.256 -5.660 1.319 180 H ASP 27 H ASP 27 22.887 -4.989 1.706 181 HA ASP 27 HA ASP 27 23.348 -2.144 2.102 182 HB2 ASP 27 HB1 ASP 27 24.891 -4.620 1.299 183 HB3 ASP 27 HB2 ASP 27 25.587 -3.006 1.101 184 H LEU 28 H LEU 28 21.622 -3.486 -0.072 185 HA LEU 28 HA LEU 28 22.421 -1.870 -2.395 186 HB2 LEU 28 HB1 LEU 28 21.826 -3.701 -3.891 187 HB3 LEU 28 HB2 LEU 28 23.112 -4.142 -2.722 188 HG LEU 28 HG LEU 28 21.080 -5.221 -1.389 189 HD11 LEU 28 HD11 LEU 28 19.379 -6.212 -2.894 190 HD12 LEU 28 HD12 LEU 28 20.026 -5.279 -4.263 191 HD13 LEU 28 HD13 LEU 28 19.248 -4.459 -2.899 192 HD21 LEU 28 HD21 LEU 28 22.251 -6.476 -3.910 193 HD22 LEU 28 HD22 LEU 28 21.498 -7.354 -2.557 194 HD23 LEU 28 HD23 LEU 28 23.000 -6.460 -2.300 195 HA PRO 29 HA PRO 29 18.383 -0.382 -1.822 196 HB2 PRO 29 HB1 PRO 29 17.711 0.732 -4.212 197 HB3 PRO 29 HB2 PRO 29 19.060 1.342 -3.206 198 HG2 PRO 29 HG1 PRO 29 19.198 -0.483 -5.606 199 HG3 PRO 29 HG2 PRO 29 20.252 0.918 -5.209 200 HD2 PRO 29 HD1 PRO 29 20.895 -1.742 -4.708 201 HD3 PRO 29 HD2 PRO 29 21.556 -0.408 -3.748 202 H LEU 30 H LEU 30 16.184 -0.766 -2.029 203 HA LEU 30 HA LEU 30 15.304 -2.905 -3.910 204 HB2 LEU 30 HB1 LEU 30 14.179 -2.019 -1.237 205 HB3 LEU 30 HB2 LEU 30 13.191 -2.917 -2.397 206 HG LEU 30 HG LEU 30 15.839 -3.872 -1.378 207 HD11 LEU 30 HD11 LEU 30 13.050 -4.705 -0.397 208 HD12 LEU 30 HD12 LEU 30 14.107 -3.604 0.487 209 HD13 LEU 30 HD13 LEU 30 14.603 -5.287 0.246 210 HD21 LEU 30 HD21 LEU 30 13.607 -5.436 -2.690 211 HD22 LEU 30 HD22 LEU 30 15.091 -6.116 -2.003 212 HD23 LEU 30 HD23 LEU 30 15.189 -5.042 -3.412 213 H ARG 31 H ARG 31 13.491 -2.623 -4.938 214 HA ARG 31 HA ARG 31 12.305 0.111 -5.234 215 HB2 ARG 31 HB1 ARG 31 14.086 0.028 -6.876 216 HB3 ARG 31 HB2 ARG 31 13.469 -1.513 -7.517 217 HG2 ARG 31 HG1 ARG 31 11.862 -0.506 -8.743 218 HG3 ARG 31 HG2 ARG 31 11.473 0.690 -7.483 219 HD2 ARG 31 HD1 ARG 31 12.311 1.700 -9.569 220 HD3 ARG 31 HD2 ARG 31 13.252 2.113 -8.138 221 HE ARG 31 HE ARG 31 14.052 0.349 -10.400 222 HH11 ARG 31 HH12 ARG 31 15.066 1.997 -7.395 223 HH12 ARG 31 HH11 ARG 31 16.716 1.906 -7.757 224 HH21 ARG 31 HH22 ARG 31 16.282 0.171 -10.797 225 HH22 ARG 31 HH21 ARG 31 17.403 0.834 -9.640 226 H LEU 32 H LEU 32 10.234 -0.273 -4.724 227 HA LEU 32 HA LEU 32 8.986 -2.894 -5.297 228 HB2 LEU 32 HB1 LEU 32 8.756 -1.779 -3.092 229 HB3 LEU 32 HB2 LEU 32 7.882 -0.442 -3.832 230 HG LEU 32 HG LEU 32 6.970 -3.333 -4.222 231 HD11 LEU 32 HD11 LEU 32 7.342 -3.017 -1.808 232 HD12 LEU 32 HD12 LEU 32 5.630 -3.215 -2.190 233 HD13 LEU 32 HD13 LEU 32 6.276 -1.593 -1.822 234 HD21 LEU 32 HD21 LEU 32 5.382 -0.724 -4.046 235 HD22 LEU 32 HD22 LEU 32 4.738 -2.350 -4.388 236 HD23 LEU 32 HD23 LEU 32 5.769 -1.580 -5.550 237 H VAL 33 H VAL 33 8.112 -3.192 -7.227 238 HA VAL 33 HA VAL 33 7.123 -0.835 -8.814 239 HB VAL 33 HB VAL 33 7.390 -2.239 -10.808 240 HG11 VAL 33 HG11 VAL 33 9.352 -0.897 -10.064 241 HG12 VAL 33 HG12 VAL 33 9.950 -2.289 -9.141 242 HG13 VAL 33 HG13 VAL 33 9.834 -2.371 -10.906 243 HG21 VAL 33 HG21 VAL 33 8.595 -4.393 -9.006 244 HG22 VAL 33 HG22 VAL 33 7.023 -4.511 -9.827 245 HG23 VAL 33 HG23 VAL 33 8.509 -4.419 -10.772 246 H GLY 34 H GLY 34 6.114 -3.716 -7.135 247 HA2 GLY 34 HA3 GLY 34 3.330 -3.325 -7.856 248 HA3 GLY 34 HA2 GLY 34 4.043 -4.834 -8.470 249 H ALA 35 H ALA 35 2.097 -5.442 -7.093 250 HA ALA 35 HA ALA 35 3.137 -6.697 -4.696 251 HB1 ALA 35 HB1 ALA 35 0.848 -4.685 -4.553 252 HB2 ALA 35 HB2 ALA 35 1.192 -5.864 -3.270 253 HB3 ALA 35 HB3 ALA 35 2.397 -4.649 -3.676 254 H ARG 36 H ARG 36 1.216 -7.937 -3.666 255 HA ARG 36 HA ARG 36 -1.089 -8.588 -5.212 256 HB2 ARG 36 HB1 ARG 36 0.206 -10.098 -6.447 257 HB3 ARG 36 HB2 ARG 36 1.098 -10.682 -5.042 258 HG2 ARG 36 HG1 ARG 36 -0.889 -11.831 -4.224 259 HG3 ARG 36 HG2 ARG 36 -1.858 -11.224 -5.558 260 HD2 ARG 36 HD1 ARG 36 0.661 -12.758 -6.184 261 HD3 ARG 36 HD2 ARG 36 -0.760 -13.645 -5.561 262 HE ARG 36 HE ARG 36 -1.888 -12.207 -7.521 263 HH11 ARG 36 HH12 ARG 36 1.002 -14.235 -7.579 264 HH12 ARG 36 HH11 ARG 36 0.693 -14.804 -9.194 265 HH21 ARG 36 HH22 ARG 36 -2.213 -12.925 -9.623 266 HH22 ARG 36 HH21 ARG 36 -1.096 -14.035 -10.360 267 H THR 37 H THR 37 -2.284 -10.412 -3.818 268 HA THR 37 HA THR 37 -1.834 -10.622 -1.021 269 HB THR 37 HB THR 37 -2.473 -8.383 -0.753 270 HG1 THR 37 HG1 THR 37 -3.566 -9.388 0.683 271 HG21 THR 37 HG21 THR 37 -4.603 -7.417 -1.646 272 HG22 THR 37 HG22 THR 37 -4.817 -8.872 -2.638 273 HG23 THR 37 HG23 THR 37 -3.443 -7.779 -2.928 274 HA PRO 38 HA PRO 38 -4.742 -13.830 -2.187 275 HB2 PRO 38 HB1 PRO 38 -5.652 -14.745 0.212 276 HB3 PRO 38 HB2 PRO 38 -3.976 -14.980 -0.397 277 HG2 PRO 38 HG1 PRO 38 -4.947 -12.912 1.567 278 HG3 PRO 38 HG2 PRO 38 -3.512 -13.991 1.707 279 HD2 PRO 38 HD1 PRO 38 -3.395 -11.400 0.781 280 HD3 PRO 38 HD2 PRO 38 -2.274 -12.639 0.196 281 H VAL 39 H VAL 39 -5.655 -10.917 -0.778 282 HA VAL 39 HA VAL 39 -8.533 -11.405 -1.472 283 HB VAL 39 HB VAL 39 -9.240 -9.780 0.175 284 HG11 VAL 39 HG11 VAL 39 -7.537 -11.989 1.391 285 HG12 VAL 39 HG12 VAL 39 -8.887 -11.139 2.157 286 HG13 VAL 39 HG13 VAL 39 -9.177 -12.170 0.742 287 HG21 VAL 39 HG21 VAL 39 -7.088 -8.428 0.362 288 HG22 VAL 39 HG22 VAL 39 -7.735 -8.953 1.919 289 HG23 VAL 39 HG23 VAL 39 -6.371 -9.820 1.190 290 H ALA 40 H ALA 40 -6.939 -10.733 -3.558 291 HA ALA 40 HA ALA 40 -8.718 -8.684 -4.502 292 HB1 ALA 40 HB1 ALA 40 -5.748 -7.981 -4.641 293 HB2 ALA 40 HB2 ALA 40 -7.097 -7.042 -5.294 294 HB3 ALA 40 HB3 ALA 40 -6.909 -7.198 -3.547 295 H GLU 41 H GLU 41 -8.858 -8.587 -6.709 296 HA GLU 41 HA GLU 41 -7.587 -10.690 -8.374 297 HB2 GLU 41 HB1 GLU 41 -10.127 -9.860 -8.286 298 HB3 GLU 41 HB2 GLU 41 -9.540 -8.622 -9.407 299 HG2 GLU 41 HG1 GLU 41 -10.189 -10.234 -10.917 300 HG3 GLU 41 HG2 GLU 41 -8.529 -10.779 -10.672 301 H ARG 42 H ARG 42 -7.939 -7.127 -8.134 302 HA ARG 42 HA ARG 42 -5.542 -6.673 -9.869 303 HB2 ARG 42 HB1 ARG 42 -8.056 -5.033 -9.396 304 HB3 ARG 42 HB2 ARG 42 -6.548 -4.290 -9.980 305 HG2 ARG 42 HG1 ARG 42 -6.597 -5.548 -12.003 306 HG3 ARG 42 HG2 ARG 42 -7.908 -6.601 -11.403 307 HD2 ARG 42 HD1 ARG 42 -8.790 -4.995 -12.996 308 HD3 ARG 42 HD2 ARG 42 -9.456 -4.698 -11.383 309 HE ARG 42 HE ARG 42 -7.536 -2.858 -11.341 310 HH11 ARG 42 HH12 ARG 42 -9.553 -3.622 -14.160 311 HH12 ARG 42 HH11 ARG 42 -9.466 -1.980 -14.736 312 HH21 ARG 42 HH22 ARG 42 -7.536 -0.830 -12.076 313 HH22 ARG 42 HH21 ARG 42 -8.312 -0.403 -13.573 314 H VAL 43 H VAL 43 -3.912 -5.839 -8.802 315 HA VAL 43 HA VAL 43 -4.465 -4.019 -6.534 316 HB VAL 43 HB VAL 43 -2.958 -5.977 -5.887 317 HG11 VAL 43 HG11 VAL 43 -0.579 -5.733 -6.369 318 HG12 VAL 43 HG12 VAL 43 -1.485 -6.060 -7.860 319 HG13 VAL 43 HG13 VAL 43 -0.873 -4.425 -7.498 320 HG21 VAL 43 HG21 VAL 43 -1.556 -4.598 -4.456 321 HG22 VAL 43 HG22 VAL 43 -1.853 -3.172 -5.466 322 HG23 VAL 43 HG23 VAL 43 -3.183 -3.917 -4.547 323 H GLU 44 H GLU 44 -3.493 -1.998 -6.695 324 HA GLU 44 HA GLU 44 -1.910 -1.305 -9.130 325 HB2 GLU 44 HB1 GLU 44 -4.301 0.195 -7.986 326 HB3 GLU 44 HB2 GLU 44 -3.137 0.908 -9.130 327 HG2 GLU 44 HG1 GLU 44 -3.801 -0.546 -10.880 328 HG3 GLU 44 HG2 GLU 44 -4.685 -1.623 -9.778 329 H LEU 45 H LEU 45 -0.374 0.354 -8.706 330 HA LEU 45 HA LEU 45 0.064 0.942 -5.811 331 HB2 LEU 45 HB1 LEU 45 1.884 -0.232 -6.970 332 HB3 LEU 45 HB2 LEU 45 1.936 1.054 -8.203 333 HG LEU 45 HG LEU 45 2.553 2.685 -6.396 334 HD11 LEU 45 HD11 LEU 45 3.350 1.907 -4.237 335 HD12 LEU 45 HD12 LEU 45 2.974 0.231 -4.654 336 HD13 LEU 45 HD13 LEU 45 1.664 1.416 -4.399 337 HD21 LEU 45 HD21 LEU 45 4.210 1.542 -7.844 338 HD22 LEU 45 HD22 LEU 45 4.321 0.224 -6.648 339 HD23 LEU 45 HD23 LEU 45 4.867 1.868 -6.228 340 H HIS 46 H HIS 46 -0.590 2.852 -5.122 341 HA HIS 46 HA HIS 46 -0.769 5.154 -7.017 342 HB2 HIS 46 HB1 HIS 46 -2.497 4.291 -4.667 343 HB3 HIS 46 HB2 HIS 46 -2.633 5.883 -5.436 344 HD2 HIS 46 HD2 HIS 46 -2.376 3.470 -8.218 345 HE1 HIS 46 HE1 HIS 46 -6.507 3.513 -7.229 346 HE2 HIS 46 HE2 HIS 46 -4.818 2.754 -8.987 347 H GLU 47 H GLU 47 -0.660 7.162 -6.211 348 HA GLU 47 HA GLU 47 0.399 7.546 -3.459 349 HB2 GLU 47 HB1 GLU 47 1.485 9.495 -4.049 350 HB3 GLU 47 HB2 GLU 47 1.886 8.261 -5.286 351 HG2 GLU 47 HG1 GLU 47 0.513 9.321 -6.913 352 HG3 GLU 47 HG2 GLU 47 -0.149 10.444 -5.709 353 H THR 48 H THR 48 -0.495 9.165 -2.214 354 HA THR 48 HA THR 48 -2.998 10.492 -3.143 355 HB THR 48 HB THR 48 -2.111 9.857 -0.315 356 HG1 THR 48 HG1 THR 48 -3.894 8.587 -0.232 357 HG21 THR 48 HG21 THR 48 -4.378 10.710 0.361 358 HG22 THR 48 HG22 THR 48 -4.609 11.301 -1.294 359 HG23 THR 48 HG23 THR 48 -3.323 11.973 -0.263 360 H PHE 49 H PHE 49 -2.949 12.789 -2.700 361 HA PHE 49 HA PHE 49 -0.530 13.972 -1.500 362 HB2 PHE 49 HB1 PHE 49 -0.222 15.472 -3.474 363 HB3 PHE 49 HB2 PHE 49 0.211 13.782 -3.751 364 HD1 PHE 49 HD1 PHE 49 -2.416 16.372 -4.398 365 HD2 PHE 49 HD2 PHE 49 -0.848 12.522 -5.487 366 HE1 PHE 49 HE1 PHE 49 -3.883 16.342 -6.392 367 HE2 PHE 49 HE2 PHE 49 -2.248 12.504 -7.494 368 HZ PHE 49 HZ PHE 49 -3.780 14.419 -7.985 369 H MET 50 H MET 50 -0.734 16.450 -1.549 370 HA MET 50 HA MET 50 -3.539 17.314 -1.081 371 HB2 MET 50 HB1 MET 50 -1.957 17.467 0.856 372 HB3 MET 50 HB2 MET 50 -0.937 18.564 -0.093 373 HG2 MET 50 HG1 MET 50 -2.814 20.115 -0.347 374 HG3 MET 50 HG2 MET 50 -3.885 18.995 0.495 375 HE1 MET 50 HE1 MET 50 -3.078 19.373 4.186 376 HE2 MET 50 HE2 MET 50 -4.076 18.630 2.921 377 HE3 MET 50 HE3 MET 50 -2.406 18.074 3.185 378 H ARG 51 H ARG 51 -4.290 19.078 -2.271 379 HA ARG 51 HA ARG 51 -2.551 20.357 -4.289 380 HB2 ARG 51 HB1 ARG 51 -3.919 18.067 -4.875 381 HB3 ARG 51 HB2 ARG 51 -5.119 19.264 -5.340 382 HG2 ARG 51 HG1 ARG 51 -2.324 19.744 -6.302 383 HG3 ARG 51 HG2 ARG 51 -3.150 18.312 -6.977 384 HD2 ARG 51 HD1 ARG 51 -4.998 19.707 -7.755 385 HD3 ARG 51 HD2 ARG 51 -4.204 21.139 -7.089 386 HE ARG 51 HE ARG 51 -2.703 19.476 -9.017 387 HH11 ARG 51 HH12 ARG 51 -4.440 22.556 -8.536 388 HH12 ARG 51 HH11 ARG 51 -3.852 23.207 -10.023 389 HH21 ARG 51 HH22 ARG 51 -1.951 20.427 -10.911 390 HH22 ARG 51 HH21 ARG 51 -2.463 22.034 -11.335 391 H GLU 52 H GLU 52 -3.483 22.271 -5.224 392 HA GLU 52 HA GLU 52 -6.046 23.240 -4.142 393 HB2 GLU 52 HB1 GLU 52 -3.424 24.074 -3.499 394 HB3 GLU 52 HB2 GLU 52 -3.987 25.316 -4.608 395 HG2 GLU 52 HG1 GLU 52 -6.070 24.536 -2.690 396 HG3 GLU 52 HG2 GLU 52 -4.575 24.997 -1.886 397 H VAL 53 H VAL 53 -6.413 25.517 -5.173 398 HA VAL 53 HA VAL 53 -6.575 26.245 -7.712 399 HB VAL 53 HB VAL 53 -7.059 24.058 -8.600 400 HG11 VAL 53 HG11 VAL 53 -8.055 22.925 -6.600 401 HG12 VAL 53 HG12 VAL 53 -9.539 23.868 -6.830 402 HG13 VAL 53 HG13 VAL 53 -9.016 22.715 -8.067 403 HG21 VAL 53 HG21 VAL 53 -9.006 24.494 -9.878 404 HG22 VAL 53 HG22 VAL 53 -9.670 25.573 -8.643 405 HG23 VAL 53 HG23 VAL 53 -8.220 26.053 -9.563 406 H GLU 54 H GLU 54 -7.707 28.092 -7.449 407 HA GLU 54 HA GLU 54 -9.057 29.705 -6.698 408 HB2 GLU 54 HB1 GLU 54 -10.923 27.398 -6.080 409 HB3 GLU 54 HB2 GLU 54 -11.425 29.106 -6.089 410 HG2 GLU 54 HG1 GLU 54 -11.106 29.268 -8.468 411 HG3 GLU 54 HG2 GLU 54 -10.473 27.616 -8.543 412 H GLY 55 H GLY 55 -7.471 28.144 -4.476 413 HA2 GLY 55 HA3 GLY 55 -7.026 28.986 -2.272 414 HA3 GLY 55 HA2 GLY 55 -8.676 29.644 -2.199 415 H LYS 56 H LYS 56 -8.487 26.433 -3.465 416 HA LYS 56 HA LYS 56 -10.038 25.509 -1.072 417 HB2 LYS 56 HB1 LYS 56 -10.413 24.722 -3.976 418 HB3 LYS 56 HB2 LYS 56 -11.416 24.224 -2.599 419 HG2 LYS 56 HG1 LYS 56 -12.238 26.511 -2.327 420 HG3 LYS 56 HG2 LYS 56 -11.146 27.092 -3.610 421 HD2 LYS 56 HD1 LYS 56 -12.280 25.543 -5.218 422 HD3 LYS 56 HD2 LYS 56 -13.453 25.128 -3.959 423 HE2 LYS 56 HE1 LYS 56 -14.240 27.439 -3.862 424 HE3 LYS 56 HE2 LYS 56 -12.891 27.965 -4.919 425 HZ1 LYS 56 HZ1 LYS 56 -14.648 27.807 -6.369 426 HZ2 LYS 56 HZ2 LYS 56 -15.243 26.363 -5.744 427 HZ3 LYS 56 HZ3 LYS 56 -13.852 26.498 -6.637 428 H LYS 57 H LYS 57 -8.636 24.271 0.030 429 HA LYS 57 HA LYS 57 -6.544 22.725 -1.304 430 HB2 LYS 57 HB1 LYS 57 -7.389 22.973 1.592 431 HB3 LYS 57 HB2 LYS 57 -5.992 22.020 1.035 432 HG2 LYS 57 HG1 LYS 57 -5.338 24.154 2.019 433 HG3 LYS 57 HG2 LYS 57 -4.837 24.022 0.327 434 HD2 LYS 57 HD1 LYS 57 -6.554 25.569 -0.362 435 HD3 LYS 57 HD2 LYS 57 -7.300 25.569 1.246 436 HE2 LYS 57 HE1 LYS 57 -5.491 26.807 2.190 437 HE3 LYS 57 HE2 LYS 57 -4.441 26.489 0.783 438 HZ1 LYS 57 HZ1 LYS 57 -6.949 28.023 0.511 439 HZ2 LYS 57 HZ2 LYS 57 -5.715 27.886 -0.537 440 HZ3 LYS 57 HZ3 LYS 57 -5.484 28.753 0.830 441 H VAL 58 H VAL 58 -6.914 20.860 -2.198 442 HA VAL 58 HA VAL 58 -8.981 18.946 -1.150 443 HB VAL 58 HB VAL 58 -8.366 19.718 -4.036 444 HG11 VAL 58 HG11 VAL 58 -10.197 17.511 -2.982 445 HG12 VAL 58 HG12 VAL 58 -10.171 18.095 -4.660 446 HG13 VAL 58 HG13 VAL 58 -8.749 17.299 -3.992 447 HG21 VAL 58 HG21 VAL 58 -10.761 20.362 -4.108 448 HG22 VAL 58 HG22 VAL 58 -10.934 19.938 -2.392 449 HG23 VAL 58 HG23 VAL 58 -9.899 21.291 -2.881 450 H MET 59 H MET 59 -8.333 16.878 -0.958 451 HA MET 59 HA MET 59 -5.508 16.197 -1.556 452 HB2 MET 59 HB1 MET 59 -7.635 14.787 0.080 453 HB3 MET 59 HB2 MET 59 -6.004 14.137 -0.231 454 HG2 MET 59 HG1 MET 59 -4.991 16.083 0.832 455 HG3 MET 59 HG2 MET 59 -6.570 16.823 1.097 456 HE1 MET 59 HE1 MET 59 -7.857 16.671 3.204 457 HE2 MET 59 HE2 MET 59 -8.542 15.236 2.401 458 HE3 MET 59 HE3 MET 59 -8.059 15.157 4.106 459 H GLY 60 H GLY 60 -4.908 14.848 -3.127 460 HA2 GLY 60 HA3 GLY 60 -7.032 13.664 -4.870 461 HA3 GLY 60 HA2 GLY 60 -5.603 14.497 -5.522 462 H MET 61 H MET 61 -5.896 12.102 -6.518 463 HA MET 61 HA MET 61 -3.801 10.415 -5.372 464 HB2 MET 61 HB1 MET 61 -5.721 9.717 -4.102 465 HB3 MET 61 HB2 MET 61 -6.747 9.689 -5.554 466 HG2 MET 61 HG1 MET 61 -5.278 7.832 -6.416 467 HG3 MET 61 HG2 MET 61 -4.520 7.785 -4.829 468 HE1 MET 61 HE1 MET 61 -7.836 8.648 -3.626 469 HE2 MET 61 HE2 MET 61 -8.105 7.069 -2.841 470 HE3 MET 61 HE3 MET 61 -6.540 7.903 -2.652 471 H ARG 62 H ARG 62 -2.787 9.221 -6.801 472 HA ARG 62 HA ARG 62 -3.820 8.764 -9.545 473 HB2 ARG 62 HB1 ARG 62 -1.344 10.330 -8.752 474 HB3 ARG 62 HB2 ARG 62 -1.515 9.642 -10.368 475 HG2 ARG 62 HG1 ARG 62 -3.470 11.626 -9.169 476 HG3 ARG 62 HG2 ARG 62 -2.031 12.068 -10.119 477 HD2 ARG 62 HD1 ARG 62 -3.796 12.165 -11.676 478 HD3 ARG 62 HD2 ARG 62 -3.059 10.589 -11.986 479 HE ARG 62 HE ARG 62 -5.142 10.407 -9.996 480 HH11 ARG 62 HH12 ARG 62 -4.919 10.821 -13.509 481 HH12 ARG 62 HH11 ARG 62 -6.395 9.940 -13.793 482 HH21 ARG 62 HH22 ARG 62 -7.009 9.341 -10.409 483 HH22 ARG 62 HH21 ARG 62 -7.616 9.178 -12.036 484 HA PRO 63 HA PRO 63 -1.300 5.070 -8.988 485 HB2 PRO 63 HB1 PRO 63 -1.098 4.111 -11.501 486 HB3 PRO 63 HB2 PRO 63 -2.652 4.086 -10.616 487 HG2 PRO 63 HG1 PRO 63 -1.695 6.146 -12.626 488 HG3 PRO 63 HG2 PRO 63 -3.282 5.300 -12.579 489 HD2 PRO 63 HD1 PRO 63 -2.902 7.817 -11.528 490 HD3 PRO 63 HD2 PRO 63 -4.036 6.643 -10.801 491 H VAL 64 H VAL 64 0.868 4.423 -9.285 492 HA VAL 64 HA VAL 64 2.697 6.341 -10.655 493 HB VAL 64 HB VAL 64 4.173 6.416 -8.692 494 HG11 VAL 64 HG11 VAL 64 1.381 7.328 -7.928 495 HG12 VAL 64 HG12 VAL 64 2.937 7.985 -7.381 496 HG13 VAL 64 HG13 VAL 64 2.450 8.181 -9.068 497 HG21 VAL 64 HG21 VAL 64 3.429 5.717 -6.461 498 HG22 VAL 64 HG22 VAL 64 1.992 4.956 -7.166 499 HG23 VAL 64 HG23 VAL 64 3.619 4.341 -7.552 500 HA PRO 65 HA PRO 65 4.509 2.745 -12.141 501 HB2 PRO 65 HB1 PRO 65 7.012 3.416 -12.861 502 HB3 PRO 65 HB2 PRO 65 5.582 4.258 -13.532 503 HG2 PRO 65 HG1 PRO 65 7.344 5.148 -11.236 504 HG3 PRO 65 HG2 PRO 65 6.815 6.110 -12.662 505 HD2 PRO 65 HD1 PRO 65 5.534 6.201 -10.229 506 HD3 PRO 65 HD2 PRO 65 4.661 6.382 -11.769 507 H PHE 66 H PHE 66 6.228 3.966 -9.331 508 HA PHE 66 HA PHE 66 6.555 1.450 -8.103 509 HB2 PHE 66 HB1 PHE 66 8.960 1.135 -8.161 510 HB3 PHE 66 HB2 PHE 66 8.305 1.023 -9.783 511 HD1 PHE 66 HD1 PHE 66 8.770 2.751 -11.434 512 HD2 PHE 66 HD2 PHE 66 10.340 3.004 -7.447 513 HE1 PHE 66 HE1 PHE 66 10.296 4.627 -12.141 514 HE2 PHE 66 HE2 PHE 66 11.745 4.916 -8.073 515 HZ PHE 66 HZ PHE 66 11.771 5.717 -10.456 516 H LEU 67 H LEU 67 7.803 1.566 -6.150 517 HA LEU 67 HA LEU 67 8.401 4.298 -5.091 518 HB2 LEU 67 HB1 LEU 67 7.768 1.788 -3.484 519 HB3 LEU 67 HB2 LEU 67 8.093 3.388 -2.827 520 HG LEU 67 HG LEU 67 5.621 2.280 -4.135 521 HD11 LEU 67 HD11 LEU 67 6.020 3.972 -1.637 522 HD12 LEU 67 HD12 LEU 67 5.923 2.191 -1.662 523 HD13 LEU 67 HD13 LEU 67 4.521 3.167 -2.145 524 HD21 LEU 67 HD21 LEU 67 6.129 5.265 -3.781 525 HD22 LEU 67 HD22 LEU 67 4.565 4.498 -4.168 526 HD23 LEU 67 HD23 LEU 67 5.877 4.416 -5.323 527 H GLU 68 H GLU 68 10.335 4.406 -3.800 528 HA GLU 68 HA GLU 68 12.367 2.305 -4.445 529 HB2 GLU 68 HB1 GLU 68 12.772 4.615 -5.350 530 HB3 GLU 68 HB2 GLU 68 12.782 5.221 -3.679 531 HG2 GLU 68 HG1 GLU 68 15.039 5.020 -4.317 532 HG3 GLU 68 HG2 GLU 68 14.751 3.671 -3.229 533 H VAL 69 H VAL 69 13.712 1.534 -2.739 534 HA VAL 69 HA VAL 69 13.429 2.910 -0.166 535 HB VAL 69 HB VAL 69 13.516 -0.139 -0.293 536 HG11 VAL 69 HG11 VAL 69 13.050 1.712 2.075 537 HG12 VAL 69 HG12 VAL 69 13.017 -0.059 2.121 538 HG13 VAL 69 HG13 VAL 69 14.525 0.784 1.759 539 HG21 VAL 69 HG21 VAL 69 11.085 1.546 0.407 540 HG22 VAL 69 HG22 VAL 69 11.281 0.552 -1.059 541 HG23 VAL 69 HG23 VAL 69 11.227 -0.222 0.514 542 HA PRO 70 HA PRO 70 17.844 2.723 -0.887 543 HB2 PRO 70 HB1 PRO 70 18.763 4.003 1.342 544 HB3 PRO 70 HB2 PRO 70 17.897 4.861 0.031 545 HG2 PRO 70 HG1 PRO 70 16.741 3.781 2.621 546 HG3 PRO 70 HG2 PRO 70 16.549 5.433 1.931 547 HD2 PRO 70 HD1 PRO 70 14.668 3.490 1.560 548 HD3 PRO 70 HD2 PRO 70 15.068 4.645 0.258 549 HA PRO 71 HA PRO 71 19.310 -0.802 1.422 550 HB2 PRO 71 HB1 PRO 71 21.958 -0.237 1.929 551 HB3 PRO 71 HB2 PRO 71 21.268 -0.824 0.379 552 HG2 PRO 71 HG1 PRO 71 21.986 1.992 1.130 553 HG3 PRO 71 HG2 PRO 71 22.284 1.090 -0.412 554 HD2 PRO 71 HD1 PRO 71 20.185 2.843 -0.101 555 HD3 PRO 71 HD2 PRO 71 20.050 1.358 -1.090 556 H LYS 72 H LYS 72 19.319 -1.550 3.428 557 HA LYS 72 HA LYS 72 19.037 -1.608 5.674 558 HB2 LYS 72 HB1 LYS 72 21.518 0.110 5.552 559 HB3 LYS 72 HB2 LYS 72 20.975 -0.927 6.903 560 HG2 LYS 72 HG1 LYS 72 20.741 -2.684 4.855 561 HG3 LYS 72 HG2 LYS 72 22.041 -1.709 4.178 562 HD2 LYS 72 HD1 LYS 72 22.138 -2.953 6.952 563 HD3 LYS 72 HD2 LYS 72 22.669 -3.765 5.446 564 HE2 LYS 72 HE1 LYS 72 24.044 -1.508 5.142 565 HE3 LYS 72 HE2 LYS 72 23.865 -1.366 6.883 566 HZ1 LYS 72 HZ1 LYS 72 25.893 -2.566 6.111 567 HZ2 LYS 72 HZ2 LYS 72 24.989 -3.662 5.385 568 HZ3 LYS 72 HZ3 LYS 72 24.940 -3.596 7.033 569 H GLY 73 H GLY 73 17.362 0.020 4.586 570 HA2 GLY 73 HA3 GLY 73 16.794 2.133 6.644 571 HA3 GLY 73 HA2 GLY 73 16.614 2.452 4.903 572 H ARG 74 H ARG 74 14.769 2.389 7.397 573 HA ARG 74 HA ARG 74 12.540 0.775 6.494 574 HB2 ARG 74 HB1 ARG 74 13.149 1.085 8.890 575 HB3 ARG 74 HB2 ARG 74 12.894 2.833 8.719 576 HG2 ARG 74 HG1 ARG 74 10.546 2.486 8.216 577 HG3 ARG 74 HG2 ARG 74 10.809 0.735 8.206 578 HD2 ARG 74 HD1 ARG 74 11.351 0.771 10.584 579 HD3 ARG 74 HD2 ARG 74 11.129 2.533 10.555 580 HE ARG 74 HE ARG 74 8.739 2.180 10.141 581 HH11 ARG 74 HH12 ARG 74 10.334 -0.874 11.159 582 HH12 ARG 74 HH11 ARG 74 8.835 -1.437 11.826 583 HH21 ARG 74 HH22 ARG 74 6.963 1.291 10.724 584 HH22 ARG 74 HH21 ARG 74 6.895 -0.260 11.524 585 H VAL 75 H VAL 75 10.856 1.577 5.442 586 HA VAL 75 HA VAL 75 10.301 4.471 5.032 587 HB VAL 75 HB VAL 75 10.812 2.527 2.721 588 HG11 VAL 75 HG11 VAL 75 10.178 4.433 1.219 589 HG12 VAL 75 HG12 VAL 75 8.818 3.816 2.148 590 HG13 VAL 75 HG13 VAL 75 9.609 5.332 2.645 591 HG21 VAL 75 HG21 VAL 75 12.413 4.282 1.936 592 HG22 VAL 75 HG22 VAL 75 12.113 5.203 3.424 593 HG23 VAL 75 HG23 VAL 75 12.892 3.606 3.491 594 H GLU 76 H GLU 76 7.950 4.769 4.763 595 HA GLU 76 HA GLU 76 6.376 2.239 4.692 596 HB2 GLU 76 HB1 GLU 76 6.141 4.404 6.799 597 HB3 GLU 76 HB2 GLU 76 5.168 2.919 6.625 598 HG2 GLU 76 HG1 GLU 76 7.383 1.646 6.837 599 HG3 GLU 76 HG2 GLU 76 8.093 3.164 7.403 600 H LEU 77 H LEU 77 4.335 2.322 4.102 601 HA LEU 77 HA LEU 77 3.358 4.573 2.477 602 HB2 LEU 77 HB1 LEU 77 2.487 1.715 3.016 603 HB3 LEU 77 HB2 LEU 77 1.532 2.833 2.031 604 HG LEU 77 HG LEU 77 3.905 3.092 0.743 605 HD11 LEU 77 HD11 LEU 77 5.172 1.487 2.149 606 HD12 LEU 77 HD12 LEU 77 4.987 0.864 0.506 607 HD13 LEU 77 HD13 LEU 77 3.963 0.230 1.800 608 HD21 LEU 77 HD21 LEU 77 1.958 2.485 -0.453 609 HD22 LEU 77 HD22 LEU 77 1.819 0.913 0.374 610 HD23 LEU 77 HD23 LEU 77 3.122 1.226 -0.802 611 H LYS 78 H LYS 78 0.950 5.130 2.716 612 HA LYS 78 HA LYS 78 -0.335 5.030 5.280 613 HB2 LYS 78 HB1 LYS 78 -0.094 7.366 5.967 614 HB3 LYS 78 HB2 LYS 78 1.458 6.536 5.975 615 HG2 LYS 78 HG1 LYS 78 1.293 7.693 3.407 616 HG3 LYS 78 HG2 LYS 78 0.534 8.902 4.469 617 HD2 LYS 78 HD1 LYS 78 2.893 9.425 4.305 618 HD3 LYS 78 HD2 LYS 78 2.596 8.795 5.937 619 HE2 LYS 78 HE1 LYS 78 3.349 6.551 5.192 620 HE3 LYS 78 HE2 LYS 78 3.590 7.162 3.543 621 HZ1 LYS 78 HZ1 LYS 78 5.623 7.033 4.640 622 HZ2 LYS 78 HZ2 LYS 78 5.127 7.880 5.958 623 HZ3 LYS 78 HZ3 LYS 78 5.306 8.650 4.501 624 HA PRO 79 HA PRO 79 -3.869 6.386 2.868 625 HB2 PRO 79 HB1 PRO 79 -5.310 7.941 4.652 626 HB3 PRO 79 HB2 PRO 79 -5.305 6.153 4.620 627 HG2 PRO 79 HG1 PRO 79 -3.643 7.987 6.355 628 HG3 PRO 79 HG2 PRO 79 -4.563 6.521 6.843 629 HD2 PRO 79 HD1 PRO 79 -1.903 6.373 6.413 630 HD3 PRO 79 HD2 PRO 79 -2.978 5.087 5.776 631 H GLY 80 H GLY 80 -2.591 9.136 4.812 632 HA2 GLY 80 HA3 GLY 80 -3.082 11.090 2.749 633 HA3 GLY 80 HA2 GLY 80 -2.131 11.304 4.236 634 H GLY 81 H GLY 81 -1.540 8.890 1.691 635 HA2 GLY 81 HA3 GLY 81 0.135 10.261 0.001 636 HA3 GLY 81 HA2 GLY 81 1.225 9.618 1.251 637 H TYR 82 H TYR 82 2.312 8.003 0.199 638 HA TYR 82 HA TYR 82 1.163 6.550 -1.929 639 HB2 TYR 82 HB1 TYR 82 3.625 5.935 -0.281 640 HB3 TYR 82 HB2 TYR 82 3.168 5.100 -1.786 641 HD1 TYR 82 HD1 TYR 82 3.163 6.246 -3.933 642 HD2 TYR 82 HD2 TYR 82 4.527 8.233 -0.359 643 HE1 TYR 82 HE1 TYR 82 4.104 8.063 -5.305 644 HE2 TYR 82 HE2 TYR 82 5.359 10.129 -1.747 645 HH TYR 82 HH TYR 82 4.540 10.380 -5.182 646 H HIS 83 H HIS 83 0.353 4.604 -2.228 647 HA HIS 83 HA HIS 83 -0.170 2.681 -0.096 648 HB2 HIS 83 HB1 HIS 83 -2.488 3.024 0.173 649 HB3 HIS 83 HB2 HIS 83 -1.619 4.515 0.561 650 HD1 HIS 83 HD1 HIS 83 -1.952 6.564 -1.270 651 HD2 HIS 83 HD2 HIS 83 -4.237 3.064 -1.825 652 HE1 HIS 83 HE1 HIS 83 -3.641 7.087 -3.086 653 H PHE 84 H PHE 84 -1.353 0.815 -0.812 654 HA PHE 84 HA PHE 84 -1.355 0.438 -3.766 655 HB2 PHE 84 HB1 PHE 84 -1.974 -1.420 -1.434 656 HB3 PHE 84 HB2 PHE 84 -2.071 -1.880 -3.145 657 HD1 PHE 84 HD2 PHE 84 -0.053 -1.899 -4.569 658 HD2 PHE 84 HD1 PHE 84 0.176 -1.123 -0.334 659 HE1 PHE 84 HE2 PHE 84 2.393 -2.237 -4.639 660 HE2 PHE 84 HE1 PHE 84 2.653 -1.400 -0.429 661 HZ PHE 84 HZ PHE 84 3.746 -1.960 -2.542 662 H MET 85 H MET 85 -3.314 0.119 -4.890 663 HA MET 85 HA MET 85 -5.931 0.491 -3.475 664 HB2 MET 85 HB1 MET 85 -5.136 1.797 -5.700 665 HB3 MET 85 HB2 MET 85 -5.893 0.369 -6.431 666 HG2 MET 85 HG1 MET 85 -7.611 2.001 -6.198 667 HG3 MET 85 HG2 MET 85 -7.906 0.782 -4.953 668 HE1 MET 85 HE1 MET 85 -9.562 3.115 -4.730 669 HE2 MET 85 HE2 MET 85 -9.423 2.167 -3.234 670 HE3 MET 85 HE3 MET 85 -9.281 3.933 -3.173 671 H LEU 86 H LEU 86 -7.311 -1.301 -3.443 672 HA LEU 86 HA LEU 86 -6.432 -3.819 -4.839 673 HB2 LEU 86 HB1 LEU 86 -7.644 -3.285 -2.106 674 HB3 LEU 86 HB2 LEU 86 -7.760 -4.878 -2.900 675 HG LEU 86 HG LEU 86 -5.339 -5.141 -2.795 676 HD11 LEU 86 HD11 LEU 86 -5.311 -2.451 -1.343 677 HD12 LEU 86 HD12 LEU 86 -4.434 -2.881 -2.832 678 HD13 LEU 86 HD13 LEU 86 -3.980 -3.633 -1.314 679 HD21 LEU 86 HD21 LEU 86 -6.811 -5.911 -0.955 680 HD22 LEU 86 HD22 LEU 86 -6.643 -4.332 -0.154 681 HD23 LEU 86 HD23 LEU 86 -5.235 -5.405 -0.320 682 H LEU 87 H LEU 87 -8.014 -4.827 -6.060 683 HA LEU 87 HA LEU 87 -10.862 -4.192 -5.518 684 HB2 LEU 87 HB1 LEU 87 -9.756 -4.208 -8.341 685 HB3 LEU 87 HB2 LEU 87 -11.443 -3.960 -7.823 686 HG LEU 87 HG LEU 87 -10.373 -1.836 -6.593 687 HD11 LEU 87 HD11 LEU 87 -8.604 -0.784 -7.970 688 HD12 LEU 87 HD12 LEU 87 -8.512 -2.226 -8.998 689 HD13 LEU 87 HD13 LEU 87 -7.993 -2.299 -7.306 690 HD21 LEU 87 HD21 LEU 87 -10.981 -1.991 -9.564 691 HD22 LEU 87 HD22 LEU 87 -10.963 -0.504 -8.583 692 HD23 LEU 87 HD23 LEU 87 -12.158 -1.765 -8.247 693 H GLY 88 H GLY 88 -12.301 -5.855 -5.947 694 HA2 GLY 88 HA3 GLY 88 -13.013 -7.991 -6.556 695 HA3 GLY 88 HA2 GLY 88 -11.429 -8.301 -7.302 696 H LEU 89 H LEU 89 -11.951 -7.241 -4.000 697 HA LEU 89 HA LEU 89 -10.380 -9.144 -2.725 698 HB2 LEU 89 HB1 LEU 89 -11.750 -8.481 -0.638 699 HB3 LEU 89 HB2 LEU 89 -10.669 -7.334 -1.458 700 HG LEU 89 HG LEU 89 -12.673 -6.292 -2.526 701 HD11 LEU 89 HD11 LEU 89 -14.296 -8.106 -2.524 702 HD12 LEU 89 HD12 LEU 89 -14.932 -6.787 -1.541 703 HD13 LEU 89 HD13 LEU 89 -14.237 -8.215 -0.748 704 HD21 LEU 89 HD21 LEU 89 -13.387 -5.071 -0.591 705 HD22 LEU 89 HD22 LEU 89 -11.673 -5.450 -0.408 706 HD23 LEU 89 HD23 LEU 89 -12.901 -6.386 0.490 707 H LYS 90 H LYS 90 -10.560 -10.745 -1.434 708 HA LYS 90 HA LYS 90 -12.643 -12.700 -2.315 709 HB2 LYS 90 HB1 LYS 90 -9.846 -13.224 -1.336 710 HB3 LYS 90 HB2 LYS 90 -10.960 -14.401 -2.059 711 HG2 LYS 90 HG1 LYS 90 -9.722 -11.992 -3.459 712 HG3 LYS 90 HG2 LYS 90 -9.234 -13.702 -3.626 713 HD2 LYS 90 HD1 LYS 90 -11.437 -14.224 -4.621 714 HD3 LYS 90 HD2 LYS 90 -11.884 -12.503 -4.520 715 HE2 LYS 90 HE1 LYS 90 -10.037 -11.883 -5.977 716 HE3 LYS 90 HE2 LYS 90 -9.429 -13.545 -6.021 717 HZ1 LYS 90 HZ1 LYS 90 -11.564 -14.137 -7.141 718 HZ2 LYS 90 HZ2 LYS 90 -10.632 -13.100 -7.989 719 HZ3 LYS 90 HZ3 LYS 90 -11.918 -12.519 -7.244 720 H ARG 91 H ARG 91 -11.366 -11.272 0.514 721 HA ARG 91 HA ARG 91 -13.301 -12.814 2.198 722 HB2 ARG 91 HB1 ARG 91 -11.089 -10.915 3.026 723 HB3 ARG 91 HB2 ARG 91 -12.376 -11.522 4.106 724 HG2 ARG 91 HG1 ARG 91 -11.507 -13.888 3.479 725 HG3 ARG 91 HG2 ARG 91 -10.062 -13.061 2.872 726 HD2 ARG 91 HD1 ARG 91 -10.004 -11.811 5.119 727 HD3 ARG 91 HD2 ARG 91 -11.288 -12.948 5.627 728 HE ARG 91 HE ARG 91 -8.807 -14.191 4.704 729 HH11 ARG 91 HH12 ARG 91 -10.465 -12.805 7.544 730 HH12 ARG 91 HH11 ARG 91 -9.448 -13.764 8.637 731 HH21 ARG 91 HH22 ARG 91 -7.628 -15.405 6.276 732 HH22 ARG 91 HH21 ARG 91 -7.984 -15.119 7.970 733 HA PRO 92 HA PRO 92 -15.684 -8.967 1.769 734 HB2 PRO 92 HB1 PRO 92 -17.764 -9.471 3.428 735 HB3 PRO 92 HB2 PRO 92 -17.533 -10.388 1.906 736 HG2 PRO 92 HG1 PRO 92 -16.745 -11.217 4.712 737 HG3 PRO 92 HG2 PRO 92 -17.622 -12.184 3.471 738 HD2 PRO 92 HD1 PRO 92 -14.893 -12.353 3.902 739 HD3 PRO 92 HD2 PRO 92 -15.647 -12.634 2.307 740 H LEU 93 H LEU 93 -13.730 -7.999 2.718 741 HA LEU 93 HA LEU 93 -12.725 -7.892 5.061 742 HB2 LEU 93 HB1 LEU 93 -13.076 -5.513 3.232 743 HB3 LEU 93 HB2 LEU 93 -11.978 -5.527 4.637 744 HG LEU 93 HG LEU 93 -11.761 -7.303 2.180 745 HD11 LEU 93 HD11 LEU 93 -11.173 -4.867 1.875 746 HD12 LEU 93 HD12 LEU 93 -9.780 -5.950 1.678 747 HD13 LEU 93 HD13 LEU 93 -9.987 -5.025 3.182 748 HD21 LEU 93 HD21 LEU 93 -10.894 -8.532 4.114 749 HD22 LEU 93 HD22 LEU 93 -9.970 -7.102 4.630 750 HD23 LEU 93 HD23 LEU 93 -9.549 -7.951 3.129 751 H LYS 94 H LYS 94 -13.196 -7.686 6.903 752 HA LYS 94 HA LYS 94 -14.660 -5.288 7.957 753 HB2 LYS 94 HB1 LYS 94 -14.466 -8.014 9.256 754 HB3 LYS 94 HB2 LYS 94 -15.254 -6.595 9.970 755 HG2 LYS 94 HG1 LYS 94 -16.084 -8.013 7.413 756 HG3 LYS 94 HG2 LYS 94 -16.868 -8.154 9.007 757 HD2 LYS 94 HD1 LYS 94 -17.840 -6.058 8.870 758 HD3 LYS 94 HD2 LYS 94 -16.674 -5.435 7.694 759 HE2 LYS 94 HE1 LYS 94 -18.706 -7.581 7.021 760 HE3 LYS 94 HE2 LYS 94 -18.978 -5.832 6.797 761 HZ1 LYS 94 HZ1 LYS 94 -16.890 -5.887 5.406 762 HZ2 LYS 94 HZ2 LYS 94 -18.144 -6.732 4.743 763 HZ3 LYS 94 HZ3 LYS 94 -16.900 -7.490 5.501 764 H ALA 95 H ALA 95 -14.062 -4.511 10.014 765 HA ALA 95 HA ALA 95 -11.197 -4.032 10.263 766 HB1 ALA 95 HB1 ALA 95 -11.864 -2.648 12.178 767 HB2 ALA 95 HB2 ALA 95 -12.889 -2.263 10.791 768 HB3 ALA 95 HB3 ALA 95 -13.521 -3.285 12.105 769 H GLY 96 H GLY 96 -9.908 -4.993 11.568 770 HA2 GLY 96 HA3 GLY 96 -9.126 -6.278 13.409 771 HA3 GLY 96 HA2 GLY 96 -10.777 -6.882 13.677 772 H GLU 97 H GLU 97 -10.240 -7.313 10.406 773 HA GLU 97 HA GLU 97 -9.475 -10.125 10.651 774 HB2 GLU 97 HB1 GLU 97 -10.005 -8.288 8.303 775 HB3 GLU 97 HB2 GLU 97 -9.515 -9.989 8.110 776 HG2 GLU 97 HG1 GLU 97 -11.498 -10.569 9.616 777 HG3 GLU 97 HG2 GLU 97 -12.086 -8.939 9.299 778 H GLU 98 H GLU 98 -7.848 -10.530 8.479 779 HA GLU 98 HA GLU 98 -5.175 -9.674 9.285 780 HB2 GLU 98 HB1 GLU 98 -4.547 -12.003 9.646 781 HB3 GLU 98 HB2 GLU 98 -5.914 -11.616 10.716 782 HG2 GLU 98 HG1 GLU 98 -7.344 -12.553 8.709 783 HG3 GLU 98 HG2 GLU 98 -5.839 -13.343 8.223 784 H VAL 99 H VAL 99 -4.180 -9.292 7.406 785 HA VAL 99 HA VAL 99 -4.828 -10.866 4.941 786 HB VAL 99 HB VAL 99 -4.989 -7.837 5.188 787 HG11 VAL 99 HG11 VAL 99 -5.434 -7.940 2.667 788 HG12 VAL 99 HG12 VAL 99 -3.766 -8.203 3.159 789 HG13 VAL 99 HG13 VAL 99 -4.774 -9.593 2.710 790 HG21 VAL 99 HG21 VAL 99 -7.115 -9.025 5.703 791 HG22 VAL 99 HG22 VAL 99 -7.231 -8.129 4.194 792 HG23 VAL 99 HG23 VAL 99 -7.006 -9.893 4.164 793 H GLU 100 H GLU 100 -3.148 -11.486 3.861 794 HA GLU 100 HA GLU 100 -0.462 -10.427 4.390 795 HB2 GLU 100 HB1 GLU 100 -1.386 -12.407 2.295 796 HB3 GLU 100 HB2 GLU 100 0.295 -12.043 2.760 797 HG2 GLU 100 HG1 GLU 100 -0.255 -12.908 5.072 798 HG3 GLU 100 HG2 GLU 100 -1.831 -13.437 4.446 799 H LEU 101 H LEU 101 0.714 -9.163 3.051 800 HA LEU 101 HA LEU 101 -0.251 -8.710 0.292 801 HB2 LEU 101 HB1 LEU 101 0.665 -6.613 2.201 802 HB3 LEU 101 HB2 LEU 101 1.418 -6.600 0.571 803 HG LEU 101 HG LEU 101 -0.940 -6.648 -0.385 804 HD11 LEU 101 HD11 LEU 101 -1.659 -5.792 2.463 805 HD12 LEU 101 HD12 LEU 101 -2.244 -7.234 1.615 806 HD13 LEU 101 HD13 LEU 101 -2.722 -5.645 1.041 807 HD21 LEU 101 HD21 LEU 101 -0.165 -4.192 1.210 808 HD22 LEU 101 HD22 LEU 101 -1.197 -4.240 -0.233 809 HD23 LEU 101 HD23 LEU 101 0.523 -4.641 -0.372 810 H ASP 102 H ASP 102 1.057 -9.231 -1.172 811 HA ASP 102 HA ASP 102 3.795 -10.270 -0.706 812 HB2 ASP 102 HB1 ASP 102 2.086 -10.295 -3.201 813 HB3 ASP 102 HB2 ASP 102 3.548 -11.227 -2.929 814 H LEU 103 H LEU 103 5.538 -9.183 -1.681 815 HA LEU 103 HA LEU 103 4.996 -6.497 -2.892 816 HB2 LEU 103 HB1 LEU 103 7.194 -7.508 -1.048 817 HB3 LEU 103 HB2 LEU 103 7.189 -5.921 -1.867 818 HG LEU 103 HG LEU 103 5.033 -5.428 -0.600 819 HD11 LEU 103 HD11 LEU 103 4.333 -7.562 0.283 820 HD12 LEU 103 HD12 LEU 103 4.840 -6.587 1.645 821 HD13 LEU 103 HD13 LEU 103 5.924 -7.851 1.023 822 HD21 LEU 103 HD21 LEU 103 6.296 -4.767 1.439 823 HD22 LEU 103 HD22 LEU 103 7.212 -4.446 -0.033 824 HD23 LEU 103 HD23 LEU 103 7.618 -5.856 0.969 825 H LEU 104 H LEU 104 5.817 -6.139 -4.870 826 HA LEU 104 HA LEU 104 7.676 -8.129 -6.100 827 HB2 LEU 104 HB1 LEU 104 5.744 -6.120 -7.302 828 HB3 LEU 104 HB2 LEU 104 6.732 -7.217 -8.242 829 HG LEU 104 HG LEU 104 4.428 -7.907 -6.369 830 HD11 LEU 104 HD11 LEU 104 3.347 -8.747 -8.411 831 HD12 LEU 104 HD12 LEU 104 4.766 -8.278 -9.373 832 HD13 LEU 104 HD13 LEU 104 3.770 -7.040 -8.579 833 HD21 LEU 104 HD21 LEU 104 4.715 -10.275 -7.096 834 HD22 LEU 104 HD22 LEU 104 6.076 -9.704 -6.130 835 HD23 LEU 104 HD23 LEU 104 6.238 -9.828 -7.900 836 H PHE 105 H PHE 105 9.708 -7.559 -6.186 837 HA PHE 105 HA PHE 105 10.485 -4.684 -6.129 838 HB2 PHE 105 HB1 PHE 105 11.819 -7.197 -5.127 839 HB3 PHE 105 HB2 PHE 105 12.599 -5.606 -5.154 840 HD1 PHE 105 HD2 PHE 105 11.334 -3.667 -3.938 841 HD2 PHE 105 HD1 PHE 105 10.526 -7.852 -3.266 842 HE1 PHE 105 HE2 PHE 105 10.424 -3.129 -1.694 843 HE2 PHE 105 HE1 PHE 105 9.630 -7.299 -1.024 844 HZ PHE 105 HZ PHE 105 9.618 -4.975 -0.218 845 H ALA 106 H ALA 106 11.245 -3.901 -7.939 846 HA ALA 106 HA ALA 106 12.024 -3.690 -10.074 847 HB1 ALA 106 HB1 ALA 106 13.989 -3.549 -8.584 848 HB2 ALA 106 HB2 ALA 106 14.288 -5.290 -8.815 849 HB3 ALA 106 HB3 ALA 106 14.421 -4.172 -10.186 850 H GLY 107 H GLY 107 10.291 -6.043 -9.847 851 HA2 GLY 107 HA3 GLY 107 9.490 -7.643 -11.328 852 HA3 GLY 107 HA2 GLY 107 10.953 -7.463 -12.322 853 H GLY 108 H GLY 108 13.014 -8.129 -10.886 854 HA2 GLY 108 HA3 GLY 108 12.751 -10.973 -10.917 855 HA3 GLY 108 HA2 GLY 108 14.241 -10.040 -10.643 856 H LYS 109 H LYS 109 12.052 -9.190 -8.205 857 HA LYS 109 HA LYS 109 12.787 -11.459 -6.421 858 HB2 LYS 109 HB1 LYS 109 13.424 -8.527 -6.026 859 HB3 LYS 109 HB2 LYS 109 13.189 -9.592 -4.621 860 HG2 LYS 109 HG1 LYS 109 15.017 -11.011 -5.299 861 HG3 LYS 109 HG2 LYS 109 15.180 -10.150 -6.845 862 HD2 LYS 109 HD1 LYS 109 15.792 -8.076 -5.618 863 HD3 LYS 109 HD2 LYS 109 15.655 -8.960 -4.081 864 HE2 LYS 109 HE1 LYS 109 17.443 -10.506 -4.809 865 HE3 LYS 109 HE2 LYS 109 17.535 -9.683 -6.380 866 HZ1 LYS 109 HZ1 LYS 109 19.267 -8.955 -4.852 867 HZ2 LYS 109 HZ2 LYS 109 18.154 -8.465 -3.745 868 HZ3 LYS 109 HZ3 LYS 109 18.263 -7.697 -5.195 869 H VAL 110 H VAL 110 11.384 -11.960 -4.850 870 HA VAL 110 HA VAL 110 8.939 -10.337 -4.452 871 HB VAL 110 HB VAL 110 8.896 -13.357 -4.828 872 HG11 VAL 110 HG11 VAL 110 7.088 -12.675 -3.338 873 HG12 VAL 110 HG12 VAL 110 6.633 -11.338 -4.416 874 HG13 VAL 110 HG13 VAL 110 6.392 -13.023 -4.914 875 HG21 VAL 110 HG21 VAL 110 7.596 -12.874 -6.923 876 HG22 VAL 110 HG22 VAL 110 8.009 -11.154 -6.738 877 HG23 VAL 110 HG23 VAL 110 9.282 -12.365 -7.012 878 H LEU 111 H LEU 111 8.051 -10.474 -2.436 879 HA LEU 111 HA LEU 111 8.944 -12.298 -0.332 880 HB2 LEU 111 HB1 LEU 111 10.697 -10.629 -0.271 881 HB3 LEU 111 HB2 LEU 111 9.523 -9.309 -0.317 882 HG LEU 111 HG LEU 111 9.381 -11.180 2.024 883 HD11 LEU 111 HD11 LEU 111 11.630 -9.146 1.687 884 HD12 LEU 111 HD12 LEU 111 11.810 -10.914 1.766 885 HD13 LEU 111 HD13 LEU 111 11.230 -10.023 3.181 886 HD21 LEU 111 HD21 LEU 111 8.905 -9.109 3.242 887 HD22 LEU 111 HD22 LEU 111 7.905 -9.110 1.784 888 HD23 LEU 111 HD23 LEU 111 9.366 -8.122 1.840 889 H LYS 112 H LYS 112 7.474 -11.825 1.712 890 HA LYS 112 HA LYS 112 5.203 -10.091 1.138 891 HB2 LYS 112 HB1 LYS 112 3.454 -11.610 1.378 892 HB3 LYS 112 HB2 LYS 112 4.516 -12.239 0.112 893 HG2 LYS 112 HG1 LYS 112 5.348 -13.968 1.636 894 HG3 LYS 112 HG2 LYS 112 4.397 -13.278 2.981 895 HD2 LYS 112 HD1 LYS 112 2.317 -13.611 1.696 896 HD3 LYS 112 HD2 LYS 112 3.240 -14.322 0.355 897 HE2 LYS 112 HE1 LYS 112 3.852 -16.233 1.704 898 HE3 LYS 112 HE2 LYS 112 3.186 -15.453 3.173 899 HZ1 LYS 112 HZ1 LYS 112 1.655 -17.094 2.123 900 HZ2 LYS 112 HZ2 LYS 112 1.463 -16.026 0.850 901 HZ3 LYS 112 HZ3 LYS 112 1.049 -15.624 2.365 902 H VAL 113 H VAL 113 3.742 -9.766 2.932 903 HA VAL 113 HA VAL 113 4.800 -10.386 5.641 904 HB VAL 113 HB VAL 113 4.054 -7.516 5.079 905 HG11 VAL 113 HG11 VAL 113 5.519 -7.097 7.064 906 HG12 VAL 113 HG12 VAL 113 4.165 -8.152 7.433 907 HG13 VAL 113 HG13 VAL 113 5.785 -8.846 7.205 908 HG21 VAL 113 HG21 VAL 113 6.909 -8.576 4.856 909 HG22 VAL 113 HG22 VAL 113 5.956 -7.862 3.535 910 HG23 VAL 113 HG23 VAL 113 6.441 -6.865 4.902 911 H VAL 114 H VAL 114 3.148 -9.768 7.338 912 HA VAL 114 HA VAL 114 0.379 -9.938 6.240 913 HB VAL 114 HB VAL 114 1.044 -12.102 7.149 914 HG11 VAL 114 HG11 VAL 114 2.613 -11.359 8.938 915 HG12 VAL 114 HG12 VAL 114 1.227 -10.774 9.886 916 HG13 VAL 114 HG13 VAL 114 1.387 -12.498 9.516 917 HG21 VAL 114 HG21 VAL 114 -1.107 -10.729 8.820 918 HG22 VAL 114 HG22 VAL 114 -1.319 -11.361 7.171 919 HG23 VAL 114 HG23 VAL 114 -0.951 -12.468 8.504 920 H LEU 115 H LEU 115 -1.033 -8.577 6.945 921 HA LEU 115 HA LEU 115 -0.357 -6.584 9.079 922 HB2 LEU 115 HB1 LEU 115 -1.823 -6.219 6.443 923 HB3 LEU 115 HB2 LEU 115 -1.585 -4.977 7.701 924 HG LEU 115 HG LEU 115 -0.144 -4.352 6.071 925 HD11 LEU 115 HD11 LEU 115 1.751 -6.078 7.701 926 HD12 LEU 115 HD12 LEU 115 1.015 -4.588 8.307 927 HD13 LEU 115 HD13 LEU 115 2.092 -4.542 6.905 928 HD21 LEU 115 HD21 LEU 115 0.879 -7.181 5.615 929 HD22 LEU 115 HD22 LEU 115 1.317 -5.727 4.718 930 HD23 LEU 115 HD23 LEU 115 -0.336 -6.353 4.621 931 HA PRO 116 HA PRO 116 -4.697 -7.549 10.308 932 HB2 PRO 116 HB1 PRO 116 -5.213 -5.377 11.891 933 HB3 PRO 116 HB2 PRO 116 -4.204 -6.749 12.437 934 HG2 PRO 116 HG1 PRO 116 -3.265 -4.125 11.225 935 HG3 PRO 116 HG2 PRO 116 -2.681 -4.911 12.737 936 HD2 PRO 116 HD1 PRO 116 -1.344 -5.227 10.407 937 HD3 PRO 116 HD2 PRO 116 -1.553 -6.600 11.535 938 H VAL 117 H VAL 117 -6.786 -6.656 9.838 939 HA VAL 117 HA VAL 117 -6.835 -4.408 7.853 940 HB VAL 117 HB VAL 117 -9.101 -6.201 8.772 941 HG11 VAL 117 HG11 VAL 117 -8.864 -4.365 6.335 942 HG12 VAL 117 HG12 VAL 117 -10.234 -5.424 6.695 943 HG13 VAL 117 HG13 VAL 117 -9.877 -4.066 7.767 944 HG21 VAL 117 HG21 VAL 117 -7.394 -7.572 7.619 945 HG22 VAL 117 HG22 VAL 117 -8.820 -7.384 6.601 946 HG23 VAL 117 HG23 VAL 117 -7.375 -6.434 6.267 947 H GLU 118 H GLU 118 -7.722 -2.404 8.347 948 HA GLU 118 HA GLU 118 -9.287 -1.986 10.790 949 HB2 GLU 118 HB1 GLU 118 -6.497 -1.323 10.564 950 HB3 GLU 118 HB2 GLU 118 -7.391 0.200 10.575 951 HG2 GLU 118 HG1 GLU 118 -7.933 -2.019 12.578 952 HG3 GLU 118 HG2 GLU 118 -6.684 -0.778 12.833 953 H ALA 119 H ALA 119 -10.611 -0.194 10.725 954 HA ALA 119 HA ALA 119 -11.358 0.488 7.912 955 HB1 ALA 119 HB1 ALA 119 -12.952 0.408 10.507 956 HB2 ALA 119 HB2 ALA 119 -13.605 0.922 8.941 957 HB3 ALA 119 HB3 ALA 119 -13.034 -0.744 9.149 958 H ARG 120 H ARG 120 -9.937 2.163 7.563 959 HA ARG 120 HA ARG 120 -10.554 4.757 8.932 960 HB2 ARG 120 HB1 ARG 120 -7.794 3.730 8.152 961 HB3 ARG 120 HB2 ARG 120 -8.146 5.266 8.960 962 HG2 ARG 120 HG1 ARG 120 -8.600 2.486 10.132 963 HG3 ARG 120 HG2 ARG 120 -7.230 3.550 10.518 964 HD2 ARG 120 HD1 ARG 120 -8.538 5.016 11.755 965 HD3 ARG 120 HD2 ARG 120 -10.035 4.570 10.932 966 HE ARG 120 HE ARG 120 -8.696 2.594 12.749 967 HH11 ARG 120 HH12 ARG 120 -11.698 3.884 11.674 968 HH12 ARG 120 HH11 ARG 120 -12.525 3.444 13.135 969 HH21 ARG 120 HH22 ARG 120 -9.826 1.665 14.145 970 HH22 ARG 120 HH21 ARG 120 -11.527 1.925 14.369 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 7.245 7.428 20.144 2 H2 GLY 1 2H GLY 1 5.832 8.041 20.754 3 H3 GLY 1 3H GLY 1 6.226 8.239 19.156 4 HA2 GLY 1 HA3 GLY 1 5.704 5.630 20.407 5 HA3 GLY 1 HA2 GLY 1 4.531 6.535 19.424 6 H SER 2 H SER 2 5.585 3.891 18.682 7 HA SER 2 HA SER 2 7.155 4.523 16.237 8 HB2 SER 2 HB1 SER 2 7.967 2.378 18.232 9 HB3 SER 2 HB2 SER 2 8.846 2.904 16.781 10 HG SER 2 HG SER 2 9.810 3.824 18.572 11 H PHE 3 H PHE 3 6.921 2.900 14.592 12 HA PHE 3 HA PHE 3 4.997 0.693 15.115 13 HB2 PHE 3 HB1 PHE 3 4.713 2.735 12.885 14 HB3 PHE 3 HB2 PHE 3 3.622 1.387 13.231 15 HD1 PHE 3 HD1 PHE 3 2.213 1.453 15.346 16 HD2 PHE 3 HD2 PHE 3 4.463 4.853 13.947 17 HE1 PHE 3 HE1 PHE 3 0.826 2.952 16.754 18 HE2 PHE 3 HE2 PHE 3 3.076 6.352 15.360 19 HZ PHE 3 HZ PHE 3 1.251 5.402 16.765 20 H THR 4 H THR 4 5.283 -1.066 13.805 21 HA THR 4 HA THR 4 7.138 -0.983 11.462 22 HB THR 4 HB THR 4 8.401 -1.678 13.476 23 HG1 THR 4 HG1 THR 4 9.344 -2.545 11.780 24 HG21 THR 4 HG21 THR 4 8.047 -3.899 14.426 25 HG22 THR 4 HG22 THR 4 6.604 -4.143 13.428 26 HG23 THR 4 HG23 THR 4 6.610 -2.901 14.703 27 H GLU 5 H GLU 5 4.117 -1.966 12.716 28 HA GLU 5 HA GLU 5 3.689 -3.927 10.545 29 HB2 GLU 5 HB1 GLU 5 1.763 -4.645 11.741 30 HB3 GLU 5 HB2 GLU 5 3.151 -4.615 12.849 31 HG2 GLU 5 HG1 GLU 5 2.254 -2.288 13.571 32 HG3 GLU 5 HG2 GLU 5 0.763 -2.745 12.736 33 H GLY 6 H GLY 6 1.342 -3.795 9.700 34 HA2 GLY 6 HA3 GLY 6 0.320 -1.093 9.203 35 HA3 GLY 6 HA2 GLY 6 0.967 -1.943 7.781 36 H TRP 7 H TRP 7 -1.539 -1.455 7.309 37 HA TRP 7 HA TRP 7 -2.996 -3.961 7.861 38 HB2 TRP 7 HB1 TRP 7 -4.849 -3.009 8.902 39 HB3 TRP 7 HB2 TRP 7 -3.418 -2.514 9.801 40 HD1 TRP 7 HD TRP 7 -6.562 -1.287 8.509 41 HE1 TRP 7 HE1 TRP 7 -6.834 1.171 9.082 42 HE3 TRP 7 3HE TRP 7 -1.658 -0.134 9.461 43 HZ2 TRP 7 HZ2 TRP 7 -5.114 3.423 9.718 44 HZ3 TRP 7 HZ3 TRP 7 -1.009 2.175 10.031 45 HH2 TRP 7 HH TRP 7 -2.727 3.967 10.177 46 H VAL 8 H VAL 8 -4.983 -4.271 6.771 47 HA VAL 8 HA VAL 8 -5.047 -3.032 4.045 48 HB VAL 8 HB VAL 8 -6.370 -5.525 5.179 49 HG11 VAL 8 HG11 VAL 8 -7.870 -4.568 3.483 50 HG12 VAL 8 HG12 VAL 8 -6.509 -4.369 2.357 51 HG13 VAL 8 HG13 VAL 8 -7.066 -5.991 2.821 52 HG21 VAL 8 HG21 VAL 8 -4.139 -5.160 3.123 53 HG22 VAL 8 HG22 VAL 8 -3.949 -5.800 4.769 54 HG23 VAL 8 HG23 VAL 8 -4.879 -6.711 3.576 55 H ARG 9 H ARG 9 -6.772 -1.761 3.398 56 HA ARG 9 HA ARG 9 -8.329 -0.473 5.456 57 HB2 ARG 9 HB1 ARG 9 -7.467 0.667 3.458 58 HB3 ARG 9 HB2 ARG 9 -8.512 -0.345 2.425 59 HG2 ARG 9 HG1 ARG 9 -9.552 1.732 2.520 60 HG3 ARG 9 HG2 ARG 9 -10.497 0.683 3.578 61 HD2 ARG 9 HD1 ARG 9 -10.363 2.710 4.754 62 HD3 ARG 9 HD2 ARG 9 -9.099 1.737 5.516 63 HE ARG 9 HE ARG 9 -7.461 2.954 4.107 64 HH11 ARG 9 HH12 ARG 9 -10.424 4.638 4.928 65 HH12 ARG 9 HH11 ARG 9 -9.962 6.116 4.198 66 HH21 ARG 9 HH22 ARG 9 -6.785 4.947 3.321 67 HH22 ARG 9 HH21 ARG 9 -7.850 6.315 3.420 68 H PHE 10 H PHE 10 -10.057 -1.334 6.386 69 HA PHE 10 HA PHE 10 -12.050 -3.033 5.181 70 HB2 PHE 10 HB1 PHE 10 -11.964 -2.994 7.542 71 HB3 PHE 10 HB2 PHE 10 -11.924 -1.222 7.605 72 HD1 PHE 10 HD1 PHE 10 -14.085 -4.154 7.154 73 HD2 PHE 10 HD2 PHE 10 -13.953 0.130 7.341 74 HE1 PHE 10 HE1 PHE 10 -16.555 -4.103 7.425 75 HE2 PHE 10 HE2 PHE 10 -16.425 0.207 7.414 76 HZ PHE 10 HZ PHE 10 -17.740 -1.911 7.511 77 H SER 11 H SER 11 -13.920 -2.521 4.035 78 HA SER 11 HA SER 11 -15.336 -0.095 4.272 79 HB2 SER 11 HB1 SER 11 -13.354 -0.394 2.046 80 HB3 SER 11 HB2 SER 11 -14.964 0.158 1.576 81 HG SER 11 HG SER 11 -13.354 1.239 3.667 82 HA PRO 12 HA PRO 12 -18.263 -3.001 2.478 83 HB2 PRO 12 HB1 PRO 12 -20.408 -1.477 1.935 84 HB3 PRO 12 HB2 PRO 12 -19.744 -1.580 3.596 85 HG2 PRO 12 HG1 PRO 12 -19.176 0.562 1.515 86 HG3 PRO 12 HG2 PRO 12 -19.751 0.805 3.203 87 HD2 PRO 12 HD1 PRO 12 -17.088 0.912 2.503 88 HD3 PRO 12 HD2 PRO 12 -17.640 0.291 4.087 89 H GLY 13 H GLY 13 -16.218 -2.385 0.675 90 HA2 GLY 13 HA3 GLY 13 -17.498 -1.518 -1.881 91 HA3 GLY 13 HA2 GLY 13 -15.813 -1.188 -1.420 92 HA PRO 14 HA PRO 14 -15.812 -5.203 -3.943 93 HB2 PRO 14 HB1 PRO 14 -15.986 -4.437 -6.539 94 HB3 PRO 14 HB2 PRO 14 -17.449 -4.786 -5.570 95 HG2 PRO 14 HG1 PRO 14 -16.206 -2.084 -6.158 96 HG3 PRO 14 HG2 PRO 14 -17.935 -2.565 -6.309 97 HD2 PRO 14 HD1 PRO 14 -16.909 -1.268 -4.098 98 HD3 PRO 14 HD2 PRO 14 -18.256 -2.436 -3.990 99 H ASN 15 H ASN 15 -14.600 -1.883 -4.301 100 HA ASN 15 HA ASN 15 -11.866 -2.849 -4.716 101 HB2 ASN 15 HB1 ASN 15 -11.394 -0.591 -5.372 102 HB3 ASN 15 HB2 ASN 15 -12.767 -1.165 -6.316 103 HD21 ASN 15 HD21 ASN 15 -11.602 1.533 -4.873 104 HD22 ASN 15 HD22 ASN 15 -13.129 2.284 -4.414 105 H ALA 16 H ALA 16 -10.269 -1.872 -3.461 106 HA ALA 16 HA ALA 16 -10.824 -0.693 -0.824 107 HB1 ALA 16 HB1 ALA 16 -11.308 -3.097 -0.569 108 HB2 ALA 16 HB2 ALA 16 -9.659 -3.500 -1.089 109 HB3 ALA 16 HB3 ALA 16 -9.941 -2.594 0.424 110 H ALA 17 H ALA 17 -8.345 -1.218 0.354 111 HA ALA 17 HA ALA 17 -6.219 -0.352 -1.448 112 HB1 ALA 17 HB1 ALA 17 -5.778 1.736 -0.120 113 HB2 ALA 17 HB2 ALA 17 -7.278 1.793 -1.067 114 HB3 ALA 17 HB3 ALA 17 -7.358 1.505 0.680 115 H ALA 18 H ALA 18 -4.092 -0.458 -0.293 116 HA ALA 18 HA ALA 18 -4.193 -1.669 2.447 117 HB1 ALA 18 HB1 ALA 18 -2.495 -3.301 1.799 118 HB2 ALA 18 HB2 ALA 18 -3.951 -3.493 0.809 119 HB3 ALA 18 HB3 ALA 18 -2.508 -2.695 0.134 120 H TYR 19 H TYR 19 -2.835 -0.948 3.877 121 HA TYR 19 HA TYR 19 -0.746 1.070 3.131 122 HB2 TYR 19 HB1 TYR 19 -2.723 1.041 5.445 123 HB3 TYR 19 HB2 TYR 19 -1.472 2.261 5.173 124 HD1 TYR 19 HD1 TYR 19 -4.731 0.925 3.992 125 HD2 TYR 19 HD2 TYR 19 -1.731 3.954 3.437 126 HE1 TYR 19 HE1 TYR 19 -6.262 2.188 2.485 127 HE2 TYR 19 HE2 TYR 19 -3.313 5.312 2.100 128 HH TYR 19 HH TYR 19 -6.477 3.993 1.063 129 H LEU 20 H LEU 20 0.816 -0.637 3.203 130 HA LEU 20 HA LEU 20 1.190 -2.116 5.715 131 HB2 LEU 20 HB1 LEU 20 2.628 -3.543 4.503 132 HB3 LEU 20 HB2 LEU 20 1.157 -3.255 3.554 133 HG LEU 20 HG LEU 20 2.756 -1.404 2.409 134 HD11 LEU 20 HD11 LEU 20 4.763 -1.843 3.803 135 HD12 LEU 20 HD12 LEU 20 5.061 -2.300 2.133 136 HD13 LEU 20 HD13 LEU 20 4.721 -3.554 3.344 137 HD21 LEU 20 HD21 LEU 20 2.740 -4.389 1.830 138 HD22 LEU 20 HD22 LEU 20 3.320 -3.145 0.698 139 HD23 LEU 20 HD23 LEU 20 1.619 -3.173 1.195 140 H THR 21 H THR 21 3.186 -2.421 6.719 141 HA THR 21 HA THR 21 5.345 -0.432 6.272 142 HB THR 21 HB THR 21 4.626 -1.655 8.951 143 HG1 THR 21 HG1 THR 21 3.435 -0.052 9.214 144 HG21 THR 21 HG21 THR 21 6.998 -1.198 8.924 145 HG22 THR 21 HG22 THR 21 6.238 0.168 9.758 146 HG23 THR 21 HG23 THR 21 6.775 0.337 8.080 147 H LEU 22 H LEU 22 7.296 -1.276 6.132 148 HA LEU 22 HA LEU 22 8.116 -3.886 7.015 149 HB2 LEU 22 HB1 LEU 22 7.036 -4.561 4.972 150 HB3 LEU 22 HB2 LEU 22 7.804 -3.266 4.047 151 HG LEU 22 HG LEU 22 9.988 -4.418 4.265 152 HD11 LEU 22 HD11 LEU 22 8.396 -6.626 5.661 153 HD12 LEU 22 HD12 LEU 22 9.641 -5.618 6.423 154 HD13 LEU 22 HD13 LEU 22 10.090 -6.732 5.129 155 HD21 LEU 22 HD21 LEU 22 8.527 -4.816 2.359 156 HD22 LEU 22 HD22 LEU 22 7.730 -6.157 3.214 157 HD23 LEU 22 HD23 LEU 22 9.448 -6.277 2.762 158 H GLU 23 H GLU 23 10.624 -4.050 6.275 159 HA GLU 23 HA GLU 23 11.881 -1.370 6.207 160 HB2 GLU 23 HB1 GLU 23 12.762 -3.425 8.243 161 HB3 GLU 23 HB2 GLU 23 13.177 -1.702 8.127 162 HG2 GLU 23 HG1 GLU 23 10.598 -1.349 8.480 163 HG3 GLU 23 HG2 GLU 23 10.585 -3.001 9.080 164 H ASN 24 H ASN 24 13.967 -1.404 5.221 165 HA ASN 24 HA ASN 24 14.557 -3.815 3.547 166 HB2 ASN 24 HB1 ASN 24 14.271 -1.703 2.342 167 HB3 ASN 24 HB2 ASN 24 15.530 -0.934 3.329 168 HD21 ASN 24 HD21 ASN 24 16.689 -0.510 1.260 169 HD22 ASN 24 HD22 ASN 24 17.619 -1.831 0.550 170 HA PRO 25 HA PRO 25 18.042 -4.064 6.499 171 HB2 PRO 25 HB1 PRO 25 18.505 -6.752 6.394 172 HB3 PRO 25 HB2 PRO 25 17.065 -6.098 7.231 173 HG2 PRO 25 HG1 PRO 25 17.229 -7.106 4.366 174 HG3 PRO 25 HG2 PRO 25 16.074 -7.632 5.637 175 HD2 PRO 25 HD1 PRO 25 15.420 -5.714 3.820 176 HD3 PRO 25 HD2 PRO 25 14.904 -5.584 5.527 177 H GLY 26 H GLY 26 17.970 -4.428 3.070 178 HA2 GLY 26 HA3 GLY 26 20.540 -5.648 2.725 179 HA3 GLY 26 HA2 GLY 26 19.495 -4.911 1.489 180 H ASP 27 H ASP 27 22.102 -4.708 1.373 181 HA ASP 27 HA ASP 27 23.093 -2.067 2.201 182 HB2 ASP 27 HB1 ASP 27 24.229 -4.629 1.005 183 HB3 ASP 27 HB2 ASP 27 25.174 -3.167 1.296 184 H LEU 28 H LEU 28 21.334 -3.283 -0.236 185 HA LEU 28 HA LEU 28 22.204 -1.292 -2.236 186 HB2 LEU 28 HB1 LEU 28 21.506 -2.786 -4.011 187 HB3 LEU 28 HB2 LEU 28 22.736 -3.529 -2.939 188 HG LEU 28 HG LEU 28 20.678 -4.698 -1.820 189 HD11 LEU 28 HD11 LEU 28 19.496 -4.007 -4.556 190 HD12 LEU 28 HD12 LEU 28 18.843 -3.526 -2.978 191 HD13 LEU 28 HD13 LEU 28 18.846 -5.222 -3.437 192 HD21 LEU 28 HD21 LEU 28 20.861 -6.559 -3.435 193 HD22 LEU 28 HD22 LEU 28 22.445 -5.858 -3.083 194 HD23 LEU 28 HD23 LEU 28 21.629 -5.469 -4.615 195 HA PRO 29 HA PRO 29 18.166 0.297 -1.659 196 HB2 PRO 29 HB1 PRO 29 17.565 1.596 -3.975 197 HB3 PRO 29 HB2 PRO 29 18.890 2.109 -2.890 198 HG2 PRO 29 HG1 PRO 29 19.067 0.477 -5.421 199 HG3 PRO 29 HG2 PRO 29 20.137 1.817 -4.884 200 HD2 PRO 29 HD1 PRO 29 20.705 -0.895 -4.586 201 HD3 PRO 29 HD2 PRO 29 21.375 0.354 -3.517 202 H LEU 30 H LEU 30 16.075 -0.256 -1.745 203 HA LEU 30 HA LEU 30 15.234 -2.476 -3.536 204 HB2 LEU 30 HB1 LEU 30 14.484 -1.575 -0.795 205 HB3 LEU 30 HB2 LEU 30 13.188 -2.283 -1.765 206 HG LEU 30 HG LEU 30 14.503 -3.719 -0.169 207 HD11 LEU 30 HD11 LEU 30 14.335 -5.740 -1.595 208 HD12 LEU 30 HD12 LEU 30 13.925 -4.663 -2.960 209 HD13 LEU 30 HD13 LEU 30 12.906 -4.727 -1.485 210 HD21 LEU 30 HD21 LEU 30 16.828 -3.144 -0.994 211 HD22 LEU 30 HD22 LEU 30 16.453 -4.044 -2.481 212 HD23 LEU 30 HD23 LEU 30 16.489 -4.879 -0.917 213 H ARG 31 H ARG 31 13.143 -2.518 -4.222 214 HA ARG 31 HA ARG 31 11.999 0.039 -5.240 215 HB2 ARG 31 HB1 ARG 31 14.014 -0.370 -6.598 216 HB3 ARG 31 HB2 ARG 31 13.369 -1.974 -7.037 217 HG2 ARG 31 HG1 ARG 31 12.780 -0.903 -8.912 218 HG3 ARG 31 HG2 ARG 31 11.355 -0.445 -7.985 219 HD2 ARG 31 HD1 ARG 31 12.283 1.467 -9.208 220 HD3 ARG 31 HD2 ARG 31 12.399 1.719 -7.450 221 HE ARG 31 HE ARG 31 14.821 0.563 -8.516 222 HH11 ARG 31 HH12 ARG 31 13.202 3.680 -8.512 223 HH12 ARG 31 HH11 ARG 31 14.560 4.477 -7.735 224 HH21 ARG 31 HH22 ARG 31 16.612 1.726 -7.648 225 HH22 ARG 31 HH21 ARG 31 16.371 3.374 -7.229 226 H LEU 32 H LEU 32 9.963 -0.407 -4.736 227 HA LEU 32 HA LEU 32 8.738 -3.105 -5.048 228 HB2 LEU 32 HB1 LEU 32 8.513 -1.957 -2.955 229 HB3 LEU 32 HB2 LEU 32 7.982 -0.463 -3.729 230 HG LEU 32 HG LEU 32 6.337 -3.023 -3.820 231 HD11 LEU 32 HD11 LEU 32 6.848 -2.455 -1.470 232 HD12 LEU 32 HD12 LEU 32 5.145 -2.148 -1.837 233 HD13 LEU 32 HD13 LEU 32 6.297 -0.793 -1.739 234 HD21 LEU 32 HD21 LEU 32 5.349 -1.525 -5.353 235 HD22 LEU 32 HD22 LEU 32 5.858 -0.090 -4.438 236 HD23 LEU 32 HD23 LEU 32 4.518 -1.056 -3.863 237 H VAL 33 H VAL 33 7.803 -3.537 -6.981 238 HA VAL 33 HA VAL 33 6.984 -1.226 -8.745 239 HB VAL 33 HB VAL 33 7.471 -2.705 -10.661 240 HG11 VAL 33 HG11 VAL 33 9.242 -1.178 -9.850 241 HG12 VAL 33 HG12 VAL 33 9.855 -2.449 -8.776 242 HG13 VAL 33 HG13 VAL 33 9.918 -2.656 -10.535 243 HG21 VAL 33 HG21 VAL 33 8.710 -4.788 -10.442 244 HG22 VAL 33 HG22 VAL 33 8.701 -4.671 -8.678 245 HG23 VAL 33 HG23 VAL 33 7.186 -4.948 -9.564 246 H GLY 34 H GLY 34 5.848 -4.038 -7.049 247 HA2 GLY 34 HA3 GLY 34 3.144 -3.753 -8.050 248 HA3 GLY 34 HA2 GLY 34 3.919 -5.289 -8.505 249 H ALA 35 H ALA 35 1.834 -5.759 -7.176 250 HA ALA 35 HA ALA 35 2.881 -7.143 -4.870 251 HB1 ALA 35 HB1 ALA 35 1.001 -6.414 -3.324 252 HB2 ALA 35 HB2 ALA 35 2.250 -5.237 -3.636 253 HB3 ALA 35 HB3 ALA 35 0.676 -5.088 -4.462 254 H ARG 36 H ARG 36 1.147 -8.450 -3.852 255 HA ARG 36 HA ARG 36 -1.086 -9.457 -5.478 256 HB2 ARG 36 HB1 ARG 36 1.495 -10.878 -4.836 257 HB3 ARG 36 HB2 ARG 36 0.002 -11.830 -4.729 258 HG2 ARG 36 HG1 ARG 36 0.990 -10.369 -7.199 259 HG3 ARG 36 HG2 ARG 36 1.125 -12.123 -6.857 260 HD2 ARG 36 HD1 ARG 36 -1.470 -12.024 -6.607 261 HD3 ARG 36 HD2 ARG 36 -1.349 -10.488 -7.485 262 HE ARG 36 HE ARG 36 0.054 -11.973 -9.135 263 HH11 ARG 36 HH12 ARG 36 -2.991 -12.913 -7.611 264 HH12 ARG 36 HH11 ARG 36 -3.275 -14.199 -8.735 265 HH21 ARG 36 HH22 ARG 36 -0.355 -13.669 -10.547 266 HH22 ARG 36 HH21 ARG 36 -1.779 -14.645 -10.363 267 H THR 37 H THR 37 -2.484 -10.747 -4.198 268 HA THR 37 HA THR 37 -2.178 -11.451 -1.443 269 HB THR 37 HB THR 37 -2.418 -9.183 -0.904 270 HG1 THR 37 HG1 THR 37 -3.609 -10.281 0.411 271 HG21 THR 37 HG21 THR 37 -4.879 -9.057 -2.704 272 HG22 THR 37 HG22 THR 37 -3.357 -8.173 -2.962 273 HG23 THR 37 HG23 THR 37 -4.375 -7.789 -1.570 274 HA PRO 38 HA PRO 38 -5.476 -13.879 -3.168 275 HB2 PRO 38 HB1 PRO 38 -6.665 -15.051 -0.999 276 HB3 PRO 38 HB2 PRO 38 -5.018 -15.454 -1.589 277 HG2 PRO 38 HG1 PRO 38 -5.769 -13.628 0.684 278 HG3 PRO 38 HG2 PRO 38 -4.505 -14.907 0.650 279 HD2 PRO 38 HD1 PRO 38 -3.986 -12.232 0.231 280 HD3 PRO 38 HD2 PRO 38 -3.023 -13.495 -0.559 281 H VAL 39 H VAL 39 -6.207 -11.265 -1.082 282 HA VAL 39 HA VAL 39 -9.130 -11.371 -1.782 283 HB VAL 39 HB VAL 39 -9.501 -9.788 0.019 284 HG11 VAL 39 HG11 VAL 39 -8.859 -11.165 1.927 285 HG12 VAL 39 HG12 VAL 39 -9.345 -12.201 0.558 286 HG13 VAL 39 HG13 VAL 39 -7.634 -12.006 0.979 287 HG21 VAL 39 HG21 VAL 39 -7.303 -8.494 -0.160 288 HG22 VAL 39 HG22 VAL 39 -7.710 -8.991 1.488 289 HG23 VAL 39 HG23 VAL 39 -6.505 -9.905 0.547 290 H ALA 40 H ALA 40 -7.117 -10.633 -3.755 291 HA ALA 40 HA ALA 40 -8.794 -8.514 -4.786 292 HB1 ALA 40 HB1 ALA 40 -7.036 -6.922 -5.354 293 HB2 ALA 40 HB2 ALA 40 -6.974 -7.204 -3.601 294 HB3 ALA 40 HB3 ALA 40 -5.783 -7.974 -4.668 295 H GLU 41 H GLU 41 -8.914 -8.640 -6.943 296 HA GLU 41 HA GLU 41 -7.680 -10.929 -8.367 297 HB2 GLU 41 HB1 GLU 41 -10.114 -10.373 -8.356 298 HB3 GLU 41 HB2 GLU 41 -9.754 -8.833 -9.146 299 HG2 GLU 41 HG1 GLU 41 -8.861 -10.115 -11.111 300 HG3 GLU 41 HG2 GLU 41 -9.326 -11.624 -10.291 301 H ARG 42 H ARG 42 -7.691 -7.389 -8.225 302 HA ARG 42 HA ARG 42 -5.513 -7.124 -10.197 303 HB2 ARG 42 HB1 ARG 42 -7.985 -5.350 -10.123 304 HB3 ARG 42 HB2 ARG 42 -6.694 -5.347 -11.338 305 HG2 ARG 42 HG1 ARG 42 -7.432 -7.596 -12.098 306 HG3 ARG 42 HG2 ARG 42 -8.733 -7.569 -10.870 307 HD2 ARG 42 HD1 ARG 42 -9.563 -5.444 -12.031 308 HD3 ARG 42 HD2 ARG 42 -8.525 -5.933 -13.382 309 HE ARG 42 HE ARG 42 -10.291 -8.055 -12.314 310 HH11 ARG 42 HH12 ARG 42 -10.219 -5.547 -14.802 311 HH12 ARG 42 HH11 ARG 42 -11.499 -6.338 -15.692 312 HH21 ARG 42 HH22 ARG 42 -11.789 -8.917 -13.336 313 HH22 ARG 42 HH21 ARG 42 -12.414 -8.317 -14.872 314 H VAL 43 H VAL 43 -4.194 -5.365 -9.684 315 HA VAL 43 HA VAL 43 -4.712 -3.847 -7.196 316 HB VAL 43 HB VAL 43 -3.323 -5.887 -6.689 317 HG11 VAL 43 HG11 VAL 43 -1.876 -5.962 -8.695 318 HG12 VAL 43 HG12 VAL 43 -1.074 -4.456 -8.180 319 HG13 VAL 43 HG13 VAL 43 -0.944 -5.904 -7.192 320 HG21 VAL 43 HG21 VAL 43 -3.358 -3.929 -5.210 321 HG22 VAL 43 HG22 VAL 43 -1.785 -4.738 -5.193 322 HG23 VAL 43 HG23 VAL 43 -1.985 -3.221 -6.092 323 H GLU 44 H GLU 44 -3.743 -1.821 -7.143 324 HA GLU 44 HA GLU 44 -2.284 -0.801 -9.546 325 HB2 GLU 44 HB1 GLU 44 -4.928 -0.407 -9.192 326 HB3 GLU 44 HB2 GLU 44 -4.339 0.865 -8.102 327 HG2 GLU 44 HG1 GLU 44 -2.967 1.743 -10.047 328 HG3 GLU 44 HG2 GLU 44 -3.818 0.586 -11.086 329 H LEU 45 H LEU 45 -0.780 0.965 -8.980 330 HA LEU 45 HA LEU 45 -0.246 1.162 -6.034 331 HB2 LEU 45 HB1 LEU 45 1.467 -0.004 -7.303 332 HB3 LEU 45 HB2 LEU 45 1.590 1.356 -8.445 333 HG LEU 45 HG LEU 45 2.405 2.796 -6.579 334 HD11 LEU 45 HD11 LEU 45 2.582 0.228 -4.962 335 HD12 LEU 45 HD12 LEU 45 1.454 1.567 -4.625 336 HD13 LEU 45 HD13 LEU 45 3.200 1.815 -4.491 337 HD21 LEU 45 HD21 LEU 45 3.992 0.228 -7.025 338 HD22 LEU 45 HD22 LEU 45 4.650 1.798 -6.508 339 HD23 LEU 45 HD23 LEU 45 3.946 1.623 -8.125 340 H HIS 46 H HIS 46 -0.828 3.009 -5.114 341 HA HIS 46 HA HIS 46 -0.930 5.531 -6.727 342 HB2 HIS 46 HB1 HIS 46 -2.570 4.525 -4.385 343 HB3 HIS 46 HB2 HIS 46 -2.679 6.170 -5.036 344 HD2 HIS 46 HD2 HIS 46 -2.547 4.347 -8.133 345 HE1 HIS 46 HE1 HIS 46 -6.606 3.904 -6.990 346 HE2 HIS 46 HE2 HIS 46 -4.965 3.854 -8.983 347 H GLU 47 H GLU 47 -0.449 7.446 -5.815 348 HA GLU 47 HA GLU 47 0.945 7.538 -3.186 349 HB2 GLU 47 HB1 GLU 47 1.906 9.527 -3.781 350 HB3 GLU 47 HB2 GLU 47 1.928 8.588 -5.292 351 HG2 GLU 47 HG1 GLU 47 -0.143 9.792 -6.003 352 HG3 GLU 47 HG2 GLU 47 -0.040 10.803 -4.546 353 H THR 48 H THR 48 0.285 9.702 -1.903 354 HA THR 48 HA THR 48 -2.507 10.621 -2.528 355 HB THR 48 HB THR 48 -1.417 9.766 0.179 356 HG1 THR 48 HG1 THR 48 -2.573 8.615 -1.811 357 HG21 THR 48 HG21 THR 48 -2.860 11.777 0.451 358 HG22 THR 48 HG22 THR 48 -3.669 10.322 1.052 359 HG23 THR 48 HG23 THR 48 -4.126 11.000 -0.527 360 H PHE 49 H PHE 49 -2.645 12.832 -2.416 361 HA PHE 49 HA PHE 49 -0.131 14.287 -1.736 362 HB2 PHE 49 HB1 PHE 49 -0.279 15.543 -3.769 363 HB3 PHE 49 HB2 PHE 49 -0.118 13.836 -4.095 364 HD1 PHE 49 HD1 PHE 49 -2.581 16.644 -3.911 365 HD2 PHE 49 HD2 PHE 49 -1.667 12.849 -5.755 366 HE1 PHE 49 HE1 PHE 49 -4.445 16.961 -5.502 367 HE2 PHE 49 HE2 PHE 49 -3.510 13.208 -7.361 368 HZ PHE 49 HZ PHE 49 -4.870 15.296 -7.275 369 H MET 50 H MET 50 -0.281 16.560 -1.713 370 HA MET 50 HA MET 50 -2.893 17.674 -0.816 371 HB2 MET 50 HB1 MET 50 -0.517 17.727 0.608 372 HB3 MET 50 HB2 MET 50 -0.463 19.289 -0.233 373 HG2 MET 50 HG1 MET 50 -2.958 19.497 0.478 374 HG3 MET 50 HG2 MET 50 -2.590 18.168 1.591 375 HE1 MET 50 HE1 MET 50 -3.877 20.830 2.660 376 HE2 MET 50 HE2 MET 50 -3.402 19.385 3.592 377 HE3 MET 50 HE3 MET 50 -2.890 20.997 4.133 378 H ARG 51 H ARG 51 -3.507 19.739 -1.616 379 HA ARG 51 HA ARG 51 -2.147 20.802 -3.997 380 HB2 ARG 51 HB1 ARG 51 -3.873 18.642 -4.210 381 HB3 ARG 51 HB2 ARG 51 -4.913 19.988 -4.635 382 HG2 ARG 51 HG1 ARG 51 -2.186 19.716 -5.927 383 HG3 ARG 51 HG2 ARG 51 -3.562 18.721 -6.494 384 HD2 ARG 51 HD1 ARG 51 -4.889 20.759 -6.859 385 HD3 ARG 51 HD2 ARG 51 -3.474 21.732 -6.404 386 HE ARG 51 HE ARG 51 -2.784 19.919 -8.494 387 HH11 ARG 51 HH12 ARG 51 -4.573 22.948 -7.958 388 HH12 ARG 51 HH11 ARG 51 -4.362 23.469 -9.603 389 HH21 ARG 51 HH22 ARG 51 -2.532 20.671 -10.602 390 HH22 ARG 51 HH21 ARG 51 -3.231 22.181 -11.093 391 H GLU 52 H GLU 52 -3.169 22.795 -4.832 392 HA GLU 52 HA GLU 52 -5.156 24.115 -3.094 393 HB2 GLU 52 HB1 GLU 52 -2.883 25.144 -3.368 394 HB3 GLU 52 HB2 GLU 52 -3.110 25.106 -5.135 395 HG2 GLU 52 HG1 GLU 52 -3.690 27.261 -4.659 396 HG3 GLU 52 HG2 GLU 52 -5.283 26.556 -4.592 397 H VAL 53 H VAL 53 -7.035 24.761 -4.149 398 HA VAL 53 HA VAL 53 -6.909 25.270 -7.027 399 HB VAL 53 HB VAL 53 -7.697 23.034 -7.201 400 HG11 VAL 53 HG11 VAL 53 -8.439 22.619 -4.901 401 HG12 VAL 53 HG12 VAL 53 -9.883 23.625 -5.168 402 HG13 VAL 53 HG13 VAL 53 -9.657 22.118 -6.081 403 HG21 VAL 53 HG21 VAL 53 -8.790 24.715 -8.640 404 HG22 VAL 53 HG22 VAL 53 -9.817 23.306 -8.319 405 HG23 VAL 53 HG23 VAL 53 -10.128 24.834 -7.473 406 H GLU 54 H GLU 54 -7.923 27.150 -7.434 407 HA GLU 54 HA GLU 54 -8.984 29.133 -7.078 408 HB2 GLU 54 HB1 GLU 54 -10.846 27.342 -7.050 409 HB3 GLU 54 HB2 GLU 54 -10.908 27.640 -5.305 410 HG2 GLU 54 HG1 GLU 54 -11.190 30.174 -6.093 411 HG3 GLU 54 HG2 GLU 54 -11.688 29.430 -7.626 412 H GLY 55 H GLY 55 -6.799 28.547 -5.216 413 HA2 GLY 55 HA3 GLY 55 -5.810 29.615 -3.418 414 HA3 GLY 55 HA2 GLY 55 -7.291 30.575 -3.202 415 H LYS 56 H LYS 56 -7.867 27.183 -3.216 416 HA LYS 56 HA LYS 56 -8.215 27.142 -0.278 417 HB2 LYS 56 HB1 LYS 56 -10.122 26.217 -2.451 418 HB3 LYS 56 HB2 LYS 56 -10.291 25.806 -0.725 419 HG2 LYS 56 HG1 LYS 56 -10.546 28.135 -0.132 420 HG3 LYS 56 HG2 LYS 56 -10.215 28.668 -1.791 421 HD2 LYS 56 HD1 LYS 56 -12.632 27.034 -0.919 422 HD3 LYS 56 HD2 LYS 56 -12.598 28.789 -1.260 423 HE2 LYS 56 HE1 LYS 56 -11.729 28.214 -3.564 424 HE3 LYS 56 HE2 LYS 56 -12.065 26.517 -3.227 425 HZ1 LYS 56 HZ1 LYS 56 -13.852 27.467 -4.426 426 HZ2 LYS 56 HZ2 LYS 56 -13.938 28.759 -3.561 427 HZ3 LYS 56 HZ3 LYS 56 -14.461 27.309 -2.880 428 H LYS 57 H LYS 57 -7.428 25.548 0.644 429 HA LYS 57 HA LYS 57 -5.642 23.693 -0.522 430 HB2 LYS 57 HB1 LYS 57 -6.682 23.346 2.267 431 HB3 LYS 57 HB2 LYS 57 -5.036 23.147 1.674 432 HG2 LYS 57 HG1 LYS 57 -6.505 25.714 2.356 433 HG3 LYS 57 HG2 LYS 57 -5.133 24.991 3.223 434 HD2 LYS 57 HD1 LYS 57 -3.666 26.134 1.968 435 HD3 LYS 57 HD2 LYS 57 -4.408 25.570 0.461 436 HE2 LYS 57 HE1 LYS 57 -6.246 27.310 0.883 437 HE3 LYS 57 HE2 LYS 57 -5.246 27.965 2.177 438 HZ1 LYS 57 HZ1 LYS 57 -3.550 28.466 0.475 439 HZ2 LYS 57 HZ2 LYS 57 -5.012 29.061 -0.045 440 HZ3 LYS 57 HZ3 LYS 57 -4.438 27.718 -0.674 441 H VAL 58 H VAL 58 -5.923 21.652 -1.068 442 HA VAL 58 HA VAL 58 -8.193 20.009 -0.139 443 HB VAL 58 HB VAL 58 -8.814 21.284 -2.272 444 HG11 VAL 58 HG11 VAL 58 -8.082 20.333 -4.421 445 HG12 VAL 58 HG12 VAL 58 -6.735 21.061 -3.533 446 HG13 VAL 58 HG13 VAL 58 -6.927 19.289 -3.587 447 HG21 VAL 58 HG21 VAL 58 -10.102 19.496 -3.187 448 HG22 VAL 58 HG22 VAL 58 -9.041 18.265 -2.491 449 HG23 VAL 58 HG23 VAL 58 -10.039 19.288 -1.430 450 H MET 59 H MET 59 -7.915 17.704 -1.101 451 HA MET 59 HA MET 59 -5.068 16.877 -1.332 452 HB2 MET 59 HB1 MET 59 -7.089 15.893 0.701 453 HB3 MET 59 HB2 MET 59 -5.701 14.895 0.200 454 HG2 MET 59 HG1 MET 59 -4.128 16.476 0.986 455 HG3 MET 59 HG2 MET 59 -5.345 17.734 1.204 456 HE1 MET 59 HE1 MET 59 -7.332 17.552 2.779 457 HE2 MET 59 HE2 MET 59 -6.983 17.165 4.477 458 HE3 MET 59 HE3 MET 59 -6.026 18.403 3.641 459 H GLY 60 H GLY 60 -4.816 14.715 -2.171 460 HA2 GLY 60 HA3 GLY 60 -7.001 13.600 -3.777 461 HA3 GLY 60 HA2 GLY 60 -5.730 14.446 -4.688 462 H MET 61 H MET 61 -5.792 12.140 -5.592 463 HA MET 61 HA MET 61 -3.576 10.523 -4.545 464 HB2 MET 61 HB1 MET 61 -5.351 9.651 -3.232 465 HB3 MET 61 HB2 MET 61 -6.494 9.748 -4.587 466 HG2 MET 61 HG1 MET 61 -5.048 7.945 -5.690 467 HG3 MET 61 HG2 MET 61 -4.317 7.738 -4.102 468 HE1 MET 61 HE1 MET 61 -7.795 6.917 -2.098 469 HE2 MET 61 HE2 MET 61 -6.278 7.845 -1.988 470 HE3 MET 61 HE3 MET 61 -7.699 8.551 -2.804 471 H ARG 62 H ARG 62 -2.694 9.248 -6.198 472 HA ARG 62 HA ARG 62 -3.942 8.893 -8.759 473 HB2 ARG 62 HB1 ARG 62 -2.366 10.243 -10.117 474 HB3 ARG 62 HB2 ARG 62 -3.512 11.192 -9.101 475 HG2 ARG 62 HG1 ARG 62 -1.593 12.390 -9.093 476 HG3 ARG 62 HG2 ARG 62 -1.717 11.600 -7.509 477 HD2 ARG 62 HD1 ARG 62 0.520 11.673 -8.065 478 HD3 ARG 62 HD2 ARG 62 0.079 10.001 -8.228 479 HE ARG 62 HE ARG 62 -0.056 10.721 -10.791 480 HH11 ARG 62 HH12 ARG 62 2.383 11.497 -8.318 481 HH12 ARG 62 HH11 ARG 62 3.588 11.902 -9.474 482 HH21 ARG 62 HH22 ARG 62 1.609 11.175 -12.265 483 HH22 ARG 62 HH21 ARG 62 3.184 11.634 -11.679 484 HA PRO 63 HA PRO 63 -1.087 5.663 -8.736 485 HB2 PRO 63 HB1 PRO 63 -0.919 4.765 -11.289 486 HB3 PRO 63 HB2 PRO 63 -2.427 4.668 -10.333 487 HG2 PRO 63 HG1 PRO 63 -1.638 6.818 -12.317 488 HG3 PRO 63 HG2 PRO 63 -3.187 5.899 -12.230 489 HD2 PRO 63 HD1 PRO 63 -2.933 8.379 -11.114 490 HD3 PRO 63 HD2 PRO 63 -3.885 7.091 -10.316 491 H VAL 64 H VAL 64 0.943 4.817 -9.208 492 HA VAL 64 HA VAL 64 2.933 6.523 -10.600 493 HB VAL 64 HB VAL 64 4.512 6.364 -8.694 494 HG11 VAL 64 HG11 VAL 64 1.952 7.773 -7.864 495 HG12 VAL 64 HG12 VAL 64 3.610 8.142 -7.358 496 HG13 VAL 64 HG13 VAL 64 3.130 8.402 -9.041 497 HG21 VAL 64 HG21 VAL 64 3.744 5.827 -6.430 498 HG22 VAL 64 HG22 VAL 64 2.165 5.319 -7.063 499 HG23 VAL 64 HG23 VAL 64 3.650 4.430 -7.501 500 HA PRO 65 HA PRO 65 4.257 2.626 -12.028 501 HB2 PRO 65 HB1 PRO 65 6.760 3.017 -12.915 502 HB3 PRO 65 HB2 PRO 65 5.382 3.971 -13.543 503 HG2 PRO 65 HG1 PRO 65 7.369 4.767 -11.404 504 HG3 PRO 65 HG2 PRO 65 6.833 5.726 -12.829 505 HD2 PRO 65 HD1 PRO 65 5.750 6.009 -10.308 506 HD3 PRO 65 HD2 PRO 65 4.808 6.270 -11.793 507 H PHE 66 H PHE 66 6.138 3.753 -9.319 508 HA PHE 66 HA PHE 66 6.371 1.223 -8.070 509 HB2 PHE 66 HB1 PHE 66 8.757 0.822 -8.158 510 HB3 PHE 66 HB2 PHE 66 8.074 0.720 -9.770 511 HD1 PHE 66 HD1 PHE 66 8.539 2.417 -11.419 512 HD2 PHE 66 HD2 PHE 66 10.255 2.608 -7.485 513 HE1 PHE 66 HE1 PHE 66 10.074 4.281 -12.171 514 HE2 PHE 66 HE2 PHE 66 11.586 4.603 -8.134 515 HZ PHE 66 HZ PHE 66 11.564 5.386 -10.508 516 H LEU 67 H LEU 67 7.722 1.347 -6.136 517 HA LEU 67 HA LEU 67 8.259 4.127 -5.145 518 HB2 LEU 67 HB1 LEU 67 7.768 1.689 -3.419 519 HB3 LEU 67 HB2 LEU 67 7.938 3.371 -2.891 520 HG LEU 67 HG LEU 67 5.603 2.130 -4.400 521 HD11 LEU 67 HD11 LEU 67 5.813 1.577 -2.017 522 HD12 LEU 67 HD12 LEU 67 4.400 2.611 -2.303 523 HD13 LEU 67 HD13 LEU 67 5.904 3.305 -1.617 524 HD21 LEU 67 HD21 LEU 67 5.880 4.456 -5.185 525 HD22 LEU 67 HD22 LEU 67 5.929 5.019 -3.500 526 HD23 LEU 67 HD23 LEU 67 4.453 4.268 -4.170 527 H GLU 68 H GLU 68 10.141 4.330 -3.848 528 HA GLU 68 HA GLU 68 12.228 2.229 -4.210 529 HB2 GLU 68 HB1 GLU 68 12.826 3.903 -5.816 530 HB3 GLU 68 HB2 GLU 68 12.599 5.216 -4.647 531 HG2 GLU 68 HG1 GLU 68 14.544 4.616 -3.426 532 HG3 GLU 68 HG2 GLU 68 14.601 2.987 -4.157 533 H VAL 69 H VAL 69 13.613 1.942 -2.547 534 HA VAL 69 HA VAL 69 13.445 3.703 -0.188 535 HB VAL 69 HB VAL 69 13.170 0.656 -0.064 536 HG11 VAL 69 HG11 VAL 69 14.492 1.414 1.843 537 HG12 VAL 69 HG12 VAL 69 13.303 2.679 2.212 538 HG13 VAL 69 HG13 VAL 69 12.894 0.963 2.395 539 HG21 VAL 69 HG21 VAL 69 11.031 1.677 -0.701 540 HG22 VAL 69 HG22 VAL 69 10.961 1.061 0.931 541 HG23 VAL 69 HG23 VAL 69 11.141 2.807 0.673 542 HA PRO 70 HA PRO 70 17.841 3.038 -0.763 543 HB2 PRO 70 HB1 PRO 70 18.852 4.289 1.456 544 HB3 PRO 70 HB2 PRO 70 18.146 5.170 0.067 545 HG2 PRO 70 HG1 PRO 70 16.789 4.402 2.665 546 HG3 PRO 70 HG2 PRO 70 16.806 6.012 1.859 547 HD2 PRO 70 HD1 PRO 70 14.723 4.286 1.551 548 HD3 PRO 70 HD2 PRO 70 15.306 5.277 0.183 549 HA PRO 71 HA PRO 71 19.110 -0.507 1.728 550 HB2 PRO 71 HB1 PRO 71 21.747 0.036 2.312 551 HB3 PRO 71 HB2 PRO 71 21.105 -0.628 0.772 552 HG2 PRO 71 HG1 PRO 71 21.867 2.212 1.395 553 HG3 PRO 71 HG2 PRO 71 22.191 1.246 -0.097 554 HD2 PRO 71 HD1 PRO 71 20.142 3.052 0.072 555 HD3 PRO 71 HD2 PRO 71 20.014 1.542 -0.872 556 H LYS 72 H LYS 72 19.081 -1.098 3.872 557 HA LYS 72 HA LYS 72 18.645 -0.901 6.091 558 HB2 LYS 72 HB1 LYS 72 20.264 1.630 6.172 559 HB3 LYS 72 HB2 LYS 72 20.020 0.433 7.457 560 HG2 LYS 72 HG1 LYS 72 21.615 0.059 4.893 561 HG3 LYS 72 HG2 LYS 72 22.257 0.310 6.527 562 HD2 LYS 72 HD1 LYS 72 21.483 -1.888 7.226 563 HD3 LYS 72 HD2 LYS 72 20.564 -2.098 5.707 564 HE2 LYS 72 HE1 LYS 72 22.659 -1.975 4.417 565 HE3 LYS 72 HE2 LYS 72 23.601 -1.836 5.903 566 HZ1 LYS 72 HZ1 LYS 72 22.865 -4.058 6.495 567 HZ2 LYS 72 HZ2 LYS 72 23.495 -4.083 4.972 568 HZ3 LYS 72 HZ3 LYS 72 21.879 -4.144 5.179 569 H GLY 73 H GLY 73 17.357 1.058 3.973 570 HA2 GLY 73 HA3 GLY 73 15.985 3.047 5.581 571 HA3 GLY 73 HA2 GLY 73 15.741 2.711 3.852 572 H ARG 74 H ARG 74 13.554 3.385 5.009 573 HA ARG 74 HA ARG 74 12.118 1.087 6.204 574 HB2 ARG 74 HB1 ARG 74 12.022 4.045 6.325 575 HB3 ARG 74 HB2 ARG 74 10.417 3.308 6.254 576 HG2 ARG 74 HG1 ARG 74 12.558 2.510 8.255 577 HG3 ARG 74 HG2 ARG 74 11.262 3.684 8.581 578 HD2 ARG 74 HD1 ARG 74 9.562 2.049 8.179 579 HD3 ARG 74 HD2 ARG 74 10.812 0.854 7.788 580 HE ARG 74 HE ARG 74 11.461 0.731 10.052 581 HH11 ARG 74 HH12 ARG 74 8.634 2.928 9.739 582 HH12 ARG 74 HH11 ARG 74 7.998 2.334 11.261 583 HH21 ARG 74 HH22 ARG 74 10.485 -0.001 11.811 584 HH22 ARG 74 HH21 ARG 74 9.083 0.827 12.471 585 H VAL 75 H VAL 75 10.436 0.048 5.253 586 HA VAL 75 HA VAL 75 9.631 0.871 2.498 587 HB VAL 75 HB VAL 75 9.586 -1.974 3.566 588 HG11 VAL 75 HG11 VAL 75 9.408 -2.587 1.170 589 HG12 VAL 75 HG12 VAL 75 8.063 -1.542 1.617 590 HG13 VAL 75 HG13 VAL 75 9.432 -0.875 0.712 591 HG21 VAL 75 HG21 VAL 75 11.718 -0.905 1.698 592 HG22 VAL 75 HG22 VAL 75 11.961 -1.218 3.429 593 HG23 VAL 75 HG23 VAL 75 11.546 -2.542 2.339 594 H GLU 76 H GLU 76 8.330 2.256 4.072 595 HA GLU 76 HA GLU 76 5.757 0.902 4.754 596 HB2 GLU 76 HB1 GLU 76 5.329 3.238 5.883 597 HB3 GLU 76 HB2 GLU 76 6.150 1.920 6.747 598 HG2 GLU 76 HG1 GLU 76 8.316 2.912 6.273 599 HG3 GLU 76 HG2 GLU 76 7.566 4.202 5.342 600 H LEU 77 H LEU 77 4.132 1.243 3.526 601 HA LEU 77 HA LEU 77 4.202 3.018 1.217 602 HB2 LEU 77 HB1 LEU 77 2.493 0.895 2.394 603 HB3 LEU 77 HB2 LEU 77 1.555 2.215 1.639 604 HG LEU 77 HG LEU 77 2.736 1.967 -0.416 605 HD11 LEU 77 HD11 LEU 77 4.256 -0.361 0.856 606 HD12 LEU 77 HD12 LEU 77 4.960 1.146 0.248 607 HD13 LEU 77 HD13 LEU 77 4.220 0.000 -0.882 608 HD21 LEU 77 HD21 LEU 77 1.934 -0.874 0.288 609 HD22 LEU 77 HD22 LEU 77 1.657 0.032 -1.210 610 HD23 LEU 77 HD23 LEU 77 0.732 0.401 0.261 611 H LYS 78 H LYS 78 2.816 3.183 4.398 612 HA LYS 78 HA LYS 78 2.613 5.077 5.721 613 HB2 LYS 78 HB1 LYS 78 3.912 6.264 3.763 614 HB3 LYS 78 HB2 LYS 78 2.336 6.974 3.383 615 HG2 LYS 78 HG1 LYS 78 3.339 8.610 4.681 616 HG3 LYS 78 HG2 LYS 78 2.366 7.757 5.883 617 HD2 LYS 78 HD1 LYS 78 4.385 6.326 6.397 618 HD3 LYS 78 HD2 LYS 78 5.331 7.288 5.241 619 HE2 LYS 78 HE1 LYS 78 4.931 9.307 6.673 620 HE3 LYS 78 HE2 LYS 78 4.065 8.261 7.831 621 HZ1 LYS 78 HZ1 LYS 78 6.143 6.910 7.917 622 HZ2 LYS 78 HZ2 LYS 78 6.358 8.434 8.529 623 HZ3 LYS 78 HZ3 LYS 78 6.906 8.000 7.025 624 HA PRO 79 HA PRO 79 -1.896 4.880 5.347 625 HB2 PRO 79 HB1 PRO 79 -2.665 5.821 7.766 626 HB3 PRO 79 HB2 PRO 79 -1.848 4.241 7.528 627 HG2 PRO 79 HG1 PRO 79 -0.560 6.886 8.280 628 HG3 PRO 79 HG2 PRO 79 -0.399 5.300 9.121 629 HD2 PRO 79 HD1 PRO 79 1.447 6.115 7.307 630 HD3 PRO 79 HD2 PRO 79 0.912 4.407 7.362 631 H GLY 80 H GLY 80 -0.615 7.145 4.050 632 HA2 GLY 80 HA3 GLY 80 -2.627 8.950 3.495 633 HA3 GLY 80 HA2 GLY 80 -1.683 9.681 4.814 634 H GLY 81 H GLY 81 -0.050 7.669 2.295 635 HA2 GLY 81 HA3 GLY 81 0.578 10.027 0.716 636 HA3 GLY 81 HA2 GLY 81 1.954 9.445 1.679 637 H TYR 82 H TYR 82 1.472 6.606 1.218 638 HA TYR 82 HA TYR 82 0.887 6.276 -1.625 639 HB2 TYR 82 HB1 TYR 82 3.340 5.017 -0.375 640 HB3 TYR 82 HB2 TYR 82 2.632 4.573 -1.941 641 HD1 TYR 82 HD1 TYR 82 4.544 7.119 -0.096 642 HD2 TYR 82 HD2 TYR 82 2.815 6.008 -3.875 643 HE1 TYR 82 HE1 TYR 82 5.826 8.923 -1.206 644 HE2 TYR 82 HE2 TYR 82 4.117 7.757 -5.004 645 HH TYR 82 HH TYR 82 6.322 9.961 -3.209 646 H HIS 83 H HIS 83 0.111 4.237 -2.213 647 HA HIS 83 HA HIS 83 -0.198 2.127 -0.290 648 HB2 HIS 83 HB1 HIS 83 -2.643 2.117 -0.056 649 HB3 HIS 83 HB2 HIS 83 -1.863 3.477 0.756 650 HD1 HIS 83 HD1 HIS 83 -2.048 5.893 -0.688 651 HD2 HIS 83 HD2 HIS 83 -4.410 2.636 -1.922 652 HE1 HIS 83 HE1 HIS 83 -3.682 6.801 -2.405 653 H PHE 84 H PHE 84 -1.251 0.213 -1.144 654 HA PHE 84 HA PHE 84 -1.529 0.190 -4.097 655 HB2 PHE 84 HB1 PHE 84 -1.966 -1.945 -1.986 656 HB3 PHE 84 HB2 PHE 84 -2.225 -2.170 -3.731 657 HD1 PHE 84 HD2 PHE 84 -0.186 -1.533 -5.277 658 HD2 PHE 84 HD1 PHE 84 0.141 -2.529 -1.092 659 HE1 PHE 84 HE2 PHE 84 2.173 -2.203 -5.616 660 HE2 PHE 84 HE1 PHE 84 2.507 -3.180 -1.439 661 HZ PHE 84 HZ PHE 84 3.521 -3.032 -3.692 662 H MET 85 H MET 85 -3.448 0.231 -5.116 663 HA MET 85 HA MET 85 -6.053 0.392 -3.656 664 HB2 MET 85 HB1 MET 85 -5.252 1.903 -5.762 665 HB3 MET 85 HB2 MET 85 -6.064 0.559 -6.593 666 HG2 MET 85 HG1 MET 85 -7.723 2.229 -6.149 667 HG3 MET 85 HG2 MET 85 -8.028 0.870 -5.061 668 HE1 MET 85 HE1 MET 85 -9.655 3.328 -4.246 669 HE2 MET 85 HE2 MET 85 -9.425 1.843 -3.290 670 HE3 MET 85 HE3 MET 85 -9.233 3.425 -2.515 671 H LEU 86 H LEU 86 -7.336 -1.406 -3.710 672 HA LEU 86 HA LEU 86 -6.383 -3.834 -5.213 673 HB2 LEU 86 HB1 LEU 86 -7.618 -3.448 -2.467 674 HB3 LEU 86 HB2 LEU 86 -7.683 -5.008 -3.337 675 HG LEU 86 HG LEU 86 -5.287 -5.243 -3.228 676 HD11 LEU 86 HD11 LEU 86 -3.897 -3.725 -1.808 677 HD12 LEU 86 HD12 LEU 86 -5.244 -2.567 -1.773 678 HD13 LEU 86 HD13 LEU 86 -4.433 -2.972 -3.303 679 HD21 LEU 86 HD21 LEU 86 -6.495 -4.474 -0.526 680 HD22 LEU 86 HD22 LEU 86 -5.093 -5.533 -0.775 681 HD23 LEU 86 HD23 LEU 86 -6.692 -6.039 -1.344 682 H LEU 87 H LEU 87 -7.907 -4.950 -6.392 683 HA LEU 87 HA LEU 87 -10.752 -4.023 -6.333 684 HB2 LEU 87 HB1 LEU 87 -8.663 -3.944 -8.476 685 HB3 LEU 87 HB2 LEU 87 -10.274 -4.450 -8.997 686 HG LEU 87 HG LEU 87 -10.029 -1.966 -7.289 687 HD11 LEU 87 HD11 LEU 87 -9.370 -2.045 -10.256 688 HD12 LEU 87 HD12 LEU 87 -8.265 -1.619 -8.925 689 HD13 LEU 87 HD13 LEU 87 -9.646 -0.577 -9.286 690 HD21 LEU 87 HD21 LEU 87 -12.244 -2.906 -7.942 691 HD22 LEU 87 HD22 LEU 87 -11.798 -2.741 -9.653 692 HD23 LEU 87 HD23 LEU 87 -11.976 -1.293 -8.641 693 H GLY 88 H GLY 88 -12.283 -5.526 -6.577 694 HA2 GLY 88 HA3 GLY 88 -13.312 -7.500 -7.145 695 HA3 GLY 88 HA2 GLY 88 -11.820 -8.017 -7.961 696 H LEU 89 H LEU 89 -12.112 -7.157 -4.525 697 HA LEU 89 HA LEU 89 -10.720 -9.229 -3.472 698 HB2 LEU 89 HB1 LEU 89 -12.004 -8.800 -1.325 699 HB3 LEU 89 HB2 LEU 89 -11.074 -7.484 -2.063 700 HG LEU 89 HG LEU 89 -13.124 -6.404 -2.812 701 HD11 LEU 89 HD11 LEU 89 -14.640 -8.240 -3.282 702 HD12 LEU 89 HD12 LEU 89 -15.358 -7.240 -2.023 703 HD13 LEU 89 HD13 LEU 89 -14.591 -8.782 -1.584 704 HD21 LEU 89 HD21 LEU 89 -12.241 -5.976 -0.555 705 HD22 LEU 89 HD22 LEU 89 -13.243 -7.296 0.092 706 HD23 LEU 89 HD23 LEU 89 -14.005 -5.842 -0.574 707 H LYS 90 H LYS 90 -10.976 -10.898 -2.209 708 HA LYS 90 HA LYS 90 -13.142 -12.787 -3.115 709 HB2 LYS 90 HB1 LYS 90 -10.321 -13.496 -2.336 710 HB3 LYS 90 HB2 LYS 90 -11.547 -14.553 -3.073 711 HG2 LYS 90 HG1 LYS 90 -10.018 -12.270 -4.364 712 HG3 LYS 90 HG2 LYS 90 -9.958 -14.006 -4.750 713 HD2 LYS 90 HD1 LYS 90 -12.290 -13.891 -5.569 714 HD3 LYS 90 HD2 LYS 90 -12.285 -12.144 -5.181 715 HE2 LYS 90 HE1 LYS 90 -10.317 -11.938 -6.787 716 HE3 LYS 90 HE2 LYS 90 -10.705 -13.559 -7.356 717 HZ1 LYS 90 HZ1 LYS 90 -12.467 -11.173 -7.369 718 HZ2 LYS 90 HZ2 LYS 90 -12.979 -12.659 -7.868 719 HZ3 LYS 90 HZ3 LYS 90 -11.839 -11.843 -8.706 720 H ARG 91 H ARG 91 -11.940 -11.332 -0.313 721 HA ARG 91 HA ARG 91 -13.563 -13.156 1.402 722 HB2 ARG 91 HB1 ARG 91 -10.934 -11.802 2.112 723 HB3 ARG 91 HB2 ARG 91 -12.091 -12.344 3.351 724 HG2 ARG 91 HG1 ARG 91 -11.850 -14.612 2.764 725 HG3 ARG 91 HG2 ARG 91 -11.004 -14.234 1.247 726 HD2 ARG 91 HD1 ARG 91 -9.522 -15.184 2.965 727 HD3 ARG 91 HD2 ARG 91 -9.013 -13.578 2.433 728 HE ARG 91 HE ARG 91 -10.581 -13.234 4.782 729 HH11 ARG 91 HH12 ARG 91 -7.322 -14.610 4.009 730 HH12 ARG 91 HH11 ARG 91 -6.765 -14.075 5.583 731 HH21 ARG 91 HH22 ARG 91 -9.747 -12.784 6.613 732 HH22 ARG 91 HH21 ARG 91 -8.035 -13.143 6.992 733 HA PRO 92 HA PRO 92 -15.720 -9.328 2.190 734 HB2 PRO 92 HB1 PRO 92 -16.804 -9.693 4.667 735 HB3 PRO 92 HB2 PRO 92 -17.355 -10.622 3.241 736 HG2 PRO 92 HG1 PRO 92 -15.337 -11.471 5.344 737 HG3 PRO 92 HG2 PRO 92 -16.752 -12.400 4.733 738 HD2 PRO 92 HD1 PRO 92 -14.233 -12.799 3.756 739 HD3 PRO 92 HD2 PRO 92 -15.663 -12.871 2.688 740 H LEU 93 H LEU 93 -15.457 -7.332 3.296 741 HA LEU 93 HA LEU 93 -13.006 -7.059 4.922 742 HB2 LEU 93 HB1 LEU 93 -14.780 -5.091 3.449 743 HB3 LEU 93 HB2 LEU 93 -13.511 -4.594 4.583 744 HG LEU 93 HG LEU 93 -13.054 -6.278 2.089 745 HD11 LEU 93 HD11 LEU 93 -12.570 -3.301 2.520 746 HD12 LEU 93 HD12 LEU 93 -13.796 -4.035 1.451 747 HD13 LEU 93 HD13 LEU 93 -12.080 -4.246 1.106 748 HD21 LEU 93 HD21 LEU 93 -10.656 -5.655 2.392 749 HD22 LEU 93 HD22 LEU 93 -11.261 -6.652 3.708 750 HD23 LEU 93 HD23 LEU 93 -11.069 -4.896 3.940 751 H LYS 94 H LYS 94 -13.277 -7.355 6.861 752 HA LYS 94 HA LYS 94 -15.589 -6.202 8.383 753 HB2 LYS 94 HB1 LYS 94 -13.743 -8.444 9.259 754 HB3 LYS 94 HB2 LYS 94 -15.217 -7.883 10.075 755 HG2 LYS 94 HG1 LYS 94 -16.607 -8.835 8.307 756 HG3 LYS 94 HG2 LYS 94 -15.154 -9.321 7.387 757 HD2 LYS 94 HD1 LYS 94 -14.382 -10.653 9.334 758 HD3 LYS 94 HD2 LYS 94 -15.871 -10.255 10.198 759 HE2 LYS 94 HE1 LYS 94 -17.156 -11.667 8.818 760 HE3 LYS 94 HE2 LYS 94 -16.058 -11.429 7.424 761 HZ1 LYS 94 HZ1 LYS 94 -15.321 -13.017 9.802 762 HZ2 LYS 94 HZ2 LYS 94 -14.482 -12.825 8.395 763 HZ3 LYS 94 HZ3 LYS 94 -15.880 -13.660 8.376 764 H ALA 95 H ALA 95 -14.891 -5.730 10.648 765 HA ALA 95 HA ALA 95 -12.087 -4.817 11.036 766 HB1 ALA 95 HB1 ALA 95 -12.829 -4.307 13.307 767 HB2 ALA 95 HB2 ALA 95 -13.768 -3.391 12.124 768 HB3 ALA 95 HB3 ALA 95 -14.488 -4.824 12.923 769 H GLY 96 H GLY 96 -10.764 -6.206 12.079 770 HA2 GLY 96 HA3 GLY 96 -9.980 -8.123 13.134 771 HA3 GLY 96 HA2 GLY 96 -11.667 -8.513 13.538 772 H GLU 97 H GLU 97 -10.101 -8.232 10.382 773 HA GLU 97 HA GLU 97 -9.826 -11.201 10.346 774 HB2 GLU 97 HB1 GLU 97 -10.048 -9.594 7.789 775 HB3 GLU 97 HB2 GLU 97 -9.710 -11.340 7.985 776 HG2 GLU 97 HG1 GLU 97 -12.076 -11.195 9.247 777 HG3 GLU 97 HG2 GLU 97 -12.291 -9.872 8.095 778 H GLU 98 H GLU 98 -7.891 -11.685 8.694 779 HA GLU 98 HA GLU 98 -5.780 -9.780 8.724 780 HB2 GLU 98 HB1 GLU 98 -4.129 -11.245 9.754 781 HB3 GLU 98 HB2 GLU 98 -5.376 -10.746 10.912 782 HG2 GLU 98 HG1 GLU 98 -6.440 -12.951 10.746 783 HG3 GLU 98 HG2 GLU 98 -5.272 -13.455 9.500 784 H VAL 99 H VAL 99 -4.573 -10.060 7.132 785 HA VAL 99 HA VAL 99 -5.160 -12.097 4.999 786 HB VAL 99 HB VAL 99 -5.479 -9.074 5.061 787 HG11 VAL 99 HG11 VAL 99 -4.132 -9.452 3.032 788 HG12 VAL 99 HG12 VAL 99 -5.278 -10.709 2.499 789 HG13 VAL 99 HG13 VAL 99 -5.771 -9.000 2.648 790 HG21 VAL 99 HG21 VAL 99 -7.676 -9.599 4.062 791 HG22 VAL 99 HG22 VAL 99 -7.259 -11.324 4.014 792 HG23 VAL 99 HG23 VAL 99 -7.450 -10.492 5.573 793 H GLU 100 H GLU 100 -3.454 -12.669 3.759 794 HA GLU 100 HA GLU 100 -0.835 -11.464 4.268 795 HB2 GLU 100 HB1 GLU 100 0.086 -13.244 3.015 796 HB3 GLU 100 HB2 GLU 100 -1.143 -13.907 4.112 797 HG2 GLU 100 HG1 GLU 100 -2.745 -13.710 2.069 798 HG3 GLU 100 HG2 GLU 100 -1.272 -13.520 1.099 799 H LEU 101 H LEU 101 0.435 -10.422 2.909 800 HA LEU 101 HA LEU 101 -0.382 -9.868 0.117 801 HB2 LEU 101 HB1 LEU 101 0.518 -7.967 2.241 802 HB3 LEU 101 HB2 LEU 101 1.358 -7.843 0.662 803 HG LEU 101 HG LEU 101 -0.907 -7.637 -0.421 804 HD11 LEU 101 HD11 LEU 101 -1.832 -7.020 2.425 805 HD12 LEU 101 HD12 LEU 101 -2.365 -8.397 1.448 806 HD13 LEU 101 HD13 LEU 101 -2.769 -6.760 0.940 807 HD21 LEU 101 HD21 LEU 101 -1.057 -5.241 0.064 808 HD22 LEU 101 HD22 LEU 101 0.624 -5.759 -0.130 809 HD23 LEU 101 HD23 LEU 101 -0.025 -5.454 1.500 810 H ASP 102 H ASP 102 1.183 -10.040 -1.354 811 HA ASP 102 HA ASP 102 3.949 -10.868 -0.620 812 HB2 ASP 102 HB1 ASP 102 2.117 -11.705 -2.884 813 HB3 ASP 102 HB2 ASP 102 3.873 -11.909 -2.950 814 H LEU 103 H LEU 103 5.161 -9.060 -0.943 815 HA LEU 103 HA LEU 103 4.346 -6.939 -2.825 816 HB2 LEU 103 HB1 LEU 103 6.649 -7.329 -0.891 817 HB3 LEU 103 HB2 LEU 103 6.560 -5.944 -2.009 818 HG LEU 103 HG LEU 103 4.486 -5.191 -0.924 819 HD11 LEU 103 HD11 LEU 103 4.934 -7.593 0.890 820 HD12 LEU 103 HD12 LEU 103 3.463 -7.163 -0.017 821 HD13 LEU 103 HD13 LEU 103 3.951 -6.200 1.375 822 HD21 LEU 103 HD21 LEU 103 5.585 -4.462 1.180 823 HD22 LEU 103 HD22 LEU 103 6.703 -4.380 -0.188 824 HD23 LEU 103 HD23 LEU 103 6.815 -5.724 0.966 825 H LEU 104 H LEU 104 5.344 -6.460 -4.779 826 HA LEU 104 HA LEU 104 7.332 -8.431 -5.810 827 HB2 LEU 104 HB1 LEU 104 5.436 -6.553 -7.250 828 HB3 LEU 104 HB2 LEU 104 6.543 -7.662 -8.036 829 HG LEU 104 HG LEU 104 4.087 -8.320 -6.365 830 HD11 LEU 104 HD11 LEU 104 4.733 -8.853 -9.289 831 HD12 LEU 104 HD12 LEU 104 3.644 -7.593 -8.669 832 HD13 LEU 104 HD13 LEU 104 3.231 -9.298 -8.445 833 HD21 LEU 104 HD21 LEU 104 6.081 -10.286 -7.583 834 HD22 LEU 104 HD22 LEU 104 4.495 -10.720 -6.905 835 HD23 LEU 104 HD23 LEU 104 5.746 -10.060 -5.851 836 H PHE 105 H PHE 105 9.292 -7.714 -5.461 837 HA PHE 105 HA PHE 105 10.012 -4.895 -6.020 838 HB2 PHE 105 HB1 PHE 105 11.562 -7.126 -4.708 839 HB3 PHE 105 HB2 PHE 105 12.187 -5.503 -5.008 840 HD1 PHE 105 HD2 PHE 105 11.377 -3.579 -3.647 841 HD2 PHE 105 HD1 PHE 105 9.930 -7.585 -2.956 842 HE1 PHE 105 HE2 PHE 105 10.411 -2.862 -1.484 843 HE2 PHE 105 HE1 PHE 105 8.973 -6.859 -0.808 844 HZ PHE 105 HZ PHE 105 9.196 -4.501 -0.062 845 H ALA 106 H ALA 106 11.631 -4.353 -7.400 846 HA ALA 106 HA ALA 106 11.306 -5.263 -9.946 847 HB1 ALA 106 HB1 ALA 106 12.167 -3.063 -9.346 848 HB2 ALA 106 HB2 ALA 106 13.716 -3.774 -8.828 849 HB3 ALA 106 HB3 ALA 106 13.230 -3.829 -10.537 850 H GLY 107 H GLY 107 11.955 -6.828 -11.221 851 HA2 GLY 107 HA3 GLY 107 13.239 -8.528 -12.144 852 HA3 GLY 107 HA2 GLY 107 14.529 -8.184 -10.969 853 H GLY 108 H GLY 108 11.093 -9.111 -10.509 854 HA2 GLY 108 HA3 GLY 108 10.099 -11.084 -9.978 855 HA3 GLY 108 HA2 GLY 108 11.681 -11.878 -10.140 856 H LYS 109 H LYS 109 11.550 -9.353 -7.710 857 HA LYS 109 HA LYS 109 12.164 -11.516 -5.760 858 HB2 LYS 109 HB1 LYS 109 12.673 -8.540 -5.887 859 HB3 LYS 109 HB2 LYS 109 12.933 -9.480 -4.398 860 HG2 LYS 109 HG1 LYS 109 14.667 -10.706 -5.299 861 HG3 LYS 109 HG2 LYS 109 14.003 -10.610 -6.946 862 HD2 LYS 109 HD1 LYS 109 14.600 -8.015 -6.624 863 HD3 LYS 109 HD2 LYS 109 15.765 -8.650 -5.459 864 HE2 LYS 109 HE1 LYS 109 16.997 -9.754 -7.134 865 HE3 LYS 109 HE2 LYS 109 15.554 -9.959 -8.173 866 HZ1 LYS 109 HZ1 LYS 109 15.629 -7.598 -8.612 867 HZ2 LYS 109 HZ2 LYS 109 17.016 -8.338 -9.115 868 HZ3 LYS 109 HZ3 LYS 109 17.006 -7.425 -7.736 869 H VAL 110 H VAL 110 10.471 -12.333 -4.932 870 HA VAL 110 HA VAL 110 8.230 -10.646 -4.124 871 HB VAL 110 HB VAL 110 7.754 -12.634 -5.439 872 HG11 VAL 110 HG11 VAL 110 8.544 -14.298 -3.012 873 HG12 VAL 110 HG12 VAL 110 7.846 -14.889 -4.527 874 HG13 VAL 110 HG13 VAL 110 9.468 -14.179 -4.527 875 HG21 VAL 110 HG21 VAL 110 6.027 -11.662 -3.952 876 HG22 VAL 110 HG22 VAL 110 5.806 -13.399 -4.217 877 HG23 VAL 110 HG23 VAL 110 6.477 -12.818 -2.680 878 H LEU 111 H LEU 111 7.484 -10.288 -2.040 879 HA LEU 111 HA LEU 111 8.886 -11.675 0.194 880 HB2 LEU 111 HB1 LEU 111 9.795 -9.315 -0.511 881 HB3 LEU 111 HB2 LEU 111 8.366 -8.708 0.340 882 HG LEU 111 HG LEU 111 10.239 -8.601 1.777 883 HD11 LEU 111 HD11 LEU 111 8.091 -9.360 2.842 884 HD12 LEU 111 HD12 LEU 111 9.575 -9.700 3.745 885 HD13 LEU 111 HD13 LEU 111 8.782 -11.007 2.865 886 HD21 LEU 111 HD21 LEU 111 10.739 -11.576 1.399 887 HD22 LEU 111 HD22 LEU 111 11.669 -10.455 2.412 888 HD23 LEU 111 HD23 LEU 111 11.678 -10.265 0.650 889 H LYS 112 H LYS 112 7.608 -12.395 1.668 890 HA LYS 112 HA LYS 112 4.689 -11.925 1.477 891 HB2 LYS 112 HB1 LYS 112 5.560 -14.218 1.397 892 HB3 LYS 112 HB2 LYS 112 6.374 -13.980 2.967 893 HG2 LYS 112 HG1 LYS 112 4.495 -15.253 3.473 894 HG3 LYS 112 HG2 LYS 112 4.035 -13.624 3.963 895 HD2 LYS 112 HD1 LYS 112 2.137 -14.545 2.881 896 HD3 LYS 112 HD2 LYS 112 2.837 -13.441 1.688 897 HE2 LYS 112 HE1 LYS 112 4.012 -15.401 0.639 898 HE3 LYS 112 HE2 LYS 112 3.235 -16.473 1.820 899 HZ1 LYS 112 HZ1 LYS 112 1.994 -16.430 -0.244 900 HZ2 LYS 112 HZ2 LYS 112 1.891 -14.808 -0.222 901 HZ3 LYS 112 HZ3 LYS 112 1.080 -15.693 0.913 902 H VAL 113 H VAL 113 3.607 -10.700 2.920 903 HA VAL 113 HA VAL 113 4.439 -10.696 5.786 904 HB VAL 113 HB VAL 113 3.567 -8.258 5.902 905 HG11 VAL 113 HG11 VAL 113 5.895 -8.928 6.421 906 HG12 VAL 113 HG12 VAL 113 6.327 -8.762 4.704 907 HG13 VAL 113 HG13 VAL 113 5.824 -7.339 5.640 908 HG21 VAL 113 HG21 VAL 113 3.946 -6.811 4.011 909 HG22 VAL 113 HG22 VAL 113 4.567 -8.158 3.038 910 HG23 VAL 113 HG23 VAL 113 2.854 -8.108 3.489 911 H VAL 114 H VAL 114 2.714 -10.676 7.241 912 HA VAL 114 HA VAL 114 -0.014 -10.821 6.041 913 HB VAL 114 HB VAL 114 0.728 -12.995 6.867 914 HG11 VAL 114 HG11 VAL 114 1.027 -13.487 9.224 915 HG12 VAL 114 HG12 VAL 114 2.222 -12.285 8.715 916 HG13 VAL 114 HG13 VAL 114 0.800 -11.784 9.659 917 HG21 VAL 114 HG21 VAL 114 -1.664 -12.390 6.855 918 HG22 VAL 114 HG22 VAL 114 -1.274 -13.525 8.156 919 HG23 VAL 114 HG23 VAL 114 -1.536 -11.811 8.529 920 H LEU 115 H LEU 115 -1.586 -9.583 6.866 921 HA LEU 115 HA LEU 115 -0.893 -7.649 9.041 922 HB2 LEU 115 HB1 LEU 115 -2.082 -6.887 6.354 923 HB3 LEU 115 HB2 LEU 115 -1.524 -5.818 7.659 924 HG LEU 115 HG LEU 115 0.820 -7.085 7.053 925 HD11 LEU 115 HD11 LEU 115 -0.235 -8.400 5.172 926 HD12 LEU 115 HD12 LEU 115 1.016 -7.289 4.608 927 HD13 LEU 115 HD13 LEU 115 -0.693 -6.869 4.405 928 HD21 LEU 115 HD21 LEU 115 0.589 -4.687 7.155 929 HD22 LEU 115 HD22 LEU 115 -0.335 -4.657 5.631 930 HD23 LEU 115 HD23 LEU 115 1.381 -5.138 5.646 931 HA PRO 116 HA PRO 116 -5.287 -8.183 9.991 932 HB2 PRO 116 HB1 PRO 116 -5.818 -5.870 11.365 933 HB3 PRO 116 HB2 PRO 116 -4.915 -7.250 12.063 934 HG2 PRO 116 HG1 PRO 116 -3.784 -4.747 10.778 935 HG3 PRO 116 HG2 PRO 116 -3.318 -5.488 12.351 936 HD2 PRO 116 HD1 PRO 116 -1.881 -5.957 10.097 937 HD3 PRO 116 HD2 PRO 116 -2.187 -7.262 11.281 938 H VAL 117 H VAL 117 -7.265 -7.447 9.323 939 HA VAL 117 HA VAL 117 -7.379 -5.319 7.210 940 HB VAL 117 HB VAL 117 -9.529 -7.313 8.076 941 HG11 VAL 117 HG11 VAL 117 -9.397 -5.433 5.666 942 HG12 VAL 117 HG12 VAL 117 -10.718 -6.564 6.058 943 HG13 VAL 117 HG13 VAL 117 -10.407 -5.172 7.099 944 HG21 VAL 117 HG21 VAL 117 -7.723 -7.355 5.611 945 HG22 VAL 117 HG22 VAL 117 -7.717 -8.528 6.945 946 HG23 VAL 117 HG23 VAL 117 -9.122 -8.412 5.878 947 H GLU 118 H GLU 118 -8.033 -3.321 7.941 948 HA GLU 118 HA GLU 118 -9.972 -3.088 10.053 949 HB2 GLU 118 HB1 GLU 118 -7.048 -2.597 10.565 950 HB3 GLU 118 HB2 GLU 118 -8.178 -1.402 11.246 951 HG2 GLU 118 HG1 GLU 118 -7.948 -4.331 11.897 952 HG3 GLU 118 HG2 GLU 118 -7.796 -2.935 12.978 953 H ALA 119 H ALA 119 -10.422 -0.893 10.700 954 HA ALA 119 HA ALA 119 -10.893 0.672 8.273 955 HB1 ALA 119 HB1 ALA 119 -12.335 2.011 9.766 956 HB2 ALA 119 HB2 ALA 119 -12.645 0.274 9.968 957 HB3 ALA 119 HB3 ALA 119 -11.680 1.150 11.176 958 H ARG 120 H ARG 120 -10.443 2.757 7.874 959 HA ARG 120 HA ARG 120 -9.774 4.746 9.575 960 HB2 ARG 120 HB1 ARG 120 -7.573 5.475 9.008 961 HB3 ARG 120 HB2 ARG 120 -7.432 3.827 9.617 962 HG2 ARG 120 HG1 ARG 120 -6.364 3.216 7.746 963 HG3 ARG 120 HG2 ARG 120 -7.736 3.703 6.747 964 HD2 ARG 120 HD1 ARG 120 -5.414 5.465 7.647 965 HD3 ARG 120 HD2 ARG 120 -5.746 4.862 6.005 966 HE ARG 120 HE ARG 120 -8.045 6.150 6.650 967 HH11 ARG 120 HH12 ARG 120 -4.855 7.663 6.810 968 HH12 ARG 120 HH11 ARG 120 -5.590 9.118 7.430 969 HH21 ARG 120 HH22 ARG 120 -8.780 7.774 7.378 970 HH22 ARG 120 HH21 ARG 120 -7.851 9.255 7.639 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 8.350 6.467 18.181 2 H2 GLY 1 2H GLY 1 9.285 6.456 16.817 3 H3 GLY 1 3H GLY 1 8.993 5.058 17.658 4 HA2 GLY 1 HA3 GLY 1 6.899 6.618 16.301 5 HA3 GLY 1 HA2 GLY 1 7.664 5.160 15.629 6 H SER 2 H SER 2 4.787 5.373 16.289 7 HA SER 2 HA SER 2 4.432 3.931 18.837 8 HB2 SER 2 HB1 SER 2 1.991 4.134 17.970 9 HB3 SER 2 HB2 SER 2 2.843 5.612 18.502 10 HG SER 2 HG SER 2 1.720 5.823 16.464 11 H PHE 3 H PHE 3 4.284 3.155 15.339 12 HA PHE 3 HA PHE 3 3.953 0.294 16.070 13 HB2 PHE 3 HB1 PHE 3 2.174 1.999 14.340 14 HB3 PHE 3 HB2 PHE 3 2.413 0.296 13.905 15 HD1 PHE 3 HD2 PHE 3 1.587 -1.535 15.295 16 HD2 PHE 3 HD1 PHE 3 0.920 2.590 16.377 17 HE1 PHE 3 HE2 PHE 3 -0.119 -2.245 16.911 18 HE2 PHE 3 HE1 PHE 3 -0.792 1.868 18.030 19 HZ PHE 3 HZ PHE 3 -1.320 -0.551 18.294 20 H THR 4 H THR 4 4.464 -1.146 14.367 21 HA THR 4 HA THR 4 5.964 -0.167 12.012 22 HB THR 4 HB THR 4 7.614 -0.730 13.763 23 HG1 THR 4 HG1 THR 4 7.387 -2.297 11.441 24 HG21 THR 4 HG21 THR 4 6.659 -3.615 13.427 25 HG22 THR 4 HG22 THR 4 6.473 -2.633 14.896 26 HG23 THR 4 HG23 THR 4 8.089 -3.066 14.315 27 H GLU 5 H GLU 5 3.277 -1.241 12.638 28 HA GLU 5 HA GLU 5 3.157 -3.663 10.914 29 HB2 GLU 5 HB1 GLU 5 1.199 -2.473 12.916 30 HB3 GLU 5 HB2 GLU 5 0.802 -3.810 11.810 31 HG2 GLU 5 HG1 GLU 5 2.533 -5.209 12.820 32 HG3 GLU 5 HG2 GLU 5 3.042 -3.879 13.875 33 H GLY 6 H GLY 6 1.046 -3.614 9.614 34 HA2 GLY 6 HA3 GLY 6 0.332 -0.929 8.620 35 HA3 GLY 6 HA2 GLY 6 0.795 -2.166 7.429 36 H TRP 7 H TRP 7 -1.666 -1.244 7.096 37 HA TRP 7 HA TRP 7 -3.380 -3.522 7.824 38 HB2 TRP 7 HB1 TRP 7 -5.074 -2.262 8.931 39 HB3 TRP 7 HB2 TRP 7 -3.540 -2.095 9.791 40 HD1 TRP 7 HD TRP 7 -6.335 -0.125 8.356 41 HE1 TRP 7 HE1 TRP 7 -5.924 2.390 8.650 42 HE3 TRP 7 3HE TRP 7 -1.441 -0.269 9.882 43 HZ2 TRP 7 HZ2 TRP 7 -3.725 4.111 9.303 44 HZ3 TRP 7 HZ3 TRP 7 -0.205 1.826 10.314 45 HH2 TRP 7 HH TRP 7 -1.331 4.030 10.046 46 H VAL 8 H VAL 8 -5.765 -2.806 7.112 47 HA VAL 8 HA VAL 8 -5.646 -1.874 4.248 48 HB VAL 8 HB VAL 8 -7.497 -3.940 5.514 49 HG11 VAL 8 HG11 VAL 8 -8.707 -2.697 3.761 50 HG12 VAL 8 HG12 VAL 8 -7.353 -2.924 2.633 51 HG13 VAL 8 HG13 VAL 8 -8.315 -4.312 3.183 52 HG21 VAL 8 HG21 VAL 8 -5.244 -4.868 5.111 53 HG22 VAL 8 HG22 VAL 8 -6.382 -5.531 3.941 54 HG23 VAL 8 HG23 VAL 8 -5.261 -4.245 3.448 55 H ARG 9 H ARG 9 -7.017 -0.214 3.686 56 HA ARG 9 HA ARG 9 -7.948 1.498 5.671 57 HB2 ARG 9 HB1 ARG 9 -8.755 2.903 3.971 58 HB3 ARG 9 HB2 ARG 9 -7.368 2.029 3.275 59 HG2 ARG 9 HG1 ARG 9 -8.790 1.867 1.519 60 HG3 ARG 9 HG2 ARG 9 -9.316 0.417 2.378 61 HD2 ARG 9 HD1 ARG 9 -11.389 1.273 2.086 62 HD3 ARG 9 HD2 ARG 9 -10.998 2.345 3.439 63 HE ARG 9 HE ARG 9 -10.297 4.026 1.774 64 HH11 ARG 9 HH12 ARG 9 -12.736 1.641 0.737 65 HH12 ARG 9 HH11 ARG 9 -13.092 2.489 -0.711 66 HH21 ARG 9 HH22 ARG 9 -11.062 5.239 0.085 67 HH22 ARG 9 HH21 ARG 9 -12.290 4.606 -0.982 68 H PHE 10 H PHE 10 -9.618 -1.187 4.487 69 HA PHE 10 HA PHE 10 -11.555 -2.231 4.872 70 HB2 PHE 10 HB1 PHE 10 -11.043 -1.854 7.177 71 HB3 PHE 10 HB2 PHE 10 -11.747 -0.232 7.135 72 HD1 PHE 10 HD1 PHE 10 -12.489 -3.839 7.165 73 HD2 PHE 10 HD2 PHE 10 -14.106 0.141 7.100 74 HE1 PHE 10 HE1 PHE 10 -14.799 -4.776 7.366 75 HE2 PHE 10 HE2 PHE 10 -16.414 -0.776 7.226 76 HZ PHE 10 HZ PHE 10 -16.756 -3.248 7.405 77 H SER 11 H SER 11 -13.750 -2.336 4.197 78 HA SER 11 HA SER 11 -15.489 -0.112 4.088 79 HB2 SER 11 HB1 SER 11 -14.083 -1.127 1.578 80 HB3 SER 11 HB2 SER 11 -15.720 -0.458 1.514 81 HG SER 11 HG SER 11 -13.716 0.958 2.856 82 HA PRO 12 HA PRO 12 -18.203 -3.713 3.552 83 HB2 PRO 12 HB1 PRO 12 -20.621 -2.540 3.251 84 HB3 PRO 12 HB2 PRO 12 -19.726 -2.428 4.795 85 HG2 PRO 12 HG1 PRO 12 -19.830 -0.386 2.556 86 HG3 PRO 12 HG2 PRO 12 -20.070 -0.111 4.319 87 HD2 PRO 12 HD1 PRO 12 -17.656 0.294 3.029 88 HD3 PRO 12 HD2 PRO 12 -17.772 -0.231 4.735 89 H GLY 13 H GLY 13 -17.919 -1.187 1.162 90 HA2 GLY 13 HA3 GLY 13 -18.914 -2.884 -1.061 91 HA3 GLY 13 HA2 GLY 13 -18.277 -1.229 -1.194 92 HA PRO 14 HA PRO 14 -15.287 -5.016 -1.397 93 HB2 PRO 14 HB1 PRO 14 -14.946 -5.594 -4.075 94 HB3 PRO 14 HB2 PRO 14 -16.252 -6.269 -3.054 95 HG2 PRO 14 HG1 PRO 14 -16.390 -3.859 -4.887 96 HG3 PRO 14 HG2 PRO 14 -17.534 -5.246 -4.786 97 HD2 PRO 14 HD1 PRO 14 -18.064 -2.925 -3.497 98 HD3 PRO 14 HD2 PRO 14 -18.383 -4.493 -2.695 99 H ASN 15 H ASN 15 -15.012 -2.270 -3.800 100 HA ASN 15 HA ASN 15 -12.171 -2.669 -3.927 101 HB2 ASN 15 HB1 ASN 15 -13.910 -0.415 -4.932 102 HB3 ASN 15 HB2 ASN 15 -12.196 -0.677 -5.323 103 HD21 ASN 15 HD21 ASN 15 -14.399 -0.556 -7.236 104 HD22 ASN 15 HD22 ASN 15 -14.351 -2.120 -8.039 105 H ALA 16 H ALA 16 -10.571 -1.547 -3.185 106 HA ALA 16 HA ALA 16 -10.889 0.196 -0.799 107 HB1 ALA 16 HB1 ALA 16 -11.440 -2.162 -0.175 108 HB2 ALA 16 HB2 ALA 16 -9.848 -2.671 -0.756 109 HB3 ALA 16 HB3 ALA 16 -9.980 -1.593 0.648 110 H ALA 17 H ALA 17 -8.526 -0.148 0.410 111 HA ALA 17 HA ALA 17 -6.315 0.091 -1.433 112 HB1 ALA 17 HB1 ALA 17 -7.114 2.412 -1.461 113 HB2 ALA 17 HB2 ALA 17 -7.088 2.478 0.318 114 HB3 ALA 17 HB3 ALA 17 -5.582 2.301 -0.571 115 H ALA 18 H ALA 18 -4.220 0.014 -0.190 116 HA ALA 18 HA ALA 18 -4.508 -0.851 2.663 117 HB1 ALA 18 HB1 ALA 18 -3.094 -2.450 0.490 118 HB2 ALA 18 HB2 ALA 18 -3.204 -2.865 2.210 119 HB3 ALA 18 HB3 ALA 18 -4.671 -2.858 1.217 120 H TYR 19 H TYR 19 -2.812 -0.626 3.975 121 HA TYR 19 HA TYR 19 -0.587 1.165 3.074 122 HB2 TYR 19 HB1 TYR 19 -2.151 1.169 5.677 123 HB3 TYR 19 HB2 TYR 19 -0.983 2.380 5.143 124 HD1 TYR 19 HD1 TYR 19 -1.764 3.331 2.609 125 HD2 TYR 19 HD2 TYR 19 -4.286 1.990 5.836 126 HE1 TYR 19 HE1 TYR 19 -3.533 4.968 1.929 127 HE2 TYR 19 HE2 TYR 19 -6.049 3.577 5.138 128 HH TYR 19 HH TYR 19 -5.480 5.955 2.522 129 H LEU 20 H LEU 20 0.696 -0.951 2.936 130 HA LEU 20 HA LEU 20 1.027 -2.429 5.381 131 HB2 LEU 20 HB1 LEU 20 2.558 -3.825 4.231 132 HB3 LEU 20 HB2 LEU 20 1.120 -3.503 3.239 133 HG LEU 20 HG LEU 20 2.583 -1.812 1.969 134 HD11 LEU 20 HD11 LEU 20 4.522 -1.507 3.397 135 HD12 LEU 20 HD12 LEU 20 5.056 -2.386 1.980 136 HD13 LEU 20 HD13 LEU 20 4.784 -3.264 3.500 137 HD21 LEU 20 HD21 LEU 20 3.615 -3.660 0.640 138 HD22 LEU 20 HD22 LEU 20 1.926 -3.972 1.063 139 HD23 LEU 20 HD23 LEU 20 3.227 -4.790 1.957 140 H THR 21 H THR 21 3.054 -2.956 6.451 141 HA THR 21 HA THR 21 5.231 -0.985 6.148 142 HB THR 21 HB THR 21 4.405 -2.186 8.816 143 HG1 THR 21 HG1 THR 21 3.443 -0.330 8.966 144 HG21 THR 21 HG21 THR 21 6.304 -0.642 9.621 145 HG22 THR 21 HG22 THR 21 6.875 -0.614 7.942 146 HG23 THR 21 HG23 THR 21 6.805 -2.144 8.834 147 H LEU 22 H LEU 22 7.148 -1.794 5.912 148 HA LEU 22 HA LEU 22 7.904 -4.558 6.435 149 HB2 LEU 22 HB1 LEU 22 7.037 -3.729 3.805 150 HB3 LEU 22 HB2 LEU 22 8.798 -3.993 3.738 151 HG LEU 22 HG LEU 22 7.789 -5.938 2.995 152 HD11 LEU 22 HD11 LEU 22 8.643 -7.639 4.490 153 HD12 LEU 22 HD12 LEU 22 8.675 -6.508 5.848 154 HD13 LEU 22 HD13 LEU 22 9.748 -6.254 4.454 155 HD21 LEU 22 HD21 LEU 22 5.525 -5.525 4.067 156 HD22 LEU 22 HD22 LEU 22 6.178 -6.305 5.527 157 HD23 LEU 22 HD23 LEU 22 6.079 -7.197 3.995 158 H GLU 23 H GLU 23 10.427 -4.629 5.460 159 HA GLU 23 HA GLU 23 11.707 -1.983 5.689 160 HB2 GLU 23 HB1 GLU 23 12.606 -4.349 7.363 161 HB3 GLU 23 HB2 GLU 23 13.443 -2.778 7.187 162 HG2 GLU 23 HG1 GLU 23 11.209 -1.757 8.011 163 HG3 GLU 23 HG2 GLU 23 10.837 -3.375 8.607 164 H ASN 24 H ASN 24 13.795 -1.884 4.856 165 HA ASN 24 HA ASN 24 14.685 -4.088 3.049 166 HB2 ASN 24 HB1 ASN 24 14.296 -1.845 1.988 167 HB3 ASN 24 HB2 ASN 24 15.497 -1.137 3.085 168 HD21 ASN 24 HD21 ASN 24 16.601 -0.588 0.972 169 HD22 ASN 24 HD22 ASN 24 17.661 -1.841 0.309 170 HA PRO 25 HA PRO 25 17.665 -4.100 6.550 171 HB2 PRO 25 HB1 PRO 25 18.070 -6.792 6.770 172 HB3 PRO 25 HB2 PRO 25 16.572 -6.016 7.367 173 HG2 PRO 25 HG1 PRO 25 17.010 -7.336 4.663 174 HG3 PRO 25 HG2 PRO 25 15.707 -7.692 5.848 175 HD2 PRO 25 HD1 PRO 25 15.301 -5.976 3.782 176 HD3 PRO 25 HD2 PRO 25 14.640 -5.623 5.409 177 H GLY 26 H GLY 26 18.078 -4.649 3.216 178 HA2 GLY 26 HA3 GLY 26 20.785 -5.750 3.393 179 HA3 GLY 26 HA2 GLY 26 19.832 -5.433 1.926 180 H ASP 27 H ASP 27 22.460 -4.740 2.304 181 HA ASP 27 HA ASP 27 22.777 -1.850 2.639 182 HB2 ASP 27 HB1 ASP 27 24.521 -4.269 2.128 183 HB3 ASP 27 HB2 ASP 27 25.120 -2.613 1.987 184 H LEU 28 H LEU 28 21.305 -3.409 0.494 185 HA LEU 28 HA LEU 28 22.132 -1.867 -1.882 186 HB2 LEU 28 HB1 LEU 28 21.331 -3.697 -3.300 187 HB3 LEU 28 HB2 LEU 28 22.641 -4.182 -2.173 188 HG LEU 28 HG LEU 28 20.652 -5.110 -0.710 189 HD11 LEU 28 HD11 LEU 28 18.777 -6.009 -2.061 190 HD12 LEU 28 HD12 LEU 28 19.362 -5.115 -3.485 191 HD13 LEU 28 HD13 LEU 28 18.749 -4.254 -2.063 192 HD21 LEU 28 HD21 LEU 28 20.828 -7.278 -1.870 193 HD22 LEU 28 HD22 LEU 28 22.404 -6.488 -1.757 194 HD23 LEU 28 HD23 LEU 28 21.519 -6.471 -3.299 195 HA PRO 29 HA PRO 29 18.125 -0.147 -1.375 196 HB2 PRO 29 HB1 PRO 29 17.543 0.916 -3.807 197 HB3 PRO 29 HB2 PRO 29 18.918 1.495 -2.819 198 HG2 PRO 29 HG1 PRO 29 18.966 -0.439 -5.139 199 HG3 PRO 29 HG2 PRO 29 20.086 0.928 -4.804 200 HD2 PRO 29 HD1 PRO 29 20.598 -1.738 -4.177 201 HD3 PRO 29 HD2 PRO 29 21.324 -0.388 -3.282 202 H LEU 30 H LEU 30 15.869 -0.381 -1.723 203 HA LEU 30 HA LEU 30 15.017 -2.565 -3.550 204 HB2 LEU 30 HB1 LEU 30 13.895 -1.770 -0.853 205 HB3 LEU 30 HB2 LEU 30 12.902 -2.632 -2.043 206 HG LEU 30 HG LEU 30 15.544 -3.607 -1.000 207 HD11 LEU 30 HD11 LEU 30 12.734 -4.605 -0.269 208 HD12 LEU 30 HD12 LEU 30 13.661 -3.513 0.756 209 HD13 LEU 30 HD13 LEU 30 14.267 -5.147 0.449 210 HD21 LEU 30 HD21 LEU 30 13.428 -5.045 -2.607 211 HD22 LEU 30 HD22 LEU 30 14.830 -5.825 -1.849 212 HD23 LEU 30 HD23 LEU 30 15.078 -4.642 -3.137 213 H ARG 31 H ARG 31 13.314 -2.356 -4.614 214 HA ARG 31 HA ARG 31 12.063 0.341 -5.008 215 HB2 ARG 31 HB1 ARG 31 13.945 0.077 -6.623 216 HB3 ARG 31 HB2 ARG 31 13.128 -1.337 -7.312 217 HG2 ARG 31 HG1 ARG 31 11.275 -0.008 -8.069 218 HG3 ARG 31 HG2 ARG 31 11.783 1.389 -7.089 219 HD2 ARG 31 HD1 ARG 31 13.320 0.287 -9.475 220 HD3 ARG 31 HD2 ARG 31 12.253 1.715 -9.486 221 HE ARG 31 HE ARG 31 13.961 2.211 -7.399 222 HH11 ARG 31 HH12 ARG 31 14.736 1.559 -10.781 223 HH12 ARG 31 HH11 ARG 31 16.362 2.178 -10.585 224 HH21 ARG 31 HH22 ARG 31 15.926 3.011 -7.216 225 HH22 ARG 31 HH21 ARG 31 17.009 3.070 -8.573 226 H LEU 32 H LEU 32 10.001 -0.047 -4.534 227 HA LEU 32 HA LEU 32 8.787 -2.727 -4.879 228 HB2 LEU 32 HB1 LEU 32 8.630 -1.573 -2.780 229 HB3 LEU 32 HB2 LEU 32 7.971 -0.125 -3.533 230 HG LEU 32 HG LEU 32 6.370 -1.413 -2.219 231 HD11 LEU 32 HD11 LEU 32 5.729 -0.000 -4.277 232 HD12 LEU 32 HD12 LEU 32 4.528 -1.067 -3.589 233 HD13 LEU 32 HD13 LEU 32 5.377 -1.559 -5.067 234 HD21 LEU 32 HD21 LEU 32 6.589 -3.590 -4.322 235 HD22 LEU 32 HD22 LEU 32 5.529 -3.584 -2.901 236 HD23 LEU 32 HD23 LEU 32 7.280 -3.675 -2.690 237 H VAL 33 H VAL 33 7.903 -3.177 -6.796 238 HA VAL 33 HA VAL 33 7.048 -0.914 -8.595 239 HB VAL 33 HB VAL 33 7.424 -2.435 -10.480 240 HG11 VAL 33 HG11 VAL 33 9.276 -0.957 -9.765 241 HG12 VAL 33 HG12 VAL 33 9.886 -2.228 -8.693 242 HG13 VAL 33 HG13 VAL 33 9.877 -2.470 -10.447 243 HG21 VAL 33 HG21 VAL 33 8.692 -4.412 -8.538 244 HG22 VAL 33 HG22 VAL 33 7.113 -4.654 -9.324 245 HG23 VAL 33 HG23 VAL 33 8.581 -4.550 -10.295 246 H GLY 34 H GLY 34 5.938 -3.731 -6.879 247 HA2 GLY 34 HA3 GLY 34 3.215 -3.525 -7.879 248 HA3 GLY 34 HA2 GLY 34 4.076 -5.006 -8.355 249 H ALA 35 H ALA 35 2.031 -5.665 -7.109 250 HA ALA 35 HA ALA 35 3.033 -6.946 -4.751 251 HB1 ALA 35 HB1 ALA 35 2.230 -5.040 -3.567 252 HB2 ALA 35 HB2 ALA 35 0.704 -4.996 -4.481 253 HB3 ALA 35 HB3 ALA 35 1.023 -6.285 -3.303 254 H ARG 36 H ARG 36 1.194 -8.383 -3.831 255 HA ARG 36 HA ARG 36 -1.015 -9.037 -5.626 256 HB2 ARG 36 HB1 ARG 36 0.679 -11.349 -4.649 257 HB3 ARG 36 HB2 ARG 36 -0.681 -11.375 -5.793 258 HG2 ARG 36 HG1 ARG 36 0.770 -10.074 -7.394 259 HG3 ARG 36 HG2 ARG 36 2.137 -10.321 -6.296 260 HD2 ARG 36 HD1 ARG 36 0.508 -12.505 -7.644 261 HD3 ARG 36 HD2 ARG 36 2.122 -11.942 -8.137 262 HE ARG 36 HE ARG 36 2.572 -12.712 -5.549 263 HH11 ARG 36 HH12 ARG 36 1.162 -14.426 -8.311 264 HH12 ARG 36 HH11 ARG 36 1.695 -15.972 -7.704 265 HH21 ARG 36 HH22 ARG 36 3.195 -14.599 -4.864 266 HH22 ARG 36 HH21 ARG 36 2.940 -16.082 -5.781 267 H THR 37 H THR 37 -2.433 -10.726 -4.435 268 HA THR 37 HA THR 37 -2.210 -11.269 -1.645 269 HB THR 37 HB THR 37 -2.754 -9.050 -1.166 270 HG1 THR 37 HG1 THR 37 -3.934 -10.111 0.126 271 HG21 THR 37 HG21 THR 37 -3.626 -8.173 -3.298 272 HG22 THR 37 HG22 THR 37 -4.802 -7.890 -2.010 273 HG23 THR 37 HG23 THR 37 -5.059 -9.217 -3.159 274 HA PRO 38 HA PRO 38 -5.135 -14.202 -3.349 275 HB2 PRO 38 HB1 PRO 38 -6.151 -15.415 -1.133 276 HB3 PRO 38 HB2 PRO 38 -4.449 -15.583 -1.690 277 HG2 PRO 38 HG1 PRO 38 -5.501 -13.765 0.470 278 HG3 PRO 38 HG2 PRO 38 -4.094 -14.886 0.549 279 HD2 PRO 38 HD1 PRO 38 -3.869 -12.207 -0.032 280 HD3 PRO 38 HD2 PRO 38 -2.756 -13.395 -0.729 281 H VAL 39 H VAL 39 -6.090 -11.487 -1.646 282 HA VAL 39 HA VAL 39 -8.937 -11.830 -2.547 283 HB VAL 39 HB VAL 39 -9.647 -10.324 -0.727 284 HG11 VAL 39 HG11 VAL 39 -8.309 -12.891 0.202 285 HG12 VAL 39 HG12 VAL 39 -9.615 -12.017 1.022 286 HG13 VAL 39 HG13 VAL 39 -9.906 -12.753 -0.564 287 HG21 VAL 39 HG21 VAL 39 -8.232 -9.959 1.239 288 HG22 VAL 39 HG22 VAL 39 -6.879 -10.817 0.478 289 HG23 VAL 39 HG23 VAL 39 -7.422 -9.256 -0.169 290 H ALA 40 H ALA 40 -7.413 -11.041 -4.479 291 HA ALA 40 HA ALA 40 -8.948 -8.664 -5.136 292 HB1 ALA 40 HB1 ALA 40 -7.078 -7.281 -5.908 293 HB2 ALA 40 HB2 ALA 40 -6.896 -7.604 -4.185 294 HB3 ALA 40 HB3 ALA 40 -5.907 -8.497 -5.365 295 H GLU 41 H GLU 41 -8.610 -8.070 -7.435 296 HA GLU 41 HA GLU 41 -7.699 -10.285 -9.234 297 HB2 GLU 41 HB1 GLU 41 -10.218 -9.551 -9.213 298 HB3 GLU 41 HB2 GLU 41 -9.652 -8.105 -10.063 299 HG2 GLU 41 HG1 GLU 41 -10.306 -9.593 -11.780 300 HG3 GLU 41 HG2 GLU 41 -8.547 -9.754 -11.746 301 H ARG 42 H ARG 42 -8.113 -6.720 -8.952 302 HA ARG 42 HA ARG 42 -5.409 -6.323 -10.165 303 HB2 ARG 42 HB1 ARG 42 -7.819 -4.527 -9.988 304 HB3 ARG 42 HB2 ARG 42 -6.173 -3.829 -9.927 305 HG2 ARG 42 HG1 ARG 42 -5.706 -5.086 -12.098 306 HG3 ARG 42 HG2 ARG 42 -7.453 -5.380 -12.200 307 HD2 ARG 42 HD1 ARG 42 -7.863 -2.928 -12.044 308 HD3 ARG 42 HD2 ARG 42 -6.107 -2.654 -11.899 309 HE ARG 42 HE ARG 42 -6.741 -4.120 -14.289 310 HH11 ARG 42 HH12 ARG 42 -6.766 -0.824 -12.942 311 HH12 ARG 42 HH11 ARG 42 -6.666 -0.078 -14.490 312 HH21 ARG 42 HH22 ARG 42 -6.524 -3.068 -16.291 313 HH22 ARG 42 HH21 ARG 42 -6.524 -1.326 -16.352 314 H VAL 43 H VAL 43 -3.919 -5.884 -8.840 315 HA VAL 43 HA VAL 43 -4.522 -4.062 -6.582 316 HB VAL 43 HB VAL 43 -2.939 -6.010 -6.036 317 HG11 VAL 43 HG11 VAL 43 -0.921 -4.290 -7.559 318 HG12 VAL 43 HG12 VAL 43 -0.562 -5.643 -6.503 319 HG13 VAL 43 HG13 VAL 43 -1.456 -5.929 -8.010 320 HG21 VAL 43 HG21 VAL 43 -2.029 -3.171 -5.493 321 HG22 VAL 43 HG22 VAL 43 -3.297 -4.052 -4.613 322 HG23 VAL 43 HG23 VAL 43 -1.624 -4.615 -4.542 323 H GLU 44 H GLU 44 -3.562 -1.972 -6.784 324 HA GLU 44 HA GLU 44 -1.963 -1.301 -9.204 325 HB2 GLU 44 HB1 GLU 44 -4.399 0.229 -8.192 326 HB3 GLU 44 HB2 GLU 44 -3.186 0.894 -9.318 327 HG2 GLU 44 HG1 GLU 44 -3.746 -0.783 -10.982 328 HG3 GLU 44 HG2 GLU 44 -4.875 -1.562 -9.857 329 H LEU 45 H LEU 45 -0.612 0.578 -8.827 330 HA LEU 45 HA LEU 45 -0.088 1.037 -5.912 331 HB2 LEU 45 HB1 LEU 45 1.618 -0.244 -7.097 332 HB3 LEU 45 HB2 LEU 45 1.774 1.043 -8.314 333 HG LEU 45 HG LEU 45 2.636 2.575 -6.590 334 HD11 LEU 45 HD11 LEU 45 2.472 0.206 -4.682 335 HD12 LEU 45 HD12 LEU 45 1.543 1.719 -4.554 336 HD13 LEU 45 HD13 LEU 45 3.294 1.740 -4.358 337 HD21 LEU 45 HD21 LEU 45 4.807 1.429 -6.301 338 HD22 LEU 45 HD22 LEU 45 4.144 1.129 -7.920 339 HD23 LEU 45 HD23 LEU 45 4.045 -0.134 -6.677 340 H HIS 46 H HIS 46 -0.639 2.957 -5.166 341 HA HIS 46 HA HIS 46 -0.676 5.322 -7.000 342 HB2 HIS 46 HB1 HIS 46 -2.560 4.475 -4.793 343 HB3 HIS 46 HB2 HIS 46 -2.638 6.035 -5.615 344 HD2 HIS 46 HD2 HIS 46 -2.206 3.682 -8.402 345 HE1 HIS 46 HE1 HIS 46 -6.369 3.489 -7.551 346 HE2 HIS 46 HE2 HIS 46 -4.581 2.863 -9.284 347 H GLU 47 H GLU 47 -0.304 7.236 -6.278 348 HA GLU 47 HA GLU 47 1.021 7.757 -3.660 349 HB2 GLU 47 HB1 GLU 47 1.706 9.860 -4.521 350 HB3 GLU 47 HB2 GLU 47 2.035 8.618 -5.756 351 HG2 GLU 47 HG1 GLU 47 0.043 9.311 -6.993 352 HG3 GLU 47 HG2 GLU 47 -0.363 10.511 -5.771 353 H THR 48 H THR 48 0.324 9.782 -2.474 354 HA THR 48 HA THR 48 -2.475 10.711 -2.933 355 HB THR 48 HB THR 48 -1.365 9.468 -0.374 356 HG1 THR 48 HG1 THR 48 -2.492 8.563 -2.451 357 HG21 THR 48 HG21 THR 48 -2.778 11.381 0.283 358 HG22 THR 48 HG22 THR 48 -3.657 9.869 0.563 359 HG23 THR 48 HG23 THR 48 -4.047 10.868 -0.857 360 H PHE 49 H PHE 49 -2.700 12.871 -2.196 361 HA PHE 49 HA PHE 49 -0.381 14.187 -0.953 362 HB2 PHE 49 HB1 PHE 49 -0.036 15.664 -2.932 363 HB3 PHE 49 HB2 PHE 49 0.460 13.989 -3.157 364 HD1 PHE 49 HD2 PHE 49 -2.260 16.428 -3.849 365 HD2 PHE 49 HD1 PHE 49 -0.426 12.723 -5.095 366 HE1 PHE 49 HE2 PHE 49 -3.649 16.421 -5.911 367 HE2 PHE 49 HE1 PHE 49 -1.783 12.727 -7.103 368 HZ PHE 49 HZ PHE 49 -3.387 14.590 -7.570 369 H MET 50 H MET 50 -0.555 16.475 -0.775 370 HA MET 50 HA MET 50 -3.313 17.566 -0.614 371 HB2 MET 50 HB1 MET 50 -1.969 17.813 1.427 372 HB3 MET 50 HB2 MET 50 -0.673 18.610 0.512 373 HG2 MET 50 HG1 MET 50 -2.111 20.460 -0.044 374 HG3 MET 50 HG2 MET 50 -3.533 19.610 0.588 375 HE1 MET 50 HE1 MET 50 -0.474 22.122 2.844 376 HE2 MET 50 HE2 MET 50 0.139 20.679 2.014 377 HE3 MET 50 HE3 MET 50 -0.692 21.956 1.087 378 H ARG 51 H ARG 51 -3.794 19.420 -1.790 379 HA ARG 51 HA ARG 51 -2.015 20.371 -3.946 380 HB2 ARG 51 HB1 ARG 51 -3.368 18.176 -4.442 381 HB3 ARG 51 HB2 ARG 51 -4.759 19.234 -4.594 382 HG2 ARG 51 HG1 ARG 51 -2.391 20.130 -6.135 383 HG3 ARG 51 HG2 ARG 51 -2.978 18.514 -6.608 384 HD2 ARG 51 HD1 ARG 51 -4.876 19.307 -7.542 385 HD3 ARG 51 HD2 ARG 51 -5.078 20.598 -6.332 386 HE ARG 51 HE ARG 51 -4.218 22.035 -7.789 387 HH11 ARG 51 HH12 ARG 51 -2.698 18.966 -8.704 388 HH12 ARG 51 HH11 ARG 51 -1.867 19.686 -10.057 389 HH21 ARG 51 HH22 ARG 51 -3.139 22.883 -9.443 390 HH22 ARG 51 HH21 ARG 51 -2.089 21.934 -10.454 391 H GLU 52 H GLU 52 -3.105 22.214 -5.184 392 HA GLU 52 HA GLU 52 -5.079 23.727 -3.582 393 HB2 GLU 52 HB1 GLU 52 -2.691 24.488 -3.690 394 HB3 GLU 52 HB2 GLU 52 -2.809 24.520 -5.466 395 HG2 GLU 52 HG1 GLU 52 -3.187 26.720 -4.958 396 HG3 GLU 52 HG2 GLU 52 -4.849 26.167 -5.004 397 H VAL 53 H VAL 53 -6.959 24.282 -4.677 398 HA VAL 53 HA VAL 53 -6.706 24.855 -7.595 399 HB VAL 53 HB VAL 53 -9.139 23.399 -6.471 400 HG11 VAL 53 HG11 VAL 53 -9.788 23.236 -8.873 401 HG12 VAL 53 HG12 VAL 53 -9.624 24.922 -8.384 402 HG13 VAL 53 HG13 VAL 53 -8.338 24.157 -9.333 403 HG21 VAL 53 HG21 VAL 53 -6.943 22.317 -8.303 404 HG22 VAL 53 HG22 VAL 53 -7.251 21.799 -6.634 405 HG23 VAL 53 HG23 VAL 53 -8.451 21.479 -7.884 406 H GLU 54 H GLU 54 -7.256 26.872 -7.945 407 HA GLU 54 HA GLU 54 -7.975 29.010 -7.730 408 HB2 GLU 54 HB1 GLU 54 -10.236 27.927 -6.046 409 HB3 GLU 54 HB2 GLU 54 -10.186 29.510 -6.848 410 HG2 GLU 54 HG1 GLU 54 -10.859 28.678 -8.840 411 HG3 GLU 54 HG2 GLU 54 -9.974 27.154 -8.663 412 H GLY 55 H GLY 55 -6.081 27.961 -5.628 413 HA2 GLY 55 HA3 GLY 55 -5.073 28.895 -3.730 414 HA3 GLY 55 HA2 GLY 55 -6.367 30.112 -3.655 415 H LYS 56 H LYS 56 -7.471 26.889 -3.870 416 HA LYS 56 HA LYS 56 -8.162 26.802 -0.972 417 HB2 LYS 56 HB1 LYS 56 -9.822 25.658 -3.235 418 HB3 LYS 56 HB2 LYS 56 -10.198 25.646 -1.490 419 HG2 LYS 56 HG1 LYS 56 -10.311 28.112 -1.512 420 HG3 LYS 56 HG2 LYS 56 -10.009 28.144 -3.250 421 HD2 LYS 56 HD1 LYS 56 -12.319 26.521 -2.190 422 HD3 LYS 56 HD2 LYS 56 -12.442 28.311 -2.272 423 HE2 LYS 56 HE1 LYS 56 -13.457 27.407 -4.227 424 HE3 LYS 56 HE2 LYS 56 -11.959 28.226 -4.697 425 HZ1 LYS 56 HZ1 LYS 56 -10.926 26.065 -4.923 426 HZ2 LYS 56 HZ2 LYS 56 -12.245 26.176 -5.848 427 HZ3 LYS 56 HZ3 LYS 56 -12.327 25.291 -4.470 428 H LYS 57 H LYS 57 -6.984 25.415 -0.023 429 HA LYS 57 HA LYS 57 -5.546 23.222 -0.933 430 HB2 LYS 57 HB1 LYS 57 -6.579 24.239 1.677 431 HB3 LYS 57 HB2 LYS 57 -6.022 22.543 1.642 432 HG2 LYS 57 HG1 LYS 57 -4.348 24.139 2.473 433 HG3 LYS 57 HG2 LYS 57 -3.852 23.142 1.076 434 HD2 LYS 57 HD1 LYS 57 -2.929 25.404 1.033 435 HD3 LYS 57 HD2 LYS 57 -3.903 24.981 -0.379 436 HE2 LYS 57 HE1 LYS 57 -5.818 26.263 0.802 437 HE3 LYS 57 HE2 LYS 57 -4.597 26.861 1.928 438 HZ1 LYS 57 HZ1 LYS 57 -3.481 27.933 0.064 439 HZ2 LYS 57 HZ2 LYS 57 -5.088 28.279 -0.147 440 HZ3 LYS 57 HZ3 LYS 57 -4.360 27.134 -1.021 441 H VAL 58 H VAL 58 -6.050 21.321 -1.504 442 HA VAL 58 HA VAL 58 -8.413 19.785 -0.642 443 HB VAL 58 HB VAL 58 -9.247 21.228 -2.482 444 HG11 VAL 58 HG11 VAL 58 -7.268 19.792 -4.305 445 HG12 VAL 58 HG12 VAL 58 -8.520 20.950 -4.787 446 HG13 VAL 58 HG13 VAL 58 -7.157 21.492 -3.798 447 HG21 VAL 58 HG21 VAL 58 -10.347 19.523 -3.785 448 HG22 VAL 58 HG22 VAL 58 -9.125 18.317 -3.352 449 HG23 VAL 58 HG23 VAL 58 -10.214 18.970 -2.107 450 H MET 59 H MET 59 -8.208 17.525 -1.039 451 HA MET 59 HA MET 59 -5.387 16.704 -1.444 452 HB2 MET 59 HB1 MET 59 -7.743 15.296 -0.165 453 HB3 MET 59 HB2 MET 59 -6.092 14.625 -0.327 454 HG2 MET 59 HG1 MET 59 -6.122 15.467 1.831 455 HG3 MET 59 HG2 MET 59 -5.271 16.696 0.917 456 HE1 MET 59 HE1 MET 59 -5.718 18.993 0.918 457 HE2 MET 59 HE2 MET 59 -6.907 19.815 1.954 458 HE3 MET 59 HE3 MET 59 -5.638 18.809 2.693 459 H GLY 60 H GLY 60 -4.908 14.657 -2.489 460 HA2 GLY 60 HA3 GLY 60 -6.742 13.748 -4.588 461 HA3 GLY 60 HA2 GLY 60 -5.296 14.615 -5.157 462 H MET 61 H MET 61 -5.429 12.341 -6.196 463 HA MET 61 HA MET 61 -3.366 10.593 -5.109 464 HB2 MET 61 HB1 MET 61 -5.232 9.710 -3.892 465 HB3 MET 61 HB2 MET 61 -6.318 9.923 -5.281 466 HG2 MET 61 HG1 MET 61 -4.891 8.142 -6.431 467 HG3 MET 61 HG2 MET 61 -4.213 7.814 -4.851 468 HE1 MET 61 HE1 MET 61 -7.806 8.667 -3.941 469 HE2 MET 61 HE2 MET 61 -8.070 7.031 -3.285 470 HE3 MET 61 HE3 MET 61 -6.588 7.929 -2.858 471 H ARG 62 H ARG 62 -2.516 9.258 -6.633 472 HA ARG 62 HA ARG 62 -3.548 9.192 -9.398 473 HB2 ARG 62 HB1 ARG 62 -1.001 10.531 -8.473 474 HB3 ARG 62 HB2 ARG 62 -1.078 9.790 -10.078 475 HG2 ARG 62 HG1 ARG 62 -3.159 11.309 -10.431 476 HG3 ARG 62 HG2 ARG 62 -2.562 12.202 -9.023 477 HD2 ARG 62 HD1 ARG 62 -1.256 11.822 -11.728 478 HD3 ARG 62 HD2 ARG 62 -1.609 13.334 -10.872 479 HE ARG 62 HE ARG 62 0.195 12.515 -9.200 480 HH11 ARG 62 HH12 ARG 62 0.450 11.372 -12.551 481 HH12 ARG 62 HH11 ARG 62 2.057 10.763 -12.236 482 HH21 ARG 62 HH22 ARG 62 2.163 11.714 -8.935 483 HH22 ARG 62 HH21 ARG 62 3.037 11.026 -10.236 484 HA PRO 63 HA PRO 63 -1.196 5.327 -9.018 485 HB2 PRO 63 HB1 PRO 63 -1.022 4.442 -11.551 486 HB3 PRO 63 HB2 PRO 63 -2.597 4.504 -10.707 487 HG2 PRO 63 HG1 PRO 63 -1.435 6.555 -12.617 488 HG3 PRO 63 HG2 PRO 63 -3.080 5.822 -12.646 489 HD2 PRO 63 HD1 PRO 63 -2.542 8.271 -11.484 490 HD3 PRO 63 HD2 PRO 63 -3.799 7.164 -10.857 491 H VAL 64 H VAL 64 0.920 4.544 -9.329 492 HA VAL 64 HA VAL 64 2.864 6.329 -10.698 493 HB VAL 64 HB VAL 64 4.386 6.268 -8.750 494 HG11 VAL 64 HG11 VAL 64 2.923 8.226 -9.226 495 HG12 VAL 64 HG12 VAL 64 1.747 7.592 -8.049 496 HG13 VAL 64 HG13 VAL 64 3.384 8.057 -7.528 497 HG21 VAL 64 HG21 VAL 64 3.550 5.790 -6.486 498 HG22 VAL 64 HG22 VAL 64 2.035 5.170 -7.166 499 HG23 VAL 64 HG23 VAL 64 3.582 4.351 -7.508 500 HA PRO 65 HA PRO 65 4.425 2.541 -12.106 501 HB2 PRO 65 HB1 PRO 65 6.968 3.043 -12.832 502 HB3 PRO 65 HB2 PRO 65 5.580 3.889 -13.588 503 HG2 PRO 65 HG1 PRO 65 7.358 4.879 -11.343 504 HG3 PRO 65 HG2 PRO 65 6.876 5.752 -12.841 505 HD2 PRO 65 HD1 PRO 65 5.583 6.083 -10.439 506 HD3 PRO 65 HD2 PRO 65 4.723 6.163 -11.994 507 H PHE 66 H PHE 66 6.091 3.856 -9.337 508 HA PHE 66 HA PHE 66 6.384 1.354 -8.019 509 HB2 PHE 66 HB1 PHE 66 8.789 1.126 -7.970 510 HB3 PHE 66 HB2 PHE 66 8.177 0.954 -9.613 511 HD1 PHE 66 HD2 PHE 66 10.086 3.063 -7.298 512 HD2 PHE 66 HD1 PHE 66 8.683 2.591 -11.320 513 HE1 PHE 66 HE2 PHE 66 11.577 4.897 -7.972 514 HE2 PHE 66 HE1 PHE 66 10.280 4.387 -12.075 515 HZ PHE 66 HZ PHE 66 11.716 5.550 -10.401 516 H LEU 67 H LEU 67 7.764 1.629 -6.017 517 HA LEU 67 HA LEU 67 8.148 4.440 -5.090 518 HB2 LEU 67 HB1 LEU 67 7.728 2.038 -3.283 519 HB3 LEU 67 HB2 LEU 67 7.815 3.737 -2.804 520 HG LEU 67 HG LEU 67 5.543 2.345 -4.272 521 HD11 LEU 67 HD11 LEU 67 5.823 3.527 -1.482 522 HD12 LEU 67 HD12 LEU 67 5.796 1.799 -1.886 523 HD13 LEU 67 HD13 LEU 67 4.340 2.784 -2.146 524 HD21 LEU 67 HD21 LEU 67 5.692 4.707 -5.033 525 HD22 LEU 67 HD22 LEU 67 5.722 5.238 -3.343 526 HD23 LEU 67 HD23 LEU 67 4.281 4.421 -4.017 527 H GLU 68 H GLU 68 10.027 4.669 -3.702 528 HA GLU 68 HA GLU 68 12.190 2.658 -4.249 529 HB2 GLU 68 HB1 GLU 68 12.482 4.787 -5.509 530 HB3 GLU 68 HB2 GLU 68 12.425 5.683 -3.973 531 HG2 GLU 68 HG1 GLU 68 14.699 5.541 -4.482 532 HG3 GLU 68 HG2 GLU 68 14.487 4.296 -3.261 533 H VAL 69 H VAL 69 13.332 1.951 -2.476 534 HA VAL 69 HA VAL 69 13.366 3.704 -0.109 535 HB VAL 69 HB VAL 69 12.851 0.693 0.073 536 HG11 VAL 69 HG11 VAL 69 12.718 1.054 2.537 537 HG12 VAL 69 HG12 VAL 69 14.322 1.394 1.926 538 HG13 VAL 69 HG13 VAL 69 13.226 2.734 2.323 539 HG21 VAL 69 HG21 VAL 69 10.740 1.460 1.271 540 HG22 VAL 69 HG22 VAL 69 11.118 3.113 0.790 541 HG23 VAL 69 HG23 VAL 69 10.773 1.871 -0.441 542 HA PRO 70 HA PRO 70 17.704 2.883 -0.755 543 HB2 PRO 70 HB1 PRO 70 18.775 4.190 1.399 544 HB3 PRO 70 HB2 PRO 70 18.046 5.049 0.007 545 HG2 PRO 70 HG1 PRO 70 16.725 4.340 2.645 546 HG3 PRO 70 HG2 PRO 70 16.768 5.943 1.828 547 HD2 PRO 70 HD1 PRO 70 14.643 4.279 1.549 548 HD3 PRO 70 HD2 PRO 70 15.248 5.224 0.158 549 HA PRO 71 HA PRO 71 18.953 -0.582 1.795 550 HB2 PRO 71 HB1 PRO 71 21.559 0.031 2.534 551 HB3 PRO 71 HB2 PRO 71 21.002 -0.704 0.996 552 HG2 PRO 71 HG1 PRO 71 21.701 2.162 1.532 553 HG3 PRO 71 HG2 PRO 71 22.082 1.130 0.093 554 HD2 PRO 71 HD1 PRO 71 20.015 2.924 0.099 555 HD3 PRO 71 HD2 PRO 71 19.911 1.352 -0.745 556 H LYS 72 H LYS 72 18.912 -1.276 3.876 557 HA LYS 72 HA LYS 72 18.508 -1.268 6.090 558 HB2 LYS 72 HB1 LYS 72 20.289 1.166 6.246 559 HB3 LYS 72 HB2 LYS 72 20.007 -0.046 7.507 560 HG2 LYS 72 HG1 LYS 72 21.388 -0.535 4.838 561 HG3 LYS 72 HG2 LYS 72 22.184 -0.258 6.387 562 HD2 LYS 72 HD1 LYS 72 20.226 -2.474 6.420 563 HD3 LYS 72 HD2 LYS 72 21.538 -2.734 5.254 564 HE2 LYS 72 HE1 LYS 72 22.124 -1.938 8.119 565 HE3 LYS 72 HE2 LYS 72 21.805 -3.637 7.665 566 HZ1 LYS 72 HZ1 LYS 72 23.879 -2.020 6.293 567 HZ2 LYS 72 HZ2 LYS 72 23.664 -3.575 6.182 568 HZ3 LYS 72 HZ3 LYS 72 24.222 -2.973 7.604 569 H GLY 73 H GLY 73 17.100 0.763 4.279 570 HA2 GLY 73 HA3 GLY 73 15.730 2.565 6.152 571 HA3 GLY 73 HA2 GLY 73 15.415 2.400 4.410 572 H ARG 74 H ARG 74 13.324 2.722 6.167 573 HA ARG 74 HA ARG 74 12.055 0.053 6.512 574 HB2 ARG 74 HB1 ARG 74 10.945 2.730 7.378 575 HB3 ARG 74 HB2 ARG 74 10.349 1.098 7.786 576 HG2 ARG 74 HG1 ARG 74 12.727 0.769 8.826 577 HG3 ARG 74 HG2 ARG 74 12.806 2.537 8.807 578 HD2 ARG 74 HD1 ARG 74 10.564 2.512 10.004 579 HD3 ARG 74 HD2 ARG 74 10.876 0.797 10.246 580 HE ARG 74 HE ARG 74 12.561 3.059 11.256 581 HH11 ARG 74 HH12 ARG 74 11.857 -0.387 11.542 582 HH12 ARG 74 HH11 ARG 74 12.478 -0.505 13.125 583 HH21 ARG 74 HH22 ARG 74 13.647 2.764 13.200 584 HH22 ARG 74 HH21 ARG 74 13.545 1.227 14.011 585 H VAL 75 H VAL 75 10.040 -0.379 5.572 586 HA VAL 75 HA VAL 75 9.358 1.163 3.098 587 HB VAL 75 HB VAL 75 9.108 -1.842 3.465 588 HG11 VAL 75 HG11 VAL 75 9.028 -0.151 0.925 589 HG12 VAL 75 HG12 VAL 75 8.868 -1.914 1.010 590 HG13 VAL 75 HG13 VAL 75 7.619 -0.881 1.702 591 HG21 VAL 75 HG21 VAL 75 11.311 -0.591 1.820 592 HG22 VAL 75 HG22 VAL 75 11.555 -1.213 3.457 593 HG23 VAL 75 HG23 VAL 75 11.026 -2.295 2.165 594 H GLU 76 H GLU 76 8.145 2.142 5.112 595 HA GLU 76 HA GLU 76 5.507 0.819 5.473 596 HB2 GLU 76 HB1 GLU 76 4.998 2.637 7.051 597 HB3 GLU 76 HB2 GLU 76 6.283 1.518 7.578 598 HG2 GLU 76 HG1 GLU 76 7.695 3.172 7.880 599 HG3 GLU 76 HG2 GLU 76 7.504 3.730 6.219 600 H LEU 77 H LEU 77 3.849 1.419 4.344 601 HA LEU 77 HA LEU 77 4.487 2.876 1.976 602 HB2 LEU 77 HB1 LEU 77 2.705 0.873 2.737 603 HB3 LEU 77 HB2 LEU 77 1.622 2.246 2.425 604 HG LEU 77 HG LEU 77 2.634 2.470 0.151 605 HD11 LEU 77 HD11 LEU 77 3.941 0.514 -0.756 606 HD12 LEU 77 HD12 LEU 77 4.095 -0.116 0.896 607 HD13 LEU 77 HD13 LEU 77 4.851 1.424 0.455 608 HD21 LEU 77 HD21 LEU 77 1.649 -0.373 0.600 609 HD22 LEU 77 HD22 LEU 77 1.389 0.673 -0.808 610 HD23 LEU 77 HD23 LEU 77 0.589 1.016 0.743 611 H LYS 78 H LYS 78 2.972 3.929 4.836 612 HA LYS 78 HA LYS 78 2.456 5.964 5.616 613 HB2 LYS 78 HB1 LYS 78 4.365 6.658 4.102 614 HB3 LYS 78 HB2 LYS 78 3.154 7.182 2.912 615 HG2 LYS 78 HG1 LYS 78 3.865 9.107 4.073 616 HG3 LYS 78 HG2 LYS 78 2.219 8.748 4.615 617 HD2 LYS 78 HD1 LYS 78 3.622 9.419 6.508 618 HD3 LYS 78 HD2 LYS 78 3.171 7.713 6.688 619 HE2 LYS 78 HE1 LYS 78 5.452 7.205 5.557 620 HE3 LYS 78 HE2 LYS 78 5.865 8.888 5.883 621 HZ1 LYS 78 HZ1 LYS 78 5.163 6.756 7.808 622 HZ2 LYS 78 HZ2 LYS 78 5.364 8.331 8.303 623 HZ3 LYS 78 HZ3 LYS 78 6.571 7.361 7.686 624 HA PRO 79 HA PRO 79 -1.702 5.476 3.853 625 HB2 PRO 79 HB1 PRO 79 -3.211 6.502 5.950 626 HB3 PRO 79 HB2 PRO 79 -2.592 4.825 5.859 627 HG2 PRO 79 HG1 PRO 79 -1.349 7.187 7.275 628 HG3 PRO 79 HG2 PRO 79 -1.591 5.514 7.894 629 HD2 PRO 79 HD1 PRO 79 0.811 6.310 6.905 630 HD3 PRO 79 HD2 PRO 79 0.177 4.678 6.544 631 H GLY 80 H GLY 80 -0.487 8.497 5.187 632 HA2 GLY 80 HA3 GLY 80 -2.299 10.131 3.574 633 HA3 GLY 80 HA2 GLY 80 -1.015 10.696 4.666 634 H GLY 81 H GLY 81 0.187 8.316 2.390 635 HA2 GLY 81 HA3 GLY 81 0.513 10.287 0.280 636 HA3 GLY 81 HA2 GLY 81 2.029 9.919 1.134 637 H TYR 82 H TYR 82 1.410 6.909 1.201 638 HA TYR 82 HA TYR 82 0.847 6.423 -1.654 639 HB2 TYR 82 HB1 TYR 82 3.267 5.197 -0.335 640 HB3 TYR 82 HB2 TYR 82 2.568 4.745 -1.903 641 HD1 TYR 82 HD2 TYR 82 2.710 6.246 -3.836 642 HD2 TYR 82 HD1 TYR 82 4.566 7.209 -0.075 643 HE1 TYR 82 HE2 TYR 82 4.076 7.951 -4.968 644 HE2 TYR 82 HE1 TYR 82 5.922 8.960 -1.188 645 HH TYR 82 HH TYR 82 6.473 9.953 -3.183 646 H HIS 83 H HIS 83 0.017 4.483 -2.217 647 HA HIS 83 HA HIS 83 -0.528 2.454 -0.196 648 HB2 HIS 83 HB1 HIS 83 -2.919 2.637 -0.115 649 HB3 HIS 83 HB2 HIS 83 -2.140 4.119 0.470 650 HD1 HIS 83 HD1 HIS 83 -2.436 6.329 -1.112 651 HD2 HIS 83 HD2 HIS 83 -4.344 2.812 -2.415 652 HE1 HIS 83 HE1 HIS 83 -3.858 6.958 -3.102 653 H PHE 84 H PHE 84 -1.428 0.527 -1.030 654 HA PHE 84 HA PHE 84 -1.542 0.280 -3.967 655 HB2 PHE 84 HB1 PHE 84 -2.119 -1.636 -1.681 656 HB3 PHE 84 HB2 PHE 84 -2.326 -2.039 -3.398 657 HD1 PHE 84 HD2 PHE 84 -0.269 -1.737 -4.949 658 HD2 PHE 84 HD1 PHE 84 -0.016 -1.915 -0.648 659 HE1 PHE 84 HE2 PHE 84 2.114 -2.388 -5.115 660 HE2 PHE 84 HE1 PHE 84 2.380 -2.517 -0.825 661 HZ PHE 84 HZ PHE 84 3.423 -2.838 -3.047 662 H MET 85 H MET 85 -3.452 0.245 -5.086 663 HA MET 85 HA MET 85 -6.078 0.565 -3.686 664 HB2 MET 85 HB1 MET 85 -5.247 1.736 -6.009 665 HB3 MET 85 HB2 MET 85 -6.071 0.281 -6.614 666 HG2 MET 85 HG1 MET 85 -7.711 2.004 -6.491 667 HG3 MET 85 HG2 MET 85 -8.044 0.873 -5.178 668 HE1 MET 85 HE1 MET 85 -9.409 2.150 -3.633 669 HE2 MET 85 HE2 MET 85 -9.147 3.796 -3.032 670 HE3 MET 85 HE3 MET 85 -9.628 3.532 -4.735 671 H LEU 86 H LEU 86 -7.267 -1.252 -3.418 672 HA LEU 86 HA LEU 86 -6.505 -3.787 -4.844 673 HB2 LEU 86 HB1 LEU 86 -7.706 -3.256 -2.106 674 HB3 LEU 86 HB2 LEU 86 -7.840 -4.834 -2.941 675 HG LEU 86 HG LEU 86 -5.430 -5.127 -2.867 676 HD11 LEU 86 HD11 LEU 86 -5.341 -2.468 -1.364 677 HD12 LEU 86 HD12 LEU 86 -4.530 -2.865 -2.898 678 HD13 LEU 86 HD13 LEU 86 -4.015 -3.653 -1.417 679 HD21 LEU 86 HD21 LEU 86 -6.865 -5.915 -1.011 680 HD22 LEU 86 HD22 LEU 86 -6.647 -4.359 -0.177 681 HD23 LEU 86 HD23 LEU 86 -5.261 -5.452 -0.417 682 H LEU 87 H LEU 87 -7.945 -4.464 -6.299 683 HA LEU 87 HA LEU 87 -10.810 -3.707 -5.978 684 HB2 LEU 87 HB1 LEU 87 -9.312 -3.759 -8.618 685 HB3 LEU 87 HB2 LEU 87 -11.041 -3.409 -8.353 686 HG LEU 87 HG LEU 87 -10.037 -1.414 -6.881 687 HD11 LEU 87 HD11 LEU 87 -7.617 -1.981 -7.217 688 HD12 LEU 87 HD12 LEU 87 -8.020 -0.431 -7.956 689 HD13 LEU 87 HD13 LEU 87 -7.842 -1.871 -8.970 690 HD21 LEU 87 HD21 LEU 87 -10.226 0.038 -8.869 691 HD22 LEU 87 HD22 LEU 87 -11.526 -1.161 -8.822 692 HD23 LEU 87 HD23 LEU 87 -10.152 -1.388 -9.927 693 H GLY 88 H GLY 88 -12.294 -5.188 -6.564 694 HA2 GLY 88 HA3 GLY 88 -13.205 -7.235 -7.099 695 HA3 GLY 88 HA2 GLY 88 -11.724 -7.584 -8.018 696 H LEU 89 H LEU 89 -12.091 -7.060 -4.463 697 HA LEU 89 HA LEU 89 -10.555 -9.261 -3.751 698 HB2 LEU 89 HB1 LEU 89 -11.676 -9.150 -1.504 699 HB3 LEU 89 HB2 LEU 89 -10.759 -7.757 -2.100 700 HG LEU 89 HG LEU 89 -12.959 -6.645 -2.629 701 HD11 LEU 89 HD11 LEU 89 -14.107 -9.111 -1.253 702 HD12 LEU 89 HD12 LEU 89 -14.511 -8.465 -2.863 703 HD13 LEU 89 HD13 LEU 89 -14.989 -7.584 -1.414 704 HD21 LEU 89 HD21 LEU 89 -13.470 -6.136 -0.253 705 HD22 LEU 89 HD22 LEU 89 -11.731 -6.165 -0.562 706 HD23 LEU 89 HD23 LEU 89 -12.508 -7.544 0.251 707 H LYS 90 H LYS 90 -10.806 -11.110 -2.837 708 HA LYS 90 HA LYS 90 -12.902 -12.753 -4.187 709 HB2 LYS 90 HB1 LYS 90 -10.193 -13.580 -3.149 710 HB3 LYS 90 HB2 LYS 90 -11.281 -14.540 -4.174 711 HG2 LYS 90 HG1 LYS 90 -9.865 -11.957 -4.960 712 HG3 LYS 90 HG2 LYS 90 -9.451 -13.611 -5.474 713 HD2 LYS 90 HD1 LYS 90 -11.578 -13.793 -6.669 714 HD3 LYS 90 HD2 LYS 90 -12.027 -12.151 -6.129 715 HE2 LYS 90 HE1 LYS 90 -11.325 -12.146 -8.446 716 HE3 LYS 90 HE2 LYS 90 -10.254 -11.159 -7.445 717 HZ1 LYS 90 HZ1 LYS 90 -9.244 -12.654 -9.171 718 HZ2 LYS 90 HZ2 LYS 90 -9.559 -13.925 -8.211 719 HZ3 LYS 90 HZ3 LYS 90 -8.562 -12.685 -7.695 720 H ARG 91 H ARG 91 -12.320 -11.668 -1.112 721 HA ARG 91 HA ARG 91 -14.370 -13.412 0.024 722 HB2 ARG 91 HB1 ARG 91 -11.659 -13.042 1.354 723 HB3 ARG 91 HB2 ARG 91 -13.085 -13.698 2.175 724 HG2 ARG 91 HG1 ARG 91 -11.690 -14.978 -0.206 725 HG3 ARG 91 HG2 ARG 91 -11.454 -15.426 1.509 726 HD2 ARG 91 HD1 ARG 91 -13.841 -16.023 1.673 727 HD3 ARG 91 HD2 ARG 91 -14.085 -15.623 -0.025 728 HE ARG 91 HE ARG 91 -12.589 -17.929 1.107 729 HH11 ARG 91 HH12 ARG 91 -13.607 -16.304 -1.868 730 HH12 ARG 91 HH11 ARG 91 -13.569 -17.772 -2.797 731 HH21 ARG 91 HH22 ARG 91 -12.399 -19.754 -0.182 732 HH22 ARG 91 HH21 ARG 91 -12.795 -19.679 -1.873 733 HA PRO 92 HA PRO 92 -15.197 -9.313 1.758 734 HB2 PRO 92 HB1 PRO 92 -17.366 -9.805 3.296 735 HB3 PRO 92 HB2 PRO 92 -17.430 -9.962 1.513 736 HG2 PRO 92 HG1 PRO 92 -17.010 -12.162 3.561 737 HG3 PRO 92 HG2 PRO 92 -18.168 -12.141 2.184 738 HD2 PRO 92 HD1 PRO 92 -15.693 -13.350 2.053 739 HD3 PRO 92 HD2 PRO 92 -16.463 -12.581 0.637 740 H LEU 93 H LEU 93 -15.066 -8.124 3.789 741 HA LEU 93 HA LEU 93 -13.325 -9.412 5.758 742 HB2 LEU 93 HB1 LEU 93 -12.032 -7.415 5.751 743 HB3 LEU 93 HB2 LEU 93 -12.102 -8.061 4.113 744 HG LEU 93 HG LEU 93 -13.647 -5.637 5.165 745 HD11 LEU 93 HD11 LEU 93 -11.207 -5.808 3.354 746 HD12 LEU 93 HD12 LEU 93 -11.227 -5.247 5.042 747 HD13 LEU 93 HD13 LEU 93 -12.080 -4.326 3.797 748 HD21 LEU 93 HD21 LEU 93 -13.497 -6.853 2.376 749 HD22 LEU 93 HD22 LEU 93 -13.959 -5.165 2.661 750 HD23 LEU 93 HD23 LEU 93 -14.953 -6.452 3.326 751 H LYS 94 H LYS 94 -13.589 -8.876 7.704 752 HA LYS 94 HA LYS 94 -15.564 -6.815 8.648 753 HB2 LYS 94 HB1 LYS 94 -14.152 -8.566 10.598 754 HB3 LYS 94 HB2 LYS 94 -15.747 -7.822 10.712 755 HG2 LYS 94 HG1 LYS 94 -14.911 -10.399 9.420 756 HG3 LYS 94 HG2 LYS 94 -16.098 -10.141 10.708 757 HD2 LYS 94 HD1 LYS 94 -17.790 -9.755 9.239 758 HD3 LYS 94 HD2 LYS 94 -16.781 -8.915 8.065 759 HE2 LYS 94 HE1 LYS 94 -16.778 -11.930 8.586 760 HE3 LYS 94 HE2 LYS 94 -17.612 -11.138 7.238 761 HZ1 LYS 94 HZ1 LYS 94 -15.364 -12.073 6.668 762 HZ2 LYS 94 HZ2 LYS 94 -14.655 -11.031 7.681 763 HZ3 LYS 94 HZ3 LYS 94 -15.437 -10.469 6.382 764 H ALA 95 H ALA 95 -14.418 -6.236 11.017 765 HA ALA 95 HA ALA 95 -11.563 -5.518 10.587 766 HB1 ALA 95 HB1 ALA 95 -13.475 -4.269 12.613 767 HB2 ALA 95 HB2 ALA 95 -11.732 -3.952 12.479 768 HB3 ALA 95 HB3 ALA 95 -12.816 -3.460 11.166 769 H GLY 96 H GLY 96 -10.189 -6.553 12.005 770 HA2 GLY 96 HA3 GLY 96 -9.683 -7.946 13.917 771 HA3 GLY 96 HA2 GLY 96 -11.326 -8.623 13.817 772 H GLU 97 H GLU 97 -10.119 -8.434 10.682 773 HA GLU 97 HA GLU 97 -9.416 -11.261 10.517 774 HB2 GLU 97 HB1 GLU 97 -8.917 -9.452 8.229 775 HB3 GLU 97 HB2 GLU 97 -9.627 -11.060 8.238 776 HG2 GLU 97 HG1 GLU 97 -11.116 -8.543 9.065 777 HG3 GLU 97 HG2 GLU 97 -11.054 -9.169 7.394 778 H GLU 98 H GLU 98 -7.419 -11.649 8.993 779 HA GLU 98 HA GLU 98 -5.427 -9.678 8.920 780 HB2 GLU 98 HB1 GLU 98 -3.539 -10.955 9.531 781 HB3 GLU 98 HB2 GLU 98 -4.638 -10.955 10.915 782 HG2 GLU 98 HG1 GLU 98 -5.318 -13.262 10.371 783 HG3 GLU 98 HG2 GLU 98 -4.252 -13.261 8.951 784 H VAL 99 H VAL 99 -4.237 -9.990 7.134 785 HA VAL 99 HA VAL 99 -5.248 -11.822 4.985 786 HB VAL 99 HB VAL 99 -5.368 -8.777 4.964 787 HG11 VAL 99 HG11 VAL 99 -6.279 -8.998 2.642 788 HG12 VAL 99 HG12 VAL 99 -4.581 -9.439 2.751 789 HG13 VAL 99 HG13 VAL 99 -5.815 -10.716 2.655 790 HG21 VAL 99 HG21 VAL 99 -7.775 -9.137 4.478 791 HG22 VAL 99 HG22 VAL 99 -7.542 -10.893 4.618 792 HG23 VAL 99 HG23 VAL 99 -7.325 -9.840 6.032 793 H GLU 100 H GLU 100 -3.817 -12.393 3.549 794 HA GLU 100 HA GLU 100 -1.022 -11.717 3.866 795 HB2 GLU 100 HB1 GLU 100 -1.851 -13.987 3.401 796 HB3 GLU 100 HB2 GLU 100 -2.460 -13.448 1.823 797 HG2 GLU 100 HG1 GLU 100 -0.115 -12.842 1.188 798 HG3 GLU 100 HG2 GLU 100 0.449 -13.523 2.727 799 H LEU 101 H LEU 101 0.245 -10.423 2.702 800 HA LEU 101 HA LEU 101 -0.537 -9.630 -0.037 801 HB2 LEU 101 HB1 LEU 101 0.254 -7.820 2.182 802 HB3 LEU 101 HB2 LEU 101 1.188 -7.623 0.665 803 HG LEU 101 HG LEU 101 -1.091 -7.460 -0.518 804 HD11 LEU 101 HD11 LEU 101 -2.563 -8.179 1.331 805 HD12 LEU 101 HD12 LEU 101 -2.929 -6.524 0.856 806 HD13 LEU 101 HD13 LEU 101 -1.991 -6.834 2.335 807 HD21 LEU 101 HD21 LEU 101 -1.225 -5.047 -0.059 808 HD22 LEU 101 HD22 LEU 101 0.452 -5.578 -0.253 809 HD23 LEU 101 HD23 LEU 101 -0.194 -5.254 1.376 810 H ASP 102 H ASP 102 0.979 -9.624 -1.492 811 HA ASP 102 HA ASP 102 3.704 -10.704 -0.892 812 HB2 ASP 102 HB1 ASP 102 1.792 -11.823 -2.494 813 HB3 ASP 102 HB2 ASP 102 2.546 -10.747 -3.664 814 H LEU 103 H LEU 103 5.392 -9.351 -1.455 815 HA LEU 103 HA LEU 103 4.698 -6.751 -2.783 816 HB2 LEU 103 HB1 LEU 103 6.935 -7.545 -0.895 817 HB3 LEU 103 HB2 LEU 103 6.817 -5.985 -1.760 818 HG LEU 103 HG LEU 103 4.525 -5.746 -0.542 819 HD11 LEU 103 HD11 LEU 103 5.886 -7.797 1.279 820 HD12 LEU 103 HD12 LEU 103 4.313 -7.991 0.477 821 HD13 LEU 103 HD13 LEU 103 4.506 -6.786 1.743 822 HD21 LEU 103 HD21 LEU 103 5.753 -4.773 1.441 823 HD22 LEU 103 HD22 LEU 103 6.441 -4.311 -0.126 824 HD23 LEU 103 HD23 LEU 103 7.225 -5.568 0.850 825 H LEU 104 H LEU 104 5.604 -6.248 -4.723 826 HA LEU 104 HA LEU 104 7.618 -8.135 -5.879 827 HB2 LEU 104 HB1 LEU 104 5.651 -6.231 -7.192 828 HB3 LEU 104 HB2 LEU 104 6.751 -7.297 -8.049 829 HG LEU 104 HG LEU 104 4.372 -8.082 -6.319 830 HD11 LEU 104 HD11 LEU 104 3.436 -8.967 -8.409 831 HD12 LEU 104 HD12 LEU 104 4.872 -8.415 -9.302 832 HD13 LEU 104 HD13 LEU 104 3.780 -7.237 -8.546 833 HD21 LEU 104 HD21 LEU 104 4.812 -10.434 -7.022 834 HD22 LEU 104 HD22 LEU 104 6.117 -9.794 -6.021 835 HD23 LEU 104 HD23 LEU 104 6.336 -9.914 -7.779 836 H PHE 105 H PHE 105 9.602 -7.433 -5.830 837 HA PHE 105 HA PHE 105 10.219 -4.519 -5.819 838 HB2 PHE 105 HB1 PHE 105 11.591 -6.924 -4.620 839 HB3 PHE 105 HB2 PHE 105 12.346 -5.330 -4.733 840 HD1 PHE 105 HD2 PHE 105 11.100 -3.344 -3.592 841 HD2 PHE 105 HD1 PHE 105 10.197 -7.485 -2.795 842 HE1 PHE 105 HE2 PHE 105 10.124 -2.710 -1.394 843 HE2 PHE 105 HE1 PHE 105 9.217 -6.845 -0.619 844 HZ PHE 105 HZ PHE 105 9.194 -4.458 0.098 845 H ALA 106 H ALA 106 11.195 -3.761 -7.564 846 HA ALA 106 HA ALA 106 12.254 -3.548 -9.569 847 HB1 ALA 106 HB1 ALA 106 14.062 -3.631 -7.872 848 HB2 ALA 106 HB2 ALA 106 14.241 -5.381 -8.166 849 HB3 ALA 106 HB3 ALA 106 14.601 -4.218 -9.456 850 H GLY 107 H GLY 107 10.382 -5.888 -9.514 851 HA2 GLY 107 HA3 GLY 107 9.648 -7.453 -11.064 852 HA3 GLY 107 HA2 GLY 107 11.140 -7.227 -12.004 853 H GLY 108 H GLY 108 13.161 -7.916 -10.512 854 HA2 GLY 108 HA3 GLY 108 12.946 -10.761 -10.556 855 HA3 GLY 108 HA2 GLY 108 14.405 -9.805 -10.210 856 H LYS 109 H LYS 109 12.172 -8.910 -7.851 857 HA LYS 109 HA LYS 109 12.742 -11.245 -6.082 858 HB2 LYS 109 HB1 LYS 109 13.274 -8.311 -5.560 859 HB3 LYS 109 HB2 LYS 109 12.927 -9.422 -4.212 860 HG2 LYS 109 HG1 LYS 109 14.840 -10.780 -4.724 861 HG3 LYS 109 HG2 LYS 109 15.122 -9.916 -6.246 862 HD2 LYS 109 HD1 LYS 109 15.616 -7.841 -4.982 863 HD3 LYS 109 HD2 LYS 109 15.292 -8.695 -3.455 864 HE2 LYS 109 HE1 LYS 109 17.162 -10.242 -3.920 865 HE3 LYS 109 HE2 LYS 109 17.445 -9.457 -5.486 866 HZ1 LYS 109 HZ1 LYS 109 18.967 -8.688 -3.760 867 HZ2 LYS 109 HZ2 LYS 109 17.717 -8.154 -2.830 868 HZ3 LYS 109 HZ3 LYS 109 18.026 -7.445 -4.283 869 H VAL 110 H VAL 110 11.149 -11.888 -4.828 870 HA VAL 110 HA VAL 110 8.751 -10.222 -4.402 871 HB VAL 110 HB VAL 110 8.243 -11.904 -6.077 872 HG11 VAL 110 HG11 VAL 110 9.868 -13.662 -5.516 873 HG12 VAL 110 HG12 VAL 110 8.963 -14.041 -4.034 874 HG13 VAL 110 HG13 VAL 110 8.225 -14.309 -5.624 875 HG21 VAL 110 HG21 VAL 110 6.474 -11.271 -4.322 876 HG22 VAL 110 HG22 VAL 110 6.216 -12.818 -5.137 877 HG23 VAL 110 HG23 VAL 110 6.890 -12.787 -3.505 878 H LEU 111 H LEU 111 7.769 -10.413 -2.364 879 HA LEU 111 HA LEU 111 8.940 -12.170 -0.296 880 HB2 LEU 111 HB1 LEU 111 10.418 -10.218 -0.303 881 HB3 LEU 111 HB2 LEU 111 9.017 -9.125 -0.230 882 HG LEU 111 HG LEU 111 8.487 -9.975 2.043 883 HD11 LEU 111 HD11 LEU 111 11.085 -11.557 1.739 884 HD12 LEU 111 HD12 LEU 111 9.454 -12.240 1.930 885 HD13 LEU 111 HD13 LEU 111 10.186 -11.333 3.255 886 HD21 LEU 111 HD21 LEU 111 9.875 -7.965 1.756 887 HD22 LEU 111 HD22 LEU 111 11.343 -8.964 1.690 888 HD23 LEU 111 HD23 LEU 111 10.386 -8.883 3.183 889 H LYS 112 H LYS 112 7.301 -12.942 0.930 890 HA LYS 112 HA LYS 112 4.687 -11.523 0.785 891 HB2 LYS 112 HB1 LYS 112 5.245 -13.899 -0.250 892 HB3 LYS 112 HB2 LYS 112 4.965 -14.472 1.398 893 HG2 LYS 112 HG1 LYS 112 2.711 -13.589 1.387 894 HG3 LYS 112 HG2 LYS 112 3.016 -12.675 -0.115 895 HD2 LYS 112 HD1 LYS 112 1.709 -14.516 -0.754 896 HD3 LYS 112 HD2 LYS 112 3.345 -14.870 -1.312 897 HE2 LYS 112 HE1 LYS 112 3.639 -16.570 0.288 898 HE3 LYS 112 HE2 LYS 112 2.490 -15.777 1.430 899 HZ1 LYS 112 HZ1 LYS 112 1.690 -17.272 -0.993 900 HZ2 LYS 112 HZ2 LYS 112 0.712 -16.383 0.012 901 HZ3 LYS 112 HZ3 LYS 112 1.435 -17.665 0.620 902 H VAL 113 H VAL 113 3.487 -11.081 2.571 903 HA VAL 113 HA VAL 113 4.237 -12.114 5.237 904 HB VAL 113 HB VAL 113 4.095 -9.109 4.851 905 HG11 VAL 113 HG11 VAL 113 3.650 -9.692 7.146 906 HG12 VAL 113 HG12 VAL 113 4.999 -10.852 7.179 907 HG13 VAL 113 HG13 VAL 113 5.294 -9.104 7.092 908 HG21 VAL 113 HG21 VAL 113 6.166 -9.780 3.688 909 HG22 VAL 113 HG22 VAL 113 6.594 -9.054 5.235 910 HG23 VAL 113 HG23 VAL 113 6.632 -10.809 5.065 911 H VAL 114 H VAL 114 2.607 -11.289 6.880 912 HA VAL 114 HA VAL 114 -0.112 -10.975 5.669 913 HB VAL 114 HB VAL 114 0.583 -12.517 8.203 914 HG11 VAL 114 HG11 VAL 114 -1.812 -13.220 8.117 915 HG12 VAL 114 HG12 VAL 114 -1.669 -11.469 8.308 916 HG13 VAL 114 HG13 VAL 114 -2.077 -12.161 6.722 917 HG21 VAL 114 HG21 VAL 114 -0.179 -14.523 6.925 918 HG22 VAL 114 HG22 VAL 114 -0.299 -13.528 5.458 919 HG23 VAL 114 HG23 VAL 114 1.277 -13.812 6.231 920 H LEU 115 H LEU 115 -1.395 -9.425 6.532 921 HA LEU 115 HA LEU 115 -0.375 -7.819 8.839 922 HB2 LEU 115 HB1 LEU 115 -1.745 -6.684 6.363 923 HB3 LEU 115 HB2 LEU 115 -1.147 -5.794 7.792 924 HG LEU 115 HG LEU 115 1.152 -7.053 6.982 925 HD11 LEU 115 HD11 LEU 115 -0.335 -6.330 4.413 926 HD12 LEU 115 HD12 LEU 115 0.089 -7.978 4.917 927 HD13 LEU 115 HD13 LEU 115 1.368 -6.816 4.542 928 HD21 LEU 115 HD21 LEU 115 0.917 -4.697 7.547 929 HD22 LEU 115 HD22 LEU 115 0.124 -4.379 5.984 930 HD23 LEU 115 HD23 LEU 115 1.831 -4.907 6.057 931 HA PRO 116 HA PRO 116 -4.548 -8.323 10.381 932 HB2 PRO 116 HB1 PRO 116 -4.823 -6.153 12.007 933 HB3 PRO 116 HB2 PRO 116 -3.712 -7.499 12.405 934 HG2 PRO 116 HG1 PRO 116 -3.022 -4.903 10.977 935 HG3 PRO 116 HG2 PRO 116 -2.218 -5.578 12.429 936 HD2 PRO 116 HD1 PRO 116 -1.185 -6.029 9.985 937 HD3 PRO 116 HD2 PRO 116 -1.261 -7.360 11.179 938 H VAL 117 H VAL 117 -6.625 -7.528 10.082 939 HA VAL 117 HA VAL 117 -6.942 -4.951 8.561 940 HB VAL 117 HB VAL 117 -8.966 -7.213 8.736 941 HG11 VAL 117 HG11 VAL 117 -10.201 -5.879 7.040 942 HG12 VAL 117 HG12 VAL 117 -10.041 -4.971 8.543 943 HG13 VAL 117 HG13 VAL 117 -8.995 -4.582 7.171 944 HG21 VAL 117 HG21 VAL 117 -7.097 -7.837 7.254 945 HG22 VAL 117 HG22 VAL 117 -8.537 -7.469 6.295 946 HG23 VAL 117 HG23 VAL 117 -7.220 -6.283 6.408 947 H GLU 118 H GLU 118 -6.472 -3.942 10.518 948 HA GLU 118 HA GLU 118 -9.018 -3.442 11.957 949 HB2 GLU 118 HB1 GLU 118 -6.274 -2.733 12.598 950 HB3 GLU 118 HB2 GLU 118 -7.235 -1.263 12.369 951 HG2 GLU 118 HG1 GLU 118 -8.163 -3.564 14.125 952 HG3 GLU 118 HG2 GLU 118 -7.138 -2.235 14.729 953 H ALA 119 H ALA 119 -9.920 -1.390 11.535 954 HA ALA 119 HA ALA 119 -9.890 -0.604 8.658 955 HB1 ALA 119 HB1 ALA 119 -11.951 0.637 9.348 956 HB2 ALA 119 HB2 ALA 119 -12.046 -1.081 9.788 957 HB3 ALA 119 HB3 ALA 119 -11.683 0.130 11.030 958 H ARG 120 H ARG 120 -10.094 1.842 8.346 959 HA ARG 120 HA ARG 120 -9.573 4.022 8.518 960 HB2 ARG 120 HB1 ARG 120 -9.863 5.127 10.713 961 HB3 ARG 120 HB2 ARG 120 -11.203 4.040 10.270 962 HG2 ARG 120 HG1 ARG 120 -10.386 2.343 11.758 963 HG3 ARG 120 HG2 ARG 120 -8.938 3.274 12.153 964 HD2 ARG 120 HD1 ARG 120 -10.513 5.006 13.166 965 HD3 ARG 120 HD2 ARG 120 -11.800 3.803 13.001 966 HE ARG 120 HE ARG 120 -9.780 3.902 15.008 967 HH11 ARG 120 HH12 ARG 120 -10.994 1.273 12.985 968 HH12 ARG 120 HH11 ARG 120 -10.485 0.101 14.138 969 HH21 ARG 120 HH22 ARG 120 -9.061 2.210 16.292 970 HH22 ARG 120 HH21 ARG 120 -9.494 0.585 15.794 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 5.671 -13.657 6.902 2 H2 GLY 1 2H GLY 1 4.081 -13.234 6.777 3 H3 GLY 1 3H GLY 1 4.698 -13.754 8.221 4 HA2 GLY 1 HA3 GLY 1 5.504 -11.292 6.852 5 HA3 GLY 1 HA2 GLY 1 4.385 -11.378 8.231 6 H SER 2 H SER 2 7.061 -10.075 7.908 7 HA SER 2 HA SER 2 8.190 -10.994 10.491 8 HB2 SER 2 HB1 SER 2 9.781 -9.986 8.090 9 HB3 SER 2 HB2 SER 2 10.422 -10.309 9.718 10 HG SER 2 HG SER 2 10.777 -12.067 8.283 11 H PHE 3 H PHE 3 8.472 -9.135 11.843 12 HA PHE 3 HA PHE 3 7.562 -7.204 12.638 13 HB2 PHE 3 HB1 PHE 3 8.847 -6.089 10.130 14 HB3 PHE 3 HB2 PHE 3 8.253 -5.106 11.486 15 HD1 PHE 3 HD1 PHE 3 10.918 -7.409 10.363 16 HD2 PHE 3 HD2 PHE 3 9.399 -5.048 13.634 17 HE1 PHE 3 HE1 PHE 3 13.077 -7.677 11.564 18 HE2 PHE 3 HE2 PHE 3 11.555 -5.317 14.828 19 HZ PHE 3 HZ PHE 3 13.396 -6.633 13.801 20 H THR 4 H THR 4 6.748 -5.330 10.086 21 HA THR 4 HA THR 4 5.067 -5.188 8.527 22 HB THR 4 HB THR 4 3.131 -6.989 9.998 23 HG1 THR 4 HG1 THR 4 4.947 -8.133 9.406 24 HG21 THR 4 HG21 THR 4 3.386 -5.732 7.214 25 HG22 THR 4 HG22 THR 4 2.151 -5.419 8.439 26 HG23 THR 4 HG23 THR 4 2.181 -6.966 7.605 27 H GLU 5 H GLU 5 5.509 -3.229 9.719 28 HA GLU 5 HA GLU 5 3.559 -2.360 11.715 29 HB2 GLU 5 HB1 GLU 5 6.022 -1.857 11.607 30 HB3 GLU 5 HB2 GLU 5 5.710 -0.845 10.204 31 HG2 GLU 5 HG1 GLU 5 4.243 0.599 11.643 32 HG3 GLU 5 HG2 GLU 5 4.656 -0.429 13.035 33 H GLY 6 H GLY 6 1.713 -2.981 10.150 34 HA2 GLY 6 HA3 GLY 6 0.776 -0.526 8.859 35 HA3 GLY 6 HA2 GLY 6 1.029 -1.899 7.756 36 H TRP 7 H TRP 7 -1.375 -1.053 7.617 37 HA TRP 7 HA TRP 7 -2.973 -3.216 8.832 38 HB2 TRP 7 HB1 TRP 7 -4.760 -1.824 9.509 39 HB3 TRP 7 HB2 TRP 7 -3.307 -1.179 10.260 40 HD1 TRP 7 HD TRP 7 -6.149 -0.313 7.977 41 HE1 TRP 7 HE1 TRP 7 -6.169 2.172 7.427 42 HE3 TRP 7 3HE TRP 7 -1.462 0.887 9.668 43 HZ2 TRP 7 HZ2 TRP 7 -4.372 4.412 7.686 44 HZ3 TRP 7 HZ3 TRP 7 -0.646 3.216 9.505 45 HH2 TRP 7 HH TRP 7 -2.096 4.994 8.569 46 H VAL 8 H VAL 8 -5.097 -3.468 7.711 47 HA VAL 8 HA VAL 8 -5.099 -2.465 4.869 48 HB VAL 8 HB VAL 8 -6.440 -4.925 6.049 49 HG11 VAL 8 HG11 VAL 8 -7.189 -5.389 3.708 50 HG12 VAL 8 HG12 VAL 8 -7.942 -3.936 4.366 51 HG13 VAL 8 HG13 VAL 8 -6.594 -3.788 3.217 52 HG21 VAL 8 HG21 VAL 8 -4.038 -5.252 5.581 53 HG22 VAL 8 HG22 VAL 8 -5.025 -6.180 4.451 54 HG23 VAL 8 HG23 VAL 8 -4.262 -4.663 3.924 55 H ARG 9 H ARG 9 -6.760 -1.142 4.286 56 HA ARG 9 HA ARG 9 -8.583 -0.184 6.361 57 HB2 ARG 9 HB1 ARG 9 -7.680 1.394 4.771 58 HB3 ARG 9 HB2 ARG 9 -8.343 0.467 3.401 59 HG2 ARG 9 HG1 ARG 9 -10.602 0.902 4.093 60 HG3 ARG 9 HG2 ARG 9 -10.062 1.682 5.586 61 HD2 ARG 9 HD1 ARG 9 -8.767 2.990 3.377 62 HD3 ARG 9 HD2 ARG 9 -10.470 2.815 2.944 63 HE ARG 9 HE ARG 9 -9.385 4.143 5.407 64 HH11 ARG 9 HH12 ARG 9 -12.335 3.611 3.505 65 HH12 ARG 9 HH11 ARG 9 -13.087 5.012 4.207 66 HH21 ARG 9 HH22 ARG 9 -10.395 5.593 6.361 67 HH22 ARG 9 HH21 ARG 9 -12.014 6.139 5.932 68 H PHE 10 H PHE 10 -10.268 -1.353 6.934 69 HA PHE 10 HA PHE 10 -11.983 -2.934 5.161 70 HB2 PHE 10 HB1 PHE 10 -12.220 -3.310 7.521 71 HB3 PHE 10 HB2 PHE 10 -12.362 -1.577 7.855 72 HD1 PHE 10 HD1 PHE 10 -14.438 -0.344 7.443 73 HD2 PHE 10 HD2 PHE 10 -14.095 -4.511 6.466 74 HE1 PHE 10 HE1 PHE 10 -16.862 -0.432 6.991 75 HE2 PHE 10 HE2 PHE 10 -16.556 -4.678 6.279 76 HZ PHE 10 HZ PHE 10 -17.961 -2.620 6.477 77 H SER 11 H SER 11 -13.476 -2.108 3.690 78 HA SER 11 HA SER 11 -14.954 0.276 4.336 79 HB2 SER 11 HB1 SER 11 -12.921 0.144 2.087 80 HB3 SER 11 HB2 SER 11 -14.409 1.068 1.863 81 HG SER 11 HG SER 11 -12.803 1.327 4.180 82 HA PRO 12 HA PRO 12 -17.721 -2.610 2.515 83 HB2 PRO 12 HB1 PRO 12 -20.079 -1.354 2.761 84 HB3 PRO 12 HB2 PRO 12 -19.033 -1.605 4.193 85 HG2 PRO 12 HG1 PRO 12 -19.129 0.868 2.412 86 HG3 PRO 12 HG2 PRO 12 -19.401 0.808 4.188 87 HD2 PRO 12 HD1 PRO 12 -16.941 1.353 3.145 88 HD3 PRO 12 HD2 PRO 12 -17.124 0.333 4.603 89 H GLY 13 H GLY 13 -16.268 -1.708 0.499 90 HA2 GLY 13 HA3 GLY 13 -18.178 -1.237 -1.745 91 HA3 GLY 13 HA2 GLY 13 -16.603 -0.415 -1.701 92 HA PRO 14 HA PRO 14 -15.967 -4.510 -3.906 93 HB2 PRO 14 HB1 PRO 14 -15.307 -3.549 -6.376 94 HB3 PRO 14 HB2 PRO 14 -16.995 -3.833 -5.878 95 HG2 PRO 14 HG1 PRO 14 -15.456 -1.224 -5.862 96 HG3 PRO 14 HG2 PRO 14 -17.110 -1.532 -6.502 97 HD2 PRO 14 HD1 PRO 14 -16.662 -0.476 -4.009 98 HD3 PRO 14 HD2 PRO 14 -18.025 -1.585 -4.335 99 H ASN 15 H ASN 15 -14.239 -1.503 -3.467 100 HA ASN 15 HA ASN 15 -11.616 -2.797 -3.816 101 HB2 ASN 15 HB1 ASN 15 -10.867 -0.585 -4.461 102 HB3 ASN 15 HB2 ASN 15 -12.260 -1.015 -5.449 103 HD21 ASN 15 HD21 ASN 15 -14.224 0.212 -5.185 104 HD22 ASN 15 HD22 ASN 15 -14.234 1.701 -4.247 105 H ALA 16 H ALA 16 -9.896 -1.765 -2.541 106 HA ALA 16 HA ALA 16 -10.516 -0.312 -0.064 107 HB1 ALA 16 HB1 ALA 16 -9.249 -3.091 -0.068 108 HB2 ALA 16 HB2 ALA 16 -9.334 -2.014 1.342 109 HB3 ALA 16 HB3 ALA 16 -10.824 -2.626 0.622 110 H ALA 17 H ALA 17 -8.147 -0.311 1.183 111 HA ALA 17 HA ALA 17 -5.932 0.351 -0.672 112 HB1 ALA 17 HB1 ALA 17 -7.132 2.490 -0.382 113 HB2 ALA 17 HB2 ALA 17 -7.054 2.307 1.385 114 HB3 ALA 17 HB3 ALA 17 -5.564 2.518 0.451 115 H ALA 18 H ALA 18 -3.873 0.150 0.475 116 HA ALA 18 HA ALA 18 -4.014 -0.751 3.322 117 HB1 ALA 18 HB1 ALA 18 -2.440 -2.186 1.144 118 HB2 ALA 18 HB2 ALA 18 -2.470 -2.577 2.874 119 HB3 ALA 18 HB3 ALA 18 -3.937 -2.771 1.907 120 H TYR 19 H TYR 19 -2.437 -0.151 4.613 121 HA TYR 19 HA TYR 19 -0.394 1.781 3.597 122 HB2 TYR 19 HB1 TYR 19 -2.150 1.955 6.082 123 HB3 TYR 19 HB2 TYR 19 -0.964 3.157 5.574 124 HD1 TYR 19 HD2 TYR 19 -1.403 4.421 3.387 125 HD2 TYR 19 HD1 TYR 19 -4.394 2.049 5.355 126 HE1 TYR 19 HE2 TYR 19 -3.207 5.729 2.237 127 HE2 TYR 19 HE1 TYR 19 -6.190 3.390 4.296 128 HH TYR 19 HH TYR 19 -6.660 5.185 2.907 129 H LEU 20 H LEU 20 1.640 1.611 4.593 130 HA LEU 20 HA LEU 20 2.134 0.091 7.004 131 HB2 LEU 20 HB1 LEU 20 3.173 -1.882 6.025 132 HB3 LEU 20 HB2 LEU 20 1.469 -1.771 5.540 133 HG LEU 20 HG LEU 20 2.634 -0.590 3.379 134 HD11 LEU 20 HD11 LEU 20 4.673 -2.648 4.354 135 HD12 LEU 20 HD12 LEU 20 4.963 -0.910 4.153 136 HD13 LEU 20 HD13 LEU 20 4.645 -1.911 2.742 137 HD21 LEU 20 HD21 LEU 20 1.052 -2.461 3.303 138 HD22 LEU 20 HD22 LEU 20 2.342 -3.588 3.784 139 HD23 LEU 20 HD23 LEU 20 2.425 -2.741 2.222 140 H THR 21 H THR 21 4.333 0.115 7.725 141 HA THR 21 HA THR 21 6.053 2.062 6.400 142 HB THR 21 HB THR 21 6.730 0.141 8.644 143 HG1 THR 21 HG1 THR 21 6.150 1.870 9.943 144 HG21 THR 21 HG21 THR 21 8.017 2.739 7.684 145 HG22 THR 21 HG22 THR 21 8.739 1.120 7.605 146 HG23 THR 21 HG23 THR 21 8.427 1.875 9.177 147 H LEU 22 H LEU 22 7.333 1.642 4.663 148 HA LEU 22 HA LEU 22 8.073 -1.157 4.044 149 HB2 LEU 22 HB1 LEU 22 7.492 0.683 2.294 150 HB3 LEU 22 HB2 LEU 22 9.151 1.248 2.562 151 HG LEU 22 HG LEU 22 9.100 -0.083 0.610 152 HD11 LEU 22 HD11 LEU 22 10.321 -1.980 2.644 153 HD12 LEU 22 HD12 LEU 22 11.088 -0.442 2.198 154 HD13 LEU 22 HD13 LEU 22 10.808 -1.689 0.974 155 HD21 LEU 22 HD21 LEU 22 7.999 -2.427 2.209 156 HD22 LEU 22 HD22 LEU 22 8.326 -2.344 0.468 157 HD23 LEU 22 HD23 LEU 22 7.022 -1.368 1.175 158 H GLU 23 H GLU 23 9.729 -2.025 5.005 159 HA GLU 23 HA GLU 23 11.940 -0.379 6.143 160 HB2 GLU 23 HB1 GLU 23 11.204 -3.219 6.905 161 HB3 GLU 23 HB2 GLU 23 12.244 -2.067 7.773 162 HG2 GLU 23 HG1 GLU 23 10.115 -0.637 8.057 163 HG3 GLU 23 HG2 GLU 23 9.206 -2.052 7.498 164 H ASN 24 H ASN 24 13.900 -0.605 5.107 165 HA ASN 24 HA ASN 24 14.322 -2.975 3.329 166 HB2 ASN 24 HB1 ASN 24 14.542 -0.718 2.357 167 HB3 ASN 24 HB2 ASN 24 15.878 -0.380 3.472 168 HD21 ASN 24 HD21 ASN 24 16.808 -0.099 1.104 169 HD22 ASN 24 HD22 ASN 24 17.674 -1.528 0.525 170 HA PRO 25 HA PRO 25 17.163 -4.114 6.764 171 HB2 PRO 25 HB1 PRO 25 17.005 -6.827 6.549 172 HB3 PRO 25 HB2 PRO 25 15.699 -5.857 7.302 173 HG2 PRO 25 HG1 PRO 25 15.857 -6.825 4.424 174 HG3 PRO 25 HG2 PRO 25 14.499 -7.050 5.582 175 HD2 PRO 25 HD1 PRO 25 14.509 -5.007 3.784 176 HD3 PRO 25 HD2 PRO 25 13.905 -4.767 5.451 177 H GLY 26 H GLY 26 17.449 -4.312 3.339 178 HA2 GLY 26 HA3 GLY 26 19.838 -5.972 3.261 179 HA3 GLY 26 HA2 GLY 26 19.014 -5.162 1.909 180 H ASP 27 H ASP 27 21.614 -5.138 1.971 181 HA ASP 27 HA ASP 27 22.770 -2.671 3.073 182 HB2 ASP 27 HB1 ASP 27 23.781 -5.247 1.792 183 HB3 ASP 27 HB2 ASP 27 24.818 -3.935 2.358 184 H LEU 28 H LEU 28 21.220 -3.585 0.376 185 HA LEU 28 HA LEU 28 22.460 -1.621 -1.451 186 HB2 LEU 28 HB1 LEU 28 21.809 -2.983 -3.306 187 HB3 LEU 28 HB2 LEU 28 22.778 -3.959 -2.205 188 HG LEU 28 HG LEU 28 19.730 -4.034 -2.377 189 HD11 LEU 28 HD11 LEU 28 20.006 -6.087 -3.722 190 HD12 LEU 28 HD12 LEU 28 21.772 -5.886 -3.682 191 HD13 LEU 28 HD13 LEU 28 20.751 -4.699 -4.526 192 HD21 LEU 28 HD21 LEU 28 19.997 -6.334 -1.361 193 HD22 LEU 28 HD22 LEU 28 20.353 -5.005 -0.272 194 HD23 LEU 28 HD23 LEU 28 21.691 -5.920 -1.015 195 HA PRO 29 HA PRO 29 18.468 0.236 -1.238 196 HB2 PRO 29 HB1 PRO 29 18.053 1.443 -3.648 197 HB3 PRO 29 HB2 PRO 29 19.316 1.972 -2.494 198 HG2 PRO 29 HG1 PRO 29 19.622 0.271 -4.955 199 HG3 PRO 29 HG2 PRO 29 20.707 1.567 -4.349 200 HD2 PRO 29 HD1 PRO 29 21.067 -1.191 -3.977 201 HD3 PRO 29 HD2 PRO 29 21.810 0.028 -2.936 202 H LEU 30 H LEU 30 16.314 -0.203 -1.531 203 HA LEU 30 HA LEU 30 15.571 -2.493 -3.299 204 HB2 LEU 30 HB1 LEU 30 14.800 -1.660 -0.540 205 HB3 LEU 30 HB2 LEU 30 13.485 -2.301 -1.538 206 HG LEU 30 HG LEU 30 14.682 -3.866 -0.008 207 HD11 LEU 30 HD11 LEU 30 13.196 -4.788 -1.464 208 HD12 LEU 30 HD12 LEU 30 14.638 -5.770 -1.651 209 HD13 LEU 30 HD13 LEU 30 14.246 -4.555 -2.898 210 HD21 LEU 30 HD21 LEU 30 16.711 -4.967 -0.672 211 HD22 LEU 30 HD22 LEU 30 17.045 -3.225 -0.646 212 HD23 LEU 30 HD23 LEU 30 16.781 -4.061 -2.195 213 H ARG 31 H ARG 31 13.463 -2.520 -4.034 214 HA ARG 31 HA ARG 31 12.256 0.081 -4.792 215 HB2 ARG 31 HB1 ARG 31 14.192 -0.272 -6.350 216 HB3 ARG 31 HB2 ARG 31 13.372 -1.758 -6.920 217 HG2 ARG 31 HG1 ARG 31 11.983 -0.584 -8.250 218 HG3 ARG 31 HG2 ARG 31 11.600 0.598 -6.978 219 HD2 ARG 31 HD1 ARG 31 12.568 1.690 -8.930 220 HD3 ARG 31 HD2 ARG 31 13.583 1.891 -7.500 221 HE ARG 31 HE ARG 31 14.122 -0.193 -9.588 222 HH11 ARG 31 HH12 ARG 31 15.396 2.705 -7.846 223 HH12 ARG 31 HH11 ARG 31 16.995 2.279 -8.179 224 HH21 ARG 31 HH22 ARG 31 16.275 -0.467 -10.214 225 HH22 ARG 31 HH21 ARG 31 17.474 0.667 -9.656 226 H LEU 32 H LEU 32 10.199 -0.281 -4.457 227 HA LEU 32 HA LEU 32 8.952 -2.963 -4.669 228 HB2 LEU 32 HB1 LEU 32 8.853 -1.619 -2.616 229 HB3 LEU 32 HB2 LEU 32 8.142 -0.255 -3.498 230 HG LEU 32 HG LEU 32 6.112 -1.716 -3.940 231 HD11 LEU 32 HD11 LEU 32 5.865 -3.736 -2.477 232 HD12 LEU 32 HD12 LEU 32 7.575 -3.581 -2.015 233 HD13 LEU 32 HD13 LEU 32 7.126 -3.941 -3.690 234 HD21 LEU 32 HD21 LEU 32 7.082 -0.991 -1.151 235 HD22 LEU 32 HD22 LEU 32 5.441 -1.573 -1.420 236 HD23 LEU 32 HD23 LEU 32 5.992 -0.087 -2.213 237 H VAL 33 H VAL 33 8.040 -3.434 -6.610 238 HA VAL 33 HA VAL 33 7.231 -1.174 -8.421 239 HB VAL 33 HB VAL 33 7.623 -2.729 -10.288 240 HG11 VAL 33 HG11 VAL 33 9.441 -1.220 -9.531 241 HG12 VAL 33 HG12 VAL 33 10.045 -2.488 -8.443 242 HG13 VAL 33 HG13 VAL 33 10.070 -2.731 -10.199 243 HG21 VAL 33 HG21 VAL 33 8.795 -4.843 -10.010 244 HG22 VAL 33 HG22 VAL 33 8.806 -4.666 -8.251 245 HG23 VAL 33 HG23 VAL 33 7.273 -4.918 -9.114 246 H GLY 34 H GLY 34 6.024 -3.884 -6.637 247 HA2 GLY 34 HA3 GLY 34 3.304 -3.510 -7.585 248 HA3 GLY 34 HA2 GLY 34 4.011 -5.094 -7.978 249 H ALA 35 H ALA 35 1.996 -5.499 -6.628 250 HA ALA 35 HA ALA 35 2.985 -6.607 -4.148 251 HB1 ALA 35 HB1 ALA 35 0.957 -5.832 -2.822 252 HB2 ALA 35 HB2 ALA 35 2.154 -4.606 -3.184 253 HB3 ALA 35 HB3 ALA 35 0.648 -4.657 -4.128 254 H ARG 36 H ARG 36 1.054 -7.897 -3.166 255 HA ARG 36 HA ARG 36 -1.051 -8.817 -4.885 256 HB2 ARG 36 HB1 ARG 36 1.372 -10.163 -5.078 257 HB3 ARG 36 HB2 ARG 36 0.522 -11.154 -3.898 258 HG2 ARG 36 HG1 ARG 36 -1.003 -10.423 -6.321 259 HG3 ARG 36 HG2 ARG 36 0.401 -11.529 -6.475 260 HD2 ARG 36 HD1 ARG 36 -1.343 -12.250 -4.221 261 HD3 ARG 36 HD2 ARG 36 -2.225 -12.228 -5.773 262 HE ARG 36 HE ARG 36 -0.957 -13.973 -6.562 263 HH11 ARG 36 HH12 ARG 36 0.356 -13.217 -3.264 264 HH12 ARG 36 HH11 ARG 36 1.549 -14.424 -3.418 265 HH21 ARG 36 HH22 ARG 36 0.564 -15.581 -6.551 266 HH22 ARG 36 HH21 ARG 36 1.598 -15.809 -5.163 267 H THR 37 H THR 37 -2.309 -10.533 -3.557 268 HA THR 37 HA THR 37 -1.760 -11.073 -0.835 269 HB THR 37 HB THR 37 -2.523 -9.092 -0.025 270 HG1 THR 37 HG1 THR 37 -3.824 -10.148 1.078 271 HG21 THR 37 HG21 THR 37 -3.209 -7.828 -1.930 272 HG22 THR 37 HG22 THR 37 -4.615 -7.888 -0.863 273 HG23 THR 37 HG23 THR 37 -4.528 -8.963 -2.282 274 HA PRO 38 HA PRO 38 -4.711 -14.257 -2.064 275 HB2 PRO 38 HB1 PRO 38 -5.909 -14.908 0.348 276 HB3 PRO 38 HB2 PRO 38 -4.278 -15.424 -0.195 277 HG2 PRO 38 HG1 PRO 38 -4.957 -13.119 1.626 278 HG3 PRO 38 HG2 PRO 38 -3.728 -14.412 1.885 279 HD2 PRO 38 HD1 PRO 38 -3.049 -11.991 0.864 280 HD3 PRO 38 HD2 PRO 38 -2.285 -13.458 0.226 281 H VAL 39 H VAL 39 -5.688 -11.259 -0.721 282 HA VAL 39 HA VAL 39 -8.409 -11.655 -1.944 283 HB VAL 39 HB VAL 39 -9.493 -10.427 -0.132 284 HG11 VAL 39 HG11 VAL 39 -7.981 -12.846 0.908 285 HG12 VAL 39 HG12 VAL 39 -9.469 -12.159 1.564 286 HG13 VAL 39 HG13 VAL 39 -9.474 -12.868 -0.062 287 HG21 VAL 39 HG21 VAL 39 -7.523 -9.113 0.729 288 HG22 VAL 39 HG22 VAL 39 -8.362 -10.001 2.009 289 HG23 VAL 39 HG23 VAL 39 -6.830 -10.622 1.357 290 H ALA 40 H ALA 40 -6.325 -10.415 -3.324 291 HA ALA 40 HA ALA 40 -8.067 -8.460 -4.452 292 HB1 ALA 40 HB1 ALA 40 -7.005 -6.941 -2.739 293 HB2 ALA 40 HB2 ALA 40 -5.434 -7.250 -3.507 294 HB3 ALA 40 HB3 ALA 40 -6.720 -6.455 -4.418 295 H GLU 41 H GLU 41 -7.462 -7.961 -6.587 296 HA GLU 41 HA GLU 41 -5.312 -9.709 -7.758 297 HB2 GLU 41 HB1 GLU 41 -7.491 -10.597 -8.040 298 HB3 GLU 41 HB2 GLU 41 -8.115 -9.095 -8.710 299 HG2 GLU 41 HG1 GLU 41 -6.860 -9.401 -10.748 300 HG3 GLU 41 HG2 GLU 41 -5.833 -10.657 -10.006 301 H ARG 42 H ARG 42 -7.473 -6.939 -8.625 302 HA ARG 42 HA ARG 42 -5.330 -5.662 -10.215 303 HB2 ARG 42 HB1 ARG 42 -8.267 -5.181 -9.787 304 HB3 ARG 42 HB2 ARG 42 -7.253 -3.817 -10.307 305 HG2 ARG 42 HG1 ARG 42 -7.314 -6.485 -11.762 306 HG3 ARG 42 HG2 ARG 42 -8.358 -5.094 -12.175 307 HD2 ARG 42 HD1 ARG 42 -6.324 -3.701 -12.510 308 HD3 ARG 42 HD2 ARG 42 -5.304 -5.123 -12.208 309 HE ARG 42 HE ARG 42 -7.007 -5.925 -14.223 310 HH11 ARG 42 HH12 ARG 42 -4.647 -3.300 -13.874 311 HH12 ARG 42 HH11 ARG 42 -4.319 -3.237 -15.581 312 HH21 ARG 42 HH22 ARG 42 -6.531 -5.797 -16.402 313 HH22 ARG 42 HH21 ARG 42 -5.373 -4.652 -17.008 314 H VAL 43 H VAL 43 -4.039 -5.879 -8.302 315 HA VAL 43 HA VAL 43 -4.330 -3.741 -6.295 316 HB VAL 43 HB VAL 43 -3.282 -5.943 -5.778 317 HG11 VAL 43 HG11 VAL 43 -1.055 -6.444 -6.322 318 HG12 VAL 43 HG12 VAL 43 -1.841 -6.100 -7.860 319 HG13 VAL 43 HG13 VAL 43 -0.747 -4.898 -7.126 320 HG21 VAL 43 HG21 VAL 43 -1.503 -3.558 -5.144 321 HG22 VAL 43 HG22 VAL 43 -3.036 -3.945 -4.326 322 HG23 VAL 43 HG23 VAL 43 -1.674 -5.067 -4.224 323 H GLU 44 H GLU 44 -2.922 -1.961 -6.175 324 HA GLU 44 HA GLU 44 -1.597 -0.907 -8.593 325 HB2 GLU 44 HB1 GLU 44 -4.384 -0.731 -8.037 326 HB3 GLU 44 HB2 GLU 44 -3.744 0.830 -7.530 327 HG2 GLU 44 HG1 GLU 44 -2.958 -0.275 -10.230 328 HG3 GLU 44 HG2 GLU 44 -4.591 0.410 -9.997 329 H LEU 45 H LEU 45 -0.648 1.332 -7.973 330 HA LEU 45 HA LEU 45 -0.731 1.807 -5.096 331 HB2 LEU 45 HB1 LEU 45 1.434 2.005 -4.511 332 HB3 LEU 45 HB2 LEU 45 1.320 0.435 -5.259 333 HG LEU 45 HG LEU 45 2.472 2.950 -6.541 334 HD11 LEU 45 HD11 LEU 45 3.715 2.302 -4.562 335 HD12 LEU 45 HD12 LEU 45 4.672 1.982 -6.020 336 HD13 LEU 45 HD13 LEU 45 3.887 0.633 -5.161 337 HD21 LEU 45 HD21 LEU 45 3.570 1.214 -8.093 338 HD22 LEU 45 HD22 LEU 45 1.806 1.257 -8.253 339 HD23 LEU 45 HD23 LEU 45 2.586 -0.040 -7.321 340 H HIS 46 H HIS 46 -0.750 3.660 -4.428 341 HA HIS 46 HA HIS 46 -0.691 5.902 -6.406 342 HB2 HIS 46 HB1 HIS 46 -2.493 5.242 -4.045 343 HB3 HIS 46 HB2 HIS 46 -2.608 6.730 -4.972 344 HD2 HIS 46 HD2 HIS 46 -2.228 4.414 -7.720 345 HE1 HIS 46 HE1 HIS 46 -6.268 3.793 -6.621 346 HE2 HIS 46 HE2 HIS 46 -4.472 3.484 -8.516 347 H GLU 47 H GLU 47 -0.126 7.795 -5.795 348 HA GLU 47 HA GLU 47 1.094 8.278 -3.135 349 HB2 GLU 47 HB1 GLU 47 1.943 10.307 -4.015 350 HB3 GLU 47 HB2 GLU 47 2.348 8.909 -5.077 351 HG2 GLU 47 HG1 GLU 47 1.983 10.805 -6.433 352 HG3 GLU 47 HG2 GLU 47 0.689 9.655 -6.707 353 H THR 48 H THR 48 0.421 10.657 -2.429 354 HA THR 48 HA THR 48 -2.380 11.381 -2.940 355 HB THR 48 HB THR 48 -1.481 10.345 -0.217 356 HG1 THR 48 HG1 THR 48 -2.577 9.303 -2.174 357 HG21 THR 48 HG21 THR 48 -2.665 12.445 0.281 358 HG22 THR 48 HG22 THR 48 -3.710 11.063 0.639 359 HG23 THR 48 HG23 THR 48 -3.971 12.002 -0.847 360 H PHE 49 H PHE 49 -2.649 13.517 -2.686 361 HA PHE 49 HA PHE 49 -0.539 15.164 -1.421 362 HB2 PHE 49 HB1 PHE 49 -0.192 16.448 -3.436 363 HB3 PHE 49 HB2 PHE 49 0.212 14.759 -3.700 364 HD1 PHE 49 HD2 PHE 49 -1.695 13.309 -4.896 365 HD2 PHE 49 HD1 PHE 49 -1.505 17.606 -4.990 366 HE1 PHE 49 HE2 PHE 49 -2.998 13.301 -6.952 367 HE2 PHE 49 HE1 PHE 49 -2.878 17.606 -7.050 368 HZ PHE 49 HZ PHE 49 -3.624 15.436 -8.060 369 H MET 50 H MET 50 -0.958 17.436 -1.563 370 HA MET 50 HA MET 50 -3.817 18.160 -1.196 371 HB2 MET 50 HB1 MET 50 -2.226 18.548 0.702 372 HB3 MET 50 HB2 MET 50 -1.296 19.652 -0.331 373 HG2 MET 50 HG1 MET 50 -3.259 21.067 -0.637 374 HG3 MET 50 HG2 MET 50 -4.260 19.925 0.265 375 HE1 MET 50 HE1 MET 50 -3.557 20.572 3.917 376 HE2 MET 50 HE2 MET 50 -4.653 19.925 2.676 377 HE3 MET 50 HE3 MET 50 -3.052 19.185 2.928 378 H ARG 51 H ARG 51 -4.739 19.624 -2.538 379 HA ARG 51 HA ARG 51 -3.114 21.190 -4.460 380 HB2 ARG 51 HB1 ARG 51 -4.548 20.365 -6.347 381 HB3 ARG 51 HB2 ARG 51 -3.412 19.178 -5.667 382 HG2 ARG 51 HG1 ARG 51 -5.128 17.938 -4.651 383 HG3 ARG 51 HG2 ARG 51 -6.284 19.288 -4.720 384 HD2 ARG 51 HD1 ARG 51 -6.422 19.057 -7.172 385 HD3 ARG 51 HD2 ARG 51 -5.326 17.657 -7.085 386 HE ARG 51 HE ARG 51 -7.185 16.864 -5.347 387 HH11 ARG 51 HH12 ARG 51 -7.885 18.379 -8.469 388 HH12 ARG 51 HH11 ARG 51 -9.467 17.661 -8.538 389 HH21 ARG 51 HH22 ARG 51 -9.152 16.084 -5.434 390 HH22 ARG 51 HH21 ARG 51 -10.209 16.371 -6.804 391 H GLU 52 H GLU 52 -4.244 22.763 -5.707 392 HA GLU 52 HA GLU 52 -6.665 23.922 -4.592 393 HB2 GLU 52 HB1 GLU 52 -4.479 25.029 -5.508 394 HB3 GLU 52 HB2 GLU 52 -5.086 24.578 -7.116 395 HG2 GLU 52 HG1 GLU 52 -5.808 26.778 -6.832 396 HG3 GLU 52 HG2 GLU 52 -7.240 25.834 -6.433 397 H VAL 53 H VAL 53 -8.641 23.850 -5.684 398 HA VAL 53 HA VAL 53 -8.599 23.370 -8.613 399 HB VAL 53 HB VAL 53 -10.707 22.199 -6.720 400 HG11 VAL 53 HG11 VAL 53 -10.671 22.350 -9.771 401 HG12 VAL 53 HG12 VAL 53 -11.793 21.346 -8.824 402 HG13 VAL 53 HG13 VAL 53 -11.852 23.096 -8.668 403 HG21 VAL 53 HG21 VAL 53 -8.771 20.703 -6.913 404 HG22 VAL 53 HG22 VAL 53 -10.159 20.031 -7.762 405 HG23 VAL 53 HG23 VAL 53 -8.848 20.798 -8.687 406 H GLU 54 H GLU 54 -9.266 25.339 -9.418 407 HA GLU 54 HA GLU 54 -10.254 27.383 -9.654 408 HB2 GLU 54 HB1 GLU 54 -12.409 26.215 -7.888 409 HB3 GLU 54 HB2 GLU 54 -12.590 27.638 -8.936 410 HG2 GLU 54 HG1 GLU 54 -12.597 26.332 -10.904 411 HG3 GLU 54 HG2 GLU 54 -12.022 24.882 -10.060 412 H GLY 55 H GLY 55 -8.489 27.079 -7.165 413 HA2 GLY 55 HA3 GLY 55 -7.792 28.669 -5.550 414 HA3 GLY 55 HA2 GLY 55 -9.343 29.520 -5.724 415 H LYS 56 H LYS 56 -9.931 26.258 -5.391 416 HA LYS 56 HA LYS 56 -10.790 26.504 -2.574 417 HB2 LYS 56 HB1 LYS 56 -11.878 24.548 -4.606 418 HB3 LYS 56 HB2 LYS 56 -12.592 25.033 -3.058 419 HG2 LYS 56 HG1 LYS 56 -13.299 27.146 -3.957 420 HG3 LYS 56 HG2 LYS 56 -12.322 26.934 -5.435 421 HD2 LYS 56 HD1 LYS 56 -13.707 24.929 -6.007 422 HD3 LYS 56 HD2 LYS 56 -14.788 25.335 -4.670 423 HE2 LYS 56 HE1 LYS 56 -15.362 27.468 -5.711 424 HE3 LYS 56 HE2 LYS 56 -14.037 27.266 -6.906 425 HZ1 LYS 56 HZ1 LYS 56 -16.609 25.799 -6.855 426 HZ2 LYS 56 HZ2 LYS 56 -15.267 25.251 -7.659 427 HZ3 LYS 56 HZ3 LYS 56 -15.854 26.616 -8.108 428 H LYS 57 H LYS 57 -9.620 25.416 -1.300 429 HA LYS 57 HA LYS 57 -7.525 23.654 -2.178 430 HB2 LYS 57 HB1 LYS 57 -8.222 24.889 0.519 431 HB3 LYS 57 HB2 LYS 57 -6.765 23.903 0.231 432 HG2 LYS 57 HG1 LYS 57 -5.968 25.376 -1.462 433 HG3 LYS 57 HG2 LYS 57 -7.538 26.246 -1.507 434 HD2 LYS 57 HD1 LYS 57 -7.101 27.348 0.549 435 HD3 LYS 57 HD2 LYS 57 -5.559 26.479 0.736 436 HE2 LYS 57 HE1 LYS 57 -5.362 28.819 -0.277 437 HE3 LYS 57 HE2 LYS 57 -4.641 27.492 -1.239 438 HZ1 LYS 57 HZ1 LYS 57 -7.231 28.832 -1.852 439 HZ2 LYS 57 HZ2 LYS 57 -6.638 27.514 -2.616 440 HZ3 LYS 57 HZ3 LYS 57 -5.827 28.842 -2.755 441 H VAL 58 H VAL 58 -7.412 21.618 -2.146 442 HA VAL 58 HA VAL 58 -9.187 19.827 -0.603 443 HB VAL 58 HB VAL 58 -10.431 20.766 -2.599 444 HG11 VAL 58 HG11 VAL 58 -8.586 19.006 -4.255 445 HG12 VAL 58 HG12 VAL 58 -9.999 19.909 -4.826 446 HG13 VAL 58 HG13 VAL 58 -8.575 20.784 -4.242 447 HG21 VAL 58 HG21 VAL 58 -10.186 17.747 -2.765 448 HG22 VAL 58 HG22 VAL 58 -11.051 18.609 -1.470 449 HG23 VAL 58 HG23 VAL 58 -11.567 18.772 -3.157 450 H MET 59 H MET 59 -8.772 17.454 -1.749 451 HA MET 59 HA MET 59 -5.789 17.112 -1.899 452 HB2 MET 59 HB1 MET 59 -7.866 15.447 -0.460 453 HB3 MET 59 HB2 MET 59 -6.179 14.947 -0.697 454 HG2 MET 59 HG1 MET 59 -6.751 17.647 0.501 455 HG3 MET 59 HG2 MET 59 -6.958 16.214 1.515 456 HE1 MET 59 HE1 MET 59 -3.492 14.826 2.113 457 HE2 MET 59 HE2 MET 59 -5.012 15.213 2.950 458 HE3 MET 59 HE3 MET 59 -5.033 14.275 1.435 459 H GLY 60 H GLY 60 -5.096 15.127 -2.936 460 HA2 GLY 60 HA3 GLY 60 -6.833 14.086 -5.094 461 HA3 GLY 60 HA2 GLY 60 -5.323 14.915 -5.537 462 H MET 61 H MET 61 -5.675 12.334 -6.302 463 HA MET 61 HA MET 61 -3.472 10.913 -5.026 464 HB2 MET 61 HB1 MET 61 -5.106 10.109 -3.559 465 HB3 MET 61 HB2 MET 61 -6.362 10.117 -4.806 466 HG2 MET 61 HG1 MET 61 -4.948 8.212 -5.868 467 HG3 MET 61 HG2 MET 61 -4.209 8.117 -4.273 468 HE1 MET 61 HE1 MET 61 -6.519 8.583 -2.277 469 HE2 MET 61 HE2 MET 61 -7.856 9.001 -3.380 470 HE3 MET 61 HE3 MET 61 -7.939 7.515 -2.409 471 H ARG 62 H ARG 62 -2.396 9.953 -6.446 472 HA ARG 62 HA ARG 62 -3.427 9.183 -9.129 473 HB2 ARG 62 HB1 ARG 62 -1.292 11.184 -8.328 474 HB3 ARG 62 HB2 ARG 62 -1.243 10.441 -9.926 475 HG2 ARG 62 HG1 ARG 62 -3.546 12.101 -8.841 476 HG3 ARG 62 HG2 ARG 62 -2.228 12.706 -9.881 477 HD2 ARG 62 HD1 ARG 62 -4.047 12.390 -11.337 478 HD3 ARG 62 HD2 ARG 62 -3.012 10.982 -11.608 479 HE ARG 62 HE ARG 62 -4.970 10.502 -9.539 480 HH11 ARG 62 HH12 ARG 62 -4.874 10.702 -13.066 481 HH12 ARG 62 HH11 ARG 62 -6.044 9.427 -13.267 482 HH21 ARG 62 HH22 ARG 62 -6.402 8.889 -9.831 483 HH22 ARG 62 HH21 ARG 62 -6.937 8.415 -11.421 484 HA PRO 63 HA PRO 63 -0.887 5.718 -8.413 485 HB2 PRO 63 HB1 PRO 63 -0.536 4.604 -10.841 486 HB3 PRO 63 HB2 PRO 63 -2.159 4.745 -10.094 487 HG2 PRO 63 HG1 PRO 63 -0.889 6.626 -12.104 488 HG3 PRO 63 HG2 PRO 63 -2.518 5.863 -12.180 489 HD2 PRO 63 HD1 PRO 63 -2.140 8.402 -11.212 490 HD3 PRO 63 HD2 PRO 63 -3.359 7.296 -10.506 491 H VAL 64 H VAL 64 1.262 4.820 -8.510 492 HA VAL 64 HA VAL 64 3.230 6.523 -10.014 493 HB VAL 64 HB VAL 64 4.813 6.440 -8.128 494 HG11 VAL 64 HG11 VAL 64 3.352 8.411 -8.620 495 HG12 VAL 64 HG12 VAL 64 2.229 7.836 -7.366 496 HG13 VAL 64 HG13 VAL 64 3.893 8.303 -6.947 497 HG21 VAL 64 HG21 VAL 64 4.054 6.005 -5.840 498 HG22 VAL 64 HG22 VAL 64 2.490 5.430 -6.443 499 HG23 VAL 64 HG23 VAL 64 3.998 4.555 -6.834 500 HA PRO 65 HA PRO 65 4.542 2.757 -11.579 501 HB2 PRO 65 HB1 PRO 65 7.060 3.167 -12.449 502 HB3 PRO 65 HB2 PRO 65 5.680 4.120 -13.074 503 HG2 PRO 65 HG1 PRO 65 7.636 4.897 -10.892 504 HG3 PRO 65 HG2 PRO 65 7.128 5.869 -12.319 505 HD2 PRO 65 HD1 PRO 65 5.986 6.162 -9.840 506 HD3 PRO 65 HD2 PRO 65 5.042 6.353 -11.337 507 H PHE 66 H PHE 66 6.373 3.840 -8.853 508 HA PHE 66 HA PHE 66 6.591 1.331 -7.596 509 HB2 PHE 66 HB1 PHE 66 8.994 0.928 -7.661 510 HB3 PHE 66 HB2 PHE 66 8.299 0.760 -9.261 511 HD1 PHE 66 HD1 PHE 66 10.436 2.773 -7.054 512 HD2 PHE 66 HD2 PHE 66 8.816 2.397 -11.010 513 HE1 PHE 66 HE1 PHE 66 11.971 4.551 -7.800 514 HE2 PHE 66 HE2 PHE 66 10.453 4.125 -11.830 515 HZ PHE 66 HZ PHE 66 12.021 5.204 -10.220 516 H LEU 67 H LEU 67 7.909 1.459 -5.642 517 HA LEU 67 HA LEU 67 8.645 4.235 -4.759 518 HB2 LEU 67 HB1 LEU 67 7.958 1.892 -2.945 519 HB3 LEU 67 HB2 LEU 67 8.365 3.538 -2.442 520 HG LEU 67 HG LEU 67 5.834 2.532 -3.771 521 HD11 LEU 67 HD11 LEU 67 6.408 3.918 -1.122 522 HD12 LEU 67 HD12 LEU 67 6.073 2.188 -1.344 523 HD13 LEU 67 HD13 LEU 67 4.808 3.381 -1.695 524 HD21 LEU 67 HD21 LEU 67 6.300 4.742 -4.775 525 HD22 LEU 67 HD22 LEU 67 6.546 5.436 -3.158 526 HD23 LEU 67 HD23 LEU 67 4.948 4.826 -3.656 527 H GLU 68 H GLU 68 10.620 4.370 -3.476 528 HA GLU 68 HA GLU 68 12.439 2.045 -3.765 529 HB2 GLU 68 HB1 GLU 68 12.942 3.322 -5.700 530 HB3 GLU 68 HB2 GLU 68 12.950 4.849 -4.805 531 HG2 GLU 68 HG1 GLU 68 15.017 4.388 -3.783 532 HG3 GLU 68 HG2 GLU 68 14.867 2.631 -4.054 533 H VAL 69 H VAL 69 14.041 1.897 -2.274 534 HA VAL 69 HA VAL 69 14.054 3.890 -0.170 535 HB VAL 69 HB VAL 69 13.627 0.880 0.390 536 HG11 VAL 69 HG11 VAL 69 13.438 3.208 2.354 537 HG12 VAL 69 HG12 VAL 69 13.075 1.511 2.718 538 HG13 VAL 69 HG13 VAL 69 14.719 1.987 2.300 539 HG21 VAL 69 HG21 VAL 69 11.560 3.101 0.375 540 HG22 VAL 69 HG22 VAL 69 11.546 1.580 -0.538 541 HG23 VAL 69 HG23 VAL 69 11.298 1.564 1.208 542 HA PRO 70 HA PRO 70 18.392 2.857 -0.240 543 HB2 PRO 70 HB1 PRO 70 19.316 4.321 1.870 544 HB3 PRO 70 HB2 PRO 70 18.751 5.073 0.349 545 HG2 PRO 70 HG1 PRO 70 17.176 4.660 2.909 546 HG3 PRO 70 HG2 PRO 70 17.349 6.175 1.951 547 HD2 PRO 70 HD1 PRO 70 15.195 4.529 1.659 548 HD3 PRO 70 HD2 PRO 70 15.920 5.362 0.254 549 HA PRO 71 HA PRO 71 18.985 -0.539 2.538 550 HB2 PRO 71 HB1 PRO 71 21.664 -0.414 3.199 551 HB3 PRO 71 HB2 PRO 71 20.975 -1.021 1.661 552 HG2 PRO 71 HG1 PRO 71 22.141 1.694 2.235 553 HG3 PRO 71 HG2 PRO 71 22.378 0.650 0.784 554 HD2 PRO 71 HD1 PRO 71 20.625 2.733 0.793 555 HD3 PRO 71 HD2 PRO 71 20.288 1.216 -0.088 556 H LYS 72 H LYS 72 18.764 -1.057 4.613 557 HA LYS 72 HA LYS 72 18.266 -0.887 6.812 558 HB2 LYS 72 HB1 LYS 72 20.544 1.069 6.677 559 HB3 LYS 72 HB2 LYS 72 19.650 0.816 8.197 560 HG2 LYS 72 HG1 LYS 72 21.824 -0.486 7.783 561 HG3 LYS 72 HG2 LYS 72 20.435 -1.319 8.494 562 HD2 LYS 72 HD1 LYS 72 19.939 -2.365 6.342 563 HD3 LYS 72 HD2 LYS 72 21.274 -1.469 5.574 564 HE2 LYS 72 HE1 LYS 72 22.917 -2.678 6.814 565 HE3 LYS 72 HE2 LYS 72 21.710 -3.404 7.886 566 HZ1 LYS 72 HZ1 LYS 72 22.585 -4.750 5.853 567 HZ2 LYS 72 HZ2 LYS 72 21.633 -3.807 4.978 568 HZ3 LYS 72 HZ3 LYS 72 20.936 -4.757 6.104 569 H GLY 73 H GLY 73 17.556 1.519 4.752 570 HA2 GLY 73 HA3 GLY 73 16.356 3.473 6.520 571 HA3 GLY 73 HA2 GLY 73 16.220 3.419 4.748 572 H ARG 74 H ARG 74 14.196 4.096 6.682 573 HA ARG 74 HA ARG 74 12.114 2.135 5.862 574 HB2 ARG 74 HB1 ARG 74 12.170 4.099 8.167 575 HB3 ARG 74 HB2 ARG 74 10.657 3.396 7.533 576 HG2 ARG 74 HG1 ARG 74 11.456 1.141 8.050 577 HG3 ARG 74 HG2 ARG 74 12.984 1.790 8.670 578 HD2 ARG 74 HD1 ARG 74 12.075 2.634 10.565 579 HD3 ARG 74 HD2 ARG 74 10.492 2.869 9.808 580 HE ARG 74 HE ARG 74 11.245 0.038 10.229 581 HH11 ARG 74 HH12 ARG 74 9.437 2.785 11.609 582 HH12 ARG 74 HH11 ARG 74 8.379 1.659 12.402 583 HH21 ARG 74 HH22 ARG 74 9.905 -1.188 11.420 584 HH22 ARG 74 HH21 ARG 74 8.675 -0.396 12.439 585 H VAL 75 H VAL 75 10.405 2.950 4.692 586 HA VAL 75 HA VAL 75 9.982 5.853 4.362 587 HB VAL 75 HB VAL 75 10.384 4.030 1.967 588 HG11 VAL 75 HG11 VAL 75 9.666 5.959 0.538 589 HG12 VAL 75 HG12 VAL 75 8.348 5.307 1.508 590 HG13 VAL 75 HG13 VAL 75 9.146 6.816 2.004 591 HG21 VAL 75 HG21 VAL 75 11.950 5.780 1.164 592 HG22 VAL 75 HG22 VAL 75 11.657 6.726 2.641 593 HG23 VAL 75 HG23 VAL 75 12.469 5.154 2.727 594 H GLU 76 H GLU 76 7.840 6.096 4.795 595 HA GLU 76 HA GLU 76 6.279 3.649 5.001 596 HB2 GLU 76 HB1 GLU 76 5.144 6.295 5.754 597 HB3 GLU 76 HB2 GLU 76 4.906 4.671 6.460 598 HG2 GLU 76 HG1 GLU 76 6.135 5.814 8.086 599 HG3 GLU 76 HG2 GLU 76 7.367 4.869 7.246 600 H LEU 77 H LEU 77 4.667 2.890 3.837 601 HA LEU 77 HA LEU 77 3.206 4.515 1.858 602 HB2 LEU 77 HB1 LEU 77 2.852 1.643 2.790 603 HB3 LEU 77 HB2 LEU 77 1.776 2.488 1.648 604 HG LEU 77 HG LEU 77 4.403 2.795 0.628 605 HD11 LEU 77 HD11 LEU 77 5.080 0.904 2.131 606 HD12 LEU 77 HD12 LEU 77 5.251 0.532 0.404 607 HD13 LEU 77 HD13 LEU 77 3.877 -0.124 1.309 608 HD21 LEU 77 HD21 LEU 77 3.528 1.328 -1.212 609 HD22 LEU 77 HD22 LEU 77 2.401 2.611 -0.753 610 HD23 LEU 77 HD23 LEU 77 2.123 0.945 -0.201 611 H LYS 78 H LYS 78 2.872 6.059 3.605 612 HA LYS 78 HA LYS 78 0.826 5.410 5.628 613 HB2 LYS 78 HB1 LYS 78 1.360 7.709 6.439 614 HB3 LYS 78 HB2 LYS 78 2.779 6.633 6.297 615 HG2 LYS 78 HG1 LYS 78 3.159 7.769 3.996 616 HG3 LYS 78 HG2 LYS 78 1.991 8.986 4.521 617 HD2 LYS 78 HD1 LYS 78 3.448 9.882 6.090 618 HD3 LYS 78 HD2 LYS 78 4.232 8.308 6.420 619 HE2 LYS 78 HE1 LYS 78 5.893 9.550 5.358 620 HE3 LYS 78 HE2 LYS 78 5.274 8.448 4.120 621 HZ1 LYS 78 HZ1 LYS 78 4.714 11.330 4.470 622 HZ2 LYS 78 HZ2 LYS 78 3.845 10.418 3.429 623 HZ3 LYS 78 HZ3 LYS 78 5.471 10.624 3.195 624 HA PRO 79 HA PRO 79 -2.598 7.441 3.490 625 HB2 PRO 79 HB1 PRO 79 -3.981 8.621 5.547 626 HB3 PRO 79 HB2 PRO 79 -4.020 6.864 5.197 627 HG2 PRO 79 HG1 PRO 79 -2.283 8.317 7.207 628 HG3 PRO 79 HG2 PRO 79 -3.284 6.844 7.463 629 HD2 PRO 79 HD1 PRO 79 -0.615 6.665 6.963 630 HD3 PRO 79 HD2 PRO 79 -1.761 5.505 6.223 631 H GLY 80 H GLY 80 -0.362 9.280 5.534 632 HA2 GLY 80 HA3 GLY 80 -0.884 11.810 4.143 633 HA3 GLY 80 HA2 GLY 80 0.475 11.436 5.227 634 H GLY 81 H GLY 81 -0.743 9.999 2.177 635 HA2 GLY 81 HA3 GLY 81 0.616 10.645 0.102 636 HA3 GLY 81 HA2 GLY 81 2.004 10.053 1.043 637 H TYR 82 H TYR 82 2.641 8.036 0.650 638 HA TYR 82 HA TYR 82 1.365 6.808 -1.563 639 HB2 TYR 82 HB1 TYR 82 3.698 5.902 0.124 640 HB3 TYR 82 HB2 TYR 82 3.178 5.116 -1.386 641 HD1 TYR 82 HD2 TYR 82 2.915 6.700 -3.470 642 HD2 TYR 82 HD1 TYR 82 5.390 7.519 -0.025 643 HE1 TYR 82 HE2 TYR 82 4.395 8.091 -4.852 644 HE2 TYR 82 HE1 TYR 82 6.852 8.974 -1.421 645 HH TYR 82 HH TYR 82 7.293 9.746 -3.566 646 H HIS 83 H HIS 83 0.383 4.852 -1.873 647 HA HIS 83 HA HIS 83 0.104 2.911 0.287 648 HB2 HIS 83 HB1 HIS 83 -2.293 3.068 0.614 649 HB3 HIS 83 HB2 HIS 83 -1.455 4.548 1.112 650 HD1 HIS 83 HD1 HIS 83 -1.827 6.750 -0.510 651 HD2 HIS 83 HD2 HIS 83 -4.041 3.256 -1.395 652 HE1 HIS 83 HE1 HIS 83 -3.566 7.393 -2.256 653 H PHE 84 H PHE 84 -0.964 0.949 -0.270 654 HA PHE 84 HA PHE 84 -1.127 0.486 -3.189 655 HB2 PHE 84 HB1 PHE 84 -1.510 -1.286 -0.759 656 HB3 PHE 84 HB2 PHE 84 -1.847 -1.815 -2.428 657 HD1 PHE 84 HD1 PHE 84 0.036 -1.492 -4.172 658 HD2 PHE 84 HD2 PHE 84 0.705 -1.583 0.089 659 HE1 PHE 84 HE1 PHE 84 2.403 -2.078 -4.561 660 HE2 PHE 84 HE2 PHE 84 3.073 -2.218 -0.302 661 HZ PHE 84 HZ PHE 84 3.909 -2.487 -2.634 662 H MET 85 H MET 85 -2.995 0.362 -4.296 663 HA MET 85 HA MET 85 -5.626 0.705 -2.913 664 HB2 MET 85 HB1 MET 85 -4.837 2.205 -4.986 665 HB3 MET 85 HB2 MET 85 -5.522 0.824 -5.867 666 HG2 MET 85 HG1 MET 85 -7.357 2.279 -5.546 667 HG3 MET 85 HG2 MET 85 -7.566 1.047 -4.300 668 HE1 MET 85 HE1 MET 85 -9.044 2.252 -2.458 669 HE2 MET 85 HE2 MET 85 -9.014 4.016 -2.281 670 HE3 MET 85 HE3 MET 85 -9.379 3.280 -3.859 671 H LEU 86 H LEU 86 -6.949 -1.068 -2.985 672 HA LEU 86 HA LEU 86 -5.964 -3.550 -4.364 673 HB2 LEU 86 HB1 LEU 86 -7.306 -3.005 -1.702 674 HB3 LEU 86 HB2 LEU 86 -7.399 -4.608 -2.477 675 HG LEU 86 HG LEU 86 -4.973 -4.851 -2.316 676 HD11 LEU 86 HD11 LEU 86 -5.007 -2.154 -0.888 677 HD12 LEU 86 HD12 LEU 86 -4.106 -2.588 -2.361 678 HD13 LEU 86 HD13 LEU 86 -3.660 -3.313 -0.824 679 HD21 LEU 86 HD21 LEU 86 -6.308 -4.071 0.320 680 HD22 LEU 86 HD22 LEU 86 -4.898 -5.138 0.137 681 HD23 LEU 86 HD23 LEU 86 -6.469 -5.640 -0.504 682 H LEU 87 H LEU 87 -7.241 -3.897 -6.157 683 HA LEU 87 HA LEU 87 -10.204 -3.804 -5.701 684 HB2 LEU 87 HB1 LEU 87 -8.673 -3.377 -8.293 685 HB3 LEU 87 HB2 LEU 87 -10.439 -3.594 -8.149 686 HG LEU 87 HG LEU 87 -10.354 -1.487 -6.644 687 HD11 LEU 87 HD11 LEU 87 -8.591 0.165 -7.322 688 HD12 LEU 87 HD12 LEU 87 -7.707 -1.144 -8.134 689 HD13 LEU 87 HD13 LEU 87 -7.925 -1.156 -6.374 690 HD21 LEU 87 HD21 LEU 87 -9.819 -1.337 -9.638 691 HD22 LEU 87 HD22 LEU 87 -10.577 -0.059 -8.653 692 HD23 LEU 87 HD23 LEU 87 -11.398 -1.610 -8.864 693 H GLY 88 H GLY 88 -11.414 -5.468 -6.631 694 HA2 GLY 88 HA3 GLY 88 -11.853 -7.609 -7.443 695 HA3 GLY 88 HA2 GLY 88 -10.164 -7.713 -7.991 696 H LEU 89 H LEU 89 -11.425 -7.197 -4.690 697 HA LEU 89 HA LEU 89 -9.947 -9.220 -3.440 698 HB2 LEU 89 HB1 LEU 89 -11.768 -9.096 -1.652 699 HB3 LEU 89 HB2 LEU 89 -10.747 -7.683 -1.986 700 HG LEU 89 HG LEU 89 -12.642 -6.656 -3.235 701 HD11 LEU 89 HD11 LEU 89 -14.183 -9.118 -2.298 702 HD12 LEU 89 HD12 LEU 89 -13.921 -8.580 -3.977 703 HD13 LEU 89 HD13 LEU 89 -14.938 -7.625 -2.901 704 HD21 LEU 89 HD21 LEU 89 -13.997 -6.125 -1.253 705 HD22 LEU 89 HD22 LEU 89 -12.274 -6.147 -0.863 706 HD23 LEU 89 HD23 LEU 89 -13.305 -7.516 -0.390 707 H LYS 90 H LYS 90 -10.468 -11.058 -2.449 708 HA LYS 90 HA LYS 90 -12.052 -12.898 -4.224 709 HB2 LYS 90 HB1 LYS 90 -9.567 -13.454 -2.601 710 HB3 LYS 90 HB2 LYS 90 -10.359 -14.564 -3.739 711 HG2 LYS 90 HG1 LYS 90 -8.985 -11.929 -4.442 712 HG3 LYS 90 HG2 LYS 90 -8.360 -13.578 -4.720 713 HD2 LYS 90 HD1 LYS 90 -10.196 -14.042 -6.265 714 HD3 LYS 90 HD2 LYS 90 -10.861 -12.413 -5.977 715 HE2 LYS 90 HE1 LYS 90 -9.055 -11.351 -7.057 716 HE3 LYS 90 HE2 LYS 90 -8.059 -12.801 -7.121 717 HZ1 LYS 90 HZ1 LYS 90 -9.848 -13.721 -8.638 718 HZ2 LYS 90 HZ2 LYS 90 -9.009 -12.479 -9.247 719 HZ3 LYS 90 HZ3 LYS 90 -10.492 -12.184 -8.703 720 H ARG 91 H ARG 91 -11.968 -11.700 -1.075 721 HA ARG 91 HA ARG 91 -14.087 -13.533 -0.187 722 HB2 ARG 91 HB1 ARG 91 -11.574 -12.971 1.448 723 HB3 ARG 91 HB2 ARG 91 -13.047 -13.723 2.092 724 HG2 ARG 91 HG1 ARG 91 -12.736 -15.675 0.702 725 HG3 ARG 91 HG2 ARG 91 -11.358 -14.914 -0.146 726 HD2 ARG 91 HD1 ARG 91 -10.514 -16.510 1.422 727 HD3 ARG 91 HD2 ARG 91 -10.066 -14.860 1.908 728 HE ARG 91 HE ARG 91 -11.238 -15.136 3.855 729 HH11 ARG 91 HH12 ARG 91 -12.419 -17.663 1.700 730 HH12 ARG 91 HH11 ARG 91 -13.151 -18.570 2.990 731 HH21 ARG 91 HH22 ARG 91 -12.141 -16.357 5.494 732 HH22 ARG 91 HH21 ARG 91 -13.004 -17.816 5.127 733 HA PRO 92 HA PRO 92 -15.336 -9.478 1.517 734 HB2 PRO 92 HB1 PRO 92 -17.129 -10.203 3.441 735 HB3 PRO 92 HB2 PRO 92 -17.502 -10.323 1.693 736 HG2 PRO 92 HG1 PRO 92 -16.520 -12.518 3.539 737 HG3 PRO 92 HG2 PRO 92 -17.899 -12.579 2.386 738 HD2 PRO 92 HD1 PRO 92 -15.415 -13.557 1.757 739 HD3 PRO 92 HD2 PRO 92 -16.449 -12.760 0.534 740 H LEU 93 H LEU 93 -14.982 -8.254 3.514 741 HA LEU 93 HA LEU 93 -13.211 -9.389 5.527 742 HB2 LEU 93 HB1 LEU 93 -11.418 -7.826 4.959 743 HB3 LEU 93 HB2 LEU 93 -11.730 -9.023 3.677 744 HG LEU 93 HG LEU 93 -13.171 -6.986 2.660 745 HD11 LEU 93 HD11 LEU 93 -12.107 -4.820 3.026 746 HD12 LEU 93 HD12 LEU 93 -10.964 -5.525 4.182 747 HD13 LEU 93 HD13 LEU 93 -12.690 -5.423 4.583 748 HD21 LEU 93 HD21 LEU 93 -11.324 -8.117 1.520 749 HD22 LEU 93 HD22 LEU 93 -10.137 -7.219 2.493 750 HD23 LEU 93 HD23 LEU 93 -11.176 -6.362 1.335 751 H LYS 94 H LYS 94 -13.147 -8.251 7.271 752 HA LYS 94 HA LYS 94 -15.138 -6.044 7.647 753 HB2 LYS 94 HB1 LYS 94 -14.377 -8.316 9.489 754 HB3 LYS 94 HB2 LYS 94 -15.654 -7.128 9.789 755 HG2 LYS 94 HG1 LYS 94 -17.026 -8.026 8.048 756 HG3 LYS 94 HG2 LYS 94 -15.703 -9.015 7.403 757 HD2 LYS 94 HD1 LYS 94 -15.723 -9.891 9.982 758 HD3 LYS 94 HD2 LYS 94 -17.429 -9.445 9.791 759 HE2 LYS 94 HE1 LYS 94 -17.155 -11.798 9.144 760 HE3 LYS 94 HE2 LYS 94 -17.454 -10.847 7.671 761 HZ1 LYS 94 HZ1 LYS 94 -14.826 -11.899 8.632 762 HZ2 LYS 94 HZ2 LYS 94 -14.878 -10.799 7.533 763 HZ3 LYS 94 HZ3 LYS 94 -15.574 -12.269 7.217 764 H ALA 95 H ALA 95 -14.901 -5.162 9.929 765 HA ALA 95 HA ALA 95 -12.104 -4.315 10.503 766 HB1 ALA 95 HB1 ALA 95 -13.789 -2.509 10.571 767 HB2 ALA 95 HB2 ALA 95 -14.729 -3.427 11.777 768 HB3 ALA 95 HB3 ALA 95 -13.109 -2.828 12.184 769 H GLY 96 H GLY 96 -11.013 -5.334 11.993 770 HA2 GLY 96 HA3 GLY 96 -10.555 -6.548 13.973 771 HA3 GLY 96 HA2 GLY 96 -12.272 -7.000 14.090 772 H GLU 97 H GLU 97 -10.015 -7.388 11.358 773 HA GLU 97 HA GLU 97 -9.848 -10.319 11.817 774 HB2 GLU 97 HB1 GLU 97 -10.337 -9.093 9.070 775 HB3 GLU 97 HB2 GLU 97 -10.051 -10.816 9.435 776 HG2 GLU 97 HG1 GLU 97 -12.083 -10.721 10.936 777 HG3 GLU 97 HG2 GLU 97 -12.446 -9.134 10.258 778 H GLU 98 H GLU 98 -8.033 -11.039 9.887 779 HA GLU 98 HA GLU 98 -5.865 -9.174 9.768 780 HB2 GLU 98 HB1 GLU 98 -5.594 -11.888 11.104 781 HB3 GLU 98 HB2 GLU 98 -4.237 -11.003 10.342 782 HG2 GLU 98 HG1 GLU 98 -4.957 -9.060 11.934 783 HG3 GLU 98 HG2 GLU 98 -5.772 -10.329 12.855 784 H VAL 99 H VAL 99 -4.738 -9.536 8.082 785 HA VAL 99 HA VAL 99 -5.303 -11.600 6.009 786 HB VAL 99 HB VAL 99 -5.982 -8.624 5.780 787 HG11 VAL 99 HG11 VAL 99 -5.821 -10.675 3.533 788 HG12 VAL 99 HG12 VAL 99 -6.538 -9.046 3.406 789 HG13 VAL 99 HG13 VAL 99 -4.819 -9.213 3.712 790 HG21 VAL 99 HG21 VAL 99 -8.210 -9.476 5.036 791 HG22 VAL 99 HG22 VAL 99 -7.672 -11.137 5.360 792 HG23 VAL 99 HG23 VAL 99 -7.831 -9.965 6.686 793 H GLU 100 H GLU 100 -3.498 -11.919 4.704 794 HA GLU 100 HA GLU 100 -1.189 -10.150 5.259 795 HB2 GLU 100 HB1 GLU 100 0.239 -11.784 4.346 796 HB3 GLU 100 HB2 GLU 100 -0.767 -12.496 5.605 797 HG2 GLU 100 HG1 GLU 100 -1.984 -13.778 4.047 798 HG3 GLU 100 HG2 GLU 100 -1.475 -12.765 2.671 799 H LEU 101 H LEU 101 0.224 -9.435 3.716 800 HA LEU 101 HA LEU 101 -0.719 -9.182 0.902 801 HB2 LEU 101 HB1 LEU 101 0.310 -7.097 2.759 802 HB3 LEU 101 HB2 LEU 101 1.094 -7.144 1.152 803 HG LEU 101 HG LEU 101 -1.238 -7.060 0.142 804 HD11 LEU 101 HD11 LEU 101 -3.022 -6.037 1.483 805 HD12 LEU 101 HD12 LEU 101 -2.004 -6.103 2.934 806 HD13 LEU 101 HD13 LEU 101 -2.572 -7.601 2.166 807 HD21 LEU 101 HD21 LEU 101 -1.360 -4.612 0.348 808 HD22 LEU 101 HD22 LEU 101 0.310 -5.159 0.129 809 HD23 LEU 101 HD23 LEU 101 -0.255 -4.664 1.741 810 H ASP 102 H ASP 102 0.947 -9.017 -0.623 811 HA ASP 102 HA ASP 102 3.550 -10.414 -0.107 812 HB2 ASP 102 HB1 ASP 102 1.620 -10.341 -2.448 813 HB3 ASP 102 HB2 ASP 102 3.164 -11.114 -2.582 814 H LEU 103 H LEU 103 5.225 -8.852 -0.512 815 HA LEU 103 HA LEU 103 4.586 -6.497 -2.231 816 HB2 LEU 103 HB1 LEU 103 6.618 -7.080 -0.068 817 HB3 LEU 103 HB2 LEU 103 6.822 -5.739 -1.233 818 HG LEU 103 HG LEU 103 4.489 -4.970 -0.508 819 HD11 LEU 103 HD11 LEU 103 3.690 -6.902 0.762 820 HD12 LEU 103 HD12 LEU 103 3.863 -5.519 1.833 821 HD13 LEU 103 HD13 LEU 103 5.102 -6.802 1.844 822 HD21 LEU 103 HD21 LEU 103 5.426 -3.757 1.441 823 HD22 LEU 103 HD22 LEU 103 6.565 -3.813 0.091 824 HD23 LEU 103 HD23 LEU 103 6.797 -4.888 1.486 825 H LEU 104 H LEU 104 5.460 -6.226 -4.183 826 HA LEU 104 HA LEU 104 7.375 -8.270 -5.196 827 HB2 LEU 104 HB1 LEU 104 5.501 -6.375 -6.641 828 HB3 LEU 104 HB2 LEU 104 6.506 -7.581 -7.416 829 HG LEU 104 HG LEU 104 4.071 -7.998 -5.647 830 HD11 LEU 104 HD11 LEU 104 3.638 -7.417 -7.999 831 HD12 LEU 104 HD12 LEU 104 3.145 -9.081 -7.654 832 HD13 LEU 104 HD13 LEU 104 4.657 -8.773 -8.534 833 HD21 LEU 104 HD21 LEU 104 4.336 -10.449 -6.018 834 HD22 LEU 104 HD22 LEU 104 5.625 -9.778 -5.013 835 HD23 LEU 104 HD23 LEU 104 5.942 -10.150 -6.724 836 H PHE 105 H PHE 105 9.378 -7.608 -4.997 837 HA PHE 105 HA PHE 105 10.149 -4.779 -5.604 838 HB2 PHE 105 HB1 PHE 105 11.708 -7.057 -4.378 839 HB3 PHE 105 HB2 PHE 105 12.315 -5.417 -4.675 840 HD1 PHE 105 HD1 PHE 105 11.552 -3.525 -3.317 841 HD2 PHE 105 HD2 PHE 105 10.009 -7.490 -2.598 842 HE1 PHE 105 HE1 PHE 105 10.697 -2.790 -1.120 843 HE2 PHE 105 HE2 PHE 105 9.146 -6.739 -0.412 844 HZ PHE 105 HZ PHE 105 9.496 -4.404 0.352 845 H ALA 106 H ALA 106 11.786 -4.324 -7.078 846 HA ALA 106 HA ALA 106 11.625 -5.526 -9.601 847 HB1 ALA 106 HB1 ALA 106 12.478 -3.244 -9.168 848 HB2 ALA 106 HB2 ALA 106 13.928 -3.931 -8.391 849 HB3 ALA 106 HB3 ALA 106 13.642 -4.186 -10.127 850 H GLY 107 H GLY 107 12.638 -7.143 -10.669 851 HA2 GLY 107 HA3 GLY 107 14.276 -8.817 -11.067 852 HA3 GLY 107 HA2 GLY 107 14.801 -8.700 -9.373 853 H GLY 108 H GLY 108 11.570 -8.757 -8.973 854 HA2 GLY 108 HA3 GLY 108 9.877 -10.405 -9.153 855 HA3 GLY 108 HA2 GLY 108 11.109 -11.631 -9.529 856 H LYS 109 H LYS 109 11.910 -9.646 -6.773 857 HA LYS 109 HA LYS 109 11.688 -11.955 -5.054 858 HB2 LYS 109 HB1 LYS 109 13.378 -9.889 -5.118 859 HB3 LYS 109 HB2 LYS 109 12.168 -9.192 -4.009 860 HG2 LYS 109 HG1 LYS 109 12.404 -11.220 -2.557 861 HG3 LYS 109 HG2 LYS 109 13.707 -11.765 -3.649 862 HD2 LYS 109 HD1 LYS 109 14.943 -9.641 -3.169 863 HD3 LYS 109 HD2 LYS 109 13.646 -9.154 -2.053 864 HE2 LYS 109 HE1 LYS 109 14.129 -11.151 -0.650 865 HE3 LYS 109 HE2 LYS 109 15.407 -11.635 -1.792 866 HZ1 LYS 109 HZ1 LYS 109 16.380 -10.467 0.050 867 HZ2 LYS 109 HZ2 LYS 109 15.363 -9.192 -0.103 868 HZ3 LYS 109 HZ3 LYS 109 16.488 -9.485 -1.261 869 H VAL 110 H VAL 110 10.079 -12.497 -3.857 870 HA VAL 110 HA VAL 110 7.787 -10.708 -3.264 871 HB VAL 110 HB VAL 110 7.951 -13.727 -2.960 872 HG11 VAL 110 HG11 VAL 110 5.455 -13.580 -2.718 873 HG12 VAL 110 HG12 VAL 110 6.303 -12.790 -1.390 874 HG13 VAL 110 HG13 VAL 110 5.584 -11.808 -2.687 875 HG21 VAL 110 HG21 VAL 110 7.987 -13.126 -5.334 876 HG22 VAL 110 HG22 VAL 110 6.417 -13.814 -4.907 877 HG23 VAL 110 HG23 VAL 110 6.586 -12.057 -5.109 878 H LEU 111 H LEU 111 7.498 -9.952 -1.264 879 HA LEU 111 HA LEU 111 8.562 -11.484 1.086 880 HB2 LEU 111 HB1 LEU 111 9.944 -9.474 0.729 881 HB3 LEU 111 HB2 LEU 111 8.468 -8.472 0.700 882 HG LEU 111 HG LEU 111 8.041 -9.039 3.071 883 HD11 LEU 111 HD11 LEU 111 10.728 -10.483 2.919 884 HD12 LEU 111 HD12 LEU 111 9.147 -11.229 3.248 885 HD13 LEU 111 HD13 LEU 111 9.847 -10.105 4.415 886 HD21 LEU 111 HD21 LEU 111 9.289 -7.003 2.476 887 HD22 LEU 111 HD22 LEU 111 10.819 -7.905 2.538 888 HD23 LEU 111 HD23 LEU 111 9.855 -7.672 4.013 889 H LYS 112 H LYS 112 6.823 -12.311 2.135 890 HA LYS 112 HA LYS 112 4.291 -10.774 1.951 891 HB2 LYS 112 HB1 LYS 112 3.096 -12.822 2.227 892 HB3 LYS 112 HB2 LYS 112 4.182 -12.802 0.816 893 HG2 LYS 112 HG1 LYS 112 5.810 -14.105 2.384 894 HG3 LYS 112 HG2 LYS 112 4.382 -14.428 3.368 895 HD2 LYS 112 HD1 LYS 112 4.563 -15.021 0.383 896 HD3 LYS 112 HD2 LYS 112 4.999 -16.201 1.653 897 HE2 LYS 112 HE1 LYS 112 2.795 -16.675 0.761 898 HE3 LYS 112 HE2 LYS 112 2.688 -16.202 2.472 899 HZ1 LYS 112 HZ1 LYS 112 1.886 -14.120 1.870 900 HZ2 LYS 112 HZ2 LYS 112 0.971 -15.180 1.177 901 HZ3 LYS 112 HZ3 LYS 112 2.076 -14.341 0.227 902 H VAL 113 H VAL 113 2.997 -10.315 3.550 903 HA VAL 113 HA VAL 113 4.273 -10.026 6.258 904 HB VAL 113 HB VAL 113 3.801 -7.589 6.018 905 HG11 VAL 113 HG11 VAL 113 5.819 -7.070 4.763 906 HG12 VAL 113 HG12 VAL 113 6.076 -8.523 5.745 907 HG13 VAL 113 HG13 VAL 113 5.794 -8.668 3.995 908 HG21 VAL 113 HG21 VAL 113 3.473 -6.544 3.893 909 HG22 VAL 113 HG22 VAL 113 3.499 -8.115 3.050 910 HG23 VAL 113 HG23 VAL 113 2.168 -7.702 4.137 911 H VAL 114 H VAL 114 2.688 -9.096 7.959 912 HA VAL 114 HA VAL 114 -0.030 -10.192 7.236 913 HB VAL 114 HB VAL 114 1.446 -10.713 9.840 914 HG11 VAL 114 HG11 VAL 114 -1.021 -10.564 10.151 915 HG12 VAL 114 HG12 VAL 114 -1.272 -11.679 8.792 916 HG13 VAL 114 HG13 VAL 114 -0.492 -12.243 10.286 917 HG21 VAL 114 HG21 VAL 114 1.456 -13.079 9.099 918 HG22 VAL 114 HG22 VAL 114 0.778 -12.592 7.531 919 HG23 VAL 114 HG23 VAL 114 2.399 -12.059 8.013 920 H LEU 115 H LEU 115 -1.679 -8.840 7.664 921 HA LEU 115 HA LEU 115 -1.161 -6.408 9.347 922 HB2 LEU 115 HB1 LEU 115 -2.594 -6.666 6.686 923 HB3 LEU 115 HB2 LEU 115 -2.505 -5.205 7.702 924 HG LEU 115 HG LEU 115 0.104 -5.557 7.404 925 HD11 LEU 115 HD11 LEU 115 0.049 -7.650 6.084 926 HD12 LEU 115 HD12 LEU 115 0.639 -6.324 5.086 927 HD13 LEU 115 HD13 LEU 115 -1.030 -6.905 4.901 928 HD21 LEU 115 HD21 LEU 115 -1.700 -4.425 5.232 929 HD22 LEU 115 HD22 LEU 115 0.036 -4.069 5.431 930 HD23 LEU 115 HD23 LEU 115 -1.103 -3.602 6.688 931 HA PRO 116 HA PRO 116 -5.426 -7.368 10.789 932 HB2 PRO 116 HB1 PRO 116 -5.898 -5.153 12.310 933 HB3 PRO 116 HB2 PRO 116 -4.804 -6.459 12.859 934 HG2 PRO 116 HG1 PRO 116 -4.055 -3.855 11.497 935 HG3 PRO 116 HG2 PRO 116 -3.335 -4.573 12.984 936 HD2 PRO 116 HD1 PRO 116 -2.207 -4.879 10.502 937 HD3 PRO 116 HD2 PRO 116 -2.146 -6.176 11.732 938 H VAL 117 H VAL 117 -7.464 -6.768 10.196 939 HA VAL 117 HA VAL 117 -7.667 -4.563 8.173 940 HB VAL 117 HB VAL 117 -9.745 -6.695 8.711 941 HG11 VAL 117 HG11 VAL 117 -9.148 -4.946 6.256 942 HG12 VAL 117 HG12 VAL 117 -10.540 -6.031 6.470 943 HG13 VAL 117 HG13 VAL 117 -10.387 -4.571 7.457 944 HG21 VAL 117 HG21 VAL 117 -8.943 -7.862 6.698 945 HG22 VAL 117 HG22 VAL 117 -7.501 -6.825 6.662 946 HG23 VAL 117 HG23 VAL 117 -7.775 -7.935 8.023 947 H GLU 118 H GLU 118 -8.655 -2.707 8.777 948 HA GLU 118 HA GLU 118 -10.676 -2.614 10.956 949 HB2 GLU 118 HB1 GLU 118 -7.992 -1.212 10.984 950 HB3 GLU 118 HB2 GLU 118 -9.383 -0.712 11.985 951 HG2 GLU 118 HG1 GLU 118 -9.354 -2.963 13.071 952 HG3 GLU 118 HG2 GLU 118 -7.863 -3.339 12.172 953 H ALA 119 H ALA 119 -11.792 -0.544 11.073 954 HA ALA 119 HA ALA 119 -12.205 0.597 8.412 955 HB1 ALA 119 HB1 ALA 119 -13.577 1.119 11.089 956 HB2 ALA 119 HB2 ALA 119 -14.152 1.636 9.496 957 HB3 ALA 119 HB3 ALA 119 -14.081 -0.093 9.888 958 H ARG 120 H ARG 120 -9.799 1.369 8.667 959 HA ARG 120 HA ARG 120 -9.853 4.289 9.288 960 HB2 ARG 120 HB1 ARG 120 -7.381 3.956 9.971 961 HB3 ARG 120 HB2 ARG 120 -8.660 3.580 11.153 962 HG2 ARG 120 HG1 ARG 120 -8.349 1.258 10.927 963 HG3 ARG 120 HG2 ARG 120 -7.422 1.427 9.429 964 HD2 ARG 120 HD1 ARG 120 -5.569 1.273 10.658 965 HD3 ARG 120 HD2 ARG 120 -5.904 2.863 11.304 966 HE ARG 120 HE ARG 120 -6.474 0.199 12.567 967 HH11 ARG 120 HH12 ARG 120 -6.156 3.609 13.103 968 HH12 ARG 120 HH11 ARG 120 -6.402 3.429 14.836 969 HH21 ARG 120 HH22 ARG 120 -7.011 0.054 14.604 970 HH22 ARG 120 HH21 ARG 120 -6.905 1.420 15.680 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 3.926 0.410 21.273 2 H2 GLY 1 2H GLY 1 4.430 0.292 22.848 3 H3 GLY 1 3H GLY 1 2.953 0.940 22.477 4 HA2 GLY 1 HA3 GLY 1 3.728 -1.874 22.075 5 HA3 GLY 1 HA2 GLY 1 2.600 -1.265 23.307 6 H SER 2 H SER 2 2.851 -2.451 20.125 7 HA SER 2 HA SER 2 0.702 -1.291 18.652 8 HB2 SER 2 HB1 SER 2 2.207 0.559 17.687 9 HB3 SER 2 HB2 SER 2 1.538 0.889 19.301 10 HG SER 2 HG SER 2 4.138 0.010 18.592 11 H PHE 3 H PHE 3 0.968 -1.978 16.496 12 HA PHE 3 HA PHE 3 3.156 -3.759 15.783 13 HB2 PHE 3 HB1 PHE 3 1.950 -3.552 13.531 14 HB3 PHE 3 HB2 PHE 3 1.089 -4.318 14.876 15 HD1 PHE 3 HD1 PHE 3 1.387 -1.142 12.897 16 HD2 PHE 3 HD2 PHE 3 -1.003 -3.458 15.641 17 HE1 PHE 3 HE1 PHE 3 -0.488 0.466 12.633 18 HE2 PHE 3 HE2 PHE 3 -2.871 -1.837 15.378 19 HZ PHE 3 HZ PHE 3 -2.610 0.127 13.871 20 H THR 4 H THR 4 4.470 -3.432 13.921 21 HA THR 4 HA THR 4 4.896 -0.721 12.850 22 HB THR 4 HB THR 4 7.320 -0.807 12.994 23 HG1 THR 4 HG1 THR 4 6.978 -3.238 13.691 24 HG21 THR 4 HG21 THR 4 7.611 -0.138 15.298 25 HG22 THR 4 HG22 THR 4 6.119 -0.966 15.784 26 HG23 THR 4 HG23 THR 4 6.041 0.465 14.728 27 H GLU 5 H GLU 5 3.585 -2.048 11.492 28 HA GLU 5 HA GLU 5 4.940 -3.681 9.430 29 HB2 GLU 5 HB1 GLU 5 2.528 -4.489 11.097 30 HB3 GLU 5 HB2 GLU 5 3.038 -5.320 9.602 31 HG2 GLU 5 HG1 GLU 5 4.401 -6.614 10.736 32 HG3 GLU 5 HG2 GLU 5 5.317 -5.230 11.329 33 H GLY 6 H GLY 6 2.635 -4.366 8.043 34 HA2 GLY 6 HA3 GLY 6 1.372 -1.781 7.288 35 HA3 GLY 6 HA2 GLY 6 1.260 -3.301 6.372 36 H TRP 7 H TRP 7 -0.972 -1.959 6.826 37 HA TRP 7 HA TRP 7 -2.586 -4.018 7.994 38 HB2 TRP 7 HB1 TRP 7 -3.814 -2.856 9.563 39 HB3 TRP 7 HB2 TRP 7 -2.145 -2.477 9.955 40 HD1 TRP 7 HD TRP 7 -5.393 -0.959 8.773 41 HE1 TRP 7 HE1 TRP 7 -5.347 1.551 9.170 42 HE3 TRP 7 3HE TRP 7 -0.392 -0.417 9.716 43 HZ2 TRP 7 HZ2 TRP 7 -3.364 3.579 9.762 44 HZ3 TRP 7 HZ3 TRP 7 0.551 1.825 10.211 45 HH2 TRP 7 HH TRP 7 -0.924 3.822 10.275 46 H VAL 8 H VAL 8 -4.950 -3.674 7.372 47 HA VAL 8 HA VAL 8 -5.079 -2.168 4.765 48 HB VAL 8 HB VAL 8 -6.743 -4.583 5.505 49 HG11 VAL 8 HG11 VAL 8 -7.786 -3.245 3.772 50 HG12 VAL 8 HG12 VAL 8 -6.252 -3.080 2.896 51 HG13 VAL 8 HG13 VAL 8 -7.058 -4.654 2.992 52 HG21 VAL 8 HG21 VAL 8 -4.169 -4.466 3.883 53 HG22 VAL 8 HG22 VAL 8 -4.458 -5.379 5.388 54 HG23 VAL 8 HG23 VAL 8 -5.282 -5.849 3.911 55 H ARG 9 H ARG 9 -6.791 -0.811 4.332 56 HA ARG 9 HA ARG 9 -8.408 0.014 6.629 57 HB2 ARG 9 HB1 ARG 9 -7.310 1.503 4.817 58 HB3 ARG 9 HB2 ARG 9 -8.669 1.038 3.789 59 HG2 ARG 9 HG1 ARG 9 -9.912 1.729 6.189 60 HG3 ARG 9 HG2 ARG 9 -8.533 2.856 6.129 61 HD2 ARG 9 HD1 ARG 9 -10.326 4.005 5.093 62 HD3 ARG 9 HD2 ARG 9 -9.303 3.444 3.758 63 HE ARG 9 HE ARG 9 -10.990 1.452 3.719 64 HH11 ARG 9 HH12 ARG 9 -12.217 4.367 5.180 65 HH12 ARG 9 HH11 ARG 9 -13.721 4.283 4.356 66 HH21 ARG 9 HH22 ARG 9 -13.050 1.176 3.089 67 HH22 ARG 9 HH21 ARG 9 -14.214 2.470 3.184 68 H PHE 10 H PHE 10 -10.334 -0.761 7.075 69 HA PHE 10 HA PHE 10 -11.766 -2.828 6.201 70 HB2 PHE 10 HB1 PHE 10 -12.357 -1.772 8.184 71 HB3 PHE 10 HB2 PHE 10 -12.548 -0.182 7.424 72 HD1 PHE 10 HD2 PHE 10 -14.553 0.316 6.039 73 HD2 PHE 10 HD1 PHE 10 -14.235 -3.200 8.492 74 HE1 PHE 10 HE2 PHE 10 -16.971 -0.089 5.753 75 HE2 PHE 10 HE1 PHE 10 -16.690 -3.578 8.268 76 HZ PHE 10 HZ PHE 10 -18.060 -2.032 6.885 77 H SER 11 H SER 11 -13.369 -3.450 4.800 78 HA SER 11 HA SER 11 -14.983 -1.480 3.456 79 HB2 SER 11 HB1 SER 11 -13.001 -1.507 1.933 80 HB3 SER 11 HB2 SER 11 -13.273 -3.242 1.650 81 HG SER 11 HG SER 11 -14.230 -2.005 0.035 82 HA PRO 12 HA PRO 12 -17.493 -5.305 3.128 83 HB2 PRO 12 HB1 PRO 12 -19.917 -4.227 2.777 84 HB3 PRO 12 HB2 PRO 12 -19.046 -3.952 4.316 85 HG2 PRO 12 HG1 PRO 12 -19.205 -2.101 1.914 86 HG3 PRO 12 HG2 PRO 12 -19.482 -1.696 3.647 87 HD2 PRO 12 HD1 PRO 12 -17.055 -1.352 2.308 88 HD3 PRO 12 HD2 PRO 12 -17.205 -1.615 4.067 89 H GLY 13 H GLY 13 -16.603 -3.055 0.709 90 HA2 GLY 13 HA3 GLY 13 -18.385 -4.156 -1.391 91 HA3 GLY 13 HA2 GLY 13 -17.582 -2.569 -1.408 92 HA PRO 14 HA PRO 14 -15.415 -5.889 -3.949 93 HB2 PRO 14 HB1 PRO 14 -15.421 -4.640 -6.401 94 HB3 PRO 14 HB2 PRO 14 -16.789 -5.603 -5.774 95 HG2 PRO 14 HG1 PRO 14 -16.424 -2.598 -5.667 96 HG3 PRO 14 HG2 PRO 14 -17.877 -3.520 -6.194 97 HD2 PRO 14 HD1 PRO 14 -17.680 -2.510 -3.680 98 HD3 PRO 14 HD2 PRO 14 -18.402 -4.121 -3.962 99 H ASN 15 H ASN 15 -14.677 -2.416 -3.586 100 HA ASN 15 HA ASN 15 -11.851 -3.030 -4.036 101 HB2 ASN 15 HB1 ASN 15 -11.597 -0.686 -4.507 102 HB3 ASN 15 HB2 ASN 15 -12.789 -1.406 -5.587 103 HD21 ASN 15 HD21 ASN 15 -13.141 1.066 -5.865 104 HD22 ASN 15 HD22 ASN 15 -14.320 1.774 -4.768 105 H ALA 16 H ALA 16 -10.335 -1.900 -2.750 106 HA ALA 16 HA ALA 16 -10.996 -0.699 -0.171 107 HB1 ALA 16 HB1 ALA 16 -11.126 -3.126 0.313 108 HB2 ALA 16 HB2 ALA 16 -9.479 -3.349 -0.298 109 HB3 ALA 16 HB3 ALA 16 -9.771 -2.378 1.163 110 H ALA 17 H ALA 17 -8.611 -0.523 1.048 111 HA ALA 17 HA ALA 17 -6.470 0.081 -0.892 112 HB1 ALA 17 HB1 ALA 17 -7.708 2.199 -0.724 113 HB2 ALA 17 HB2 ALA 17 -7.577 2.156 1.050 114 HB3 ALA 17 HB3 ALA 17 -6.119 2.329 0.057 115 H ALA 18 H ALA 18 -4.444 -0.405 0.050 116 HA ALA 18 HA ALA 18 -4.373 -1.078 2.971 117 HB1 ALA 18 HB1 ALA 18 -4.385 -3.094 1.507 118 HB2 ALA 18 HB2 ALA 18 -2.936 -2.483 0.683 119 HB3 ALA 18 HB3 ALA 18 -2.862 -2.909 2.399 120 H TYR 19 H TYR 19 -2.632 -0.548 4.159 121 HA TYR 19 HA TYR 19 -0.484 1.178 2.954 122 HB2 TYR 19 HB1 TYR 19 -1.701 1.155 5.746 123 HB3 TYR 19 HB2 TYR 19 -0.422 2.238 5.176 124 HD1 TYR 19 HD2 TYR 19 -0.953 3.897 3.331 125 HD2 TYR 19 HD1 TYR 19 -4.021 1.710 5.423 126 HE1 TYR 19 HE2 TYR 19 -2.625 5.587 2.634 127 HE2 TYR 19 HE1 TYR 19 -5.714 3.372 4.671 128 HH TYR 19 HH TYR 19 -6.053 5.390 3.559 129 H LEU 20 H LEU 20 1.609 0.316 3.167 130 HA LEU 20 HA LEU 20 2.003 -1.642 5.352 131 HB2 LEU 20 HB1 LEU 20 3.275 -3.137 4.093 132 HB3 LEU 20 HB2 LEU 20 1.690 -2.884 3.324 133 HG LEU 20 HG LEU 20 2.992 -1.258 1.750 134 HD11 LEU 20 HD11 LEU 20 5.189 -1.266 2.942 135 HD12 LEU 20 HD12 LEU 20 5.320 -1.922 1.316 136 HD13 LEU 20 HD13 LEU 20 5.300 -3.022 2.707 137 HD21 LEU 20 HD21 LEU 20 1.988 -3.359 1.012 138 HD22 LEU 20 HD22 LEU 20 3.374 -4.283 1.640 139 HD23 LEU 20 HD23 LEU 20 3.585 -3.165 0.271 140 H THR 21 H THR 21 3.959 -1.953 6.283 141 HA THR 21 HA THR 21 5.915 0.260 6.010 142 HB THR 21 HB THR 21 5.905 -2.007 8.040 143 HG1 THR 21 HG1 THR 21 4.340 -0.581 8.665 144 HG21 THR 21 HG21 THR 21 8.168 -1.062 7.510 145 HG22 THR 21 HG22 THR 21 7.613 -0.571 9.121 146 HG23 THR 21 HG23 THR 21 7.544 0.578 7.768 147 H LEU 22 H LEU 22 7.643 0.043 4.894 148 HA LEU 22 HA LEU 22 8.108 -2.507 3.386 149 HB2 LEU 22 HB1 LEU 22 7.602 -0.227 2.273 150 HB3 LEU 22 HB2 LEU 22 9.249 0.225 2.733 151 HG LEU 22 HG LEU 22 9.351 -0.350 0.489 152 HD11 LEU 22 HD11 LEU 22 11.168 -1.469 1.863 153 HD12 LEU 22 HD12 LEU 22 10.846 -2.198 0.285 154 HD13 LEU 22 HD13 LEU 22 10.218 -2.972 1.746 155 HD21 LEU 22 HD21 LEU 22 7.227 -1.371 0.180 156 HD22 LEU 22 HD22 LEU 22 7.712 -2.803 1.118 157 HD23 LEU 22 HD23 LEU 22 8.469 -2.459 -0.458 158 H GLU 23 H GLU 23 9.738 -3.703 4.055 159 HA GLU 23 HA GLU 23 11.995 -2.495 5.595 160 HB2 GLU 23 HB1 GLU 23 11.488 -5.436 5.213 161 HB3 GLU 23 HB2 GLU 23 12.579 -4.633 6.358 162 HG2 GLU 23 HG1 GLU 23 9.541 -4.555 6.481 163 HG3 GLU 23 HG2 GLU 23 10.571 -5.688 7.393 164 H ASN 24 H ASN 24 13.974 -2.310 4.679 165 HA ASN 24 HA ASN 24 14.697 -4.199 2.480 166 HB2 ASN 24 HB1 ASN 24 14.502 -1.847 1.687 167 HB3 ASN 24 HB2 ASN 24 15.774 -1.379 2.823 168 HD21 ASN 24 HD21 ASN 24 16.505 -0.831 0.378 169 HD22 ASN 24 HD22 ASN 24 17.594 -2.076 -0.272 170 HA PRO 25 HA PRO 25 17.643 -5.010 5.857 171 HB2 PRO 25 HB1 PRO 25 17.658 -7.726 5.769 172 HB3 PRO 25 HB2 PRO 25 16.255 -6.833 6.434 173 HG2 PRO 25 HG1 PRO 25 16.595 -7.892 3.603 174 HG3 PRO 25 HG2 PRO 25 15.218 -8.191 4.719 175 HD2 PRO 25 HD1 PRO 25 15.161 -6.212 2.837 176 HD3 PRO 25 HD2 PRO 25 14.420 -5.985 4.446 177 H GLY 26 H GLY 26 17.994 -5.168 2.466 178 HA2 GLY 26 HA3 GLY 26 20.536 -6.657 2.535 179 HA3 GLY 26 HA2 GLY 26 19.590 -6.204 1.099 180 H ASP 27 H ASP 27 22.270 -5.790 1.333 181 HA ASP 27 HA ASP 27 23.061 -3.075 1.979 182 HB2 ASP 27 HB1 ASP 27 24.256 -5.581 0.763 183 HB3 ASP 27 HB2 ASP 27 25.128 -4.043 0.730 184 H LEU 28 H LEU 28 21.102 -4.032 -0.285 185 HA LEU 28 HA LEU 28 22.062 -2.304 -2.481 186 HB2 LEU 28 HB1 LEU 28 21.066 -3.852 -4.075 187 HB3 LEU 28 HB2 LEU 28 22.292 -4.623 -3.019 188 HG LEU 28 HG LEU 28 20.174 -5.439 -1.659 189 HD11 LEU 28 HD11 LEU 28 18.407 -4.233 -2.901 190 HD12 LEU 28 HD12 LEU 28 18.238 -5.964 -3.149 191 HD13 LEU 28 HD13 LEU 28 18.954 -4.958 -4.426 192 HD21 LEU 28 HD21 LEU 28 21.768 -6.906 -2.825 193 HD22 LEU 28 HD22 LEU 28 20.934 -6.617 -4.368 194 HD23 LEU 28 HD23 LEU 28 20.110 -7.480 -3.049 195 HA PRO 29 HA PRO 29 18.166 -0.301 -1.796 196 HB2 PRO 29 HB1 PRO 29 17.719 1.033 -4.124 197 HB3 PRO 29 HB2 PRO 29 19.059 1.446 -3.015 198 HG2 PRO 29 HG1 PRO 29 19.147 -0.159 -5.564 199 HG3 PRO 29 HG2 PRO 29 20.334 1.050 -4.965 200 HD2 PRO 29 HD1 PRO 29 20.560 -1.739 -4.729 201 HD3 PRO 29 HD2 PRO 29 21.426 -0.597 -3.687 202 H LEU 30 H LEU 30 15.985 -0.641 -1.996 203 HA LEU 30 HA LEU 30 15.084 -2.663 -3.985 204 HB2 LEU 30 HB1 LEU 30 14.106 -2.018 -1.196 205 HB3 LEU 30 HB2 LEU 30 13.048 -2.829 -2.364 206 HG LEU 30 HG LEU 30 15.758 -3.847 -1.542 207 HD11 LEU 30 HD11 LEU 30 13.001 -4.844 -0.640 208 HD12 LEU 30 HD12 LEU 30 14.018 -3.790 0.341 209 HD13 LEU 30 HD13 LEU 30 14.580 -5.421 -0.063 210 HD21 LEU 30 HD21 LEU 30 13.502 -5.202 -3.050 211 HD22 LEU 30 HD22 LEU 30 14.959 -6.018 -2.445 212 HD23 LEU 30 HD23 LEU 30 15.106 -4.776 -3.694 213 H ARG 31 H ARG 31 13.320 -2.459 -4.938 214 HA ARG 31 HA ARG 31 11.954 0.181 -5.183 215 HB2 ARG 31 HB1 ARG 31 13.791 0.152 -6.808 216 HB3 ARG 31 HB2 ARG 31 13.151 -1.355 -7.505 217 HG2 ARG 31 HG1 ARG 31 11.485 -0.281 -8.621 218 HG3 ARG 31 HG2 ARG 31 11.203 0.901 -7.323 219 HD2 ARG 31 HD1 ARG 31 11.971 1.888 -9.464 220 HD3 ARG 31 HD2 ARG 31 12.952 2.312 -8.069 221 HE ARG 31 HE ARG 31 13.679 0.576 -10.361 222 HH11 ARG 31 HH12 ARG 31 14.777 2.060 -7.306 223 HH12 ARG 31 HH11 ARG 31 16.423 1.955 -7.699 224 HH21 ARG 31 HH22 ARG 31 15.891 0.387 -10.814 225 HH22 ARG 31 HH21 ARG 31 17.049 1.019 -9.678 226 H LEU 32 H LEU 32 9.922 -0.336 -4.692 227 HA LEU 32 HA LEU 32 8.698 -2.922 -5.468 228 HB2 LEU 32 HB1 LEU 32 8.422 -1.990 -3.199 229 HB3 LEU 32 HB2 LEU 32 7.627 -0.553 -3.840 230 HG LEU 32 HG LEU 32 6.582 -3.366 -4.428 231 HD11 LEU 32 HD11 LEU 32 5.940 -1.702 -1.960 232 HD12 LEU 32 HD12 LEU 32 6.839 -3.239 -2.002 233 HD13 LEU 32 HD13 LEU 32 5.130 -3.213 -2.445 234 HD21 LEU 32 HD21 LEU 32 5.462 -1.551 -5.705 235 HD22 LEU 32 HD22 LEU 32 5.173 -0.658 -4.199 236 HD23 LEU 32 HD23 LEU 32 4.383 -2.220 -4.524 237 H VAL 33 H VAL 33 7.793 -3.091 -7.432 238 HA VAL 33 HA VAL 33 6.863 -0.630 -8.882 239 HB VAL 33 HB VAL 33 7.071 -1.924 -10.948 240 HG11 VAL 33 HG11 VAL 33 9.635 -2.059 -9.296 241 HG12 VAL 33 HG12 VAL 33 9.513 -2.050 -11.063 242 HG13 VAL 33 HG13 VAL 33 9.029 -0.622 -10.144 243 HG21 VAL 33 HG21 VAL 33 6.701 -4.243 -10.063 244 HG22 VAL 33 HG22 VAL 33 8.149 -4.099 -11.061 245 HG23 VAL 33 HG23 VAL 33 8.307 -4.174 -9.303 246 H GLY 34 H GLY 34 5.773 -3.592 -7.401 247 HA2 GLY 34 HA3 GLY 34 2.981 -2.976 -7.903 248 HA3 GLY 34 HA2 GLY 34 3.528 -4.500 -8.637 249 H ALA 35 H ALA 35 1.684 -5.070 -7.081 250 HA ALA 35 HA ALA 35 3.029 -6.409 -4.838 251 HB1 ALA 35 HB1 ALA 35 1.986 -4.500 -3.739 252 HB2 ALA 35 HB2 ALA 35 0.433 -4.832 -4.534 253 HB3 ALA 35 HB3 ALA 35 1.084 -5.956 -3.322 254 H ARG 36 H ARG 36 1.404 -8.045 -3.933 255 HA ARG 36 HA ARG 36 -0.876 -8.812 -5.503 256 HB2 ARG 36 HB1 ARG 36 0.646 -10.082 -6.782 257 HB3 ARG 36 HB2 ARG 36 1.479 -10.733 -5.378 258 HG2 ARG 36 HG1 ARG 36 -0.293 -12.190 -4.856 259 HG3 ARG 36 HG2 ARG 36 -1.454 -11.313 -5.863 260 HD2 ARG 36 HD1 ARG 36 0.846 -12.323 -7.404 261 HD3 ARG 36 HD2 ARG 36 -0.049 -13.612 -6.548 262 HE ARG 36 HE ARG 36 -1.933 -11.909 -7.780 263 HH11 ARG 36 HH12 ARG 36 0.528 -14.176 -8.880 264 HH12 ARG 36 HH11 ARG 36 -0.451 -14.742 -10.206 265 HH21 ARG 36 HH22 ARG 36 -3.204 -12.747 -9.449 266 HH22 ARG 36 HH21 ARG 36 -2.536 -13.906 -10.533 267 H THR 37 H THR 37 -1.800 -10.900 -4.121 268 HA THR 37 HA THR 37 -1.454 -10.998 -1.341 269 HB THR 37 HB THR 37 -2.144 -8.810 -1.030 270 HG1 THR 37 HG1 THR 37 -3.259 -9.754 0.351 271 HG21 THR 37 HG21 THR 37 -3.033 -8.112 -3.187 272 HG22 THR 37 HG22 THR 37 -4.287 -7.849 -1.970 273 HG23 THR 37 HG23 THR 37 -4.381 -9.263 -3.046 274 HA PRO 38 HA PRO 38 -4.444 -14.212 -2.394 275 HB2 PRO 38 HB1 PRO 38 -5.420 -14.931 0.056 276 HB3 PRO 38 HB2 PRO 38 -3.773 -15.316 -0.547 277 HG2 PRO 38 HG1 PRO 38 -4.569 -13.083 1.309 278 HG3 PRO 38 HG2 PRO 38 -3.218 -14.257 1.498 279 HD2 PRO 38 HD1 PRO 38 -2.894 -11.742 0.447 280 HD3 PRO 38 HD2 PRO 38 -1.902 -13.090 -0.121 281 H VAL 39 H VAL 39 -5.297 -11.202 -1.002 282 HA VAL 39 HA VAL 39 -8.190 -11.656 -1.641 283 HB VAL 39 HB VAL 39 -8.851 -10.163 0.187 284 HG11 VAL 39 HG11 VAL 39 -8.956 -12.578 0.469 285 HG12 VAL 39 HG12 VAL 39 -7.264 -12.627 1.013 286 HG13 VAL 39 HG13 VAL 39 -8.476 -11.804 1.990 287 HG21 VAL 39 HG21 VAL 39 -7.287 -9.631 1.991 288 HG22 VAL 39 HG22 VAL 39 -5.963 -10.441 1.132 289 HG23 VAL 39 HG23 VAL 39 -6.657 -8.937 0.489 290 H ALA 40 H ALA 40 -6.623 -10.783 -3.627 291 HA ALA 40 HA ALA 40 -8.436 -8.744 -4.565 292 HB1 ALA 40 HB1 ALA 40 -6.912 -7.014 -5.150 293 HB2 ALA 40 HB2 ALA 40 -6.653 -7.303 -3.428 294 HB3 ALA 40 HB3 ALA 40 -5.500 -7.939 -4.623 295 H GLU 41 H GLU 41 -8.460 -8.743 -6.872 296 HA GLU 41 HA GLU 41 -6.600 -10.687 -8.182 297 HB2 GLU 41 HB1 GLU 41 -9.192 -10.790 -8.461 298 HB3 GLU 41 HB2 GLU 41 -8.947 -9.476 -9.625 299 HG2 GLU 41 HG1 GLU 41 -8.912 -11.581 -10.834 300 HG3 GLU 41 HG2 GLU 41 -7.255 -10.965 -10.821 301 H ARG 42 H ARG 42 -7.584 -7.288 -8.122 302 HA ARG 42 HA ARG 42 -5.272 -6.535 -9.837 303 HB2 ARG 42 HB1 ARG 42 -8.073 -5.608 -9.778 304 HB3 ARG 42 HB2 ARG 42 -6.900 -4.283 -9.575 305 HG2 ARG 42 HG1 ARG 42 -5.748 -4.939 -11.634 306 HG3 ARG 42 HG2 ARG 42 -6.873 -6.301 -11.855 307 HD2 ARG 42 HD1 ARG 42 -8.753 -4.797 -12.093 308 HD3 ARG 42 HD2 ARG 42 -7.782 -3.400 -11.627 309 HE ARG 42 HE ARG 42 -7.592 -4.944 -14.182 310 HH11 ARG 42 HH12 ARG 42 -6.542 -2.061 -12.368 311 HH12 ARG 42 HH11 ARG 42 -6.138 -1.181 -13.765 312 HH21 ARG 42 HH22 ARG 42 -6.933 -3.763 -16.003 313 HH22 ARG 42 HH21 ARG 42 -6.311 -2.144 -15.794 314 H VAL 43 H VAL 43 -3.804 -5.374 -8.849 315 HA VAL 43 HA VAL 43 -4.402 -3.861 -6.409 316 HB VAL 43 HB VAL 43 -3.544 -6.002 -5.592 317 HG11 VAL 43 HG11 VAL 43 -1.257 -6.651 -5.777 318 HG12 VAL 43 HG12 VAL 43 -1.889 -6.522 -7.422 319 HG13 VAL 43 HG13 VAL 43 -0.812 -5.259 -6.776 320 HG21 VAL 43 HG21 VAL 43 -1.713 -3.659 -5.008 321 HG22 VAL 43 HG22 VAL 43 -3.314 -3.947 -4.289 322 HG23 VAL 43 HG23 VAL 43 -1.988 -5.076 -3.971 323 H GLU 44 H GLU 44 -3.585 -1.937 -6.548 324 HA GLU 44 HA GLU 44 -1.532 -1.216 -8.620 325 HB2 GLU 44 HB1 GLU 44 -4.468 -0.451 -8.441 326 HB3 GLU 44 HB2 GLU 44 -3.290 0.554 -9.320 327 HG2 GLU 44 HG1 GLU 44 -2.891 -1.084 -10.937 328 HG3 GLU 44 HG2 GLU 44 -3.553 -2.398 -9.949 329 H LEU 45 H LEU 45 -0.113 0.206 -7.710 330 HA LEU 45 HA LEU 45 -0.924 1.464 -5.200 331 HB2 LEU 45 HB1 LEU 45 1.233 2.067 -4.750 332 HB3 LEU 45 HB2 LEU 45 1.283 0.418 -5.323 333 HG LEU 45 HG LEU 45 1.991 2.880 -6.915 334 HD11 LEU 45 HD11 LEU 45 3.460 2.620 -5.014 335 HD12 LEU 45 HD12 LEU 45 4.344 2.274 -6.507 336 HD13 LEU 45 HD13 LEU 45 3.811 0.932 -5.466 337 HD21 LEU 45 HD21 LEU 45 3.243 1.191 -8.398 338 HD22 LEU 45 HD22 LEU 45 1.488 1.021 -8.463 339 HD23 LEU 45 HD23 LEU 45 2.460 -0.106 -7.483 340 H HIS 46 H HIS 46 -1.229 3.368 -4.669 341 HA HIS 46 HA HIS 46 -1.175 5.610 -6.628 342 HB2 HIS 46 HB1 HIS 46 -3.037 4.990 -4.305 343 HB3 HIS 46 HB2 HIS 46 -3.125 6.454 -5.272 344 HD2 HIS 46 HD2 HIS 46 -2.741 4.036 -7.905 345 HE1 HIS 46 HE1 HIS 46 -6.827 3.526 -6.844 346 HE2 HIS 46 HE2 HIS 46 -5.051 3.030 -8.654 347 H GLU 47 H GLU 47 -0.706 7.572 -5.875 348 HA GLU 47 HA GLU 47 0.403 7.949 -3.123 349 HB2 GLU 47 HB1 GLU 47 1.369 9.940 -3.867 350 HB3 GLU 47 HB2 GLU 47 1.599 8.783 -5.206 351 HG2 GLU 47 HG1 GLU 47 -0.488 9.770 -6.250 352 HG3 GLU 47 HG2 GLU 47 -0.430 11.042 -5.020 353 H THR 48 H THR 48 -0.556 9.638 -1.814 354 HA THR 48 HA THR 48 -3.075 10.943 -2.840 355 HB THR 48 HB THR 48 -1.860 10.699 -0.075 356 HG1 THR 48 HG1 THR 48 -3.564 9.553 0.369 357 HG21 THR 48 HG21 THR 48 -3.893 11.931 0.738 358 HG22 THR 48 HG22 THR 48 -4.334 12.278 -0.945 359 HG23 THR 48 HG23 THR 48 -2.848 12.960 -0.244 360 H PHE 49 H PHE 49 -2.825 13.213 -3.180 361 HA PHE 49 HA PHE 49 -0.245 14.480 -2.439 362 HB2 PHE 49 HB1 PHE 49 0.162 15.317 -4.637 363 HB3 PHE 49 HB2 PHE 49 0.045 13.569 -4.715 364 HD1 PHE 49 HD2 PHE 49 -2.108 12.540 -5.689 365 HD2 PHE 49 HD1 PHE 49 -1.279 16.758 -5.827 366 HE1 PHE 49 HE2 PHE 49 -3.884 12.839 -7.406 367 HE2 PHE 49 HE1 PHE 49 -3.084 17.048 -7.494 368 HZ PHE 49 HZ PHE 49 -4.377 15.113 -8.291 369 H MET 50 H MET 50 -0.192 16.755 -3.015 370 HA MET 50 HA MET 50 -2.631 18.072 -1.892 371 HB2 MET 50 HB1 MET 50 0.254 18.999 -2.131 372 HB3 MET 50 HB2 MET 50 -1.067 19.984 -1.456 373 HG2 MET 50 HG1 MET 50 -1.429 18.325 0.304 374 HG3 MET 50 HG2 MET 50 -0.141 17.308 -0.337 375 HE1 MET 50 HE1 MET 50 2.272 17.427 0.439 376 HE2 MET 50 HE2 MET 50 2.306 18.585 -0.913 377 HE3 MET 50 HE3 MET 50 3.109 18.984 0.622 378 H ARG 51 H ARG 51 -3.776 19.627 -2.941 379 HA ARG 51 HA ARG 51 -2.494 21.093 -5.176 380 HB2 ARG 51 HB1 ARG 51 -4.842 19.309 -5.418 381 HB3 ARG 51 HB2 ARG 51 -5.091 20.929 -6.106 382 HG2 ARG 51 HG1 ARG 51 -2.837 20.628 -7.273 383 HG3 ARG 51 HG2 ARG 51 -2.939 18.932 -6.792 384 HD2 ARG 51 HD1 ARG 51 -3.814 19.007 -9.012 385 HD3 ARG 51 HD2 ARG 51 -5.263 18.960 -7.997 386 HE ARG 51 HE ARG 51 -5.056 21.598 -8.231 387 HH11 ARG 51 HH12 ARG 51 -4.395 19.307 -10.829 388 HH12 ARG 51 HH11 ARG 51 -4.714 20.478 -12.077 389 HH21 ARG 51 HH22 ARG 51 -5.501 23.017 -9.785 390 HH22 ARG 51 HH21 ARG 51 -5.303 22.629 -11.479 391 H GLU 52 H GLU 52 -3.178 23.134 -5.644 392 HA GLU 52 HA GLU 52 -5.392 24.416 -4.188 393 HB2 GLU 52 HB1 GLU 52 -3.138 25.514 -4.745 394 HB3 GLU 52 HB2 GLU 52 -3.560 25.316 -6.460 395 HG2 GLU 52 HG1 GLU 52 -4.233 27.478 -6.046 396 HG3 GLU 52 HG2 GLU 52 -5.747 26.629 -5.797 397 H VAL 53 H VAL 53 -7.390 24.592 -5.313 398 HA VAL 53 HA VAL 53 -7.286 24.126 -8.260 399 HB VAL 53 HB VAL 53 -9.658 23.127 -8.082 400 HG11 VAL 53 HG11 VAL 53 -7.362 21.530 -6.895 401 HG12 VAL 53 HG12 VAL 53 -8.843 20.877 -7.621 402 HG13 VAL 53 HG13 VAL 53 -7.691 21.776 -8.622 403 HG21 VAL 53 HG21 VAL 53 -10.086 23.871 -5.715 404 HG22 VAL 53 HG22 VAL 53 -10.326 22.131 -5.963 405 HG23 VAL 53 HG23 VAL 53 -8.860 22.724 -5.161 406 H GLU 54 H GLU 54 -8.073 26.328 -6.100 407 HA GLU 54 HA GLU 54 -9.652 28.040 -7.919 408 HB2 GLU 54 HB1 GLU 54 -10.822 26.972 -5.337 409 HB3 GLU 54 HB2 GLU 54 -11.584 28.193 -6.375 410 HG2 GLU 54 HG1 GLU 54 -12.069 26.514 -8.060 411 HG3 GLU 54 HG2 GLU 54 -11.261 25.263 -7.091 412 H GLY 55 H GLY 55 -7.077 28.319 -6.279 413 HA2 GLY 55 HA3 GLY 55 -6.100 29.711 -4.676 414 HA3 GLY 55 HA2 GLY 55 -7.597 30.667 -4.624 415 H LYS 56 H LYS 56 -8.196 27.405 -4.192 416 HA LYS 56 HA LYS 56 -8.360 27.451 -1.261 417 HB2 LYS 56 HB1 LYS 56 -10.482 26.576 -3.256 418 HB3 LYS 56 HB2 LYS 56 -10.464 26.070 -1.544 419 HG2 LYS 56 HG1 LYS 56 -10.669 28.381 -0.814 420 HG3 LYS 56 HG2 LYS 56 -10.597 28.979 -2.475 421 HD2 LYS 56 HD1 LYS 56 -12.717 26.977 -1.627 422 HD3 LYS 56 HD2 LYS 56 -12.933 28.722 -1.328 423 HE2 LYS 56 HE1 LYS 56 -13.219 29.220 -3.537 424 HE3 LYS 56 HE2 LYS 56 -12.089 27.953 -4.083 425 HZ1 LYS 56 HZ1 LYS 56 -14.841 27.362 -3.140 426 HZ2 LYS 56 HZ2 LYS 56 -13.727 26.335 -3.856 427 HZ3 LYS 56 HZ3 LYS 56 -14.343 27.460 -4.730 428 H LYS 57 H LYS 57 -7.681 25.724 -0.400 429 HA LYS 57 HA LYS 57 -5.953 23.930 -1.802 430 HB2 LYS 57 HB1 LYS 57 -6.648 23.567 1.085 431 HB3 LYS 57 HB2 LYS 57 -5.080 23.415 0.297 432 HG2 LYS 57 HG1 LYS 57 -6.515 25.958 1.143 433 HG3 LYS 57 HG2 LYS 57 -5.069 25.244 1.890 434 HD2 LYS 57 HD1 LYS 57 -3.713 26.379 0.505 435 HD3 LYS 57 HD2 LYS 57 -4.604 25.846 -0.928 436 HE2 LYS 57 HE1 LYS 57 -6.368 27.599 -0.328 437 HE3 LYS 57 HE2 LYS 57 -5.268 28.209 0.908 438 HZ1 LYS 57 HZ1 LYS 57 -3.697 28.743 -0.907 439 HZ2 LYS 57 HZ2 LYS 57 -5.183 29.387 -1.277 440 HZ3 LYS 57 HZ3 LYS 57 -4.686 28.053 -2.006 441 H VAL 58 H VAL 58 -6.140 21.788 -1.982 442 HA VAL 58 HA VAL 58 -8.339 20.194 -0.889 443 HB VAL 58 HB VAL 58 -9.126 21.316 -3.085 444 HG11 VAL 58 HG11 VAL 58 -7.099 20.939 -4.436 445 HG12 VAL 58 HG12 VAL 58 -7.354 19.181 -4.355 446 HG13 VAL 58 HG13 VAL 58 -8.532 20.204 -5.178 447 HG21 VAL 58 HG21 VAL 58 -10.454 19.433 -3.744 448 HG22 VAL 58 HG22 VAL 58 -9.347 18.286 -2.976 449 HG23 VAL 58 HG23 VAL 58 -10.289 19.418 -1.981 450 H MET 59 H MET 59 -8.057 17.838 -1.644 451 HA MET 59 HA MET 59 -5.187 17.109 -2.098 452 HB2 MET 59 HB1 MET 59 -7.173 15.966 -0.111 453 HB3 MET 59 HB2 MET 59 -5.736 15.066 -0.648 454 HG2 MET 59 HG1 MET 59 -5.458 17.884 0.393 455 HG3 MET 59 HG2 MET 59 -5.632 16.529 1.526 456 HE1 MET 59 HE1 MET 59 -3.596 16.004 2.757 457 HE2 MET 59 HE2 MET 59 -3.929 14.549 1.785 458 HE3 MET 59 HE3 MET 59 -2.265 15.148 1.955 459 H GLY 60 H GLY 60 -4.837 15.389 -3.403 460 HA2 GLY 60 HA3 GLY 60 -7.164 14.136 -4.786 461 HA3 GLY 60 HA2 GLY 60 -5.721 14.678 -5.674 462 H MET 61 H MET 61 -6.245 12.185 -6.116 463 HA MET 61 HA MET 61 -4.052 10.712 -4.815 464 HB2 MET 61 HB1 MET 61 -5.988 9.995 -3.593 465 HB3 MET 61 HB2 MET 61 -6.929 9.844 -5.084 466 HG2 MET 61 HG1 MET 61 -5.185 8.031 -5.711 467 HG3 MET 61 HG2 MET 61 -4.782 8.067 -3.996 468 HE1 MET 61 HE1 MET 61 -8.468 7.096 -2.570 469 HE2 MET 61 HE2 MET 61 -7.063 8.157 -2.287 470 HE3 MET 61 HE3 MET 61 -8.377 8.684 -3.373 471 H ARG 62 H ARG 62 -2.979 9.459 -6.231 472 HA ARG 62 HA ARG 62 -3.673 9.523 -9.146 473 HB2 ARG 62 HB1 ARG 62 -1.858 11.115 -7.552 474 HB3 ARG 62 HB2 ARG 62 -0.890 10.183 -8.664 475 HG2 ARG 62 HG1 ARG 62 -3.235 11.684 -9.786 476 HG3 ARG 62 HG2 ARG 62 -1.830 12.609 -9.136 477 HD2 ARG 62 HD1 ARG 62 -1.011 12.439 -11.201 478 HD3 ARG 62 HD2 ARG 62 -0.529 10.817 -10.712 479 HE ARG 62 HE ARG 62 -3.149 10.581 -11.630 480 HH11 ARG 62 HH12 ARG 62 -0.128 11.663 -13.065 481 HH12 ARG 62 HH11 ARG 62 -0.649 11.365 -14.701 482 HH21 ARG 62 HH22 ARG 62 -3.794 10.179 -13.761 483 HH22 ARG 62 HH21 ARG 62 -2.737 10.562 -15.088 484 HA PRO 63 HA PRO 63 -1.617 5.503 -8.597 485 HB2 PRO 63 HB1 PRO 63 -1.537 4.544 -11.126 486 HB3 PRO 63 HB2 PRO 63 -3.071 4.652 -10.210 487 HG2 PRO 63 HG1 PRO 63 -1.976 6.630 -12.230 488 HG3 PRO 63 HG2 PRO 63 -3.635 5.934 -12.144 489 HD2 PRO 63 HD1 PRO 63 -3.001 8.401 -11.100 490 HD3 PRO 63 HD2 PRO 63 -4.215 7.335 -10.337 491 H VAL 64 H VAL 64 0.549 4.733 -8.689 492 HA VAL 64 HA VAL 64 2.423 6.583 -10.134 493 HB VAL 64 HB VAL 64 3.921 6.587 -8.179 494 HG11 VAL 64 HG11 VAL 64 2.817 8.317 -7.008 495 HG12 VAL 64 HG12 VAL 64 2.306 8.433 -8.692 496 HG13 VAL 64 HG13 VAL 64 1.203 7.734 -7.484 497 HG21 VAL 64 HG21 VAL 64 3.051 6.054 -5.930 498 HG22 VAL 64 HG22 VAL 64 1.637 5.281 -6.664 499 HG23 VAL 64 HG23 VAL 64 3.283 4.643 -6.951 500 HA PRO 65 HA PRO 65 4.139 3.048 -11.731 501 HB2 PRO 65 HB1 PRO 65 6.622 3.724 -12.509 502 HB3 PRO 65 HB2 PRO 65 5.175 4.589 -13.117 503 HG2 PRO 65 HG1 PRO 65 7.017 5.416 -10.857 504 HG3 PRO 65 HG2 PRO 65 6.443 6.414 -12.238 505 HD2 PRO 65 HD1 PRO 65 5.242 6.446 -9.761 506 HD3 PRO 65 HD2 PRO 65 4.324 6.674 -11.267 507 H PHE 66 H PHE 66 5.941 4.193 -8.934 508 HA PHE 66 HA PHE 66 6.302 1.613 -7.841 509 HB2 PHE 66 HB1 PHE 66 8.700 1.294 -8.021 510 HB3 PHE 66 HB2 PHE 66 8.010 1.318 -9.630 511 HD1 PHE 66 HD1 PHE 66 10.105 3.088 -7.190 512 HD2 PHE 66 HD2 PHE 66 8.424 3.190 -11.141 513 HE1 PHE 66 HE1 PHE 66 11.579 4.982 -7.716 514 HE2 PHE 66 HE2 PHE 66 10.001 5.059 -11.749 515 HZ PHE 66 HZ PHE 66 11.571 5.956 -10.034 516 H LEU 67 H LEU 67 7.719 1.610 -5.960 517 HA LEU 67 HA LEU 67 8.304 4.267 -4.703 518 HB2 LEU 67 HB1 LEU 67 7.650 1.631 -3.317 519 HB3 LEU 67 HB2 LEU 67 7.989 3.161 -2.515 520 HG LEU 67 HG LEU 67 5.540 2.326 -4.085 521 HD11 LEU 67 HD11 LEU 67 5.967 3.356 -1.260 522 HD12 LEU 67 HD12 LEU 67 5.749 1.649 -1.724 523 HD13 LEU 67 HD13 LEU 67 4.418 2.807 -1.966 524 HD21 LEU 67 HD21 LEU 67 4.569 4.558 -3.623 525 HD22 LEU 67 HD22 LEU 67 5.925 4.663 -4.737 526 HD23 LEU 67 HD23 LEU 67 6.155 5.126 -3.037 527 H GLU 68 H GLU 68 10.197 4.356 -3.438 528 HA GLU 68 HA GLU 68 12.263 2.277 -4.028 529 HB2 GLU 68 HB1 GLU 68 12.581 4.551 -5.119 530 HB3 GLU 68 HB2 GLU 68 12.709 5.237 -3.481 531 HG2 GLU 68 HG1 GLU 68 14.928 4.935 -4.230 532 HG3 GLU 68 HG2 GLU 68 14.660 3.631 -3.078 533 H VAL 69 H VAL 69 13.467 1.550 -2.309 534 HA VAL 69 HA VAL 69 13.539 3.197 0.113 535 HB VAL 69 HB VAL 69 13.046 0.178 0.264 536 HG11 VAL 69 HG11 VAL 69 13.492 2.160 2.554 537 HG12 VAL 69 HG12 VAL 69 13.008 0.461 2.734 538 HG13 VAL 69 HG13 VAL 69 14.591 0.848 2.079 539 HG21 VAL 69 HG21 VAL 69 11.352 2.567 1.131 540 HG22 VAL 69 HG22 VAL 69 10.955 1.346 -0.110 541 HG23 VAL 69 HG23 VAL 69 11.029 0.896 1.599 542 HA PRO 70 HA PRO 70 17.859 2.376 -0.748 543 HB2 PRO 70 HB1 PRO 70 19.018 3.670 1.367 544 HB3 PRO 70 HB2 PRO 70 18.234 4.537 0.012 545 HG2 PRO 70 HG1 PRO 70 17.023 3.813 2.699 546 HG3 PRO 70 HG2 PRO 70 17.032 5.422 1.890 547 HD2 PRO 70 HD1 PRO 70 14.898 3.754 1.698 548 HD3 PRO 70 HD2 PRO 70 15.435 4.714 0.289 549 HA PRO 71 HA PRO 71 19.009 -1.204 1.499 550 HB2 PRO 71 HB1 PRO 71 21.719 -0.970 2.003 551 HB3 PRO 71 HB2 PRO 71 20.964 -1.385 0.434 552 HG2 PRO 71 HG1 PRO 71 21.965 1.298 1.344 553 HG3 PRO 71 HG2 PRO 71 22.195 0.464 -0.245 554 HD2 PRO 71 HD1 PRO 71 20.277 2.382 0.120 555 HD3 PRO 71 HD2 PRO 71 19.984 0.946 -0.902 556 H LYS 72 H LYS 72 19.254 -2.165 3.410 557 HA LYS 72 HA LYS 72 18.942 -2.382 5.640 558 HB2 LYS 72 HB1 LYS 72 21.612 -0.963 5.579 559 HB3 LYS 72 HB2 LYS 72 20.973 -2.002 6.888 560 HG2 LYS 72 HG1 LYS 72 20.471 -3.630 4.825 561 HG3 LYS 72 HG2 LYS 72 21.798 -2.750 4.070 562 HD2 LYS 72 HD1 LYS 72 22.040 -4.077 6.791 563 HD3 LYS 72 HD2 LYS 72 22.310 -4.916 5.229 564 HE2 LYS 72 HE1 LYS 72 23.874 -2.833 4.762 565 HE3 LYS 72 HE2 LYS 72 23.905 -2.660 6.507 566 HZ1 LYS 72 HZ1 LYS 72 25.669 -4.097 5.420 567 HZ2 LYS 72 HZ2 LYS 72 24.550 -5.126 4.992 568 HZ3 LYS 72 HZ3 LYS 72 24.826 -4.930 6.614 569 H GLY 73 H GLY 73 17.344 -0.697 4.889 570 HA2 GLY 73 HA3 GLY 73 16.763 0.922 7.313 571 HA3 GLY 73 HA2 GLY 73 16.600 1.717 5.731 572 H ARG 74 H ARG 74 14.386 1.582 7.349 573 HA ARG 74 HA ARG 74 12.609 -0.010 5.649 574 HB2 ARG 74 HB1 ARG 74 11.444 -1.139 7.327 575 HB3 ARG 74 HB2 ARG 74 13.163 -1.557 7.435 576 HG2 ARG 74 HG1 ARG 74 12.687 -1.392 9.635 577 HG3 ARG 74 HG2 ARG 74 13.097 0.299 9.371 578 HD2 ARG 74 HD1 ARG 74 10.942 1.021 9.554 579 HD3 ARG 74 HD2 ARG 74 10.277 -0.499 8.979 580 HE ARG 74 HE ARG 74 11.384 0.026 11.701 581 HH11 ARG 74 HH12 ARG 74 9.466 -2.207 9.708 582 HH12 ARG 74 HH11 ARG 74 8.479 -2.712 11.047 583 HH21 ARG 74 HH22 ARG 74 10.373 -1.006 13.429 584 HH22 ARG 74 HH21 ARG 74 9.109 -2.166 13.125 585 H VAL 75 H VAL 75 10.628 0.941 5.370 586 HA VAL 75 HA VAL 75 10.015 3.565 6.664 587 HB VAL 75 HB VAL 75 10.649 3.305 3.682 588 HG11 VAL 75 HG11 VAL 75 10.459 5.812 3.696 589 HG12 VAL 75 HG12 VAL 75 8.940 5.015 4.079 590 HG13 VAL 75 HG13 VAL 75 9.908 5.736 5.384 591 HG21 VAL 75 HG21 VAL 75 12.300 4.689 5.843 592 HG22 VAL 75 HG22 VAL 75 12.786 3.277 4.872 593 HG23 VAL 75 HG23 VAL 75 12.568 4.839 4.092 594 H GLU 76 H GLU 76 7.804 4.047 6.495 595 HA GLU 76 HA GLU 76 6.172 2.043 5.030 596 HB2 GLU 76 HB1 GLU 76 4.418 3.640 6.435 597 HB3 GLU 76 HB2 GLU 76 4.927 1.980 6.799 598 HG2 GLU 76 HG1 GLU 76 5.133 3.301 8.778 599 HG3 GLU 76 HG2 GLU 76 6.759 2.898 8.229 600 H LEU 77 H LEU 77 4.348 2.524 3.947 601 HA LEU 77 HA LEU 77 4.554 4.456 1.872 602 HB2 LEU 77 HB1 LEU 77 2.662 2.348 2.891 603 HB3 LEU 77 HB2 LEU 77 2.033 3.563 1.739 604 HG LEU 77 HG LEU 77 3.802 3.021 0.187 605 HD11 LEU 77 HD11 LEU 77 5.517 1.993 1.579 606 HD12 LEU 77 HD12 LEU 77 4.994 0.831 0.352 607 HD13 LEU 77 HD13 LEU 77 4.402 0.680 2.008 608 HD21 LEU 77 HD21 LEU 77 1.958 0.729 0.939 609 HD22 LEU 77 HD22 LEU 77 2.782 0.929 -0.628 610 HD23 LEU 77 HD23 LEU 77 1.583 2.110 -0.113 611 H LYS 78 H LYS 78 2.812 4.501 4.816 612 HA LYS 78 HA LYS 78 2.328 6.323 6.177 613 HB2 LYS 78 HB1 LYS 78 1.707 8.031 3.758 614 HB3 LYS 78 HB2 LYS 78 1.740 8.538 5.465 615 HG2 LYS 78 HG1 LYS 78 3.981 8.155 3.534 616 HG3 LYS 78 HG2 LYS 78 3.638 9.488 4.653 617 HD2 LYS 78 HD1 LYS 78 4.335 8.067 6.549 618 HD3 LYS 78 HD2 LYS 78 4.576 6.694 5.433 619 HE2 LYS 78 HE1 LYS 78 6.270 8.298 4.250 620 HE3 LYS 78 HE2 LYS 78 6.266 9.142 5.810 621 HZ1 LYS 78 HZ1 LYS 78 7.953 7.420 5.905 622 HZ2 LYS 78 HZ2 LYS 78 6.914 6.295 5.290 623 HZ3 LYS 78 HZ3 LYS 78 6.701 6.819 6.785 624 HA PRO 79 HA PRO 79 -1.975 5.090 5.932 625 HB2 PRO 79 HB1 PRO 79 -3.009 6.288 8.162 626 HB3 PRO 79 HB2 PRO 79 -1.940 4.851 8.184 627 HG2 PRO 79 HG1 PRO 79 -1.146 7.754 8.543 628 HG3 PRO 79 HG2 PRO 79 -0.722 6.357 9.595 629 HD2 PRO 79 HD1 PRO 79 0.994 7.244 7.690 630 HD3 PRO 79 HD2 PRO 79 0.781 5.493 7.976 631 H GLY 80 H GLY 80 -0.996 8.325 5.389 632 HA2 GLY 80 HA3 GLY 80 -3.680 8.861 4.234 633 HA3 GLY 80 HA2 GLY 80 -2.641 10.152 4.876 634 H GLY 81 H GLY 81 -0.411 8.186 3.404 635 HA2 GLY 81 HA3 GLY 81 -0.422 9.970 1.016 636 HA3 GLY 81 HA2 GLY 81 1.013 9.235 1.767 637 H TYR 82 H TYR 82 1.784 7.335 0.946 638 HA TYR 82 HA TYR 82 0.617 6.459 -1.572 639 HB2 TYR 82 HB1 TYR 82 2.990 5.459 0.016 640 HB3 TYR 82 HB2 TYR 82 2.485 4.803 -1.558 641 HD1 TYR 82 HD2 TYR 82 2.477 6.236 -3.576 642 HD2 TYR 82 HD1 TYR 82 4.257 7.507 0.136 643 HE1 TYR 82 HE2 TYR 82 3.775 7.939 -4.790 644 HE2 TYR 82 HE1 TYR 82 5.569 9.229 -1.084 645 HH TYR 82 HH TYR 82 6.030 10.182 -3.128 646 H HIS 83 H HIS 83 -0.218 4.416 -2.082 647 HA HIS 83 HA HIS 83 -0.619 2.408 -0.017 648 HB2 HIS 83 HB1 HIS 83 -3.045 2.558 0.210 649 HB3 HIS 83 HB2 HIS 83 -2.213 3.958 0.894 650 HD1 HIS 83 HD1 HIS 83 -2.405 6.298 -0.604 651 HD2 HIS 83 HD2 HIS 83 -4.675 2.953 -1.814 652 HE1 HIS 83 HE1 HIS 83 -3.971 7.119 -2.410 653 H PHE 84 H PHE 84 -1.663 0.510 -0.769 654 HA PHE 84 HA PHE 84 -1.873 0.236 -3.716 655 HB2 PHE 84 HB1 PHE 84 -2.283 -1.730 -1.429 656 HB3 PHE 84 HB2 PHE 84 -2.398 -2.112 -3.157 657 HD1 PHE 84 HD1 PHE 84 -0.404 -1.809 -4.642 658 HD2 PHE 84 HD2 PHE 84 -0.147 -1.471 -0.352 659 HE1 PHE 84 HE1 PHE 84 2.043 -1.799 -4.800 660 HE2 PHE 84 HE2 PHE 84 2.325 -1.408 -0.520 661 HZ PHE 84 HZ PHE 84 3.428 -1.553 -2.707 662 H MET 85 H MET 85 -3.767 0.433 -4.707 663 HA MET 85 HA MET 85 -6.344 0.367 -3.208 664 HB2 MET 85 HB1 MET 85 -5.616 1.780 -5.464 665 HB3 MET 85 HB2 MET 85 -6.468 0.373 -6.135 666 HG2 MET 85 HG1 MET 85 -8.119 2.043 -5.775 667 HG3 MET 85 HG2 MET 85 -8.341 0.843 -4.498 668 HE1 MET 85 HE1 MET 85 -9.942 3.483 -3.873 669 HE2 MET 85 HE2 MET 85 -9.686 2.011 -2.904 670 HE3 MET 85 HE3 MET 85 -9.418 3.602 -2.173 671 H LEU 86 H LEU 86 -7.404 -1.536 -3.082 672 HA LEU 86 HA LEU 86 -6.417 -3.901 -4.662 673 HB2 LEU 86 HB1 LEU 86 -7.726 -3.662 -1.938 674 HB3 LEU 86 HB2 LEU 86 -7.675 -5.183 -2.877 675 HG LEU 86 HG LEU 86 -5.244 -5.238 -2.726 676 HD11 LEU 86 HD11 LEU 86 -4.055 -3.742 -1.109 677 HD12 LEU 86 HD12 LEU 86 -5.505 -2.713 -1.023 678 HD13 LEU 86 HD13 LEU 86 -4.602 -2.889 -2.547 679 HD21 LEU 86 HD21 LEU 86 -6.640 -4.804 -0.043 680 HD22 LEU 86 HD22 LEU 86 -5.152 -5.742 -0.302 681 HD23 LEU 86 HD23 LEU 86 -6.679 -6.304 -0.996 682 H LEU 87 H LEU 87 -7.796 -4.721 -6.089 683 HA LEU 87 HA LEU 87 -10.724 -4.169 -5.861 684 HB2 LEU 87 HB1 LEU 87 -8.983 -4.011 -8.348 685 HB3 LEU 87 HB2 LEU 87 -10.766 -4.080 -8.351 686 HG LEU 87 HG LEU 87 -10.545 -1.920 -6.835 687 HD11 LEU 87 HD11 LEU 87 -8.053 -1.850 -6.661 688 HD12 LEU 87 HD12 LEU 87 -8.657 -0.461 -7.555 689 HD13 LEU 87 HD13 LEU 87 -7.927 -1.824 -8.426 690 HD21 LEU 87 HD21 LEU 87 -10.049 -1.936 -9.845 691 HD22 LEU 87 HD22 LEU 87 -10.661 -0.554 -8.904 692 HD23 LEU 87 HD23 LEU 87 -11.631 -2.029 -9.036 693 H GLY 88 H GLY 88 -12.074 -5.830 -6.471 694 HA2 GLY 88 HA3 GLY 88 -12.715 -8.018 -6.904 695 HA3 GLY 88 HA2 GLY 88 -11.160 -8.284 -7.724 696 H LEU 89 H LEU 89 -11.687 -7.223 -4.367 697 HA LEU 89 HA LEU 89 -9.934 -9.094 -3.218 698 HB2 LEU 89 HB1 LEU 89 -11.114 -8.519 -1.044 699 HB3 LEU 89 HB2 LEU 89 -10.170 -7.303 -1.914 700 HG LEU 89 HG LEU 89 -12.285 -6.260 -2.688 701 HD11 LEU 89 HD11 LEU 89 -13.873 -8.033 -2.811 702 HD12 LEU 89 HD12 LEU 89 -14.438 -7.012 -1.496 703 HD13 LEU 89 HD13 LEU 89 -13.593 -8.516 -1.121 704 HD21 LEU 89 HD21 LEU 89 -12.207 -6.670 0.321 705 HD22 LEU 89 HD22 LEU 89 -12.940 -5.308 -0.547 706 HD23 LEU 89 HD23 LEU 89 -11.190 -5.539 -0.602 707 H LYS 90 H LYS 90 -10.099 -10.754 -1.955 708 HA LYS 90 HA LYS 90 -12.283 -12.593 -2.845 709 HB2 LYS 90 HB1 LYS 90 -9.470 -13.196 -2.133 710 HB3 LYS 90 HB2 LYS 90 -10.734 -14.425 -2.438 711 HG2 LYS 90 HG1 LYS 90 -10.804 -14.004 -4.678 712 HG3 LYS 90 HG2 LYS 90 -10.633 -12.243 -4.508 713 HD2 LYS 90 HD1 LYS 90 -8.236 -12.544 -3.979 714 HD3 LYS 90 HD2 LYS 90 -8.429 -14.268 -4.330 715 HE2 LYS 90 HE1 LYS 90 -9.276 -13.559 -6.643 716 HE3 LYS 90 HE2 LYS 90 -8.845 -11.896 -6.239 717 HZ1 LYS 90 HZ1 LYS 90 -6.892 -14.121 -6.236 718 HZ2 LYS 90 HZ2 LYS 90 -6.576 -12.483 -6.234 719 HZ3 LYS 90 HZ3 LYS 90 -7.214 -13.226 -7.558 720 H ARG 91 H ARG 91 -11.376 -10.916 -0.083 721 HA ARG 91 HA ARG 91 -13.722 -12.086 1.199 722 HB2 ARG 91 HB1 ARG 91 -12.891 -12.087 3.393 723 HB3 ARG 91 HB2 ARG 91 -11.641 -12.899 2.425 724 HG2 ARG 91 HG1 ARG 91 -10.427 -10.643 2.396 725 HG3 ARG 91 HG2 ARG 91 -11.569 -10.098 3.633 726 HD2 ARG 91 HD1 ARG 91 -9.670 -12.459 3.885 727 HD3 ARG 91 HD2 ARG 91 -9.434 -10.848 4.603 728 HE ARG 91 HE ARG 91 -11.572 -11.313 5.887 729 HH11 ARG 91 HH12 ARG 91 -9.114 -13.745 5.221 730 HH12 ARG 91 HH11 ARG 91 -9.657 -14.801 6.479 731 HH21 ARG 91 HH22 ARG 91 -12.274 -12.750 7.469 732 HH22 ARG 91 HH21 ARG 91 -11.429 -14.255 7.739 733 HA PRO 92 HA PRO 92 -14.374 -7.504 1.562 734 HB2 PRO 92 HB1 PRO 92 -16.582 -7.555 3.174 735 HB3 PRO 92 HB2 PRO 92 -16.670 -7.787 1.400 736 HG2 PRO 92 HG1 PRO 92 -16.662 -9.897 3.568 737 HG3 PRO 92 HG2 PRO 92 -17.710 -9.801 2.110 738 HD2 PRO 92 HD1 PRO 92 -15.452 -11.383 2.259 739 HD3 PRO 92 HD2 PRO 92 -16.003 -10.635 0.734 740 H LEU 93 H LEU 93 -13.795 -6.187 3.380 741 HA LEU 93 HA LEU 93 -11.961 -7.744 5.138 742 HB2 LEU 93 HB1 LEU 93 -11.906 -5.008 3.809 743 HB3 LEU 93 HB2 LEU 93 -10.678 -5.520 4.973 744 HG LEU 93 HG LEU 93 -11.267 -7.134 2.462 745 HD11 LEU 93 HD11 LEU 93 -9.352 -5.935 1.418 746 HD12 LEU 93 HD12 LEU 93 -9.340 -4.813 2.804 747 HD13 LEU 93 HD13 LEU 93 -10.748 -4.886 1.736 748 HD21 LEU 93 HD21 LEU 93 -8.812 -6.883 4.239 749 HD22 LEU 93 HD22 LEU 93 -8.977 -7.950 2.824 750 HD23 LEU 93 HD23 LEU 93 -9.956 -8.241 4.272 751 H LYS 94 H LYS 94 -13.103 -8.049 6.984 752 HA LYS 94 HA LYS 94 -14.495 -5.864 8.321 753 HB2 LYS 94 HB1 LYS 94 -14.007 -8.796 8.766 754 HB3 LYS 94 HB2 LYS 94 -14.471 -7.784 10.165 755 HG2 LYS 94 HG1 LYS 94 -16.384 -8.886 9.148 756 HG3 LYS 94 HG2 LYS 94 -16.468 -7.106 9.119 757 HD2 LYS 94 HD1 LYS 94 -17.345 -7.579 7.107 758 HD3 LYS 94 HD2 LYS 94 -15.690 -7.376 6.625 759 HE2 LYS 94 HE1 LYS 94 -17.119 -10.026 7.227 760 HE3 LYS 94 HE2 LYS 94 -16.832 -9.358 5.602 761 HZ1 LYS 94 HZ1 LYS 94 -15.210 -11.048 6.121 762 HZ2 LYS 94 HZ2 LYS 94 -14.710 -10.329 7.475 763 HZ3 LYS 94 HZ3 LYS 94 -14.428 -9.630 6.038 764 H ALA 95 H ALA 95 -13.857 -4.710 9.915 765 HA ALA 95 HA ALA 95 -11.099 -4.223 10.548 766 HB1 ALA 95 HB1 ALA 95 -12.086 -2.716 12.245 767 HB2 ALA 95 HB2 ALA 95 -12.832 -2.518 10.638 768 HB3 ALA 95 HB3 ALA 95 -13.687 -3.401 11.931 769 H GLY 96 H GLY 96 -9.889 -5.648 11.529 770 HA2 GLY 96 HA3 GLY 96 -9.259 -6.738 13.654 771 HA3 GLY 96 HA2 GLY 96 -10.941 -7.302 13.781 772 H GLU 97 H GLU 97 -10.244 -7.676 10.553 773 HA GLU 97 HA GLU 97 -9.424 -10.494 10.776 774 HB2 GLU 97 HB1 GLU 97 -10.082 -8.680 8.428 775 HB3 GLU 97 HB2 GLU 97 -9.546 -10.370 8.228 776 HG2 GLU 97 HG1 GLU 97 -11.359 -11.147 9.645 777 HG3 GLU 97 HG2 GLU 97 -11.992 -9.520 9.811 778 H GLU 98 H GLU 98 -7.844 -10.904 8.634 779 HA GLU 98 HA GLU 98 -5.229 -9.761 9.162 780 HB2 GLU 98 HB1 GLU 98 -6.040 -12.653 9.658 781 HB3 GLU 98 HB2 GLU 98 -4.359 -12.091 9.479 782 HG2 GLU 98 HG1 GLU 98 -4.595 -10.675 11.463 783 HG3 GLU 98 HG2 GLU 98 -6.298 -11.146 11.635 784 H VAL 99 H VAL 99 -4.131 -9.857 7.453 785 HA VAL 99 HA VAL 99 -4.829 -11.225 4.899 786 HB VAL 99 HB VAL 99 -4.654 -8.209 5.429 787 HG11 VAL 99 HG11 VAL 99 -4.680 -9.698 2.798 788 HG12 VAL 99 HG12 VAL 99 -5.228 -8.015 2.938 789 HG13 VAL 99 HG13 VAL 99 -3.569 -8.426 3.350 790 HG21 VAL 99 HG21 VAL 99 -6.891 -9.078 5.964 791 HG22 VAL 99 HG22 VAL 99 -6.941 -8.165 4.468 792 HG23 VAL 99 HG23 VAL 99 -6.955 -9.942 4.416 793 H GLU 100 H GLU 100 -3.065 -11.016 3.297 794 HA GLU 100 HA GLU 100 -0.477 -9.954 4.315 795 HB2 GLU 100 HB1 GLU 100 -0.875 -12.521 2.747 796 HB3 GLU 100 HB2 GLU 100 0.672 -11.621 2.808 797 HG2 GLU 100 HG1 GLU 100 0.499 -11.823 5.355 798 HG3 GLU 100 HG2 GLU 100 -0.755 -13.036 5.079 799 H LEU 101 H LEU 101 0.821 -9.021 2.741 800 HA LEU 101 HA LEU 101 -0.198 -8.897 -0.036 801 HB2 LEU 101 HB1 LEU 101 0.626 -6.574 1.649 802 HB3 LEU 101 HB2 LEU 101 1.351 -6.682 0.008 803 HG LEU 101 HG LEU 101 -0.997 -6.883 -0.905 804 HD11 LEU 101 HD11 LEU 101 -2.242 -7.373 1.199 805 HD12 LEU 101 HD12 LEU 101 -2.834 -5.912 0.412 806 HD13 LEU 101 HD13 LEU 101 -1.777 -5.784 1.830 807 HD21 LEU 101 HD21 LEU 101 0.363 -4.854 -1.085 808 HD22 LEU 101 HD22 LEU 101 -0.238 -4.296 0.496 809 HD23 LEU 101 HD23 LEU 101 -1.351 -4.468 -0.882 810 H ASP 102 H ASP 102 1.150 -9.461 -1.464 811 HA ASP 102 HA ASP 102 3.952 -10.197 -0.917 812 HB2 ASP 102 HB1 ASP 102 2.425 -10.490 -3.496 813 HB3 ASP 102 HB2 ASP 102 3.844 -11.387 -2.969 814 H LEU 103 H LEU 103 5.626 -9.034 -1.874 815 HA LEU 103 HA LEU 103 4.977 -6.389 -3.080 816 HB2 LEU 103 HB1 LEU 103 7.227 -7.500 -1.373 817 HB3 LEU 103 HB2 LEU 103 7.303 -5.915 -2.196 818 HG LEU 103 HG LEU 103 5.335 -5.184 -0.917 819 HD11 LEU 103 HD11 LEU 103 4.786 -6.371 1.257 820 HD12 LEU 103 HD12 LEU 103 5.571 -7.808 0.566 821 HD13 LEU 103 HD13 LEU 103 4.125 -7.091 -0.194 822 HD21 LEU 103 HD21 LEU 103 6.580 -4.870 1.210 823 HD22 LEU 103 HD22 LEU 103 7.656 -4.723 -0.190 824 HD23 LEU 103 HD23 LEU 103 7.663 -6.211 0.778 825 H LEU 104 H LEU 104 5.422 -6.145 -5.181 826 HA LEU 104 HA LEU 104 7.256 -8.010 -6.589 827 HB2 LEU 104 HB1 LEU 104 5.347 -5.877 -7.592 828 HB3 LEU 104 HB2 LEU 104 6.280 -6.921 -8.639 829 HG LEU 104 HG LEU 104 4.004 -7.677 -6.765 830 HD11 LEU 104 HD11 LEU 104 4.310 -7.887 -9.790 831 HD12 LEU 104 HD12 LEU 104 3.335 -6.686 -8.916 832 HD13 LEU 104 HD13 LEU 104 2.892 -8.395 -8.847 833 HD21 LEU 104 HD21 LEU 104 5.758 -9.560 -8.404 834 HD22 LEU 104 HD22 LEU 104 4.223 -10.011 -7.627 835 HD23 LEU 104 HD23 LEU 104 5.598 -9.529 -6.633 836 H PHE 105 H PHE 105 9.281 -7.501 -6.387 837 HA PHE 105 HA PHE 105 10.188 -4.670 -6.402 838 HB2 PHE 105 HB1 PHE 105 11.392 -7.270 -5.465 839 HB3 PHE 105 HB2 PHE 105 12.330 -5.778 -5.595 840 HD1 PHE 105 HD1 PHE 105 11.182 -3.666 -4.378 841 HD2 PHE 105 HD2 PHE 105 10.425 -7.790 -3.384 842 HE1 PHE 105 HE1 PHE 105 10.554 -2.988 -2.083 843 HE2 PHE 105 HE2 PHE 105 9.839 -7.105 -1.077 844 HZ PHE 105 HZ PHE 105 9.946 -4.717 -0.410 845 H ALA 106 H ALA 106 11.646 -3.911 -7.821 846 HA ALA 106 HA ALA 106 11.292 -4.534 -10.421 847 HB1 ALA 106 HB1 ALA 106 13.174 -3.025 -10.918 848 HB2 ALA 106 HB2 ALA 106 12.174 -2.410 -9.589 849 HB3 ALA 106 HB3 ALA 106 13.745 -3.174 -9.240 850 H GLY 107 H GLY 107 11.796 -6.009 -11.805 851 HA2 GLY 107 HA3 GLY 107 12.959 -7.520 -13.078 852 HA3 GLY 107 HA2 GLY 107 14.443 -7.050 -12.221 853 H GLY 108 H GLY 108 11.443 -8.985 -11.785 854 HA2 GLY 108 HA3 GLY 108 11.159 -11.160 -11.190 855 HA3 GLY 108 HA2 GLY 108 12.909 -11.360 -11.429 856 H LYS 109 H LYS 109 11.835 -9.153 -8.888 857 HA LYS 109 HA LYS 109 12.753 -11.152 -6.850 858 HB2 LYS 109 HB1 LYS 109 12.882 -8.129 -6.964 859 HB3 LYS 109 HB2 LYS 109 13.143 -9.034 -5.458 860 HG2 LYS 109 HG1 LYS 109 15.057 -10.139 -6.317 861 HG3 LYS 109 HG2 LYS 109 14.651 -9.701 -7.984 862 HD2 LYS 109 HD1 LYS 109 14.912 -7.215 -7.006 863 HD3 LYS 109 HD2 LYS 109 15.892 -8.054 -5.777 864 HE2 LYS 109 HE1 LYS 109 17.424 -7.363 -7.479 865 HE3 LYS 109 HE2 LYS 109 17.178 -9.108 -7.720 866 HZ1 LYS 109 HZ1 LYS 109 15.695 -6.999 -9.216 867 HZ2 LYS 109 HZ2 LYS 109 15.651 -8.588 -9.511 868 HZ3 LYS 109 HZ3 LYS 109 17.037 -7.772 -9.805 869 H VAL 110 H VAL 110 11.442 -11.675 -5.202 870 HA VAL 110 HA VAL 110 9.003 -10.127 -4.665 871 HB VAL 110 HB VAL 110 8.526 -11.820 -6.429 872 HG11 VAL 110 HG11 VAL 110 8.849 -13.905 -4.240 873 HG12 VAL 110 HG12 VAL 110 8.274 -14.170 -5.897 874 HG13 VAL 110 HG13 VAL 110 9.951 -13.669 -5.618 875 HG21 VAL 110 HG21 VAL 110 6.735 -10.877 -4.962 876 HG22 VAL 110 HG22 VAL 110 6.375 -12.513 -5.542 877 HG23 VAL 110 HG23 VAL 110 6.925 -12.269 -3.874 878 H LEU 111 H LEU 111 8.054 -10.396 -2.711 879 HA LEU 111 HA LEU 111 8.916 -12.247 -0.669 880 HB2 LEU 111 HB1 LEU 111 10.722 -10.518 -0.679 881 HB3 LEU 111 HB2 LEU 111 9.501 -9.266 -0.385 882 HG LEU 111 HG LEU 111 9.107 -10.119 1.858 883 HD11 LEU 111 HD11 LEU 111 10.480 -11.984 2.793 884 HD12 LEU 111 HD12 LEU 111 11.101 -12.325 1.165 885 HD13 LEU 111 HD13 LEU 111 9.376 -12.543 1.535 886 HD21 LEU 111 HD21 LEU 111 12.087 -9.920 1.263 887 HD22 LEU 111 HD22 LEU 111 11.304 -9.649 2.835 888 HD23 LEU 111 HD23 LEU 111 10.975 -8.550 1.483 889 H LYS 112 H LYS 112 7.582 -11.449 1.511 890 HA LYS 112 HA LYS 112 5.198 -9.923 0.822 891 HB2 LYS 112 HB1 LYS 112 3.566 -11.580 1.311 892 HB3 LYS 112 HB2 LYS 112 4.610 -12.147 -0.010 893 HG2 LYS 112 HG1 LYS 112 5.823 -13.586 1.641 894 HG3 LYS 112 HG2 LYS 112 4.670 -13.068 2.891 895 HD2 LYS 112 HD1 LYS 112 2.795 -13.930 1.472 896 HD3 LYS 112 HD2 LYS 112 3.988 -14.481 0.266 897 HE2 LYS 112 HE1 LYS 112 3.475 -16.414 1.538 898 HE3 LYS 112 HE2 LYS 112 5.042 -15.849 2.148 899 HZ1 LYS 112 HZ1 LYS 112 2.365 -15.473 3.401 900 HZ2 LYS 112 HZ2 LYS 112 3.567 -14.626 3.885 901 HZ3 LYS 112 HZ3 LYS 112 3.640 -16.283 4.055 902 H VAL 113 H VAL 113 3.810 -9.421 2.616 903 HA VAL 113 HA VAL 113 5.073 -9.597 5.316 904 HB VAL 113 HB VAL 113 4.172 -6.925 4.237 905 HG11 VAL 113 HG11 VAL 113 4.199 -6.907 6.636 906 HG12 VAL 113 HG12 VAL 113 5.786 -7.713 6.687 907 HG13 VAL 113 HG13 VAL 113 5.626 -6.040 6.110 908 HG21 VAL 113 HG21 VAL 113 7.069 -7.910 4.378 909 HG22 VAL 113 HG22 VAL 113 6.175 -7.573 2.883 910 HG23 VAL 113 HG23 VAL 113 6.557 -6.255 3.984 911 H VAL 114 H VAL 114 3.628 -8.767 6.978 912 HA VAL 114 HA VAL 114 0.921 -9.921 6.541 913 HB VAL 114 HB VAL 114 2.531 -9.470 9.083 914 HG11 VAL 114 HG11 VAL 114 0.807 -10.960 10.165 915 HG12 VAL 114 HG12 VAL 114 0.153 -9.399 9.676 916 HG13 VAL 114 HG13 VAL 114 -0.173 -10.845 8.688 917 HG21 VAL 114 HG21 VAL 114 3.480 -11.265 7.690 918 HG22 VAL 114 HG22 VAL 114 2.704 -11.955 9.116 919 HG23 VAL 114 HG23 VAL 114 1.882 -12.028 7.543 920 H LEU 115 H LEU 115 -0.953 -8.928 7.184 921 HA LEU 115 HA LEU 115 -0.936 -6.141 8.191 922 HB2 LEU 115 HB1 LEU 115 -2.307 -7.048 5.640 923 HB3 LEU 115 HB2 LEU 115 -2.486 -5.464 6.432 924 HG LEU 115 HG LEU 115 0.177 -5.420 6.055 925 HD11 LEU 115 HD11 LEU 115 0.811 -6.423 3.935 926 HD12 LEU 115 HD12 LEU 115 -0.856 -6.988 3.649 927 HD13 LEU 115 HD13 LEU 115 0.118 -7.717 4.916 928 HD21 LEU 115 HD21 LEU 115 -1.372 -3.722 5.226 929 HD22 LEU 115 HD22 LEU 115 -1.888 -4.788 3.914 930 HD23 LEU 115 HD23 LEU 115 -0.224 -4.164 3.960 931 HA PRO 116 HA PRO 116 -4.829 -7.860 9.936 932 HB2 PRO 116 HB1 PRO 116 -5.166 -6.129 11.982 933 HB3 PRO 116 HB2 PRO 116 -4.006 -7.491 12.076 934 HG2 PRO 116 HG1 PRO 116 -3.439 -4.592 11.419 935 HG3 PRO 116 HG2 PRO 116 -2.530 -5.679 12.531 936 HD2 PRO 116 HD1 PRO 116 -1.798 -5.167 9.910 937 HD3 PRO 116 HD2 PRO 116 -1.391 -6.674 10.762 938 H VAL 117 H VAL 117 -6.989 -6.813 9.993 939 HA VAL 117 HA VAL 117 -7.161 -4.400 8.221 940 HB VAL 117 HB VAL 117 -9.316 -6.274 9.153 941 HG11 VAL 117 HG11 VAL 117 -10.251 -4.058 8.475 942 HG12 VAL 117 HG12 VAL 117 -9.352 -4.147 6.945 943 HG13 VAL 117 HG13 VAL 117 -10.663 -5.289 7.294 944 HG21 VAL 117 HG21 VAL 117 -7.800 -7.512 7.703 945 HG22 VAL 117 HG22 VAL 117 -9.283 -7.163 6.809 946 HG23 VAL 117 HG23 VAL 117 -7.823 -6.211 6.499 947 H GLU 118 H GLU 118 -8.117 -2.459 8.844 948 HA GLU 118 HA GLU 118 -8.823 -2.037 11.716 949 HB2 GLU 118 HB1 GLU 118 -6.642 -1.127 10.984 950 HB3 GLU 118 HB2 GLU 118 -7.452 -0.294 9.633 951 HG2 GLU 118 HG1 GLU 118 -8.829 0.934 11.372 952 HG3 GLU 118 HG2 GLU 118 -7.779 0.237 12.607 953 H ALA 119 H ALA 119 -10.623 -0.619 12.120 954 HA ALA 119 HA ALA 119 -12.410 0.052 9.858 955 HB1 ALA 119 HB1 ALA 119 -12.694 0.366 12.867 956 HB2 ALA 119 HB2 ALA 119 -13.852 0.996 11.686 957 HB3 ALA 119 HB3 ALA 119 -13.594 -0.737 11.788 958 H ARG 120 H ARG 120 -11.535 1.623 8.644 959 HA ARG 120 HA ARG 120 -11.909 4.317 9.504 960 HB2 ARG 120 HB1 ARG 120 -9.544 3.709 10.096 961 HB3 ARG 120 HB2 ARG 120 -9.244 3.306 8.405 962 HG2 ARG 120 HG1 ARG 120 -9.561 5.586 7.723 963 HG3 ARG 120 HG2 ARG 120 -10.291 6.025 9.279 964 HD2 ARG 120 HD1 ARG 120 -7.444 4.982 8.962 965 HD3 ARG 120 HD2 ARG 120 -7.836 6.705 8.971 966 HE ARG 120 HE ARG 120 -8.965 5.974 11.283 967 HH11 ARG 120 HH12 ARG 120 -5.971 4.752 10.077 968 HH12 ARG 120 HH11 ARG 120 -5.823 3.731 11.420 969 HH21 ARG 120 HH22 ARG 120 -8.491 4.667 13.053 970 HH22 ARG 120 HH21 ARG 120 -6.958 3.842 13.052 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 13.384 -6.365 7.317 2 H2 GLY 1 2H GLY 1 12.835 -7.004 5.912 3 H3 GLY 1 3H GLY 1 14.113 -7.717 6.725 4 HA2 GLY 1 HA3 GLY 1 12.222 -9.048 7.171 5 HA3 GLY 1 HA2 GLY 1 12.567 -8.081 8.624 6 H SER 2 H SER 2 10.281 -8.153 9.243 7 HA SER 2 HA SER 2 8.712 -5.960 8.447 8 HB2 SER 2 HB1 SER 2 6.775 -7.223 7.490 9 HB3 SER 2 HB2 SER 2 8.169 -7.155 6.394 10 HG SER 2 HG SER 2 7.287 -9.295 6.501 11 H PHE 3 H PHE 3 7.027 -5.708 9.977 12 HA PHE 3 HA PHE 3 7.037 -7.696 12.218 13 HB2 PHE 3 HB1 PHE 3 7.804 -4.781 12.154 14 HB3 PHE 3 HB2 PHE 3 7.359 -5.586 13.665 15 HD1 PHE 3 HD1 PHE 3 8.783 -7.349 14.638 16 HD2 PHE 3 HD2 PHE 3 9.952 -5.218 11.079 17 HE1 PHE 3 HE1 PHE 3 11.120 -8.128 14.933 18 HE2 PHE 3 HE2 PHE 3 12.280 -5.993 11.373 19 HZ PHE 3 HZ PHE 3 12.875 -7.455 13.303 20 H THR 4 H THR 4 4.883 -6.784 10.234 21 HA THR 4 HA THR 4 2.596 -6.722 10.289 22 HB THR 4 HB THR 4 2.343 -6.496 13.267 23 HG1 THR 4 HG1 THR 4 3.909 -7.951 13.228 24 HG21 THR 4 HG21 THR 4 1.092 -8.401 11.250 25 HG22 THR 4 HG22 THR 4 0.358 -6.858 11.756 26 HG23 THR 4 HG23 THR 4 0.609 -8.154 12.941 27 H GLU 5 H GLU 5 4.415 -4.195 10.720 28 HA GLU 5 HA GLU 5 2.644 -2.339 12.065 29 HB2 GLU 5 HB1 GLU 5 4.996 -1.330 10.567 30 HB3 GLU 5 HB2 GLU 5 4.380 -0.903 12.164 31 HG2 GLU 5 HG1 GLU 5 5.279 -3.133 12.986 32 HG3 GLU 5 HG2 GLU 5 6.043 -3.331 11.391 33 H GLY 6 H GLY 6 0.862 -2.900 10.550 34 HA2 GLY 6 HA3 GLY 6 0.562 -0.806 8.541 35 HA3 GLY 6 HA2 GLY 6 0.564 -2.458 7.884 36 H TRP 7 H TRP 7 -1.621 -1.245 7.294 37 HA TRP 7 HA TRP 7 -3.493 -2.890 8.635 38 HB2 TRP 7 HB1 TRP 7 -5.117 -1.288 9.364 39 HB3 TRP 7 HB2 TRP 7 -3.586 -0.956 10.166 40 HD1 TRP 7 HD TRP 7 -5.555 0.350 7.100 41 HE1 TRP 7 HE1 TRP 7 -5.474 2.884 7.071 42 HE3 TRP 7 3HE TRP 7 -2.396 1.088 11.059 43 HZ2 TRP 7 HZ2 TRP 7 -4.094 5.004 8.491 44 HZ3 TRP 7 HZ3 TRP 7 -1.744 3.388 11.719 45 HH2 TRP 7 HH TRP 7 -2.592 5.347 10.455 46 H VAL 8 H VAL 8 -5.497 -3.159 7.521 47 HA VAL 8 HA VAL 8 -5.475 -2.149 4.676 48 HB VAL 8 HB VAL 8 -6.787 -4.533 5.981 49 HG11 VAL 8 HG11 VAL 8 -7.195 -3.533 3.125 50 HG12 VAL 8 HG12 VAL 8 -7.702 -5.116 3.759 51 HG13 VAL 8 HG13 VAL 8 -8.448 -3.645 4.386 52 HG21 VAL 8 HG21 VAL 8 -4.760 -4.219 3.718 53 HG22 VAL 8 HG22 VAL 8 -4.452 -4.839 5.352 54 HG23 VAL 8 HG23 VAL 8 -5.463 -5.759 4.240 55 H ARG 9 H ARG 9 -7.086 -0.877 3.915 56 HA ARG 9 HA ARG 9 -8.772 0.507 5.825 57 HB2 ARG 9 HB1 ARG 9 -7.717 1.637 3.904 58 HB3 ARG 9 HB2 ARG 9 -8.729 0.678 2.801 59 HG2 ARG 9 HG1 ARG 9 -10.344 2.191 2.962 60 HG3 ARG 9 HG2 ARG 9 -10.502 1.898 4.693 61 HD2 ARG 9 HD1 ARG 9 -8.634 3.908 3.375 62 HD3 ARG 9 HD2 ARG 9 -10.163 4.272 4.214 63 HE ARG 9 HE ARG 9 -8.685 2.908 6.112 64 HH11 ARG 9 HH12 ARG 9 -8.112 5.945 4.383 65 HH12 ARG 9 HH11 ARG 9 -6.922 6.460 5.549 66 HH21 ARG 9 HH22 ARG 9 -7.524 3.679 7.609 67 HH22 ARG 9 HH21 ARG 9 -6.685 5.229 7.509 68 H PHE 10 H PHE 10 -10.477 -0.510 6.659 69 HA PHE 10 HA PHE 10 -11.819 -2.756 5.809 70 HB2 PHE 10 HB1 PHE 10 -12.452 -2.256 7.897 71 HB3 PHE 10 HB2 PHE 10 -12.332 -0.516 7.676 72 HD1 PHE 10 HD1 PHE 10 -14.497 -3.263 6.344 73 HD2 PHE 10 HD2 PHE 10 -14.335 0.621 8.182 74 HE1 PHE 10 HE1 PHE 10 -16.911 -3.022 5.998 75 HE2 PHE 10 HE2 PHE 10 -16.792 0.812 7.991 76 HZ PHE 10 HZ PHE 10 -18.108 -0.994 6.878 77 H SER 11 H SER 11 -13.310 -3.400 4.321 78 HA SER 11 HA SER 11 -15.289 -1.462 3.456 79 HB2 SER 11 HB1 SER 11 -13.458 -1.189 1.785 80 HB3 SER 11 HB2 SER 11 -13.533 -2.930 1.425 81 HG SER 11 HG SER 11 -14.618 -1.712 -0.099 82 HA PRO 12 HA PRO 12 -17.708 -5.267 3.101 83 HB2 PRO 12 HB1 PRO 12 -20.143 -4.240 2.632 84 HB3 PRO 12 HB2 PRO 12 -19.329 -3.917 4.194 85 HG2 PRO 12 HG1 PRO 12 -19.416 -2.128 1.742 86 HG3 PRO 12 HG2 PRO 12 -19.786 -1.683 3.449 87 HD2 PRO 12 HD1 PRO 12 -17.308 -1.306 2.247 88 HD3 PRO 12 HD2 PRO 12 -17.524 -1.590 3.997 89 H GLY 13 H GLY 13 -16.664 -3.193 0.633 90 HA2 GLY 13 HA3 GLY 13 -18.411 -4.315 -1.485 91 HA3 GLY 13 HA2 GLY 13 -17.496 -2.792 -1.557 92 HA PRO 14 HA PRO 14 -15.304 -6.271 -3.854 93 HB2 PRO 14 HB1 PRO 14 -15.144 -5.097 -6.325 94 HB3 PRO 14 HB2 PRO 14 -16.583 -5.986 -5.760 95 HG2 PRO 14 HG1 PRO 14 -16.099 -2.994 -5.711 96 HG3 PRO 14 HG2 PRO 14 -17.555 -3.870 -6.304 97 HD2 PRO 14 HD1 PRO 14 -17.447 -2.790 -3.804 98 HD3 PRO 14 HD2 PRO 14 -18.263 -4.351 -4.101 99 H ASN 15 H ASN 15 -14.634 -2.888 -3.395 100 HA ASN 15 HA ASN 15 -11.767 -3.218 -3.924 101 HB2 ASN 15 HB1 ASN 15 -11.957 -0.815 -4.619 102 HB3 ASN 15 HB2 ASN 15 -12.739 -2.001 -5.680 103 HD21 ASN 15 HD21 ASN 15 -13.418 0.512 -6.181 104 HD22 ASN 15 HD22 ASN 15 -15.041 0.821 -5.579 105 H ALA 16 H ALA 16 -10.329 -1.909 -2.870 106 HA ALA 16 HA ALA 16 -10.911 -0.565 -0.336 107 HB1 ALA 16 HB1 ALA 16 -9.503 -3.271 -0.392 108 HB2 ALA 16 HB2 ALA 16 -9.674 -2.223 1.037 109 HB3 ALA 16 HB3 ALA 16 -11.106 -2.914 0.282 110 H ALA 17 H ALA 17 -8.549 -0.524 0.880 111 HA ALA 17 HA ALA 17 -6.338 0.149 -0.973 112 HB1 ALA 17 HB1 ALA 17 -7.277 2.027 1.266 113 HB2 ALA 17 HB2 ALA 17 -5.927 2.295 0.153 114 HB3 ALA 17 HB3 ALA 17 -7.601 2.330 -0.440 115 H ALA 18 H ALA 18 -4.244 0.097 0.254 116 HA ALA 18 HA ALA 18 -4.374 -0.978 3.040 117 HB1 ALA 18 HB1 ALA 18 -2.858 -2.321 0.760 118 HB2 ALA 18 HB2 ALA 18 -2.897 -2.839 2.454 119 HB3 ALA 18 HB3 ALA 18 -4.375 -2.910 1.481 120 H TYR 19 H TYR 19 -2.531 -0.787 4.283 121 HA TYR 19 HA TYR 19 -0.293 0.974 3.383 122 HB2 TYR 19 HB1 TYR 19 -1.854 1.215 5.981 123 HB3 TYR 19 HB2 TYR 19 -0.549 2.266 5.431 124 HD1 TYR 19 HD1 TYR 19 -4.115 1.369 5.040 125 HD2 TYR 19 HD2 TYR 19 -0.976 4.061 3.822 126 HE1 TYR 19 HE1 TYR 19 -5.819 2.939 4.146 127 HE2 TYR 19 HE2 TYR 19 -2.676 5.671 2.989 128 HH TYR 19 HH TYR 19 -6.175 4.938 3.116 129 H LEU 20 H LEU 20 1.698 0.618 4.617 130 HA LEU 20 HA LEU 20 1.973 -1.236 6.741 131 HB2 LEU 20 HB1 LEU 20 2.910 -3.158 5.594 132 HB3 LEU 20 HB2 LEU 20 1.209 -2.959 5.225 133 HG LEU 20 HG LEU 20 3.478 -2.121 3.358 134 HD11 LEU 20 HD11 LEU 20 3.051 -4.213 2.170 135 HD12 LEU 20 HD12 LEU 20 1.813 -4.675 3.350 136 HD13 LEU 20 HD13 LEU 20 3.517 -4.547 3.847 137 HD21 LEU 20 HD21 LEU 20 0.466 -2.447 2.944 138 HD22 LEU 20 HD22 LEU 20 1.621 -2.435 1.607 139 HD23 LEU 20 HD23 LEU 20 1.464 -1.009 2.623 140 H THR 21 H THR 21 4.129 -2.226 6.882 141 HA THR 21 HA THR 21 6.102 -0.160 7.110 142 HB THR 21 HB THR 21 6.972 -2.945 7.671 143 HG1 THR 21 HG1 THR 21 4.674 -2.018 8.913 144 HG21 THR 21 HG21 THR 21 7.477 -2.040 9.863 145 HG22 THR 21 HG22 THR 21 6.750 -0.484 9.396 146 HG23 THR 21 HG23 THR 21 8.191 -1.094 8.562 147 H LEU 22 H LEU 22 8.102 0.042 6.178 148 HA LEU 22 HA LEU 22 8.894 -2.022 4.218 149 HB2 LEU 22 HB1 LEU 22 7.716 0.118 3.160 150 HB3 LEU 22 HB2 LEU 22 9.324 0.826 3.369 151 HG LEU 22 HG LEU 22 9.292 0.046 1.179 152 HD11 LEU 22 HD11 LEU 22 10.961 -1.650 0.982 153 HD12 LEU 22 HD12 LEU 22 10.532 -2.390 2.532 154 HD13 LEU 22 HD13 LEU 22 11.335 -0.812 2.489 155 HD21 LEU 22 HD21 LEU 22 8.104 -2.580 2.129 156 HD22 LEU 22 HD22 LEU 22 8.466 -2.116 0.450 157 HD23 LEU 22 HD23 LEU 22 7.211 -1.255 1.358 158 H GLU 23 H GLU 23 10.646 -2.701 5.021 159 HA GLU 23 HA GLU 23 12.794 -0.827 5.888 160 HB2 GLU 23 HB1 GLU 23 13.554 -2.439 7.530 161 HB3 GLU 23 HB2 GLU 23 11.894 -1.903 7.885 162 HG2 GLU 23 HG1 GLU 23 10.975 -3.975 7.059 163 HG3 GLU 23 HG2 GLU 23 12.589 -4.536 6.562 164 H ASN 24 H ASN 24 14.772 -1.168 5.085 165 HA ASN 24 HA ASN 24 15.121 -3.387 3.115 166 HB2 ASN 24 HB1 ASN 24 15.342 -0.965 2.473 167 HB3 ASN 24 HB2 ASN 24 16.778 -0.887 3.509 168 HD21 ASN 24 HD21 ASN 24 16.950 -0.365 0.758 169 HD22 ASN 24 HD22 ASN 24 17.952 -1.653 0.077 170 HA PRO 25 HA PRO 25 18.063 -4.943 6.236 171 HB2 PRO 25 HB1 PRO 25 18.086 -7.566 5.510 172 HB3 PRO 25 HB2 PRO 25 16.673 -6.841 6.336 173 HG2 PRO 25 HG1 PRO 25 17.071 -7.235 3.349 174 HG3 PRO 25 HG2 PRO 25 15.662 -7.749 4.333 175 HD2 PRO 25 HD1 PRO 25 15.692 -5.405 2.928 176 HD3 PRO 25 HD2 PRO 25 14.890 -5.518 4.518 177 H GLY 26 H GLY 26 18.385 -4.844 2.726 178 HA2 GLY 26 HA3 GLY 26 20.965 -6.218 2.668 179 HA3 GLY 26 HA2 GLY 26 20.062 -5.524 1.302 180 H ASP 27 H ASP 27 22.516 -4.979 1.070 181 HA ASP 27 HA ASP 27 23.303 -2.439 2.361 182 HB2 ASP 27 HB1 ASP 27 24.648 -4.809 1.033 183 HB3 ASP 27 HB2 ASP 27 25.497 -3.293 1.355 184 H LEU 28 H LEU 28 21.676 -3.343 -0.229 185 HA LEU 28 HA LEU 28 22.457 -1.042 -1.912 186 HB2 LEU 28 HB1 LEU 28 21.777 -2.337 -3.887 187 HB3 LEU 28 HB2 LEU 28 23.148 -3.051 -2.974 188 HG LEU 28 HG LEU 28 21.406 -4.655 -1.969 189 HD11 LEU 28 HD11 LEU 28 19.472 -5.170 -3.489 190 HD12 LEU 28 HD12 LEU 28 19.792 -3.660 -4.365 191 HD13 LEU 28 HD13 LEU 28 19.290 -3.632 -2.662 192 HD21 LEU 28 HD21 LEU 28 22.066 -4.800 -4.942 193 HD22 LEU 28 HD22 LEU 28 21.611 -6.171 -3.904 194 HD23 LEU 28 HD23 LEU 28 23.125 -5.308 -3.607 195 HA PRO 29 HA PRO 29 18.360 0.257 -1.130 196 HB2 PRO 29 HB1 PRO 29 17.558 1.676 -3.307 197 HB3 PRO 29 HB2 PRO 29 18.905 2.200 -2.248 198 HG2 PRO 29 HG1 PRO 29 19.063 0.744 -4.891 199 HG3 PRO 29 HG2 PRO 29 20.041 2.145 -4.330 200 HD2 PRO 29 HD1 PRO 29 20.885 -0.494 -4.219 201 HD3 PRO 29 HD2 PRO 29 21.451 0.732 -3.066 202 H LEU 30 H LEU 30 16.180 -0.226 -1.341 203 HA LEU 30 HA LEU 30 15.432 -2.344 -3.295 204 HB2 LEU 30 HB1 LEU 30 14.440 -1.698 -0.509 205 HB3 LEU 30 HB2 LEU 30 13.397 -2.579 -1.645 206 HG LEU 30 HG LEU 30 16.164 -3.482 -0.879 207 HD11 LEU 30 HD11 LEU 30 13.462 -4.474 0.182 208 HD12 LEU 30 HD12 LEU 30 14.528 -3.383 1.070 209 HD13 LEU 30 HD13 LEU 30 15.071 -5.031 0.697 210 HD21 LEU 30 HD21 LEU 30 15.379 -5.697 -1.673 211 HD22 LEU 30 HD22 LEU 30 15.418 -4.495 -2.972 212 HD23 LEU 30 HD23 LEU 30 13.867 -4.947 -2.222 213 H ARG 31 H ARG 31 13.587 -2.281 -4.225 214 HA ARG 31 HA ARG 31 12.166 0.332 -4.506 215 HB2 ARG 31 HB1 ARG 31 14.001 -0.010 -6.249 216 HB3 ARG 31 HB2 ARG 31 13.031 -1.368 -6.868 217 HG2 ARG 31 HG1 ARG 31 11.261 0.070 -7.528 218 HG3 ARG 31 HG2 ARG 31 11.828 1.402 -6.496 219 HD2 ARG 31 HD1 ARG 31 13.311 0.403 -8.952 220 HD3 ARG 31 HD2 ARG 31 12.195 1.788 -8.931 221 HE ARG 31 HE ARG 31 14.140 2.107 -6.862 222 HH11 ARG 31 HH12 ARG 31 13.859 2.574 -10.355 223 HH12 ARG 31 HH11 ARG 31 15.267 3.604 -10.400 224 HH21 ARG 31 HH22 ARG 31 15.849 3.387 -6.961 225 HH22 ARG 31 HH21 ARG 31 16.350 4.142 -8.444 226 H LEU 32 H LEU 32 10.159 -0.081 -3.935 227 HA LEU 32 HA LEU 32 8.886 -2.725 -4.341 228 HB2 LEU 32 HB1 LEU 32 8.630 -1.616 -2.210 229 HB3 LEU 32 HB2 LEU 32 8.050 -0.126 -2.963 230 HG LEU 32 HG LEU 32 6.523 -2.577 -3.715 231 HD11 LEU 32 HD11 LEU 32 7.158 -3.115 -1.381 232 HD12 LEU 32 HD12 LEU 32 5.422 -2.936 -1.602 233 HD13 LEU 32 HD13 LEU 32 6.349 -1.624 -0.839 234 HD21 LEU 32 HD21 LEU 32 6.002 0.064 -3.975 235 HD22 LEU 32 HD22 LEU 32 5.263 -0.178 -2.396 236 HD23 LEU 32 HD23 LEU 32 4.743 -1.135 -3.812 237 H VAL 33 H VAL 33 7.892 -3.129 -6.264 238 HA VAL 33 HA VAL 33 7.097 -0.776 -7.988 239 HB VAL 33 HB VAL 33 7.418 -2.310 -9.922 240 HG11 VAL 33 HG11 VAL 33 9.881 -2.044 -8.147 241 HG12 VAL 33 HG12 VAL 33 9.886 -2.382 -9.890 242 HG13 VAL 33 HG13 VAL 33 9.271 -0.839 -9.300 243 HG21 VAL 33 HG21 VAL 33 8.592 -4.430 -9.723 244 HG22 VAL 33 HG22 VAL 33 8.682 -4.280 -7.965 245 HG23 VAL 33 HG23 VAL 33 7.113 -4.520 -8.766 246 H GLY 34 H GLY 34 5.908 -3.588 -6.320 247 HA2 GLY 34 HA3 GLY 34 3.170 -3.120 -7.157 248 HA3 GLY 34 HA2 GLY 34 3.829 -4.685 -7.683 249 H ALA 35 H ALA 35 1.864 -5.151 -6.268 250 HA ALA 35 HA ALA 35 2.987 -6.441 -3.913 251 HB1 ALA 35 HB1 ALA 35 2.118 -4.588 -2.757 252 HB2 ALA 35 HB2 ALA 35 0.638 -4.543 -3.735 253 HB3 ALA 35 HB3 ALA 35 0.897 -5.827 -2.539 254 H ARG 36 H ARG 36 1.025 -7.804 -2.998 255 HA ARG 36 HA ARG 36 -0.933 -8.817 -4.860 256 HB2 ARG 36 HB1 ARG 36 1.626 -10.211 -4.556 257 HB3 ARG 36 HB2 ARG 36 0.264 -11.226 -4.073 258 HG2 ARG 36 HG1 ARG 36 -0.674 -10.256 -6.443 259 HG3 ARG 36 HG2 ARG 36 1.091 -10.220 -6.736 260 HD2 ARG 36 HD1 ARG 36 0.402 -12.369 -7.460 261 HD3 ARG 36 HD2 ARG 36 1.135 -12.647 -5.886 262 HE ARG 36 HE ARG 36 -1.781 -12.625 -6.569 263 HH11 ARG 36 HH12 ARG 36 0.568 -13.361 -3.905 264 HH12 ARG 36 HH11 ARG 36 -0.542 -14.478 -3.226 265 HH21 ARG 36 HH22 ARG 36 -3.125 -13.968 -5.463 266 HH22 ARG 36 HH21 ARG 36 -2.575 -14.797 -4.042 267 H THR 37 H THR 37 -2.036 -10.793 -3.657 268 HA THR 37 HA THR 37 -2.116 -10.942 -0.798 269 HB THR 37 HB THR 37 -2.913 -8.747 -0.709 270 HG1 THR 37 HG1 THR 37 -4.138 -9.828 0.535 271 HG21 THR 37 HG21 THR 37 -3.519 -8.207 -3.013 272 HG22 THR 37 HG22 THR 37 -4.941 -7.970 -1.996 273 HG23 THR 37 HG23 THR 37 -4.809 -9.430 -3.001 274 HA PRO 38 HA PRO 38 -4.781 -14.224 -2.425 275 HB2 PRO 38 HB1 PRO 38 -6.027 -15.175 -0.204 276 HB3 PRO 38 HB2 PRO 38 -4.270 -15.371 -0.535 277 HG2 PRO 38 HG1 PRO 38 -5.583 -13.352 1.266 278 HG3 PRO 38 HG2 PRO 38 -4.162 -14.402 1.613 279 HD2 PRO 38 HD1 PRO 38 -3.990 -11.784 0.730 280 HD3 PRO 38 HD2 PRO 38 -2.736 -12.980 0.366 281 H VAL 39 H VAL 39 -5.936 -11.324 -1.094 282 HA VAL 39 HA VAL 39 -8.718 -11.876 -2.076 283 HB VAL 39 HB VAL 39 -9.612 -10.425 -0.331 284 HG11 VAL 39 HG11 VAL 39 -9.545 -12.852 -0.015 285 HG12 VAL 39 HG12 VAL 39 -7.950 -12.731 0.754 286 HG13 VAL 39 HG13 VAL 39 -9.356 -11.987 1.524 287 HG21 VAL 39 HG21 VAL 39 -8.292 -9.736 1.603 288 HG22 VAL 39 HG22 VAL 39 -6.833 -10.492 0.942 289 HG23 VAL 39 HG23 VAL 39 -7.523 -9.053 0.165 290 H ALA 40 H ALA 40 -7.006 -10.902 -3.956 291 HA ALA 40 HA ALA 40 -8.716 -8.790 -4.894 292 HB1 ALA 40 HB1 ALA 40 -7.113 -7.394 -3.496 293 HB2 ALA 40 HB2 ALA 40 -5.803 -7.941 -4.570 294 HB3 ALA 40 HB3 ALA 40 -7.141 -6.995 -5.214 295 H GLU 41 H GLU 41 -8.450 -8.362 -7.089 296 HA GLU 41 HA GLU 41 -6.896 -10.268 -8.755 297 HB2 GLU 41 HB1 GLU 41 -9.429 -9.440 -8.954 298 HB3 GLU 41 HB2 GLU 41 -8.705 -8.069 -9.800 299 HG2 GLU 41 HG1 GLU 41 -9.170 -9.517 -11.563 300 HG3 GLU 41 HG2 GLU 41 -7.502 -9.983 -11.225 301 H ARG 42 H ARG 42 -6.894 -6.946 -7.722 302 HA ARG 42 HA ARG 42 -4.707 -6.015 -9.469 303 HB2 ARG 42 HB1 ARG 42 -7.439 -4.766 -8.977 304 HB3 ARG 42 HB2 ARG 42 -6.120 -3.905 -9.745 305 HG2 ARG 42 HG1 ARG 42 -7.495 -6.382 -10.852 306 HG3 ARG 42 HG2 ARG 42 -7.885 -4.690 -11.290 307 HD2 ARG 42 HD1 ARG 42 -6.612 -5.635 -13.062 308 HD3 ARG 42 HD2 ARG 42 -5.610 -4.448 -12.246 309 HE ARG 42 HE ARG 42 -5.431 -7.379 -11.607 310 HH11 ARG 42 HH12 ARG 42 -3.723 -4.369 -11.979 311 HH12 ARG 42 HH11 ARG 42 -2.194 -5.099 -11.841 312 HH21 ARG 42 HH22 ARG 42 -3.514 -8.248 -11.297 313 HH22 ARG 42 HH21 ARG 42 -2.039 -7.305 -11.431 314 H VAL 43 H VAL 43 -3.477 -4.431 -8.457 315 HA VAL 43 HA VAL 43 -3.950 -3.670 -5.673 316 HB VAL 43 HB VAL 43 -3.506 -5.947 -5.499 317 HG11 VAL 43 HG11 VAL 43 -1.901 -6.234 -7.433 318 HG12 VAL 43 HG12 VAL 43 -0.618 -5.563 -6.410 319 HG13 VAL 43 HG13 VAL 43 -1.449 -7.062 -5.951 320 HG21 VAL 43 HG21 VAL 43 -1.450 -4.161 -4.194 321 HG22 VAL 43 HG22 VAL 43 -3.046 -4.610 -3.597 322 HG23 VAL 43 HG23 VAL 43 -1.771 -5.839 -3.689 323 H GLU 44 H GLU 44 -3.774 -1.970 -7.093 324 HA GLU 44 HA GLU 44 -1.130 -1.337 -8.278 325 HB2 GLU 44 HB1 GLU 44 -3.933 -0.482 -8.858 326 HB3 GLU 44 HB2 GLU 44 -2.573 0.574 -9.360 327 HG2 GLU 44 HG1 GLU 44 -3.045 -0.795 -11.211 328 HG3 GLU 44 HG2 GLU 44 -1.540 -1.399 -10.519 329 H LEU 45 H LEU 45 0.171 0.301 -7.900 330 HA LEU 45 HA LEU 45 0.019 1.345 -5.213 331 HB2 LEU 45 HB1 LEU 45 1.931 0.156 -6.232 332 HB3 LEU 45 HB2 LEU 45 2.108 1.467 -7.421 333 HG LEU 45 HG LEU 45 2.574 3.021 -5.459 334 HD11 LEU 45 HD11 LEU 45 3.328 2.028 -3.354 335 HD12 LEU 45 HD12 LEU 45 2.911 0.412 -3.942 336 HD13 LEU 45 HD13 LEU 45 1.628 1.606 -3.624 337 HD21 LEU 45 HD21 LEU 45 4.296 2.034 -6.952 338 HD22 LEU 45 HD22 LEU 45 4.393 0.616 -5.881 339 HD23 LEU 45 HD23 LEU 45 4.899 2.223 -5.300 340 H HIS 46 H HIS 46 -0.680 3.280 -4.610 341 HA HIS 46 HA HIS 46 -0.677 5.562 -6.539 342 HB2 HIS 46 HB1 HIS 46 -2.629 4.734 -4.360 343 HB3 HIS 46 HB2 HIS 46 -2.716 6.281 -5.211 344 HD2 HIS 46 HD2 HIS 46 -2.081 3.888 -7.908 345 HE1 HIS 46 HE1 HIS 46 -6.263 3.540 -7.235 346 HE2 HIS 46 HE2 HIS 46 -4.332 2.971 -8.867 347 H GLU 47 H GLU 47 -0.487 7.568 -5.798 348 HA GLU 47 HA GLU 47 0.599 8.117 -3.077 349 HB2 GLU 47 HB1 GLU 47 1.452 10.163 -3.946 350 HB3 GLU 47 HB2 GLU 47 1.926 8.828 -5.034 351 HG2 GLU 47 HG1 GLU 47 0.198 9.440 -6.615 352 HG3 GLU 47 HG2 GLU 47 -0.405 10.719 -5.548 353 H THR 48 H THR 48 -0.208 10.312 -2.173 354 HA THR 48 HA THR 48 -2.907 11.215 -2.980 355 HB THR 48 HB THR 48 -2.231 10.143 -0.203 356 HG1 THR 48 HG1 THR 48 -3.055 9.071 -2.443 357 HG21 THR 48 HG21 THR 48 -4.842 11.296 -1.321 358 HG22 THR 48 HG22 THR 48 -3.843 12.016 -0.033 359 HG23 THR 48 HG23 THR 48 -4.660 10.475 0.248 360 H PHE 49 H PHE 49 -3.258 13.336 -2.348 361 HA PHE 49 HA PHE 49 -1.137 14.826 -0.949 362 HB2 PHE 49 HB1 PHE 49 -0.649 16.172 -2.981 363 HB3 PHE 49 HB2 PHE 49 -0.097 14.500 -3.064 364 HD1 PHE 49 HD1 PHE 49 -2.878 16.771 -4.140 365 HD2 PHE 49 HD2 PHE 49 -0.667 13.167 -5.029 366 HE1 PHE 49 HE1 PHE 49 -3.964 16.650 -6.346 367 HE2 PHE 49 HE2 PHE 49 -1.706 13.066 -7.204 368 HZ PHE 49 HZ PHE 49 -3.403 14.787 -7.911 369 H MET 50 H MET 50 -1.449 17.159 -1.074 370 HA MET 50 HA MET 50 -4.295 18.047 -1.337 371 HB2 MET 50 HB1 MET 50 -2.095 18.995 0.419 372 HB3 MET 50 HB2 MET 50 -3.038 20.275 -0.408 373 HG2 MET 50 HG1 MET 50 -5.120 18.994 0.391 374 HG3 MET 50 HG2 MET 50 -4.041 18.180 1.524 375 HE1 MET 50 HE1 MET 50 -6.474 19.587 2.656 376 HE2 MET 50 HE2 MET 50 -6.408 21.339 2.940 377 HE3 MET 50 HE3 MET 50 -6.602 20.719 1.285 378 H ARG 51 H ARG 51 -4.714 19.959 -2.541 379 HA ARG 51 HA ARG 51 -2.749 20.842 -4.524 380 HB2 ARG 51 HB1 ARG 51 -4.103 18.539 -5.069 381 HB3 ARG 51 HB2 ARG 51 -5.202 19.717 -5.779 382 HG2 ARG 51 HG1 ARG 51 -2.288 20.002 -6.437 383 HG3 ARG 51 HG2 ARG 51 -3.147 18.596 -7.128 384 HD2 ARG 51 HD1 ARG 51 -4.806 20.037 -8.149 385 HD3 ARG 51 HD2 ARG 51 -4.049 21.464 -7.418 386 HE ARG 51 HE ARG 51 -2.190 19.941 -8.998 387 HH11 ARG 51 HH12 ARG 51 -4.611 22.530 -9.184 388 HH12 ARG 51 HH11 ARG 51 -4.123 22.996 -10.783 389 HH21 ARG 51 HH22 ARG 51 -1.586 20.580 -11.034 390 HH22 ARG 51 HH21 ARG 51 -2.379 21.907 -11.825 391 H GLU 52 H GLU 52 -3.566 22.732 -5.779 392 HA GLU 52 HA GLU 52 -5.907 24.082 -4.612 393 HB2 GLU 52 HB1 GLU 52 -3.544 25.026 -4.764 394 HB3 GLU 52 HB2 GLU 52 -3.734 25.002 -6.533 395 HG2 GLU 52 HG1 GLU 52 -4.387 27.149 -6.051 396 HG3 GLU 52 HG2 GLU 52 -5.951 26.361 -6.014 397 H VAL 53 H VAL 53 -7.731 24.428 -5.835 398 HA VAL 53 HA VAL 53 -7.461 24.643 -8.793 399 HB VAL 53 HB VAL 53 -9.681 23.111 -7.350 400 HG11 VAL 53 HG11 VAL 53 -9.502 24.014 -10.265 401 HG12 VAL 53 HG12 VAL 53 -10.662 22.813 -9.655 402 HG13 VAL 53 HG13 VAL 53 -10.740 24.469 -9.068 403 HG21 VAL 53 HG21 VAL 53 -7.706 21.709 -7.817 404 HG22 VAL 53 HG22 VAL 53 -9.042 21.250 -8.873 405 HG23 VAL 53 HG23 VAL 53 -7.710 22.236 -9.515 406 H GLU 54 H GLU 54 -8.253 26.627 -9.383 407 HA GLU 54 HA GLU 54 -9.095 28.744 -9.254 408 HB2 GLU 54 HB1 GLU 54 -11.204 27.418 -7.552 409 HB3 GLU 54 HB2 GLU 54 -11.362 29.027 -8.273 410 HG2 GLU 54 HG1 GLU 54 -11.636 28.149 -10.451 411 HG3 GLU 54 HG2 GLU 54 -11.105 26.527 -9.960 412 H GLY 55 H GLY 55 -7.199 27.941 -6.980 413 HA2 GLY 55 HA3 GLY 55 -6.301 29.067 -5.135 414 HA3 GLY 55 HA2 GLY 55 -7.624 30.252 -5.230 415 H LYS 56 H LYS 56 -8.698 27.020 -5.178 416 HA LYS 56 HA LYS 56 -9.488 27.131 -2.326 417 HB2 LYS 56 HB1 LYS 56 -10.992 25.970 -4.696 418 HB3 LYS 56 HB2 LYS 56 -11.438 25.728 -2.987 419 HG2 LYS 56 HG1 LYS 56 -11.887 28.075 -2.698 420 HG3 LYS 56 HG2 LYS 56 -11.266 28.475 -4.307 421 HD2 LYS 56 HD1 LYS 56 -13.681 26.672 -3.851 422 HD3 LYS 56 HD2 LYS 56 -13.781 28.439 -4.100 423 HE2 LYS 56 HE1 LYS 56 -12.595 28.195 -6.248 424 HE3 LYS 56 HE2 LYS 56 -12.536 26.437 -6.046 425 HZ1 LYS 56 HZ1 LYS 56 -14.972 26.442 -6.176 426 HZ2 LYS 56 HZ2 LYS 56 -14.248 27.046 -7.506 427 HZ3 LYS 56 HZ3 LYS 56 -14.944 28.087 -6.488 428 H LYS 57 H LYS 57 -8.604 25.700 -1.212 429 HA LYS 57 HA LYS 57 -6.781 23.735 -2.231 430 HB2 LYS 57 HB1 LYS 57 -7.717 24.249 0.611 431 HB3 LYS 57 HB2 LYS 57 -6.372 23.169 0.124 432 HG2 LYS 57 HG1 LYS 57 -5.172 25.010 0.659 433 HG3 LYS 57 HG2 LYS 57 -5.449 25.348 -1.044 434 HD2 LYS 57 HD1 LYS 57 -7.499 26.747 -0.208 435 HD3 LYS 57 HD2 LYS 57 -6.778 26.552 1.415 436 HE2 LYS 57 HE1 LYS 57 -5.904 28.609 0.704 437 HE3 LYS 57 HE2 LYS 57 -4.602 27.462 0.318 438 HZ1 LYS 57 HZ1 LYS 57 -5.586 27.407 -1.996 439 HZ2 LYS 57 HZ2 LYS 57 -4.922 28.804 -1.623 440 HZ3 LYS 57 HZ3 LYS 57 -6.559 28.636 -1.603 441 H VAL 58 H VAL 58 -7.243 21.817 -2.911 442 HA VAL 58 HA VAL 58 -9.469 20.157 -1.839 443 HB VAL 58 HB VAL 58 -9.561 19.167 -4.095 444 HG11 VAL 58 HG11 VAL 58 -10.865 20.936 -5.158 445 HG12 VAL 58 HG12 VAL 58 -11.176 20.909 -3.414 446 HG13 VAL 58 HG13 VAL 58 -10.120 22.158 -4.110 447 HG21 VAL 58 HG21 VAL 58 -7.312 19.796 -4.936 448 HG22 VAL 58 HG22 VAL 58 -8.615 20.217 -6.053 449 HG23 VAL 58 HG23 VAL 58 -7.859 21.486 -5.076 450 H MET 59 H MET 59 -8.905 17.750 -2.777 451 HA MET 59 HA MET 59 -6.042 17.109 -2.231 452 HB2 MET 59 HB1 MET 59 -8.495 15.832 -0.988 453 HB3 MET 59 HB2 MET 59 -6.918 15.003 -1.064 454 HG2 MET 59 HG1 MET 59 -5.849 16.723 0.207 455 HG3 MET 59 HG2 MET 59 -7.271 17.764 0.155 456 HE1 MET 59 HE1 MET 59 -9.617 17.042 1.208 457 HE2 MET 59 HE2 MET 59 -9.474 16.730 2.950 458 HE3 MET 59 HE3 MET 59 -8.616 18.106 2.228 459 H GLY 60 H GLY 60 -5.419 14.951 -3.043 460 HA2 GLY 60 HA3 GLY 60 -7.021 13.894 -5.256 461 HA3 GLY 60 HA2 GLY 60 -5.541 14.756 -5.733 462 H MET 61 H MET 61 -5.616 12.367 -6.572 463 HA MET 61 HA MET 61 -3.594 10.793 -5.194 464 HB2 MET 61 HB1 MET 61 -5.485 9.939 -4.012 465 HB3 MET 61 HB2 MET 61 -6.515 10.010 -5.460 466 HG2 MET 61 HG1 MET 61 -5.008 8.183 -6.409 467 HG3 MET 61 HG2 MET 61 -4.380 7.989 -4.782 468 HE1 MET 61 HE1 MET 61 -6.756 8.220 -2.852 469 HE2 MET 61 HE2 MET 61 -7.952 8.877 -4.005 470 HE3 MET 61 HE3 MET 61 -8.232 7.294 -3.236 471 H ARG 62 H ARG 62 -2.461 9.653 -6.544 472 HA ARG 62 HA ARG 62 -3.270 9.280 -9.383 473 HB2 ARG 62 HB1 ARG 62 -0.846 10.710 -8.248 474 HB3 ARG 62 HB2 ARG 62 -0.818 10.064 -9.885 475 HG2 ARG 62 HG1 ARG 62 -2.803 12.128 -8.871 476 HG3 ARG 62 HG2 ARG 62 -1.277 12.502 -9.696 477 HD2 ARG 62 HD1 ARG 62 -2.880 12.667 -11.413 478 HD3 ARG 62 HD2 ARG 62 -2.253 11.029 -11.636 479 HE ARG 62 HE ARG 62 -4.424 11.075 -9.752 480 HH11 ARG 62 HH12 ARG 62 -4.056 11.208 -13.269 481 HH12 ARG 62 HH11 ARG 62 -5.653 10.566 -13.539 482 HH21 ARG 62 HH22 ARG 62 -6.304 10.258 -10.088 483 HH22 ARG 62 HH21 ARG 62 -6.984 10.067 -11.687 484 HA PRO 63 HA PRO 63 -0.998 5.489 -8.599 485 HB2 PRO 63 HB1 PRO 63 -0.644 4.462 -11.051 486 HB3 PRO 63 HB2 PRO 63 -2.285 4.609 -10.355 487 HG2 PRO 63 HG1 PRO 63 -0.905 6.511 -12.275 488 HG3 PRO 63 HG2 PRO 63 -2.566 5.828 -12.398 489 HD2 PRO 63 HD1 PRO 63 -2.013 8.328 -11.330 490 HD3 PRO 63 HD2 PRO 63 -3.384 7.321 -10.782 491 H VAL 64 H VAL 64 1.160 4.721 -8.686 492 HA VAL 64 HA VAL 64 3.166 6.543 -9.937 493 HB VAL 64 HB VAL 64 4.515 6.500 -7.861 494 HG11 VAL 64 HG11 VAL 64 3.345 8.241 -6.720 495 HG12 VAL 64 HG12 VAL 64 3.028 8.416 -8.450 496 HG13 VAL 64 HG13 VAL 64 1.778 7.726 -7.388 497 HG21 VAL 64 HG21 VAL 64 3.620 4.530 -6.743 498 HG22 VAL 64 HG22 VAL 64 3.529 5.949 -5.696 499 HG23 VAL 64 HG23 VAL 64 2.059 5.352 -6.484 500 HA PRO 65 HA PRO 65 4.894 2.864 -11.310 501 HB2 PRO 65 HB1 PRO 65 7.460 3.449 -11.892 502 HB3 PRO 65 HB2 PRO 65 6.098 4.314 -12.667 503 HG2 PRO 65 HG1 PRO 65 7.741 5.209 -10.282 504 HG3 PRO 65 HG2 PRO 65 7.333 6.151 -11.760 505 HD2 PRO 65 HD1 PRO 65 5.894 6.350 -9.431 506 HD3 PRO 65 HD2 PRO 65 5.125 6.486 -11.030 507 H PHE 66 H PHE 66 6.480 4.110 -8.434 508 HA PHE 66 HA PHE 66 6.691 1.600 -7.162 509 HB2 PHE 66 HB1 PHE 66 9.130 1.318 -7.081 510 HB3 PHE 66 HB2 PHE 66 8.512 1.107 -8.709 511 HD1 PHE 66 HD1 PHE 66 10.349 3.344 -6.430 512 HD2 PHE 66 HD2 PHE 66 9.120 2.605 -10.463 513 HE1 PHE 66 HE1 PHE 66 11.820 5.167 -7.137 514 HE2 PHE 66 HE2 PHE 66 10.706 4.411 -11.261 515 HZ PHE 66 HZ PHE 66 12.047 5.696 -9.596 516 H LEU 67 H LEU 67 7.886 1.727 -5.126 517 HA LEU 67 HA LEU 67 8.503 4.489 -4.142 518 HB2 LEU 67 HB1 LEU 67 7.842 2.035 -2.461 519 HB3 LEU 67 HB2 LEU 67 8.164 3.663 -1.857 520 HG LEU 67 HG LEU 67 5.715 2.604 -3.300 521 HD11 LEU 67 HD11 LEU 67 4.576 3.420 -1.278 522 HD12 LEU 67 HD12 LEU 67 6.145 3.997 -0.642 523 HD13 LEU 67 HD13 LEU 67 5.860 2.252 -0.880 524 HD21 LEU 67 HD21 LEU 67 6.290 5.530 -2.652 525 HD22 LEU 67 HD22 LEU 67 4.735 4.851 -3.204 526 HD23 LEU 67 HD23 LEU 67 6.119 4.835 -4.279 527 H GLU 68 H GLU 68 10.432 4.632 -2.847 528 HA GLU 68 HA GLU 68 12.485 2.527 -3.455 529 HB2 GLU 68 HB1 GLU 68 12.780 4.623 -4.778 530 HB3 GLU 68 HB2 GLU 68 12.847 5.543 -3.253 531 HG2 GLU 68 HG1 GLU 68 15.081 5.309 -3.757 532 HG3 GLU 68 HG2 GLU 68 14.867 3.968 -2.650 533 H VAL 69 H VAL 69 13.733 1.884 -1.758 534 HA VAL 69 HA VAL 69 13.822 3.608 0.622 535 HB VAL 69 HB VAL 69 13.416 0.573 0.821 536 HG11 VAL 69 HG11 VAL 69 13.116 0.901 3.241 537 HG12 VAL 69 HG12 VAL 69 14.722 1.418 2.740 538 HG13 VAL 69 HG13 VAL 69 13.471 2.628 3.073 539 HG21 VAL 69 HG21 VAL 69 11.202 1.356 1.977 540 HG22 VAL 69 HG22 VAL 69 11.482 2.867 1.130 541 HG23 VAL 69 HG23 VAL 69 11.289 1.370 0.206 542 HA PRO 70 HA PRO 70 18.165 2.751 0.139 543 HB2 PRO 70 HB1 PRO 70 19.202 4.229 2.178 544 HB3 PRO 70 HB2 PRO 70 18.430 4.979 0.749 545 HG2 PRO 70 HG1 PRO 70 17.166 4.393 3.444 546 HG3 PRO 70 HG2 PRO 70 17.147 5.944 2.531 547 HD2 PRO 70 HD1 PRO 70 15.082 4.161 2.402 548 HD3 PRO 70 HD2 PRO 70 15.588 5.100 0.970 549 HA PRO 71 HA PRO 71 19.161 -0.709 2.624 550 HB2 PRO 71 HB1 PRO 71 21.892 -0.559 2.996 551 HB3 PRO 71 HB2 PRO 71 21.069 -1.038 1.479 552 HG2 PRO 71 HG1 PRO 71 22.163 1.676 2.226 553 HG3 PRO 71 HG2 PRO 71 22.351 0.780 0.672 554 HD2 PRO 71 HD1 PRO 71 20.491 2.733 0.951 555 HD3 PRO 71 HD2 PRO 71 20.129 1.239 0.039 556 H LYS 72 H LYS 72 18.983 -1.328 4.638 557 HA LYS 72 HA LYS 72 18.798 -1.432 6.870 558 HB2 LYS 72 HB1 LYS 72 20.974 0.660 6.883 559 HB3 LYS 72 HB2 LYS 72 20.249 -0.074 8.354 560 HG2 LYS 72 HG1 LYS 72 22.219 -1.242 7.999 561 HG3 LYS 72 HG2 LYS 72 20.939 -2.330 7.488 562 HD2 LYS 72 HD1 LYS 72 21.460 -1.785 5.121 563 HD3 LYS 72 HD2 LYS 72 22.708 -0.638 5.667 564 HE2 LYS 72 HE1 LYS 72 24.076 -2.391 5.290 565 HE3 LYS 72 HE2 LYS 72 23.619 -2.866 6.913 566 HZ1 LYS 72 HZ1 LYS 72 23.463 -4.572 5.032 567 HZ2 LYS 72 HZ2 LYS 72 22.191 -3.759 4.478 568 HZ3 LYS 72 HZ3 LYS 72 22.074 -4.465 5.945 569 H GLY 73 H GLY 73 18.051 1.294 5.202 570 HA2 GLY 73 HA3 GLY 73 16.744 2.852 7.304 571 HA3 GLY 73 HA2 GLY 73 16.682 3.159 5.554 572 H ARG 74 H ARG 74 14.512 3.546 7.104 573 HA ARG 74 HA ARG 74 12.601 1.513 6.116 574 HB2 ARG 74 HB1 ARG 74 12.711 2.985 8.751 575 HB3 ARG 74 HB2 ARG 74 11.131 2.571 8.020 576 HG2 ARG 74 HG1 ARG 74 11.950 0.193 7.846 577 HG3 ARG 74 HG2 ARG 74 13.267 0.638 8.922 578 HD2 ARG 74 HD1 ARG 74 11.715 1.343 10.636 579 HD3 ARG 74 HD2 ARG 74 10.376 1.041 9.509 580 HE ARG 74 HE ARG 74 11.852 -1.382 9.880 581 HH11 ARG 74 HH12 ARG 74 9.461 0.642 11.542 582 HH12 ARG 74 HH11 ARG 74 8.797 -0.729 12.370 583 HH21 ARG 74 HH22 ARG 74 10.872 -3.074 10.943 584 HH22 ARG 74 HH21 ARG 74 9.582 -2.686 12.114 585 H VAL 75 H VAL 75 10.700 2.287 5.251 586 HA VAL 75 HA VAL 75 9.980 5.084 5.302 587 HB VAL 75 HB VAL 75 10.459 4.094 2.480 588 HG11 VAL 75 HG11 VAL 75 8.556 5.677 2.730 589 HG12 VAL 75 HG12 VAL 75 9.611 6.809 3.595 590 HG13 VAL 75 HG13 VAL 75 9.892 6.446 1.880 591 HG21 VAL 75 HG21 VAL 75 12.057 6.249 3.925 592 HG22 VAL 75 HG22 VAL 75 12.684 4.662 3.430 593 HG23 VAL 75 HG23 VAL 75 12.180 5.823 2.207 594 H GLU 76 H GLU 76 8.294 4.063 6.329 595 HA GLU 76 HA GLU 76 6.614 2.101 5.283 596 HB2 GLU 76 HB1 GLU 76 6.053 4.363 7.237 597 HB3 GLU 76 HB2 GLU 76 4.946 2.996 6.978 598 HG2 GLU 76 HG1 GLU 76 6.527 3.069 9.042 599 HG3 GLU 76 HG2 GLU 76 6.215 1.549 8.213 600 H LEU 77 H LEU 77 4.551 2.108 4.275 601 HA LEU 77 HA LEU 77 4.002 4.219 2.399 602 HB2 LEU 77 HB1 LEU 77 2.522 1.757 3.320 603 HB3 LEU 77 HB2 LEU 77 1.680 3.018 2.366 604 HG LEU 77 HG LEU 77 3.676 2.788 0.724 605 HD11 LEU 77 HD11 LEU 77 3.851 0.085 2.142 606 HD12 LEU 77 HD12 LEU 77 5.144 1.301 2.034 607 HD13 LEU 77 HD13 LEU 77 4.593 0.460 0.576 608 HD21 LEU 77 HD21 LEU 77 1.402 2.220 0.158 609 HD22 LEU 77 HD22 LEU 77 1.541 0.645 0.964 610 HD23 LEU 77 HD23 LEU 77 2.495 1.002 -0.497 611 H LYS 78 H LYS 78 2.881 6.031 2.565 612 HA LYS 78 HA LYS 78 2.585 6.986 5.259 613 HB2 LYS 78 HB1 LYS 78 2.181 8.193 2.522 614 HB3 LYS 78 HB2 LYS 78 1.758 9.092 4.011 615 HG2 LYS 78 HG1 LYS 78 3.837 9.875 3.346 616 HG3 LYS 78 HG2 LYS 78 4.109 8.866 4.760 617 HD2 LYS 78 HD1 LYS 78 4.736 7.017 2.994 618 HD3 LYS 78 HD2 LYS 78 4.829 8.389 1.853 619 HE2 LYS 78 HE1 LYS 78 7.020 8.160 2.483 620 HE3 LYS 78 HE2 LYS 78 6.466 9.449 3.547 621 HZ1 LYS 78 HZ1 LYS 78 6.647 6.562 4.270 622 HZ2 LYS 78 HZ2 LYS 78 6.232 7.751 5.296 623 HZ3 LYS 78 HZ3 LYS 78 7.765 7.696 4.686 624 HA PRO 79 HA PRO 79 -1.724 5.706 5.624 625 HB2 PRO 79 HB1 PRO 79 -2.395 6.918 7.985 626 HB3 PRO 79 HB2 PRO 79 -1.397 5.432 7.849 627 HG2 PRO 79 HG1 PRO 79 -0.433 8.291 8.126 628 HG3 PRO 79 HG2 PRO 79 0.079 6.848 9.076 629 HD2 PRO 79 HD1 PRO 79 1.536 7.717 6.959 630 HD3 PRO 79 HD2 PRO 79 1.291 5.967 7.230 631 H GLY 80 H GLY 80 -0.724 8.995 5.163 632 HA2 GLY 80 HA3 GLY 80 -3.429 9.517 4.055 633 HA3 GLY 80 HA2 GLY 80 -2.466 10.797 4.826 634 H GLY 81 H GLY 81 -0.293 8.858 3.019 635 HA2 GLY 81 HA3 GLY 81 -0.556 10.744 0.718 636 HA3 GLY 81 HA2 GLY 81 0.988 10.521 1.569 637 H TYR 82 H TYR 82 0.343 7.467 1.583 638 HA TYR 82 HA TYR 82 0.440 6.785 -1.263 639 HB2 TYR 82 HB1 TYR 82 2.763 6.203 0.586 640 HB3 TYR 82 HB2 TYR 82 2.450 5.302 -0.912 641 HD1 TYR 82 HD1 TYR 82 3.258 8.654 0.446 642 HD2 TYR 82 HD2 TYR 82 2.953 6.217 -3.079 643 HE1 TYR 82 HE1 TYR 82 4.221 10.479 -0.882 644 HE2 TYR 82 HE2 TYR 82 4.065 7.974 -4.397 645 HH TYR 82 HH TYR 82 4.466 10.320 -4.430 646 H HIS 83 H HIS 83 -0.280 4.826 -1.699 647 HA HIS 83 HA HIS 83 -0.773 2.787 0.346 648 HB2 HIS 83 HB1 HIS 83 -3.189 2.909 0.291 649 HB3 HIS 83 HB2 HIS 83 -2.481 4.402 0.921 650 HD1 HIS 83 HD1 HIS 83 -2.640 6.594 -0.822 651 HD2 HIS 83 HD2 HIS 83 -4.651 3.061 -1.918 652 HE1 HIS 83 HE1 HIS 83 -4.066 7.161 -2.843 653 H PHE 84 H PHE 84 -1.554 0.834 -0.546 654 HA PHE 84 HA PHE 84 -1.515 0.581 -3.509 655 HB2 PHE 84 HB1 PHE 84 -2.046 -1.358 -1.227 656 HB3 PHE 84 HB2 PHE 84 -2.181 -1.785 -2.946 657 HD1 PHE 84 HD1 PHE 84 -0.195 -1.664 -4.435 658 HD2 PHE 84 HD2 PHE 84 0.140 -1.140 -0.164 659 HE1 PHE 84 HE1 PHE 84 2.212 -2.203 -4.553 660 HE2 PHE 84 HE2 PHE 84 2.552 -1.709 -0.288 661 HZ PHE 84 HZ PHE 84 3.562 -2.298 -2.458 662 H MET 85 H MET 85 -3.427 0.269 -4.654 663 HA MET 85 HA MET 85 -6.091 0.617 -3.346 664 HB2 MET 85 HB1 MET 85 -5.235 2.193 -5.218 665 HB3 MET 85 HB2 MET 85 -5.626 0.810 -6.267 666 HG2 MET 85 HG1 MET 85 -7.639 1.790 -6.371 667 HG3 MET 85 HG2 MET 85 -7.933 0.942 -4.867 668 HE1 MET 85 HE1 MET 85 -9.414 2.263 -3.230 669 HE2 MET 85 HE2 MET 85 -7.802 2.016 -2.540 670 HE3 MET 85 HE3 MET 85 -8.625 3.584 -2.336 671 H LEU 86 H LEU 86 -7.281 -1.131 -3.335 672 HA LEU 86 HA LEU 86 -6.394 -3.644 -4.720 673 HB2 LEU 86 HB1 LEU 86 -7.726 -3.104 -2.056 674 HB3 LEU 86 HB2 LEU 86 -7.816 -4.704 -2.848 675 HG LEU 86 HG LEU 86 -5.390 -4.934 -2.730 676 HD11 LEU 86 HD11 LEU 86 -4.545 -2.653 -2.759 677 HD12 LEU 86 HD12 LEU 86 -4.061 -3.401 -1.244 678 HD13 LEU 86 HD13 LEU 86 -5.420 -2.256 -1.259 679 HD21 LEU 86 HD21 LEU 86 -6.847 -5.758 -0.905 680 HD22 LEU 86 HD22 LEU 86 -6.687 -4.197 -0.066 681 HD23 LEU 86 HD23 LEU 86 -5.270 -5.250 -0.282 682 H LEU 87 H LEU 87 -7.775 -4.627 -6.088 683 HA LEU 87 HA LEU 87 -10.682 -3.979 -5.974 684 HB2 LEU 87 HB1 LEU 87 -8.867 -3.082 -8.005 685 HB3 LEU 87 HB2 LEU 87 -9.838 -4.394 -8.721 686 HG LEU 87 HG LEU 87 -11.876 -3.064 -7.713 687 HD11 LEU 87 HD11 LEU 87 -9.799 -0.832 -7.997 688 HD12 LEU 87 HD12 LEU 87 -10.461 -1.401 -6.458 689 HD13 LEU 87 HD13 LEU 87 -11.528 -0.626 -7.639 690 HD21 LEU 87 HD21 LEU 87 -10.326 -2.054 -10.133 691 HD22 LEU 87 HD22 LEU 87 -12.048 -1.754 -9.792 692 HD23 LEU 87 HD23 LEU 87 -11.481 -3.405 -10.112 693 H GLY 88 H GLY 88 -12.068 -5.620 -6.572 694 HA2 GLY 88 HA3 GLY 88 -12.800 -7.626 -7.441 695 HA3 GLY 88 HA2 GLY 88 -11.171 -7.911 -8.096 696 H LEU 89 H LEU 89 -12.030 -7.406 -4.674 697 HA LEU 89 HA LEU 89 -10.460 -9.493 -3.773 698 HB2 LEU 89 HB1 LEU 89 -11.524 -9.263 -1.596 699 HB3 LEU 89 HB2 LEU 89 -10.928 -7.765 -2.324 700 HG LEU 89 HG LEU 89 -13.274 -7.094 -2.787 701 HD11 LEU 89 HD11 LEU 89 -15.112 -8.333 -1.573 702 HD12 LEU 89 HD12 LEU 89 -13.987 -9.692 -1.355 703 HD13 LEU 89 HD13 LEU 89 -14.489 -9.176 -2.987 704 HD21 LEU 89 HD21 LEU 89 -13.832 -6.745 -0.350 705 HD22 LEU 89 HD22 LEU 89 -12.142 -6.395 -0.754 706 HD23 LEU 89 HD23 LEU 89 -12.575 -7.919 0.054 707 H LYS 90 H LYS 90 -10.769 -11.175 -2.533 708 HA LYS 90 HA LYS 90 -12.621 -13.153 -3.807 709 HB2 LYS 90 HB1 LYS 90 -9.943 -13.646 -2.514 710 HB3 LYS 90 HB2 LYS 90 -10.888 -14.774 -3.511 711 HG2 LYS 90 HG1 LYS 90 -9.543 -12.203 -4.442 712 HG3 LYS 90 HG2 LYS 90 -9.022 -13.879 -4.760 713 HD2 LYS 90 HD1 LYS 90 -11.088 -14.260 -6.077 714 HD3 LYS 90 HD2 LYS 90 -11.549 -12.559 -5.819 715 HE2 LYS 90 HE1 LYS 90 -9.522 -11.790 -6.934 716 HE3 LYS 90 HE2 LYS 90 -8.938 -13.450 -7.131 717 HZ1 LYS 90 HZ1 LYS 90 -11.279 -12.225 -8.453 718 HZ2 LYS 90 HZ2 LYS 90 -10.895 -13.833 -8.582 719 HZ3 LYS 90 HZ3 LYS 90 -9.905 -12.664 -9.144 720 H ARG 91 H ARG 91 -11.729 -11.830 -0.799 721 HA ARG 91 HA ARG 91 -14.037 -13.061 0.505 722 HB2 ARG 91 HB1 ARG 91 -11.302 -13.040 1.841 723 HB3 ARG 91 HB2 ARG 91 -12.837 -13.473 2.625 724 HG2 ARG 91 HG1 ARG 91 -13.044 -15.454 1.222 725 HG3 ARG 91 HG2 ARG 91 -11.588 -15.000 0.294 726 HD2 ARG 91 HD1 ARG 91 -10.184 -15.222 2.250 727 HD3 ARG 91 HD2 ARG 91 -11.595 -15.623 3.252 728 HE ARG 91 HE ARG 91 -11.665 -17.463 1.186 729 HH11 ARG 91 HH12 ARG 91 -9.202 -16.647 3.606 730 HH12 ARG 91 HH11 ARG 91 -8.572 -18.257 3.659 731 HH21 ARG 91 HH22 ARG 91 -10.801 -19.544 1.308 732 HH22 ARG 91 HH21 ARG 91 -9.449 -19.874 2.345 733 HA PRO 92 HA PRO 92 -14.248 -8.665 1.300 734 HB2 PRO 92 HB1 PRO 92 -16.206 -8.504 3.217 735 HB3 PRO 92 HB2 PRO 92 -16.518 -8.861 1.490 736 HG2 PRO 92 HG1 PRO 92 -16.238 -10.825 3.778 737 HG3 PRO 92 HG2 PRO 92 -17.504 -10.784 2.503 738 HD2 PRO 92 HD1 PRO 92 -15.350 -12.446 2.337 739 HD3 PRO 92 HD2 PRO 92 -16.004 -11.638 0.882 740 H LEU 93 H LEU 93 -13.235 -7.194 2.552 741 HA LEU 93 HA LEU 93 -11.779 -8.111 4.980 742 HB2 LEU 93 HB1 LEU 93 -10.437 -5.918 4.267 743 HB3 LEU 93 HB2 LEU 93 -10.095 -7.563 3.635 744 HG LEU 93 HG LEU 93 -11.242 -7.064 1.585 745 HD11 LEU 93 HD11 LEU 93 -11.973 -4.806 0.972 746 HD12 LEU 93 HD12 LEU 93 -11.589 -4.208 2.604 747 HD13 LEU 93 HD13 LEU 93 -12.907 -5.369 2.343 748 HD21 LEU 93 HD21 LEU 93 -8.803 -6.555 1.849 749 HD22 LEU 93 HD22 LEU 93 -9.258 -4.845 2.088 750 HD23 LEU 93 HD23 LEU 93 -9.630 -5.661 0.562 751 H LYS 94 H LYS 94 -13.253 -7.807 6.462 752 HA LYS 94 HA LYS 94 -14.702 -5.245 6.771 753 HB2 LYS 94 HB1 LYS 94 -14.889 -7.933 8.142 754 HB3 LYS 94 HB2 LYS 94 -15.869 -6.523 8.597 755 HG2 LYS 94 HG1 LYS 94 -17.066 -6.537 6.571 756 HG3 LYS 94 HG2 LYS 94 -15.914 -7.592 5.746 757 HD2 LYS 94 HD1 LYS 94 -16.957 -8.748 8.259 758 HD3 LYS 94 HD2 LYS 94 -18.225 -8.392 7.054 759 HE2 LYS 94 HE1 LYS 94 -17.397 -10.694 6.785 760 HE3 LYS 94 HE2 LYS 94 -17.008 -9.696 5.368 761 HZ1 LYS 94 HZ1 LYS 94 -15.055 -10.991 5.964 762 HZ2 LYS 94 HZ2 LYS 94 -15.112 -10.524 7.522 763 HZ3 LYS 94 HZ3 LYS 94 -14.695 -9.482 6.417 764 H ALA 95 H ALA 95 -14.957 -4.661 9.119 765 HA ALA 95 HA ALA 95 -12.401 -3.620 9.942 766 HB1 ALA 95 HB1 ALA 95 -13.727 -2.602 11.776 767 HB2 ALA 95 HB2 ALA 95 -14.435 -2.300 10.181 768 HB3 ALA 95 HB3 ALA 95 -15.148 -3.526 11.269 769 H GLY 96 H GLY 96 -10.903 -4.755 10.863 770 HA2 GLY 96 HA3 GLY 96 -10.045 -5.397 13.022 771 HA3 GLY 96 HA2 GLY 96 -11.537 -6.320 13.315 772 H GLU 97 H GLU 97 -10.603 -7.127 10.214 773 HA GLU 97 HA GLU 97 -9.784 -9.776 11.129 774 HB2 GLU 97 HB1 GLU 97 -10.397 -8.682 8.362 775 HB3 GLU 97 HB2 GLU 97 -10.280 -10.396 8.809 776 HG2 GLU 97 HG1 GLU 97 -12.140 -10.098 10.410 777 HG3 GLU 97 HG2 GLU 97 -12.340 -8.418 9.904 778 H GLU 98 H GLU 98 -8.407 -10.953 9.400 779 HA GLU 98 HA GLU 98 -5.687 -9.751 9.663 780 HB2 GLU 98 HB1 GLU 98 -4.924 -12.035 10.105 781 HB3 GLU 98 HB2 GLU 98 -6.041 -11.382 11.311 782 HG2 GLU 98 HG1 GLU 98 -6.894 -13.327 9.142 783 HG3 GLU 98 HG2 GLU 98 -6.263 -13.837 10.731 784 H VAL 99 H VAL 99 -5.618 -8.899 7.563 785 HA VAL 99 HA VAL 99 -5.897 -10.769 5.261 786 HB VAL 99 HB VAL 99 -5.831 -7.747 5.472 787 HG11 VAL 99 HG11 VAL 99 -6.031 -9.505 2.985 788 HG12 VAL 99 HG12 VAL 99 -6.468 -7.781 3.023 789 HG13 VAL 99 HG13 VAL 99 -4.799 -8.271 3.324 790 HG21 VAL 99 HG21 VAL 99 -8.040 -9.687 4.628 791 HG22 VAL 99 HG22 VAL 99 -7.942 -8.899 6.211 792 HG23 VAL 99 HG23 VAL 99 -8.164 -7.919 4.760 793 H GLU 100 H GLU 100 -4.244 -11.581 4.202 794 HA GLU 100 HA GLU 100 -1.463 -10.795 4.656 795 HB2 GLU 100 HB1 GLU 100 -2.881 -12.741 2.841 796 HB3 GLU 100 HB2 GLU 100 -1.162 -12.327 2.573 797 HG2 GLU 100 HG1 GLU 100 -0.806 -13.077 5.010 798 HG3 GLU 100 HG2 GLU 100 -2.397 -13.842 4.871 799 H LEU 101 H LEU 101 -0.205 -9.491 3.510 800 HA LEU 101 HA LEU 101 -0.816 -9.074 0.631 801 HB2 LEU 101 HB1 LEU 101 0.125 -7.049 2.605 802 HB3 LEU 101 HB2 LEU 101 0.948 -7.089 1.011 803 HG LEU 101 HG LEU 101 -1.337 -6.914 -0.061 804 HD11 LEU 101 HD11 LEU 101 -2.169 -6.132 2.764 805 HD12 LEU 101 HD12 LEU 101 -2.824 -7.466 1.801 806 HD13 LEU 101 HD13 LEU 101 -3.115 -5.802 1.297 807 HD21 LEU 101 HD21 LEU 101 0.258 -5.059 0.056 808 HD22 LEU 101 HD22 LEU 101 -0.376 -4.594 1.652 809 HD23 LEU 101 HD23 LEU 101 -1.408 -4.484 0.205 810 H ASP 102 H ASP 102 0.831 -9.163 -0.730 811 HA ASP 102 HA ASP 102 3.534 -10.234 -0.010 812 HB2 ASP 102 HB1 ASP 102 1.752 -10.358 -2.450 813 HB3 ASP 102 HB2 ASP 102 3.487 -10.472 -2.671 814 H LEU 103 H LEU 103 5.195 -8.766 -0.535 815 HA LEU 103 HA LEU 103 4.523 -6.246 -2.017 816 HB2 LEU 103 HB1 LEU 103 6.806 -7.005 -0.162 817 HB3 LEU 103 HB2 LEU 103 6.710 -5.488 -1.095 818 HG LEU 103 HG LEU 103 4.598 -4.941 0.174 819 HD11 LEU 103 HD11 LEU 103 3.810 -7.019 1.113 820 HD12 LEU 103 HD12 LEU 103 4.442 -6.102 2.471 821 HD13 LEU 103 HD13 LEU 103 5.425 -7.385 1.779 822 HD21 LEU 103 HD21 LEU 103 5.838 -4.200 2.171 823 HD22 LEU 103 HD22 LEU 103 6.844 -4.036 0.728 824 HD23 LEU 103 HD23 LEU 103 7.120 -5.387 1.840 825 H LEU 104 H LEU 104 5.379 -5.936 -4.030 826 HA LEU 104 HA LEU 104 7.246 -7.995 -5.114 827 HB2 LEU 104 HB1 LEU 104 5.428 -5.987 -6.475 828 HB3 LEU 104 HB2 LEU 104 6.462 -7.119 -7.323 829 HG LEU 104 HG LEU 104 4.016 -7.728 -5.612 830 HD11 LEU 104 HD11 LEU 104 3.545 -6.907 -7.886 831 HD12 LEU 104 HD12 LEU 104 3.099 -8.609 -7.732 832 HD13 LEU 104 HD13 LEU 104 4.598 -8.163 -8.572 833 HD21 LEU 104 HD21 LEU 104 4.298 -10.114 -6.243 834 HD22 LEU 104 HD22 LEU 104 5.595 -9.539 -5.196 835 HD23 LEU 104 HD23 LEU 104 5.887 -9.727 -6.943 836 H PHE 105 H PHE 105 9.276 -7.427 -4.875 837 HA PHE 105 HA PHE 105 10.178 -4.600 -5.255 838 HB2 PHE 105 HB1 PHE 105 11.522 -7.071 -4.130 839 HB3 PHE 105 HB2 PHE 105 12.325 -5.509 -4.366 840 HD1 PHE 105 HD1 PHE 105 11.425 -3.462 -3.148 841 HD2 PHE 105 HD2 PHE 105 10.133 -7.468 -2.206 842 HE1 PHE 105 HE1 PHE 105 10.555 -2.667 -0.980 843 HE2 PHE 105 HE2 PHE 105 9.291 -6.668 -0.018 844 HZ PHE 105 HZ PHE 105 9.501 -4.278 0.608 845 H ALA 106 H ALA 106 11.509 -3.992 -6.807 846 HA ALA 106 HA ALA 106 11.222 -4.888 -9.345 847 HB1 ALA 106 HB1 ALA 106 13.654 -3.446 -8.204 848 HB2 ALA 106 HB2 ALA 106 13.177 -3.474 -9.917 849 HB3 ALA 106 HB3 ALA 106 12.130 -2.690 -8.722 850 H GLY 107 H GLY 107 11.884 -6.496 -10.620 851 HA2 GLY 107 HA3 GLY 107 13.245 -8.172 -11.504 852 HA3 GLY 107 HA2 GLY 107 14.434 -7.888 -10.212 853 H GLY 108 H GLY 108 11.003 -8.544 -9.557 854 HA2 GLY 108 HA3 GLY 108 9.830 -10.477 -9.259 855 HA3 GLY 108 HA2 GLY 108 11.295 -11.399 -9.667 856 H LYS 109 H LYS 109 11.597 -9.252 -6.926 857 HA LYS 109 HA LYS 109 11.805 -11.655 -5.165 858 HB2 LYS 109 HB1 LYS 109 12.799 -8.806 -5.017 859 HB3 LYS 109 HB2 LYS 109 12.714 -9.817 -3.550 860 HG2 LYS 109 HG1 LYS 109 14.425 -11.137 -4.180 861 HG3 LYS 109 HG2 LYS 109 13.945 -11.175 -5.884 862 HD2 LYS 109 HD1 LYS 109 15.325 -8.799 -4.565 863 HD3 LYS 109 HD2 LYS 109 16.169 -10.095 -5.458 864 HE2 LYS 109 HE1 LYS 109 14.859 -9.594 -7.472 865 HE3 LYS 109 HE2 LYS 109 13.939 -8.348 -6.604 866 HZ1 LYS 109 HZ1 LYS 109 15.549 -7.285 -7.841 867 HZ2 LYS 109 HZ2 LYS 109 16.789 -8.271 -7.351 868 HZ3 LYS 109 HZ3 LYS 109 16.092 -7.183 -6.310 869 H VAL 110 H VAL 110 10.223 -12.247 -3.860 870 HA VAL 110 HA VAL 110 8.062 -10.316 -3.329 871 HB VAL 110 HB VAL 110 7.820 -13.341 -3.426 872 HG11 VAL 110 HG11 VAL 110 6.047 -12.289 -2.075 873 HG12 VAL 110 HG12 VAL 110 5.720 -11.120 -3.371 874 HG13 VAL 110 HG13 VAL 110 5.372 -12.847 -3.608 875 HG21 VAL 110 HG21 VAL 110 7.244 -11.270 -5.581 876 HG22 VAL 110 HG22 VAL 110 8.376 -12.631 -5.666 877 HG23 VAL 110 HG23 VAL 110 6.641 -12.942 -5.622 878 H LEU 111 H LEU 111 7.493 -9.840 -1.297 879 HA LEU 111 HA LEU 111 8.428 -11.559 0.983 880 HB2 LEU 111 HB1 LEU 111 9.754 -9.529 0.882 881 HB3 LEU 111 HB2 LEU 111 8.282 -8.541 0.690 882 HG LEU 111 HG LEU 111 7.607 -9.089 3.003 883 HD11 LEU 111 HD11 LEU 111 10.291 -10.538 3.159 884 HD12 LEU 111 HD12 LEU 111 8.683 -11.286 3.296 885 HD13 LEU 111 HD13 LEU 111 9.238 -10.162 4.541 886 HD21 LEU 111 HD21 LEU 111 9.309 -7.732 4.135 887 HD22 LEU 111 HD22 LEU 111 8.917 -7.061 2.545 888 HD23 LEU 111 HD23 LEU 111 10.428 -7.968 2.772 889 H LYS 112 H LYS 112 6.728 -12.432 2.104 890 HA LYS 112 HA LYS 112 4.059 -11.277 1.934 891 HB2 LYS 112 HB1 LYS 112 4.630 -13.734 2.034 892 HB3 LYS 112 HB2 LYS 112 5.160 -13.494 3.715 893 HG2 LYS 112 HG1 LYS 112 2.976 -14.420 3.785 894 HG3 LYS 112 HG2 LYS 112 2.820 -12.724 4.259 895 HD2 LYS 112 HD1 LYS 112 1.057 -12.847 2.842 896 HD3 LYS 112 HD2 LYS 112 2.243 -12.446 1.620 897 HE2 LYS 112 HE1 LYS 112 1.513 -15.303 2.366 898 HE3 LYS 112 HE2 LYS 112 0.647 -14.378 1.126 899 HZ1 LYS 112 HZ1 LYS 112 2.358 -15.754 0.161 900 HZ2 LYS 112 HZ2 LYS 112 3.518 -15.073 1.113 901 HZ3 LYS 112 HZ3 LYS 112 2.776 -14.168 -0.031 902 H VAL 113 H VAL 113 2.890 -10.253 3.576 903 HA VAL 113 HA VAL 113 3.940 -10.179 6.319 904 HB VAL 113 HB VAL 113 2.886 -7.546 5.299 905 HG11 VAL 113 HG11 VAL 113 4.232 -6.654 7.226 906 HG12 VAL 113 HG12 VAL 113 2.962 -7.755 7.717 907 HG13 VAL 113 HG13 VAL 113 4.641 -8.326 7.661 908 HG21 VAL 113 HG21 VAL 113 5.154 -6.622 5.057 909 HG22 VAL 113 HG22 VAL 113 5.864 -8.215 5.388 910 HG23 VAL 113 HG23 VAL 113 4.927 -7.946 3.913 911 H VAL 114 H VAL 114 2.236 -9.594 7.839 912 HA VAL 114 HA VAL 114 -0.543 -10.103 6.842 913 HB VAL 114 HB VAL 114 0.612 -10.588 9.614 914 HG11 VAL 114 HG11 VAL 114 -1.614 -11.654 10.086 915 HG12 VAL 114 HG12 VAL 114 -1.738 -9.915 9.831 916 HG13 VAL 114 HG13 VAL 114 -2.215 -11.032 8.532 917 HG21 VAL 114 HG21 VAL 114 -0.343 -12.542 7.469 918 HG22 VAL 114 HG22 VAL 114 1.338 -12.307 8.000 919 HG23 VAL 114 HG23 VAL 114 0.150 -12.982 9.118 920 H LEU 115 H LEU 115 -2.081 -8.621 7.221 921 HA LEU 115 HA LEU 115 -1.408 -6.096 8.687 922 HB2 LEU 115 HB1 LEU 115 -2.858 -6.542 6.105 923 HB3 LEU 115 HB2 LEU 115 -2.939 -5.047 7.092 924 HG LEU 115 HG LEU 115 -0.392 -4.923 6.858 925 HD11 LEU 115 HD11 LEU 115 0.268 -7.085 5.982 926 HD12 LEU 115 HD12 LEU 115 0.455 -5.934 4.679 927 HD13 LEU 115 HD13 LEU 115 -0.960 -7.012 4.701 928 HD21 LEU 115 HD21 LEU 115 -0.686 -3.869 4.606 929 HD22 LEU 115 HD22 LEU 115 -1.964 -3.475 5.775 930 HD23 LEU 115 HD23 LEU 115 -2.268 -4.653 4.484 931 HA PRO 116 HA PRO 116 -5.495 -7.005 10.592 932 HB2 PRO 116 HB1 PRO 116 -5.677 -4.807 12.193 933 HB3 PRO 116 HB2 PRO 116 -4.696 -6.243 12.616 934 HG2 PRO 116 HG1 PRO 116 -3.758 -3.665 11.327 935 HG3 PRO 116 HG2 PRO 116 -3.028 -4.535 12.722 936 HD2 PRO 116 HD1 PRO 116 -2.087 -4.822 10.169 937 HD3 PRO 116 HD2 PRO 116 -2.109 -6.192 11.317 938 H VAL 117 H VAL 117 -7.459 -6.377 9.609 939 HA VAL 117 HA VAL 117 -7.593 -3.860 8.075 940 HB VAL 117 HB VAL 117 -9.906 -5.543 8.991 941 HG11 VAL 117 HG11 VAL 117 -10.480 -3.335 8.018 942 HG12 VAL 117 HG12 VAL 117 -9.500 -3.695 6.581 943 HG13 VAL 117 HG13 VAL 117 -10.968 -4.607 6.896 944 HG21 VAL 117 HG21 VAL 117 -9.886 -6.761 6.852 945 HG22 VAL 117 HG22 VAL 117 -8.385 -5.958 6.377 946 HG23 VAL 117 HG23 VAL 117 -8.400 -7.081 7.747 947 H GLU 118 H GLU 118 -8.666 -1.947 8.780 948 HA GLU 118 HA GLU 118 -8.982 -1.649 11.722 949 HB2 GLU 118 HB1 GLU 118 -8.687 0.833 11.122 950 HB3 GLU 118 HB2 GLU 118 -7.284 -0.285 11.227 951 HG2 GLU 118 HG1 GLU 118 -6.921 1.238 9.488 952 HG3 GLU 118 HG2 GLU 118 -7.138 -0.361 8.810 953 H ALA 119 H ALA 119 -10.305 0.659 11.957 954 HA ALA 119 HA ALA 119 -12.794 0.492 10.404 955 HB1 ALA 119 HB1 ALA 119 -12.753 0.893 13.431 956 HB2 ALA 119 HB2 ALA 119 -14.180 0.897 12.362 957 HB3 ALA 119 HB3 ALA 119 -13.253 -0.598 12.598 958 H ARG 120 H ARG 120 -13.846 2.480 10.199 959 HA ARG 120 HA ARG 120 -13.163 5.091 10.744 960 HB2 ARG 120 HB1 ARG 120 -11.830 5.573 8.616 961 HB3 ARG 120 HB2 ARG 120 -10.945 4.936 10.022 962 HG2 ARG 120 HG1 ARG 120 -10.262 4.099 7.753 963 HG3 ARG 120 HG2 ARG 120 -10.555 2.875 8.996 964 HD2 ARG 120 HD1 ARG 120 -11.312 2.275 6.676 965 HD3 ARG 120 HD2 ARG 120 -12.561 2.155 7.937 966 HE ARG 120 HE ARG 120 -12.873 4.684 6.996 967 HH11 ARG 120 HH12 ARG 120 -13.415 1.513 5.479 968 HH12 ARG 120 HH11 ARG 120 -15.010 2.025 5.054 969 HH21 ARG 120 HH22 ARG 120 -14.817 4.979 6.675 970 HH22 ARG 120 HH21 ARG 120 -15.774 3.953 5.681 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 15.309 -4.129 12.016 2 H2 GLY 1 2H GLY 1 14.264 -4.202 10.742 3 H3 GLY 1 3H GLY 1 15.833 -4.649 10.526 4 HA2 GLY 1 HA3 GLY 1 14.273 -6.534 10.665 5 HA3 GLY 1 HA2 GLY 1 15.557 -6.572 11.893 6 H SER 2 H SER 2 12.176 -5.675 11.255 7 HA SER 2 HA SER 2 11.790 -5.050 14.171 8 HB2 SER 2 HB1 SER 2 10.849 -3.377 11.831 9 HB3 SER 2 HB2 SER 2 10.962 -2.906 13.536 10 HG SER 2 HG SER 2 12.796 -2.767 11.513 11 H PHE 3 H PHE 3 9.449 -4.200 14.499 12 HA PHE 3 HA PHE 3 7.397 -6.020 13.541 13 HB2 PHE 3 HB1 PHE 3 5.881 -4.371 14.602 14 HB3 PHE 3 HB2 PHE 3 7.148 -4.930 15.699 15 HD1 PHE 3 HD1 PHE 3 6.046 -2.056 13.545 16 HD2 PHE 3 HD2 PHE 3 8.705 -3.377 16.686 17 HE1 PHE 3 HE1 PHE 3 6.727 0.278 13.952 18 HE2 PHE 3 HE2 PHE 3 9.378 -1.023 17.092 19 HZ PHE 3 HZ PHE 3 8.395 0.809 15.723 20 H THR 4 H THR 4 5.623 -5.366 12.194 21 HA THR 4 HA THR 4 6.245 -3.320 10.107 22 HB THR 4 HB THR 4 4.959 -4.830 8.580 23 HG1 THR 4 HG1 THR 4 3.898 -5.886 10.298 24 HG21 THR 4 HG21 THR 4 7.447 -4.902 8.626 25 HG22 THR 4 HG22 THR 4 6.722 -6.471 8.232 26 HG23 THR 4 HG23 THR 4 7.381 -6.186 9.858 27 H GLU 5 H GLU 5 4.982 -1.595 10.718 28 HA GLU 5 HA GLU 5 2.235 -1.903 11.523 29 HB2 GLU 5 HB1 GLU 5 2.137 0.517 11.350 30 HB3 GLU 5 HB2 GLU 5 3.474 -0.042 12.352 31 HG2 GLU 5 HG1 GLU 5 3.767 0.985 9.506 32 HG3 GLU 5 HG2 GLU 5 3.898 2.001 10.968 33 H GLY 6 H GLY 6 0.544 -2.446 10.221 34 HA2 GLY 6 HA3 GLY 6 -0.017 -0.604 8.098 35 HA3 GLY 6 HA2 GLY 6 0.181 -2.261 7.484 36 H TRP 7 H TRP 7 -2.174 -1.091 7.067 37 HA TRP 7 HA TRP 7 -3.811 -3.117 8.162 38 HB2 TRP 7 HB1 TRP 7 -5.657 -1.871 9.020 39 HB3 TRP 7 HB2 TRP 7 -4.205 -1.522 9.955 40 HD1 TRP 7 HD TRP 7 -6.926 0.127 7.958 41 HE1 TRP 7 HE1 TRP 7 -6.744 2.685 8.195 42 HE3 TRP 7 3HE TRP 7 -2.271 0.400 10.058 43 HZ2 TRP 7 HZ2 TRP 7 -4.838 4.580 9.207 44 HZ3 TRP 7 HZ3 TRP 7 -1.297 2.596 10.666 45 HH2 TRP 7 HH TRP 7 -2.576 4.681 10.293 46 H VAL 8 H VAL 8 -5.774 -3.463 6.972 47 HA VAL 8 HA VAL 8 -5.769 -2.155 4.269 48 HB VAL 8 HB VAL 8 -7.235 -4.611 5.209 49 HG11 VAL 8 HG11 VAL 8 -6.969 -3.401 2.419 50 HG12 VAL 8 HG12 VAL 8 -7.680 -4.990 2.779 51 HG13 VAL 8 HG13 VAL 8 -8.460 -3.522 3.381 52 HG21 VAL 8 HG21 VAL 8 -5.633 -5.826 3.685 53 HG22 VAL 8 HG22 VAL 8 -4.726 -4.315 3.508 54 HG23 VAL 8 HG23 VAL 8 -4.853 -5.101 5.094 55 H ARG 9 H ARG 9 -7.491 -0.914 3.569 56 HA ARG 9 HA ARG 9 -9.142 0.294 5.626 57 HB2 ARG 9 HB1 ARG 9 -8.243 1.680 3.920 58 HB3 ARG 9 HB2 ARG 9 -8.942 0.688 2.623 59 HG2 ARG 9 HG1 ARG 9 -11.091 1.479 2.957 60 HG3 ARG 9 HG2 ARG 9 -10.780 2.032 4.604 61 HD2 ARG 9 HD1 ARG 9 -9.510 3.280 2.131 62 HD3 ARG 9 HD2 ARG 9 -11.011 3.864 2.892 63 HE ARG 9 HE ARG 9 -8.984 3.636 4.887 64 HH11 ARG 9 HH12 ARG 9 -9.436 5.730 2.084 65 HH12 ARG 9 HH11 ARG 9 -8.470 6.991 2.814 66 HH21 ARG 9 HH22 ARG 9 -7.846 5.141 5.697 67 HH22 ARG 9 HH21 ARG 9 -7.510 6.653 4.878 68 H PHE 10 H PHE 10 -10.755 -0.780 6.449 69 HA PHE 10 HA PHE 10 -12.521 -2.668 5.425 70 HB2 PHE 10 HB1 PHE 10 -12.573 -2.234 7.712 71 HB3 PHE 10 HB2 PHE 10 -12.706 -0.471 7.469 72 HD1 PHE 10 HD1 PHE 10 -15.155 -2.760 5.806 73 HD2 PHE 10 HD2 PHE 10 -14.325 -0.334 9.257 74 HE1 PHE 10 HE1 PHE 10 -17.544 -2.360 6.075 75 HE2 PHE 10 HE2 PHE 10 -16.738 -0.236 9.738 76 HZ PHE 10 HZ PHE 10 -18.381 -1.144 8.091 77 H SER 11 H SER 11 -14.040 -2.726 3.870 78 HA SER 11 HA SER 11 -15.957 -0.585 3.743 79 HB2 SER 11 HB1 SER 11 -13.966 -1.063 1.542 80 HB3 SER 11 HB2 SER 11 -15.651 -0.833 1.041 81 HG SER 11 HG SER 11 -14.177 0.864 2.784 82 HA PRO 12 HA PRO 12 -18.565 -4.011 2.691 83 HB2 PRO 12 HB1 PRO 12 -20.849 -2.815 1.964 84 HB3 PRO 12 HB2 PRO 12 -20.109 -2.434 3.548 85 HG2 PRO 12 HG1 PRO 12 -19.833 -0.872 0.955 86 HG3 PRO 12 HG2 PRO 12 -20.317 -0.244 2.573 87 HD2 PRO 12 HD1 PRO 12 -17.719 -0.164 1.631 88 HD3 PRO 12 HD2 PRO 12 -18.126 -0.343 3.363 89 H GLY 13 H GLY 13 -17.151 -2.383 0.087 90 HA2 GLY 13 HA3 GLY 13 -18.986 -3.407 -1.979 91 HA3 GLY 13 HA2 GLY 13 -17.780 -2.113 -2.158 92 HA PRO 14 HA PRO 14 -16.061 -5.957 -4.184 93 HB2 PRO 14 HB1 PRO 14 -15.708 -4.939 -6.684 94 HB3 PRO 14 HB2 PRO 14 -17.290 -5.529 -6.116 95 HG2 PRO 14 HG1 PRO 14 -16.280 -2.672 -6.183 96 HG3 PRO 14 HG2 PRO 14 -17.856 -3.302 -6.782 97 HD2 PRO 14 HD1 PRO 14 -17.572 -2.151 -4.312 98 HD3 PRO 14 HD2 PRO 14 -18.698 -3.507 -4.596 99 H ASN 15 H ASN 15 -15.005 -2.726 -3.734 100 HA ASN 15 HA ASN 15 -12.165 -3.311 -4.255 101 HB2 ASN 15 HB1 ASN 15 -12.162 -0.910 -4.967 102 HB3 ASN 15 HB2 ASN 15 -13.067 -2.011 -6.018 103 HD21 ASN 15 HD21 ASN 15 -13.567 0.522 -6.503 104 HD22 ASN 15 HD22 ASN 15 -15.130 0.980 -5.831 105 H ALA 16 H ALA 16 -10.647 -1.977 -3.222 106 HA ALA 16 HA ALA 16 -11.224 -0.487 -0.791 107 HB1 ALA 16 HB1 ALA 16 -10.047 -2.052 0.721 108 HB2 ALA 16 HB2 ALA 16 -11.436 -2.836 -0.028 109 HB3 ALA 16 HB3 ALA 16 -9.801 -3.185 -0.627 110 H ALA 17 H ALA 17 -8.858 -0.450 0.406 111 HA ALA 17 HA ALA 17 -6.619 0.093 -1.433 112 HB1 ALA 17 HB1 ALA 17 -7.755 2.288 -1.211 113 HB2 ALA 17 HB2 ALA 17 -7.707 2.138 0.564 114 HB3 ALA 17 HB3 ALA 17 -6.198 2.275 -0.351 115 H ALA 18 H ALA 18 -4.590 -0.159 -0.205 116 HA ALA 18 HA ALA 18 -4.892 -1.131 2.614 117 HB1 ALA 18 HB1 ALA 18 -3.338 -2.966 2.123 118 HB2 ALA 18 HB2 ALA 18 -4.804 -3.106 1.132 119 HB3 ALA 18 HB3 ALA 18 -3.289 -2.501 0.419 120 H TYR 19 H TYR 19 -3.282 -0.744 3.991 121 HA TYR 19 HA TYR 19 -0.991 0.986 3.138 122 HB2 TYR 19 HB1 TYR 19 -2.557 1.025 5.744 123 HB3 TYR 19 HB2 TYR 19 -1.264 2.135 5.260 124 HD1 TYR 19 HD1 TYR 19 -1.657 3.651 3.250 125 HD2 TYR 19 HD2 TYR 19 -4.823 1.518 5.248 126 HE1 TYR 19 HE1 TYR 19 -3.315 5.278 2.371 127 HE2 TYR 19 HE2 TYR 19 -6.494 3.113 4.317 128 HH TYR 19 HH TYR 19 -5.387 5.943 2.394 129 H LEU 20 H LEU 20 0.966 0.637 4.161 130 HA LEU 20 HA LEU 20 1.544 -1.010 6.298 131 HB2 LEU 20 HB1 LEU 20 2.546 -2.984 5.356 132 HB3 LEU 20 HB2 LEU 20 0.801 -2.951 5.123 133 HG LEU 20 HG LEU 20 1.867 -4.042 3.326 134 HD11 LEU 20 HD11 LEU 20 0.931 -1.386 2.208 135 HD12 LEU 20 HD12 LEU 20 -0.149 -2.671 2.811 136 HD13 LEU 20 HD13 LEU 20 0.911 -2.983 1.430 137 HD21 LEU 20 HD21 LEU 20 4.090 -3.008 3.418 138 HD22 LEU 20 HD22 LEU 20 3.433 -1.541 2.664 139 HD23 LEU 20 HD23 LEU 20 3.432 -3.071 1.776 140 H THR 21 H THR 21 3.801 -1.540 6.550 141 HA THR 21 HA THR 21 5.453 0.645 5.479 142 HB THR 21 HB THR 21 4.975 0.124 7.931 143 HG1 THR 21 HG1 THR 21 6.701 1.141 8.370 144 HG21 THR 21 HG21 THR 21 5.707 -2.274 7.919 145 HG22 THR 21 HG22 THR 21 6.600 -1.241 9.064 146 HG23 THR 21 HG23 THR 21 7.369 -1.717 7.553 147 H LEU 22 H LEU 22 7.649 0.382 5.023 148 HA LEU 22 HA LEU 22 8.617 -2.340 4.314 149 HB2 LEU 22 HB1 LEU 22 7.942 -1.187 2.257 150 HB3 LEU 22 HB2 LEU 22 8.941 0.218 2.684 151 HG LEU 22 HG LEU 22 10.970 -1.027 2.340 152 HD11 LEU 22 HD11 LEU 22 10.961 -3.382 1.500 153 HD12 LEU 22 HD12 LEU 22 9.223 -3.479 1.868 154 HD13 LEU 22 HD13 LEU 22 10.403 -3.266 3.168 155 HD21 LEU 22 HD21 LEU 22 10.813 -1.365 -0.039 156 HD22 LEU 22 HD22 LEU 22 9.653 -0.090 0.361 157 HD23 LEU 22 HD23 LEU 22 9.074 -1.733 0.057 158 H GLU 23 H GLU 23 10.511 -2.790 5.277 159 HA GLU 23 HA GLU 23 12.462 -0.604 5.623 160 HB2 GLU 23 HB1 GLU 23 13.573 -1.802 7.434 161 HB3 GLU 23 HB2 GLU 23 11.979 -1.182 7.888 162 HG2 GLU 23 HG1 GLU 23 11.037 -3.409 7.843 163 HG3 GLU 23 HG2 GLU 23 12.514 -4.083 7.118 164 H ASN 24 H ASN 24 14.405 -0.975 4.789 165 HA ASN 24 HA ASN 24 14.813 -3.433 3.148 166 HB2 ASN 24 HB1 ASN 24 15.065 -1.188 2.169 167 HB3 ASN 24 HB2 ASN 24 16.339 -0.814 3.342 168 HD21 ASN 24 HD21 ASN 24 16.921 -0.651 0.647 169 HD22 ASN 24 HD22 ASN 24 18.032 -1.987 0.271 170 HA PRO 25 HA PRO 25 17.499 -4.554 6.666 171 HB2 PRO 25 HB1 PRO 25 17.424 -7.264 6.413 172 HB3 PRO 25 HB2 PRO 25 15.980 -6.355 6.954 173 HG2 PRO 25 HG1 PRO 25 16.644 -7.235 4.118 174 HG3 PRO 25 HG2 PRO 25 15.134 -7.572 5.031 175 HD2 PRO 25 HD1 PRO 25 15.325 -5.467 3.320 176 HD3 PRO 25 HD2 PRO 25 14.444 -5.331 4.871 177 H GLY 26 H GLY 26 18.167 -4.754 3.281 178 HA2 GLY 26 HA3 GLY 26 20.543 -6.431 3.548 179 HA3 GLY 26 HA2 GLY 26 19.845 -5.747 2.063 180 H ASP 27 H ASP 27 22.368 -5.641 2.118 181 HA ASP 27 HA ASP 27 23.364 -3.036 3.120 182 HB2 ASP 27 HB1 ASP 27 24.570 -5.401 3.098 183 HB3 ASP 27 HB2 ASP 27 24.994 -4.951 1.449 184 H LEU 28 H LEU 28 21.643 -4.079 0.545 185 HA LEU 28 HA LEU 28 22.671 -2.076 -1.381 186 HB2 LEU 28 HB1 LEU 28 22.045 -3.641 -3.173 187 HB3 LEU 28 HB2 LEU 28 23.309 -4.258 -2.062 188 HG LEU 28 HG LEU 28 21.393 -5.586 -0.940 189 HD11 LEU 28 HD11 LEU 28 19.549 -6.243 -2.504 190 HD12 LEU 28 HD12 LEU 28 20.040 -4.936 -3.604 191 HD13 LEU 28 HD13 LEU 28 19.414 -4.571 -1.983 192 HD21 LEU 28 HD21 LEU 28 21.648 -7.412 -2.583 193 HD22 LEU 28 HD22 LEU 28 23.187 -6.592 -2.286 194 HD23 LEU 28 HD23 LEU 28 22.280 -6.256 -3.777 195 HA PRO 29 HA PRO 29 18.624 -0.442 -1.260 196 HB2 PRO 29 HB1 PRO 29 18.174 0.682 -3.692 197 HB3 PRO 29 HB2 PRO 29 19.443 1.267 -2.573 198 HG2 PRO 29 HG1 PRO 29 19.751 -0.591 -4.937 199 HG3 PRO 29 HG2 PRO 29 20.774 0.818 -4.493 200 HD2 PRO 29 HD1 PRO 29 21.412 -1.800 -3.883 201 HD3 PRO 29 HD2 PRO 29 21.915 -0.444 -2.852 202 H LEU 30 H LEU 30 16.462 -0.744 -1.673 203 HA LEU 30 HA LEU 30 15.628 -3.004 -3.444 204 HB2 LEU 30 HB1 LEU 30 14.749 -2.127 -0.706 205 HB3 LEU 30 HB2 LEU 30 13.516 -2.787 -1.801 206 HG LEU 30 HG LEU 30 14.384 -4.911 -1.744 207 HD11 LEU 30 HD11 LEU 30 16.979 -3.905 -0.545 208 HD12 LEU 30 HD12 LEU 30 16.740 -4.622 -2.151 209 HD13 LEU 30 HD13 LEU 30 16.518 -5.611 -0.707 210 HD21 LEU 30 HD21 LEU 30 14.766 -3.786 1.019 211 HD22 LEU 30 HD22 LEU 30 14.476 -5.489 0.619 212 HD23 LEU 30 HD23 LEU 30 13.231 -4.273 0.284 213 H ARG 31 H ARG 31 13.729 -2.754 -4.444 214 HA ARG 31 HA ARG 31 12.451 -0.096 -4.656 215 HB2 ARG 31 HB1 ARG 31 14.200 -0.250 -6.480 216 HB3 ARG 31 HB2 ARG 31 13.294 -1.643 -7.130 217 HG2 ARG 31 HG1 ARG 31 11.343 -0.277 -7.526 218 HG3 ARG 31 HG2 ARG 31 12.044 1.103 -6.654 219 HD2 ARG 31 HD1 ARG 31 13.273 -0.039 -9.179 220 HD3 ARG 31 HD2 ARG 31 12.058 1.261 -9.168 221 HE ARG 31 HE ARG 31 14.267 1.833 -7.373 222 HH11 ARG 31 HH12 ARG 31 13.209 2.187 -10.707 223 HH12 ARG 31 HH11 ARG 31 14.391 3.424 -11.050 224 HH21 ARG 31 HH22 ARG 31 15.707 3.439 -7.834 225 HH22 ARG 31 HH21 ARG 31 15.817 4.122 -9.427 226 H LEU 32 H LEU 32 10.370 -0.489 -4.293 227 HA LEU 32 HA LEU 32 9.153 -3.160 -4.794 228 HB2 LEU 32 HB1 LEU 32 8.867 -2.134 -2.603 229 HB3 LEU 32 HB2 LEU 32 8.192 -0.668 -3.304 230 HG LEU 32 HG LEU 32 6.896 -3.388 -3.758 231 HD11 LEU 32 HD11 LEU 32 6.416 -1.547 -1.375 232 HD12 LEU 32 HD12 LEU 32 7.291 -3.092 -1.337 233 HD13 LEU 32 HD13 LEU 32 5.571 -3.074 -1.738 234 HD21 LEU 32 HD21 LEU 32 4.810 -2.087 -3.906 235 HD22 LEU 32 HD22 LEU 32 5.931 -1.467 -5.077 236 HD23 LEU 32 HD23 LEU 32 5.683 -0.577 -3.565 237 H VAL 33 H VAL 33 7.983 -3.456 -6.609 238 HA VAL 33 HA VAL 33 7.151 -1.037 -8.217 239 HB VAL 33 HB VAL 33 7.447 -2.394 -10.237 240 HG11 VAL 33 HG11 VAL 33 9.426 -1.124 -9.387 241 HG12 VAL 33 HG12 VAL 33 9.974 -2.571 -8.522 242 HG13 VAL 33 HG13 VAL 33 9.881 -2.569 -10.292 243 HG21 VAL 33 HG21 VAL 33 8.525 -4.609 -10.206 244 HG22 VAL 33 HG22 VAL 33 8.512 -4.626 -8.436 245 HG23 VAL 33 HG23 VAL 33 6.985 -4.673 -9.346 246 H GLY 34 H GLY 34 6.040 -3.777 -6.477 247 HA2 GLY 34 HA3 GLY 34 3.298 -3.538 -7.401 248 HA3 GLY 34 HA2 GLY 34 4.091 -5.072 -7.828 249 H ALA 35 H ALA 35 2.130 -5.661 -6.526 250 HA ALA 35 HA ALA 35 3.030 -6.575 -3.927 251 HB1 ALA 35 HB1 ALA 35 0.858 -5.777 -2.817 252 HB2 ALA 35 HB2 ALA 35 2.048 -4.543 -3.187 253 HB3 ALA 35 HB3 ALA 35 0.629 -4.731 -4.238 254 H ARG 36 H ARG 36 1.056 -7.928 -2.954 255 HA ARG 36 HA ARG 36 -0.902 -8.931 -4.862 256 HB2 ARG 36 HB1 ARG 36 1.481 -10.453 -4.417 257 HB3 ARG 36 HB2 ARG 36 0.170 -11.283 -3.555 258 HG2 ARG 36 HG1 ARG 36 -1.132 -11.106 -5.785 259 HG3 ARG 36 HG2 ARG 36 0.452 -10.735 -6.506 260 HD2 ARG 36 HD1 ARG 36 -0.436 -13.248 -5.036 261 HD3 ARG 36 HD2 ARG 36 0.158 -13.131 -6.690 262 HE ARG 36 HE ARG 36 1.734 -13.158 -4.159 263 HH11 ARG 36 HH12 ARG 36 2.008 -12.539 -7.628 264 HH12 ARG 36 HH11 ARG 36 3.742 -12.713 -7.580 265 HH21 ARG 36 HH22 ARG 36 3.787 -13.241 -4.112 266 HH22 ARG 36 HH21 ARG 36 4.791 -13.153 -5.552 267 H THR 37 H THR 37 -2.497 -10.384 -3.634 268 HA THR 37 HA THR 37 -2.400 -10.625 -0.767 269 HB THR 37 HB THR 37 -2.953 -8.336 -0.616 270 HG1 THR 37 HG1 THR 37 -4.183 -9.349 0.731 271 HG21 THR 37 HG21 THR 37 -5.082 -8.825 -2.751 272 HG22 THR 37 HG22 THR 37 -3.677 -7.739 -2.856 273 HG23 THR 37 HG23 THR 37 -4.991 -7.371 -1.737 274 HA PRO 38 HA PRO 38 -5.092 -13.847 -2.213 275 HB2 PRO 38 HB1 PRO 38 -6.202 -14.830 0.063 276 HB3 PRO 38 HB2 PRO 38 -4.455 -14.953 -0.327 277 HG2 PRO 38 HG1 PRO 38 -5.805 -12.942 1.471 278 HG3 PRO 38 HG2 PRO 38 -4.344 -13.937 1.819 279 HD2 PRO 38 HD1 PRO 38 -4.235 -11.349 0.887 280 HD3 PRO 38 HD2 PRO 38 -2.990 -12.544 0.469 281 H VAL 39 H VAL 39 -6.245 -10.993 -1.034 282 HA VAL 39 HA VAL 39 -9.046 -11.556 -1.946 283 HB VAL 39 HB VAL 39 -9.937 -10.101 -0.177 284 HG11 VAL 39 HG11 VAL 39 -9.604 -11.622 1.727 285 HG12 VAL 39 HG12 VAL 39 -9.875 -12.512 0.212 286 HG13 VAL 39 HG13 VAL 39 -8.245 -12.391 0.914 287 HG21 VAL 39 HG21 VAL 39 -7.868 -8.701 0.269 288 HG22 VAL 39 HG22 VAL 39 -8.561 -9.405 1.734 289 HG23 VAL 39 HG23 VAL 39 -7.119 -10.134 0.995 290 H ALA 40 H ALA 40 -7.095 -10.460 -3.692 291 HA ALA 40 HA ALA 40 -9.001 -8.579 -4.773 292 HB1 ALA 40 HB1 ALA 40 -7.550 -7.040 -3.345 293 HB2 ALA 40 HB2 ALA 40 -6.197 -7.449 -4.418 294 HB3 ALA 40 HB3 ALA 40 -7.646 -6.651 -5.060 295 H GLU 41 H GLU 41 -9.041 -8.942 -6.967 296 HA GLU 41 HA GLU 41 -6.964 -10.544 -8.273 297 HB2 GLU 41 HB1 GLU 41 -9.626 -10.429 -8.591 298 HB3 GLU 41 HB2 GLU 41 -9.192 -9.217 -9.807 299 HG2 GLU 41 HG1 GLU 41 -9.309 -11.303 -10.967 300 HG3 GLU 41 HG2 GLU 41 -7.580 -10.988 -10.776 301 H ARG 42 H ARG 42 -7.780 -7.147 -8.107 302 HA ARG 42 HA ARG 42 -5.331 -6.559 -9.721 303 HB2 ARG 42 HB1 ARG 42 -7.306 -4.435 -8.922 304 HB3 ARG 42 HB2 ARG 42 -6.004 -4.363 -10.125 305 HG2 ARG 42 HG1 ARG 42 -7.396 -5.980 -11.529 306 HG3 ARG 42 HG2 ARG 42 -8.711 -5.727 -10.345 307 HD2 ARG 42 HD1 ARG 42 -9.273 -4.061 -11.815 308 HD3 ARG 42 HD2 ARG 42 -8.138 -3.141 -10.831 309 HE ARG 42 HE ARG 42 -7.195 -4.612 -13.247 310 HH11 ARG 42 HH12 ARG 42 -7.314 -1.409 -11.628 311 HH12 ARG 42 HH11 ARG 42 -6.833 -0.604 -13.043 312 HH21 ARG 42 HH22 ARG 42 -6.283 -3.467 -14.923 313 HH22 ARG 42 HH21 ARG 42 -6.106 -1.739 -14.806 314 H VAL 43 H VAL 43 -3.709 -5.919 -8.521 315 HA VAL 43 HA VAL 43 -4.323 -4.158 -6.235 316 HB VAL 43 HB VAL 43 -3.133 -6.180 -5.388 317 HG11 VAL 43 HG11 VAL 43 -0.637 -5.090 -6.781 318 HG12 VAL 43 HG12 VAL 43 -0.823 -6.497 -5.729 319 HG13 VAL 43 HG13 VAL 43 -1.561 -6.513 -7.331 320 HG21 VAL 43 HG21 VAL 43 -3.134 -3.985 -4.223 321 HG22 VAL 43 HG22 VAL 43 -1.693 -4.954 -3.895 322 HG23 VAL 43 HG23 VAL 43 -1.598 -3.579 -5.020 323 H GLU 44 H GLU 44 -3.388 -2.188 -6.377 324 HA GLU 44 HA GLU 44 -1.638 -1.490 -8.710 325 HB2 GLU 44 HB1 GLU 44 -4.083 -0.018 -7.640 326 HB3 GLU 44 HB2 GLU 44 -2.964 0.628 -8.860 327 HG2 GLU 44 HG1 GLU 44 -3.662 -0.977 -10.482 328 HG3 GLU 44 HG2 GLU 44 -4.524 -1.937 -9.265 329 H LEU 45 H LEU 45 -0.330 0.387 -8.277 330 HA LEU 45 HA LEU 45 -0.004 1.057 -5.367 331 HB2 LEU 45 HB1 LEU 45 1.892 -0.155 -6.378 332 HB3 LEU 45 HB2 LEU 45 2.010 1.101 -7.635 333 HG LEU 45 HG LEU 45 2.403 2.769 -5.711 334 HD11 LEU 45 HD11 LEU 45 3.272 1.947 -3.617 335 HD12 LEU 45 HD12 LEU 45 3.104 0.268 -4.145 336 HD13 LEU 45 HD13 LEU 45 1.651 1.255 -3.822 337 HD21 LEU 45 HD21 LEU 45 4.773 2.184 -5.607 338 HD22 LEU 45 HD22 LEU 45 4.150 1.879 -7.238 339 HD23 LEU 45 HD23 LEU 45 4.401 0.515 -6.121 340 H HIS 46 H HIS 46 -0.631 3.010 -4.802 341 HA HIS 46 HA HIS 46 -0.753 5.202 -6.839 342 HB2 HIS 46 HB1 HIS 46 -2.637 4.498 -4.568 343 HB3 HIS 46 HB2 HIS 46 -2.713 6.023 -5.465 344 HD2 HIS 46 HD2 HIS 46 -2.216 3.581 -8.126 345 HE1 HIS 46 HE1 HIS 46 -6.393 3.388 -7.366 346 HE2 HIS 46 HE2 HIS 46 -4.561 2.674 -9.001 347 H GLU 47 H GLU 47 -0.699 7.316 -6.014 348 HA GLU 47 HA GLU 47 0.141 7.687 -3.210 349 HB2 GLU 47 HB1 GLU 47 1.917 8.915 -3.476 350 HB3 GLU 47 HB2 GLU 47 2.053 7.908 -4.940 351 HG2 GLU 47 HG1 GLU 47 2.596 9.933 -5.772 352 HG3 GLU 47 HG2 GLU 47 0.869 9.918 -6.105 353 H THR 48 H THR 48 -0.336 9.956 -2.436 354 HA THR 48 HA THR 48 -2.849 11.049 -3.605 355 HB THR 48 HB THR 48 -2.489 10.104 -0.752 356 HG1 THR 48 HG1 THR 48 -4.377 9.023 -1.279 357 HG21 THR 48 HG21 THR 48 -3.669 12.333 -0.782 358 HG22 THR 48 HG22 THR 48 -4.648 10.992 -0.201 359 HG23 THR 48 HG23 THR 48 -4.898 11.606 -1.843 360 H PHE 49 H PHE 49 -2.639 13.173 -3.694 361 HA PHE 49 HA PHE 49 -0.426 14.557 -2.251 362 HB2 PHE 49 HB1 PHE 49 -0.405 16.055 -4.230 363 HB3 PHE 49 HB2 PHE 49 0.020 14.389 -4.600 364 HD1 PHE 49 HD2 PHE 49 -2.673 16.956 -4.823 365 HD2 PHE 49 HD1 PHE 49 -1.339 13.104 -6.191 366 HE1 PHE 49 HE2 PHE 49 -4.437 16.973 -6.552 367 HE2 PHE 49 HE1 PHE 49 -3.068 13.157 -7.988 368 HZ PHE 49 HZ PHE 49 -4.574 15.140 -8.201 369 H MET 50 H MET 50 -0.752 16.960 -2.207 370 HA MET 50 HA MET 50 -3.551 17.780 -1.620 371 HB2 MET 50 HB1 MET 50 -2.023 18.100 0.265 372 HB3 MET 50 HB2 MET 50 -0.903 19.023 -0.757 373 HG2 MET 50 HG1 MET 50 -2.501 20.772 -1.072 374 HG3 MET 50 HG2 MET 50 -3.809 19.781 -0.389 375 HE1 MET 50 HE1 MET 50 -0.507 21.992 1.948 376 HE2 MET 50 HE2 MET 50 -0.119 20.386 1.307 377 HE3 MET 50 HE3 MET 50 -0.554 21.709 0.195 378 H ARG 51 H ARG 51 -4.420 19.420 -2.774 379 HA ARG 51 HA ARG 51 -2.823 20.982 -4.717 380 HB2 ARG 51 HB1 ARG 51 -5.058 19.128 -5.365 381 HB3 ARG 51 HB2 ARG 51 -5.243 20.775 -6.025 382 HG2 ARG 51 HG1 ARG 51 -2.881 20.532 -6.944 383 HG3 ARG 51 HG2 ARG 51 -2.991 18.814 -6.568 384 HD2 ARG 51 HD1 ARG 51 -4.992 18.630 -8.033 385 HD3 ARG 51 HD2 ARG 51 -4.931 20.385 -8.333 386 HE ARG 51 HE ARG 51 -2.420 19.254 -9.015 387 HH11 ARG 51 HH12 ARG 51 -5.713 19.276 -10.273 388 HH12 ARG 51 HH11 ARG 51 -5.200 19.010 -11.917 389 HH21 ARG 51 HH22 ARG 51 -1.809 18.920 -11.149 390 HH22 ARG 51 HH21 ARG 51 -3.011 18.820 -12.403 391 H GLU 52 H GLU 52 -3.853 23.030 -5.271 392 HA GLU 52 HA GLU 52 -6.020 24.017 -3.533 393 HB2 GLU 52 HB1 GLU 52 -3.905 25.328 -4.042 394 HB3 GLU 52 HB2 GLU 52 -4.335 25.249 -5.769 395 HG2 GLU 52 HG1 GLU 52 -5.095 27.331 -5.155 396 HG3 GLU 52 HG2 GLU 52 -6.570 26.402 -5.016 397 H VAL 53 H VAL 53 -8.084 24.321 -4.504 398 HA VAL 53 HA VAL 53 -8.045 24.841 -7.403 399 HB VAL 53 HB VAL 53 -10.347 23.973 -7.673 400 HG11 VAL 53 HG11 VAL 53 -9.749 21.650 -8.109 401 HG12 VAL 53 HG12 VAL 53 -8.391 22.707 -8.529 402 HG13 VAL 53 HG13 VAL 53 -8.353 21.764 -7.021 403 HG21 VAL 53 HG21 VAL 53 -11.142 23.724 -5.380 404 HG22 VAL 53 HG22 VAL 53 -11.201 22.159 -6.191 405 HG23 VAL 53 HG23 VAL 53 -9.896 22.504 -5.040 406 H GLU 54 H GLU 54 -9.168 26.764 -7.813 407 HA GLU 54 HA GLU 54 -10.236 28.725 -7.445 408 HB2 GLU 54 HB1 GLU 54 -11.913 27.107 -5.508 409 HB3 GLU 54 HB2 GLU 54 -12.422 28.595 -6.318 410 HG2 GLU 54 HG1 GLU 54 -12.723 27.496 -8.390 411 HG3 GLU 54 HG2 GLU 54 -11.820 26.056 -7.867 412 H GLY 55 H GLY 55 -8.182 27.938 -5.230 413 HA2 GLY 55 HA3 GLY 55 -7.210 29.387 -3.574 414 HA3 GLY 55 HA2 GLY 55 -8.788 30.182 -3.372 415 H LYS 56 H LYS 56 -9.050 26.764 -3.346 416 HA LYS 56 HA LYS 56 -9.074 26.581 -0.432 417 HB2 LYS 56 HB1 LYS 56 -11.075 25.077 -0.577 418 HB3 LYS 56 HB2 LYS 56 -11.359 26.824 -0.775 419 HG2 LYS 56 HG1 LYS 56 -11.457 26.569 -3.176 420 HG3 LYS 56 HG2 LYS 56 -11.083 24.841 -3.033 421 HD2 LYS 56 HD1 LYS 56 -13.290 24.379 -2.122 422 HD3 LYS 56 HD2 LYS 56 -13.633 26.128 -1.973 423 HE2 LYS 56 HE1 LYS 56 -13.306 26.454 -4.354 424 HE3 LYS 56 HE2 LYS 56 -12.829 24.776 -4.600 425 HZ1 LYS 56 HZ1 LYS 56 -14.955 25.268 -5.381 426 HZ2 LYS 56 HZ2 LYS 56 -15.534 25.758 -3.942 427 HZ3 LYS 56 HZ3 LYS 56 -15.116 24.148 -4.189 428 H LYS 57 H LYS 57 -8.241 24.913 0.342 429 HA LYS 57 HA LYS 57 -6.457 23.254 -1.128 430 HB2 LYS 57 HB1 LYS 57 -7.122 22.699 1.731 431 HB3 LYS 57 HB2 LYS 57 -5.548 22.704 0.942 432 HG2 LYS 57 HG1 LYS 57 -7.163 25.065 1.957 433 HG3 LYS 57 HG2 LYS 57 -5.640 24.439 2.620 434 HD2 LYS 57 HD1 LYS 57 -4.425 25.767 1.268 435 HD3 LYS 57 HD2 LYS 57 -5.336 25.267 -0.168 436 HE2 LYS 57 HE1 LYS 57 -7.212 26.813 0.676 437 HE3 LYS 57 HE2 LYS 57 -6.068 27.448 1.857 438 HZ1 LYS 57 HZ1 LYS 57 -6.280 28.716 -0.297 439 HZ2 LYS 57 HZ2 LYS 57 -5.664 27.477 -1.092 440 HZ3 LYS 57 HZ3 LYS 57 -4.711 28.241 -0.018 441 H VAL 58 H VAL 58 -6.769 21.256 -1.844 442 HA VAL 58 HA VAL 58 -8.850 19.429 -0.792 443 HB VAL 58 HB VAL 58 -9.190 18.735 -3.167 444 HG11 VAL 58 HG11 VAL 58 -10.840 20.449 -3.724 445 HG12 VAL 58 HG12 VAL 58 -10.854 20.142 -1.980 446 HG13 VAL 58 HG13 VAL 58 -10.060 21.599 -2.619 447 HG21 VAL 58 HG21 VAL 58 -7.191 19.737 -4.213 448 HG22 VAL 58 HG22 VAL 58 -8.687 20.186 -5.039 449 HG23 VAL 58 HG23 VAL 58 -7.890 21.355 -3.972 450 H MET 59 H MET 59 -8.418 17.168 -1.543 451 HA MET 59 HA MET 59 -5.534 16.623 -2.052 452 HB2 MET 59 HB1 MET 59 -7.305 15.224 -0.028 453 HB3 MET 59 HB2 MET 59 -5.667 14.704 -0.525 454 HG2 MET 59 HG1 MET 59 -5.195 15.858 1.395 455 HG3 MET 59 HG2 MET 59 -4.945 17.102 0.179 456 HE1 MET 59 HE1 MET 59 -5.612 19.611 1.288 457 HE2 MET 59 HE2 MET 59 -6.079 19.336 2.981 458 HE3 MET 59 HE3 MET 59 -4.718 18.436 2.286 459 H GLY 60 H GLY 60 -5.086 15.161 -3.522 460 HA2 GLY 60 HA3 GLY 60 -7.311 13.684 -4.857 461 HA3 GLY 60 HA2 GLY 60 -6.102 14.593 -5.791 462 H MET 61 H MET 61 -6.226 12.075 -6.517 463 HA MET 61 HA MET 61 -3.925 10.625 -5.286 464 HB2 MET 61 HB1 MET 61 -5.774 9.734 -4.147 465 HB3 MET 61 HB2 MET 61 -6.775 9.737 -5.605 466 HG2 MET 61 HG1 MET 61 -5.233 7.933 -6.496 467 HG3 MET 61 HG2 MET 61 -4.540 7.836 -4.884 468 HE1 MET 61 HE1 MET 61 -8.023 6.841 -2.960 469 HE2 MET 61 HE2 MET 61 -6.641 7.957 -2.847 470 HE3 MET 61 HE3 MET 61 -8.110 8.438 -3.748 471 H ARG 62 H ARG 62 -2.964 9.079 -6.669 472 HA ARG 62 HA ARG 62 -3.688 8.914 -9.499 473 HB2 ARG 62 HB1 ARG 62 -1.537 9.907 -10.259 474 HB3 ARG 62 HB2 ARG 62 -2.637 11.083 -9.499 475 HG2 ARG 62 HG1 ARG 62 -1.308 10.911 -7.393 476 HG3 ARG 62 HG2 ARG 62 -0.169 9.821 -8.220 477 HD2 ARG 62 HD1 ARG 62 0.445 11.555 -9.797 478 HD3 ARG 62 HD2 ARG 62 -0.831 12.632 -9.182 479 HE ARG 62 HE ARG 62 0.655 12.196 -6.934 480 HH11 ARG 62 HH12 ARG 62 1.744 13.220 -10.152 481 HH12 ARG 62 HH11 ARG 62 3.119 14.044 -9.466 482 HH21 ARG 62 HH22 ARG 62 2.298 13.225 -6.196 483 HH22 ARG 62 HH21 ARG 62 3.496 14.019 -7.215 484 HA PRO 63 HA PRO 63 -1.221 5.206 -8.865 485 HB2 PRO 63 HB1 PRO 63 -0.744 4.325 -11.371 486 HB3 PRO 63 HB2 PRO 63 -2.390 4.308 -10.665 487 HG2 PRO 63 HG1 PRO 63 -1.169 6.412 -12.482 488 HG3 PRO 63 HG2 PRO 63 -2.764 5.594 -12.656 489 HD2 PRO 63 HD1 PRO 63 -2.489 8.065 -11.479 490 HD3 PRO 63 HD2 PRO 63 -3.702 6.880 -10.917 491 H VAL 64 H VAL 64 0.951 4.475 -8.947 492 HA VAL 64 HA VAL 64 2.958 6.298 -10.171 493 HB VAL 64 HB VAL 64 4.344 6.217 -8.108 494 HG11 VAL 64 HG11 VAL 64 3.270 8.003 -6.958 495 HG12 VAL 64 HG12 VAL 64 2.935 8.191 -8.683 496 HG13 VAL 64 HG13 VAL 64 1.671 7.561 -7.598 497 HG21 VAL 64 HG21 VAL 64 1.860 5.106 -6.752 498 HG22 VAL 64 HG22 VAL 64 3.429 4.291 -6.974 499 HG23 VAL 64 HG23 VAL 64 3.305 5.705 -5.928 500 HA PRO 65 HA PRO 65 4.555 2.551 -11.506 501 HB2 PRO 65 HB1 PRO 65 7.083 3.076 -12.236 502 HB3 PRO 65 HB2 PRO 65 5.697 3.978 -12.927 503 HG2 PRO 65 HG1 PRO 65 7.508 4.825 -10.649 504 HG3 PRO 65 HG2 PRO 65 7.034 5.778 -12.101 505 HD2 PRO 65 HD1 PRO 65 5.749 5.997 -9.674 506 HD3 PRO 65 HD2 PRO 65 4.901 6.190 -11.227 507 H PHE 66 H PHE 66 6.371 3.771 -8.735 508 HA PHE 66 HA PHE 66 6.687 1.225 -7.499 509 HB2 PHE 66 HB1 PHE 66 9.090 0.918 -7.690 510 HB3 PHE 66 HB2 PHE 66 8.346 0.823 -9.273 511 HD1 PHE 66 HD1 PHE 66 10.402 2.854 -6.998 512 HD2 PHE 66 HD2 PHE 66 8.844 2.444 -10.963 513 HE1 PHE 66 HE1 PHE 66 11.849 4.716 -7.693 514 HE2 PHE 66 HE2 PHE 66 10.391 4.281 -11.755 515 HZ PHE 66 HZ PHE 66 11.879 5.426 -10.111 516 H LEU 67 H LEU 67 8.149 1.329 -5.617 517 HA LEU 67 HA LEU 67 8.696 4.060 -4.534 518 HB2 LEU 67 HB1 LEU 67 8.194 1.516 -2.938 519 HB3 LEU 67 HB2 LEU 67 8.469 3.132 -2.281 520 HG LEU 67 HG LEU 67 6.006 2.067 -3.717 521 HD11 LEU 67 HD11 LEU 67 4.956 2.590 -1.540 522 HD12 LEU 67 HD12 LEU 67 6.540 3.152 -0.931 523 HD13 LEU 67 HD13 LEU 67 6.302 1.441 -1.366 524 HD21 LEU 67 HD21 LEU 67 6.494 4.921 -2.735 525 HD22 LEU 67 HD22 LEU 67 4.953 4.253 -3.324 526 HD23 LEU 67 HD23 LEU 67 6.311 4.430 -4.432 527 H GLU 68 H GLU 68 10.630 4.229 -3.347 528 HA GLU 68 HA GLU 68 12.750 2.232 -4.071 529 HB2 GLU 68 HB1 GLU 68 12.902 4.403 -5.337 530 HB3 GLU 68 HB2 GLU 68 12.983 5.264 -3.780 531 HG2 GLU 68 HG1 GLU 68 15.216 5.129 -4.338 532 HG3 GLU 68 HG2 GLU 68 15.071 3.704 -3.320 533 H VAL 69 H VAL 69 14.004 1.547 -2.328 534 HA VAL 69 HA VAL 69 14.098 3.368 -0.034 535 HB VAL 69 HB VAL 69 13.526 0.395 0.401 536 HG11 VAL 69 HG11 VAL 69 13.236 1.011 2.789 537 HG12 VAL 69 HG12 VAL 69 14.879 1.308 2.236 538 HG13 VAL 69 HG13 VAL 69 13.758 2.668 2.426 539 HG21 VAL 69 HG21 VAL 69 11.370 1.168 1.422 540 HG22 VAL 69 HG22 VAL 69 11.693 2.791 0.811 541 HG23 VAL 69 HG23 VAL 69 11.452 1.443 -0.323 542 HA PRO 70 HA PRO 70 18.403 2.246 -0.466 543 HB2 PRO 70 HB1 PRO 70 19.498 3.855 1.440 544 HB3 PRO 70 HB2 PRO 70 18.808 4.506 -0.078 545 HG2 PRO 70 HG1 PRO 70 17.455 4.281 2.630 546 HG3 PRO 70 HG2 PRO 70 17.560 5.730 1.567 547 HD2 PRO 70 HD1 PRO 70 15.381 4.089 1.560 548 HD3 PRO 70 HD2 PRO 70 15.984 4.834 0.053 549 HA PRO 71 HA PRO 71 19.169 -0.956 2.491 550 HB2 PRO 71 HB1 PRO 71 21.855 -0.746 3.073 551 HB3 PRO 71 HB2 PRO 71 21.154 -1.432 1.577 552 HG2 PRO 71 HG1 PRO 71 22.221 1.360 2.026 553 HG3 PRO 71 HG2 PRO 71 22.539 0.254 0.639 554 HD2 PRO 71 HD1 PRO 71 20.682 2.220 0.465 555 HD3 PRO 71 HD2 PRO 71 20.387 0.609 -0.251 556 H LYS 72 H LYS 72 18.859 -1.296 4.605 557 HA LYS 72 HA LYS 72 18.605 -1.029 6.820 558 HB2 LYS 72 HB1 LYS 72 20.701 1.125 6.506 559 HB3 LYS 72 HB2 LYS 72 19.981 0.681 8.076 560 HG2 LYS 72 HG1 LYS 72 22.270 -0.257 7.474 561 HG3 LYS 72 HG2 LYS 72 21.054 -1.346 8.169 562 HD2 LYS 72 HD1 LYS 72 20.689 -2.417 6.094 563 HD3 LYS 72 HD2 LYS 72 21.588 -1.183 5.197 564 HE2 LYS 72 HE1 LYS 72 22.970 -2.930 7.227 565 HE3 LYS 72 HE2 LYS 72 22.665 -3.458 5.535 566 HZ1 LYS 72 HZ1 LYS 72 24.325 -1.172 6.403 567 HZ2 LYS 72 HZ2 LYS 72 23.814 -1.398 4.851 568 HZ3 LYS 72 HZ3 LYS 72 24.769 -2.493 5.500 569 H GLY 73 H GLY 73 17.731 1.326 4.662 570 HA2 GLY 73 HA3 GLY 73 16.418 3.207 6.457 571 HA3 GLY 73 HA2 GLY 73 16.257 3.136 4.687 572 H ARG 74 H ARG 74 14.257 3.468 6.980 573 HA ARG 74 HA ARG 74 12.271 1.419 6.174 574 HB2 ARG 74 HB1 ARG 74 12.580 1.360 8.482 575 HB3 ARG 74 HB2 ARG 74 12.829 3.126 8.592 576 HG2 ARG 74 HG1 ARG 74 10.854 2.637 9.700 577 HG3 ARG 74 HG2 ARG 74 10.401 3.457 8.211 578 HD2 ARG 74 HD1 ARG 74 9.087 1.771 7.612 579 HD3 ARG 74 HD2 ARG 74 10.370 0.589 7.794 580 HE ARG 74 HE ARG 74 8.197 1.228 9.654 581 HH11 ARG 74 HH12 ARG 74 11.387 -0.372 9.581 582 HH12 ARG 74 HH11 ARG 74 10.868 -1.571 10.705 583 HH21 ARG 74 HH22 ARG 74 7.653 -0.300 11.101 584 HH22 ARG 74 HH21 ARG 74 8.727 -1.597 11.492 585 H VAL 75 H VAL 75 10.459 2.090 5.215 586 HA VAL 75 HA VAL 75 9.658 4.946 5.055 587 HB VAL 75 HB VAL 75 10.032 3.192 2.574 588 HG11 VAL 75 HG11 VAL 75 7.984 4.542 2.342 589 HG12 VAL 75 HG12 VAL 75 8.862 6.005 2.838 590 HG13 VAL 75 HG13 VAL 75 9.245 5.200 1.301 591 HG21 VAL 75 HG21 VAL 75 11.572 5.015 1.797 592 HG22 VAL 75 HG22 VAL 75 11.409 5.805 3.378 593 HG23 VAL 75 HG23 VAL 75 12.176 4.207 3.243 594 H GLU 76 H GLU 76 7.486 4.954 5.627 595 HA GLU 76 HA GLU 76 5.907 2.524 5.212 596 HB2 GLU 76 HB1 GLU 76 6.483 3.278 7.445 597 HB3 GLU 76 HB2 GLU 76 5.784 4.850 7.173 598 HG2 GLU 76 HG1 GLU 76 4.164 2.299 6.913 599 HG3 GLU 76 HG2 GLU 76 4.538 3.052 8.489 600 H LEU 77 H LEU 77 3.863 2.605 4.276 601 HA LEU 77 HA LEU 77 3.439 4.789 2.353 602 HB2 LEU 77 HB1 LEU 77 2.149 2.081 2.809 603 HB3 LEU 77 HB2 LEU 77 1.489 3.305 1.684 604 HG LEU 77 HG LEU 77 3.815 3.246 0.571 605 HD11 LEU 77 HD11 LEU 77 4.978 1.781 2.241 606 HD12 LEU 77 HD12 LEU 77 4.948 1.058 0.630 607 HD13 LEU 77 HD13 LEU 77 3.822 0.484 1.858 608 HD21 LEU 77 HD21 LEU 77 3.051 1.311 -0.850 609 HD22 LEU 77 HD22 LEU 77 1.795 2.515 -0.545 610 HD23 LEU 77 HD23 LEU 77 1.788 0.984 0.356 611 H LYS 78 H LYS 78 3.305 6.100 4.443 612 HA LYS 78 HA LYS 78 1.398 5.950 6.257 613 HB2 LYS 78 HB1 LYS 78 1.606 8.282 6.798 614 HB3 LYS 78 HB2 LYS 78 3.180 7.609 6.386 615 HG2 LYS 78 HG1 LYS 78 1.525 9.192 4.391 616 HG3 LYS 78 HG2 LYS 78 2.581 9.984 5.598 617 HD2 LYS 78 HD1 LYS 78 4.397 9.644 4.367 618 HD3 LYS 78 HD2 LYS 78 4.049 7.916 4.162 619 HE2 LYS 78 HE1 LYS 78 4.156 8.960 1.986 620 HE3 LYS 78 HE2 LYS 78 2.486 8.455 2.326 621 HZ1 LYS 78 HZ1 LYS 78 3.553 11.215 2.621 622 HZ2 LYS 78 HZ2 LYS 78 1.993 10.764 2.864 623 HZ3 LYS 78 HZ3 LYS 78 2.640 10.709 1.355 624 HA PRO 79 HA PRO 79 -2.330 5.721 4.572 625 HB2 PRO 79 HB1 PRO 79 -4.185 6.565 6.469 626 HB3 PRO 79 HB2 PRO 79 -3.242 5.044 6.524 627 HG2 PRO 79 HG1 PRO 79 -2.534 7.709 7.793 628 HG3 PRO 79 HG2 PRO 79 -2.551 6.090 8.568 629 HD2 PRO 79 HD1 PRO 79 -0.229 7.082 7.676 630 HD3 PRO 79 HD2 PRO 79 -0.641 5.383 7.289 631 H GLY 80 H GLY 80 -1.750 9.087 5.353 632 HA2 GLY 80 HA3 GLY 80 -4.024 10.034 3.756 633 HA3 GLY 80 HA2 GLY 80 -2.761 11.025 4.520 634 H GLY 81 H GLY 81 -1.092 8.704 2.816 635 HA2 GLY 81 HA3 GLY 81 -0.905 10.378 0.350 636 HA3 GLY 81 HA2 GLY 81 0.535 9.883 1.268 637 H TYR 82 H TYR 82 1.503 7.976 0.767 638 HA TYR 82 HA TYR 82 0.652 6.608 -1.634 639 HB2 TYR 82 HB1 TYR 82 2.873 6.116 0.351 640 HB3 TYR 82 HB2 TYR 82 2.567 5.053 -1.040 641 HD1 TYR 82 HD1 TYR 82 3.696 8.445 -0.035 642 HD2 TYR 82 HD2 TYR 82 3.109 5.686 -3.277 643 HE1 TYR 82 HE1 TYR 82 5.087 9.892 -1.509 644 HE2 TYR 82 HE2 TYR 82 4.554 7.077 -4.721 645 HH TYR 82 HH TYR 82 6.036 10.134 -3.587 646 H HIS 83 H HIS 83 -0.065 4.572 -1.927 647 HA HIS 83 HA HIS 83 -0.599 2.706 0.203 648 HB2 HIS 83 HB1 HIS 83 -3.045 2.777 0.129 649 HB3 HIS 83 HB2 HIS 83 -2.335 4.284 0.746 650 HD1 HIS 83 HD1 HIS 83 -2.382 6.417 -1.058 651 HD2 HIS 83 HD2 HIS 83 -4.642 2.968 -1.966 652 HE1 HIS 83 HE1 HIS 83 -3.871 7.024 -3.025 653 H PHE 84 H PHE 84 -1.869 0.813 -0.644 654 HA PHE 84 HA PHE 84 -1.523 0.470 -3.577 655 HB2 PHE 84 HB1 PHE 84 -2.188 -1.475 -1.338 656 HB3 PHE 84 HB2 PHE 84 -2.186 -1.896 -3.063 657 HD1 PHE 84 HD1 PHE 84 -0.085 -1.773 -4.388 658 HD2 PHE 84 HD2 PHE 84 -0.100 -1.169 -0.123 659 HE1 PHE 84 HE1 PHE 84 2.354 -2.130 -4.332 660 HE2 PHE 84 HE2 PHE 84 2.354 -1.543 -0.061 661 HZ PHE 84 HZ PHE 84 3.578 -2.026 -2.153 662 H MET 85 H MET 85 -3.430 0.008 -4.813 663 HA MET 85 HA MET 85 -6.124 0.420 -3.544 664 HB2 MET 85 HB1 MET 85 -5.217 1.775 -5.680 665 HB3 MET 85 HB2 MET 85 -5.927 0.371 -6.501 666 HG2 MET 85 HG1 MET 85 -7.684 1.942 -6.333 667 HG3 MET 85 HG2 MET 85 -8.018 0.748 -5.074 668 HE1 MET 85 HE1 MET 85 -9.455 3.831 -3.285 669 HE2 MET 85 HE2 MET 85 -9.704 3.076 -4.881 670 HE3 MET 85 HE3 MET 85 -9.551 2.064 -3.428 671 H LEU 86 H LEU 86 -7.553 -1.309 -3.623 672 HA LEU 86 HA LEU 86 -6.635 -3.860 -4.912 673 HB2 LEU 86 HB1 LEU 86 -8.002 -3.212 -2.289 674 HB3 LEU 86 HB2 LEU 86 -8.160 -4.815 -3.057 675 HG LEU 86 HG LEU 86 -5.776 -5.210 -2.815 676 HD11 LEU 86 HD11 LEU 86 -5.646 -2.494 -1.433 677 HD12 LEU 86 HD12 LEU 86 -4.767 -2.994 -2.897 678 HD13 LEU 86 HD13 LEU 86 -4.378 -3.742 -1.359 679 HD21 LEU 86 HD21 LEU 86 -7.360 -5.842 -1.011 680 HD22 LEU 86 HD22 LEU 86 -7.124 -4.257 -0.243 681 HD23 LEU 86 HD23 LEU 86 -5.778 -5.412 -0.341 682 H LEU 87 H LEU 87 -8.013 -4.642 -6.429 683 HA LEU 87 HA LEU 87 -10.924 -3.950 -6.260 684 HB2 LEU 87 HB1 LEU 87 -9.085 -3.249 -8.388 685 HB3 LEU 87 HB2 LEU 87 -10.256 -4.446 -8.994 686 HG LEU 87 HG LEU 87 -12.073 -2.900 -8.010 687 HD11 LEU 87 HD11 LEU 87 -9.756 -0.900 -8.144 688 HD12 LEU 87 HD12 LEU 87 -10.549 -1.443 -6.656 689 HD13 LEU 87 HD13 LEU 87 -11.464 -0.505 -7.848 690 HD21 LEU 87 HD21 LEU 87 -10.387 -1.942 -10.364 691 HD22 LEU 87 HD22 LEU 87 -12.078 -1.504 -10.043 692 HD23 LEU 87 HD23 LEU 87 -11.664 -3.181 -10.425 693 H GLY 88 H GLY 88 -12.353 -5.639 -6.691 694 HA2 GLY 88 HA3 GLY 88 -13.071 -7.754 -7.274 695 HA3 GLY 88 HA2 GLY 88 -11.504 -8.044 -8.061 696 H LEU 89 H LEU 89 -12.384 -7.341 -4.669 697 HA LEU 89 HA LEU 89 -10.700 -9.278 -3.535 698 HB2 LEU 89 HB1 LEU 89 -12.150 -8.995 -1.470 699 HB3 LEU 89 HB2 LEU 89 -11.269 -7.593 -2.115 700 HG LEU 89 HG LEU 89 -13.355 -6.696 -3.025 701 HD11 LEU 89 HD11 LEU 89 -14.726 -8.636 -3.461 702 HD12 LEU 89 HD12 LEU 89 -15.552 -7.642 -2.261 703 HD13 LEU 89 HD13 LEU 89 -14.695 -9.111 -1.748 704 HD21 LEU 89 HD21 LEU 89 -13.521 -7.394 -0.078 705 HD22 LEU 89 HD22 LEU 89 -14.313 -6.032 -0.878 706 HD23 LEU 89 HD23 LEU 89 -12.553 -6.083 -0.795 707 H LYS 90 H LYS 90 -11.083 -11.000 -2.243 708 HA LYS 90 HA LYS 90 -13.033 -12.932 -3.469 709 HB2 LYS 90 HB1 LYS 90 -10.242 -13.447 -2.418 710 HB3 LYS 90 HB2 LYS 90 -11.375 -14.675 -3.059 711 HG2 LYS 90 HG1 LYS 90 -10.434 -14.337 -5.051 712 HG3 LYS 90 HG2 LYS 90 -11.276 -12.776 -5.112 713 HD2 LYS 90 HD1 LYS 90 -9.367 -11.646 -4.159 714 HD3 LYS 90 HD2 LYS 90 -8.488 -13.172 -4.004 715 HE2 LYS 90 HE1 LYS 90 -9.358 -11.843 -6.587 716 HE3 LYS 90 HE2 LYS 90 -7.702 -11.905 -5.943 717 HZ1 LYS 90 HZ1 LYS 90 -9.291 -14.037 -7.152 718 HZ2 LYS 90 HZ2 LYS 90 -7.977 -14.425 -6.175 719 HZ3 LYS 90 HZ3 LYS 90 -7.866 -13.533 -7.564 720 H ARG 91 H ARG 91 -12.355 -11.375 -0.590 721 HA ARG 91 HA ARG 91 -14.448 -12.897 0.812 722 HB2 ARG 91 HB1 ARG 91 -11.698 -12.181 1.914 723 HB3 ARG 91 HB2 ARG 91 -13.088 -12.449 2.984 724 HG2 ARG 91 HG1 ARG 91 -13.347 -14.735 2.088 725 HG3 ARG 91 HG2 ARG 91 -11.925 -14.492 1.044 726 HD2 ARG 91 HD1 ARG 91 -10.481 -14.171 2.951 727 HD3 ARG 91 HD2 ARG 91 -11.869 -14.163 4.061 728 HE ARG 91 HE ARG 91 -11.908 -16.580 2.584 729 HH11 ARG 91 HH12 ARG 91 -9.943 -15.110 5.139 730 HH12 ARG 91 HH11 ARG 91 -9.461 -16.632 5.798 731 HH21 ARG 91 HH22 ARG 91 -11.225 -18.526 3.431 732 HH22 ARG 91 HH21 ARG 91 -10.198 -18.573 4.834 733 HA PRO 92 HA PRO 92 -15.459 -8.559 1.986 734 HB2 PRO 92 HB1 PRO 92 -16.028 -8.781 4.681 735 HB3 PRO 92 HB2 PRO 92 -17.181 -9.239 3.393 736 HG2 PRO 92 HG1 PRO 92 -15.272 -11.048 4.906 737 HG3 PRO 92 HG2 PRO 92 -17.032 -11.293 4.618 738 HD2 PRO 92 HD1 PRO 92 -15.200 -12.497 3.031 739 HD3 PRO 92 HD2 PRO 92 -16.663 -11.758 2.311 740 H LEU 93 H LEU 93 -14.349 -6.824 3.059 741 HA LEU 93 HA LEU 93 -12.353 -7.564 5.116 742 HB2 LEU 93 HB1 LEU 93 -11.199 -5.336 4.196 743 HB3 LEU 93 HB2 LEU 93 -10.791 -6.993 3.649 744 HG LEU 93 HG LEU 93 -12.136 -6.667 1.634 745 HD11 LEU 93 HD11 LEU 93 -13.786 -4.975 2.348 746 HD12 LEU 93 HD12 LEU 93 -12.875 -4.374 0.973 747 HD13 LEU 93 HD13 LEU 93 -12.483 -3.789 2.600 748 HD21 LEU 93 HD21 LEU 93 -9.703 -6.161 1.706 749 HD22 LEU 93 HD22 LEU 93 -10.103 -4.451 2.008 750 HD23 LEU 93 HD23 LEU 93 -10.581 -5.233 0.486 751 H LYS 94 H LYS 94 -13.458 -7.136 6.838 752 HA LYS 94 HA LYS 94 -14.508 -4.382 7.343 753 HB2 LYS 94 HB1 LYS 94 -15.123 -6.896 8.910 754 HB3 LYS 94 HB2 LYS 94 -15.942 -5.338 9.049 755 HG2 LYS 94 HG1 LYS 94 -16.062 -7.246 6.695 756 HG3 LYS 94 HG2 LYS 94 -17.304 -6.996 7.947 757 HD2 LYS 94 HD1 LYS 94 -18.021 -5.005 7.035 758 HD3 LYS 94 HD2 LYS 94 -16.452 -4.635 6.293 759 HE2 LYS 94 HE1 LYS 94 -18.125 -6.956 5.323 760 HE3 LYS 94 HE2 LYS 94 -18.382 -5.301 4.721 761 HZ1 LYS 94 HZ1 LYS 94 -16.132 -5.236 3.978 762 HZ2 LYS 94 HZ2 LYS 94 -16.793 -6.602 3.368 763 HZ3 LYS 94 HZ3 LYS 94 -15.772 -6.684 4.676 764 H ALA 95 H ALA 95 -14.376 -3.685 9.584 765 HA ALA 95 HA ALA 95 -11.593 -3.635 10.447 766 HB1 ALA 95 HB1 ALA 95 -14.110 -2.535 11.774 767 HB2 ALA 95 HB2 ALA 95 -12.437 -2.185 12.242 768 HB3 ALA 95 HB3 ALA 95 -13.029 -1.642 10.668 769 H GLY 96 H GLY 96 -10.682 -5.104 11.578 770 HA2 GLY 96 HA3 GLY 96 -10.435 -6.540 13.510 771 HA3 GLY 96 HA2 GLY 96 -12.188 -6.837 13.477 772 H GLU 97 H GLU 97 -11.300 -7.102 10.273 773 HA GLU 97 HA GLU 97 -10.601 -9.993 10.422 774 HB2 GLU 97 HB1 GLU 97 -11.078 -8.159 8.047 775 HB3 GLU 97 HB2 GLU 97 -10.599 -9.875 7.932 776 HG2 GLU 97 HG1 GLU 97 -12.625 -10.514 9.183 777 HG3 GLU 97 HG2 GLU 97 -13.169 -8.838 9.189 778 H GLU 98 H GLU 98 -8.759 -10.264 8.387 779 HA GLU 98 HA GLU 98 -6.514 -8.618 8.697 780 HB2 GLU 98 HB1 GLU 98 -4.993 -10.235 9.684 781 HB3 GLU 98 HB2 GLU 98 -6.267 -9.791 10.835 782 HG2 GLU 98 HG1 GLU 98 -7.446 -11.924 10.283 783 HG3 GLU 98 HG2 GLU 98 -6.106 -12.366 9.203 784 H VAL 99 H VAL 99 -5.065 -9.077 7.239 785 HA VAL 99 HA VAL 99 -5.731 -10.916 4.976 786 HB VAL 99 HB VAL 99 -5.829 -7.872 4.960 787 HG11 VAL 99 HG11 VAL 99 -6.195 -8.089 2.462 788 HG12 VAL 99 HG12 VAL 99 -4.551 -8.416 2.994 789 HG13 VAL 99 HG13 VAL 99 -5.619 -9.773 2.595 790 HG21 VAL 99 HG21 VAL 99 -7.981 -8.995 5.517 791 HG22 VAL 99 HG22 VAL 99 -8.065 -8.224 3.937 792 HG23 VAL 99 HG23 VAL 99 -7.851 -9.987 4.059 793 H GLU 100 H GLU 100 -4.017 -11.657 3.978 794 HA GLU 100 HA GLU 100 -1.342 -10.760 4.687 795 HB2 GLU 100 HB1 GLU 100 -2.164 -12.793 2.604 796 HB3 GLU 100 HB2 GLU 100 -0.551 -12.535 3.308 797 HG2 GLU 100 HG1 GLU 100 -1.987 -12.987 5.569 798 HG3 GLU 100 HG2 GLU 100 -2.970 -13.921 4.433 799 H LEU 101 H LEU 101 0.103 -9.618 3.499 800 HA LEU 101 HA LEU 101 -0.586 -8.798 0.714 801 HB2 LEU 101 HB1 LEU 101 0.240 -7.126 3.036 802 HB3 LEU 101 HB2 LEU 101 1.025 -6.774 1.473 803 HG LEU 101 HG LEU 101 -0.843 -5.330 2.003 804 HD11 LEU 101 HD11 LEU 101 -0.134 -5.663 -0.316 805 HD12 LEU 101 HD12 LEU 101 -1.836 -5.201 -0.147 806 HD13 LEU 101 HD13 LEU 101 -1.413 -6.876 -0.503 807 HD21 LEU 101 HD21 LEU 101 -2.778 -7.579 1.501 808 HD22 LEU 101 HD22 LEU 101 -3.136 -5.915 1.964 809 HD23 LEU 101 HD23 LEU 101 -2.349 -7.004 3.123 810 H ASP 102 H ASP 102 0.886 -9.102 -0.664 811 HA ASP 102 HA ASP 102 3.688 -10.002 -0.040 812 HB2 ASP 102 HB1 ASP 102 1.719 -10.598 -2.138 813 HB3 ASP 102 HB2 ASP 102 3.263 -10.063 -2.821 814 H LEU 103 H LEU 103 5.323 -8.595 -0.553 815 HA LEU 103 HA LEU 103 4.774 -6.114 -2.120 816 HB2 LEU 103 HB1 LEU 103 6.911 -6.948 -0.117 817 HB3 LEU 103 HB2 LEU 103 7.006 -5.477 -1.123 818 HG LEU 103 HG LEU 103 4.901 -4.684 -0.043 819 HD11 LEU 103 HD11 LEU 103 3.840 -6.613 0.920 820 HD12 LEU 103 HD12 LEU 103 4.363 -5.593 2.246 821 HD13 LEU 103 HD13 LEU 103 5.310 -7.039 1.835 822 HD21 LEU 103 HD21 LEU 103 6.040 -3.960 2.042 823 HD22 LEU 103 HD22 LEU 103 7.175 -3.936 0.693 824 HD23 LEU 103 HD23 LEU 103 7.226 -5.271 1.857 825 H LEU 104 H LEU 104 5.691 -5.975 -4.146 826 HA LEU 104 HA LEU 104 7.454 -8.214 -5.079 827 HB2 LEU 104 HB1 LEU 104 5.547 -6.368 -6.556 828 HB3 LEU 104 HB2 LEU 104 6.541 -7.581 -7.336 829 HG LEU 104 HG LEU 104 4.182 -7.994 -5.463 830 HD11 LEU 104 HD11 LEU 104 3.193 -9.115 -7.446 831 HD12 LEU 104 HD12 LEU 104 4.658 -8.756 -8.382 832 HD13 LEU 104 HD13 LEU 104 3.626 -7.433 -7.799 833 HD21 LEU 104 HD21 LEU 104 5.810 -9.755 -4.928 834 HD22 LEU 104 HD22 LEU 104 5.965 -10.154 -6.658 835 HD23 LEU 104 HD23 LEU 104 4.430 -10.423 -5.798 836 H PHE 105 H PHE 105 9.458 -7.764 -5.689 837 HA PHE 105 HA PHE 105 10.298 -4.897 -5.914 838 HB2 PHE 105 HB1 PHE 105 11.735 -7.309 -4.784 839 HB3 PHE 105 HB2 PHE 105 12.427 -5.693 -4.925 840 HD1 PHE 105 HD2 PHE 105 10.037 -7.849 -3.069 841 HD2 PHE 105 HD1 PHE 105 11.706 -3.879 -3.414 842 HE1 PHE 105 HE2 PHE 105 9.129 -7.270 -0.876 843 HE2 PHE 105 HE1 PHE 105 10.793 -3.319 -1.184 844 HZ PHE 105 HZ PHE 105 9.503 -5.015 0.100 845 H ALA 106 H ALA 106 11.957 -4.327 -7.253 846 HA ALA 106 HA ALA 106 12.147 -5.528 -9.810 847 HB1 ALA 106 HB1 ALA 106 13.944 -3.882 -10.192 848 HB2 ALA 106 HB2 ALA 106 12.583 -3.137 -9.332 849 HB3 ALA 106 HB3 ALA 106 14.060 -3.585 -8.445 850 H GLY 107 H GLY 107 13.872 -6.564 -10.903 851 HA2 GLY 107 HA3 GLY 107 15.635 -7.989 -11.210 852 HA3 GLY 107 HA2 GLY 107 16.244 -7.498 -9.613 853 H GLY 108 H GLY 108 13.062 -8.888 -9.618 854 HA2 GLY 108 HA3 GLY 108 12.221 -10.990 -9.220 855 HA3 GLY 108 HA2 GLY 108 13.844 -11.671 -9.474 856 H LYS 109 H LYS 109 11.879 -9.878 -7.072 857 HA LYS 109 HA LYS 109 12.671 -11.617 -4.850 858 HB2 LYS 109 HB1 LYS 109 13.384 -8.740 -5.350 859 HB3 LYS 109 HB2 LYS 109 12.810 -9.129 -3.706 860 HG2 LYS 109 HG1 LYS 109 14.609 -10.346 -3.183 861 HG3 LYS 109 HG2 LYS 109 14.879 -10.991 -4.782 862 HD2 LYS 109 HD1 LYS 109 15.486 -8.122 -3.964 863 HD3 LYS 109 HD2 LYS 109 16.676 -9.441 -3.927 864 HE2 LYS 109 HE1 LYS 109 15.194 -8.448 -6.403 865 HE3 LYS 109 HE2 LYS 109 16.866 -8.032 -5.980 866 HZ1 LYS 109 HZ1 LYS 109 17.409 -10.395 -6.193 867 HZ2 LYS 109 HZ2 LYS 109 16.717 -9.868 -7.594 868 HZ3 LYS 109 HZ3 LYS 109 15.841 -10.757 -6.562 869 H VAL 110 H VAL 110 11.082 -11.807 -3.293 870 HA VAL 110 HA VAL 110 8.615 -10.228 -3.501 871 HB VAL 110 HB VAL 110 8.713 -13.283 -3.515 872 HG11 VAL 110 HG11 VAL 110 6.285 -11.427 -3.370 873 HG12 VAL 110 HG12 VAL 110 6.218 -13.174 -3.689 874 HG13 VAL 110 HG13 VAL 110 6.818 -12.599 -2.146 875 HG21 VAL 110 HG21 VAL 110 9.105 -12.457 -5.761 876 HG22 VAL 110 HG22 VAL 110 7.454 -13.073 -5.679 877 HG23 VAL 110 HG23 VAL 110 7.748 -11.322 -5.634 878 H LEU 111 H LEU 111 7.521 -10.107 -1.455 879 HA LEU 111 HA LEU 111 8.667 -11.538 0.875 880 HB2 LEU 111 HB1 LEU 111 9.949 -9.381 0.259 881 HB3 LEU 111 HB2 LEU 111 8.522 -8.504 0.817 882 HG LEU 111 HG LEU 111 10.224 -10.377 2.510 883 HD11 LEU 111 HD11 LEU 111 10.096 -7.327 2.379 884 HD12 LEU 111 HD12 LEU 111 11.413 -8.335 1.753 885 HD13 LEU 111 HD13 LEU 111 11.097 -8.283 3.497 886 HD21 LEU 111 HD21 LEU 111 7.922 -8.512 3.255 887 HD22 LEU 111 HD22 LEU 111 9.047 -9.226 4.432 888 HD23 LEU 111 HD23 LEU 111 7.998 -10.276 3.484 889 H LYS 112 H LYS 112 6.895 -12.340 1.911 890 HA LYS 112 HA LYS 112 4.340 -10.877 1.725 891 HB2 LYS 112 HB1 LYS 112 4.547 -13.274 1.138 892 HB3 LYS 112 HB2 LYS 112 4.893 -13.655 2.818 893 HG2 LYS 112 HG1 LYS 112 2.458 -11.984 2.290 894 HG3 LYS 112 HG2 LYS 112 2.392 -13.653 1.677 895 HD2 LYS 112 HD1 LYS 112 3.085 -12.987 4.562 896 HD3 LYS 112 HD2 LYS 112 1.421 -13.267 3.977 897 HE2 LYS 112 HE1 LYS 112 2.324 -15.472 2.998 898 HE3 LYS 112 HE2 LYS 112 3.759 -15.214 3.992 899 HZ1 LYS 112 HZ1 LYS 112 2.100 -16.569 5.164 900 HZ2 LYS 112 HZ2 LYS 112 0.938 -15.468 4.891 901 HZ3 LYS 112 HZ3 LYS 112 2.111 -15.084 5.919 902 H VAL 113 H VAL 113 3.596 -9.617 3.223 903 HA VAL 113 HA VAL 113 4.272 -9.988 6.127 904 HB VAL 113 HB VAL 113 3.510 -7.684 6.492 905 HG11 VAL 113 HG11 VAL 113 5.484 -6.526 5.649 906 HG12 VAL 113 HG12 VAL 113 5.927 -8.159 6.177 907 HG13 VAL 113 HG13 VAL 113 5.765 -7.799 4.445 908 HG21 VAL 113 HG21 VAL 113 3.386 -7.395 3.479 909 HG22 VAL 113 HG22 VAL 113 2.012 -7.379 4.593 910 HG23 VAL 113 HG23 VAL 113 3.218 -6.086 4.667 911 H VAL 114 H VAL 114 2.290 -9.171 7.511 912 HA VAL 114 HA VAL 114 -0.325 -9.754 6.240 913 HB VAL 114 HB VAL 114 0.441 -10.973 8.925 914 HG11 VAL 114 HG11 VAL 114 -1.956 -10.476 8.750 915 HG12 VAL 114 HG12 VAL 114 -2.038 -11.256 7.157 916 HG13 VAL 114 HG13 VAL 114 -1.723 -12.220 8.615 917 HG21 VAL 114 HG21 VAL 114 0.301 -13.189 7.780 918 HG22 VAL 114 HG22 VAL 114 0.232 -12.342 6.217 919 HG23 VAL 114 HG23 VAL 114 1.674 -12.222 7.246 920 H LEU 115 H LEU 115 -1.899 -8.381 6.902 921 HA LEU 115 HA LEU 115 -1.327 -6.457 9.140 922 HB2 LEU 115 HB1 LEU 115 -2.649 -5.889 6.467 923 HB3 LEU 115 HB2 LEU 115 -2.441 -4.754 7.830 924 HG LEU 115 HG LEU 115 -0.920 -4.007 6.360 925 HD11 LEU 115 HD11 LEU 115 0.925 -5.982 7.737 926 HD12 LEU 115 HD12 LEU 115 0.185 -4.607 8.583 927 HD13 LEU 115 HD13 LEU 115 1.270 -4.340 7.206 928 HD21 LEU 115 HD21 LEU 115 -1.149 -5.706 4.656 929 HD22 LEU 115 HD22 LEU 115 -0.128 -6.833 5.574 930 HD23 LEU 115 HD23 LEU 115 0.558 -5.334 4.925 931 HA PRO 116 HA PRO 116 -5.712 -7.402 10.150 932 HB2 PRO 116 HB1 PRO 116 -6.357 -5.179 11.574 933 HB3 PRO 116 HB2 PRO 116 -5.344 -6.494 12.246 934 HG2 PRO 116 HG1 PRO 116 -4.413 -3.902 10.974 935 HG3 PRO 116 HG2 PRO 116 -3.889 -4.614 12.543 936 HD2 PRO 116 HD1 PRO 116 -2.441 -4.964 10.264 937 HD3 PRO 116 HD2 PRO 116 -2.614 -6.278 11.463 938 H VAL 117 H VAL 117 -7.770 -6.550 9.476 939 HA VAL 117 HA VAL 117 -7.731 -4.227 7.573 940 HB VAL 117 HB VAL 117 -10.002 -6.041 8.380 941 HG11 VAL 117 HG11 VAL 117 -11.214 -5.008 6.490 942 HG12 VAL 117 HG12 VAL 117 -10.691 -3.747 7.596 943 HG13 VAL 117 HG13 VAL 117 -9.802 -4.027 6.079 944 HG21 VAL 117 HG21 VAL 117 -8.448 -7.388 7.086 945 HG22 VAL 117 HG22 VAL 117 -9.943 -7.097 6.194 946 HG23 VAL 117 HG23 VAL 117 -8.484 -6.206 5.765 947 H GLU 118 H GLU 118 -8.578 -2.265 8.391 948 HA GLU 118 HA GLU 118 -9.871 -2.263 11.060 949 HB2 GLU 118 HB1 GLU 118 -7.154 -1.312 10.520 950 HB3 GLU 118 HB2 GLU 118 -8.165 -0.048 11.226 951 HG2 GLU 118 HG1 GLU 118 -7.748 -2.833 12.374 952 HG3 GLU 118 HG2 GLU 118 -6.950 -1.347 12.936 953 H ALA 119 H ALA 119 -10.478 0.056 11.646 954 HA ALA 119 HA ALA 119 -12.456 0.728 9.660 955 HB1 ALA 119 HB1 ALA 119 -13.388 2.082 11.499 956 HB2 ALA 119 HB2 ALA 119 -12.872 0.495 12.111 957 HB3 ALA 119 HB3 ALA 119 -11.864 1.919 12.402 958 H ARG 120 H ARG 120 -10.289 1.294 8.421 959 HA ARG 120 HA ARG 120 -10.219 2.574 6.569 960 HB2 ARG 120 HB1 ARG 120 -11.195 4.940 8.179 961 HB3 ARG 120 HB2 ARG 120 -10.756 4.974 6.445 962 HG2 ARG 120 HG1 ARG 120 -12.776 4.307 5.882 963 HG3 ARG 120 HG2 ARG 120 -12.598 2.813 6.813 964 HD2 ARG 120 HD1 ARG 120 -14.636 4.004 7.394 965 HD3 ARG 120 HD2 ARG 120 -13.575 3.881 8.784 966 HE ARG 120 HE ARG 120 -14.270 6.310 7.220 967 HH11 ARG 120 HH12 ARG 120 -12.379 5.103 9.965 968 HH12 ARG 120 HH11 ARG 120 -12.410 6.645 10.752 969 HH21 ARG 120 HH22 ARG 120 -14.159 8.259 8.285 970 HH22 ARG 120 HH21 ARG 120 -13.312 8.361 9.800 Start of MODEL 21 1 H1 GLY 1 1H GLY 1 4.582 2.564 16.343 2 H2 GLY 1 2H GLY 1 6.146 2.901 16.052 3 H3 GLY 1 3H GLY 1 4.999 4.050 15.769 4 HA2 GLY 1 HA3 GLY 1 6.194 4.571 17.809 5 HA3 GLY 1 HA2 GLY 1 4.498 4.163 18.151 6 H SER 2 H SER 2 4.235 2.618 19.758 7 HA SER 2 HA SER 2 5.704 0.064 19.382 8 HB2 SER 2 HB1 SER 2 4.222 0.378 21.389 9 HB3 SER 2 HB2 SER 2 2.838 0.542 20.294 10 HG SER 2 HG SER 2 2.913 -1.586 19.931 11 H PHE 3 H PHE 3 5.100 -1.340 17.714 12 HA PHE 3 HA PHE 3 4.413 -2.054 15.720 13 HB2 PHE 3 HB1 PHE 3 2.105 -0.106 15.849 14 HB3 PHE 3 HB2 PHE 3 2.219 -1.611 14.912 15 HD1 PHE 3 HD2 PHE 3 2.337 -3.828 16.170 16 HD2 PHE 3 HD1 PHE 3 1.293 -0.113 18.085 17 HE1 PHE 3 HE2 PHE 3 1.348 -5.084 18.072 18 HE2 PHE 3 HE1 PHE 3 0.293 -1.369 19.987 19 HZ PHE 3 HZ PHE 3 0.332 -3.858 19.985 20 H THR 4 H THR 4 4.999 -1.767 13.679 21 HA THR 4 HA THR 4 5.269 0.935 12.452 22 HB THR 4 HB THR 4 7.508 0.657 11.842 23 HG1 THR 4 HG1 THR 4 7.151 -2.004 12.680 24 HG21 THR 4 HG21 THR 4 7.278 1.511 14.133 25 HG22 THR 4 HG22 THR 4 8.794 0.630 13.872 26 HG23 THR 4 HG23 THR 4 7.478 -0.148 14.764 27 H GLU 5 H GLU 5 3.618 -1.551 12.089 28 HA GLU 5 HA GLU 5 4.558 -2.633 9.507 29 HB2 GLU 5 HB1 GLU 5 2.576 -3.709 11.535 30 HB3 GLU 5 HB2 GLU 5 3.129 -4.546 10.054 31 HG2 GLU 5 HG1 GLU 5 4.292 -5.501 11.892 32 HG3 GLU 5 HG2 GLU 5 5.440 -4.546 10.937 33 H GLY 6 H GLY 6 2.291 -3.748 8.520 34 HA2 GLY 6 HA3 GLY 6 0.945 -1.367 7.406 35 HA3 GLY 6 HA2 GLY 6 0.939 -3.010 6.725 36 H TRP 7 H TRP 7 -1.320 -1.685 6.741 37 HA TRP 7 HA TRP 7 -2.926 -3.618 8.122 38 HB2 TRP 7 HB1 TRP 7 -4.439 -2.222 9.261 39 HB3 TRP 7 HB2 TRP 7 -2.820 -1.846 9.845 40 HD1 TRP 7 HD TRP 7 -5.876 -0.355 8.410 41 HE1 TRP 7 HE1 TRP 7 -5.684 2.191 8.462 42 HE3 TRP 7 3HE TRP 7 -0.813 0.077 9.120 43 HZ2 TRP 7 HZ2 TRP 7 -3.600 4.165 8.625 44 HZ3 TRP 7 HZ3 TRP 7 0.256 2.297 9.118 45 HH2 TRP 7 HH TRP 7 -1.115 4.360 8.889 46 H VAL 8 H VAL 8 -4.904 -3.984 7.110 47 HA VAL 8 HA VAL 8 -5.169 -2.775 4.375 48 HB VAL 8 HB VAL 8 -6.374 -5.276 5.588 49 HG11 VAL 8 HG11 VAL 8 -6.959 -4.007 2.870 50 HG12 VAL 8 HG12 VAL 8 -7.433 -5.651 3.352 51 HG13 VAL 8 HG13 VAL 8 -8.127 -4.261 4.189 52 HG21 VAL 8 HG21 VAL 8 -5.149 -6.342 3.669 53 HG22 VAL 8 HG22 VAL 8 -4.467 -4.760 3.255 54 HG23 VAL 8 HG23 VAL 8 -4.070 -5.530 4.809 55 H ARG 9 H ARG 9 -6.829 -1.449 3.869 56 HA ARG 9 HA ARG 9 -8.255 -0.321 6.201 57 HB2 ARG 9 HB1 ARG 9 -6.793 0.889 4.426 58 HB3 ARG 9 HB2 ARG 9 -8.212 0.830 3.392 59 HG2 ARG 9 HG1 ARG 9 -8.179 2.021 6.196 60 HG3 ARG 9 HG2 ARG 9 -7.870 2.943 4.700 61 HD2 ARG 9 HD1 ARG 9 -10.170 2.238 3.910 62 HD3 ARG 9 HD2 ARG 9 -10.448 1.577 5.538 63 HE ARG 9 HE ARG 9 -10.775 3.688 6.340 64 HH11 ARG 9 HH12 ARG 9 -9.234 4.103 3.192 65 HH12 ARG 9 HH11 ARG 9 -9.377 5.843 3.256 66 HH21 ARG 9 HH22 ARG 9 -11.199 5.782 6.231 67 HH22 ARG 9 HH21 ARG 9 -10.475 6.824 5.029 68 H PHE 10 H PHE 10 -10.220 -1.072 6.643 69 HA PHE 10 HA PHE 10 -11.855 -2.651 4.965 70 HB2 PHE 10 HB1 PHE 10 -12.020 -2.787 7.343 71 HB3 PHE 10 HB2 PHE 10 -12.347 -1.046 7.482 72 HD1 PHE 10 HD1 PHE 10 -13.787 -4.261 6.282 73 HD2 PHE 10 HD2 PHE 10 -14.536 -0.153 7.299 74 HE1 PHE 10 HE1 PHE 10 -16.223 -4.681 6.155 75 HE2 PHE 10 HE2 PHE 10 -16.966 -0.515 6.957 76 HZ PHE 10 HZ PHE 10 -17.829 -2.799 6.446 77 H SER 11 H SER 11 -13.792 -2.319 3.927 78 HA SER 11 HA SER 11 -15.289 0.101 4.117 79 HB2 SER 11 HB1 SER 11 -13.633 0.778 2.364 80 HB3 SER 11 HB2 SER 11 -14.096 -0.639 1.394 81 HG SER 11 HG SER 11 -15.192 1.130 0.659 82 HA PRO 12 HA PRO 12 -18.295 -3.071 2.806 83 HB2 PRO 12 HB1 PRO 12 -20.528 -1.578 2.410 84 HB3 PRO 12 HB2 PRO 12 -19.866 -1.869 4.047 85 HG2 PRO 12 HG1 PRO 12 -19.414 0.546 2.266 86 HG3 PRO 12 HG2 PRO 12 -19.928 0.531 3.989 87 HD2 PRO 12 HD1 PRO 12 -17.314 0.875 3.248 88 HD3 PRO 12 HD2 PRO 12 -17.762 -0.047 4.714 89 H GLY 13 H GLY 13 -17.065 -0.477 0.882 90 HA2 GLY 13 HA3 GLY 13 -18.272 -1.447 -1.647 91 HA3 GLY 13 HA2 GLY 13 -17.131 -0.098 -1.456 92 HA PRO 14 HA PRO 14 -15.289 -4.567 -1.824 93 HB2 PRO 14 HB1 PRO 14 -15.225 -5.282 -4.482 94 HB3 PRO 14 HB2 PRO 14 -16.615 -5.580 -3.397 95 HG2 PRO 14 HG1 PRO 14 -16.214 -3.259 -5.308 96 HG3 PRO 14 HG2 PRO 14 -17.666 -4.310 -5.131 97 HD2 PRO 14 HD1 PRO 14 -17.535 -1.892 -3.905 98 HD3 PRO 14 HD2 PRO 14 -18.239 -3.303 -3.058 99 H ASN 15 H ASN 15 -14.453 -1.777 -3.964 100 HA ASN 15 HA ASN 15 -11.682 -2.718 -4.117 101 HB2 ASN 15 HB1 ASN 15 -13.011 -0.143 -4.981 102 HB3 ASN 15 HB2 ASN 15 -11.321 -0.591 -5.260 103 HD21 ASN 15 HD21 ASN 15 -13.662 -0.020 -7.161 104 HD22 ASN 15 HD22 ASN 15 -13.646 -1.437 -8.199 105 H ALA 16 H ALA 16 -10.057 -1.885 -3.039 106 HA ALA 16 HA ALA 16 -10.589 -0.335 -0.520 107 HB1 ALA 16 HB1 ALA 16 -10.819 -2.737 -0.095 108 HB2 ALA 16 HB2 ALA 16 -9.203 -3.046 -0.741 109 HB3 ALA 16 HB3 ALA 16 -9.407 -2.094 0.745 110 H ALA 17 H ALA 17 -8.238 -0.317 0.707 111 HA ALA 17 HA ALA 17 -6.064 0.398 -1.141 112 HB1 ALA 17 HB1 ALA 17 -5.731 2.605 -0.089 113 HB2 ALA 17 HB2 ALA 17 -7.314 2.516 -0.892 114 HB3 ALA 17 HB3 ALA 17 -7.202 2.384 0.878 115 H ALA 18 H ALA 18 -3.981 0.263 -0.066 116 HA ALA 18 HA ALA 18 -4.033 -0.710 2.760 117 HB1 ALA 18 HB1 ALA 18 -4.227 -2.677 1.258 118 HB2 ALA 18 HB2 ALA 18 -2.699 -2.199 0.465 119 HB3 ALA 18 HB3 ALA 18 -2.714 -2.667 2.176 120 H TYR 19 H TYR 19 -2.200 -0.712 3.879 121 HA TYR 19 HA TYR 19 0.130 0.862 2.915 122 HB2 TYR 19 HB1 TYR 19 -0.839 0.987 5.765 123 HB3 TYR 19 HB2 TYR 19 0.120 2.162 4.871 124 HD1 TYR 19 HD2 TYR 19 -1.122 3.481 2.966 125 HD2 TYR 19 HD1 TYR 19 -3.150 1.205 6.003 126 HE1 TYR 19 HE2 TYR 19 -3.279 4.638 2.417 127 HE2 TYR 19 HE1 TYR 19 -5.268 2.376 5.496 128 HH TYR 19 HH TYR 19 -6.296 3.914 4.144 129 H LEU 20 H LEU 20 2.136 0.074 3.711 130 HA LEU 20 HA LEU 20 2.449 -1.841 5.756 131 HB2 LEU 20 HB1 LEU 20 3.117 -3.793 4.538 132 HB3 LEU 20 HB2 LEU 20 1.418 -3.420 4.232 133 HG LEU 20 HG LEU 20 2.403 -4.335 2.300 134 HD11 LEU 20 HD11 LEU 20 2.134 -1.380 1.654 135 HD12 LEU 20 HD12 LEU 20 0.753 -2.440 2.005 136 HD13 LEU 20 HD13 LEU 20 1.803 -2.783 0.622 137 HD21 LEU 20 HD21 LEU 20 4.265 -3.465 1.067 138 HD22 LEU 20 HD22 LEU 20 4.781 -3.737 2.741 139 HD23 LEU 20 HD23 LEU 20 4.444 -2.088 2.164 140 H THR 21 H THR 21 4.643 -2.887 5.669 141 HA THR 21 HA THR 21 6.470 -0.561 5.424 142 HB THR 21 HB THR 21 6.197 -2.770 7.485 143 HG1 THR 21 HG1 THR 21 5.847 -0.714 8.633 144 HG21 THR 21 HG21 THR 21 8.403 -0.666 7.155 145 HG22 THR 21 HG22 THR 21 8.599 -2.422 7.294 146 HG23 THR 21 HG23 THR 21 8.024 -1.499 8.685 147 H LEU 22 H LEU 22 8.202 -0.626 4.372 148 HA LEU 22 HA LEU 22 9.449 -3.195 3.502 149 HB2 LEU 22 HB1 LEU 22 9.391 -0.389 2.345 150 HB3 LEU 22 HB2 LEU 22 10.737 -1.501 1.993 151 HG LEU 22 HG LEU 22 9.080 -1.368 0.202 152 HD11 LEU 22 HD11 LEU 22 9.041 -3.710 -0.238 153 HD12 LEU 22 HD12 LEU 22 9.200 -4.123 1.485 154 HD13 LEU 22 HD13 LEU 22 10.548 -3.345 0.629 155 HD21 LEU 22 HD21 LEU 22 7.152 -2.801 2.073 156 HD22 LEU 22 HD22 LEU 22 6.877 -2.418 0.385 157 HD23 LEU 22 HD23 LEU 22 7.005 -1.101 1.565 158 H GLU 23 H GLU 23 11.147 -3.695 4.694 159 HA GLU 23 HA GLU 23 13.105 -1.566 5.298 160 HB2 GLU 23 HB1 GLU 23 12.013 -2.250 7.414 161 HB3 GLU 23 HB2 GLU 23 12.471 -3.928 7.122 162 HG2 GLU 23 HG1 GLU 23 14.712 -3.524 7.628 163 HG3 GLU 23 HG2 GLU 23 14.637 -1.822 7.107 164 H ASN 24 H ASN 24 15.030 -2.051 4.428 165 HA ASN 24 HA ASN 24 15.240 -4.499 2.754 166 HB2 ASN 24 HB1 ASN 24 15.588 -2.165 1.911 167 HB3 ASN 24 HB2 ASN 24 17.045 -2.064 2.911 168 HD21 ASN 24 HD21 ASN 24 17.309 -1.719 0.210 169 HD22 ASN 24 HD22 ASN 24 18.187 -3.117 -0.433 170 HA PRO 25 HA PRO 25 18.103 -5.915 6.048 171 HB2 PRO 25 HB1 PRO 25 17.904 -8.609 5.656 172 HB3 PRO 25 HB2 PRO 25 16.591 -7.684 6.438 173 HG2 PRO 25 HG1 PRO 25 16.818 -8.431 3.498 174 HG3 PRO 25 HG2 PRO 25 15.431 -8.748 4.598 175 HD2 PRO 25 HD1 PRO 25 15.466 -6.566 2.983 176 HD3 PRO 25 HD2 PRO 25 14.855 -6.466 4.666 177 H GLY 26 H GLY 26 18.315 -6.045 2.583 178 HA2 GLY 26 HA3 GLY 26 20.800 -7.585 2.478 179 HA3 GLY 26 HA2 GLY 26 19.906 -6.854 1.125 180 H ASP 27 H ASP 27 22.449 -6.523 0.982 181 HA ASP 27 HA ASP 27 23.392 -4.005 2.187 182 HB2 ASP 27 HB1 ASP 27 24.603 -6.446 0.832 183 HB3 ASP 27 HB2 ASP 27 25.525 -5.028 1.332 184 H LEU 28 H LEU 28 21.777 -4.868 -0.437 185 HA LEU 28 HA LEU 28 22.776 -2.705 -2.170 186 HB2 LEU 28 HB1 LEU 28 22.315 -4.096 -4.139 187 HB3 LEU 28 HB2 LEU 28 23.574 -4.760 -3.041 188 HG LEU 28 HG LEU 28 21.753 -6.326 -2.162 189 HD11 LEU 28 HD11 LEU 28 19.709 -5.352 -3.095 190 HD12 LEU 28 HD12 LEU 28 19.988 -6.919 -3.841 191 HD13 LEU 28 HD13 LEU 28 20.375 -5.436 -4.739 192 HD21 LEU 28 HD21 LEU 28 22.150 -7.921 -4.002 193 HD22 LEU 28 HD22 LEU 28 23.623 -7.031 -3.600 194 HD23 LEU 28 HD23 LEU 28 22.694 -6.590 -5.050 195 HA PRO 29 HA PRO 29 18.764 -1.243 -1.762 196 HB2 PRO 29 HB1 PRO 29 18.152 0.115 -4.042 197 HB3 PRO 29 HB2 PRO 29 19.467 0.607 -2.933 198 HG2 PRO 29 HG1 PRO 29 19.685 -1.003 -5.485 199 HG3 PRO 29 HG2 PRO 29 20.696 0.390 -4.961 200 HD2 PRO 29 HD1 PRO 29 21.456 -2.238 -4.636 201 HD3 PRO 29 HD2 PRO 29 21.936 -0.978 -3.479 202 H LEU 30 H LEU 30 16.544 -1.268 -2.304 203 HA LEU 30 HA LEU 30 15.621 -3.450 -4.118 204 HB2 LEU 30 HB1 LEU 30 14.478 -2.454 -1.478 205 HB3 LEU 30 HB2 LEU 30 13.506 -3.392 -2.621 206 HG LEU 30 HG LEU 30 16.139 -4.356 -1.581 207 HD11 LEU 30 HD11 LEU 30 14.537 -3.898 0.344 208 HD12 LEU 30 HD12 LEU 30 14.917 -5.622 0.174 209 HD13 LEU 30 HD13 LEU 30 13.371 -4.990 -0.428 210 HD21 LEU 30 HD21 LEU 30 15.291 -6.599 -2.042 211 HD22 LEU 30 HD22 LEU 30 15.348 -5.607 -3.514 212 HD23 LEU 30 HD23 LEU 30 13.794 -5.909 -2.694 213 H ARG 31 H ARG 31 13.909 -3.098 -5.208 214 HA ARG 31 HA ARG 31 12.720 -0.355 -5.493 215 HB2 ARG 31 HB1 ARG 31 14.383 -0.707 -7.309 216 HB3 ARG 31 HB2 ARG 31 13.478 -2.162 -7.807 217 HG2 ARG 31 HG1 ARG 31 12.131 -0.935 -9.070 218 HG3 ARG 31 HG2 ARG 31 11.643 0.059 -7.685 219 HD2 ARG 31 HD1 ARG 31 12.460 1.461 -9.459 220 HD3 ARG 31 HD2 ARG 31 13.533 1.581 -8.080 221 HE ARG 31 HE ARG 31 14.031 0.211 -10.688 222 HH11 ARG 31 HH12 ARG 31 15.475 1.307 -7.603 223 HH12 ARG 31 HH11 ARG 31 17.035 1.440 -8.250 224 HH21 ARG 31 HH22 ARG 31 16.141 0.318 -11.472 225 HH22 ARG 31 HH21 ARG 31 17.423 0.837 -10.409 226 H LEU 32 H LEU 32 10.648 -0.612 -4.949 227 HA LEU 32 HA LEU 32 9.222 -3.225 -5.256 228 HB2 LEU 32 HB1 LEU 32 9.330 -2.220 -3.030 229 HB3 LEU 32 HB2 LEU 32 8.695 -0.686 -3.659 230 HG LEU 32 HG LEU 32 6.572 -2.085 -4.302 231 HD11 LEU 32 HD11 LEU 32 6.201 -4.086 -2.916 232 HD12 LEU 32 HD12 LEU 32 7.853 -3.964 -2.269 233 HD13 LEU 32 HD13 LEU 32 7.593 -4.330 -3.981 234 HD21 LEU 32 HD21 LEU 32 7.456 -1.369 -1.498 235 HD22 LEU 32 HD22 LEU 32 5.805 -1.923 -1.847 236 HD23 LEU 32 HD23 LEU 32 6.432 -0.445 -2.606 237 H VAL 33 H VAL 33 7.987 -3.392 -7.030 238 HA VAL 33 HA VAL 33 7.178 -0.875 -8.474 239 HB VAL 33 HB VAL 33 7.431 -2.105 -10.558 240 HG11 VAL 33 HG11 VAL 33 9.484 -1.028 -9.613 241 HG12 VAL 33 HG12 VAL 33 9.934 -2.573 -8.872 242 HG13 VAL 33 HG13 VAL 33 9.843 -2.422 -10.634 243 HG21 VAL 33 HG21 VAL 33 8.368 -4.520 -8.940 244 HG22 VAL 33 HG22 VAL 33 6.831 -4.415 -9.830 245 HG23 VAL 33 HG23 VAL 33 8.365 -4.370 -10.702 246 H GLY 34 H GLY 34 6.009 -3.731 -6.935 247 HA2 GLY 34 HA3 GLY 34 3.243 -3.261 -7.708 248 HA3 GLY 34 HA2 GLY 34 3.938 -4.792 -8.290 249 H ALA 35 H ALA 35 1.984 -5.364 -6.903 250 HA ALA 35 HA ALA 35 2.997 -6.572 -4.439 251 HB1 ALA 35 HB1 ALA 35 2.130 -4.493 -3.543 252 HB2 ALA 35 HB2 ALA 35 0.607 -4.666 -4.442 253 HB3 ALA 35 HB3 ALA 35 1.002 -5.776 -3.111 254 H ARG 36 H ARG 36 1.086 -7.958 -3.515 255 HA ARG 36 HA ARG 36 -1.139 -8.465 -5.272 256 HB2 ARG 36 HB1 ARG 36 -0.010 -11.044 -4.297 257 HB3 ARG 36 HB2 ARG 36 -1.070 -10.705 -5.681 258 HG2 ARG 36 HG1 ARG 36 0.910 -9.851 -6.924 259 HG3 ARG 36 HG2 ARG 36 1.953 -10.308 -5.572 260 HD2 ARG 36 HD1 ARG 36 0.194 -12.197 -7.183 261 HD3 ARG 36 HD2 ARG 36 1.952 -11.990 -7.377 262 HE ARG 36 HE ARG 36 1.773 -12.706 -4.747 263 HH11 ARG 36 HH12 ARG 36 0.276 -14.202 -7.583 264 HH12 ARG 36 HH11 ARG 36 0.389 -15.796 -6.893 265 HH21 ARG 36 HH22 ARG 36 1.855 -14.665 -3.937 266 HH22 ARG 36 HH21 ARG 36 1.321 -16.092 -4.826 267 H THR 37 H THR 37 -2.621 -10.197 -3.995 268 HA THR 37 HA THR 37 -2.340 -10.560 -1.186 269 HB THR 37 HB THR 37 -2.838 -8.295 -0.864 270 HG1 THR 37 HG1 THR 37 -3.957 -9.344 0.555 271 HG21 THR 37 HG21 THR 37 -5.301 -8.631 -2.615 272 HG22 THR 37 HG22 THR 37 -3.866 -7.670 -3.063 273 HG23 THR 37 HG23 THR 37 -4.872 -7.186 -1.692 274 HA PRO 38 HA PRO 38 -5.171 -13.642 -2.653 275 HB2 PRO 38 HB1 PRO 38 -6.193 -14.721 -0.368 276 HB3 PRO 38 HB2 PRO 38 -4.479 -14.884 -0.871 277 HG2 PRO 38 HG1 PRO 38 -5.634 -12.913 1.099 278 HG3 PRO 38 HG2 PRO 38 -4.200 -13.981 1.309 279 HD2 PRO 38 HD1 PRO 38 -3.995 -11.370 0.518 280 HD3 PRO 38 HD2 PRO 38 -2.881 -12.599 -0.118 281 H VAL 39 H VAL 39 -6.334 -10.915 -0.956 282 HA VAL 39 HA VAL 39 -9.118 -11.371 -2.015 283 HB VAL 39 HB VAL 39 -9.879 -9.657 -0.374 284 HG11 VAL 39 HG11 VAL 39 -8.565 -12.113 0.858 285 HG12 VAL 39 HG12 VAL 39 -9.917 -11.182 1.528 286 HG13 VAL 39 HG13 VAL 39 -10.124 -12.078 0.008 287 HG21 VAL 39 HG21 VAL 39 -7.691 -8.528 0.139 288 HG22 VAL 39 HG22 VAL 39 -8.492 -9.129 1.597 289 HG23 VAL 39 HG23 VAL 39 -7.126 -10.022 0.907 290 H ALA 40 H ALA 40 -7.561 -10.852 -3.924 291 HA ALA 40 HA ALA 40 -8.836 -8.513 -5.002 292 HB1 ALA 40 HB1 ALA 40 -5.785 -8.505 -4.877 293 HB2 ALA 40 HB2 ALA 40 -6.796 -7.335 -5.739 294 HB3 ALA 40 HB3 ALA 40 -6.857 -7.394 -3.980 295 H GLU 41 H GLU 41 -8.315 -8.336 -7.321 296 HA GLU 41 HA GLU 41 -6.951 -10.727 -8.525 297 HB2 GLU 41 HB1 GLU 41 -9.519 -10.252 -9.015 298 HB3 GLU 41 HB2 GLU 41 -8.874 -9.040 -10.132 299 HG2 GLU 41 HG1 GLU 41 -7.475 -10.839 -11.195 300 HG3 GLU 41 HG2 GLU 41 -8.207 -12.025 -10.090 301 H ARG 42 H ARG 42 -7.114 -7.269 -8.175 302 HA ARG 42 HA ARG 42 -4.650 -6.912 -9.715 303 HB2 ARG 42 HB1 ARG 42 -7.017 -5.042 -10.137 304 HB3 ARG 42 HB2 ARG 42 -5.433 -4.993 -10.945 305 HG2 ARG 42 HG1 ARG 42 -5.952 -7.279 -11.877 306 HG3 ARG 42 HG2 ARG 42 -7.593 -7.101 -11.202 307 HD2 ARG 42 HD1 ARG 42 -7.627 -4.929 -12.673 308 HD3 ARG 42 HD2 ARG 42 -6.338 -5.736 -13.571 309 HE ARG 42 HE ARG 42 -8.955 -6.147 -14.088 310 HH11 ARG 42 HH12 ARG 42 -6.678 -8.645 -12.813 311 HH12 ARG 42 HH11 ARG 42 -7.895 -9.864 -13.156 312 HH21 ARG 42 HH22 ARG 42 -10.299 -7.951 -14.458 313 HH22 ARG 42 HH21 ARG 42 -9.701 -9.512 -13.924 314 H VAL 43 H VAL 43 -3.533 -5.086 -9.053 315 HA VAL 43 HA VAL 43 -4.426 -3.555 -6.726 316 HB VAL 43 HB VAL 43 -3.277 -5.569 -5.804 317 HG11 VAL 43 HG11 VAL 43 -0.710 -4.495 -7.058 318 HG12 VAL 43 HG12 VAL 43 -0.912 -5.875 -5.972 319 HG13 VAL 43 HG13 VAL 43 -1.595 -5.942 -7.601 320 HG21 VAL 43 HG21 VAL 43 -3.290 -3.474 -4.524 321 HG22 VAL 43 HG22 VAL 43 -1.832 -4.422 -4.219 322 HG23 VAL 43 HG23 VAL 43 -1.745 -2.995 -5.269 323 H GLU 44 H GLU 44 -3.288 -1.592 -6.561 324 HA GLU 44 HA GLU 44 -1.829 -0.696 -9.023 325 HB2 GLU 44 HB1 GLU 44 -4.430 -0.415 -8.809 326 HB3 GLU 44 HB2 GLU 44 -4.043 0.793 -7.559 327 HG2 GLU 44 HG1 GLU 44 -4.462 1.943 -9.595 328 HG3 GLU 44 HG2 GLU 44 -2.734 2.064 -9.251 329 H LEU 45 H LEU 45 -0.216 0.955 -8.523 330 HA LEU 45 HA LEU 45 0.172 1.453 -5.589 331 HB2 LEU 45 HB1 LEU 45 1.994 0.295 -6.723 332 HB3 LEU 45 HB2 LEU 45 2.102 1.608 -7.920 333 HG LEU 45 HG LEU 45 2.657 3.175 -6.002 334 HD11 LEU 45 HD11 LEU 45 1.803 1.748 -4.104 335 HD12 LEU 45 HD12 LEU 45 3.478 2.295 -3.906 336 HD13 LEU 45 HD13 LEU 45 3.162 0.637 -4.429 337 HD21 LEU 45 HD21 LEU 45 4.512 0.795 -6.412 338 HD22 LEU 45 HD22 LEU 45 4.996 2.418 -5.854 339 HD23 LEU 45 HD23 LEU 45 4.375 2.191 -7.502 340 H HIS 46 H HIS 46 -0.387 3.371 -4.792 341 HA HIS 46 HA HIS 46 -0.519 5.759 -6.580 342 HB2 HIS 46 HB1 HIS 46 -2.336 4.828 -4.320 343 HB3 HIS 46 HB2 HIS 46 -2.468 6.418 -5.093 344 HD2 HIS 46 HD2 HIS 46 -2.083 4.192 -7.969 345 HE1 HIS 46 HE1 HIS 46 -6.212 3.928 -7.067 346 HE2 HIS 46 HE2 HIS 46 -4.423 3.531 -8.869 347 H GLU 47 H GLU 47 -0.437 7.735 -5.726 348 HA GLU 47 HA GLU 47 0.676 8.218 -3.024 349 HB2 GLU 47 HB1 GLU 47 1.296 10.390 -3.874 350 HB3 GLU 47 HB2 GLU 47 1.990 9.053 -4.857 351 HG2 GLU 47 HG1 GLU 47 0.531 9.484 -6.655 352 HG3 GLU 47 HG2 GLU 47 -0.404 10.663 -5.724 353 H THR 48 H THR 48 -0.493 9.525 -1.590 354 HA THR 48 HA THR 48 -3.000 10.853 -2.579 355 HB THR 48 HB THR 48 -2.106 10.157 0.245 356 HG1 THR 48 HG1 THR 48 -3.834 8.813 0.258 357 HG21 THR 48 HG21 THR 48 -4.420 10.933 0.892 358 HG22 THR 48 HG22 THR 48 -4.614 11.577 -0.758 359 HG23 THR 48 HG23 THR 48 -3.363 12.225 0.330 360 H PHE 49 H PHE 49 -2.968 13.160 -2.203 361 HA PHE 49 HA PHE 49 -0.730 14.451 -0.832 362 HB2 PHE 49 HB1 PHE 49 0.073 15.661 -2.809 363 HB3 PHE 49 HB2 PHE 49 0.311 13.916 -2.970 364 HD1 PHE 49 HD1 PHE 49 -1.589 16.854 -4.202 365 HD2 PHE 49 HD2 PHE 49 -0.931 12.621 -4.635 366 HE1 PHE 49 HE1 PHE 49 -2.908 16.867 -6.285 367 HE2 PHE 49 HE2 PHE 49 -2.212 12.634 -6.713 368 HZ PHE 49 HZ PHE 49 -3.217 14.750 -7.584 369 H MET 50 H MET 50 -0.855 16.960 -1.523 370 HA MET 50 HA MET 50 -3.681 17.804 -0.988 371 HB2 MET 50 HB1 MET 50 -1.077 18.571 0.176 372 HB3 MET 50 HB2 MET 50 -2.131 19.950 -0.215 373 HG2 MET 50 HG1 MET 50 -3.009 17.547 1.408 374 HG3 MET 50 HG2 MET 50 -2.425 19.073 2.103 375 HE1 MET 50 HE1 MET 50 -6.308 18.948 2.840 376 HE2 MET 50 HE2 MET 50 -5.090 17.654 2.863 377 HE3 MET 50 HE3 MET 50 -4.717 19.242 3.573 378 H ARG 51 H ARG 51 -4.654 19.374 -2.019 379 HA ARG 51 HA ARG 51 -3.298 21.002 -4.118 380 HB2 ARG 51 HB1 ARG 51 -5.354 18.892 -4.420 381 HB3 ARG 51 HB2 ARG 51 -5.821 20.420 -5.181 382 HG2 ARG 51 HG1 ARG 51 -3.053 19.473 -5.745 383 HG3 ARG 51 HG2 ARG 51 -4.402 18.496 -6.414 384 HD2 ARG 51 HD1 ARG 51 -3.542 20.175 -8.010 385 HD3 ARG 51 HD2 ARG 51 -5.275 20.335 -7.632 386 HE ARG 51 HE ARG 51 -4.889 22.446 -6.860 387 HH11 ARG 51 HH12 ARG 51 -1.690 20.896 -6.853 388 HH12 ARG 51 HH11 ARG 51 -0.892 22.415 -6.566 389 HH21 ARG 51 HH22 ARG 51 -3.889 24.241 -6.497 390 HH22 ARG 51 HH21 ARG 51 -2.136 24.359 -6.423 391 H GLU 52 H GLU 52 -4.046 23.139 -4.262 392 HA GLU 52 HA GLU 52 -6.611 23.836 -3.031 393 HB2 GLU 52 HB1 GLU 52 -4.407 25.136 -2.749 394 HB3 GLU 52 HB2 GLU 52 -4.559 25.550 -4.473 395 HG2 GLU 52 HG1 GLU 52 -5.566 27.336 -3.373 396 HG3 GLU 52 HG2 GLU 52 -6.933 26.372 -3.897 397 H VAL 53 H VAL 53 -8.390 23.950 -4.450 398 HA VAL 53 HA VAL 53 -7.915 24.709 -7.294 399 HB VAL 53 HB VAL 53 -9.862 22.477 -6.548 400 HG11 VAL 53 HG11 VAL 53 -9.967 22.149 -9.010 401 HG12 VAL 53 HG12 VAL 53 -10.447 23.793 -8.582 402 HG13 VAL 53 HG13 VAL 53 -8.831 23.493 -9.243 403 HG21 VAL 53 HG21 VAL 53 -8.341 20.908 -7.737 404 HG22 VAL 53 HG22 VAL 53 -7.116 22.188 -7.850 405 HG23 VAL 53 HG23 VAL 53 -7.608 21.543 -6.267 406 H GLU 54 H GLU 54 -9.402 26.228 -7.946 407 HA GLU 54 HA GLU 54 -10.866 27.947 -7.756 408 HB2 GLU 54 HB1 GLU 54 -12.554 26.258 -5.950 409 HB3 GLU 54 HB2 GLU 54 -13.073 27.588 -6.998 410 HG2 GLU 54 HG1 GLU 54 -12.877 26.102 -8.943 411 HG3 GLU 54 HG2 GLU 54 -12.373 24.778 -7.864 412 H GLY 55 H GLY 55 -8.853 27.620 -5.451 413 HA2 GLY 55 HA3 GLY 55 -8.378 28.734 -3.452 414 HA3 GLY 55 HA2 GLY 55 -9.922 29.603 -3.595 415 H LYS 56 H LYS 56 -9.764 26.103 -3.681 416 HA LYS 56 HA LYS 56 -10.801 25.853 -0.923 417 HB2 LYS 56 HB1 LYS 56 -11.539 23.848 -3.000 418 HB3 LYS 56 HB2 LYS 56 -12.303 24.163 -1.443 419 HG2 LYS 56 HG1 LYS 56 -12.478 25.833 -3.961 420 HG3 LYS 56 HG2 LYS 56 -13.729 24.755 -3.333 421 HD2 LYS 56 HD1 LYS 56 -13.904 26.303 -1.337 422 HD3 LYS 56 HD2 LYS 56 -12.800 27.412 -2.176 423 HE2 LYS 56 HE1 LYS 56 -15.559 26.508 -3.078 424 HE3 LYS 56 HE2 LYS 56 -15.066 28.138 -2.577 425 HZ1 LYS 56 HZ1 LYS 56 -14.382 26.694 -5.073 426 HZ2 LYS 56 HZ2 LYS 56 -13.535 28.031 -4.611 427 HZ3 LYS 56 HZ3 LYS 56 -15.157 28.087 -4.947 428 H LYS 57 H LYS 57 -9.346 24.770 0.226 429 HA LYS 57 HA LYS 57 -7.244 23.105 -0.804 430 HB2 LYS 57 HB1 LYS 57 -6.958 22.611 1.670 431 HB3 LYS 57 HB2 LYS 57 -6.658 24.250 1.101 432 HG2 LYS 57 HG1 LYS 57 -9.284 23.492 2.348 433 HG3 LYS 57 HG2 LYS 57 -7.851 23.851 3.350 434 HD2 LYS 57 HD1 LYS 57 -9.234 25.781 1.463 435 HD3 LYS 57 HD2 LYS 57 -9.345 25.724 3.258 436 HE2 LYS 57 HE1 LYS 57 -7.873 27.443 2.979 437 HE3 LYS 57 HE2 LYS 57 -6.769 26.081 3.186 438 HZ1 LYS 57 HZ1 LYS 57 -6.507 26.078 0.711 439 HZ2 LYS 57 HZ2 LYS 57 -6.148 27.552 1.311 440 HZ3 LYS 57 HZ3 LYS 57 -7.545 27.253 0.528 441 H VAL 58 H VAL 58 -7.412 21.080 -1.406 442 HA VAL 58 HA VAL 58 -9.363 19.153 -0.309 443 HB VAL 58 HB VAL 58 -9.766 18.475 -2.669 444 HG11 VAL 58 HG11 VAL 58 -11.432 19.822 -1.406 445 HG12 VAL 58 HG12 VAL 58 -10.730 21.304 -2.092 446 HG13 VAL 58 HG13 VAL 58 -11.505 20.114 -3.151 447 HG21 VAL 58 HG21 VAL 58 -7.878 19.559 -3.826 448 HG22 VAL 58 HG22 VAL 58 -9.428 20.005 -4.546 449 HG23 VAL 58 HG23 VAL 58 -8.588 21.156 -3.496 450 H MET 59 H MET 59 -8.737 16.904 -0.863 451 HA MET 59 HA MET 59 -5.793 16.621 -1.351 452 HB2 MET 59 HB1 MET 59 -7.756 14.702 -0.087 453 HB3 MET 59 HB2 MET 59 -6.071 14.296 -0.536 454 HG2 MET 59 HG1 MET 59 -5.363 16.332 0.819 455 HG3 MET 59 HG2 MET 59 -7.003 16.373 1.469 456 HE1 MET 59 HE1 MET 59 -3.554 13.542 2.408 457 HE2 MET 59 HE2 MET 59 -3.815 14.428 0.891 458 HE3 MET 59 HE3 MET 59 -3.483 15.313 2.400 459 H GLY 60 H GLY 60 -4.960 15.238 -2.822 460 HA2 GLY 60 HA3 GLY 60 -6.754 14.305 -5.014 461 HA3 GLY 60 HA2 GLY 60 -5.192 15.088 -5.343 462 H MET 61 H MET 61 -5.646 12.570 -6.359 463 HA MET 61 HA MET 61 -3.584 10.968 -5.040 464 HB2 MET 61 HB1 MET 61 -5.581 10.215 -3.916 465 HB3 MET 61 HB2 MET 61 -6.481 10.144 -5.441 466 HG2 MET 61 HG1 MET 61 -4.878 8.310 -6.140 467 HG3 MET 61 HG2 MET 61 -4.295 8.308 -4.475 468 HE1 MET 61 HE1 MET 61 -7.985 8.979 -3.818 469 HE2 MET 61 HE2 MET 61 -8.031 7.497 -2.833 470 HE3 MET 61 HE3 MET 61 -6.674 8.635 -2.665 471 H ARG 62 H ARG 62 -2.494 9.685 -6.410 472 HA ARG 62 HA ARG 62 -3.270 9.490 -9.288 473 HB2 ARG 62 HB1 ARG 62 -0.735 10.720 -8.156 474 HB3 ARG 62 HB2 ARG 62 -0.778 10.002 -9.783 475 HG2 ARG 62 HG1 ARG 62 -2.675 11.646 -10.282 476 HG3 ARG 62 HG2 ARG 62 -2.190 12.492 -8.809 477 HD2 ARG 62 HD1 ARG 62 -0.499 11.954 -11.278 478 HD3 ARG 62 HD2 ARG 62 -1.028 13.529 -10.654 479 HE ARG 62 HE ARG 62 0.430 12.694 -8.559 480 HH11 ARG 62 HH12 ARG 62 1.435 12.324 -11.943 481 HH12 ARG 62 HH11 ARG 62 3.099 12.137 -11.457 482 HH21 ARG 62 HH22 ARG 62 2.441 12.406 -8.055 483 HH22 ARG 62 HH21 ARG 62 3.680 12.159 -9.237 484 HA PRO 63 HA PRO 63 -0.878 5.681 -8.613 485 HB2 PRO 63 HB1 PRO 63 -0.404 4.785 -11.107 486 HB3 PRO 63 HB2 PRO 63 -2.053 4.764 -10.413 487 HG2 PRO 63 HG1 PRO 63 -0.827 6.863 -12.232 488 HG3 PRO 63 HG2 PRO 63 -2.420 6.045 -12.407 489 HD2 PRO 63 HD1 PRO 63 -2.109 8.528 -11.225 490 HD3 PRO 63 HD2 PRO 63 -3.376 7.371 -10.717 491 H VAL 64 H VAL 64 1.298 4.943 -8.837 492 HA VAL 64 HA VAL 64 3.281 6.755 -10.088 493 HB VAL 64 HB VAL 64 4.765 6.651 -8.107 494 HG11 VAL 64 HG11 VAL 64 3.719 8.396 -6.834 495 HG12 VAL 64 HG12 VAL 64 3.379 8.637 -8.554 496 HG13 VAL 64 HG13 VAL 64 2.118 7.982 -7.475 497 HG21 VAL 64 HG21 VAL 64 2.370 5.527 -6.608 498 HG22 VAL 64 HG22 VAL 64 3.939 4.731 -6.917 499 HG23 VAL 64 HG23 VAL 64 3.859 6.143 -5.868 500 HA PRO 65 HA PRO 65 4.645 2.998 -11.557 501 HB2 PRO 65 HB1 PRO 65 7.140 3.435 -12.454 502 HB3 PRO 65 HB2 PRO 65 5.760 4.436 -13.003 503 HG2 PRO 65 HG1 PRO 65 7.768 5.083 -10.826 504 HG3 PRO 65 HG2 PRO 65 7.243 6.129 -12.194 505 HD2 PRO 65 HD1 PRO 65 6.150 6.280 -9.666 506 HD3 PRO 65 HD2 PRO 65 5.212 6.618 -11.138 507 H PHE 66 H PHE 66 6.561 3.985 -8.796 508 HA PHE 66 HA PHE 66 6.825 1.414 -7.694 509 HB2 PHE 66 HB1 PHE 66 9.186 0.912 -7.940 510 HB3 PHE 66 HB2 PHE 66 8.421 0.916 -9.516 511 HD1 PHE 66 HD1 PHE 66 10.801 2.590 -7.285 512 HD2 PHE 66 HD2 PHE 66 8.924 2.658 -11.139 513 HE1 PHE 66 HE1 PHE 66 12.339 4.391 -7.948 514 HE2 PHE 66 HE2 PHE 66 10.579 4.396 -11.902 515 HZ PHE 66 HZ PHE 66 12.270 5.277 -10.297 516 H LEU 67 H LEU 67 8.318 1.345 -5.850 517 HA LEU 67 HA LEU 67 9.172 3.990 -4.761 518 HB2 LEU 67 HB1 LEU 67 8.589 1.476 -3.152 519 HB3 LEU 67 HB2 LEU 67 8.933 3.087 -2.522 520 HG LEU 67 HG LEU 67 6.383 2.011 -3.771 521 HD11 LEU 67 HD11 LEU 67 5.443 2.750 -1.605 522 HD12 LEU 67 HD12 LEU 67 7.030 3.400 -1.135 523 HD13 LEU 67 HD13 LEU 67 6.818 1.650 -1.352 524 HD21 LEU 67 HD21 LEU 67 6.677 4.306 -4.718 525 HD22 LEU 67 HD22 LEU 67 6.880 4.939 -3.074 526 HD23 LEU 67 HD23 LEU 67 5.342 4.182 -3.591 527 H GLU 68 H GLU 68 11.195 3.922 -3.585 528 HA GLU 68 HA GLU 68 13.034 1.681 -4.328 529 HB2 GLU 68 HB1 GLU 68 13.542 3.825 -5.527 530 HB3 GLU 68 HB2 GLU 68 13.695 4.632 -3.944 531 HG2 GLU 68 HG1 GLU 68 15.897 4.192 -4.575 532 HG3 GLU 68 HG2 GLU 68 15.555 2.917 -3.418 533 H VAL 69 H VAL 69 14.332 0.919 -2.637 534 HA VAL 69 HA VAL 69 14.397 2.536 -0.198 535 HB VAL 69 HB VAL 69 13.849 -0.470 -0.009 536 HG11 VAL 69 HG11 VAL 69 15.071 0.382 1.953 537 HG12 VAL 69 HG12 VAL 69 13.869 1.669 2.168 538 HG13 VAL 69 HG13 VAL 69 13.415 -0.032 2.391 539 HG21 VAL 69 HG21 VAL 69 11.906 1.830 0.389 540 HG22 VAL 69 HG22 VAL 69 11.796 0.528 -0.818 541 HG23 VAL 69 HG23 VAL 69 11.602 0.166 0.894 542 HA PRO 70 HA PRO 70 18.689 1.387 -0.638 543 HB2 PRO 70 HB1 PRO 70 19.795 2.858 1.364 544 HB3 PRO 70 HB2 PRO 70 19.100 3.615 -0.101 545 HG2 PRO 70 HG1 PRO 70 17.759 3.211 2.591 546 HG3 PRO 70 HG2 PRO 70 17.861 4.727 1.626 547 HD2 PRO 70 HD1 PRO 70 15.679 3.084 1.527 548 HD3 PRO 70 HD2 PRO 70 16.266 3.944 0.075 549 HA PRO 71 HA PRO 71 19.379 -1.998 2.116 550 HB2 PRO 71 HB1 PRO 71 22.099 -2.039 2.495 551 HB3 PRO 71 HB2 PRO 71 21.260 -2.523 0.988 552 HG2 PRO 71 HG1 PRO 71 22.544 0.139 1.630 553 HG3 PRO 71 HG2 PRO 71 22.722 -0.849 0.135 554 HD2 PRO 71 HD1 PRO 71 20.989 1.234 0.248 555 HD3 PRO 71 HD2 PRO 71 20.560 -0.273 -0.607 556 H LYS 72 H LYS 72 19.279 -2.487 4.202 557 HA LYS 72 HA LYS 72 19.057 -2.340 6.427 558 HB2 LYS 72 HB1 LYS 72 21.445 -0.537 6.078 559 HB3 LYS 72 HB2 LYS 72 20.703 -0.762 7.682 560 HG2 LYS 72 HG1 LYS 72 22.719 -2.173 7.099 561 HG3 LYS 72 HG2 LYS 72 21.331 -2.978 7.836 562 HD2 LYS 72 HD1 LYS 72 20.708 -3.943 5.690 563 HD3 LYS 72 HD2 LYS 72 21.979 -3.006 4.864 564 HE2 LYS 72 HE1 LYS 72 23.719 -4.218 6.015 565 HE3 LYS 72 HE2 LYS 72 22.553 -5.049 7.054 566 HZ1 LYS 72 HZ1 LYS 72 23.462 -6.181 4.879 567 HZ2 LYS 72 HZ2 LYS 72 22.368 -5.266 4.140 568 HZ3 LYS 72 HZ3 LYS 72 21.843 -6.356 5.231 569 H GLY 73 H GLY 73 18.344 0.190 4.501 570 HA2 GLY 73 HA3 GLY 73 17.086 1.931 6.547 571 HA3 GLY 73 HA2 GLY 73 17.135 2.221 4.793 572 H ARG 74 H ARG 74 14.820 2.664 6.167 573 HA ARG 74 HA ARG 74 13.043 0.607 4.994 574 HB2 ARG 74 HB1 ARG 74 11.471 0.826 6.864 575 HB3 ARG 74 HB2 ARG 74 13.018 0.119 7.349 576 HG2 ARG 74 HG1 ARG 74 13.649 2.063 8.545 577 HG3 ARG 74 HG2 ARG 74 12.431 3.082 7.754 578 HD2 ARG 74 HD1 ARG 74 11.853 2.517 10.100 579 HD3 ARG 74 HD2 ARG 74 10.674 1.996 8.878 580 HE ARG 74 HE ARG 74 12.684 -0.003 9.735 581 HH11 ARG 74 HH12 ARG 74 9.305 1.126 10.179 582 HH12 ARG 74 HH11 ARG 74 8.852 -0.411 10.883 583 HH21 ARG 74 HH22 ARG 74 11.961 -1.942 10.460 584 HH22 ARG 74 HH21 ARG 74 10.308 -2.128 10.998 585 H VAL 75 H VAL 75 10.981 1.221 4.538 586 HA VAL 75 HA VAL 75 10.133 4.049 4.499 587 HB VAL 75 HB VAL 75 10.318 2.380 1.945 588 HG11 VAL 75 HG11 VAL 75 8.175 3.563 1.922 589 HG12 VAL 75 HG12 VAL 75 8.969 5.078 2.411 590 HG13 VAL 75 HG13 VAL 75 9.280 4.366 0.812 591 HG21 VAL 75 HG21 VAL 75 12.442 3.532 2.416 592 HG22 VAL 75 HG22 VAL 75 11.633 4.332 1.071 593 HG23 VAL 75 HG23 VAL 75 11.583 5.063 2.688 594 H GLU 76 H GLU 76 7.880 4.127 4.817 595 HA GLU 76 HA GLU 76 6.355 1.576 4.715 596 HB2 GLU 76 HB1 GLU 76 5.867 3.495 6.926 597 HB3 GLU 76 HB2 GLU 76 5.725 1.735 6.873 598 HG2 GLU 76 HG1 GLU 76 7.845 1.402 7.661 599 HG3 GLU 76 HG2 GLU 76 8.516 2.883 6.958 600 H LEU 77 H LEU 77 4.322 1.840 3.944 601 HA LEU 77 HA LEU 77 3.521 4.418 2.804 602 HB2 LEU 77 HB1 LEU 77 2.399 1.597 2.782 603 HB3 LEU 77 HB2 LEU 77 1.603 2.960 1.977 604 HG LEU 77 HG LEU 77 4.023 3.212 0.820 605 HD11 LEU 77 HD11 LEU 77 5.176 1.328 1.919 606 HD12 LEU 77 HD12 LEU 77 4.935 0.952 0.208 607 HD13 LEU 77 HD13 LEU 77 3.877 0.217 1.413 608 HD21 LEU 77 HD21 LEU 77 1.832 1.258 0.041 609 HD22 LEU 77 HD22 LEU 77 3.174 1.705 -1.037 610 HD23 LEU 77 HD23 LEU 77 2.066 2.942 -0.487 611 H LYS 78 H LYS 78 1.212 5.289 3.125 612 HA LYS 78 HA LYS 78 -0.136 4.728 5.595 613 HB2 LYS 78 HB1 LYS 78 0.215 7.056 6.585 614 HB3 LYS 78 HB2 LYS 78 1.406 5.813 6.891 615 HG2 LYS 78 HG1 LYS 78 1.862 7.753 4.620 616 HG3 LYS 78 HG2 LYS 78 2.003 8.346 6.307 617 HD2 LYS 78 HD1 LYS 78 3.689 6.266 4.919 618 HD3 LYS 78 HD2 LYS 78 4.193 7.831 5.580 619 HE2 LYS 78 HE1 LYS 78 3.668 6.908 7.892 620 HE3 LYS 78 HE2 LYS 78 3.368 5.327 7.116 621 HZ1 LYS 78 HZ1 LYS 78 5.637 5.370 7.945 622 HZ2 LYS 78 HZ2 LYS 78 5.957 6.772 7.164 623 HZ3 LYS 78 HZ3 LYS 78 5.645 5.396 6.317 624 HA PRO 79 HA PRO 79 -3.617 6.449 3.670 625 HB2 PRO 79 HB1 PRO 79 -5.006 7.759 5.691 626 HB3 PRO 79 HB2 PRO 79 -4.978 5.992 5.438 627 HG2 PRO 79 HG1 PRO 79 -3.243 7.625 7.299 628 HG3 PRO 79 HG2 PRO 79 -4.145 6.110 7.654 629 HD2 PRO 79 HD1 PRO 79 -1.520 5.985 7.086 630 HD3 PRO 79 HD2 PRO 79 -2.630 4.822 6.296 631 H GLY 80 H GLY 80 -2.057 9.008 5.703 632 HA2 GLY 80 HA3 GLY 80 -3.138 11.160 4.127 633 HA3 GLY 80 HA2 GLY 80 -1.787 11.249 5.280 634 H GLY 81 H GLY 81 -1.253 8.886 2.852 635 HA2 GLY 81 HA3 GLY 81 -0.053 10.575 0.839 636 HA3 GLY 81 HA2 GLY 81 1.144 9.847 1.935 637 H TYR 82 H TYR 82 2.143 8.320 0.818 638 HA TYR 82 HA TYR 82 0.912 7.062 -1.436 639 HB2 TYR 82 HB1 TYR 82 3.518 6.657 0.008 640 HB3 TYR 82 HB2 TYR 82 3.008 5.606 -1.339 641 HD1 TYR 82 HD1 TYR 82 2.349 9.330 -1.398 642 HD2 TYR 82 HD2 TYR 82 4.758 6.039 -2.742 643 HE1 TYR 82 HE1 TYR 82 3.351 10.768 -3.109 644 HE2 TYR 82 HE2 TYR 82 5.661 7.429 -4.558 645 HH TYR 82 HH TYR 82 4.305 10.627 -5.288 646 H HIS 83 H HIS 83 0.319 5.078 -1.874 647 HA HIS 83 HA HIS 83 -0.093 2.998 0.141 648 HB2 HIS 83 HB1 HIS 83 -2.453 3.195 0.416 649 HB3 HIS 83 HB2 HIS 83 -1.647 4.689 0.926 650 HD1 HIS 83 HD1 HIS 83 -2.036 6.865 -0.764 651 HD2 HIS 83 HD2 HIS 83 -4.165 3.324 -1.610 652 HE1 HIS 83 HE1 HIS 83 -3.627 7.415 -2.659 653 H PHE 84 H PHE 84 -1.251 1.114 -0.708 654 HA PHE 84 HA PHE 84 -1.263 0.948 -3.683 655 HB2 PHE 84 HB1 PHE 84 -1.697 -1.098 -1.484 656 HB3 PHE 84 HB2 PHE 84 -1.929 -1.436 -3.210 657 HD1 PHE 84 HD2 PHE 84 -0.030 -1.510 -4.764 658 HD2 PHE 84 HD1 PHE 84 0.553 -0.762 -0.561 659 HE1 PHE 84 HE2 PHE 84 2.381 -1.990 -5.017 660 HE2 PHE 84 HE1 PHE 84 2.987 -1.175 -0.831 661 HZ PHE 84 HZ PHE 84 3.906 -1.792 -3.033 662 H MET 85 H MET 85 -3.220 0.617 -4.791 663 HA MET 85 HA MET 85 -5.843 0.815 -3.353 664 HB2 MET 85 HB1 MET 85 -5.074 2.187 -5.582 665 HB3 MET 85 HB2 MET 85 -5.875 0.774 -6.298 666 HG2 MET 85 HG1 MET 85 -7.552 2.432 -6.002 667 HG3 MET 85 HG2 MET 85 -7.830 1.195 -4.768 668 HE1 MET 85 HE1 MET 85 -9.252 2.453 -3.050 669 HE2 MET 85 HE2 MET 85 -9.092 4.198 -2.741 670 HE3 MET 85 HE3 MET 85 -9.455 3.613 -4.385 671 H LEU 86 H LEU 86 -7.107 -1.055 -3.369 672 HA LEU 86 HA LEU 86 -6.033 -3.501 -4.765 673 HB2 LEU 86 HB1 LEU 86 -7.489 -3.049 -2.147 674 HB3 LEU 86 HB2 LEU 86 -7.522 -4.632 -2.971 675 HG LEU 86 HG LEU 86 -5.118 -4.858 -2.725 676 HD11 LEU 86 HD11 LEU 86 -4.299 -2.542 -2.716 677 HD12 LEU 86 HD12 LEU 86 -3.823 -3.357 -1.238 678 HD13 LEU 86 HD13 LEU 86 -5.183 -2.206 -1.212 679 HD21 LEU 86 HD21 LEU 86 -5.112 -5.167 -0.269 680 HD22 LEU 86 HD22 LEU 86 -6.668 -5.661 -0.955 681 HD23 LEU 86 HD23 LEU 86 -6.525 -4.102 -0.115 682 H LEU 87 H LEU 87 -7.433 -4.636 -6.105 683 HA LEU 87 HA LEU 87 -10.269 -3.741 -6.220 684 HB2 LEU 87 HB1 LEU 87 -8.412 -4.103 -8.597 685 HB3 LEU 87 HB2 LEU 87 -10.170 -3.795 -8.663 686 HG LEU 87 HG LEU 87 -9.452 -1.618 -7.267 687 HD11 LEU 87 HD11 LEU 87 -7.330 -0.672 -8.130 688 HD12 LEU 87 HD12 LEU 87 -6.985 -2.183 -8.996 689 HD13 LEU 87 HD13 LEU 87 -6.990 -2.148 -7.227 690 HD21 LEU 87 HD21 LEU 87 -9.395 -0.389 -9.413 691 HD22 LEU 87 HD22 LEU 87 -10.670 -1.616 -9.396 692 HD23 LEU 87 HD23 LEU 87 -9.158 -1.918 -10.286 693 H GLY 88 H GLY 88 -11.780 -5.177 -6.685 694 HA2 GLY 88 HA3 GLY 88 -12.834 -7.114 -7.329 695 HA3 GLY 88 HA2 GLY 88 -11.326 -7.581 -8.149 696 H LEU 89 H LEU 89 -12.106 -7.147 -4.672 697 HA LEU 89 HA LEU 89 -10.559 -9.239 -3.781 698 HB2 LEU 89 HB1 LEU 89 -11.965 -9.147 -1.667 699 HB3 LEU 89 HB2 LEU 89 -11.036 -7.728 -2.192 700 HG LEU 89 HG LEU 89 -13.127 -6.701 -3.008 701 HD11 LEU 89 HD11 LEU 89 -14.502 -9.162 -1.895 702 HD12 LEU 89 HD12 LEU 89 -14.572 -8.511 -3.548 703 HD13 LEU 89 HD13 LEU 89 -15.328 -7.625 -2.226 704 HD21 LEU 89 HD21 LEU 89 -12.284 -6.219 -0.748 705 HD22 LEU 89 HD22 LEU 89 -13.187 -7.602 -0.093 706 HD23 LEU 89 HD23 LEU 89 -14.051 -6.203 -0.757 707 H LYS 90 H LYS 90 -10.786 -11.086 -2.774 708 HA LYS 90 HA LYS 90 -12.736 -12.927 -4.105 709 HB2 LYS 90 HB1 LYS 90 -10.074 -13.566 -2.825 710 HB3 LYS 90 HB2 LYS 90 -11.067 -14.635 -3.843 711 HG2 LYS 90 HG1 LYS 90 -9.540 -12.143 -4.699 712 HG3 LYS 90 HG2 LYS 90 -9.239 -13.832 -5.173 713 HD2 LYS 90 HD1 LYS 90 -11.472 -13.862 -6.300 714 HD3 LYS 90 HD2 LYS 90 -11.639 -12.128 -5.900 715 HE2 LYS 90 HE1 LYS 90 -9.679 -11.597 -7.253 716 HE3 LYS 90 HE2 LYS 90 -9.461 -13.305 -7.661 717 HZ1 LYS 90 HZ1 LYS 90 -10.708 -12.076 -9.400 718 HZ2 LYS 90 HZ2 LYS 90 -11.842 -11.651 -8.319 719 HZ3 LYS 90 HZ3 LYS 90 -11.641 -13.231 -8.751 720 H ARG 91 H ARG 91 -12.602 -11.418 -1.251 721 HA ARG 91 HA ARG 91 -14.502 -13.249 0.000 722 HB2 ARG 91 HB1 ARG 91 -12.013 -12.238 1.442 723 HB3 ARG 91 HB2 ARG 91 -13.390 -13.028 2.236 724 HG2 ARG 91 HG1 ARG 91 -11.579 -14.395 0.231 725 HG3 ARG 91 HG2 ARG 91 -11.388 -14.434 2.009 726 HD2 ARG 91 HD1 ARG 91 -13.778 -15.329 2.106 727 HD3 ARG 91 HD2 ARG 91 -13.690 -15.534 0.346 728 HE ARG 91 HE ARG 91 -12.416 -17.417 0.654 729 HH11 ARG 91 HH12 ARG 91 -12.239 -15.579 3.667 730 HH12 ARG 91 HH11 ARG 91 -11.405 -16.838 4.520 731 HH21 ARG 91 HH22 ARG 91 -11.343 -19.042 1.809 732 HH22 ARG 91 HH21 ARG 91 -10.883 -18.766 3.465 733 HA PRO 92 HA PRO 92 -15.621 -9.046 1.657 734 HB2 PRO 92 HB1 PRO 92 -17.384 -9.776 3.580 735 HB3 PRO 92 HB2 PRO 92 -17.847 -9.785 1.851 736 HG2 PRO 92 HG1 PRO 92 -16.933 -12.125 3.543 737 HG3 PRO 92 HG2 PRO 92 -18.350 -12.046 2.441 738 HD2 PRO 92 HD1 PRO 92 -15.906 -13.118 1.714 739 HD3 PRO 92 HD2 PRO 92 -16.990 -12.306 0.547 740 H LEU 93 H LEU 93 -15.037 -8.101 3.786 741 HA LEU 93 HA LEU 93 -13.527 -9.662 5.689 742 HB2 LEU 93 HB1 LEU 93 -11.461 -8.430 5.338 743 HB3 LEU 93 HB2 LEU 93 -11.901 -9.340 3.876 744 HG LEU 93 HG LEU 93 -12.966 -6.928 3.220 745 HD11 LEU 93 HD11 LEU 93 -10.557 -6.204 4.947 746 HD12 LEU 93 HD12 LEU 93 -12.241 -5.813 5.344 747 HD13 LEU 93 HD13 LEU 93 -11.488 -5.098 3.917 748 HD21 LEU 93 HD21 LEU 93 -11.330 -8.172 1.874 749 HD22 LEU 93 HD22 LEU 93 -10.019 -7.628 2.947 750 HD23 LEU 93 HD23 LEU 93 -10.919 -6.451 1.964 751 H LYS 94 H LYS 94 -13.080 -8.408 7.475 752 HA LYS 94 HA LYS 94 -14.366 -5.752 7.665 753 HB2 LYS 94 HB1 LYS 94 -15.676 -6.251 9.602 754 HB3 LYS 94 HB2 LYS 94 -16.125 -7.247 8.184 755 HG2 LYS 94 HG1 LYS 94 -16.313 -8.723 9.925 756 HG3 LYS 94 HG2 LYS 94 -14.727 -9.095 9.271 757 HD2 LYS 94 HD1 LYS 94 -13.658 -7.908 11.139 758 HD3 LYS 94 HD2 LYS 94 -15.253 -7.327 11.700 759 HE2 LYS 94 HE1 LYS 94 -14.759 -9.119 13.136 760 HE3 LYS 94 HE2 LYS 94 -15.906 -9.780 11.956 761 HZ1 LYS 94 HZ1 LYS 94 -14.081 -11.312 12.261 762 HZ2 LYS 94 HZ2 LYS 94 -12.961 -10.140 11.961 763 HZ3 LYS 94 HZ3 LYS 94 -13.920 -10.676 10.759 764 H ALA 95 H ALA 95 -13.976 -4.518 9.521 765 HA ALA 95 HA ALA 95 -11.203 -4.433 10.296 766 HB1 ALA 95 HB1 ALA 95 -12.606 -2.415 10.106 767 HB2 ALA 95 HB2 ALA 95 -13.608 -2.982 11.471 768 HB3 ALA 95 HB3 ALA 95 -11.894 -2.582 11.726 769 H GLY 96 H GLY 96 -10.271 -5.565 11.727 770 HA2 GLY 96 HA3 GLY 96 -10.003 -6.720 13.890 771 HA3 GLY 96 HA2 GLY 96 -11.758 -7.006 13.902 772 H GLU 97 H GLU 97 -9.264 -7.471 11.446 773 HA GLU 97 HA GLU 97 -9.235 -10.386 11.483 774 HB2 GLU 97 HB1 GLU 97 -9.975 -8.785 8.976 775 HB3 GLU 97 HB2 GLU 97 -9.595 -10.530 9.020 776 HG2 GLU 97 HG1 GLU 97 -11.388 -10.819 10.715 777 HG3 GLU 97 HG2 GLU 97 -11.892 -9.150 10.426 778 H GLU 98 H GLU 98 -7.646 -10.806 9.257 779 HA GLU 98 HA GLU 98 -5.415 -9.009 9.207 780 HB2 GLU 98 HB1 GLU 98 -5.240 -11.833 10.324 781 HB3 GLU 98 HB2 GLU 98 -3.849 -10.968 9.616 782 HG2 GLU 98 HG1 GLU 98 -4.093 -9.186 11.293 783 HG3 GLU 98 HG2 GLU 98 -5.470 -10.035 12.023 784 H VAL 99 H VAL 99 -4.479 -9.203 7.359 785 HA VAL 99 HA VAL 99 -5.299 -11.217 5.296 786 HB VAL 99 HB VAL 99 -5.597 -8.184 5.181 787 HG11 VAL 99 HG11 VAL 99 -4.680 -8.841 3.026 788 HG12 VAL 99 HG12 VAL 99 -5.835 -10.188 2.895 789 HG13 VAL 99 HG13 VAL 99 -6.391 -8.494 2.837 790 HG21 VAL 99 HG21 VAL 99 -7.646 -10.424 4.784 791 HG22 VAL 99 HG22 VAL 99 -7.541 -9.370 6.203 792 HG23 VAL 99 HG23 VAL 99 -7.966 -8.684 4.636 793 H GLU 100 H GLU 100 -3.741 -11.688 3.791 794 HA GLU 100 HA GLU 100 -1.017 -10.774 4.286 795 HB2 GLU 100 HB1 GLU 100 -1.911 -12.288 1.850 796 HB3 GLU 100 HB2 GLU 100 -0.320 -12.283 2.626 797 HG2 GLU 100 HG1 GLU 100 -1.309 -13.628 4.503 798 HG3 GLU 100 HG2 GLU 100 -2.842 -13.692 3.601 799 H LEU 101 H LEU 101 0.234 -9.449 3.041 800 HA LEU 101 HA LEU 101 -0.670 -8.897 0.276 801 HB2 LEU 101 HB1 LEU 101 0.452 -6.882 2.167 802 HB3 LEU 101 HB2 LEU 101 1.145 -6.941 0.508 803 HG LEU 101 HG LEU 101 -1.131 -6.662 -0.430 804 HD11 LEU 101 HD11 LEU 101 -2.659 -7.310 1.316 805 HD12 LEU 101 HD12 LEU 101 -2.868 -5.585 1.083 806 HD13 LEU 101 HD13 LEU 101 -1.935 -6.185 2.470 807 HD21 LEU 101 HD21 LEU 101 -0.224 -4.458 1.444 808 HD22 LEU 101 HD22 LEU 101 -1.217 -4.264 -0.021 809 HD23 LEU 101 HD23 LEU 101 0.463 -4.800 -0.167 810 H ASP 102 H ASP 102 0.686 -9.351 -1.208 811 HA ASP 102 HA ASP 102 3.404 -10.423 -0.652 812 HB2 ASP 102 HB1 ASP 102 1.613 -10.562 -3.080 813 HB3 ASP 102 HB2 ASP 102 3.322 -11.039 -3.073 814 H LEU 103 H LEU 103 5.125 -9.497 -1.844 815 HA LEU 103 HA LEU 103 4.707 -6.693 -2.825 816 HB2 LEU 103 HB1 LEU 103 6.928 -7.914 -1.145 817 HB3 LEU 103 HB2 LEU 103 6.988 -6.303 -1.909 818 HG LEU 103 HG LEU 103 4.847 -5.806 -0.513 819 HD11 LEU 103 HD11 LEU 103 4.292 -8.003 0.419 820 HD12 LEU 103 HD12 LEU 103 4.845 -6.974 1.721 821 HD13 LEU 103 HD13 LEU 103 5.945 -8.197 1.045 822 HD21 LEU 103 HD21 LEU 103 6.291 -5.146 1.417 823 HD22 LEU 103 HD22 LEU 103 7.012 -4.759 -0.147 824 HD23 LEU 103 HD23 LEU 103 7.592 -6.168 0.773 825 H LEU 104 H LEU 104 5.525 -6.271 -4.827 826 HA LEU 104 HA LEU 104 7.198 -8.355 -6.169 827 HB2 LEU 104 HB1 LEU 104 5.318 -6.267 -7.313 828 HB3 LEU 104 HB2 LEU 104 6.241 -7.430 -8.250 829 HG LEU 104 HG LEU 104 3.922 -7.982 -6.360 830 HD11 LEU 104 HD11 LEU 104 4.195 -8.304 -9.379 831 HD12 LEU 104 HD12 LEU 104 3.275 -7.037 -8.536 832 HD13 LEU 104 HD13 LEU 104 2.768 -8.729 -8.411 833 HD21 LEU 104 HD21 LEU 104 5.593 -9.981 -7.957 834 HD22 LEU 104 HD22 LEU 104 4.067 -10.356 -7.122 835 HD23 LEU 104 HD23 LEU 104 5.483 -9.870 -6.187 836 H PHE 105 H PHE 105 9.222 -7.831 -6.423 837 HA PHE 105 HA PHE 105 10.066 -4.959 -6.583 838 HB2 PHE 105 HB1 PHE 105 11.552 -7.420 -5.652 839 HB3 PHE 105 HB2 PHE 105 12.219 -5.794 -5.708 840 HD1 PHE 105 HD2 PHE 105 9.878 -8.090 -3.949 841 HD2 PHE 105 HD1 PHE 105 11.707 -4.180 -3.970 842 HE1 PHE 105 HE2 PHE 105 9.364 -7.828 -1.555 843 HE2 PHE 105 HE1 PHE 105 11.207 -3.939 -1.559 844 HZ PHE 105 HZ PHE 105 10.063 -5.797 -0.335 845 H ALA 106 H ALA 106 11.902 -4.514 -7.940 846 HA ALA 106 HA ALA 106 12.074 -5.895 -10.462 847 HB1 ALA 106 HB1 ALA 106 12.665 -3.502 -10.137 848 HB2 ALA 106 HB2 ALA 106 14.067 -3.996 -9.154 849 HB3 ALA 106 HB3 ALA 106 13.992 -4.421 -10.876 850 H GLY 107 H GLY 107 13.640 -7.297 -11.279 851 HA2 GLY 107 HA3 GLY 107 15.543 -8.646 -11.283 852 HA3 GLY 107 HA2 GLY 107 15.768 -8.341 -9.546 853 H GLY 108 H GLY 108 12.627 -9.470 -10.679 854 HA2 GLY 108 HA3 GLY 108 11.579 -11.530 -10.604 855 HA3 GLY 108 HA2 GLY 108 13.158 -12.309 -10.358 856 H LYS 109 H LYS 109 12.691 -9.848 -8.098 857 HA LYS 109 HA LYS 109 12.468 -11.769 -5.906 858 HB2 LYS 109 HB1 LYS 109 12.999 -8.819 -6.218 859 HB3 LYS 109 HB2 LYS 109 12.609 -9.474 -4.613 860 HG2 LYS 109 HG1 LYS 109 14.517 -10.928 -4.645 861 HG3 LYS 109 HG2 LYS 109 14.787 -10.634 -6.377 862 HD2 LYS 109 HD1 LYS 109 15.216 -8.212 -5.843 863 HD3 LYS 109 HD2 LYS 109 15.006 -8.579 -4.117 864 HE2 LYS 109 HE1 LYS 109 16.939 -10.147 -4.247 865 HE3 LYS 109 HE2 LYS 109 17.121 -9.764 -5.974 866 HZ1 LYS 109 HZ1 LYS 109 18.638 -8.471 -4.619 867 HZ2 LYS 109 HZ2 LYS 109 17.409 -7.857 -3.716 868 HZ3 LYS 109 HZ3 LYS 109 17.546 -7.455 -5.307 869 H VAL 110 H VAL 110 10.657 -12.507 -5.303 870 HA VAL 110 HA VAL 110 8.342 -10.690 -4.809 871 HB VAL 110 HB VAL 110 7.707 -12.439 -6.365 872 HG11 VAL 110 HG11 VAL 110 8.363 -14.477 -4.197 873 HG12 VAL 110 HG12 VAL 110 7.594 -14.802 -5.761 874 HG13 VAL 110 HG13 VAL 110 9.270 -14.242 -5.708 875 HG21 VAL 110 HG21 VAL 110 5.688 -13.199 -5.290 876 HG22 VAL 110 HG22 VAL 110 6.386 -12.984 -3.676 877 HG23 VAL 110 HG23 VAL 110 6.041 -11.571 -4.692 878 H LEU 111 H LEU 111 7.476 -10.652 -2.777 879 HA LEU 111 HA LEU 111 8.502 -12.423 -0.640 880 HB2 LEU 111 HB1 LEU 111 9.875 -10.226 -0.918 881 HB3 LEU 111 HB2 LEU 111 8.423 -9.407 -0.309 882 HG LEU 111 HG LEU 111 8.653 -10.678 1.832 883 HD11 LEU 111 HD11 LEU 111 9.872 -12.678 1.068 884 HD12 LEU 111 HD12 LEU 111 10.820 -11.830 2.293 885 HD13 LEU 111 HD13 LEU 111 11.255 -11.675 0.578 886 HD21 LEU 111 HD21 LEU 111 11.112 -9.106 0.952 887 HD22 LEU 111 HD22 LEU 111 10.600 -9.396 2.630 888 HD23 LEU 111 HD23 LEU 111 9.590 -8.416 1.556 889 H LYS 112 H LYS 112 7.128 -11.830 1.489 890 HA LYS 112 HA LYS 112 4.666 -10.421 1.018 891 HB2 LYS 112 HB1 LYS 112 3.096 -12.212 1.473 892 HB3 LYS 112 HB2 LYS 112 4.026 -12.535 -0.006 893 HG2 LYS 112 HG1 LYS 112 5.475 -14.093 1.307 894 HG3 LYS 112 HG2 LYS 112 4.422 -13.857 2.713 895 HD2 LYS 112 HD1 LYS 112 3.472 -14.855 -0.013 896 HD3 LYS 112 HD2 LYS 112 3.885 -15.916 1.360 897 HE2 LYS 112 HE1 LYS 112 1.906 -15.574 2.349 898 HE3 LYS 112 HE2 LYS 112 2.002 -13.817 2.159 899 HZ1 LYS 112 HZ1 LYS 112 1.115 -15.665 0.034 900 HZ2 LYS 112 HZ2 LYS 112 1.087 -14.011 -0.017 901 HZ3 LYS 112 HZ3 LYS 112 0.123 -14.851 1.026 902 H VAL 113 H VAL 113 3.330 -10.137 2.852 903 HA VAL 113 HA VAL 113 4.438 -10.759 5.525 904 HB VAL 113 HB VAL 113 3.740 -7.882 4.871 905 HG11 VAL 113 HG11 VAL 113 5.134 -7.425 6.928 906 HG12 VAL 113 HG12 VAL 113 3.668 -8.327 7.248 907 HG13 VAL 113 HG13 VAL 113 5.230 -9.178 7.189 908 HG21 VAL 113 HG21 VAL 113 5.754 -8.371 3.502 909 HG22 VAL 113 HG22 VAL 113 6.154 -7.311 4.844 910 HG23 VAL 113 HG23 VAL 113 6.570 -9.033 4.933 911 H VAL 114 H VAL 114 2.792 -10.027 7.223 912 HA VAL 114 HA VAL 114 -0.010 -10.289 6.203 913 HB VAL 114 HB VAL 114 1.072 -11.562 8.741 914 HG11 VAL 114 HG11 VAL 114 -1.177 -12.711 8.744 915 HG12 VAL 114 HG12 VAL 114 -1.307 -10.968 8.968 916 HG13 VAL 114 HG13 VAL 114 -1.671 -11.684 7.380 917 HG21 VAL 114 HG21 VAL 114 0.627 -13.732 7.557 918 HG22 VAL 114 HG22 VAL 114 0.312 -12.819 6.063 919 HG23 VAL 114 HG23 VAL 114 1.925 -12.802 6.808 920 H LEU 115 H LEU 115 -1.544 -9.039 7.260 921 HA LEU 115 HA LEU 115 -0.662 -7.098 9.279 922 HB2 LEU 115 HB1 LEU 115 -1.440 -5.235 7.780 923 HB3 LEU 115 HB2 LEU 115 0.167 -5.912 7.528 924 HG LEU 115 HG LEU 115 -2.231 -6.691 5.809 925 HD11 LEU 115 HD11 LEU 115 -1.420 -4.932 4.219 926 HD12 LEU 115 HD12 LEU 115 -0.265 -4.393 5.447 927 HD13 LEU 115 HD13 LEU 115 -2.009 -4.260 5.728 928 HD21 LEU 115 HD21 LEU 115 0.804 -6.769 5.410 929 HD22 LEU 115 HD22 LEU 115 -0.382 -7.025 4.107 930 HD23 LEU 115 HD23 LEU 115 -0.302 -8.154 5.431 931 HA PRO 116 HA PRO 116 -4.921 -7.445 10.486 932 HB2 PRO 116 HB1 PRO 116 -5.277 -5.189 11.999 933 HB3 PRO 116 HB2 PRO 116 -4.330 -6.611 12.534 934 HG2 PRO 116 HG1 PRO 116 -3.289 -4.079 11.218 935 HG3 PRO 116 HG2 PRO 116 -2.692 -4.868 12.723 936 HD2 PRO 116 HD1 PRO 116 -1.465 -5.331 10.363 937 HD3 PRO 116 HD2 PRO 116 -1.766 -6.687 11.494 938 H VAL 117 H VAL 117 -6.985 -6.665 10.149 939 HA VAL 117 HA VAL 117 -7.293 -4.517 8.105 940 HB VAL 117 HB VAL 117 -9.421 -6.351 9.242 941 HG11 VAL 117 HG11 VAL 117 -10.769 -5.547 7.313 942 HG12 VAL 117 HG12 VAL 117 -10.283 -4.179 8.314 943 HG13 VAL 117 HG13 VAL 117 -9.433 -4.500 6.794 944 HG21 VAL 117 HG21 VAL 117 -7.811 -7.683 7.933 945 HG22 VAL 117 HG22 VAL 117 -9.332 -7.517 7.045 946 HG23 VAL 117 HG23 VAL 117 -7.932 -6.537 6.581 947 H GLU 118 H GLU 118 -7.627 -2.502 8.850 948 HA GLU 118 HA GLU 118 -9.173 -2.086 11.379 949 HB2 GLU 118 HB1 GLU 118 -7.043 -0.264 10.251 950 HB3 GLU 118 HB2 GLU 118 -8.133 0.092 11.628 951 HG2 GLU 118 HG1 GLU 118 -7.183 -2.060 12.687 952 HG3 GLU 118 HG2 GLU 118 -5.876 -1.921 11.500 953 H ALA 119 H ALA 119 -9.987 0.474 11.095 954 HA ALA 119 HA ALA 119 -12.292 -0.314 9.567 955 HB1 ALA 119 HB1 ALA 119 -12.309 0.427 11.940 956 HB2 ALA 119 HB2 ALA 119 -11.883 2.070 11.404 957 HB3 ALA 119 HB3 ALA 119 -13.434 1.341 10.926 958 H ARG 120 H ARG 120 -13.764 1.630 8.951 959 HA ARG 120 HA ARG 120 -12.673 2.871 6.517 960 HB2 ARG 120 HB1 ARG 120 -15.016 3.683 6.179 961 HB3 ARG 120 HB2 ARG 120 -14.686 1.929 6.055 962 HG2 ARG 120 HG1 ARG 120 -16.668 1.839 7.065 963 HG3 ARG 120 HG2 ARG 120 -15.680 1.888 8.512 964 HD2 ARG 120 HD1 ARG 120 -17.151 4.251 7.245 965 HD3 ARG 120 HD2 ARG 120 -17.692 3.323 8.663 966 HE ARG 120 HE ARG 120 -15.041 4.314 9.063 967 HH11 ARG 120 HH12 ARG 120 -18.251 5.695 9.155 968 HH12 ARG 120 HH11 ARG 120 -17.640 7.135 9.941 969 HH21 ARG 120 HH22 ARG 120 -14.374 5.981 9.814 970 HH22 ARG 120 HH21 ARG 120 -15.390 7.314 10.367 Start of MODEL 22 1 H1 GLY 1 1H GLY 1 6.525 -1.873 18.922 2 H2 GLY 1 2H GLY 1 7.781 -1.317 19.796 3 H3 GLY 1 3H GLY 1 6.861 -2.557 20.393 4 HA2 GLY 1 HA3 GLY 1 9.019 -3.332 19.517 5 HA3 GLY 1 HA2 GLY 1 7.629 -4.029 18.656 6 H SER 2 H SER 2 7.422 -3.636 16.474 7 HA SER 2 HA SER 2 8.362 -1.331 15.025 8 HB2 SER 2 HB1 SER 2 6.130 -1.887 13.865 9 HB3 SER 2 HB2 SER 2 7.386 -3.153 13.824 10 HG SER 2 HG SER 2 5.270 -3.915 14.405 11 H PHE 3 H PHE 3 6.569 0.260 14.415 12 HA PHE 3 HA PHE 3 4.596 1.134 16.269 13 HB2 PHE 3 HB1 PHE 3 5.697 3.281 16.937 14 HB3 PHE 3 HB2 PHE 3 6.355 1.848 17.732 15 HD1 PHE 3 HD2 PHE 3 7.030 4.590 15.346 16 HD2 PHE 3 HD1 PHE 3 8.649 1.084 17.268 17 HE1 PHE 3 HE2 PHE 3 9.307 5.227 14.601 18 HE2 PHE 3 HE1 PHE 3 10.922 1.724 16.516 19 HZ PHE 3 HZ PHE 3 11.256 3.797 15.179 20 H THR 4 H THR 4 6.946 2.179 13.887 21 HA THR 4 HA THR 4 4.868 2.862 11.901 22 HB THR 4 HB THR 4 6.872 2.368 10.349 23 HG1 THR 4 HG1 THR 4 8.860 2.694 11.408 24 HG21 THR 4 HG21 THR 4 7.116 4.689 12.321 25 HG22 THR 4 HG22 THR 4 6.061 4.665 10.893 26 HG23 THR 4 HG23 THR 4 7.814 4.609 10.683 27 H GLU 5 H GLU 5 3.659 1.304 11.077 28 HA GLU 5 HA GLU 5 4.556 -1.349 10.419 29 HB2 GLU 5 HB1 GLU 5 3.840 -1.404 12.921 30 HB3 GLU 5 HB2 GLU 5 2.192 -1.142 12.308 31 HG2 GLU 5 HG1 GLU 5 2.268 -3.447 12.497 32 HG3 GLU 5 HG2 GLU 5 2.716 -3.282 10.810 33 H GLY 6 H GLY 6 2.416 -2.484 9.326 34 HA2 GLY 6 HA3 GLY 6 1.248 -0.312 7.675 35 HA3 GLY 6 HA2 GLY 6 1.367 -2.031 7.234 36 H TRP 7 H TRP 7 -0.959 -0.849 6.820 37 HA TRP 7 HA TRP 7 -2.808 -2.344 8.543 38 HB2 TRP 7 HB1 TRP 7 -2.311 0.158 9.352 39 HB3 TRP 7 HB2 TRP 7 -3.487 0.553 8.106 40 HD1 TRP 7 HD TRP 7 -5.993 -0.371 8.433 41 HE1 TRP 7 HE1 TRP 7 -7.276 -1.223 10.440 42 HE3 TRP 7 3HE TRP 7 -2.086 -0.737 11.707 43 HZ2 TRP 7 HZ2 TRP 7 -6.592 -2.255 13.154 44 HZ3 TRP 7 HZ3 TRP 7 -2.432 -1.614 13.998 45 HH2 TRP 7 HH TRP 7 -4.682 -2.416 14.704 46 H VAL 8 H VAL 8 -4.961 -2.543 7.530 47 HA VAL 8 HA VAL 8 -5.249 -1.469 4.735 48 HB VAL 8 HB VAL 8 -6.129 -4.190 5.760 49 HG11 VAL 8 HG11 VAL 8 -6.396 -2.933 2.989 50 HG12 VAL 8 HG12 VAL 8 -6.760 -4.628 3.382 51 HG13 VAL 8 HG13 VAL 8 -7.731 -3.339 4.096 52 HG21 VAL 8 HG21 VAL 8 -3.960 -3.457 3.742 53 HG22 VAL 8 HG22 VAL 8 -3.706 -4.160 5.349 54 HG23 VAL 8 HG23 VAL 8 -4.513 -5.110 4.099 55 H ARG 9 H ARG 9 -7.122 -0.460 4.303 56 HA ARG 9 HA ARG 9 -8.856 0.037 6.635 57 HB2 ARG 9 HB1 ARG 9 -7.734 1.780 5.099 58 HB3 ARG 9 HB2 ARG 9 -8.996 1.434 3.927 59 HG2 ARG 9 HG1 ARG 9 -9.405 2.378 6.794 60 HG3 ARG 9 HG2 ARG 9 -9.463 3.406 5.341 61 HD2 ARG 9 HD1 ARG 9 -11.431 2.003 4.568 62 HD3 ARG 9 HD2 ARG 9 -11.423 1.248 6.179 63 HE ARG 9 HE ARG 9 -11.383 4.016 6.603 64 HH11 ARG 9 HH12 ARG 9 -13.665 1.640 5.340 65 HH12 ARG 9 HH11 ARG 9 -15.048 2.669 5.632 66 HH21 ARG 9 HH22 ARG 9 -13.155 5.139 7.216 67 HH22 ARG 9 HH21 ARG 9 -14.755 4.722 6.648 68 H PHE 10 H PHE 10 -10.543 -1.201 6.898 69 HA PHE 10 HA PHE 10 -11.753 -3.040 5.154 70 HB2 PHE 10 HB1 PHE 10 -11.893 -3.231 7.537 71 HB3 PHE 10 HB2 PHE 10 -12.649 -1.634 7.691 72 HD1 PHE 10 HD2 PHE 10 -15.011 -1.270 7.181 73 HD2 PHE 10 HD1 PHE 10 -13.224 -5.176 6.874 74 HE1 PHE 10 HE2 PHE 10 -17.262 -2.285 7.071 75 HE2 PHE 10 HE1 PHE 10 -15.487 -6.209 6.950 76 HZ PHE 10 HZ PHE 10 -17.514 -4.766 6.988 77 H SER 11 H SER 11 -13.598 -3.112 3.936 78 HA SER 11 HA SER 11 -15.742 -1.254 4.297 79 HB2 SER 11 HB1 SER 11 -14.184 -0.024 2.667 80 HB3 SER 11 HB2 SER 11 -14.518 -1.322 1.502 81 HG SER 11 HG SER 11 -15.919 0.407 1.177 82 HA PRO 12 HA PRO 12 -17.574 -5.058 2.552 83 HB2 PRO 12 HB1 PRO 12 -20.197 -4.501 2.619 84 HB3 PRO 12 HB2 PRO 12 -19.239 -4.542 4.133 85 HG2 PRO 12 HG1 PRO 12 -19.904 -2.097 2.443 86 HG3 PRO 12 HG2 PRO 12 -20.250 -2.327 4.192 87 HD2 PRO 12 HD1 PRO 12 -17.988 -1.060 3.300 88 HD3 PRO 12 HD2 PRO 12 -17.970 -2.101 4.752 89 H GLY 13 H GLY 13 -16.261 -3.595 0.725 90 HA2 GLY 13 HA3 GLY 13 -18.080 -3.259 -1.626 91 HA3 GLY 13 HA2 GLY 13 -16.770 -2.106 -1.280 92 HA PRO 14 HA PRO 14 -15.369 -5.756 -3.997 93 HB2 PRO 14 HB1 PRO 14 -15.239 -4.585 -6.468 94 HB3 PRO 14 HB2 PRO 14 -16.733 -5.315 -5.811 95 HG2 PRO 14 HG1 PRO 14 -15.919 -2.395 -5.786 96 HG3 PRO 14 HG2 PRO 14 -17.498 -3.101 -6.285 97 HD2 PRO 14 HD1 PRO 14 -17.101 -2.062 -3.790 98 HD3 PRO 14 HD2 PRO 14 -18.110 -3.515 -4.045 99 H ASN 15 H ASN 15 -14.276 -2.378 -3.720 100 HA ASN 15 HA ASN 15 -11.482 -3.245 -4.040 101 HB2 ASN 15 HB1 ASN 15 -11.266 -0.936 -5.144 102 HB3 ASN 15 HB2 ASN 15 -11.962 -2.254 -6.098 103 HD21 ASN 15 HD21 ASN 15 -13.267 0.225 -3.790 104 HD22 ASN 15 HD22 ASN 15 -14.518 0.745 -4.919 105 H ALA 16 H ALA 16 -9.910 -1.977 -3.041 106 HA ALA 16 HA ALA 16 -10.645 -0.196 -0.789 107 HB1 ALA 16 HB1 ALA 16 -9.235 -2.876 -0.413 108 HB2 ALA 16 HB2 ALA 16 -9.635 -1.706 0.866 109 HB3 ALA 16 HB3 ALA 16 -10.928 -2.547 0.006 110 H ALA 17 H ALA 17 -8.335 -0.045 0.580 111 HA ALA 17 HA ALA 17 -6.049 0.362 -1.289 112 HB1 ALA 17 HB1 ALA 17 -7.153 2.560 -1.035 113 HB2 ALA 17 HB2 ALA 17 -7.110 2.404 0.730 114 HB3 ALA 17 HB3 ALA 17 -5.596 2.537 -0.179 115 H ALA 18 H ALA 18 -4.163 -0.335 -0.350 116 HA ALA 18 HA ALA 18 -4.182 -1.268 2.490 117 HB1 ALA 18 HB1 ALA 18 -2.798 -2.476 0.061 118 HB2 ALA 18 HB2 ALA 18 -2.698 -3.078 1.721 119 HB3 ALA 18 HB3 ALA 18 -4.250 -3.124 0.868 120 H TYR 19 H TYR 19 -2.777 -0.431 3.772 121 HA TYR 19 HA TYR 19 -0.592 1.317 2.747 122 HB2 TYR 19 HB1 TYR 19 -2.215 1.313 5.321 123 HB3 TYR 19 HB2 TYR 19 -0.928 2.463 4.938 124 HD1 TYR 19 HD1 TYR 19 -1.223 4.154 3.181 125 HD2 TYR 19 HD2 TYR 19 -4.410 1.448 4.194 126 HE1 TYR 19 HE1 TYR 19 -2.820 5.592 1.936 127 HE2 TYR 19 HE2 TYR 19 -6.002 2.832 2.870 128 HH TYR 19 HH TYR 19 -4.964 5.771 1.114 129 H LEU 20 H LEU 20 0.491 -0.864 2.433 130 HA LEU 20 HA LEU 20 1.115 -2.422 4.754 131 HB2 LEU 20 HB1 LEU 20 2.188 -3.919 3.287 132 HB3 LEU 20 HB2 LEU 20 0.748 -3.252 2.462 133 HG LEU 20 HG LEU 20 2.415 -1.721 1.225 134 HD11 LEU 20 HD11 LEU 20 4.634 -2.906 0.816 135 HD12 LEU 20 HD12 LEU 20 4.297 -3.932 2.217 136 HD13 LEU 20 HD13 LEU 20 4.524 -2.181 2.413 137 HD21 LEU 20 HD21 LEU 20 1.136 -3.464 0.147 138 HD22 LEU 20 HD22 LEU 20 2.201 -4.726 0.801 139 HD23 LEU 20 HD23 LEU 20 2.806 -3.601 -0.425 140 H THR 21 H THR 21 3.168 -2.922 5.760 141 HA THR 21 HA THR 21 5.082 -0.667 5.647 142 HB THR 21 HB THR 21 4.541 -1.264 7.903 143 HG1 THR 21 HG1 THR 21 6.766 -1.941 8.436 144 HG21 THR 21 HG21 THR 21 3.938 -3.587 7.630 145 HG22 THR 21 HG22 THR 21 5.206 -3.366 8.837 146 HG23 THR 21 HG23 THR 21 5.633 -4.006 7.232 147 H LEU 22 H LEU 22 7.115 -0.803 5.006 148 HA LEU 22 HA LEU 22 7.850 -3.155 3.346 149 HB2 LEU 22 HB1 LEU 22 7.219 -0.809 2.260 150 HB3 LEU 22 HB2 LEU 22 8.860 -0.365 2.781 151 HG LEU 22 HG LEU 22 8.832 -0.916 0.467 152 HD11 LEU 22 HD11 LEU 22 10.693 -2.358 0.342 153 HD12 LEU 22 HD12 LEU 22 10.229 -3.260 1.786 154 HD13 LEU 22 HD13 LEU 22 10.831 -1.592 1.926 155 HD21 LEU 22 HD21 LEU 22 8.285 -3.125 -0.396 156 HD22 LEU 22 HD22 LEU 22 6.889 -2.438 0.456 157 HD23 LEU 22 HD23 LEU 22 7.874 -3.688 1.235 158 H GLU 23 H GLU 23 9.727 -4.030 3.840 159 HA GLU 23 HA GLU 23 11.701 -2.603 5.559 160 HB2 GLU 23 HB1 GLU 23 11.086 -5.584 5.481 161 HB3 GLU 23 HB2 GLU 23 12.345 -4.777 6.453 162 HG2 GLU 23 HG1 GLU 23 10.470 -3.433 7.527 163 HG3 GLU 23 HG2 GLU 23 9.321 -4.536 6.752 164 H ASN 24 H ASN 24 13.572 -2.337 4.590 165 HA ASN 24 HA ASN 24 14.494 -4.375 2.573 166 HB2 ASN 24 HB1 ASN 24 14.474 -2.025 1.828 167 HB3 ASN 24 HB2 ASN 24 15.584 -1.606 3.140 168 HD21 ASN 24 HD21 ASN 24 16.576 -1.017 0.805 169 HD22 ASN 24 HD22 ASN 24 17.721 -2.231 0.211 170 HA PRO 25 HA PRO 25 16.958 -5.368 6.346 171 HB2 PRO 25 HB1 PRO 25 17.179 -8.057 5.981 172 HB3 PRO 25 HB2 PRO 25 15.677 -7.302 6.600 173 HG2 PRO 25 HG1 PRO 25 16.310 -8.077 3.733 174 HG3 PRO 25 HG2 PRO 25 14.850 -8.513 4.692 175 HD2 PRO 25 HD1 PRO 25 14.869 -6.392 2.977 176 HD3 PRO 25 HD2 PRO 25 13.999 -6.314 4.539 177 H GLY 26 H GLY 26 17.648 -5.362 2.974 178 HA2 GLY 26 HA3 GLY 26 20.242 -6.699 3.145 179 HA3 GLY 26 HA2 GLY 26 19.450 -6.025 1.703 180 H ASP 27 H ASP 27 21.904 -5.545 1.740 181 HA ASP 27 HA ASP 27 22.702 -3.041 3.046 182 HB2 ASP 27 HB1 ASP 27 24.054 -5.374 1.623 183 HB3 ASP 27 HB2 ASP 27 24.904 -3.978 2.288 184 H LEU 28 H LEU 28 21.297 -3.951 0.255 185 HA LEU 28 HA LEU 28 22.318 -1.680 -1.335 186 HB2 LEU 28 HB1 LEU 28 21.964 -2.972 -3.366 187 HB3 LEU 28 HB2 LEU 28 23.120 -3.743 -2.230 188 HG LEU 28 HG LEU 28 21.127 -5.240 -1.546 189 HD11 LEU 28 HD11 LEU 28 20.090 -4.227 -4.238 190 HD12 LEU 28 HD12 LEU 28 19.261 -4.102 -2.674 191 HD13 LEU 28 HD13 LEU 28 19.501 -5.682 -3.406 192 HD21 LEU 28 HD21 LEU 28 21.630 -6.807 -3.389 193 HD22 LEU 28 HD22 LEU 28 23.100 -6.021 -2.798 194 HD23 LEU 28 HD23 LEU 28 22.361 -5.483 -4.323 195 HA PRO 29 HA PRO 29 18.169 -0.350 -1.124 196 HB2 PRO 29 HB1 PRO 29 17.746 1.178 -3.331 197 HB3 PRO 29 HB2 PRO 29 18.943 1.610 -2.074 198 HG2 PRO 29 HG1 PRO 29 19.431 0.240 -4.722 199 HG3 PRO 29 HG2 PRO 29 20.366 1.583 -3.974 200 HD2 PRO 29 HD1 PRO 29 21.088 -1.096 -3.843 201 HD3 PRO 29 HD2 PRO 29 21.538 0.074 -2.586 202 H LEU 30 H LEU 30 16.031 -0.818 -1.654 203 HA LEU 30 HA LEU 30 15.543 -2.808 -3.838 204 HB2 LEU 30 HB1 LEU 30 14.362 -2.371 -1.118 205 HB3 LEU 30 HB2 LEU 30 13.299 -2.997 -2.394 206 HG LEU 30 HG LEU 30 14.390 -5.023 -2.516 207 HD11 LEU 30 HD11 LEU 30 16.774 -3.927 -1.004 208 HD12 LEU 30 HD12 LEU 30 16.721 -4.445 -2.694 209 HD13 LEU 30 HD13 LEU 30 16.517 -5.634 -1.406 210 HD21 LEU 30 HD21 LEU 30 14.421 -4.228 0.384 211 HD22 LEU 30 HD22 LEU 30 14.424 -5.892 -0.227 212 HD23 LEU 30 HD23 LEU 30 13.040 -4.829 -0.538 213 H ARG 31 H ARG 31 13.684 -2.631 -4.985 214 HA ARG 31 HA ARG 31 12.366 0.035 -5.180 215 HB2 ARG 31 HB1 ARG 31 14.256 -0.309 -6.919 216 HB3 ARG 31 HB2 ARG 31 13.164 -1.499 -7.667 217 HG2 ARG 31 HG1 ARG 31 11.464 0.201 -8.000 218 HG3 ARG 31 HG2 ARG 31 12.378 1.390 -7.050 219 HD2 ARG 31 HD1 ARG 31 13.997 0.382 -9.258 220 HD3 ARG 31 HD2 ARG 31 12.413 0.982 -9.838 221 HE ARG 31 HE ARG 31 13.060 3.119 -9.416 222 HH11 ARG 31 HH12 ARG 31 15.318 1.127 -7.515 223 HH12 ARG 31 HH11 ARG 31 16.043 2.546 -6.798 224 HH21 ARG 31 HH22 ARG 31 14.182 4.866 -8.510 225 HH22 ARG 31 HH21 ARG 31 15.367 4.548 -7.279 226 H LEU 32 H LEU 32 10.270 -0.288 -4.909 227 HA LEU 32 HA LEU 32 9.031 -2.971 -5.319 228 HB2 LEU 32 HB1 LEU 32 8.926 -1.866 -3.122 229 HB3 LEU 32 HB2 LEU 32 8.178 -0.434 -3.858 230 HG LEU 32 HG LEU 32 6.235 -1.978 -4.530 231 HD11 LEU 32 HD11 LEU 32 7.583 -3.834 -2.513 232 HD12 LEU 32 HD12 LEU 32 7.403 -4.162 -4.241 233 HD13 LEU 32 HD13 LEU 32 5.968 -4.053 -3.217 234 HD21 LEU 32 HD21 LEU 32 6.977 -1.345 -1.648 235 HD22 LEU 32 HD22 LEU 32 5.389 -1.987 -2.094 236 HD23 LEU 32 HD23 LEU 32 5.930 -0.430 -2.749 237 H VAL 33 H VAL 33 8.000 -3.264 -7.204 238 HA VAL 33 HA VAL 33 7.215 -0.857 -8.839 239 HB VAL 33 HB VAL 33 7.671 -2.192 -10.828 240 HG11 VAL 33 HG11 VAL 33 10.059 -2.334 -8.927 241 HG12 VAL 33 HG12 VAL 33 10.103 -2.326 -10.697 242 HG13 VAL 33 HG13 VAL 33 9.552 -0.895 -9.828 243 HG21 VAL 33 HG21 VAL 33 8.677 -4.422 -9.001 244 HG22 VAL 33 HG22 VAL 33 7.192 -4.495 -9.978 245 HG23 VAL 33 HG23 VAL 33 8.769 -4.378 -10.766 246 H GLY 34 H GLY 34 6.054 -3.681 -7.234 247 HA2 GLY 34 HA3 GLY 34 3.339 -3.397 -8.249 248 HA3 GLY 34 HA2 GLY 34 4.147 -4.927 -8.659 249 H ALA 35 H ALA 35 2.013 -5.363 -7.361 250 HA ALA 35 HA ALA 35 2.972 -6.718 -5.010 251 HB1 ALA 35 HB1 ALA 35 1.243 -5.890 -3.442 252 HB2 ALA 35 HB2 ALA 35 2.374 -4.633 -3.920 253 HB3 ALA 35 HB3 ALA 35 0.754 -4.673 -4.646 254 H ARG 36 H ARG 36 0.995 -7.928 -3.967 255 HA ARG 36 HA ARG 36 -1.170 -8.755 -5.753 256 HB2 ARG 36 HB1 ARG 36 0.612 -10.089 -6.666 257 HB3 ARG 36 HB2 ARG 36 1.175 -10.583 -5.069 258 HG2 ARG 36 HG1 ARG 36 -0.986 -11.816 -4.748 259 HG3 ARG 36 HG2 ARG 36 -1.439 -11.356 -6.410 260 HD2 ARG 36 HD1 ARG 36 -0.557 -13.417 -6.859 261 HD3 ARG 36 HD2 ARG 36 0.942 -12.491 -6.958 262 HE ARG 36 HE ARG 36 0.944 -13.180 -4.318 263 HH11 ARG 36 HH12 ARG 36 0.261 -15.287 -7.101 264 HH12 ARG 36 HH11 ARG 36 0.565 -16.717 -6.160 265 HH21 ARG 36 HH22 ARG 36 1.405 -14.918 -3.276 266 HH22 ARG 36 HH21 ARG 36 1.343 -16.523 -4.001 267 H THR 37 H THR 37 -2.819 -9.951 -4.499 268 HA THR 37 HA THR 37 -2.306 -10.656 -1.725 269 HB THR 37 HB THR 37 -2.555 -8.413 -1.210 270 HG1 THR 37 HG1 THR 37 -3.813 -9.148 0.230 271 HG21 THR 37 HG21 THR 37 -3.488 -7.440 -3.270 272 HG22 THR 37 HG22 THR 37 -4.512 -7.034 -1.889 273 HG23 THR 37 HG23 THR 37 -5.017 -8.313 -3.007 274 HA PRO 38 HA PRO 38 -5.745 -13.351 -2.709 275 HB2 PRO 38 HB1 PRO 38 -6.521 -14.204 -0.246 276 HB3 PRO 38 HB2 PRO 38 -4.949 -14.634 -0.994 277 HG2 PRO 38 HG1 PRO 38 -5.472 -12.430 1.006 278 HG3 PRO 38 HG2 PRO 38 -4.233 -13.736 1.100 279 HD2 PRO 38 HD1 PRO 38 -3.658 -11.264 0.103 280 HD3 PRO 38 HD2 PRO 38 -2.930 -12.718 -0.607 281 H VAL 39 H VAL 39 -6.087 -10.379 -1.240 282 HA VAL 39 HA VAL 39 -9.047 -10.431 -1.861 283 HB VAL 39 HB VAL 39 -9.253 -8.382 -0.373 284 HG11 VAL 39 HG11 VAL 39 -9.290 -9.636 1.738 285 HG12 VAL 39 HG12 VAL 39 -9.975 -10.539 0.375 286 HG13 VAL 39 HG13 VAL 39 -8.340 -10.939 0.984 287 HG21 VAL 39 HG21 VAL 39 -6.561 -9.178 0.804 288 HG22 VAL 39 HG22 VAL 39 -6.768 -7.800 -0.297 289 HG23 VAL 39 HG23 VAL 39 -7.594 -7.817 1.270 290 H ALA 40 H ALA 40 -7.331 -10.367 -3.915 291 HA ALA 40 HA ALA 40 -8.723 -8.178 -5.130 292 HB1 ALA 40 HB1 ALA 40 -5.670 -8.137 -5.339 293 HB2 ALA 40 HB2 ALA 40 -6.778 -7.074 -6.225 294 HB3 ALA 40 HB3 ALA 40 -6.651 -6.938 -4.471 295 H GLU 41 H GLU 41 -8.663 -8.227 -7.377 296 HA GLU 41 HA GLU 41 -7.796 -10.712 -8.792 297 HB2 GLU 41 HB1 GLU 41 -10.193 -9.800 -8.805 298 HB3 GLU 41 HB2 GLU 41 -9.584 -8.423 -9.727 299 HG2 GLU 41 HG1 GLU 41 -8.914 -9.918 -11.557 300 HG3 GLU 41 HG2 GLU 41 -9.352 -11.344 -10.582 301 H ARG 42 H ARG 42 -7.490 -7.176 -8.629 302 HA ARG 42 HA ARG 42 -4.890 -7.313 -9.944 303 HB2 ARG 42 HB1 ARG 42 -5.351 -5.482 -11.497 304 HB3 ARG 42 HB2 ARG 42 -6.343 -6.916 -11.836 305 HG2 ARG 42 HG1 ARG 42 -8.217 -5.735 -10.540 306 HG3 ARG 42 HG2 ARG 42 -7.195 -4.278 -10.566 307 HD2 ARG 42 HD1 ARG 42 -8.859 -4.197 -12.358 308 HD3 ARG 42 HD2 ARG 42 -7.216 -4.291 -13.026 309 HE ARG 42 HE ARG 42 -7.783 -6.287 -14.030 310 HH11 ARG 42 HH12 ARG 42 -10.332 -5.778 -11.556 311 HH12 ARG 42 HH11 ARG 42 -10.968 -7.393 -11.894 312 HH21 ARG 42 HH22 ARG 42 -8.844 -8.312 -14.312 313 HH22 ARG 42 HH21 ARG 42 -10.237 -8.629 -13.282 314 H VAL 43 H VAL 43 -3.523 -5.778 -9.197 315 HA VAL 43 HA VAL 43 -4.451 -4.035 -6.966 316 HB VAL 43 HB VAL 43 -2.616 -5.854 -6.666 317 HG11 VAL 43 HG11 VAL 43 -1.180 -5.309 -8.576 318 HG12 VAL 43 HG12 VAL 43 -0.873 -3.681 -7.920 319 HG13 VAL 43 HG13 VAL 43 -0.310 -5.090 -7.043 320 HG21 VAL 43 HG21 VAL 43 -3.229 -4.194 -4.972 321 HG22 VAL 43 HG22 VAL 43 -1.505 -4.571 -4.951 322 HG23 VAL 43 HG23 VAL 43 -2.060 -3.046 -5.668 323 H GLU 44 H GLU 44 -3.241 -1.906 -6.857 324 HA GLU 44 HA GLU 44 -2.149 -0.787 -9.360 325 HB2 GLU 44 HB1 GLU 44 -4.852 -0.455 -8.572 326 HB3 GLU 44 HB2 GLU 44 -4.074 1.049 -8.095 327 HG2 GLU 44 HG1 GLU 44 -3.646 -0.104 -10.869 328 HG3 GLU 44 HG2 GLU 44 -5.126 0.812 -10.468 329 H LEU 45 H LEU 45 -0.909 1.241 -8.853 330 HA LEU 45 HA LEU 45 -0.007 1.227 -5.979 331 HB2 LEU 45 HB1 LEU 45 1.629 -0.015 -7.215 332 HB3 LEU 45 HB2 LEU 45 1.688 1.229 -8.493 333 HG LEU 45 HG LEU 45 2.664 2.833 -6.890 334 HD11 LEU 45 HD11 LEU 45 2.834 0.559 -4.891 335 HD12 LEU 45 HD12 LEU 45 1.759 1.965 -4.743 336 HD13 LEU 45 HD13 LEU 45 3.510 2.183 -4.716 337 HD21 LEU 45 HD21 LEU 45 4.882 1.776 -6.713 338 HD22 LEU 45 HD22 LEU 45 4.139 1.418 -8.283 339 HD23 LEU 45 HD23 LEU 45 4.164 0.177 -7.009 340 H HIS 46 H HIS 46 -0.410 3.072 -5.064 341 HA HIS 46 HA HIS 46 -0.423 5.592 -6.664 342 HB2 HIS 46 HB1 HIS 46 -2.168 4.635 -4.369 343 HB3 HIS 46 HB2 HIS 46 -2.261 6.249 -5.094 344 HD2 HIS 46 HD2 HIS 46 -2.050 4.190 -8.097 345 HE1 HIS 46 HE1 HIS 46 -6.144 3.945 -7.038 346 HE2 HIS 46 HE2 HIS 46 -4.404 3.649 -8.970 347 H GLU 47 H GLU 47 -0.129 7.471 -5.731 348 HA GLU 47 HA GLU 47 1.228 7.713 -3.103 349 HB2 GLU 47 HB1 GLU 47 1.965 9.876 -3.797 350 HB3 GLU 47 HB2 GLU 47 2.457 8.544 -4.924 351 HG2 GLU 47 HG1 GLU 47 2.136 10.416 -6.230 352 HG3 GLU 47 HG2 GLU 47 0.792 9.329 -6.541 353 H THR 48 H THR 48 0.519 9.993 -2.058 354 HA THR 48 HA THR 48 -2.189 10.862 -2.778 355 HB THR 48 HB THR 48 -1.499 9.812 -0.007 356 HG1 THR 48 HG1 THR 48 -2.534 8.854 -2.086 357 HG21 THR 48 HG21 THR 48 -3.925 11.491 -0.781 358 HG22 THR 48 HG22 THR 48 -2.657 11.954 0.382 359 HG23 THR 48 HG23 THR 48 -3.726 10.589 0.732 360 H PHE 49 H PHE 49 -2.497 13.060 -2.243 361 HA PHE 49 HA PHE 49 -0.195 14.543 -1.153 362 HB2 PHE 49 HB1 PHE 49 0.238 15.794 -3.143 363 HB3 PHE 49 HB2 PHE 49 0.408 14.080 -3.491 364 HD1 PHE 49 HD1 PHE 49 -1.715 12.949 -4.638 365 HD2 PHE 49 HD2 PHE 49 -0.955 17.168 -4.603 366 HE1 PHE 49 HE1 PHE 49 -3.157 13.211 -6.621 367 HE2 PHE 49 HE2 PHE 49 -2.465 17.438 -6.570 368 HZ PHE 49 HZ PHE 49 -3.603 15.475 -7.550 369 H MET 50 H MET 50 -0.419 16.877 -1.351 370 HA MET 50 HA MET 50 -3.191 17.818 -0.801 371 HB2 MET 50 HB1 MET 50 -1.573 18.094 1.031 372 HB3 MET 50 HB2 MET 50 -0.491 19.012 -0.036 373 HG2 MET 50 HG1 MET 50 -2.176 20.730 -0.342 374 HG3 MET 50 HG2 MET 50 -3.366 19.765 0.548 375 HE1 MET 50 HE1 MET 50 0.521 20.674 1.703 376 HE2 MET 50 HE2 MET 50 -0.192 21.800 0.519 377 HE3 MET 50 HE3 MET 50 0.066 22.314 2.202 378 H ARG 51 H ARG 51 -4.086 19.406 -2.028 379 HA ARG 51 HA ARG 51 -2.496 20.978 -3.913 380 HB2 ARG 51 HB1 ARG 51 -3.682 18.643 -4.744 381 HB3 ARG 51 HB2 ARG 51 -5.014 19.762 -5.027 382 HG2 ARG 51 HG1 ARG 51 -3.585 19.423 -7.031 383 HG3 ARG 51 HG2 ARG 51 -3.591 21.110 -6.498 384 HD2 ARG 51 HD1 ARG 51 -1.381 21.033 -5.788 385 HD3 ARG 51 HD2 ARG 51 -1.467 19.295 -5.426 386 HE ARG 51 HE ARG 51 -1.589 19.940 -8.268 387 HH11 ARG 51 HH12 ARG 51 0.525 19.096 -5.560 388 HH12 ARG 51 HH11 ARG 51 1.781 18.479 -6.589 389 HH21 ARG 51 HH22 ARG 51 0.156 19.321 -9.565 390 HH22 ARG 51 HH21 ARG 51 1.580 18.632 -8.844 391 H GLU 52 H GLU 52 -4.100 22.567 -5.158 392 HA GLU 52 HA GLU 52 -6.288 23.543 -3.506 393 HB2 GLU 52 HB1 GLU 52 -4.326 24.629 -2.603 394 HB3 GLU 52 HB2 GLU 52 -3.695 24.988 -4.217 395 HG2 GLU 52 HG1 GLU 52 -5.026 26.809 -4.459 396 HG3 GLU 52 HG2 GLU 52 -6.422 25.999 -3.714 397 H VAL 53 H VAL 53 -7.866 24.280 -4.790 398 HA VAL 53 HA VAL 53 -7.475 24.740 -7.688 399 HB VAL 53 HB VAL 53 -9.346 23.091 -8.151 400 HG11 VAL 53 HG11 VAL 53 -6.766 21.794 -7.169 401 HG12 VAL 53 HG12 VAL 53 -7.900 21.164 -8.374 402 HG13 VAL 53 HG13 VAL 53 -6.968 22.628 -8.725 403 HG21 VAL 53 HG21 VAL 53 -10.083 22.695 -5.746 404 HG22 VAL 53 HG22 VAL 53 -9.695 21.199 -6.610 405 HG23 VAL 53 HG23 VAL 53 -8.542 21.882 -5.449 406 H GLU 54 H GLU 54 -9.032 26.091 -8.482 407 HA GLU 54 HA GLU 54 -10.423 27.868 -8.426 408 HB2 GLU 54 HB1 GLU 54 -12.020 26.333 -6.356 409 HB3 GLU 54 HB2 GLU 54 -12.611 27.650 -7.399 410 HG2 GLU 54 HG1 GLU 54 -13.259 26.169 -8.923 411 HG3 GLU 54 HG2 GLU 54 -11.609 25.571 -9.121 412 H GLY 55 H GLY 55 -8.313 27.594 -6.180 413 HA2 GLY 55 HA3 GLY 55 -7.499 29.169 -4.623 414 HA3 GLY 55 HA2 GLY 55 -9.071 30.000 -4.655 415 H LYS 56 H LYS 56 -9.093 26.512 -4.102 416 HA LYS 56 HA LYS 56 -9.133 26.860 -1.202 417 HB2 LYS 56 HB1 LYS 56 -11.044 25.273 -1.018 418 HB3 LYS 56 HB2 LYS 56 -11.437 26.912 -1.592 419 HG2 LYS 56 HG1 LYS 56 -11.593 26.147 -3.867 420 HG3 LYS 56 HG2 LYS 56 -10.983 24.542 -3.411 421 HD2 LYS 56 HD1 LYS 56 -13.010 24.031 -2.214 422 HD3 LYS 56 HD2 LYS 56 -13.578 25.719 -2.367 423 HE2 LYS 56 HE1 LYS 56 -14.745 24.300 -3.969 424 HE3 LYS 56 HE2 LYS 56 -13.698 25.466 -4.818 425 HZ1 LYS 56 HZ1 LYS 56 -13.508 23.401 -5.846 426 HZ2 LYS 56 HZ2 LYS 56 -13.121 22.576 -4.457 427 HZ3 LYS 56 HZ3 LYS 56 -12.114 23.684 -5.191 428 H LYS 57 H LYS 57 -8.116 25.440 -0.178 429 HA LYS 57 HA LYS 57 -6.430 23.486 -1.312 430 HB2 LYS 57 HB1 LYS 57 -7.072 23.882 1.635 431 HB3 LYS 57 HB2 LYS 57 -5.614 23.136 0.934 432 HG2 LYS 57 HG1 LYS 57 -5.197 25.328 -0.254 433 HG3 LYS 57 HG2 LYS 57 -6.509 26.036 0.713 434 HD2 LYS 57 HD1 LYS 57 -5.074 25.299 2.750 435 HD3 LYS 57 HD2 LYS 57 -3.755 25.182 1.564 436 HE2 LYS 57 HE1 LYS 57 -5.368 27.609 2.415 437 HE3 LYS 57 HE2 LYS 57 -3.613 27.401 2.439 438 HZ1 LYS 57 HZ1 LYS 57 -3.778 27.453 -0.097 439 HZ2 LYS 57 HZ2 LYS 57 -4.278 28.855 0.601 440 HZ3 LYS 57 HZ3 LYS 57 -5.313 27.743 -0.001 441 H VAL 58 H VAL 58 -6.401 21.369 -1.172 442 HA VAL 58 HA VAL 58 -8.611 19.713 -0.187 443 HB VAL 58 HB VAL 58 -9.287 20.789 -2.433 444 HG11 VAL 58 HG11 VAL 58 -7.177 20.522 -3.653 445 HG12 VAL 58 HG12 VAL 58 -7.339 18.752 -3.589 446 HG13 VAL 58 HG13 VAL 58 -8.515 19.715 -4.487 447 HG21 VAL 58 HG21 VAL 58 -10.460 18.864 -1.414 448 HG22 VAL 58 HG22 VAL 58 -10.503 18.874 -3.184 449 HG23 VAL 58 HG23 VAL 58 -9.421 17.758 -2.341 450 H MET 59 H MET 59 -8.192 17.340 -0.998 451 HA MET 59 HA MET 59 -5.269 16.780 -1.280 452 HB2 MET 59 HB1 MET 59 -7.337 15.226 0.296 453 HB3 MET 59 HB2 MET 59 -5.767 14.547 -0.216 454 HG2 MET 59 HG1 MET 59 -4.598 16.389 0.941 455 HG3 MET 59 HG2 MET 59 -6.150 17.012 1.525 456 HE1 MET 59 HE1 MET 59 -5.523 16.853 4.261 457 HE2 MET 59 HE2 MET 59 -4.266 15.659 4.650 458 HE3 MET 59 HE3 MET 59 -4.006 16.813 3.326 459 H GLY 60 H GLY 60 -4.715 15.039 -2.546 460 HA2 GLY 60 HA3 GLY 60 -6.709 14.019 -4.485 461 HA3 GLY 60 HA2 GLY 60 -5.197 14.750 -5.069 462 H MET 61 H MET 61 -5.609 12.275 -5.857 463 HA MET 61 HA MET 61 -3.362 10.800 -4.722 464 HB2 MET 61 HB1 MET 61 -4.996 9.759 -3.366 465 HB3 MET 61 HB2 MET 61 -6.252 9.916 -4.615 466 HG2 MET 61 HG1 MET 61 -4.954 8.173 -5.922 467 HG3 MET 61 HG2 MET 61 -4.030 7.880 -4.460 468 HE1 MET 61 HE1 MET 61 -7.507 8.686 -3.060 469 HE2 MET 61 HE2 MET 61 -7.575 7.087 -2.279 470 HE3 MET 61 HE3 MET 61 -6.101 8.080 -2.146 471 H ARG 62 H ARG 62 -2.323 9.656 -6.081 472 HA ARG 62 HA ARG 62 -3.244 9.482 -8.897 473 HB2 ARG 62 HB1 ARG 62 -1.379 11.300 -7.590 474 HB3 ARG 62 HB2 ARG 62 -0.477 10.318 -8.731 475 HG2 ARG 62 HG1 ARG 62 -2.818 11.093 -10.120 476 HG3 ARG 62 HG2 ARG 62 -2.389 12.522 -9.143 477 HD2 ARG 62 HD1 ARG 62 -1.395 12.564 -11.432 478 HD3 ARG 62 HD2 ARG 62 -0.186 12.610 -10.123 479 HE ARG 62 HE ARG 62 -0.092 10.037 -10.582 480 HH11 ARG 62 HH12 ARG 62 -0.250 12.519 -13.089 481 HH12 ARG 62 HH11 ARG 62 0.660 11.553 -14.213 482 HH21 ARG 62 HH22 ARG 62 1.016 8.859 -11.996 483 HH22 ARG 62 HH21 ARG 62 1.356 9.446 -13.606 484 HA PRO 63 HA PRO 63 -0.845 5.706 -8.688 485 HB2 PRO 63 HB1 PRO 63 -0.759 4.900 -11.249 486 HB3 PRO 63 HB2 PRO 63 -2.294 4.924 -10.328 487 HG2 PRO 63 HG1 PRO 63 -1.248 7.048 -12.225 488 HG3 PRO 63 HG2 PRO 63 -2.879 6.281 -12.207 489 HD2 PRO 63 HD1 PRO 63 -2.357 8.699 -10.988 490 HD3 PRO 63 HD2 PRO 63 -3.535 7.527 -10.325 491 H VAL 64 H VAL 64 1.213 4.900 -9.124 492 HA VAL 64 HA VAL 64 3.195 6.733 -10.387 493 HB VAL 64 HB VAL 64 4.690 6.591 -8.436 494 HG11 VAL 64 HG11 VAL 64 2.019 7.780 -7.658 495 HG12 VAL 64 HG12 VAL 64 3.624 8.251 -7.067 496 HG13 VAL 64 HG13 VAL 64 3.193 8.540 -8.758 497 HG21 VAL 64 HG21 VAL 64 2.379 5.307 -6.938 498 HG22 VAL 64 HG22 VAL 64 3.967 4.579 -7.313 499 HG23 VAL 64 HG23 VAL 64 3.860 5.946 -6.206 500 HA PRO 65 HA PRO 65 4.681 3.044 -12.038 501 HB2 PRO 65 HB1 PRO 65 7.206 3.566 -12.800 502 HB3 PRO 65 HB2 PRO 65 5.823 4.520 -13.416 503 HG2 PRO 65 HG1 PRO 65 7.692 5.221 -11.134 504 HG3 PRO 65 HG2 PRO 65 7.201 6.259 -12.523 505 HD2 PRO 65 HD1 PRO 65 5.976 6.379 -10.066 506 HD3 PRO 65 HD2 PRO 65 5.084 6.646 -11.584 507 H PHE 66 H PHE 66 6.473 4.053 -9.222 508 HA PHE 66 HA PHE 66 6.712 1.487 -8.084 509 HB2 PHE 66 HB1 PHE 66 9.108 1.099 -8.156 510 HB3 PHE 66 HB2 PHE 66 8.420 1.022 -9.770 511 HD1 PHE 66 HD2 PHE 66 10.488 2.989 -7.434 512 HD2 PHE 66 HD1 PHE 66 8.955 2.696 -11.425 513 HE1 PHE 66 HE2 PHE 66 11.874 4.929 -8.051 514 HE2 PHE 66 HE1 PHE 66 10.504 4.552 -12.145 515 HZ PHE 66 HZ PHE 66 11.934 5.691 -10.455 516 H LEU 67 H LEU 67 7.997 1.534 -6.128 517 HA LEU 67 HA LEU 67 8.662 4.243 -5.024 518 HB2 LEU 67 HB1 LEU 67 8.032 1.738 -3.441 519 HB3 LEU 67 HB2 LEU 67 8.338 3.358 -2.803 520 HG LEU 67 HG LEU 67 5.887 2.305 -4.248 521 HD11 LEU 67 HD11 LEU 67 6.333 3.664 -1.552 522 HD12 LEU 67 HD12 LEU 67 6.129 1.920 -1.819 523 HD13 LEU 67 HD13 LEU 67 4.791 3.033 -2.174 524 HD21 LEU 67 HD21 LEU 67 6.438 5.218 -3.536 525 HD22 LEU 67 HD22 LEU 67 4.883 4.533 -4.089 526 HD23 LEU 67 HD23 LEU 67 6.259 4.563 -5.179 527 H GLU 68 H GLU 68 10.621 4.285 -3.718 528 HA GLU 68 HA GLU 68 12.459 1.952 -4.044 529 HB2 GLU 68 HB1 GLU 68 13.302 3.704 -5.438 530 HB3 GLU 68 HB2 GLU 68 13.101 4.921 -4.169 531 HG2 GLU 68 HG1 GLU 68 14.952 4.142 -2.954 532 HG3 GLU 68 HG2 GLU 68 14.860 2.514 -3.683 533 H VAL 69 H VAL 69 13.615 1.360 -2.237 534 HA VAL 69 HA VAL 69 13.377 3.059 0.140 535 HB VAL 69 HB VAL 69 12.813 0.049 0.214 536 HG11 VAL 69 HG11 VAL 69 14.008 0.704 2.262 537 HG12 VAL 69 HG12 VAL 69 12.843 2.016 2.539 538 HG13 VAL 69 HG13 VAL 69 12.328 0.323 2.622 539 HG21 VAL 69 HG21 VAL 69 10.825 1.189 -0.570 540 HG22 VAL 69 HG22 VAL 69 10.561 0.714 1.106 541 HG23 VAL 69 HG23 VAL 69 10.946 2.402 0.730 542 HA PRO 70 HA PRO 70 17.724 2.238 0.009 543 HB2 PRO 70 HB1 PRO 70 18.563 3.487 2.290 544 HB3 PRO 70 HB2 PRO 70 17.940 4.382 0.870 545 HG2 PRO 70 HG1 PRO 70 16.400 3.536 3.349 546 HG3 PRO 70 HG2 PRO 70 16.486 5.176 2.610 547 HD2 PRO 70 HD1 PRO 70 14.431 3.491 2.060 548 HD3 PRO 70 HD2 PRO 70 15.146 4.505 0.775 549 HA PRO 71 HA PRO 71 18.707 -1.369 2.407 550 HB2 PRO 71 HB1 PRO 71 21.317 -1.002 3.201 551 HB3 PRO 71 HB2 PRO 71 20.753 -1.493 1.573 552 HG2 PRO 71 HG1 PRO 71 21.542 1.258 2.517 553 HG3 PRO 71 HG2 PRO 71 21.979 0.429 0.975 554 HD2 PRO 71 HD1 PRO 71 19.967 2.253 1.091 555 HD3 PRO 71 HD2 PRO 71 19.858 0.796 0.063 556 H LYS 72 H LYS 72 18.577 -2.197 4.386 557 HA LYS 72 HA LYS 72 18.038 -2.369 6.566 558 HB2 LYS 72 HB1 LYS 72 19.696 0.102 7.088 559 HB3 LYS 72 HB2 LYS 72 19.321 -1.212 8.219 560 HG2 LYS 72 HG1 LYS 72 21.061 -1.404 5.731 561 HG3 LYS 72 HG2 LYS 72 21.613 -1.336 7.414 562 HD2 LYS 72 HD1 LYS 72 20.699 -3.544 7.860 563 HD3 LYS 72 HD2 LYS 72 19.869 -3.572 6.277 564 HE2 LYS 72 HE1 LYS 72 22.060 -3.405 5.144 565 HE3 LYS 72 HE2 LYS 72 22.892 -3.530 6.691 566 HZ1 LYS 72 HZ1 LYS 72 22.687 -5.619 5.448 567 HZ2 LYS 72 HZ2 LYS 72 21.054 -5.581 5.584 568 HZ3 LYS 72 HZ3 LYS 72 21.992 -5.744 6.931 569 H GLY 73 H GLY 73 16.898 0.032 4.784 570 HA2 GLY 73 HA3 GLY 73 15.493 1.659 6.687 571 HA3 GLY 73 HA2 GLY 73 15.236 1.628 4.927 572 H ARG 74 H ARG 74 13.737 1.366 7.717 573 HA ARG 74 HA ARG 74 11.464 -0.316 6.751 574 HB2 ARG 74 HB1 ARG 74 12.316 0.909 9.317 575 HB3 ARG 74 HB2 ARG 74 10.607 1.176 8.971 576 HG2 ARG 74 HG1 ARG 74 11.712 -1.613 8.752 577 HG3 ARG 74 HG2 ARG 74 11.386 -0.906 10.361 578 HD2 ARG 74 HD1 ARG 74 9.107 -0.412 9.750 579 HD3 ARG 74 HD2 ARG 74 9.402 -1.140 8.164 580 HE ARG 74 HE ARG 74 10.016 -3.246 9.652 581 HH11 ARG 74 HH12 ARG 74 7.306 -1.108 10.651 582 HH12 ARG 74 HH11 ARG 74 6.320 -2.542 10.831 583 HH21 ARG 74 HH22 ARG 74 8.712 -4.818 10.141 584 HH22 ARG 74 HH21 ARG 74 7.024 -4.490 10.663 585 H VAL 75 H VAL 75 10.078 0.700 5.439 586 HA VAL 75 HA VAL 75 9.326 3.523 5.873 587 HB VAL 75 HB VAL 75 10.339 2.760 3.100 588 HG11 VAL 75 HG11 VAL 75 8.420 4.339 3.022 589 HG12 VAL 75 HG12 VAL 75 9.229 5.390 4.201 590 HG13 VAL 75 HG13 VAL 75 9.914 5.164 2.578 591 HG21 VAL 75 HG21 VAL 75 12.281 3.189 4.540 592 HG22 VAL 75 HG22 VAL 75 12.056 4.500 3.384 593 HG23 VAL 75 HG23 VAL 75 11.560 4.729 5.072 594 H GLU 76 H GLU 76 7.294 2.889 6.366 595 HA GLU 76 HA GLU 76 5.859 0.961 4.773 596 HB2 GLU 76 HB1 GLU 76 4.178 2.788 6.384 597 HB3 GLU 76 HB2 GLU 76 4.170 1.019 6.328 598 HG2 GLU 76 HG1 GLU 76 4.712 1.606 8.543 599 HG3 GLU 76 HG2 GLU 76 6.234 1.077 7.817 600 H LEU 77 H LEU 77 4.249 1.145 3.344 601 HA LEU 77 HA LEU 77 3.658 3.627 1.897 602 HB2 LEU 77 HB1 LEU 77 2.593 0.776 1.911 603 HB3 LEU 77 HB2 LEU 77 1.821 2.105 1.015 604 HG LEU 77 HG LEU 77 4.341 2.367 0.092 605 HD11 LEU 77 HD11 LEU 77 4.089 -0.643 0.250 606 HD12 LEU 77 HD12 LEU 77 5.098 0.284 1.393 607 HD13 LEU 77 HD13 LEU 77 5.437 0.305 -0.347 608 HD21 LEU 77 HD21 LEU 77 2.461 2.234 -1.375 609 HD22 LEU 77 HD22 LEU 77 2.131 0.553 -0.917 610 HD23 LEU 77 HD23 LEU 77 3.567 0.955 -1.886 611 H LYS 78 H LYS 78 2.934 5.102 3.289 612 HA LYS 78 HA LYS 78 1.211 4.278 5.532 613 HB2 LYS 78 HB1 LYS 78 1.998 6.409 6.540 614 HB3 LYS 78 HB2 LYS 78 3.271 5.241 6.138 615 HG2 LYS 78 HG1 LYS 78 3.779 6.608 4.082 616 HG3 LYS 78 HG2 LYS 78 2.554 7.795 4.602 617 HD2 LYS 78 HD1 LYS 78 4.401 8.772 5.514 618 HD3 LYS 78 HD2 LYS 78 3.988 7.741 6.876 619 HE2 LYS 78 HE1 LYS 78 6.126 7.241 4.758 620 HE3 LYS 78 HE2 LYS 78 6.398 7.742 6.442 621 HZ1 LYS 78 HZ1 LYS 78 5.412 5.118 5.495 622 HZ2 LYS 78 HZ2 LYS 78 5.453 5.515 7.092 623 HZ3 LYS 78 HZ3 LYS 78 6.825 5.416 6.247 624 HA PRO 79 HA PRO 79 -2.403 6.514 4.206 625 HB2 PRO 79 HB1 PRO 79 -3.503 7.352 6.577 626 HB3 PRO 79 HB2 PRO 79 -3.557 5.657 6.002 627 HG2 PRO 79 HG1 PRO 79 -1.583 6.906 7.932 628 HG3 PRO 79 HG2 PRO 79 -2.494 5.364 8.122 629 HD2 PRO 79 HD1 PRO 79 0.078 5.388 7.237 630 HD3 PRO 79 HD2 PRO 79 -1.123 4.266 6.533 631 H GLY 80 H GLY 80 -2.976 8.613 3.675 632 HA2 GLY 80 HA3 GLY 80 -2.668 10.914 3.436 633 HA3 GLY 80 HA2 GLY 80 -1.433 10.885 4.716 634 H GLY 81 H GLY 81 -0.460 8.430 2.742 635 HA2 GLY 81 HA3 GLY 81 0.556 9.985 0.470 636 HA3 GLY 81 HA2 GLY 81 1.785 9.308 1.562 637 H TYR 82 H TYR 82 2.667 7.519 0.691 638 HA TYR 82 HA TYR 82 1.445 6.385 -1.617 639 HB2 TYR 82 HB1 TYR 82 3.855 5.499 -0.016 640 HB3 TYR 82 HB2 TYR 82 3.375 4.809 -1.585 641 HD1 TYR 82 HD2 TYR 82 3.300 6.244 -3.612 642 HD2 TYR 82 HD1 TYR 82 5.108 7.569 0.065 643 HE1 TYR 82 HE2 TYR 82 4.643 7.873 -4.870 644 HE2 TYR 82 HE1 TYR 82 6.406 9.276 -1.187 645 HH TYR 82 HH TYR 82 6.910 10.156 -3.270 646 H HIS 83 H HIS 83 0.595 4.448 -2.115 647 HA HIS 83 HA HIS 83 0.201 2.289 -0.210 648 HB2 HIS 83 HB1 HIS 83 -2.141 2.495 0.193 649 HB3 HIS 83 HB2 HIS 83 -1.273 3.925 0.776 650 HD1 HIS 83 HD1 HIS 83 -1.676 6.237 -0.711 651 HD2 HIS 83 HD2 HIS 83 -3.847 2.797 -1.814 652 HE1 HIS 83 HE1 HIS 83 -3.357 6.954 -2.493 653 H PHE 84 H PHE 84 -1.053 0.470 -1.027 654 HA PHE 84 HA PHE 84 -1.268 0.464 -3.991 655 HB2 PHE 84 HB1 PHE 84 -1.506 -1.706 -1.893 656 HB3 PHE 84 HB2 PHE 84 -1.904 -1.946 -3.607 657 HD1 PHE 84 HD1 PHE 84 -0.136 -1.758 -5.359 658 HD2 PHE 84 HD2 PHE 84 0.798 -1.493 -1.164 659 HE1 PHE 84 HE1 PHE 84 2.259 -2.078 -5.876 660 HE2 PHE 84 HE2 PHE 84 3.204 -1.761 -1.687 661 HZ PHE 84 HZ PHE 84 3.945 -2.068 -4.028 662 H MET 85 H MET 85 -3.182 0.473 -5.019 663 HA MET 85 HA MET 85 -5.766 0.574 -3.563 664 HB2 MET 85 HB1 MET 85 -4.965 1.944 -5.797 665 HB3 MET 85 HB2 MET 85 -5.819 0.560 -6.506 666 HG2 MET 85 HG1 MET 85 -7.422 2.316 -6.159 667 HG3 MET 85 HG2 MET 85 -7.749 1.037 -4.981 668 HE1 MET 85 HE1 MET 85 -9.244 2.335 -3.523 669 HE2 MET 85 HE2 MET 85 -8.907 3.883 -2.726 670 HE3 MET 85 HE3 MET 85 -9.200 3.838 -4.480 671 H LEU 86 H LEU 86 -7.116 -1.203 -3.657 672 HA LEU 86 HA LEU 86 -6.141 -3.704 -5.027 673 HB2 LEU 86 HB1 LEU 86 -7.487 -3.177 -2.357 674 HB3 LEU 86 HB2 LEU 86 -7.600 -4.764 -3.176 675 HG LEU 86 HG LEU 86 -5.288 -5.166 -2.941 676 HD11 LEU 86 HD11 LEU 86 -4.968 -2.404 -1.700 677 HD12 LEU 86 HD12 LEU 86 -4.208 -3.007 -3.195 678 HD13 LEU 86 HD13 LEU 86 -3.752 -3.707 -1.657 679 HD21 LEU 86 HD21 LEU 86 -5.164 -5.271 -0.466 680 HD22 LEU 86 HD22 LEU 86 -6.811 -5.618 -1.020 681 HD23 LEU 86 HD23 LEU 86 -6.423 -4.028 -0.339 682 H LEU 87 H LEU 87 -7.593 -4.584 -6.473 683 HA LEU 87 HA LEU 87 -10.463 -3.798 -6.223 684 HB2 LEU 87 HB1 LEU 87 -8.860 -4.010 -8.793 685 HB3 LEU 87 HB2 LEU 87 -10.611 -3.706 -8.649 686 HG LEU 87 HG LEU 87 -9.706 -1.608 -7.205 687 HD11 LEU 87 HD11 LEU 87 -7.270 -2.138 -7.517 688 HD12 LEU 87 HD12 LEU 87 -7.716 -0.610 -8.282 689 HD13 LEU 87 HD13 LEU 87 -7.496 -2.064 -9.273 690 HD21 LEU 87 HD21 LEU 87 -11.209 -1.485 -9.116 691 HD22 LEU 87 HD22 LEU 87 -9.849 -1.757 -10.236 692 HD23 LEU 87 HD23 LEU 87 -9.937 -0.263 -9.267 693 H GLY 88 H GLY 88 -11.916 -5.327 -6.387 694 HA2 GLY 88 HA3 GLY 88 -12.996 -7.222 -7.108 695 HA3 GLY 88 HA2 GLY 88 -11.546 -7.700 -8.020 696 H LEU 89 H LEU 89 -12.061 -7.117 -4.511 697 HA LEU 89 HA LEU 89 -10.377 -9.180 -3.655 698 HB2 LEU 89 HB1 LEU 89 -11.633 -9.028 -1.457 699 HB3 LEU 89 HB2 LEU 89 -10.692 -7.656 -2.062 700 HG LEU 89 HG LEU 89 -12.746 -6.467 -2.630 701 HD11 LEU 89 HD11 LEU 89 -14.202 -8.958 -1.632 702 HD12 LEU 89 HD12 LEU 89 -14.281 -8.251 -3.266 703 HD13 LEU 89 HD13 LEU 89 -14.975 -7.381 -1.899 704 HD21 LEU 89 HD21 LEU 89 -12.843 -7.674 0.150 705 HD22 LEU 89 HD22 LEU 89 -13.539 -6.120 -0.328 706 HD23 LEU 89 HD23 LEU 89 -11.784 -6.329 -0.351 707 H LYS 90 H LYS 90 -10.478 -11.020 -2.677 708 HA LYS 90 HA LYS 90 -12.591 -12.816 -3.809 709 HB2 LYS 90 HB1 LYS 90 -9.834 -13.636 -2.903 710 HB3 LYS 90 HB2 LYS 90 -11.013 -14.571 -3.864 711 HG2 LYS 90 HG1 LYS 90 -9.350 -12.192 -4.758 712 HG3 LYS 90 HG2 LYS 90 -9.338 -13.860 -5.384 713 HD2 LYS 90 HD1 LYS 90 -11.780 -13.502 -6.013 714 HD3 LYS 90 HD2 LYS 90 -11.492 -11.783 -5.599 715 HE2 LYS 90 HE1 LYS 90 -9.758 -11.699 -7.387 716 HE3 LYS 90 HE2 LYS 90 -10.198 -13.352 -7.851 717 HZ1 LYS 90 HZ1 LYS 90 -12.506 -12.486 -8.169 718 HZ2 LYS 90 HZ2 LYS 90 -11.479 -11.740 -9.181 719 HZ3 LYS 90 HZ3 LYS 90 -11.960 -10.966 -7.834 720 H ARG 91 H ARG 91 -11.858 -11.567 -0.800 721 HA ARG 91 HA ARG 91 -13.852 -13.372 0.336 722 HB2 ARG 91 HB1 ARG 91 -12.528 -13.766 2.369 723 HB3 ARG 91 HB2 ARG 91 -11.803 -14.437 0.870 724 HG2 ARG 91 HG1 ARG 91 -10.168 -12.695 0.793 725 HG3 ARG 91 HG2 ARG 91 -10.877 -11.869 2.185 726 HD2 ARG 91 HD1 ARG 91 -9.610 -14.633 2.242 727 HD3 ARG 91 HD2 ARG 91 -8.807 -13.128 2.734 728 HE ARG 91 HE ARG 91 -10.719 -14.697 4.251 729 HH11 ARG 91 HH12 ARG 91 -9.395 -11.383 4.002 730 HH12 ARG 91 HH11 ARG 91 -10.057 -10.963 5.567 731 HH21 ARG 91 HH22 ARG 91 -11.324 -14.076 6.315 732 HH22 ARG 91 HH21 ARG 91 -11.160 -12.400 6.766 733 HA PRO 92 HA PRO 92 -15.054 -9.411 2.144 734 HB2 PRO 92 HB1 PRO 92 -17.152 -10.188 3.683 735 HB3 PRO 92 HB2 PRO 92 -17.239 -10.174 1.894 736 HG2 PRO 92 HG1 PRO 92 -16.675 -12.527 3.716 737 HG3 PRO 92 HG2 PRO 92 -17.817 -12.446 2.326 738 HD2 PRO 92 HD1 PRO 92 -15.271 -13.483 2.128 739 HD3 PRO 92 HD2 PRO 92 -16.072 -12.634 0.776 740 H LEU 93 H LEU 93 -14.349 -8.320 3.944 741 HA LEU 93 HA LEU 93 -12.683 -9.847 5.770 742 HB2 LEU 93 HB1 LEU 93 -12.866 -6.886 5.079 743 HB3 LEU 93 HB2 LEU 93 -11.635 -7.650 6.129 744 HG LEU 93 HG LEU 93 -11.254 -9.136 3.915 745 HD11 LEU 93 HD11 LEU 93 -12.093 -6.393 2.847 746 HD12 LEU 93 HD12 LEU 93 -12.933 -7.922 2.525 747 HD13 LEU 93 HD13 LEU 93 -11.292 -7.679 1.924 748 HD21 LEU 93 HD21 LEU 93 -10.066 -6.359 4.330 749 HD22 LEU 93 HD22 LEU 93 -9.355 -7.679 3.375 750 HD23 LEU 93 HD23 LEU 93 -9.535 -7.861 5.122 751 H LYS 94 H LYS 94 -12.438 -8.095 7.697 752 HA LYS 94 HA LYS 94 -14.987 -7.327 8.956 753 HB2 LYS 94 HB1 LYS 94 -12.886 -8.447 10.774 754 HB3 LYS 94 HB2 LYS 94 -14.589 -8.153 11.121 755 HG2 LYS 94 HG1 LYS 94 -13.423 -10.446 9.544 756 HG3 LYS 94 HG2 LYS 94 -14.002 -10.486 11.225 757 HD2 LYS 94 HD1 LYS 94 -16.192 -10.607 10.609 758 HD3 LYS 94 HD2 LYS 94 -15.985 -9.667 9.134 759 HE2 LYS 94 HE1 LYS 94 -15.023 -12.536 9.554 760 HE3 LYS 94 HE2 LYS 94 -16.510 -12.066 8.701 761 HZ1 LYS 94 HZ1 LYS 94 -14.771 -12.419 7.083 762 HZ2 LYS 94 HZ2 LYS 94 -13.717 -11.457 7.893 763 HZ3 LYS 94 HZ3 LYS 94 -15.021 -10.801 7.166 764 H ALA 95 H ALA 95 -14.448 -5.880 10.833 765 HA ALA 95 HA ALA 95 -11.670 -4.793 10.841 766 HB1 ALA 95 HB1 ALA 95 -14.033 -4.027 12.606 767 HB2 ALA 95 HB2 ALA 95 -12.371 -3.422 12.735 768 HB3 ALA 95 HB3 ALA 95 -13.340 -3.033 11.291 769 H GLY 96 H GLY 96 -10.277 -5.812 12.094 770 HA2 GLY 96 HA3 GLY 96 -9.524 -7.251 13.852 771 HA3 GLY 96 HA2 GLY 96 -11.178 -7.875 14.037 772 H GLU 97 H GLU 97 -8.866 -7.497 11.369 773 HA GLU 97 HA GLU 97 -8.428 -10.391 11.240 774 HB2 GLU 97 HB1 GLU 97 -8.824 -8.920 8.634 775 HB3 GLU 97 HB2 GLU 97 -8.620 -10.665 8.902 776 HG2 GLU 97 HG1 GLU 97 -10.883 -10.644 10.034 777 HG3 GLU 97 HG2 GLU 97 -11.065 -8.971 9.462 778 H GLU 98 H GLU 98 -6.601 -10.834 9.724 779 HA GLU 98 HA GLU 98 -4.448 -8.785 9.649 780 HB2 GLU 98 HB1 GLU 98 -2.980 -10.541 10.597 781 HB3 GLU 98 HB2 GLU 98 -4.211 -9.916 11.711 782 HG2 GLU 98 HG1 GLU 98 -4.322 -12.605 10.292 783 HG3 GLU 98 HG2 GLU 98 -3.786 -12.326 11.971 784 H VAL 99 H VAL 99 -4.405 -8.579 7.416 785 HA VAL 99 HA VAL 99 -4.701 -11.098 5.812 786 HB VAL 99 HB VAL 99 -5.730 -8.303 5.257 787 HG11 VAL 99 HG11 VAL 99 -5.207 -9.335 3.093 788 HG12 VAL 99 HG12 VAL 99 -5.997 -10.852 3.586 789 HG13 VAL 99 HG13 VAL 99 -6.953 -9.373 3.349 790 HG21 VAL 99 HG21 VAL 99 -7.088 -10.963 5.949 791 HG22 VAL 99 HG22 VAL 99 -6.981 -9.536 7.001 792 HG23 VAL 99 HG23 VAL 99 -7.940 -9.472 5.513 793 H GLU 100 H GLU 100 -3.646 -11.475 4.002 794 HA GLU 100 HA GLU 100 -0.922 -10.659 4.075 795 HB2 GLU 100 HB1 GLU 100 -2.272 -12.327 1.947 796 HB3 GLU 100 HB2 GLU 100 -0.547 -12.314 2.384 797 HG2 GLU 100 HG1 GLU 100 -1.194 -13.246 4.636 798 HG3 GLU 100 HG2 GLU 100 -2.863 -13.400 4.049 799 H LEU 101 H LEU 101 0.345 -9.539 2.764 800 HA LEU 101 HA LEU 101 -0.524 -8.817 0.017 801 HB2 LEU 101 HB1 LEU 101 0.627 -7.025 2.119 802 HB3 LEU 101 HB2 LEU 101 1.343 -6.915 0.487 803 HG LEU 101 HG LEU 101 -0.356 -5.212 1.018 804 HD11 LEU 101 HD11 LEU 101 -0.943 -6.951 -1.386 805 HD12 LEU 101 HD12 LEU 101 0.278 -5.673 -1.265 806 HD13 LEU 101 HD13 LEU 101 -1.443 -5.263 -1.173 807 HD21 LEU 101 HD21 LEU 101 -2.526 -7.252 0.602 808 HD22 LEU 101 HD22 LEU 101 -2.663 -5.567 1.090 809 HD23 LEU 101 HD23 LEU 101 -1.988 -6.763 2.216 810 H ASP 102 H ASP 102 0.976 -9.203 -1.478 811 HA ASP 102 HA ASP 102 3.640 -10.371 -0.773 812 HB2 ASP 102 HB1 ASP 102 1.666 -10.882 -3.016 813 HB3 ASP 102 HB2 ASP 102 3.353 -11.385 -3.128 814 H LEU 103 H LEU 103 5.279 -8.981 -1.354 815 HA LEU 103 HA LEU 103 4.714 -6.532 -2.857 816 HB2 LEU 103 HB1 LEU 103 6.901 -7.677 -1.081 817 HB3 LEU 103 HB2 LEU 103 7.055 -6.092 -1.863 818 HG LEU 103 HG LEU 103 5.511 -5.107 -0.490 819 HD11 LEU 103 HD11 LEU 103 4.041 -6.149 1.149 820 HD12 LEU 103 HD12 LEU 103 4.484 -7.762 0.562 821 HD13 LEU 103 HD13 LEU 103 3.604 -6.620 -0.492 822 HD21 LEU 103 HD21 LEU 103 7.672 -5.816 0.605 823 HD22 LEU 103 HD22 LEU 103 6.830 -7.211 1.284 824 HD23 LEU 103 HD23 LEU 103 6.350 -5.571 1.771 825 H LEU 104 H LEU 104 5.494 -6.180 -4.959 826 HA LEU 104 HA LEU 104 7.375 -8.194 -6.091 827 HB2 LEU 104 HB1 LEU 104 5.467 -6.300 -7.471 828 HB3 LEU 104 HB2 LEU 104 6.480 -7.507 -8.251 829 HG LEU 104 HG LEU 104 4.092 -7.964 -6.430 830 HD11 LEU 104 HD11 LEU 104 3.066 -8.961 -8.421 831 HD12 LEU 104 HD12 LEU 104 4.533 -8.623 -9.366 832 HD13 LEU 104 HD13 LEU 104 3.549 -7.287 -8.727 833 HD21 LEU 104 HD21 LEU 104 5.705 -9.762 -5.954 834 HD22 LEU 104 HD22 LEU 104 5.913 -10.067 -7.692 835 HD23 LEU 104 HD23 LEU 104 4.358 -10.400 -6.899 836 H PHE 105 H PHE 105 9.360 -7.594 -6.121 837 HA PHE 105 HA PHE 105 10.143 -4.727 -6.421 838 HB2 PHE 105 HB1 PHE 105 11.708 -7.139 -5.470 839 HB3 PHE 105 HB2 PHE 105 12.313 -5.476 -5.575 840 HD1 PHE 105 HD1 PHE 105 11.580 -3.761 -3.993 841 HD2 PHE 105 HD2 PHE 105 10.029 -7.788 -3.688 842 HE1 PHE 105 HE1 PHE 105 10.813 -3.300 -1.689 843 HE2 PHE 105 HE2 PHE 105 9.311 -7.314 -1.386 844 HZ PHE 105 HZ PHE 105 9.726 -5.091 -0.357 845 H ALA 106 H ALA 106 11.780 -4.176 -7.862 846 HA ALA 106 HA ALA 106 11.839 -5.282 -10.463 847 HB1 ALA 106 HB1 ALA 106 12.588 -2.992 -9.891 848 HB2 ALA 106 HB2 ALA 106 13.965 -3.666 -8.981 849 HB3 ALA 106 HB3 ALA 106 13.869 -3.882 -10.742 850 H GLY 107 H GLY 107 13.185 -6.722 -11.513 851 HA2 GLY 107 HA3 GLY 107 14.787 -8.435 -11.723 852 HA3 GLY 107 HA2 GLY 107 15.102 -8.359 -9.975 853 H GLY 108 H GLY 108 11.786 -8.454 -10.142 854 HA2 GLY 108 HA3 GLY 108 10.179 -10.117 -10.514 855 HA3 GLY 108 HA2 GLY 108 11.470 -11.295 -10.848 856 H LYS 109 H LYS 109 11.959 -9.528 -7.896 857 HA LYS 109 HA LYS 109 11.647 -11.932 -6.339 858 HB2 LYS 109 HB1 LYS 109 13.460 -10.321 -5.988 859 HB3 LYS 109 HB2 LYS 109 12.258 -9.048 -5.700 860 HG2 LYS 109 HG1 LYS 109 11.523 -10.135 -3.659 861 HG3 LYS 109 HG2 LYS 109 12.643 -11.477 -3.961 862 HD2 LYS 109 HD1 LYS 109 14.564 -9.963 -3.700 863 HD3 LYS 109 HD2 LYS 109 13.470 -8.562 -3.569 864 HE2 LYS 109 HE1 LYS 109 12.518 -9.469 -1.496 865 HE3 LYS 109 HE2 LYS 109 13.504 -10.937 -1.652 866 HZ1 LYS 109 HZ1 LYS 109 14.432 -9.284 -0.102 867 HZ2 LYS 109 HZ2 LYS 109 14.570 -8.191 -1.323 868 HZ3 LYS 109 HZ3 LYS 109 15.464 -9.570 -1.353 869 H VAL 110 H VAL 110 10.085 -12.454 -5.079 870 HA VAL 110 HA VAL 110 7.818 -10.645 -4.448 871 HB VAL 110 HB VAL 110 7.098 -12.434 -5.883 872 HG11 VAL 110 HG11 VAL 110 7.087 -14.780 -5.220 873 HG12 VAL 110 HG12 VAL 110 8.749 -14.183 -5.304 874 HG13 VAL 110 HG13 VAL 110 7.963 -14.402 -3.725 875 HG21 VAL 110 HG21 VAL 110 5.559 -11.531 -4.152 876 HG22 VAL 110 HG22 VAL 110 5.193 -13.205 -4.605 877 HG23 VAL 110 HG23 VAL 110 6.014 -12.866 -3.070 878 H LEU 111 H LEU 111 7.270 -10.356 -2.314 879 HA LEU 111 HA LEU 111 8.390 -12.152 -0.221 880 HB2 LEU 111 HB1 LEU 111 10.016 -10.333 -0.514 881 HB3 LEU 111 HB2 LEU 111 8.705 -9.132 -0.349 882 HG LEU 111 HG LEU 111 8.383 -9.819 2.011 883 HD11 LEU 111 HD11 LEU 111 10.126 -11.223 3.108 884 HD12 LEU 111 HD12 LEU 111 10.826 -11.590 1.515 885 HD13 LEU 111 HD13 LEU 111 9.189 -12.148 1.932 886 HD21 LEU 111 HD21 LEU 111 9.856 -7.935 1.413 887 HD22 LEU 111 HD22 LEU 111 11.239 -9.042 1.266 888 HD23 LEU 111 HD23 LEU 111 10.461 -8.782 2.845 889 H LYS 112 H LYS 112 6.849 -12.639 1.290 890 HA LYS 112 HA LYS 112 4.258 -11.250 1.156 891 HB2 LYS 112 HB1 LYS 112 4.312 -13.673 1.108 892 HB3 LYS 112 HB2 LYS 112 5.159 -13.728 2.667 893 HG2 LYS 112 HG1 LYS 112 3.274 -12.879 3.839 894 HG3 LYS 112 HG2 LYS 112 2.449 -12.366 2.358 895 HD2 LYS 112 HD1 LYS 112 3.035 -15.285 2.963 896 HD3 LYS 112 HD2 LYS 112 1.562 -14.431 3.519 897 HE2 LYS 112 HE1 LYS 112 1.131 -13.789 1.126 898 HE3 LYS 112 HE2 LYS 112 2.474 -14.805 0.618 899 HZ1 LYS 112 HZ1 LYS 112 0.180 -15.827 0.543 900 HZ2 LYS 112 HZ2 LYS 112 0.085 -15.720 2.133 901 HZ3 LYS 112 HZ3 LYS 112 1.217 -16.712 1.522 902 H VAL 113 H VAL 113 3.389 -9.984 2.667 903 HA VAL 113 HA VAL 113 4.461 -9.867 5.455 904 HB VAL 113 HB VAL 113 3.818 -7.520 5.636 905 HG11 VAL 113 HG11 VAL 113 5.764 -7.913 3.325 906 HG12 VAL 113 HG12 VAL 113 5.665 -6.503 4.399 907 HG13 VAL 113 HG13 VAL 113 6.162 -8.075 5.049 908 HG21 VAL 113 HG21 VAL 113 3.179 -7.609 2.682 909 HG22 VAL 113 HG22 VAL 113 2.073 -7.260 4.023 910 HG23 VAL 113 HG23 VAL 113 3.365 -6.122 3.634 911 H VAL 114 H VAL 114 2.782 -9.241 7.049 912 HA VAL 114 HA VAL 114 -0.032 -9.775 6.160 913 HB VAL 114 HB VAL 114 1.279 -10.566 8.799 914 HG11 VAL 114 HG11 VAL 114 -1.063 -9.922 9.171 915 HG12 VAL 114 HG12 VAL 114 -1.575 -10.916 7.788 916 HG13 VAL 114 HG13 VAL 114 -0.923 -11.681 9.255 917 HG21 VAL 114 HG21 VAL 114 0.238 -12.280 6.492 918 HG22 VAL 114 HG22 VAL 114 1.934 -12.108 6.993 919 HG23 VAL 114 HG23 VAL 114 0.779 -12.900 8.067 920 H LEU 115 H LEU 115 -1.519 -8.271 6.797 921 HA LEU 115 HA LEU 115 -0.530 -5.864 8.344 922 HB2 LEU 115 HB1 LEU 115 -2.336 -5.986 5.917 923 HB3 LEU 115 HB2 LEU 115 -1.715 -4.532 6.706 924 HG LEU 115 HG LEU 115 -0.055 -6.605 5.189 925 HD11 LEU 115 HD11 LEU 115 -0.007 -5.049 3.419 926 HD12 LEU 115 HD12 LEU 115 -0.826 -3.779 4.382 927 HD13 LEU 115 HD13 LEU 115 -1.697 -5.229 3.865 928 HD21 LEU 115 HD21 LEU 115 1.759 -4.898 5.327 929 HD22 LEU 115 HD22 LEU 115 1.317 -5.492 6.925 930 HD23 LEU 115 HD23 LEU 115 0.726 -3.914 6.392 931 HA PRO 116 HA PRO 116 -4.450 -6.488 10.653 932 HB2 PRO 116 HB1 PRO 116 -3.922 -3.525 11.135 933 HB3 PRO 116 HB2 PRO 116 -4.465 -4.715 12.298 934 HG2 PRO 116 HG1 PRO 116 -1.879 -3.984 12.238 935 HG3 PRO 116 HG2 PRO 116 -2.285 -5.759 12.386 936 HD2 PRO 116 HD1 PRO 116 -1.392 -4.195 9.964 937 HD3 PRO 116 HD2 PRO 116 -0.915 -5.819 10.495 938 H VAL 117 H VAL 117 -6.553 -6.241 10.131 939 HA VAL 117 HA VAL 117 -7.341 -4.049 8.251 940 HB VAL 117 HB VAL 117 -8.910 -6.577 8.816 941 HG11 VAL 117 HG11 VAL 117 -8.944 -4.610 6.465 942 HG12 VAL 117 HG12 VAL 117 -10.018 -6.008 6.698 943 HG13 VAL 117 HG13 VAL 117 -10.127 -4.633 7.785 944 HG21 VAL 117 HG21 VAL 117 -8.013 -7.413 6.649 945 HG22 VAL 117 HG22 VAL 117 -6.853 -6.082 6.609 946 HG23 VAL 117 HG23 VAL 117 -6.759 -7.313 7.883 947 H GLU 118 H GLU 118 -8.720 -2.470 8.913 948 HA GLU 118 HA GLU 118 -10.724 -2.882 10.944 949 HB2 GLU 118 HB1 GLU 118 -8.251 -2.133 11.815 950 HB3 GLU 118 HB2 GLU 118 -8.933 -0.544 11.472 951 HG2 GLU 118 HG1 GLU 118 -10.971 -1.251 12.837 952 HG3 GLU 118 HG2 GLU 118 -10.070 -2.744 13.198 953 H ALA 119 H ALA 119 -12.050 -0.834 11.239 954 HA ALA 119 HA ALA 119 -12.377 0.568 8.632 955 HB1 ALA 119 HB1 ALA 119 -14.274 0.258 10.999 956 HB2 ALA 119 HB2 ALA 119 -14.642 1.036 9.451 957 HB3 ALA 119 HB3 ALA 119 -14.322 -0.715 9.511 958 H ARG 120 H ARG 120 -11.096 2.303 8.612 959 HA ARG 120 HA ARG 120 -11.437 4.428 10.654 960 HB2 ARG 120 HB1 ARG 120 -8.766 3.469 9.522 961 HB3 ARG 120 HB2 ARG 120 -9.002 4.880 10.576 962 HG2 ARG 120 HG1 ARG 120 -9.737 3.389 12.404 963 HG3 ARG 120 HG2 ARG 120 -9.515 1.969 11.347 964 HD2 ARG 120 HD1 ARG 120 -7.099 2.563 11.114 965 HD3 ARG 120 HD2 ARG 120 -7.340 3.866 12.297 966 HE ARG 120 HE ARG 120 -8.365 1.520 13.469 967 HH11 ARG 120 HH12 ARG 120 -5.137 2.448 12.434 968 HH12 ARG 120 HH11 ARG 120 -4.430 1.247 13.492 969 HH21 ARG 120 HH22 ARG 120 -7.387 0.080 14.686 970 HH22 ARG 120 HH21 ARG 120 -5.659 -0.031 14.720 Start of MODEL 23 1 H1 GLY 1 1H GLY 1 0.898 0.999 17.402 2 H2 GLY 1 2H GLY 1 1.085 -0.196 18.531 3 H3 GLY 1 3H GLY 1 2.333 0.234 17.527 4 HA2 GLY 1 HA3 GLY 1 1.139 2.022 19.549 5 HA3 GLY 1 HA2 GLY 1 2.676 1.151 19.750 6 H SER 2 H SER 2 4.525 2.327 19.073 7 HA SER 2 HA SER 2 4.587 3.814 16.597 8 HB2 SER 2 HB1 SER 2 6.618 1.768 17.542 9 HB3 SER 2 HB2 SER 2 6.885 3.209 16.539 10 HG SER 2 HG SER 2 7.549 3.702 18.637 11 H PHE 3 H PHE 3 5.242 2.787 14.487 12 HA PHE 3 HA PHE 3 3.702 0.308 13.991 13 HB2 PHE 3 HB1 PHE 3 4.917 2.381 12.147 14 HB3 PHE 3 HB2 PHE 3 4.076 0.917 11.594 15 HD1 PHE 3 HD1 PHE 3 1.660 0.538 12.269 16 HD2 PHE 3 HD2 PHE 3 3.657 4.328 12.791 17 HE1 PHE 3 HE1 PHE 3 -0.534 1.658 12.593 18 HE2 PHE 3 HE2 PHE 3 1.462 5.440 13.104 19 HZ PHE 3 HZ PHE 3 -0.636 4.105 13.013 20 H THR 4 H THR 4 4.560 -1.331 12.603 21 HA THR 4 HA THR 4 7.439 -1.886 12.523 22 HB THR 4 HB THR 4 7.069 -4.105 13.745 23 HG1 THR 4 HG1 THR 4 5.351 -4.264 15.075 24 HG21 THR 4 HG21 THR 4 7.559 -3.269 15.943 25 HG22 THR 4 HG22 THR 4 6.830 -1.690 15.583 26 HG23 THR 4 HG23 THR 4 8.335 -2.183 14.776 27 H GLU 5 H GLU 5 4.351 -3.524 12.641 28 HA GLU 5 HA GLU 5 4.428 -4.198 9.746 29 HB2 GLU 5 HB1 GLU 5 3.681 -5.794 11.661 30 HB3 GLU 5 HB2 GLU 5 2.207 -4.824 11.715 31 HG2 GLU 5 HG1 GLU 5 1.743 -5.377 9.363 32 HG3 GLU 5 HG2 GLU 5 3.304 -6.224 9.229 33 H GLY 6 H GLY 6 1.962 -3.742 8.906 34 HA2 GLY 6 HA3 GLY 6 1.080 -0.997 9.595 35 HA3 GLY 6 HA2 GLY 6 1.443 -1.377 7.895 36 H TRP 7 H TRP 7 -1.040 -0.730 7.824 37 HA TRP 7 HA TRP 7 -2.774 -3.084 8.429 38 HB2 TRP 7 HB1 TRP 7 -4.333 -1.802 9.588 39 HB3 TRP 7 HB2 TRP 7 -2.781 -1.444 10.319 40 HD1 TRP 7 HD TRP 7 -5.780 0.091 8.790 41 HE1 TRP 7 HE1 TRP 7 -5.535 2.594 8.370 42 HE3 TRP 7 3HE TRP 7 -0.782 0.604 9.814 43 HZ2 TRP 7 HZ2 TRP 7 -3.551 4.619 8.813 44 HZ3 TRP 7 HZ3 TRP 7 0.245 2.855 9.851 45 HH2 TRP 7 HH TRP 7 -1.119 4.871 9.402 46 H VAL 8 H VAL 8 -5.119 -2.445 7.702 47 HA VAL 8 HA VAL 8 -5.073 -1.426 4.892 48 HB VAL 8 HB VAL 8 -5.653 -4.042 5.887 49 HG11 VAL 8 HG11 VAL 8 -8.147 -2.942 4.541 50 HG12 VAL 8 HG12 VAL 8 -7.822 -4.607 5.046 51 HG13 VAL 8 HG13 VAL 8 -8.028 -3.351 6.272 52 HG21 VAL 8 HG21 VAL 8 -5.786 -4.594 3.538 53 HG22 VAL 8 HG22 VAL 8 -6.098 -2.896 3.110 54 HG23 VAL 8 HG23 VAL 8 -4.528 -3.368 3.785 55 H ARG 9 H ARG 9 -6.953 -0.381 4.053 56 HA ARG 9 HA ARG 9 -8.112 1.444 5.912 57 HB2 ARG 9 HB1 ARG 9 -7.522 2.079 3.652 58 HB3 ARG 9 HB2 ARG 9 -8.677 0.915 2.964 59 HG2 ARG 9 HG1 ARG 9 -10.544 2.151 3.821 60 HG3 ARG 9 HG2 ARG 9 -9.503 3.238 4.729 61 HD2 ARG 9 HD1 ARG 9 -9.522 3.082 1.710 62 HD3 ARG 9 HD2 ARG 9 -10.590 4.151 2.644 63 HE ARG 9 HE ARG 9 -7.658 4.389 2.306 64 HH11 ARG 9 HH12 ARG 9 -10.057 5.617 4.541 65 HH12 ARG 9 HH11 ARG 9 -9.615 7.232 4.321 66 HH21 ARG 9 HH22 ARG 9 -6.887 6.496 2.365 67 HH22 ARG 9 HH21 ARG 9 -7.738 7.695 3.296 68 H PHE 10 H PHE 10 -9.412 -1.603 4.895 69 HA PHE 10 HA PHE 10 -11.381 -2.650 4.892 70 HB2 PHE 10 HB1 PHE 10 -11.952 -2.270 7.043 71 HB3 PHE 10 HB2 PHE 10 -12.125 -0.532 6.871 72 HD1 PHE 10 HD2 PHE 10 -14.132 0.467 5.811 73 HD2 PHE 10 HD1 PHE 10 -13.805 -3.738 6.636 74 HE1 PHE 10 HE2 PHE 10 -16.546 0.194 5.359 75 HE2 PHE 10 HE1 PHE 10 -16.232 -4.025 6.214 76 HZ PHE 10 HZ PHE 10 -17.623 -2.053 5.581 77 H SER 11 H SER 11 -13.430 -2.737 3.765 78 HA SER 11 HA SER 11 -14.528 -0.295 2.725 79 HB2 SER 11 HB1 SER 11 -12.800 -0.842 0.979 80 HB3 SER 11 HB2 SER 11 -13.604 -2.402 0.707 81 HG SER 11 HG SER 11 -14.128 -0.655 -0.755 82 HA PRO 12 HA PRO 12 -18.049 -3.192 2.755 83 HB2 PRO 12 HB1 PRO 12 -20.070 -1.539 2.131 84 HB3 PRO 12 HB2 PRO 12 -19.161 -1.295 3.653 85 HG2 PRO 12 HG1 PRO 12 -18.766 0.135 1.006 86 HG3 PRO 12 HG2 PRO 12 -18.931 0.865 2.642 87 HD2 PRO 12 HD1 PRO 12 -16.496 0.318 1.414 88 HD3 PRO 12 HD2 PRO 12 -16.729 0.345 3.181 89 H GLY 13 H GLY 13 -16.469 -1.848 0.095 90 HA2 GLY 13 HA3 GLY 13 -18.290 -3.079 -1.908 91 HA3 GLY 13 HA2 GLY 13 -17.380 -1.575 -2.179 92 HA PRO 14 HA PRO 14 -15.196 -5.426 -3.827 93 HB2 PRO 14 HB1 PRO 14 -14.960 -4.658 -6.446 94 HB3 PRO 14 HB2 PRO 14 -16.414 -5.451 -5.776 95 HG2 PRO 14 HG1 PRO 14 -15.930 -2.487 -6.184 96 HG3 PRO 14 HG2 PRO 14 -17.371 -3.451 -6.671 97 HD2 PRO 14 HD1 PRO 14 -17.344 -2.002 -4.370 98 HD3 PRO 14 HD2 PRO 14 -18.117 -3.611 -4.427 99 H ASN 15 H ASN 15 -14.476 -1.992 -3.959 100 HA ASN 15 HA ASN 15 -11.627 -2.496 -4.365 101 HB2 ASN 15 HB1 ASN 15 -11.622 -0.069 -4.982 102 HB3 ASN 15 HB2 ASN 15 -12.500 -1.134 -6.078 103 HD21 ASN 15 HD21 ASN 15 -12.742 1.823 -5.761 104 HD22 ASN 15 HD22 ASN 15 -14.421 2.082 -5.279 105 H ALA 16 H ALA 16 -10.143 -1.777 -3.078 106 HA ALA 16 HA ALA 16 -10.675 -0.356 -0.515 107 HB1 ALA 16 HB1 ALA 16 -11.088 -2.793 -0.157 108 HB2 ALA 16 HB2 ALA 16 -9.455 -3.152 -0.741 109 HB3 ALA 16 HB3 ALA 16 -9.684 -2.223 0.758 110 H ALA 17 H ALA 17 -8.309 -0.489 0.738 111 HA ALA 17 HA ALA 17 -6.067 -0.009 -1.094 112 HB1 ALA 17 HB1 ALA 17 -7.174 2.185 0.724 113 HB2 ALA 17 HB2 ALA 17 -5.633 2.255 -0.149 114 HB3 ALA 17 HB3 ALA 17 -7.157 2.192 -1.057 115 H ALA 18 H ALA 18 -4.023 -0.108 0.030 116 HA ALA 18 HA ALA 18 -4.116 -1.028 2.883 117 HB1 ALA 18 HB1 ALA 18 -2.549 -2.267 0.574 118 HB2 ALA 18 HB2 ALA 18 -2.534 -2.800 2.266 119 HB3 ALA 18 HB3 ALA 18 -4.019 -2.944 1.312 120 H TYR 19 H TYR 19 -2.373 -0.659 4.190 121 HA TYR 19 HA TYR 19 -0.432 1.446 3.368 122 HB2 TYR 19 HB1 TYR 19 -1.746 1.099 6.061 123 HB3 TYR 19 HB2 TYR 19 -0.900 2.519 5.453 124 HD1 TYR 19 HD2 TYR 19 -2.089 3.653 3.306 125 HD2 TYR 19 HD1 TYR 19 -3.989 1.155 6.256 126 HE1 TYR 19 HE2 TYR 19 -4.210 4.958 3.065 127 HE2 TYR 19 HE1 TYR 19 -6.067 2.510 6.091 128 HH TYR 19 HH TYR 19 -6.954 4.455 5.345 129 H LEU 20 H LEU 20 0.589 -1.210 3.339 130 HA LEU 20 HA LEU 20 1.359 -2.050 5.962 131 HB2 LEU 20 HB1 LEU 20 2.294 -3.950 5.013 132 HB3 LEU 20 HB2 LEU 20 0.791 -3.589 4.166 133 HG LEU 20 HG LEU 20 3.627 -3.165 3.120 134 HD11 LEU 20 HD11 LEU 20 1.411 -5.146 2.459 135 HD12 LEU 20 HD12 LEU 20 2.959 -5.515 3.246 136 HD13 LEU 20 HD13 LEU 20 2.921 -4.999 1.548 137 HD21 LEU 20 HD21 LEU 20 2.500 -2.752 0.918 138 HD22 LEU 20 HD22 LEU 20 2.214 -1.462 2.082 139 HD23 LEU 20 HD23 LEU 20 0.937 -2.663 1.753 140 H THR 21 H THR 21 3.335 -2.453 6.912 141 HA THR 21 HA THR 21 5.547 -0.579 6.263 142 HB THR 21 HB THR 21 5.191 -2.296 8.734 143 HG1 THR 21 HG1 THR 21 3.970 -0.763 9.545 144 HG21 THR 21 HG21 THR 21 6.873 0.191 8.165 145 HG22 THR 21 HG22 THR 21 7.468 -1.453 8.510 146 HG23 THR 21 HG23 THR 21 6.644 -0.532 9.773 147 H LEU 22 H LEU 22 7.647 -1.350 6.012 148 HA LEU 22 HA LEU 22 8.235 -4.217 5.874 149 HB2 LEU 22 HB1 LEU 22 8.368 -4.464 3.615 150 HB3 LEU 22 HB2 LEU 22 7.013 -3.322 3.715 151 HG LEU 22 HG LEU 22 9.129 -1.634 3.459 152 HD11 LEU 22 HD11 LEU 22 10.395 -2.510 1.410 153 HD12 LEU 22 HD12 LEU 22 9.817 -4.127 1.870 154 HD13 LEU 22 HD13 LEU 22 10.859 -3.199 2.954 155 HD21 LEU 22 HD21 LEU 22 7.551 -2.858 1.171 156 HD22 LEU 22 HD22 LEU 22 8.364 -1.288 1.151 157 HD23 LEU 22 HD23 LEU 22 6.978 -1.543 2.222 158 H GLU 23 H GLU 23 10.507 -4.637 5.306 159 HA GLU 23 HA GLU 23 12.425 -2.436 5.903 160 HB2 GLU 23 HB1 GLU 23 13.803 -4.269 6.926 161 HB3 GLU 23 HB2 GLU 23 12.376 -3.778 7.841 162 HG2 GLU 23 HG1 GLU 23 12.170 -6.171 6.024 163 HG3 GLU 23 HG2 GLU 23 13.063 -6.322 7.563 164 H ASN 24 H ASN 24 14.243 -2.225 4.667 165 HA ASN 24 HA ASN 24 14.937 -4.386 2.714 166 HB2 ASN 24 HB1 ASN 24 14.901 -2.023 1.888 167 HB3 ASN 24 HB2 ASN 24 16.199 -1.627 3.022 168 HD21 ASN 24 HD21 ASN 24 17.017 -1.135 0.599 169 HD22 ASN 24 HD22 ASN 24 18.002 -2.455 -0.064 170 HA PRO 25 HA PRO 25 17.853 -5.208 6.161 171 HB2 PRO 25 HB1 PRO 25 18.020 -7.929 5.947 172 HB3 PRO 25 HB2 PRO 25 16.584 -7.140 6.668 173 HG2 PRO 25 HG1 PRO 25 16.938 -8.046 3.785 174 HG3 PRO 25 HG2 PRO 25 15.589 -8.461 4.902 175 HD2 PRO 25 HD1 PRO 25 15.383 -6.413 3.124 176 HD3 PRO 25 HD2 PRO 25 14.711 -6.276 4.777 177 H GLY 26 H GLY 26 18.127 -5.547 2.724 178 HA2 GLY 26 HA3 GLY 26 20.724 -6.857 2.727 179 HA3 GLY 26 HA2 GLY 26 19.797 -6.259 1.332 180 H ASP 27 H ASP 27 22.287 -5.872 1.192 181 HA ASP 27 HA ASP 27 23.212 -3.262 2.159 182 HB2 ASP 27 HB1 ASP 27 24.408 -5.744 0.863 183 HB3 ASP 27 HB2 ASP 27 25.321 -4.288 1.259 184 H LEU 28 H LEU 28 21.487 -4.246 -0.358 185 HA LEU 28 HA LEU 28 22.431 -2.145 -2.231 186 HB2 LEU 28 HB1 LEU 28 21.286 -4.857 -3.015 187 HB3 LEU 28 HB2 LEU 28 21.781 -3.557 -4.121 188 HG LEU 28 HG LEU 28 24.140 -3.952 -2.850 189 HD11 LEU 28 HD11 LEU 28 24.537 -6.377 -2.573 190 HD12 LEU 28 HD12 LEU 28 22.827 -6.720 -2.905 191 HD13 LEU 28 HD13 LEU 28 23.298 -5.849 -1.435 192 HD21 LEU 28 HD21 LEU 28 24.783 -5.356 -4.780 193 HD22 LEU 28 HD22 LEU 28 23.785 -3.985 -5.280 194 HD23 LEU 28 HD23 LEU 28 23.070 -5.609 -5.176 195 HA PRO 29 HA PRO 29 18.472 -0.666 -1.620 196 HB2 PRO 29 HB1 PRO 29 17.758 0.726 -3.846 197 HB3 PRO 29 HB2 PRO 29 19.200 1.138 -2.865 198 HG2 PRO 29 HG1 PRO 29 19.083 -0.426 -5.437 199 HG3 PRO 29 HG2 PRO 29 20.255 0.850 -4.956 200 HD2 PRO 29 HD1 PRO 29 20.696 -1.901 -4.760 201 HD3 PRO 29 HD2 PRO 29 21.536 -0.724 -3.742 202 H LEU 30 H LEU 30 16.178 -0.727 -1.938 203 HA LEU 30 HA LEU 30 15.134 -2.904 -3.700 204 HB2 LEU 30 HB1 LEU 30 14.483 -2.028 -0.947 205 HB3 LEU 30 HB2 LEU 30 13.068 -2.296 -1.962 206 HG LEU 30 HG LEU 30 13.562 -4.605 -2.199 207 HD11 LEU 30 HD11 LEU 30 15.594 -5.690 -1.182 208 HD12 LEU 30 HD12 LEU 30 16.302 -4.068 -1.043 209 HD13 LEU 30 HD13 LEU 30 15.902 -4.726 -2.633 210 HD21 LEU 30 HD21 LEU 30 12.557 -3.927 -0.069 211 HD22 LEU 30 HD22 LEU 30 14.168 -3.840 0.658 212 HD23 LEU 30 HD23 LEU 30 13.533 -5.395 0.096 213 H ARG 31 H ARG 31 13.385 -2.548 -4.744 214 HA ARG 31 HA ARG 31 12.303 0.170 -5.214 215 HB2 ARG 31 HB1 ARG 31 14.081 -0.040 -6.871 216 HB3 ARG 31 HB2 ARG 31 13.415 -1.596 -7.421 217 HG2 ARG 31 HG1 ARG 31 11.558 -0.596 -8.424 218 HG3 ARG 31 HG2 ARG 31 11.683 0.884 -7.438 219 HD2 ARG 31 HD1 ARG 31 12.240 1.318 -9.756 220 HD3 ARG 31 HD2 ARG 31 13.581 1.640 -8.671 221 HE ARG 31 HE ARG 31 13.294 -0.707 -10.507 222 HH11 ARG 31 HH12 ARG 31 15.534 1.438 -8.711 223 HH12 ARG 31 HH11 ARG 31 16.896 0.908 -9.614 224 HH21 ARG 31 HH22 ARG 31 15.130 -1.357 -11.610 225 HH22 ARG 31 HH21 ARG 31 16.678 -0.676 -11.190 226 H LEU 32 H LEU 32 10.240 -0.132 -4.739 227 HA LEU 32 HA LEU 32 8.879 -2.762 -4.995 228 HB2 LEU 32 HB1 LEU 32 8.869 -1.653 -2.891 229 HB3 LEU 32 HB2 LEU 32 8.346 -0.123 -3.585 230 HG LEU 32 HG LEU 32 6.571 -2.591 -3.623 231 HD11 LEU 32 HD11 LEU 32 6.846 -0.505 -1.410 232 HD12 LEU 32 HD12 LEU 32 7.309 -2.218 -1.302 233 HD13 LEU 32 HD13 LEU 32 5.607 -1.779 -1.493 234 HD21 LEU 32 HD21 LEU 32 6.219 0.391 -4.043 235 HD22 LEU 32 HD22 LEU 32 4.886 -0.505 -3.350 236 HD23 LEU 32 HD23 LEU 32 5.513 -0.968 -4.942 237 H VAL 33 H VAL 33 7.949 -3.139 -6.903 238 HA VAL 33 HA VAL 33 7.023 -0.837 -8.605 239 HB VAL 33 HB VAL 33 7.292 -2.316 -10.534 240 HG11 VAL 33 HG11 VAL 33 9.832 -2.331 -8.843 241 HG12 VAL 33 HG12 VAL 33 9.733 -2.467 -10.607 242 HG13 VAL 33 HG13 VAL 33 9.257 -0.964 -9.816 243 HG21 VAL 33 HG21 VAL 33 8.502 -4.412 -8.677 244 HG22 VAL 33 HG22 VAL 33 6.909 -4.553 -9.452 245 HG23 VAL 33 HG23 VAL 33 8.369 -4.494 -10.436 246 H GLY 34 H GLY 34 5.942 -3.611 -6.825 247 HA2 GLY 34 HA3 GLY 34 3.178 -3.335 -7.669 248 HA3 GLY 34 HA2 GLY 34 3.959 -4.835 -8.218 249 H ALA 35 H ALA 35 2.008 -5.473 -6.908 250 HA ALA 35 HA ALA 35 2.947 -6.704 -4.464 251 HB1 ALA 35 HB1 ALA 35 0.597 -4.754 -4.418 252 HB2 ALA 35 HB2 ALA 35 0.898 -5.959 -3.145 253 HB3 ALA 35 HB3 ALA 35 2.090 -4.710 -3.447 254 H ARG 36 H ARG 36 0.961 -8.008 -3.576 255 HA ARG 36 HA ARG 36 -1.063 -8.957 -5.447 256 HB2 ARG 36 HB1 ARG 36 1.476 -10.321 -5.143 257 HB3 ARG 36 HB2 ARG 36 0.191 -11.353 -4.514 258 HG2 ARG 36 HG1 ARG 36 -0.882 -11.388 -6.731 259 HG3 ARG 36 HG2 ARG 36 0.364 -10.262 -7.348 260 HD2 ARG 36 HD1 ARG 36 2.147 -11.804 -6.646 261 HD3 ARG 36 HD2 ARG 36 0.952 -12.934 -5.975 262 HE ARG 36 HE ARG 36 0.325 -12.661 -8.685 263 HH11 ARG 36 HH12 ARG 36 3.061 -13.710 -6.717 264 HH12 ARG 36 HH11 ARG 36 3.635 -14.857 -7.891 265 HH21 ARG 36 HH22 ARG 36 1.006 -14.297 -10.131 266 HH22 ARG 36 HH21 ARG 36 2.468 -15.192 -9.815 267 H THR 37 H THR 37 -2.457 -10.646 -4.158 268 HA THR 37 HA THR 37 -2.021 -11.167 -1.397 269 HB THR 37 HB THR 37 -2.506 -9.016 -0.764 270 HG1 THR 37 HG1 THR 37 -3.720 -9.987 0.553 271 HG21 THR 37 HG21 THR 37 -4.553 -7.740 -1.457 272 HG22 THR 37 HG22 THR 37 -4.877 -8.991 -2.674 273 HG23 THR 37 HG23 THR 37 -3.422 -7.972 -2.794 274 HA PRO 38 HA PRO 38 -5.207 -14.094 -2.537 275 HB2 PRO 38 HB1 PRO 38 -6.069 -14.985 -0.098 276 HB3 PRO 38 HB2 PRO 38 -4.475 -15.378 -0.829 277 HG2 PRO 38 HG1 PRO 38 -5.065 -13.251 1.222 278 HG3 PRO 38 HG2 PRO 38 -3.781 -14.513 1.275 279 HD2 PRO 38 HD1 PRO 38 -3.304 -11.981 0.373 280 HD3 PRO 38 HD2 PRO 38 -2.497 -13.370 -0.380 281 H VAL 39 H VAL 39 -5.841 -11.177 -0.907 282 HA VAL 39 HA VAL 39 -8.749 -11.424 -1.607 283 HB VAL 39 HB VAL 39 -9.328 -9.766 0.106 284 HG11 VAL 39 HG11 VAL 39 -9.329 -11.342 1.952 285 HG12 VAL 39 HG12 VAL 39 -9.665 -12.172 0.421 286 HG13 VAL 39 HG13 VAL 39 -8.062 -12.314 1.177 287 HG21 VAL 39 HG21 VAL 39 -6.542 -10.309 1.230 288 HG22 VAL 39 HG22 VAL 39 -7.031 -8.774 0.480 289 HG23 VAL 39 HG23 VAL 39 -7.814 -9.317 1.972 290 H ALA 40 H ALA 40 -7.081 -10.762 -3.622 291 HA ALA 40 HA ALA 40 -8.737 -8.579 -4.520 292 HB1 ALA 40 HB1 ALA 40 -6.809 -7.252 -3.568 293 HB2 ALA 40 HB2 ALA 40 -5.725 -8.111 -4.689 294 HB3 ALA 40 HB3 ALA 40 -7.009 -7.065 -5.317 295 H GLU 41 H GLU 41 -8.931 -8.596 -6.779 296 HA GLU 41 HA GLU 41 -7.592 -10.766 -8.317 297 HB2 GLU 41 HB1 GLU 41 -10.184 -10.013 -8.231 298 HB3 GLU 41 HB2 GLU 41 -9.644 -8.931 -9.528 299 HG2 GLU 41 HG1 GLU 41 -10.449 -10.892 -10.604 300 HG3 GLU 41 HG2 GLU 41 -8.689 -11.031 -10.676 301 H ARG 42 H ARG 42 -7.748 -7.235 -8.061 302 HA ARG 42 HA ARG 42 -5.369 -6.998 -9.818 303 HB2 ARG 42 HB1 ARG 42 -7.825 -5.203 -9.871 304 HB3 ARG 42 HB2 ARG 42 -6.240 -4.752 -10.550 305 HG2 ARG 42 HG1 ARG 42 -6.382 -6.584 -12.163 306 HG3 ARG 42 HG2 ARG 42 -7.933 -7.112 -11.454 307 HD2 ARG 42 HD1 ARG 42 -8.457 -5.908 -13.431 308 HD3 ARG 42 HD2 ARG 42 -8.920 -4.888 -12.076 309 HE ARG 42 HE ARG 42 -6.741 -4.464 -14.042 310 HH11 ARG 42 HH12 ARG 42 -8.310 -3.087 -11.109 311 HH12 ARG 42 HH11 ARG 42 -7.416 -1.593 -11.362 312 HH21 ARG 42 HH22 ARG 42 -5.740 -2.363 -14.141 313 HH22 ARG 42 HH21 ARG 42 -6.135 -1.246 -12.833 314 H VAL 43 H VAL 43 -3.877 -5.669 -8.996 315 HA VAL 43 HA VAL 43 -4.550 -3.878 -6.746 316 HB VAL 43 HB VAL 43 -3.266 -5.904 -5.957 317 HG11 VAL 43 HG11 VAL 43 -1.659 -6.120 -7.845 318 HG12 VAL 43 HG12 VAL 43 -0.862 -4.610 -7.335 319 HG13 VAL 43 HG13 VAL 43 -0.883 -6.003 -6.258 320 HG21 VAL 43 HG21 VAL 43 -1.916 -3.224 -5.454 321 HG22 VAL 43 HG22 VAL 43 -3.378 -3.831 -4.639 322 HG23 VAL 43 HG23 VAL 43 -1.839 -4.667 -4.426 323 H GLU 44 H GLU 44 -3.452 -1.890 -6.762 324 HA GLU 44 HA GLU 44 -1.708 -1.167 -9.078 325 HB2 GLU 44 HB1 GLU 44 -4.201 0.278 -8.086 326 HB3 GLU 44 HB2 GLU 44 -2.991 1.005 -9.171 327 HG2 GLU 44 HG1 GLU 44 -3.499 -0.545 -10.921 328 HG3 GLU 44 HG2 GLU 44 -4.511 -1.529 -9.845 329 H LEU 45 H LEU 45 -0.322 0.640 -8.609 330 HA LEU 45 HA LEU 45 0.081 1.127 -5.682 331 HB2 LEU 45 HB1 LEU 45 1.903 -0.009 -6.851 332 HB3 LEU 45 HB2 LEU 45 1.969 1.302 -8.054 333 HG LEU 45 HG LEU 45 2.629 2.881 -6.237 334 HD11 LEU 45 HD11 LEU 45 2.858 0.413 -4.488 335 HD12 LEU 45 HD12 LEU 45 1.699 1.739 -4.248 336 HD13 LEU 45 HD13 LEU 45 3.434 2.036 -4.083 337 HD21 LEU 45 HD21 LEU 45 4.928 2.002 -6.039 338 HD22 LEU 45 HD22 LEU 45 4.279 1.756 -7.674 339 HD23 LEU 45 HD23 LEU 45 4.350 0.393 -6.536 340 H HIS 46 H HIS 46 -0.600 3.047 -4.927 341 HA HIS 46 HA HIS 46 -0.700 5.402 -6.777 342 HB2 HIS 46 HB1 HIS 46 -2.587 4.520 -4.578 343 HB3 HIS 46 HB2 HIS 46 -2.697 6.071 -5.415 344 HD2 HIS 46 HD2 HIS 46 -2.217 3.740 -8.199 345 HE1 HIS 46 HE1 HIS 46 -6.355 3.357 -7.261 346 HE2 HIS 46 HE2 HIS 46 -4.584 2.795 -9.021 347 H GLU 47 H GLU 47 -0.405 7.335 -6.071 348 HA GLU 47 HA GLU 47 0.850 7.872 -3.421 349 HB2 GLU 47 HB1 GLU 47 1.488 9.995 -4.299 350 HB3 GLU 47 HB2 GLU 47 1.966 8.720 -5.450 351 HG2 GLU 47 HG1 GLU 47 0.275 9.306 -6.980 352 HG3 GLU 47 HG2 GLU 47 -0.624 10.276 -5.798 353 H THR 48 H THR 48 0.057 10.060 -2.459 354 HA THR 48 HA THR 48 -2.751 10.854 -2.949 355 HB THR 48 HB THR 48 -1.725 9.717 -0.299 356 HG1 THR 48 HG1 THR 48 -2.798 8.689 -2.398 357 HG21 THR 48 HG21 THR 48 -4.059 10.115 0.509 358 HG22 THR 48 HG22 THR 48 -4.417 11.002 -0.994 359 HG23 THR 48 HG23 THR 48 -3.217 11.634 0.159 360 H PHE 49 H PHE 49 -2.859 13.082 -2.516 361 HA PHE 49 HA PHE 49 -0.500 14.352 -1.227 362 HB2 PHE 49 HB1 PHE 49 -0.085 15.699 -3.243 363 HB3 PHE 49 HB2 PHE 49 0.226 13.979 -3.473 364 HD1 PHE 49 HD2 PHE 49 -2.131 16.768 -4.207 365 HD2 PHE 49 HD1 PHE 49 -1.013 12.723 -5.138 366 HE1 PHE 49 HE2 PHE 49 -3.633 16.809 -6.177 367 HE2 PHE 49 HE1 PHE 49 -2.440 12.787 -7.150 368 HZ PHE 49 HZ PHE 49 -3.729 14.858 -7.709 369 H MET 50 H MET 50 -0.534 16.583 -1.112 370 HA MET 50 HA MET 50 -3.200 17.745 -0.524 371 HB2 MET 50 HB1 MET 50 -0.730 17.858 0.724 372 HB3 MET 50 HB2 MET 50 -0.745 19.396 -0.141 373 HG2 MET 50 HG1 MET 50 -2.881 18.355 1.762 374 HG3 MET 50 HG2 MET 50 -1.655 19.565 2.146 375 HE1 MET 50 HE1 MET 50 -2.260 22.352 1.749 376 HE2 MET 50 HE2 MET 50 -1.313 21.578 0.461 377 HE3 MET 50 HE3 MET 50 -2.683 22.618 0.035 378 H ARG 51 H ARG 51 -4.154 19.362 -1.771 379 HA ARG 51 HA ARG 51 -2.572 20.762 -3.809 380 HB2 ARG 51 HB1 ARG 51 -3.813 18.370 -4.510 381 HB3 ARG 51 HB2 ARG 51 -4.914 19.630 -5.107 382 HG2 ARG 51 HG1 ARG 51 -1.987 19.977 -5.667 383 HG3 ARG 51 HG2 ARG 51 -2.853 18.717 -6.587 384 HD2 ARG 51 HD1 ARG 51 -4.380 20.251 -7.517 385 HD3 ARG 51 HD2 ARG 51 -3.878 21.538 -6.408 386 HE ARG 51 HE ARG 51 -1.758 20.477 -8.106 387 HH11 ARG 51 HH12 ARG 51 -4.214 23.047 -7.795 388 HH12 ARG 51 HH11 ARG 51 -3.423 24.058 -8.952 389 HH21 ARG 51 HH22 ARG 51 -0.804 21.861 -9.632 390 HH22 ARG 51 HH21 ARG 51 -1.532 23.402 -9.971 391 H GLU 52 H GLU 52 -3.371 22.672 -4.426 392 HA GLU 52 HA GLU 52 -5.835 23.698 -3.311 393 HB2 GLU 52 HB1 GLU 52 -3.268 24.660 -3.969 394 HB3 GLU 52 HB2 GLU 52 -4.348 25.433 -5.154 395 HG2 GLU 52 HG1 GLU 52 -4.198 26.845 -3.227 396 HG3 GLU 52 HG2 GLU 52 -5.819 26.138 -3.330 397 H VAL 53 H VAL 53 -7.733 23.854 -4.392 398 HA VAL 53 HA VAL 53 -7.761 24.351 -7.319 399 HB VAL 53 HB VAL 53 -9.573 22.308 -5.934 400 HG11 VAL 53 HG11 VAL 53 -9.480 23.267 -8.835 401 HG12 VAL 53 HG12 VAL 53 -10.459 21.909 -8.240 402 HG13 VAL 53 HG13 VAL 53 -10.799 23.543 -7.675 403 HG21 VAL 53 HG21 VAL 53 -7.414 21.875 -8.050 404 HG22 VAL 53 HG22 VAL 53 -7.377 21.289 -6.371 405 HG23 VAL 53 HG23 VAL 53 -8.571 20.646 -7.496 406 H GLU 54 H GLU 54 -9.275 25.945 -7.801 407 HA GLU 54 HA GLU 54 -10.643 27.714 -7.478 408 HB2 GLU 54 HB1 GLU 54 -12.111 25.667 -6.638 409 HB3 GLU 54 HB2 GLU 54 -11.941 26.475 -5.069 410 HG2 GLU 54 HG1 GLU 54 -12.689 28.603 -6.552 411 HG3 GLU 54 HG2 GLU 54 -13.406 27.340 -7.564 412 H GLY 55 H GLY 55 -8.102 27.411 -5.780 413 HA2 GLY 55 HA3 GLY 55 -6.929 28.837 -4.341 414 HA3 GLY 55 HA2 GLY 55 -8.415 29.777 -4.075 415 H LYS 56 H LYS 56 -8.540 26.313 -3.625 416 HA LYS 56 HA LYS 56 -8.591 26.537 -0.677 417 HB2 LYS 56 HB1 LYS 56 -10.708 25.240 -2.443 418 HB3 LYS 56 HB2 LYS 56 -10.730 25.318 -0.674 419 HG2 LYS 56 HG1 LYS 56 -11.087 27.726 -0.740 420 HG3 LYS 56 HG2 LYS 56 -10.872 27.753 -2.511 421 HD2 LYS 56 HD1 LYS 56 -12.843 26.171 -2.675 422 HD3 LYS 56 HD2 LYS 56 -13.168 26.505 -0.969 423 HE2 LYS 56 HE1 LYS 56 -13.413 28.909 -1.463 424 HE3 LYS 56 HE2 LYS 56 -12.860 28.620 -3.150 425 HZ1 LYS 56 HZ1 LYS 56 -15.108 28.690 -3.384 426 HZ2 LYS 56 HZ2 LYS 56 -15.462 27.805 -1.994 427 HZ3 LYS 56 HZ3 LYS 56 -14.811 27.165 -3.383 428 H LYS 57 H LYS 57 -7.535 24.955 0.190 429 HA LYS 57 HA LYS 57 -6.348 22.825 -1.193 430 HB2 LYS 57 HB1 LYS 57 -5.727 22.053 1.165 431 HB3 LYS 57 HB2 LYS 57 -5.088 23.545 0.461 432 HG2 LYS 57 HG1 LYS 57 -6.894 24.759 1.843 433 HG3 LYS 57 HG2 LYS 57 -7.112 23.195 2.677 434 HD2 LYS 57 HD1 LYS 57 -5.571 24.195 4.059 435 HD3 LYS 57 HD2 LYS 57 -4.485 23.314 2.996 436 HE2 LYS 57 HE1 LYS 57 -5.234 26.275 2.810 437 HE3 LYS 57 HE2 LYS 57 -3.722 25.635 3.481 438 HZ1 LYS 57 HZ1 LYS 57 -3.282 24.778 1.147 439 HZ2 LYS 57 HZ2 LYS 57 -3.396 26.423 1.222 440 HZ3 LYS 57 HZ3 LYS 57 -4.603 25.530 0.641 441 H VAL 58 H VAL 58 -7.072 21.051 -1.884 442 HA VAL 58 HA VAL 58 -8.958 19.324 -0.374 443 HB VAL 58 HB VAL 58 -9.501 18.359 -2.607 444 HG11 VAL 58 HG11 VAL 58 -11.107 20.076 -3.281 445 HG12 VAL 58 HG12 VAL 58 -11.024 19.969 -1.514 446 HG13 VAL 58 HG13 VAL 58 -10.219 21.307 -2.362 447 HG21 VAL 58 HG21 VAL 58 -7.532 19.170 -3.909 448 HG22 VAL 58 HG22 VAL 58 -9.077 19.549 -4.683 449 HG23 VAL 58 HG23 VAL 58 -8.190 20.821 -3.831 450 H MET 59 H MET 59 -8.532 16.956 -1.157 451 HA MET 59 HA MET 59 -5.585 16.474 -1.331 452 HB2 MET 59 HB1 MET 59 -7.682 14.851 0.136 453 HB3 MET 59 HB2 MET 59 -5.964 14.406 -0.085 454 HG2 MET 59 HG1 MET 59 -5.960 15.312 2.031 455 HG3 MET 59 HG2 MET 59 -5.432 16.667 1.051 456 HE1 MET 59 HE1 MET 59 -7.550 19.423 2.112 457 HE2 MET 59 HE2 MET 59 -6.281 18.691 3.119 458 HE3 MET 59 HE3 MET 59 -6.084 18.779 1.349 459 H GLY 60 H GLY 60 -4.883 15.245 -2.937 460 HA2 GLY 60 HA3 GLY 60 -6.897 13.991 -4.764 461 HA3 GLY 60 HA2 GLY 60 -5.380 14.744 -5.309 462 H MET 61 H MET 61 -5.891 12.272 -6.199 463 HA MET 61 HA MET 61 -3.700 10.666 -5.052 464 HB2 MET 61 HB1 MET 61 -5.497 9.732 -3.849 465 HB3 MET 61 HB2 MET 61 -6.601 9.864 -5.229 466 HG2 MET 61 HG1 MET 61 -5.122 8.105 -6.352 467 HG3 MET 61 HG2 MET 61 -4.392 7.852 -4.775 468 HE1 MET 61 HE1 MET 61 -6.563 7.921 -2.715 469 HE2 MET 61 HE2 MET 61 -7.937 8.536 -3.678 470 HE3 MET 61 HE3 MET 61 -8.006 6.903 -2.958 471 H ARG 62 H ARG 62 -2.656 9.468 -6.531 472 HA ARG 62 HA ARG 62 -3.540 9.323 -9.363 473 HB2 ARG 62 HB1 ARG 62 -1.223 10.785 -8.134 474 HB3 ARG 62 HB2 ARG 62 -0.939 10.033 -9.691 475 HG2 ARG 62 HG1 ARG 62 -3.256 11.941 -9.266 476 HG3 ARG 62 HG2 ARG 62 -1.574 12.507 -9.551 477 HD2 ARG 62 HD1 ARG 62 -2.455 12.560 -11.677 478 HD3 ARG 62 HD2 ARG 62 -1.643 10.997 -11.644 479 HE ARG 62 HE ARG 62 -4.462 10.919 -10.849 480 HH11 ARG 62 HH12 ARG 62 -2.306 10.787 -13.637 481 HH12 ARG 62 HH11 ARG 62 -3.547 10.221 -14.720 482 HH21 ARG 62 HH22 ARG 62 -6.038 10.158 -12.275 483 HH22 ARG 62 HH21 ARG 62 -5.628 9.781 -13.920 484 HA PRO 63 HA PRO 63 -1.205 5.465 -8.792 485 HB2 PRO 63 HB1 PRO 63 -1.048 4.495 -11.295 486 HB3 PRO 63 HB2 PRO 63 -2.627 4.623 -10.465 487 HG2 PRO 63 HG1 PRO 63 -1.412 6.564 -12.452 488 HG3 PRO 63 HG2 PRO 63 -3.080 5.884 -12.440 489 HD2 PRO 63 HD1 PRO 63 -2.414 8.363 -11.381 490 HD3 PRO 63 HD2 PRO 63 -3.749 7.359 -10.747 491 H VAL 64 H VAL 64 0.964 4.701 -9.046 492 HA VAL 64 HA VAL 64 2.860 6.524 -10.465 493 HB VAL 64 HB VAL 64 4.402 6.466 -8.546 494 HG11 VAL 64 HG11 VAL 64 3.339 8.141 -7.207 495 HG12 VAL 64 HG12 VAL 64 2.839 8.373 -8.889 496 HG13 VAL 64 HG13 VAL 64 1.720 7.618 -7.729 497 HG21 VAL 64 HG21 VAL 64 3.709 4.455 -7.389 498 HG22 VAL 64 HG22 VAL 64 3.659 5.838 -6.296 499 HG23 VAL 64 HG23 VAL 64 2.144 5.198 -6.958 500 HA PRO 65 HA PRO 65 4.460 2.780 -11.947 501 HB2 PRO 65 HB1 PRO 65 6.987 3.312 -12.700 502 HB3 PRO 65 HB2 PRO 65 5.589 4.183 -13.404 503 HG2 PRO 65 HG1 PRO 65 7.407 5.097 -11.156 504 HG3 PRO 65 HG2 PRO 65 6.902 6.018 -12.618 505 HD2 PRO 65 HD1 PRO 65 5.646 6.265 -10.181 506 HD3 PRO 65 HD2 PRO 65 4.768 6.416 -11.722 507 H PHE 66 H PHE 66 6.358 4.064 -9.247 508 HA PHE 66 HA PHE 66 6.572 1.591 -7.892 509 HB2 PHE 66 HB1 PHE 66 8.947 1.126 -8.051 510 HB3 PHE 66 HB2 PHE 66 8.183 0.963 -9.625 511 HD1 PHE 66 HD1 PHE 66 10.412 3.010 -7.530 512 HD2 PHE 66 HD2 PHE 66 8.738 2.479 -11.439 513 HE1 PHE 66 HE1 PHE 66 11.965 4.708 -8.354 514 HE2 PHE 66 HE2 PHE 66 10.383 4.146 -12.353 515 HZ PHE 66 HZ PHE 66 11.994 5.269 -10.813 516 H LEU 67 H LEU 67 7.972 1.703 -6.004 517 HA LEU 67 HA LEU 67 8.815 4.449 -5.140 518 HB2 LEU 67 HB1 LEU 67 8.326 2.056 -3.335 519 HB3 LEU 67 HB2 LEU 67 8.632 3.725 -2.841 520 HG LEU 67 HG LEU 67 6.085 2.612 -4.097 521 HD11 LEU 67 HD11 LEU 67 5.165 3.103 -1.842 522 HD12 LEU 67 HD12 LEU 67 6.804 3.644 -1.334 523 HD13 LEU 67 HD13 LEU 67 6.508 1.950 -1.775 524 HD21 LEU 67 HD21 LEU 67 5.070 4.783 -3.683 525 HD22 LEU 67 HD22 LEU 67 6.397 4.942 -4.838 526 HD23 LEU 67 HD23 LEU 67 6.632 5.450 -3.148 527 H GLU 68 H GLU 68 10.902 4.411 -3.935 528 HA GLU 68 HA GLU 68 12.547 1.987 -4.214 529 HB2 GLU 68 HB1 GLU 68 13.090 3.140 -6.265 530 HB3 GLU 68 HB2 GLU 68 13.347 4.666 -5.397 531 HG2 GLU 68 HG1 GLU 68 15.367 3.920 -4.441 532 HG3 GLU 68 HG2 GLU 68 14.949 2.198 -4.659 533 H VAL 69 H VAL 69 14.134 1.763 -2.716 534 HA VAL 69 HA VAL 69 14.634 3.939 -0.867 535 HB VAL 69 HB VAL 69 13.557 1.214 0.084 536 HG11 VAL 69 HG11 VAL 69 13.548 2.084 2.378 537 HG12 VAL 69 HG12 VAL 69 15.177 2.186 1.752 538 HG13 VAL 69 HG13 VAL 69 14.165 3.647 1.839 539 HG21 VAL 69 HG21 VAL 69 11.639 2.599 1.029 540 HG22 VAL 69 HG22 VAL 69 12.248 3.971 0.124 541 HG23 VAL 69 HG23 VAL 69 11.679 2.500 -0.722 542 HA PRO 70 HA PRO 70 18.716 2.190 -0.932 543 HB2 PRO 70 HB1 PRO 70 19.794 3.289 1.365 544 HB3 PRO 70 HB2 PRO 70 19.531 4.183 -0.163 545 HG2 PRO 70 HG1 PRO 70 17.699 4.061 2.252 546 HG3 PRO 70 HG2 PRO 70 18.274 5.522 1.366 547 HD2 PRO 70 HD1 PRO 70 15.860 4.468 0.808 548 HD3 PRO 70 HD2 PRO 70 16.926 4.990 -0.529 549 HA PRO 71 HA PRO 71 19.160 -1.377 1.783 550 HB2 PRO 71 HB1 PRO 71 21.807 -1.251 2.533 551 HB3 PRO 71 HB2 PRO 71 21.142 -1.896 1.000 552 HG2 PRO 71 HG1 PRO 71 22.368 0.799 1.520 553 HG3 PRO 71 HG2 PRO 71 22.552 -0.277 0.077 554 HD2 PRO 71 HD1 PRO 71 20.880 1.862 0.072 555 HD3 PRO 71 HD2 PRO 71 20.511 0.345 -0.801 556 H LYS 72 H LYS 72 19.158 -2.072 3.875 557 HA LYS 72 HA LYS 72 18.882 -2.058 6.091 558 HB2 LYS 72 HB1 LYS 72 20.621 0.408 6.213 559 HB3 LYS 72 HB2 LYS 72 20.362 -0.804 7.484 560 HG2 LYS 72 HG1 LYS 72 21.819 -1.206 4.848 561 HG3 LYS 72 HG2 LYS 72 22.541 -1.064 6.463 562 HD2 LYS 72 HD1 LYS 72 21.599 -3.214 7.123 563 HD3 LYS 72 HD2 LYS 72 20.655 -3.313 5.611 564 HE2 LYS 72 HE1 LYS 72 22.743 -3.297 4.303 565 HE3 LYS 72 HE2 LYS 72 23.701 -3.291 5.783 566 HZ1 LYS 72 HZ1 LYS 72 23.413 -5.486 4.779 567 HZ2 LYS 72 HZ2 LYS 72 21.789 -5.422 4.996 568 HZ3 LYS 72 HZ3 LYS 72 22.788 -5.460 6.302 569 H GLY 73 H GLY 73 17.634 0.470 4.364 570 HA2 GLY 73 HA3 GLY 73 16.320 1.918 6.530 571 HA3 GLY 73 HA2 GLY 73 15.975 2.072 4.792 572 H ARG 74 H ARG 74 14.120 1.940 7.094 573 HA ARG 74 HA ARG 74 12.429 -0.379 6.276 574 HB2 ARG 74 HB1 ARG 74 12.355 1.477 8.616 575 HB3 ARG 74 HB2 ARG 74 10.786 1.001 7.902 576 HG2 ARG 74 HG1 ARG 74 11.784 -1.426 8.062 577 HG3 ARG 74 HG2 ARG 74 12.801 -0.717 9.320 578 HD2 ARG 74 HD1 ARG 74 10.863 0.036 10.553 579 HD3 ARG 74 HD2 ARG 74 9.821 -0.571 9.261 580 HE ARG 74 HE ARG 74 11.125 -2.106 11.385 581 HH11 ARG 74 HH12 ARG 74 9.569 -2.454 8.195 582 HH12 ARG 74 HH11 ARG 74 9.508 -4.193 8.381 583 HH21 ARG 74 HH22 ARG 74 10.794 -4.356 11.537 584 HH22 ARG 74 HH21 ARG 74 10.224 -5.183 10.116 585 H VAL 75 H VAL 75 10.285 0.065 5.584 586 HA VAL 75 HA VAL 75 9.754 2.740 4.377 587 HB VAL 75 HB VAL 75 8.688 0.306 2.968 588 HG11 VAL 75 HG11 VAL 75 8.936 1.776 0.979 589 HG12 VAL 75 HG12 VAL 75 7.941 2.492 2.249 590 HG13 VAL 75 HG13 VAL 75 9.610 3.045 2.026 591 HG21 VAL 75 HG21 VAL 75 10.699 0.227 1.433 592 HG22 VAL 75 HG22 VAL 75 11.575 1.186 2.655 593 HG23 VAL 75 HG23 VAL 75 10.994 -0.421 3.050 594 H GLU 76 H GLU 76 7.536 3.355 4.621 595 HA GLU 76 HA GLU 76 5.586 1.171 4.935 596 HB2 GLU 76 HB1 GLU 76 4.400 3.063 6.450 597 HB3 GLU 76 HB2 GLU 76 5.226 1.578 7.010 598 HG2 GLU 76 HG1 GLU 76 5.894 3.402 8.382 599 HG3 GLU 76 HG2 GLU 76 7.281 2.875 7.438 600 H LEU 77 H LEU 77 3.739 1.440 3.766 601 HA LEU 77 HA LEU 77 3.537 3.840 2.027 602 HB2 LEU 77 HB1 LEU 77 2.123 1.184 2.123 603 HB3 LEU 77 HB2 LEU 77 1.391 2.605 1.312 604 HG LEU 77 HG LEU 77 3.717 2.762 0.092 605 HD11 LEU 77 HD11 LEU 77 4.879 0.928 1.298 606 HD12 LEU 77 HD12 LEU 77 4.729 0.582 -0.434 607 HD13 LEU 77 HD13 LEU 77 3.653 -0.224 0.714 608 HD21 LEU 77 HD21 LEU 77 1.518 0.786 -0.552 609 HD22 LEU 77 HD22 LEU 77 2.811 1.224 -1.696 610 HD23 LEU 77 HD23 LEU 77 1.695 2.461 -1.115 611 H LYS 78 H LYS 78 3.492 5.250 3.773 612 HA LYS 78 HA LYS 78 1.593 5.312 5.758 613 HB2 LYS 78 HB1 LYS 78 2.092 7.632 6.112 614 HB3 LYS 78 HB2 LYS 78 3.560 6.726 5.812 615 HG2 LYS 78 HG1 LYS 78 2.170 8.465 3.745 616 HG3 LYS 78 HG2 LYS 78 3.396 9.087 4.875 617 HD2 LYS 78 HD1 LYS 78 3.982 6.898 2.873 618 HD3 LYS 78 HD2 LYS 78 4.126 8.661 2.531 619 HE2 LYS 78 HE1 LYS 78 6.299 7.995 3.022 620 HE3 LYS 78 HE2 LYS 78 5.735 8.796 4.490 621 HZ1 LYS 78 HZ1 LYS 78 5.449 6.593 5.509 622 HZ2 LYS 78 HZ2 LYS 78 6.917 6.640 4.928 623 HZ3 LYS 78 HZ3 LYS 78 5.790 5.832 4.111 624 HA PRO 79 HA PRO 79 -2.339 6.295 3.826 625 HB2 PRO 79 HB1 PRO 79 -3.717 7.377 5.930 626 HB3 PRO 79 HB2 PRO 79 -3.324 5.632 5.852 627 HG2 PRO 79 HG1 PRO 79 -1.729 7.803 7.250 628 HG3 PRO 79 HG2 PRO 79 -2.353 6.280 7.959 629 HD2 PRO 79 HD1 PRO 79 0.183 6.396 7.049 630 HD3 PRO 79 HD2 PRO 79 -0.817 4.966 6.647 631 H GLY 80 H GLY 80 -0.425 8.715 5.559 632 HA2 GLY 80 HA3 GLY 80 -1.732 11.024 4.421 633 HA3 GLY 80 HA2 GLY 80 -0.195 10.973 5.314 634 H GLY 81 H GLY 81 -0.121 8.778 2.620 635 HA2 GLY 81 HA3 GLY 81 -0.034 10.579 0.523 636 HA3 GLY 81 HA2 GLY 81 1.644 10.487 1.104 637 H TYR 82 H TYR 82 0.885 7.343 1.441 638 HA TYR 82 HA TYR 82 0.684 6.669 -1.433 639 HB2 TYR 82 HB1 TYR 82 2.979 5.765 0.322 640 HB3 TYR 82 HB2 TYR 82 2.526 4.979 -1.203 641 HD1 TYR 82 HD1 TYR 82 4.012 7.963 0.333 642 HD2 TYR 82 HD2 TYR 82 2.840 6.122 -3.381 643 HE1 TYR 82 HE1 TYR 82 5.259 9.689 -0.908 644 HE2 TYR 82 HE2 TYR 82 4.211 7.757 -4.627 645 HH TYR 82 HH TYR 82 5.876 10.480 -3.012 646 H HIS 83 H HIS 83 -0.144 4.694 -1.914 647 HA HIS 83 HA HIS 83 -0.555 2.645 0.100 648 HB2 HIS 83 HB1 HIS 83 -2.989 2.630 0.081 649 HB3 HIS 83 HB2 HIS 83 -2.349 4.112 0.798 650 HD1 HIS 83 HD1 HIS 83 -2.540 6.364 -0.889 651 HD2 HIS 83 HD2 HIS 83 -4.442 2.819 -2.129 652 HE1 HIS 83 HE1 HIS 83 -3.944 6.957 -2.925 653 H PHE 84 H PHE 84 -1.238 0.672 -0.788 654 HA PHE 84 HA PHE 84 -1.308 0.455 -3.752 655 HB2 PHE 84 HB1 PHE 84 -1.522 -1.529 -1.471 656 HB3 PHE 84 HB2 PHE 84 -1.891 -1.960 -3.158 657 HD1 PHE 84 HD1 PHE 84 -0.103 -1.676 -4.927 658 HD2 PHE 84 HD2 PHE 84 0.780 -1.423 -0.716 659 HE1 PHE 84 HE1 PHE 84 2.257 -2.253 -5.382 660 HE2 PHE 84 HE2 PHE 84 3.136 -2.014 -1.176 661 HZ PHE 84 HZ PHE 84 3.869 -2.478 -3.486 662 H MET 85 H MET 85 -3.254 0.130 -4.830 663 HA MET 85 HA MET 85 -5.868 0.417 -3.409 664 HB2 MET 85 HB1 MET 85 -5.070 1.862 -5.508 665 HB3 MET 85 HB2 MET 85 -5.739 0.464 -6.368 666 HG2 MET 85 HG1 MET 85 -7.577 1.897 -6.147 667 HG3 MET 85 HG2 MET 85 -7.813 0.739 -4.841 668 HE1 MET 85 HE1 MET 85 -9.205 2.088 -2.948 669 HE2 MET 85 HE2 MET 85 -9.232 3.859 -3.024 670 HE3 MET 85 HE3 MET 85 -9.602 2.898 -4.480 671 H LEU 86 H LEU 86 -7.135 -1.357 -3.389 672 HA LEU 86 HA LEU 86 -6.321 -3.838 -4.877 673 HB2 LEU 86 HB1 LEU 86 -7.586 -3.373 -2.150 674 HB3 LEU 86 HB2 LEU 86 -7.645 -4.946 -2.994 675 HG LEU 86 HG LEU 86 -5.192 -5.108 -2.872 676 HD11 LEU 86 HD11 LEU 86 -3.950 -3.633 -1.253 677 HD12 LEU 86 HD12 LEU 86 -5.342 -2.527 -1.237 678 HD13 LEU 86 HD13 LEU 86 -4.407 -2.798 -2.728 679 HD21 LEU 86 HD21 LEU 86 -6.601 -4.550 -0.221 680 HD22 LEU 86 HD22 LEU 86 -5.136 -5.534 -0.425 681 HD23 LEU 86 HD23 LEU 86 -6.666 -6.073 -1.135 682 H LEU 87 H LEU 87 -7.871 -4.794 -6.126 683 HA LEU 87 HA LEU 87 -10.716 -3.973 -5.838 684 HB2 LEU 87 HB1 LEU 87 -9.185 -4.121 -8.466 685 HB3 LEU 87 HB2 LEU 87 -10.945 -3.903 -8.275 686 HG LEU 87 HG LEU 87 -10.178 -1.733 -6.925 687 HD11 LEU 87 HD11 LEU 87 -8.211 -0.647 -8.003 688 HD12 LEU 87 HD12 LEU 87 -7.857 -2.146 -8.883 689 HD13 LEU 87 HD13 LEU 87 -7.704 -2.087 -7.124 690 HD21 LEU 87 HD21 LEU 87 -10.171 -1.950 -9.965 691 HD22 LEU 87 HD22 LEU 87 -10.396 -0.454 -9.034 692 HD23 LEU 87 HD23 LEU 87 -11.600 -1.746 -8.925 693 H GLY 88 H GLY 88 -12.172 -5.600 -6.209 694 HA2 GLY 88 HA3 GLY 88 -12.968 -7.737 -6.671 695 HA3 GLY 88 HA2 GLY 88 -11.430 -8.127 -7.473 696 H LEU 89 H LEU 89 -11.915 -6.968 -4.122 697 HA LEU 89 HA LEU 89 -10.383 -9.002 -2.919 698 HB2 LEU 89 HB1 LEU 89 -11.831 -8.438 -0.823 699 HB3 LEU 89 HB2 LEU 89 -10.575 -7.359 -1.450 700 HG LEU 89 HG LEU 89 -12.316 -5.916 -2.429 701 HD11 LEU 89 HD11 LEU 89 -14.739 -6.325 -1.777 702 HD12 LEU 89 HD12 LEU 89 -14.275 -7.962 -1.292 703 HD13 LEU 89 HD13 LEU 89 -14.112 -7.451 -2.985 704 HD21 LEU 89 HD21 LEU 89 -12.914 -6.597 0.458 705 HD22 LEU 89 HD22 LEU 89 -13.236 -5.047 -0.343 706 HD23 LEU 89 HD23 LEU 89 -11.563 -5.572 -0.091 707 H LYS 90 H LYS 90 -10.713 -10.762 -1.845 708 HA LYS 90 HA LYS 90 -12.945 -12.387 -2.957 709 HB2 LYS 90 HB1 LYS 90 -10.205 -13.140 -2.064 710 HB3 LYS 90 HB2 LYS 90 -11.469 -14.322 -2.502 711 HG2 LYS 90 HG1 LYS 90 -11.284 -13.887 -4.729 712 HG3 LYS 90 HG2 LYS 90 -11.163 -12.123 -4.511 713 HD2 LYS 90 HD1 LYS 90 -8.876 -12.354 -3.715 714 HD3 LYS 90 HD2 LYS 90 -8.935 -14.089 -3.992 715 HE2 LYS 90 HE1 LYS 90 -9.217 -11.910 -6.103 716 HE3 LYS 90 HE2 LYS 90 -7.732 -12.820 -5.768 717 HZ1 LYS 90 HZ1 LYS 90 -8.748 -13.788 -7.617 718 HZ2 LYS 90 HZ2 LYS 90 -10.200 -13.696 -7.066 719 HZ3 LYS 90 HZ3 LYS 90 -9.162 -14.845 -6.403 720 H ARG 91 H ARG 91 -12.442 -10.828 -0.164 721 HA ARG 91 HA ARG 91 -14.311 -12.560 1.373 722 HB2 ARG 91 HB1 ARG 91 -12.076 -10.778 2.449 723 HB3 ARG 91 HB2 ARG 91 -13.316 -11.526 3.462 724 HG2 ARG 91 HG1 ARG 91 -11.327 -13.081 1.782 725 HG3 ARG 91 HG2 ARG 91 -11.050 -12.648 3.481 726 HD2 ARG 91 HD1 ARG 91 -13.442 -14.270 2.552 727 HD3 ARG 91 HD2 ARG 91 -11.880 -14.989 3.041 728 HE ARG 91 HE ARG 91 -12.506 -13.400 5.191 729 HH11 ARG 91 HH12 ARG 91 -14.273 -16.012 3.567 730 HH12 ARG 91 HH11 ARG 91 -14.969 -16.568 5.071 731 HH21 ARG 91 HH22 ARG 91 -13.312 -14.163 6.967 732 HH22 ARG 91 HH21 ARG 91 -14.439 -15.508 7.045 733 HA PRO 92 HA PRO 92 -16.236 -8.330 1.778 734 HB2 PRO 92 HB1 PRO 92 -17.938 -8.898 3.835 735 HB3 PRO 92 HB2 PRO 92 -18.342 -9.280 2.131 736 HG2 PRO 92 HG1 PRO 92 -17.280 -11.133 4.265 737 HG3 PRO 92 HG2 PRO 92 -18.578 -11.445 3.059 738 HD2 PRO 92 HD1 PRO 92 -15.937 -12.278 2.779 739 HD3 PRO 92 HD2 PRO 92 -17.013 -11.936 1.395 740 H LEU 93 H LEU 93 -14.892 -6.985 2.928 741 HA LEU 93 HA LEU 93 -12.754 -8.344 4.234 742 HB2 LEU 93 HB1 LEU 93 -12.911 -6.233 2.590 743 HB3 LEU 93 HB2 LEU 93 -12.854 -5.327 4.103 744 HG LEU 93 HG LEU 93 -10.726 -6.698 4.653 745 HD11 LEU 93 HD11 LEU 93 -9.514 -7.630 2.701 746 HD12 LEU 93 HD12 LEU 93 -10.928 -7.319 1.673 747 HD13 LEU 93 HD13 LEU 93 -11.017 -8.515 2.985 748 HD21 LEU 93 HD21 LEU 93 -10.576 -4.366 3.957 749 HD22 LEU 93 HD22 LEU 93 -10.744 -4.815 2.246 750 HD23 LEU 93 HD23 LEU 93 -9.293 -5.280 3.162 751 H LYS 94 H LYS 94 -13.750 -9.227 6.169 752 HA LYS 94 HA LYS 94 -15.150 -7.741 7.997 753 HB2 LYS 94 HB1 LYS 94 -15.156 -10.096 7.375 754 HB3 LYS 94 HB2 LYS 94 -13.552 -10.330 8.036 755 HG2 LYS 94 HG1 LYS 94 -16.112 -9.778 9.546 756 HG3 LYS 94 HG2 LYS 94 -15.178 -11.294 9.418 757 HD2 LYS 94 HD1 LYS 94 -13.244 -9.935 10.463 758 HD3 LYS 94 HD2 LYS 94 -14.491 -8.716 10.827 759 HE2 LYS 94 HE1 LYS 94 -15.624 -10.254 12.321 760 HE3 LYS 94 HE2 LYS 94 -14.504 -11.563 11.867 761 HZ1 LYS 94 HZ1 LYS 94 -13.885 -10.343 13.960 762 HZ2 LYS 94 HZ2 LYS 94 -13.616 -8.992 13.038 763 HZ3 LYS 94 HZ3 LYS 94 -12.699 -10.323 12.817 764 H ALA 95 H ALA 95 -14.363 -5.997 9.082 765 HA ALA 95 HA ALA 95 -11.859 -5.373 10.029 766 HB1 ALA 95 HB1 ALA 95 -13.797 -3.873 10.099 767 HB2 ALA 95 HB2 ALA 95 -14.537 -4.862 11.386 768 HB3 ALA 95 HB3 ALA 95 -13.022 -3.982 11.690 769 H GLY 96 H GLY 96 -10.487 -6.388 11.156 770 HA2 GLY 96 HA3 GLY 96 -9.497 -7.603 12.916 771 HA3 GLY 96 HA2 GLY 96 -11.110 -8.014 13.542 772 H GLU 97 H GLU 97 -9.917 -8.479 10.216 773 HA GLU 97 HA GLU 97 -9.195 -11.307 10.754 774 HB2 GLU 97 HB1 GLU 97 -9.667 -9.842 8.111 775 HB3 GLU 97 HB2 GLU 97 -8.957 -11.473 8.241 776 HG2 GLU 97 HG1 GLU 97 -11.003 -12.247 9.379 777 HG3 GLU 97 HG2 GLU 97 -11.734 -10.674 9.088 778 H GLU 98 H GLU 98 -7.234 -11.593 9.008 779 HA GLU 98 HA GLU 98 -5.086 -9.647 9.405 780 HB2 GLU 98 HB1 GLU 98 -5.078 -12.619 10.110 781 HB3 GLU 98 HB2 GLU 98 -3.596 -11.672 9.843 782 HG2 GLU 98 HG1 GLU 98 -3.943 -10.363 11.778 783 HG3 GLU 98 HG2 GLU 98 -5.653 -10.822 11.912 784 H VAL 99 H VAL 99 -4.326 -9.348 7.438 785 HA VAL 99 HA VAL 99 -4.866 -11.262 5.187 786 HB VAL 99 HB VAL 99 -5.392 -8.278 5.448 787 HG11 VAL 99 HG11 VAL 99 -4.060 -8.332 3.412 788 HG12 VAL 99 HG12 VAL 99 -4.933 -9.761 2.823 789 HG13 VAL 99 HG13 VAL 99 -5.754 -8.186 2.968 790 HG21 VAL 99 HG21 VAL 99 -7.542 -8.912 4.444 791 HG22 VAL 99 HG22 VAL 99 -6.976 -10.579 4.198 792 HG23 VAL 99 HG23 VAL 99 -7.220 -9.955 5.839 793 H GLU 100 H GLU 100 -3.059 -11.918 4.265 794 HA GLU 100 HA GLU 100 -0.588 -10.363 4.510 795 HB2 GLU 100 HB1 GLU 100 0.480 -12.168 3.229 796 HB3 GLU 100 HB2 GLU 100 -0.274 -12.693 4.745 797 HG2 GLU 100 HG1 GLU 100 -2.075 -13.751 3.586 798 HG3 GLU 100 HG2 GLU 100 -1.642 -12.966 2.049 799 H LEU 101 H LEU 101 0.570 -9.423 2.957 800 HA LEU 101 HA LEU 101 -0.459 -9.330 0.167 801 HB2 LEU 101 HB1 LEU 101 0.344 -7.081 1.937 802 HB3 LEU 101 HB2 LEU 101 1.118 -7.101 0.324 803 HG LEU 101 HG LEU 101 -1.156 -7.182 -0.699 804 HD11 LEU 101 HD11 LEU 101 -2.496 -7.927 1.292 805 HD12 LEU 101 HD12 LEU 101 -3.111 -6.460 0.540 806 HD13 LEU 101 HD13 LEU 101 -2.191 -6.359 2.047 807 HD21 LEU 101 HD21 LEU 101 -1.562 -4.790 -0.441 808 HD22 LEU 101 HD22 LEU 101 0.174 -5.123 -0.560 809 HD23 LEU 101 HD23 LEU 101 -0.552 -4.755 1.023 810 H ASP 102 H ASP 102 0.915 -9.778 -1.306 811 HA ASP 102 HA ASP 102 3.781 -10.503 -0.927 812 HB2 ASP 102 HB1 ASP 102 1.707 -10.567 -3.088 813 HB3 ASP 102 HB2 ASP 102 3.374 -10.370 -3.610 814 H LEU 103 H LEU 103 5.377 -9.177 -1.787 815 HA LEU 103 HA LEU 103 4.639 -6.512 -2.920 816 HB2 LEU 103 HB1 LEU 103 6.866 -7.197 -0.976 817 HB3 LEU 103 HB2 LEU 103 6.630 -5.634 -1.789 818 HG LEU 103 HG LEU 103 4.237 -5.781 -0.568 819 HD11 LEU 103 HD11 LEU 103 6.073 -7.453 1.223 820 HD12 LEU 103 HD12 LEU 103 4.562 -8.007 0.490 821 HD13 LEU 103 HD13 LEU 103 4.519 -6.767 1.732 822 HD21 LEU 103 HD21 LEU 103 5.907 -4.008 -0.248 823 HD22 LEU 103 HD22 LEU 103 6.848 -5.066 0.832 824 HD23 LEU 103 HD23 LEU 103 5.238 -4.498 1.314 825 H LEU 104 H LEU 104 5.652 -6.041 -4.778 826 HA LEU 104 HA LEU 104 7.531 -8.065 -5.929 827 HB2 LEU 104 HB1 LEU 104 5.623 -6.068 -7.195 828 HB3 LEU 104 HB2 LEU 104 6.656 -7.150 -8.110 829 HG LEU 104 HG LEU 104 4.333 -7.917 -6.280 830 HD11 LEU 104 HD11 LEU 104 4.692 -8.178 -9.296 831 HD12 LEU 104 HD12 LEU 104 3.651 -7.005 -8.462 832 HD13 LEU 104 HD13 LEU 104 3.287 -8.730 -8.356 833 HD21 LEU 104 HD21 LEU 104 4.671 -10.251 -7.075 834 HD22 LEU 104 HD22 LEU 104 6.015 -9.677 -6.090 835 HD23 LEU 104 HD23 LEU 104 6.187 -9.749 -7.861 836 H PHE 105 H PHE 105 9.550 -7.527 -6.038 837 HA PHE 105 HA PHE 105 10.373 -4.667 -5.935 838 HB2 PHE 105 HB1 PHE 105 11.569 -7.185 -4.787 839 HB3 PHE 105 HB2 PHE 105 12.446 -5.649 -4.864 840 HD1 PHE 105 HD1 PHE 105 11.372 -3.590 -3.733 841 HD2 PHE 105 HD2 PHE 105 10.084 -7.641 -2.999 842 HE1 PHE 105 HE1 PHE 105 10.323 -2.874 -1.593 843 HE2 PHE 105 HE2 PHE 105 9.054 -6.910 -0.866 844 HZ PHE 105 HZ PHE 105 9.133 -4.533 -0.187 845 H ALA 106 H ALA 106 11.304 -3.919 -7.687 846 HA ALA 106 HA ALA 106 12.320 -3.705 -9.713 847 HB1 ALA 106 HB1 ALA 106 14.271 -5.673 -8.443 848 HB2 ALA 106 HB2 ALA 106 14.637 -4.492 -9.712 849 HB3 ALA 106 HB3 ALA 106 14.197 -3.929 -8.088 850 H GLY 107 H GLY 107 10.352 -5.991 -9.595 851 HA2 GLY 107 HA3 GLY 107 9.498 -7.506 -11.146 852 HA3 GLY 107 HA2 GLY 107 10.987 -7.371 -12.108 853 H GLY 108 H GLY 108 12.994 -8.156 -10.715 854 HA2 GLY 108 HA3 GLY 108 12.606 -10.982 -10.703 855 HA3 GLY 108 HA2 GLY 108 14.137 -10.114 -10.447 856 H LYS 109 H LYS 109 11.972 -9.148 -8.023 857 HA LYS 109 HA LYS 109 12.643 -11.425 -6.209 858 HB2 LYS 109 HB1 LYS 109 13.186 -8.475 -5.805 859 HB3 LYS 109 HB2 LYS 109 12.906 -9.537 -4.405 860 HG2 LYS 109 HG1 LYS 109 14.818 -10.880 -4.923 861 HG3 LYS 109 HG2 LYS 109 15.011 -10.112 -6.514 862 HD2 LYS 109 HD1 LYS 109 15.534 -7.956 -5.428 863 HD3 LYS 109 HD2 LYS 109 15.279 -8.688 -3.827 864 HE2 LYS 109 HE1 LYS 109 17.151 -10.245 -4.233 865 HE3 LYS 109 HE2 LYS 109 17.368 -9.588 -5.869 866 HZ1 LYS 109 HZ1 LYS 109 17.684 -8.032 -3.360 867 HZ2 LYS 109 HZ2 LYS 109 18.000 -7.494 -4.883 868 HZ3 LYS 109 HZ3 LYS 109 18.926 -8.677 -4.221 869 H VAL 110 H VAL 110 11.110 -12.016 -4.832 870 HA VAL 110 HA VAL 110 8.723 -10.307 -4.386 871 HB VAL 110 HB VAL 110 8.591 -13.339 -4.640 872 HG11 VAL 110 HG11 VAL 110 6.097 -12.923 -4.726 873 HG12 VAL 110 HG12 VAL 110 6.814 -12.506 -3.176 874 HG13 VAL 110 HG13 VAL 110 6.395 -11.223 -4.328 875 HG21 VAL 110 HG21 VAL 110 7.795 -11.208 -6.661 876 HG22 VAL 110 HG22 VAL 110 9.003 -12.490 -6.869 877 HG23 VAL 110 HG23 VAL 110 7.293 -12.909 -6.752 878 H LEU 111 H LEU 111 7.887 -10.376 -2.343 879 HA LEU 111 HA LEU 111 8.895 -12.102 -0.192 880 HB2 LEU 111 HB1 LEU 111 10.565 -10.331 -0.284 881 HB3 LEU 111 HB2 LEU 111 9.322 -9.081 -0.307 882 HG LEU 111 HG LEU 111 9.360 -10.927 2.064 883 HD11 LEU 111 HD11 LEU 111 11.493 -8.792 1.627 884 HD12 LEU 111 HD12 LEU 111 11.763 -10.547 1.719 885 HD13 LEU 111 HD13 LEU 111 11.191 -9.667 3.143 886 HD21 LEU 111 HD21 LEU 111 7.764 -8.979 1.908 887 HD22 LEU 111 HD22 LEU 111 9.149 -7.881 1.824 888 HD23 LEU 111 HD23 LEU 111 8.862 -8.847 3.287 889 H LYS 112 H LYS 112 7.399 -11.748 1.802 890 HA LYS 112 HA LYS 112 5.034 -10.138 1.230 891 HB2 LYS 112 HB1 LYS 112 3.393 -11.766 1.327 892 HB3 LYS 112 HB2 LYS 112 4.566 -12.285 0.108 893 HG2 LYS 112 HG1 LYS 112 5.387 -14.036 1.621 894 HG3 LYS 112 HG2 LYS 112 4.294 -13.460 2.907 895 HD2 LYS 112 HD1 LYS 112 2.349 -13.792 1.410 896 HD3 LYS 112 HD2 LYS 112 3.422 -14.406 0.136 897 HE2 LYS 112 HE1 LYS 112 3.968 -16.364 1.458 898 HE3 LYS 112 HE2 LYS 112 3.081 -15.691 2.861 899 HZ1 LYS 112 HZ1 LYS 112 1.071 -15.846 1.715 900 HZ2 LYS 112 HZ2 LYS 112 1.758 -17.308 1.541 901 HZ3 LYS 112 HZ3 LYS 112 1.736 -16.210 0.282 902 H VAL 113 H VAL 113 3.570 -9.803 2.940 903 HA VAL 113 HA VAL 113 4.593 -10.327 5.684 904 HB VAL 113 HB VAL 113 3.913 -7.476 4.942 905 HG11 VAL 113 HG11 VAL 113 3.974 -7.956 7.354 906 HG12 VAL 113 HG12 VAL 113 5.580 -8.697 7.192 907 HG13 VAL 113 HG13 VAL 113 5.351 -6.956 6.931 908 HG21 VAL 113 HG21 VAL 113 5.846 -7.983 3.489 909 HG22 VAL 113 HG22 VAL 113 6.323 -6.902 4.793 910 HG23 VAL 113 HG23 VAL 113 6.741 -8.628 4.881 911 H VAL 114 H VAL 114 3.004 -9.585 7.330 912 HA VAL 114 HA VAL 114 0.211 -10.086 6.436 913 HB VAL 114 HB VAL 114 1.472 -10.210 9.201 914 HG11 VAL 114 HG11 VAL 114 -0.866 -9.572 9.549 915 HG12 VAL 114 HG12 VAL 114 -1.412 -10.740 8.319 916 HG13 VAL 114 HG13 VAL 114 -0.733 -11.294 9.864 917 HG21 VAL 114 HG21 VAL 114 0.411 -12.377 7.340 918 HG22 VAL 114 HG22 VAL 114 2.115 -12.096 7.762 919 HG23 VAL 114 HG23 VAL 114 0.985 -12.637 9.003 920 H LEU 115 H LEU 115 -1.447 -8.727 7.337 921 HA LEU 115 HA LEU 115 -0.812 -6.434 8.883 922 HB2 LEU 115 HB1 LEU 115 -2.092 -4.831 7.385 923 HB3 LEU 115 HB2 LEU 115 -0.388 -5.144 7.045 924 HG LEU 115 HG LEU 115 -2.607 -6.529 5.497 925 HD11 LEU 115 HD11 LEU 115 -2.431 -4.688 3.853 926 HD12 LEU 115 HD12 LEU 115 -1.380 -3.791 4.975 927 HD13 LEU 115 HD13 LEU 115 -3.061 -4.143 5.414 928 HD21 LEU 115 HD21 LEU 115 -0.754 -6.344 3.697 929 HD22 LEU 115 HD22 LEU 115 -0.424 -7.475 4.997 930 HD23 LEU 115 HD23 LEU 115 0.342 -5.880 5.007 931 HA PRO 116 HA PRO 116 -4.944 -7.646 10.211 932 HB2 PRO 116 HB1 PRO 116 -5.614 -5.550 11.844 933 HB3 PRO 116 HB2 PRO 116 -4.456 -6.830 12.306 934 HG2 PRO 116 HG1 PRO 116 -3.840 -4.100 11.145 935 HG3 PRO 116 HG2 PRO 116 -3.097 -4.884 12.584 936 HD2 PRO 116 HD1 PRO 116 -1.882 -4.973 10.163 937 HD3 PRO 116 HD2 PRO 116 -1.885 -6.410 11.224 938 H VAL 117 H VAL 117 -7.042 -7.325 9.591 939 HA VAL 117 HA VAL 117 -7.652 -5.100 7.723 940 HB VAL 117 HB VAL 117 -9.483 -7.266 8.829 941 HG11 VAL 117 HG11 VAL 117 -9.906 -5.238 6.565 942 HG12 VAL 117 HG12 VAL 117 -11.010 -6.558 7.002 943 HG13 VAL 117 HG13 VAL 117 -10.747 -5.226 8.123 944 HG21 VAL 117 HG21 VAL 117 -7.755 -8.219 7.370 945 HG22 VAL 117 HG22 VAL 117 -9.292 -8.184 6.493 946 HG23 VAL 117 HG23 VAL 117 -8.047 -6.968 6.140 947 H GLU 118 H GLU 118 -8.174 -3.175 8.446 948 HA GLU 118 HA GLU 118 -9.683 -2.766 10.979 949 HB2 GLU 118 HB1 GLU 118 -7.088 -1.447 10.111 950 HB3 GLU 118 HB2 GLU 118 -8.161 -0.817 11.392 951 HG2 GLU 118 HG1 GLU 118 -7.833 -2.996 12.625 952 HG3 GLU 118 HG2 GLU 118 -6.581 -3.406 11.432 953 H ALA 119 H ALA 119 -10.154 -0.240 11.054 954 HA ALA 119 HA ALA 119 -11.020 0.661 8.358 955 HB1 ALA 119 HB1 ALA 119 -12.401 1.100 11.034 956 HB2 ALA 119 HB2 ALA 119 -12.916 1.761 9.467 957 HB3 ALA 119 HB3 ALA 119 -12.945 0.008 9.732 958 H ARG 120 H ARG 120 -10.399 2.500 7.718 959 HA ARG 120 HA ARG 120 -10.472 4.948 8.551 960 HB2 ARG 120 HB1 ARG 120 -8.296 5.810 9.263 961 HB3 ARG 120 HB2 ARG 120 -9.129 4.809 10.465 962 HG2 ARG 120 HG1 ARG 120 -7.565 2.898 9.513 963 HG3 ARG 120 HG2 ARG 120 -6.597 4.247 8.885 964 HD2 ARG 120 HD1 ARG 120 -6.238 5.132 11.084 965 HD3 ARG 120 HD2 ARG 120 -7.491 4.093 11.792 966 HE ARG 120 HE ARG 120 -4.730 3.326 11.080 967 HH11 ARG 120 HH12 ARG 120 -7.883 2.107 12.118 968 HH12 ARG 120 HH11 ARG 120 -7.087 0.705 12.875 969 HH21 ARG 120 HH22 ARG 120 -4.042 1.245 11.626 970 HH22 ARG 120 HH21 ARG 120 -5.105 0.206 12.505 Start of MODEL 24 1 H1 GLY 1 1H GLY 1 13.374 -2.671 12.506 2 H2 GLY 1 2H GLY 1 13.849 -4.228 12.555 3 H3 GLY 1 3H GLY 1 14.610 -3.185 11.568 4 HA2 GLY 1 HA3 GLY 1 15.997 -3.626 13.508 5 HA3 GLY 1 HA2 GLY 1 15.467 -1.929 13.478 6 H SER 2 H SER 2 14.367 -1.175 15.295 7 HA SER 2 HA SER 2 12.435 -2.796 16.773 8 HB2 SER 2 HB1 SER 2 11.217 -0.581 16.750 9 HB3 SER 2 HB2 SER 2 12.850 -0.480 17.461 10 HG SER 2 HG SER 2 12.128 0.203 14.781 11 H PHE 3 H PHE 3 10.613 -3.726 15.780 12 HA PHE 3 HA PHE 3 10.310 -3.311 12.841 13 HB2 PHE 3 HB1 PHE 3 9.314 -5.566 12.881 14 HB3 PHE 3 HB2 PHE 3 11.005 -5.540 13.403 15 HD1 PHE 3 HD1 PHE 3 7.484 -6.050 14.474 16 HD2 PHE 3 HD2 PHE 3 11.622 -6.112 15.705 17 HE1 PHE 3 HE1 PHE 3 6.850 -7.224 16.559 18 HE2 PHE 3 HE2 PHE 3 10.976 -7.279 17.796 19 HZ PHE 3 HZ PHE 3 8.589 -7.835 18.230 20 H THR 4 H THR 4 8.286 -3.130 11.951 21 HA THR 4 HA THR 4 5.873 -2.778 13.635 22 HB THR 4 HB THR 4 5.378 -0.647 12.344 23 HG1 THR 4 HG1 THR 4 7.086 -1.082 10.847 24 HG21 THR 4 HG21 THR 4 6.119 -0.567 14.731 25 HG22 THR 4 HG22 THR 4 6.638 0.842 13.783 26 HG23 THR 4 HG23 THR 4 7.804 -0.435 14.176 27 H GLU 5 H GLU 5 4.256 -3.816 12.633 28 HA GLU 5 HA GLU 5 4.511 -4.564 9.792 29 HB2 GLU 5 HB1 GLU 5 3.626 -5.991 11.923 30 HB3 GLU 5 HB2 GLU 5 2.084 -5.335 11.367 31 HG2 GLU 5 HG1 GLU 5 2.525 -6.227 9.100 32 HG3 GLU 5 HG2 GLU 5 4.122 -6.807 9.637 33 H GLY 6 H GLY 6 2.062 -4.488 8.775 34 HA2 GLY 6 HA3 GLY 6 1.237 -1.619 8.852 35 HA3 GLY 6 HA2 GLY 6 1.281 -2.588 7.362 36 H TRP 7 H TRP 7 -1.045 -1.593 7.495 37 HA TRP 7 HA TRP 7 -2.800 -3.775 8.464 38 HB2 TRP 7 HB1 TRP 7 -4.274 -2.436 9.661 39 HB3 TRP 7 HB2 TRP 7 -2.693 -1.995 10.261 40 HD1 TRP 7 HD TRP 7 -5.834 -0.579 9.373 41 HE1 TRP 7 HE1 TRP 7 -5.767 1.919 8.857 42 HE3 TRP 7 3HE TRP 7 -0.760 0.027 8.931 43 HZ2 TRP 7 HZ2 TRP 7 -3.764 3.950 8.375 44 HZ3 TRP 7 HZ3 TRP 7 0.193 2.245 8.475 45 HH2 TRP 7 HH TRP 7 -1.276 4.229 8.239 46 H VAL 8 H VAL 8 -5.127 -3.366 7.820 47 HA VAL 8 HA VAL 8 -5.445 -1.947 5.202 48 HB VAL 8 HB VAL 8 -6.880 -4.400 6.294 49 HG11 VAL 8 HG11 VAL 8 -7.633 -2.757 3.843 50 HG12 VAL 8 HG12 VAL 8 -8.328 -4.320 4.317 51 HG13 VAL 8 HG13 VAL 8 -8.593 -2.904 5.333 52 HG21 VAL 8 HG21 VAL 8 -6.215 -5.466 4.175 53 HG22 VAL 8 HG22 VAL 8 -5.386 -3.975 3.679 54 HG23 VAL 8 HG23 VAL 8 -4.800 -4.906 5.067 55 H ARG 9 H ARG 9 -6.704 -0.207 5.424 56 HA ARG 9 HA ARG 9 -8.229 0.229 7.945 57 HB2 ARG 9 HB1 ARG 9 -6.716 1.989 6.650 58 HB3 ARG 9 HB2 ARG 9 -8.176 2.191 5.667 59 HG2 ARG 9 HG1 ARG 9 -9.352 2.379 8.052 60 HG3 ARG 9 HG2 ARG 9 -7.703 2.781 8.591 61 HD2 ARG 9 HD1 ARG 9 -8.699 4.878 8.071 62 HD3 ARG 9 HD2 ARG 9 -7.683 4.511 6.666 63 HE ARG 9 HE ARG 9 -9.610 4.273 5.364 64 HH11 ARG 9 HH12 ARG 9 -10.584 4.341 8.789 65 HH12 ARG 9 HH11 ARG 9 -12.263 4.538 8.386 66 HH21 ARG 9 HH22 ARG 9 -11.828 4.413 4.928 67 HH22 ARG 9 HH21 ARG 9 -12.949 4.508 6.246 68 H PHE 10 H PHE 10 -10.421 -0.099 7.974 69 HA PHE 10 HA PHE 10 -11.705 -1.580 5.996 70 HB2 PHE 10 HB1 PHE 10 -12.568 -1.565 8.242 71 HB3 PHE 10 HB2 PHE 10 -12.877 0.183 8.171 72 HD1 PHE 10 HD1 PHE 10 -14.009 -3.125 6.936 73 HD2 PHE 10 HD2 PHE 10 -14.767 1.104 6.968 74 HE1 PHE 10 HE1 PHE 10 -16.171 -3.502 5.756 75 HE2 PHE 10 HE2 PHE 10 -16.771 0.755 5.563 76 HZ PHE 10 HZ PHE 10 -17.565 -1.563 5.071 77 H SER 11 H SER 11 -11.996 -0.954 3.911 78 HA SER 11 HA SER 11 -14.246 0.728 3.312 79 HB2 SER 11 HB1 SER 11 -11.398 1.470 2.501 80 HB3 SER 11 HB2 SER 11 -12.819 1.927 1.548 81 HG SER 11 HG SER 11 -12.658 2.412 4.315 82 HA PRO 12 HA PRO 12 -13.468 -2.846 0.485 83 HB2 PRO 12 HB1 PRO 12 -15.872 -4.009 0.495 84 HB3 PRO 12 HB2 PRO 12 -14.916 -3.921 2.013 85 HG2 PRO 12 HG1 PRO 12 -17.130 -2.039 1.136 86 HG3 PRO 12 HG2 PRO 12 -16.971 -2.913 2.707 87 HD2 PRO 12 HD1 PRO 12 -16.081 -0.322 2.322 88 HD3 PRO 12 HD2 PRO 12 -15.288 -1.491 3.431 89 H GLY 13 H GLY 13 -16.409 -3.041 -0.921 90 HA2 GLY 13 HA3 GLY 13 -17.516 -2.023 -2.709 91 HA3 GLY 13 HA2 GLY 13 -16.330 -0.698 -2.681 92 HA PRO 14 HA PRO 14 -15.423 -3.251 -6.439 93 HB2 PRO 14 HB1 PRO 14 -14.905 -1.202 -8.186 94 HB3 PRO 14 HB2 PRO 14 -16.559 -1.762 -7.786 95 HG2 PRO 14 HG1 PRO 14 -15.052 0.591 -6.626 96 HG3 PRO 14 HG2 PRO 14 -16.753 0.539 -7.212 97 HD2 PRO 14 HD1 PRO 14 -16.092 0.314 -4.558 98 HD3 PRO 14 HD2 PRO 14 -17.475 -0.568 -5.266 99 H ASN 15 H ASN 15 -13.571 -0.474 -5.060 100 HA ASN 15 HA ASN 15 -11.184 -2.134 -5.170 101 HB2 ASN 15 HB1 ASN 15 -10.017 0.188 -5.415 102 HB3 ASN 15 HB2 ASN 15 -10.530 -0.734 -6.820 103 HD21 ASN 15 HD21 ASN 15 -12.636 0.050 -7.898 104 HD22 ASN 15 HD22 ASN 15 -12.944 1.785 -7.788 105 H ALA 16 H ALA 16 -10.378 -2.373 -3.310 106 HA ALA 16 HA ALA 16 -11.089 -0.683 -0.945 107 HB1 ALA 16 HB1 ALA 16 -9.856 -3.470 -1.206 108 HB2 ALA 16 HB2 ALA 16 -10.177 -2.636 0.330 109 HB3 ALA 16 HB3 ALA 16 -11.523 -3.064 -0.728 110 H ALA 17 H ALA 17 -8.993 -0.775 0.686 111 HA ALA 17 HA ALA 17 -6.519 0.031 -0.849 112 HB1 ALA 17 HB1 ALA 17 -6.460 2.114 0.419 113 HB2 ALA 17 HB2 ALA 17 -7.893 2.004 -0.619 114 HB3 ALA 17 HB3 ALA 17 -8.068 1.733 1.120 115 H ALA 18 H ALA 18 -4.681 -0.526 0.174 116 HA ALA 18 HA ALA 18 -4.695 -1.516 2.992 117 HB1 ALA 18 HB1 ALA 18 -3.358 -3.424 2.304 118 HB2 ALA 18 HB2 ALA 18 -4.860 -3.422 1.360 119 HB3 ALA 18 HB3 ALA 18 -3.328 -2.860 0.629 120 H TYR 19 H TYR 19 -2.806 -1.359 4.112 121 HA TYR 19 HA TYR 19 -0.976 0.778 3.139 122 HB2 TYR 19 HB1 TYR 19 -2.450 0.689 5.795 123 HB3 TYR 19 HB2 TYR 19 -1.519 2.037 5.147 124 HD1 TYR 19 HD2 TYR 19 -2.450 3.301 3.121 125 HD2 TYR 19 HD1 TYR 19 -4.694 0.281 5.196 126 HE1 TYR 19 HE2 TYR 19 -4.577 4.221 2.164 127 HE2 TYR 19 HE1 TYR 19 -6.806 1.143 4.156 128 HH TYR 19 HH TYR 19 -7.741 2.782 2.930 129 H LEU 20 H LEU 20 0.325 -1.298 2.977 130 HA LEU 20 HA LEU 20 1.158 -2.594 5.360 131 HB2 LEU 20 HB1 LEU 20 2.598 -3.890 4.018 132 HB3 LEU 20 HB2 LEU 20 1.088 -3.606 3.126 133 HG LEU 20 HG LEU 20 2.446 -1.675 1.983 134 HD11 LEU 20 HD11 LEU 20 4.683 -3.399 3.134 135 HD12 LEU 20 HD12 LEU 20 4.504 -1.642 3.251 136 HD13 LEU 20 HD13 LEU 20 4.904 -2.360 1.708 137 HD21 LEU 20 HD21 LEU 20 2.865 -4.633 1.443 138 HD22 LEU 20 HD22 LEU 20 3.351 -3.351 0.313 139 HD23 LEU 20 HD23 LEU 20 1.648 -3.541 0.743 140 H THR 21 H THR 21 3.363 -2.865 6.109 141 HA THR 21 HA THR 21 5.113 -0.464 5.947 142 HB THR 21 HB THR 21 4.844 -2.183 8.435 143 HG1 THR 21 HG1 THR 21 3.343 -0.940 9.184 144 HG21 THR 21 HG21 THR 21 6.881 -0.852 8.371 145 HG22 THR 21 HG22 THR 21 5.753 -0.078 9.500 146 HG23 THR 21 HG23 THR 21 5.971 0.601 7.880 147 H LEU 22 H LEU 22 7.283 -0.999 5.753 148 HA LEU 22 HA LEU 22 8.250 -3.725 6.234 149 HB2 LEU 22 HB1 LEU 22 7.429 -2.961 3.625 150 HB3 LEU 22 HB2 LEU 22 9.206 -2.868 3.604 151 HG LEU 22 HG LEU 22 8.592 -4.943 2.729 152 HD11 LEU 22 HD11 LEU 22 9.527 -5.447 5.583 153 HD12 LEU 22 HD12 LEU 22 10.547 -5.078 4.169 154 HD13 LEU 22 HD13 LEU 22 9.627 -6.584 4.235 155 HD21 LEU 22 HD21 LEU 22 7.160 -6.555 3.743 156 HD22 LEU 22 HD22 LEU 22 6.286 -5.018 3.720 157 HD23 LEU 22 HD23 LEU 22 7.021 -5.585 5.231 158 H GLU 23 H GLU 23 10.699 -3.807 5.921 159 HA GLU 23 HA GLU 23 12.022 -1.171 5.847 160 HB2 GLU 23 HB1 GLU 23 13.572 -1.721 7.575 161 HB3 GLU 23 HB2 GLU 23 11.918 -1.776 8.220 162 HG2 GLU 23 HG1 GLU 23 11.991 -4.276 8.028 163 HG3 GLU 23 HG2 GLU 23 13.685 -4.159 7.502 164 H ASN 24 H ASN 24 14.135 -1.210 5.025 165 HA ASN 24 HA ASN 24 14.852 -3.609 3.382 166 HB2 ASN 24 HB1 ASN 24 14.556 -1.393 2.276 167 HB3 ASN 24 HB2 ASN 24 15.880 -0.746 3.252 168 HD21 ASN 24 HD21 ASN 24 16.630 -0.379 0.910 169 HD22 ASN 24 HD22 ASN 24 17.671 -1.659 0.276 170 HA PRO 25 HA PRO 25 17.741 -3.752 6.933 171 HB2 PRO 25 HB1 PRO 25 18.157 -6.463 7.051 172 HB3 PRO 25 HB2 PRO 25 16.661 -5.698 7.665 173 HG2 PRO 25 HG1 PRO 25 17.111 -6.933 4.924 174 HG3 PRO 25 HG2 PRO 25 15.783 -7.299 6.080 175 HD2 PRO 25 HD1 PRO 25 15.429 -5.522 4.065 176 HD3 PRO 25 HD2 PRO 25 14.771 -5.195 5.697 177 H GLY 26 H GLY 26 18.183 -4.756 3.593 178 HA2 GLY 26 HA3 GLY 26 20.998 -5.451 3.896 179 HA3 GLY 26 HA2 GLY 26 20.043 -5.381 2.397 180 H ASP 27 H ASP 27 22.317 -4.445 2.000 181 HA ASP 27 HA ASP 27 22.549 -1.549 2.511 182 HB2 ASP 27 HB1 ASP 27 24.401 -3.898 2.106 183 HB3 ASP 27 HB2 ASP 27 24.941 -2.222 1.956 184 H LEU 28 H LEU 28 21.353 -3.389 0.233 185 HA LEU 28 HA LEU 28 22.080 -1.630 -2.039 186 HB2 LEU 28 HB1 LEU 28 21.089 -3.308 -3.503 187 HB3 LEU 28 HB2 LEU 28 22.407 -3.958 -2.479 188 HG LEU 28 HG LEU 28 20.451 -4.841 -0.973 189 HD11 LEU 28 HD11 LEU 28 18.969 -4.451 -3.623 190 HD12 LEU 28 HD12 LEU 28 18.511 -3.768 -2.049 191 HD13 LEU 28 HD13 LEU 28 18.423 -5.503 -2.299 192 HD21 LEU 28 HD21 LEU 28 20.356 -6.915 -2.311 193 HD22 LEU 28 HD22 LEU 28 21.998 -6.264 -2.262 194 HD23 LEU 28 HD23 LEU 28 21.005 -6.046 -3.720 195 HA PRO 29 HA PRO 29 18.083 0.196 -1.410 196 HB2 PRO 29 HB1 PRO 29 17.519 1.377 -3.782 197 HB3 PRO 29 HB2 PRO 29 18.922 1.874 -2.788 198 HG2 PRO 29 HG1 PRO 29 18.885 0.043 -5.190 199 HG3 PRO 29 HG2 PRO 29 20.048 1.362 -4.810 200 HD2 PRO 29 HD1 PRO 29 20.471 -1.352 -4.300 201 HD3 PRO 29 HD2 PRO 29 21.277 -0.059 -3.393 202 H LEU 30 H LEU 30 15.830 -0.102 -1.679 203 HA LEU 30 HA LEU 30 15.013 -2.348 -3.452 204 HB2 LEU 30 HB1 LEU 30 13.840 -1.320 -0.861 205 HB3 LEU 30 HB2 LEU 30 12.872 -2.288 -1.985 206 HG LEU 30 HG LEU 30 15.513 -3.167 -0.845 207 HD11 LEU 30 HD11 LEU 30 12.708 -4.038 0.032 208 HD12 LEU 30 HD12 LEU 30 13.673 -2.853 0.913 209 HD13 LEU 30 HD13 LEU 30 14.247 -4.524 0.777 210 HD21 LEU 30 HD21 LEU 30 14.998 -4.413 -2.862 211 HD22 LEU 30 HD22 LEU 30 13.362 -4.768 -2.254 212 HD23 LEU 30 HD23 LEU 30 14.790 -5.447 -1.444 213 H ARG 31 H ARG 31 13.376 -2.220 -4.586 214 HA ARG 31 HA ARG 31 12.022 0.377 -5.218 215 HB2 ARG 31 HB1 ARG 31 13.836 0.002 -6.864 216 HB3 ARG 31 HB2 ARG 31 13.102 -1.567 -7.278 217 HG2 ARG 31 HG1 ARG 31 11.749 -0.590 -8.749 218 HG3 ARG 31 HG2 ARG 31 11.096 0.504 -7.510 219 HD2 ARG 31 HD1 ARG 31 11.925 1.802 -9.332 220 HD3 ARG 31 HD2 ARG 31 12.941 2.094 -7.940 221 HE ARG 31 HE ARG 31 13.598 0.556 -10.413 222 HH11 ARG 31 HH12 ARG 31 14.907 1.945 -7.390 223 HH12 ARG 31 HH11 ARG 31 16.462 2.161 -8.027 224 HH21 ARG 31 HH22 ARG 31 15.699 0.794 -11.195 225 HH22 ARG 31 HH21 ARG 31 16.930 1.444 -10.146 226 H LEU 32 H LEU 32 9.941 0.010 -4.778 227 HA LEU 32 HA LEU 32 8.792 -2.750 -4.782 228 HB2 LEU 32 HB1 LEU 32 8.808 -1.497 -2.722 229 HB3 LEU 32 HB2 LEU 32 8.039 -0.102 -3.486 230 HG LEU 32 HG LEU 32 6.688 -1.503 -1.894 231 HD11 LEU 32 HD11 LEU 32 5.773 0.173 -3.557 232 HD12 LEU 32 HD12 LEU 32 4.657 -1.041 -2.952 233 HD13 LEU 32 HD13 LEU 32 5.335 -1.208 -4.588 234 HD21 LEU 32 HD21 LEU 32 7.351 -3.745 -2.752 235 HD22 LEU 32 HD22 LEU 32 6.412 -3.424 -4.227 236 HD23 LEU 32 HD23 LEU 32 5.595 -3.517 -2.659 237 H VAL 33 H VAL 33 7.691 -3.277 -6.577 238 HA VAL 33 HA VAL 33 6.701 -1.063 -8.361 239 HB VAL 33 HB VAL 33 7.082 -2.550 -10.243 240 HG11 VAL 33 HG11 VAL 33 9.583 -2.405 -8.493 241 HG12 VAL 33 HG12 VAL 33 9.528 -2.573 -10.255 242 HG13 VAL 33 HG13 VAL 33 8.954 -1.086 -9.498 243 HG21 VAL 33 HG21 VAL 33 8.343 -4.561 -8.326 244 HG22 VAL 33 HG22 VAL 33 6.776 -4.784 -9.138 245 HG23 VAL 33 HG23 VAL 33 8.258 -4.673 -10.087 246 H GLY 34 H GLY 34 5.715 -3.856 -6.527 247 HA2 GLY 34 HA3 GLY 34 2.957 -3.695 -7.424 248 HA3 GLY 34 HA2 GLY 34 3.788 -5.174 -7.957 249 H ALA 35 H ALA 35 1.842 -5.872 -6.686 250 HA ALA 35 HA ALA 35 2.872 -7.032 -4.220 251 HB1 ALA 35 HB1 ALA 35 0.327 -5.351 -4.295 252 HB2 ALA 35 HB2 ALA 35 0.713 -6.486 -2.986 253 HB3 ALA 35 HB3 ALA 35 1.762 -5.099 -3.291 254 H ARG 36 H ARG 36 1.107 -8.616 -3.391 255 HA ARG 36 HA ARG 36 -0.914 -9.564 -5.241 256 HB2 ARG 36 HB1 ARG 36 1.610 -10.996 -5.035 257 HB3 ARG 36 HB2 ARG 36 0.313 -12.018 -4.410 258 HG2 ARG 36 HG1 ARG 36 0.249 -10.660 -7.129 259 HG3 ARG 36 HG2 ARG 36 0.837 -12.319 -6.824 260 HD2 ARG 36 HD1 ARG 36 -1.354 -13.033 -6.103 261 HD3 ARG 36 HD2 ARG 36 -1.964 -11.358 -6.105 262 HE ARG 36 HE ARG 36 -2.375 -11.484 -8.323 263 HH11 ARG 36 HH12 ARG 36 -0.259 -14.229 -7.649 264 HH12 ARG 36 HH11 ARG 36 -0.592 -14.981 -9.186 265 HH21 ARG 36 HH22 ARG 36 -2.828 -12.509 -10.223 266 HH22 ARG 36 HH21 ARG 36 -2.066 -14.016 -10.616 267 H THR 37 H THR 37 -2.299 -11.283 -3.982 268 HA THR 37 HA THR 37 -2.209 -11.361 -1.114 269 HB THR 37 HB THR 37 -2.650 -9.047 -1.174 270 HG1 THR 37 HG1 THR 37 -3.823 -9.827 0.351 271 HG21 THR 37 HG21 THR 37 -4.632 -8.029 -2.242 272 HG22 THR 37 HG22 THR 37 -5.039 -9.579 -3.000 273 HG23 THR 37 HG23 THR 37 -3.558 -8.710 -3.465 274 HA PRO 38 HA PRO 38 -5.244 -14.388 -2.442 275 HB2 PRO 38 HB1 PRO 38 -6.280 -15.260 -0.079 276 HB3 PRO 38 HB2 PRO 38 -4.584 -15.539 -0.607 277 HG2 PRO 38 HG1 PRO 38 -5.593 -13.441 1.300 278 HG3 PRO 38 HG2 PRO 38 -4.187 -14.548 1.502 279 HD2 PRO 38 HD1 PRO 38 -3.986 -11.958 0.567 280 HD3 PRO 38 HD2 PRO 38 -2.858 -13.234 0.054 281 H VAL 39 H VAL 39 -6.141 -11.453 -1.175 282 HA VAL 39 HA VAL 39 -9.058 -11.983 -1.624 283 HB VAL 39 HB VAL 39 -9.651 -10.337 0.034 284 HG11 VAL 39 HG11 VAL 39 -7.617 -12.318 1.129 285 HG12 VAL 39 HG12 VAL 39 -8.866 -11.491 2.054 286 HG13 VAL 39 HG13 VAL 39 -9.329 -12.645 0.785 287 HG21 VAL 39 HG21 VAL 39 -6.675 -10.036 0.573 288 HG22 VAL 39 HG22 VAL 39 -7.671 -8.801 -0.216 289 HG23 VAL 39 HG23 VAL 39 -7.997 -9.248 1.465 290 H ALA 40 H ALA 40 -7.273 -11.073 -3.790 291 HA ALA 40 HA ALA 40 -9.137 -9.095 -4.907 292 HB1 ALA 40 HB1 ALA 40 -7.525 -7.390 -5.411 293 HB2 ALA 40 HB2 ALA 40 -7.497 -7.659 -3.662 294 HB3 ALA 40 HB3 ALA 40 -6.205 -8.323 -4.691 295 H GLU 41 H GLU 41 -8.622 -8.692 -7.239 296 HA GLU 41 HA GLU 41 -7.450 -11.080 -8.607 297 HB2 GLU 41 HB1 GLU 41 -9.821 -9.939 -9.008 298 HB3 GLU 41 HB2 GLU 41 -8.882 -8.787 -9.975 299 HG2 GLU 41 HG1 GLU 41 -9.563 -10.360 -11.563 300 HG3 GLU 41 HG2 GLU 41 -7.947 -10.949 -11.167 301 H ARG 42 H ARG 42 -7.128 -7.645 -8.101 302 HA ARG 42 HA ARG 42 -4.637 -7.303 -9.647 303 HB2 ARG 42 HB1 ARG 42 -7.345 -6.142 -10.010 304 HB3 ARG 42 HB2 ARG 42 -6.082 -4.912 -9.785 305 HG2 ARG 42 HG1 ARG 42 -4.811 -5.853 -11.672 306 HG3 ARG 42 HG2 ARG 42 -6.063 -7.091 -11.912 307 HD2 ARG 42 HD1 ARG 42 -7.718 -5.450 -12.464 308 HD3 ARG 42 HD2 ARG 42 -6.718 -4.118 -11.885 309 HE ARG 42 HE ARG 42 -6.232 -5.733 -14.358 310 HH11 ARG 42 HH12 ARG 42 -5.502 -2.755 -12.540 311 HH12 ARG 42 HH11 ARG 42 -5.054 -1.884 -13.948 312 HH21 ARG 42 HH22 ARG 42 -5.437 -4.590 -16.130 313 HH22 ARG 42 HH21 ARG 42 -4.927 -2.936 -15.936 314 H VAL 43 H VAL 43 -3.425 -5.569 -8.792 315 HA VAL 43 HA VAL 43 -4.215 -4.168 -6.391 316 HB VAL 43 HB VAL 43 -3.543 -6.289 -5.493 317 HG11 VAL 43 HG11 VAL 43 -1.770 -6.978 -7.113 318 HG12 VAL 43 HG12 VAL 43 -0.664 -5.789 -6.392 319 HG13 VAL 43 HG13 VAL 43 -1.304 -7.127 -5.418 320 HG21 VAL 43 HG21 VAL 43 -2.147 -5.450 -3.688 321 HG22 VAL 43 HG22 VAL 43 -1.616 -4.091 -4.702 322 HG23 VAL 43 HG23 VAL 43 -3.309 -4.213 -4.194 323 H GLU 44 H GLU 44 -3.465 -2.238 -6.550 324 HA GLU 44 HA GLU 44 -1.092 -1.608 -8.296 325 HB2 GLU 44 HB1 GLU 44 -3.999 -0.807 -8.589 326 HB3 GLU 44 HB2 GLU 44 -2.700 0.207 -9.256 327 HG2 GLU 44 HG1 GLU 44 -2.302 -1.196 -10.967 328 HG3 GLU 44 HG2 GLU 44 -2.436 -2.655 -9.982 329 H LEU 45 H LEU 45 0.167 0.016 -7.513 330 HA LEU 45 HA LEU 45 -0.733 1.245 -5.023 331 HB2 LEU 45 HB1 LEU 45 1.380 2.085 -4.649 332 HB3 LEU 45 HB2 LEU 45 1.559 0.411 -5.103 333 HG LEU 45 HG LEU 45 2.065 2.814 -6.890 334 HD11 LEU 45 HD11 LEU 45 4.036 1.082 -5.356 335 HD12 LEU 45 HD12 LEU 45 3.537 2.738 -4.934 336 HD13 LEU 45 HD13 LEU 45 4.434 2.447 -6.430 337 HD21 LEU 45 HD21 LEU 45 3.423 1.125 -8.253 338 HD22 LEU 45 HD22 LEU 45 1.690 0.793 -8.280 339 HD23 LEU 45 HD23 LEU 45 2.763 -0.165 -7.231 340 H HIS 46 H HIS 46 -1.106 3.168 -4.537 341 HA HIS 46 HA HIS 46 -1.308 5.314 -6.586 342 HB2 HIS 46 HB1 HIS 46 -2.954 4.612 -4.116 343 HB3 HIS 46 HB2 HIS 46 -3.151 6.125 -5.008 344 HD2 HIS 46 HD2 HIS 46 -2.902 3.633 -7.692 345 HE1 HIS 46 HE1 HIS 46 -6.984 3.468 -6.553 346 HE2 HIS 46 HE2 HIS 46 -5.289 2.854 -8.392 347 H GLU 47 H GLU 47 -1.004 7.334 -5.964 348 HA GLU 47 HA GLU 47 0.433 7.987 -3.440 349 HB2 GLU 47 HB1 GLU 47 0.982 10.087 -4.514 350 HB3 GLU 47 HB2 GLU 47 1.434 8.703 -5.568 351 HG2 GLU 47 HG1 GLU 47 -0.431 9.061 -6.993 352 HG3 GLU 47 HG2 GLU 47 -1.082 10.335 -5.957 353 H THR 48 H THR 48 -0.510 9.471 -2.021 354 HA THR 48 HA THR 48 -3.166 10.684 -2.650 355 HB THR 48 HB THR 48 -2.001 9.908 0.052 356 HG1 THR 48 HG1 THR 48 -3.815 8.684 0.205 357 HG21 THR 48 HG21 THR 48 -3.151 12.020 0.385 358 HG22 THR 48 HG22 THR 48 -4.196 10.736 0.983 359 HG23 THR 48 HG23 THR 48 -4.534 11.477 -0.596 360 H PHE 49 H PHE 49 -3.142 12.970 -2.157 361 HA PHE 49 HA PHE 49 -0.722 14.254 -1.119 362 HB2 PHE 49 HB1 PHE 49 -0.253 15.499 -3.195 363 HB3 PHE 49 HB2 PHE 49 0.009 13.762 -3.374 364 HD1 PHE 49 HD1 PHE 49 -2.379 16.541 -4.126 365 HD2 PHE 49 HD2 PHE 49 -1.217 12.497 -5.039 366 HE1 PHE 49 HE1 PHE 49 -3.922 16.547 -6.021 367 HE2 PHE 49 HE2 PHE 49 -2.673 12.521 -6.995 368 HZ PHE 49 HZ PHE 49 -4.016 14.545 -7.563 369 H MET 50 H MET 50 -0.883 16.729 -1.611 370 HA MET 50 HA MET 50 -3.673 17.704 -1.089 371 HB2 MET 50 HB1 MET 50 -0.996 18.896 -0.273 372 HB3 MET 50 HB2 MET 50 -2.587 19.663 -0.037 373 HG2 MET 50 HG1 MET 50 -3.260 17.642 1.302 374 HG3 MET 50 HG2 MET 50 -1.589 17.087 1.240 375 HE1 MET 50 HE1 MET 50 0.376 19.421 3.484 376 HE2 MET 50 HE2 MET 50 0.378 18.169 2.229 377 HE3 MET 50 HE3 MET 50 0.192 19.885 1.780 378 H ARG 51 H ARG 51 -4.467 19.379 -2.305 379 HA ARG 51 HA ARG 51 -2.710 20.784 -4.230 380 HB2 ARG 51 HB1 ARG 51 -5.065 19.112 -4.967 381 HB3 ARG 51 HB2 ARG 51 -4.812 20.661 -5.825 382 HG2 ARG 51 HG1 ARG 51 -2.463 19.968 -6.292 383 HG3 ARG 51 HG2 ARG 51 -2.819 18.379 -5.619 384 HD2 ARG 51 HD1 ARG 51 -4.630 18.119 -7.359 385 HD3 ARG 51 HD2 ARG 51 -4.170 19.716 -7.998 386 HE ARG 51 HE ARG 51 -2.047 17.662 -7.792 387 HH11 ARG 51 HH12 ARG 51 -4.336 19.251 -9.935 388 HH12 ARG 51 HH11 ARG 51 -3.425 18.899 -11.373 389 HH21 ARG 51 HH22 ARG 51 -0.846 17.273 -9.669 390 HH22 ARG 51 HH21 ARG 51 -1.469 17.740 -11.221 391 H GLU 52 H GLU 52 -3.324 22.962 -4.637 392 HA GLU 52 HA GLU 52 -5.806 24.044 -3.468 393 HB2 GLU 52 HB1 GLU 52 -3.578 25.167 -3.127 394 HB3 GLU 52 HB2 GLU 52 -3.411 25.279 -4.897 395 HG2 GLU 52 HG1 GLU 52 -4.196 27.367 -4.355 396 HG3 GLU 52 HG2 GLU 52 -5.702 26.568 -4.773 397 H VAL 53 H VAL 53 -7.484 24.466 -4.936 398 HA VAL 53 HA VAL 53 -6.853 24.772 -7.844 399 HB VAL 53 HB VAL 53 -9.174 23.142 -6.685 400 HG11 VAL 53 HG11 VAL 53 -9.703 22.663 -9.100 401 HG12 VAL 53 HG12 VAL 53 -9.947 24.348 -8.650 402 HG13 VAL 53 HG13 VAL 53 -8.496 23.881 -9.571 403 HG21 VAL 53 HG21 VAL 53 -7.126 21.796 -6.676 404 HG22 VAL 53 HG22 VAL 53 -8.203 21.234 -7.951 405 HG23 VAL 53 HG23 VAL 53 -6.796 22.235 -8.369 406 H GLU 54 H GLU 54 -7.550 26.775 -8.412 407 HA GLU 54 HA GLU 54 -8.566 28.813 -8.394 408 HB2 GLU 54 HB1 GLU 54 -10.904 27.380 -7.116 409 HB3 GLU 54 HB2 GLU 54 -10.966 28.962 -7.917 410 HG2 GLU 54 HG1 GLU 54 -10.754 28.005 -10.072 411 HG3 GLU 54 HG2 GLU 54 -10.279 26.423 -9.422 412 H GLY 55 H GLY 55 -7.105 27.943 -5.834 413 HA2 GLY 55 HA3 GLY 55 -6.602 29.063 -3.820 414 HA3 GLY 55 HA2 GLY 55 -8.000 30.132 -4.075 415 H LYS 56 H LYS 56 -8.572 26.760 -4.360 416 HA LYS 56 HA LYS 56 -9.918 26.554 -1.712 417 HB2 LYS 56 HB1 LYS 56 -10.814 25.105 -4.206 418 HB3 LYS 56 HB2 LYS 56 -11.691 25.302 -2.684 419 HG2 LYS 56 HG1 LYS 56 -12.244 27.586 -3.216 420 HG3 LYS 56 HG2 LYS 56 -11.110 27.614 -4.594 421 HD2 LYS 56 HD1 LYS 56 -12.443 25.785 -5.667 422 HD3 LYS 56 HD2 LYS 56 -13.666 25.981 -4.408 423 HE2 LYS 56 HE1 LYS 56 -14.103 28.273 -5.113 424 HE3 LYS 56 HE2 LYS 56 -12.652 28.252 -6.168 425 HZ1 LYS 56 HZ1 LYS 56 -13.773 26.438 -7.403 426 HZ2 LYS 56 HZ2 LYS 56 -14.350 27.861 -7.649 427 HZ3 LYS 56 HZ3 LYS 56 -15.195 26.810 -6.647 428 H LYS 57 H LYS 57 -8.731 25.177 -0.539 429 HA LYS 57 HA LYS 57 -6.941 23.308 -1.781 430 HB2 LYS 57 HB1 LYS 57 -6.123 23.087 0.595 431 HB3 LYS 57 HB2 LYS 57 -5.919 24.622 -0.283 432 HG2 LYS 57 HG1 LYS 57 -8.319 24.698 1.348 433 HG3 LYS 57 HG2 LYS 57 -6.890 24.219 2.321 434 HD2 LYS 57 HD1 LYS 57 -6.976 26.581 2.473 435 HD3 LYS 57 HD2 LYS 57 -5.672 26.219 1.326 436 HE2 LYS 57 HE1 LYS 57 -7.642 26.461 -0.444 437 HE3 LYS 57 HE2 LYS 57 -8.434 27.383 0.825 438 HZ1 LYS 57 HZ1 LYS 57 -5.880 27.945 -0.562 439 HZ2 LYS 57 HZ2 LYS 57 -6.334 28.804 0.784 440 HZ3 LYS 57 HZ3 LYS 57 -7.223 28.811 -0.621 441 H VAL 58 H VAL 58 -7.002 21.270 -1.855 442 HA VAL 58 HA VAL 58 -8.934 19.578 -0.387 443 HB VAL 58 HB VAL 58 -10.156 20.643 -2.282 444 HG11 VAL 58 HG11 VAL 58 -8.287 19.107 -4.132 445 HG12 VAL 58 HG12 VAL 58 -9.711 20.053 -4.601 446 HG13 VAL 58 HG13 VAL 58 -8.303 20.869 -3.912 447 HG21 VAL 58 HG21 VAL 58 -10.807 18.411 -1.410 448 HG22 VAL 58 HG22 VAL 58 -11.228 18.653 -3.114 449 HG23 VAL 58 HG23 VAL 58 -9.835 17.650 -2.686 450 H MET 59 H MET 59 -8.496 17.313 -0.618 451 HA MET 59 HA MET 59 -5.688 16.693 -1.394 452 HB2 MET 59 HB1 MET 59 -7.724 15.208 0.286 453 HB3 MET 59 HB2 MET 59 -6.173 14.493 -0.244 454 HG2 MET 59 HG1 MET 59 -4.957 16.374 0.788 455 HG3 MET 59 HG2 MET 59 -6.475 17.047 1.385 456 HE1 MET 59 HE1 MET 59 -5.909 17.083 4.016 457 HE2 MET 59 HE2 MET 59 -4.752 15.889 4.643 458 HE3 MET 59 HE3 MET 59 -4.307 16.900 3.257 459 H GLY 60 H GLY 60 -5.175 14.807 -2.572 460 HA2 GLY 60 HA3 GLY 60 -7.249 13.837 -4.453 461 HA3 GLY 60 HA2 GLY 60 -5.765 14.561 -5.115 462 H MET 61 H MET 61 -6.212 12.142 -5.945 463 HA MET 61 HA MET 61 -4.099 10.505 -4.837 464 HB2 MET 61 HB1 MET 61 -5.943 9.758 -3.469 465 HB3 MET 61 HB2 MET 61 -7.041 9.744 -4.864 466 HG2 MET 61 HG1 MET 61 -5.606 7.874 -5.792 467 HG3 MET 61 HG2 MET 61 -4.806 7.819 -4.225 468 HE1 MET 61 HE1 MET 61 -8.521 7.146 -2.285 469 HE2 MET 61 HE2 MET 61 -6.997 8.041 -2.053 470 HE3 MET 61 HE3 MET 61 -8.255 8.676 -3.144 471 H ARG 62 H ARG 62 -3.246 9.107 -6.328 472 HA ARG 62 HA ARG 62 -4.407 8.831 -9.043 473 HB2 ARG 62 HB1 ARG 62 -1.856 10.312 -8.346 474 HB3 ARG 62 HB2 ARG 62 -2.040 9.517 -9.920 475 HG2 ARG 62 HG1 ARG 62 -4.158 10.963 -10.188 476 HG3 ARG 62 HG2 ARG 62 -3.537 11.911 -8.830 477 HD2 ARG 62 HD1 ARG 62 -2.249 11.442 -11.543 478 HD3 ARG 62 HD2 ARG 62 -2.753 12.986 -10.833 479 HE ARG 62 HE ARG 62 -0.862 12.185 -9.041 480 HH11 ARG 62 HH12 ARG 62 -0.535 12.039 -12.570 481 HH12 ARG 62 HH11 ARG 62 1.200 11.923 -12.432 482 HH21 ARG 62 HH22 ARG 62 1.237 11.901 -8.963 483 HH22 ARG 62 HH21 ARG 62 2.203 11.785 -10.389 484 HA PRO 63 HA PRO 63 -1.859 5.084 -8.533 485 HB2 PRO 63 HB1 PRO 63 -1.534 4.155 -11.040 486 HB3 PRO 63 HB2 PRO 63 -3.133 4.129 -10.237 487 HG2 PRO 63 HG1 PRO 63 -2.058 6.208 -12.170 488 HG3 PRO 63 HG2 PRO 63 -3.648 5.367 -12.226 489 HD2 PRO 63 HD1 PRO 63 -3.324 7.872 -11.124 490 HD3 PRO 63 HD2 PRO 63 -4.503 6.694 -10.478 491 H VAL 64 H VAL 64 0.365 4.361 -8.759 492 HA VAL 64 HA VAL 64 2.135 6.136 -10.369 493 HB VAL 64 HB VAL 64 3.761 5.600 -8.203 494 HG11 VAL 64 HG11 VAL 64 3.618 7.715 -9.480 495 HG12 VAL 64 HG12 VAL 64 2.093 8.108 -8.662 496 HG13 VAL 64 HG13 VAL 64 3.607 8.007 -7.735 497 HG21 VAL 64 HG21 VAL 64 1.161 6.560 -6.976 498 HG22 VAL 64 HG22 VAL 64 1.784 4.915 -6.780 499 HG23 VAL 64 HG23 VAL 64 2.714 6.278 -6.162 500 HA PRO 65 HA PRO 65 3.759 2.391 -11.729 501 HB2 PRO 65 HB1 PRO 65 6.218 2.957 -12.657 502 HB3 PRO 65 HB2 PRO 65 4.766 3.808 -13.277 503 HG2 PRO 65 HG1 PRO 65 6.708 4.761 -11.153 504 HG3 PRO 65 HG2 PRO 65 6.111 5.662 -12.593 505 HD2 PRO 65 HD1 PRO 65 4.998 5.913 -10.081 506 HD3 PRO 65 HD2 PRO 65 4.040 6.065 -11.577 507 H PHE 66 H PHE 66 5.656 3.751 -9.099 508 HA PHE 66 HA PHE 66 6.097 1.339 -7.737 509 HB2 PHE 66 HB1 PHE 66 8.493 1.007 -7.966 510 HB3 PHE 66 HB2 PHE 66 7.707 0.769 -9.515 511 HD1 PHE 66 HD2 PHE 66 9.989 2.899 -7.551 512 HD2 PHE 66 HD1 PHE 66 8.048 2.329 -11.341 513 HE1 PHE 66 HE2 PHE 66 11.299 4.762 -8.459 514 HE2 PHE 66 HE1 PHE 66 9.500 4.123 -12.339 515 HZ PHE 66 HZ PHE 66 11.109 5.356 -10.890 516 H LEU 67 H LEU 67 7.583 1.624 -5.920 517 HA LEU 67 HA LEU 67 8.195 4.462 -5.180 518 HB2 LEU 67 HB1 LEU 67 7.882 2.093 -3.282 519 HB3 LEU 67 HB2 LEU 67 8.170 3.777 -2.825 520 HG LEU 67 HG LEU 67 5.634 2.528 -3.918 521 HD11 LEU 67 HD11 LEU 67 4.720 3.284 -1.735 522 HD12 LEU 67 HD12 LEU 67 6.331 3.892 -1.291 523 HD13 LEU 67 HD13 LEU 67 6.072 2.151 -1.542 524 HD21 LEU 67 HD21 LEU 67 4.568 4.729 -3.719 525 HD22 LEU 67 HD22 LEU 67 5.842 4.769 -4.931 526 HD23 LEU 67 HD23 LEU 67 6.140 5.475 -3.326 527 H GLU 68 H GLU 68 10.177 4.772 -4.079 528 HA GLU 68 HA GLU 68 12.230 2.646 -4.474 529 HB2 GLU 68 HB1 GLU 68 12.630 4.544 -6.027 530 HB3 GLU 68 HB2 GLU 68 12.581 5.668 -4.644 531 HG2 GLU 68 HG1 GLU 68 14.858 5.357 -5.085 532 HG3 GLU 68 HG2 GLU 68 14.561 4.362 -3.666 533 H VAL 69 H VAL 69 13.392 2.181 -2.673 534 HA VAL 69 HA VAL 69 13.390 4.112 -0.459 535 HB VAL 69 HB VAL 69 12.677 1.147 -0.107 536 HG11 VAL 69 HG11 VAL 69 14.034 1.915 1.818 537 HG12 VAL 69 HG12 VAL 69 12.915 3.274 2.066 538 HG13 VAL 69 HG13 VAL 69 12.371 1.596 2.277 539 HG21 VAL 69 HG21 VAL 69 10.532 2.067 0.877 540 HG22 VAL 69 HG22 VAL 69 11.007 3.666 0.310 541 HG23 VAL 69 HG23 VAL 69 10.707 2.343 -0.852 542 HA PRO 70 HA PRO 70 17.681 2.985 -0.716 543 HB2 PRO 70 HB1 PRO 70 18.701 4.336 1.437 544 HB3 PRO 70 HB2 PRO 70 18.108 5.160 -0.035 545 HG2 PRO 70 HG1 PRO 70 16.596 4.667 2.549 546 HG3 PRO 70 HG2 PRO 70 16.784 6.220 1.658 547 HD2 PRO 70 HD1 PRO 70 14.580 4.668 1.331 548 HD3 PRO 70 HD2 PRO 70 15.322 5.503 -0.064 549 HA PRO 71 HA PRO 71 18.648 -0.311 2.300 550 HB2 PRO 71 HB1 PRO 71 21.250 0.230 2.977 551 HB3 PRO 71 HB2 PRO 71 20.712 -0.597 1.479 552 HG2 PRO 71 HG1 PRO 71 21.455 2.307 1.836 553 HG3 PRO 71 HG2 PRO 71 21.936 1.171 0.515 554 HD2 PRO 71 HD1 PRO 71 19.895 2.942 0.200 555 HD3 PRO 71 HD2 PRO 71 19.829 1.293 -0.487 556 H LYS 72 H LYS 72 18.405 -0.573 4.453 557 HA LYS 72 HA LYS 72 17.809 -0.118 6.559 558 HB2 LYS 72 HB1 LYS 72 19.633 2.291 6.427 559 HB3 LYS 72 HB2 LYS 72 19.098 1.426 7.885 560 HG2 LYS 72 HG1 LYS 72 20.898 0.329 5.685 561 HG3 LYS 72 HG2 LYS 72 21.383 0.866 7.308 562 HD2 LYS 72 HD1 LYS 72 20.008 -0.951 8.293 563 HD3 LYS 72 HD2 LYS 72 19.560 -1.508 6.667 564 HE2 LYS 72 HE1 LYS 72 22.398 -1.450 7.756 565 HE3 LYS 72 HE2 LYS 72 21.324 -2.882 7.697 566 HZ1 LYS 72 HZ1 LYS 72 22.587 -1.481 5.438 567 HZ2 LYS 72 HZ2 LYS 72 21.232 -2.404 5.219 568 HZ3 LYS 72 HZ3 LYS 72 22.627 -3.035 5.783 569 H GLY 73 H GLY 73 16.860 1.764 4.177 570 HA2 GLY 73 HA3 GLY 73 15.048 3.606 5.547 571 HA3 GLY 73 HA2 GLY 73 15.035 3.190 3.819 572 H ARG 74 H ARG 74 12.631 3.453 4.706 573 HA ARG 74 HA ARG 74 11.560 0.765 5.344 574 HB2 ARG 74 HB1 ARG 74 9.871 1.996 6.833 575 HB3 ARG 74 HB2 ARG 74 11.516 1.630 7.432 576 HG2 ARG 74 HG1 ARG 74 12.155 3.995 6.921 577 HG3 ARG 74 HG2 ARG 74 10.465 4.345 6.549 578 HD2 ARG 74 HD1 ARG 74 9.763 4.117 8.737 579 HD3 ARG 74 HD2 ARG 74 11.171 3.113 9.146 580 HE ARG 74 HE ARG 74 12.490 5.019 9.421 581 HH11 ARG 74 HH12 ARG 74 9.236 6.073 8.429 582 HH12 ARG 74 HH11 ARG 74 9.529 7.705 8.910 583 HH21 ARG 74 HH22 ARG 74 12.735 7.109 10.154 584 HH22 ARG 74 HH21 ARG 74 11.467 8.274 9.901 585 H VAL 75 H VAL 75 9.783 0.130 4.461 586 HA VAL 75 HA VAL 75 8.753 1.710 2.143 587 HB VAL 75 HB VAL 75 8.339 -1.267 2.360 588 HG11 VAL 75 HG11 VAL 75 8.242 -1.138 -0.068 589 HG12 VAL 75 HG12 VAL 75 7.106 0.016 0.648 590 HG13 VAL 75 HG13 VAL 75 8.646 0.591 -0.023 591 HG21 VAL 75 HG21 VAL 75 10.321 -1.776 1.091 592 HG22 VAL 75 HG22 VAL 75 10.861 -0.095 1.166 593 HG23 VAL 75 HG23 VAL 75 10.765 -1.077 2.643 594 H GLU 76 H GLU 76 7.498 2.839 3.634 595 HA GLU 76 HA GLU 76 5.189 1.478 4.948 596 HB2 GLU 76 HB1 GLU 76 5.157 3.980 5.955 597 HB3 GLU 76 HB2 GLU 76 6.085 2.640 6.670 598 HG2 GLU 76 HG1 GLU 76 8.121 3.431 5.872 599 HG3 GLU 76 HG2 GLU 76 7.374 4.430 4.614 600 H LEU 77 H LEU 77 3.317 1.566 3.989 601 HA LEU 77 HA LEU 77 2.745 3.616 1.914 602 HB2 LEU 77 HB1 LEU 77 2.238 0.673 2.236 603 HB3 LEU 77 HB2 LEU 77 1.118 1.617 1.246 604 HG LEU 77 HG LEU 77 3.884 2.286 0.555 605 HD11 LEU 77 HD11 LEU 77 4.423 0.003 1.308 606 HD12 LEU 77 HD12 LEU 77 4.617 0.197 -0.443 607 HD13 LEU 77 HD13 LEU 77 3.197 -0.642 0.178 608 HD21 LEU 77 HD21 LEU 77 1.585 1.018 -0.996 609 HD22 LEU 77 HD22 LEU 77 3.114 1.537 -1.724 610 HD23 LEU 77 HD23 LEU 77 2.068 2.730 -0.961 611 H LYS 78 H LYS 78 2.318 4.800 4.043 612 HA LYS 78 HA LYS 78 -0.122 4.472 5.434 613 HB2 LYS 78 HB1 LYS 78 0.267 6.868 6.139 614 HB3 LYS 78 HB2 LYS 78 1.597 5.754 6.470 615 HG2 LYS 78 HG1 LYS 78 1.697 7.287 3.887 616 HG3 LYS 78 HG2 LYS 78 1.938 8.215 5.394 617 HD2 LYS 78 HD1 LYS 78 3.866 7.014 5.986 618 HD3 LYS 78 HD2 LYS 78 3.527 5.690 4.856 619 HE2 LYS 78 HE1 LYS 78 3.788 7.417 2.976 620 HE3 LYS 78 HE2 LYS 78 4.450 8.507 4.212 621 HZ1 LYS 78 HZ1 LYS 78 5.489 5.825 3.502 622 HZ2 LYS 78 HZ2 LYS 78 6.092 6.756 4.701 623 HZ3 LYS 78 HZ3 LYS 78 6.232 7.258 3.140 624 HA PRO 79 HA PRO 79 -3.357 5.894 2.815 625 HB2 PRO 79 HB1 PRO 79 -5.076 7.166 4.589 626 HB3 PRO 79 HB2 PRO 79 -4.926 5.397 4.439 627 HG2 PRO 79 HG1 PRO 79 -3.565 7.208 6.431 628 HG3 PRO 79 HG2 PRO 79 -4.400 5.642 6.731 629 HD2 PRO 79 HD1 PRO 79 -1.707 5.751 6.522 630 HD3 PRO 79 HD2 PRO 79 -2.608 4.417 5.746 631 H GLY 80 H GLY 80 -2.010 8.418 4.951 632 HA2 GLY 80 HA3 GLY 80 -3.032 10.635 3.409 633 HA3 GLY 80 HA2 GLY 80 -1.809 10.688 4.697 634 H GLY 81 H GLY 81 -0.858 8.437 2.367 635 HA2 GLY 81 HA3 GLY 81 0.131 10.239 0.334 636 HA3 GLY 81 HA2 GLY 81 1.435 9.534 1.316 637 H TYR 82 H TYR 82 2.348 7.827 0.258 638 HA TYR 82 HA TYR 82 0.968 6.565 -1.888 639 HB2 TYR 82 HB1 TYR 82 3.466 5.705 -0.391 640 HB3 TYR 82 HB2 TYR 82 2.885 4.970 -1.906 641 HD1 TYR 82 HD1 TYR 82 2.432 6.556 -3.868 642 HD2 TYR 82 HD2 TYR 82 5.028 7.503 -0.559 643 HE1 TYR 82 HE1 TYR 82 3.523 8.273 -5.236 644 HE2 TYR 82 HE2 TYR 82 6.133 9.263 -1.944 645 HH TYR 82 HH TYR 82 5.070 9.965 -5.286 646 H HIS 83 H HIS 83 0.005 4.584 -2.110 647 HA HIS 83 HA HIS 83 -0.207 2.678 0.093 648 HB2 HIS 83 HB1 HIS 83 -2.509 2.884 0.665 649 HB3 HIS 83 HB2 HIS 83 -1.658 4.386 1.022 650 HD1 HIS 83 HD1 HIS 83 -2.225 6.482 -0.706 651 HD2 HIS 83 HD2 HIS 83 -4.424 2.892 -1.220 652 HE1 HIS 83 HE1 HIS 83 -4.032 6.986 -2.410 653 H PHE 84 H PHE 84 -1.619 0.754 -0.436 654 HA PHE 84 HA PHE 84 -1.718 0.367 -3.392 655 HB2 PHE 84 HB1 PHE 84 -1.698 -1.475 -1.016 656 HB3 PHE 84 HB2 PHE 84 -2.349 -2.019 -2.584 657 HD1 PHE 84 HD1 PHE 84 -0.912 -1.862 -4.652 658 HD2 PHE 84 HD2 PHE 84 0.685 -1.458 -0.668 659 HE1 PHE 84 HE1 PHE 84 1.349 -2.455 -5.499 660 HE2 PHE 84 HE2 PHE 84 2.940 -2.053 -1.532 661 HZ PHE 84 HZ PHE 84 3.272 -2.563 -3.910 662 H MET 85 H MET 85 -3.574 0.194 -4.507 663 HA MET 85 HA MET 85 -6.210 0.092 -3.160 664 HB2 MET 85 HB1 MET 85 -5.388 1.644 -5.246 665 HB3 MET 85 HB2 MET 85 -6.161 0.269 -6.066 666 HG2 MET 85 HG1 MET 85 -7.884 1.840 -5.705 667 HG3 MET 85 HG2 MET 85 -8.120 0.576 -4.492 668 HE1 MET 85 HE1 MET 85 -9.639 3.408 -2.481 669 HE2 MET 85 HE2 MET 85 -9.810 3.149 -4.231 670 HE3 MET 85 HE3 MET 85 -9.767 1.764 -3.126 671 H LEU 86 H LEU 86 -7.257 -1.808 -3.161 672 HA LEU 86 HA LEU 86 -6.112 -4.169 -4.636 673 HB2 LEU 86 HB1 LEU 86 -7.561 -3.852 -1.998 674 HB3 LEU 86 HB2 LEU 86 -7.580 -5.399 -2.897 675 HG LEU 86 HG LEU 86 -5.147 -5.545 -2.748 676 HD11 LEU 86 HD11 LEU 86 -5.315 -3.025 -1.032 677 HD12 LEU 86 HD12 LEU 86 -4.476 -3.176 -2.583 678 HD13 LEU 86 HD13 LEU 86 -3.885 -4.083 -1.199 679 HD21 LEU 86 HD21 LEU 86 -5.078 -6.023 -0.310 680 HD22 LEU 86 HD22 LEU 86 -6.600 -6.568 -1.034 681 HD23 LEU 86 HD23 LEU 86 -6.558 -5.063 -0.089 682 H LEU 87 H LEU 87 -7.284 -4.903 -6.294 683 HA LEU 87 HA LEU 87 -10.078 -3.878 -6.577 684 HB2 LEU 87 HB1 LEU 87 -7.965 -2.796 -7.687 685 HB3 LEU 87 HB2 LEU 87 -8.059 -4.118 -8.830 686 HG LEU 87 HG LEU 87 -10.552 -2.495 -8.280 687 HD11 LEU 87 HD11 LEU 87 -9.829 -0.741 -9.851 688 HD12 LEU 87 HD12 LEU 87 -8.225 -1.504 -9.985 689 HD13 LEU 87 HD13 LEU 87 -8.753 -0.802 -8.440 690 HD21 LEU 87 HD21 LEU 87 -10.949 -2.850 -10.680 691 HD22 LEU 87 HD22 LEU 87 -10.651 -4.395 -9.870 692 HD23 LEU 87 HD23 LEU 87 -9.369 -3.649 -10.845 693 H GLY 88 H GLY 88 -11.629 -5.172 -7.466 694 HA2 GLY 88 HA3 GLY 88 -12.640 -7.186 -8.071 695 HA3 GLY 88 HA2 GLY 88 -11.054 -7.796 -8.597 696 H LEU 89 H LEU 89 -11.721 -6.583 -5.350 697 HA LEU 89 HA LEU 89 -10.747 -8.573 -3.888 698 HB2 LEU 89 HB1 LEU 89 -12.304 -7.905 -2.021 699 HB3 LEU 89 HB2 LEU 89 -11.162 -6.739 -2.698 700 HG LEU 89 HG LEU 89 -13.052 -5.634 -3.894 701 HD11 LEU 89 HD11 LEU 89 -15.412 -6.245 -3.218 702 HD12 LEU 89 HD12 LEU 89 -14.774 -7.749 -2.519 703 HD13 LEU 89 HD13 LEU 89 -14.634 -7.424 -4.267 704 HD21 LEU 89 HD21 LEU 89 -12.390 -4.901 -1.657 705 HD22 LEU 89 HD22 LEU 89 -13.513 -6.057 -0.908 706 HD23 LEU 89 HD23 LEU 89 -14.132 -4.706 -1.860 707 H LYS 90 H LYS 90 -11.253 -10.163 -2.615 708 HA LYS 90 HA LYS 90 -13.301 -12.033 -3.741 709 HB2 LYS 90 HB1 LYS 90 -10.979 -12.679 -1.932 710 HB3 LYS 90 HB2 LYS 90 -12.003 -13.821 -2.829 711 HG2 LYS 90 HG1 LYS 90 -10.043 -11.824 -4.004 712 HG3 LYS 90 HG2 LYS 90 -9.863 -13.593 -3.902 713 HD2 LYS 90 HD1 LYS 90 -11.802 -13.847 -5.445 714 HD3 LYS 90 HD2 LYS 90 -11.881 -12.073 -5.597 715 HE2 LYS 90 HE1 LYS 90 -9.671 -11.979 -6.562 716 HE3 LYS 90 HE2 LYS 90 -9.378 -13.699 -6.217 717 HZ1 LYS 90 HZ1 LYS 90 -11.266 -12.592 -8.232 718 HZ2 LYS 90 HZ2 LYS 90 -11.168 -14.196 -7.845 719 HZ3 LYS 90 HZ3 LYS 90 -9.927 -13.375 -8.520 720 H ARG 91 H ARG 91 -13.318 -9.921 -1.218 721 HA ARG 91 HA ARG 91 -15.434 -11.315 0.199 722 HB2 ARG 91 HB1 ARG 91 -14.369 -11.470 2.307 723 HB3 ARG 91 HB2 ARG 91 -13.226 -12.149 1.126 724 HG2 ARG 91 HG1 ARG 91 -12.099 -9.856 1.121 725 HG3 ARG 91 HG2 ARG 91 -13.084 -9.472 2.545 726 HD2 ARG 91 HD1 ARG 91 -11.072 -11.735 2.311 727 HD3 ARG 91 HD2 ARG 91 -10.841 -10.206 3.193 728 HE ARG 91 HE ARG 91 -12.621 -10.909 4.738 729 HH11 ARG 91 HH12 ARG 91 -10.770 -13.429 3.085 730 HH12 ARG 91 HH11 ARG 91 -11.277 -14.652 4.216 731 HH21 ARG 91 HH22 ARG 91 -13.281 -12.504 6.078 732 HH22 ARG 91 HH21 ARG 91 -12.698 -14.138 5.904 733 HA PRO 92 HA PRO 92 -16.280 -6.909 1.160 734 HB2 PRO 92 HB1 PRO 92 -18.292 -7.160 2.958 735 HB3 PRO 92 HB2 PRO 92 -18.536 -7.514 1.221 736 HG2 PRO 92 HG1 PRO 92 -18.030 -9.472 3.470 737 HG3 PRO 92 HG2 PRO 92 -19.250 -9.580 2.150 738 HD2 PRO 92 HD1 PRO 92 -16.777 -10.847 2.098 739 HD3 PRO 92 HD2 PRO 92 -17.649 -10.330 0.629 740 H LEU 93 H LEU 93 -14.107 -6.860 2.000 741 HA LEU 93 HA LEU 93 -13.263 -7.969 4.430 742 HB2 LEU 93 HB1 LEU 93 -11.295 -6.448 4.185 743 HB3 LEU 93 HB2 LEU 93 -11.638 -7.573 2.858 744 HG LEU 93 HG LEU 93 -12.925 -5.140 2.133 745 HD11 LEU 93 HD11 LEU 93 -10.097 -4.536 3.044 746 HD12 LEU 93 HD12 LEU 93 -11.538 -4.007 3.933 747 HD13 LEU 93 HD13 LEU 93 -11.255 -3.424 2.287 748 HD21 LEU 93 HD21 LEU 93 -11.808 -6.761 0.640 749 HD22 LEU 93 HD22 LEU 93 -10.226 -6.269 1.281 750 HD23 LEU 93 HD23 LEU 93 -11.216 -5.116 0.373 751 H LYS 94 H LYS 94 -14.318 -7.687 6.064 752 HA LYS 94 HA LYS 94 -15.092 -5.018 7.061 753 HB2 LYS 94 HB1 LYS 94 -16.648 -6.185 8.531 754 HB3 LYS 94 HB2 LYS 94 -16.886 -6.519 6.786 755 HG2 LYS 94 HG1 LYS 94 -17.300 -8.542 7.812 756 HG3 LYS 94 HG2 LYS 94 -15.660 -8.714 7.187 757 HD2 LYS 94 HD1 LYS 94 -14.787 -8.255 9.494 758 HD3 LYS 94 HD2 LYS 94 -16.458 -8.158 10.087 759 HE2 LYS 94 HE1 LYS 94 -16.874 -10.457 9.600 760 HE3 LYS 94 HE2 LYS 94 -15.452 -10.564 8.532 761 HZ1 LYS 94 HZ1 LYS 94 -14.055 -10.329 10.502 762 HZ2 LYS 94 HZ2 LYS 94 -15.027 -11.627 10.641 763 HZ3 LYS 94 HZ3 LYS 94 -15.355 -10.233 11.471 764 H ALA 95 H ALA 95 -15.094 -4.625 9.396 765 HA ALA 95 HA ALA 95 -12.419 -4.694 10.391 766 HB1 ALA 95 HB1 ALA 95 -13.950 -2.820 10.782 767 HB2 ALA 95 HB2 ALA 95 -15.038 -3.876 11.717 768 HB3 ALA 95 HB3 ALA 95 -13.405 -3.518 12.322 769 H GLY 96 H GLY 96 -11.511 -5.952 11.676 770 HA2 GLY 96 HA3 GLY 96 -11.067 -7.739 13.200 771 HA3 GLY 96 HA2 GLY 96 -12.809 -8.088 13.283 772 H GLU 97 H GLU 97 -10.381 -7.870 10.693 773 HA GLU 97 HA GLU 97 -10.405 -10.727 10.189 774 HB2 GLU 97 HB1 GLU 97 -10.815 -8.741 7.900 775 HB3 GLU 97 HB2 GLU 97 -10.482 -10.492 7.739 776 HG2 GLU 97 HG1 GLU 97 -12.528 -10.876 9.178 777 HG3 GLU 97 HG2 GLU 97 -12.947 -9.193 8.913 778 H GLU 98 H GLU 98 -8.579 -10.878 8.238 779 HA GLU 98 HA GLU 98 -6.224 -9.354 8.847 780 HB2 GLU 98 HB1 GLU 98 -5.029 -11.352 9.717 781 HB3 GLU 98 HB2 GLU 98 -6.262 -10.701 10.822 782 HG2 GLU 98 HG1 GLU 98 -7.820 -12.521 9.951 783 HG3 GLU 98 HG2 GLU 98 -6.418 -13.222 9.123 784 H VAL 99 H VAL 99 -5.019 -9.455 7.157 785 HA VAL 99 HA VAL 99 -5.635 -11.282 4.854 786 HB VAL 99 HB VAL 99 -5.701 -8.241 5.045 787 HG11 VAL 99 HG11 VAL 99 -6.084 -8.228 2.563 788 HG12 VAL 99 HG12 VAL 99 -4.440 -8.627 3.035 789 HG13 VAL 99 HG13 VAL 99 -5.539 -9.928 2.525 790 HG21 VAL 99 HG21 VAL 99 -7.953 -8.511 4.030 791 HG22 VAL 99 HG22 VAL 99 -7.746 -10.275 4.033 792 HG23 VAL 99 HG23 VAL 99 -7.845 -9.379 5.559 793 H GLU 100 H GLU 100 -3.910 -11.962 3.753 794 HA GLU 100 HA GLU 100 -1.185 -11.112 4.414 795 HB2 GLU 100 HB1 GLU 100 -2.404 -12.817 2.229 796 HB3 GLU 100 HB2 GLU 100 -0.665 -12.482 2.343 797 HG2 GLU 100 HG1 GLU 100 -0.682 -13.694 4.558 798 HG3 GLU 100 HG2 GLU 100 -2.358 -14.166 4.208 799 H LEU 101 H LEU 101 0.142 -9.833 3.223 800 HA LEU 101 HA LEU 101 -0.567 -9.444 0.391 801 HB2 LEU 101 HB1 LEU 101 -0.125 -7.234 2.178 802 HB3 LEU 101 HB2 LEU 101 1.259 -7.359 1.048 803 HG LEU 101 HG LEU 101 -0.517 -7.529 -0.815 804 HD11 LEU 101 HD11 LEU 101 -2.260 -6.099 1.235 805 HD12 LEU 101 HD12 LEU 101 -2.522 -7.775 0.733 806 HD13 LEU 101 HD13 LEU 101 -2.653 -6.471 -0.452 807 HD21 LEU 101 HD21 LEU 101 -0.662 -5.118 -1.043 808 HD22 LEU 101 HD22 LEU 101 0.954 -5.613 -0.518 809 HD23 LEU 101 HD23 LEU 101 -0.188 -4.911 0.660 810 H ASP 102 H ASP 102 0.820 -10.007 -0.953 811 HA ASP 102 HA ASP 102 3.638 -10.770 -0.391 812 HB2 ASP 102 HB1 ASP 102 1.833 -10.874 -2.839 813 HB3 ASP 102 HB2 ASP 102 3.499 -11.401 -2.871 814 H LEU 103 H LEU 103 5.225 -9.310 -1.031 815 HA LEU 103 HA LEU 103 4.458 -6.804 -2.494 816 HB2 LEU 103 HB1 LEU 103 6.763 -7.483 -0.637 817 HB3 LEU 103 HB2 LEU 103 6.651 -5.998 -1.629 818 HG LEU 103 HG LEU 103 4.453 -5.539 -0.364 819 HD11 LEU 103 HD11 LEU 103 5.706 -7.551 1.576 820 HD12 LEU 103 HD12 LEU 103 4.100 -7.684 0.825 821 HD13 LEU 103 HD13 LEU 103 4.421 -6.409 1.995 822 HD21 LEU 103 HD21 LEU 103 5.787 -4.512 1.487 823 HD22 LEU 103 HD22 LEU 103 6.518 -4.253 -0.100 824 HD23 LEU 103 HD23 LEU 103 7.175 -5.490 1.000 825 H LEU 104 H LEU 104 5.521 -6.264 -4.372 826 HA LEU 104 HA LEU 104 7.445 -8.244 -5.520 827 HB2 LEU 104 HB1 LEU 104 5.453 -6.359 -6.829 828 HB3 LEU 104 HB2 LEU 104 6.574 -7.380 -7.710 829 HG LEU 104 HG LEU 104 4.226 -8.249 -5.975 830 HD11 LEU 104 HD11 LEU 104 4.732 -8.528 -8.964 831 HD12 LEU 104 HD12 LEU 104 3.605 -7.393 -8.191 832 HD13 LEU 104 HD13 LEU 104 3.310 -9.132 -8.082 833 HD21 LEU 104 HD21 LEU 104 5.982 -9.940 -5.685 834 HD22 LEU 104 HD22 LEU 104 6.247 -10.008 -7.443 835 HD23 LEU 104 HD23 LEU 104 4.721 -10.583 -6.734 836 H PHE 105 H PHE 105 9.429 -7.532 -5.397 837 HA PHE 105 HA PHE 105 10.065 -4.631 -5.759 838 HB2 PHE 105 HB1 PHE 105 11.476 -6.838 -4.253 839 HB3 PHE 105 HB2 PHE 105 12.169 -5.242 -4.527 840 HD1 PHE 105 HD2 PHE 105 11.170 -3.240 -3.388 841 HD2 PHE 105 HD1 PHE 105 9.876 -7.261 -2.528 842 HE1 PHE 105 HE2 PHE 105 10.286 -2.488 -1.197 843 HE2 PHE 105 HE1 PHE 105 9.002 -6.509 -0.340 844 HZ PHE 105 HZ PHE 105 9.198 -4.116 0.331 845 H ALA 106 H ALA 106 11.863 -4.112 -7.049 846 HA ALA 106 HA ALA 106 12.192 -5.521 -9.434 847 HB1 ALA 106 HB1 ALA 106 12.673 -3.118 -9.125 848 HB2 ALA 106 HB2 ALA 106 14.133 -3.533 -8.187 849 HB3 ALA 106 HB3 ALA 106 14.025 -3.954 -9.908 850 H GLY 107 H GLY 107 13.516 -6.976 -10.308 851 HA2 GLY 107 HA3 GLY 107 15.236 -8.469 -10.613 852 HA3 GLY 107 HA2 GLY 107 16.078 -7.740 -9.227 853 H GLY 108 H GLY 108 13.036 -9.621 -9.676 854 HA2 GLY 108 HA3 GLY 108 12.421 -11.699 -8.990 855 HA3 GLY 108 HA2 GLY 108 14.126 -12.001 -8.583 856 H LYS 109 H LYS 109 12.691 -9.351 -6.829 857 HA LYS 109 HA LYS 109 12.928 -11.007 -4.366 858 HB2 LYS 109 HB1 LYS 109 13.079 -8.067 -4.992 859 HB3 LYS 109 HB2 LYS 109 12.803 -8.624 -3.324 860 HG2 LYS 109 HG1 LYS 109 14.847 -9.860 -3.293 861 HG3 LYS 109 HG2 LYS 109 15.048 -9.690 -5.044 862 HD2 LYS 109 HD1 LYS 109 14.903 -7.048 -4.251 863 HD3 LYS 109 HD2 LYS 109 15.645 -7.783 -2.809 864 HE2 LYS 109 HE1 LYS 109 17.426 -7.042 -4.270 865 HE3 LYS 109 HE2 LYS 109 17.379 -8.816 -4.324 866 HZ1 LYS 109 HZ1 LYS 109 17.560 -7.676 -6.531 867 HZ2 LYS 109 HZ2 LYS 109 16.030 -7.087 -6.336 868 HZ3 LYS 109 HZ3 LYS 109 16.270 -8.693 -6.436 869 H VAL 110 H VAL 110 11.194 -11.889 -3.637 870 HA VAL 110 HA VAL 110 8.621 -10.396 -3.589 871 HB VAL 110 HB VAL 110 8.919 -13.410 -3.908 872 HG11 VAL 110 HG11 VAL 110 6.421 -11.642 -3.887 873 HG12 VAL 110 HG12 VAL 110 6.450 -13.368 -4.308 874 HG13 VAL 110 HG13 VAL 110 6.863 -12.860 -2.669 875 HG21 VAL 110 HG21 VAL 110 8.075 -11.288 -5.932 876 HG22 VAL 110 HG22 VAL 110 9.518 -12.322 -6.012 877 HG23 VAL 110 HG23 VAL 110 7.915 -13.041 -6.175 878 H LEU 111 H LEU 111 7.570 -10.304 -1.663 879 HA LEU 111 HA LEU 111 8.726 -11.720 0.702 880 HB2 LEU 111 HB1 LEU 111 9.794 -9.445 -0.078 881 HB3 LEU 111 HB2 LEU 111 8.374 -8.706 0.652 882 HG LEU 111 HG LEU 111 10.341 -10.528 2.114 883 HD11 LEU 111 HD11 LEU 111 11.457 -8.487 1.312 884 HD12 LEU 111 HD12 LEU 111 11.253 -8.422 3.070 885 HD13 LEU 111 HD13 LEU 111 10.172 -7.481 2.014 886 HD21 LEU 111 HD21 LEU 111 8.218 -10.470 3.306 887 HD22 LEU 111 HD22 LEU 111 8.123 -8.702 3.136 888 HD23 LEU 111 HD23 LEU 111 9.359 -9.446 4.169 889 H LYS 112 H LYS 112 7.162 -12.370 2.116 890 HA LYS 112 HA LYS 112 4.373 -11.379 1.755 891 HB2 LYS 112 HB1 LYS 112 4.862 -13.788 1.426 892 HB3 LYS 112 HB2 LYS 112 5.505 -13.872 3.089 893 HG2 LYS 112 HG1 LYS 112 3.378 -14.748 3.318 894 HG3 LYS 112 HG2 LYS 112 3.136 -13.075 3.823 895 HD2 LYS 112 HD1 LYS 112 1.318 -13.407 2.435 896 HD3 LYS 112 HD2 LYS 112 2.450 -12.713 1.276 897 HE2 LYS 112 HE1 LYS 112 3.039 -14.946 0.453 898 HE3 LYS 112 HE2 LYS 112 2.114 -15.707 1.780 899 HZ1 LYS 112 HZ1 LYS 112 0.962 -14.111 -0.428 900 HZ2 LYS 112 HZ2 LYS 112 0.105 -14.836 0.820 901 HZ3 LYS 112 HZ3 LYS 112 0.894 -15.736 -0.269 902 H VAL 113 H VAL 113 3.308 -10.312 3.388 903 HA VAL 113 HA VAL 113 4.084 -10.603 6.223 904 HB VAL 113 HB VAL 113 3.837 -7.829 5.035 905 HG11 VAL 113 HG11 VAL 113 4.899 -7.083 7.197 906 HG12 VAL 113 HG12 VAL 113 3.257 -7.658 7.296 907 HG13 VAL 113 HG13 VAL 113 4.603 -8.723 7.813 908 HG21 VAL 113 HG21 VAL 113 5.995 -8.692 4.244 909 HG22 VAL 113 HG22 VAL 113 6.336 -7.632 5.612 910 HG23 VAL 113 HG23 VAL 113 6.362 -9.363 5.859 911 H VAL 114 H VAL 114 2.287 -9.289 7.649 912 HA VAL 114 HA VAL 114 -0.331 -9.978 6.341 913 HB VAL 114 HB VAL 114 0.398 -10.395 9.270 914 HG11 VAL 114 HG11 VAL 114 -2.003 -10.109 9.045 915 HG12 VAL 114 HG12 VAL 114 -2.044 -11.177 7.618 916 HG13 VAL 114 HG13 VAL 114 -1.678 -11.821 9.231 917 HG21 VAL 114 HG21 VAL 114 1.678 -11.990 7.881 918 HG22 VAL 114 HG22 VAL 114 0.357 -12.827 8.687 919 HG23 VAL 114 HG23 VAL 114 0.207 -12.399 6.970 920 H LEU 115 H LEU 115 -2.172 -8.872 7.084 921 HA LEU 115 HA LEU 115 -1.781 -6.170 8.284 922 HB2 LEU 115 HB1 LEU 115 -3.309 -6.810 5.743 923 HB3 LEU 115 HB2 LEU 115 -3.078 -5.213 6.462 924 HG LEU 115 HG LEU 115 -0.877 -6.905 5.197 925 HD11 LEU 115 HD11 LEU 115 -2.433 -4.517 4.128 926 HD12 LEU 115 HD12 LEU 115 -2.568 -6.198 3.562 927 HD13 LEU 115 HD13 LEU 115 -1.053 -5.300 3.326 928 HD21 LEU 115 HD21 LEU 115 -0.838 -3.937 5.890 929 HD22 LEU 115 HD22 LEU 115 0.494 -4.927 5.260 930 HD23 LEU 115 HD23 LEU 115 -0.088 -5.182 6.905 931 HA PRO 116 HA PRO 116 -5.765 -7.648 10.117 932 HB2 PRO 116 HB1 PRO 116 -6.054 -5.649 11.965 933 HB3 PRO 116 HB2 PRO 116 -5.021 -7.085 12.226 934 HG2 PRO 116 HG1 PRO 116 -4.186 -4.333 11.289 935 HG3 PRO 116 HG2 PRO 116 -3.412 -5.361 12.546 936 HD2 PRO 116 HD1 PRO 116 -2.476 -5.243 9.985 937 HD3 PRO 116 HD2 PRO 116 -2.438 -6.764 10.915 938 H VAL 117 H VAL 117 -7.859 -6.965 9.650 939 HA VAL 117 HA VAL 117 -8.186 -4.422 8.116 940 HB VAL 117 HB VAL 117 -10.222 -6.616 8.556 941 HG11 VAL 117 HG11 VAL 117 -11.229 -4.415 8.019 942 HG12 VAL 117 HG12 VAL 117 -10.125 -4.223 6.643 943 HG13 VAL 117 HG13 VAL 117 -11.366 -5.489 6.623 944 HG21 VAL 117 HG21 VAL 117 -8.426 -6.138 6.134 945 HG22 VAL 117 HG22 VAL 117 -8.369 -7.538 7.223 946 HG23 VAL 117 HG23 VAL 117 -9.782 -7.275 6.200 947 H GLU 118 H GLU 118 -8.634 -2.686 9.264 948 HA GLU 118 HA GLU 118 -10.169 -2.891 11.837 949 HB2 GLU 118 HB1 GLU 118 -7.940 -0.983 11.121 950 HB3 GLU 118 HB2 GLU 118 -8.732 -1.204 12.702 951 HG2 GLU 118 HG1 GLU 118 -7.710 -3.449 12.891 952 HG3 GLU 118 HG2 GLU 118 -6.886 -3.199 11.333 953 H ALA 119 H ALA 119 -11.770 -1.358 12.219 954 HA ALA 119 HA ALA 119 -12.285 0.756 10.175 955 HB1 ALA 119 HB1 ALA 119 -14.223 -0.593 10.677 956 HB2 ALA 119 HB2 ALA 119 -13.984 -0.369 12.433 957 HB3 ALA 119 HB3 ALA 119 -14.440 1.003 11.412 958 H ARG 120 H ARG 120 -10.468 1.980 10.713 959 HA ARG 120 HA ARG 120 -10.783 4.093 12.590 960 HB2 ARG 120 HB1 ARG 120 -8.739 3.569 13.984 961 HB3 ARG 120 HB2 ARG 120 -10.226 2.656 14.352 962 HG2 ARG 120 HG1 ARG 120 -9.134 0.745 14.172 963 HG3 ARG 120 HG2 ARG 120 -8.679 1.104 12.494 964 HD2 ARG 120 HD1 ARG 120 -7.105 1.905 14.963 965 HD3 ARG 120 HD2 ARG 120 -6.701 0.603 13.833 966 HE ARG 120 HE ARG 120 -7.049 3.403 12.900 967 HH11 ARG 120 HH12 ARG 120 -5.099 0.438 12.541 968 HH12 ARG 120 HH11 ARG 120 -4.166 1.202 11.344 969 HH21 ARG 120 HH22 ARG 120 -6.035 4.119 11.435 970 HH22 ARG 120 HH21 ARG 120 -4.536 3.383 10.787 Start of MODEL 25 1 H1 GLY 1 1H GLY 1 6.093 2.285 22.405 2 H2 GLY 1 2H GLY 1 6.124 0.982 21.416 3 H3 GLY 1 3H GLY 1 5.580 0.820 22.974 4 HA2 GLY 1 HA3 GLY 1 3.709 0.848 21.445 5 HA3 GLY 1 HA2 GLY 1 3.703 2.288 22.487 6 H SER 2 H SER 2 3.657 1.221 19.250 7 HA SER 2 HA SER 2 4.908 3.344 17.775 8 HB2 SER 2 HB1 SER 2 7.130 2.034 17.637 9 HB3 SER 2 HB2 SER 2 6.864 2.999 19.108 10 HG SER 2 HG SER 2 6.641 0.200 18.737 11 H PHE 3 H PHE 3 5.073 2.712 15.570 12 HA PHE 3 HA PHE 3 3.938 0.033 14.908 13 HB2 PHE 3 HB1 PHE 3 3.824 2.708 13.475 14 HB3 PHE 3 HB2 PHE 3 3.210 1.185 12.805 15 HD1 PHE 3 HD2 PHE 3 1.180 0.133 13.677 16 HD2 PHE 3 HD1 PHE 3 2.617 3.876 15.270 17 HE1 PHE 3 HE2 PHE 3 -1.004 0.501 14.789 18 HE2 PHE 3 HE1 PHE 3 0.423 4.240 16.380 19 HZ PHE 3 HZ PHE 3 -1.388 2.552 16.143 20 H THR 4 H THR 4 4.676 -0.995 13.075 21 HA THR 4 HA THR 4 6.594 -0.046 11.232 22 HB THR 4 HB THR 4 8.248 -0.431 12.928 23 HG1 THR 4 HG1 THR 4 7.993 -2.186 10.790 24 HG21 THR 4 HG21 THR 4 7.220 -2.211 14.300 25 HG22 THR 4 HG22 THR 4 8.814 -2.716 13.712 26 HG23 THR 4 HG23 THR 4 7.346 -3.352 12.943 27 H GLU 5 H GLU 5 4.033 -1.136 11.379 28 HA GLU 5 HA GLU 5 4.078 -2.960 9.223 29 HB2 GLU 5 HB1 GLU 5 4.164 -4.451 11.390 30 HB3 GLU 5 HB2 GLU 5 2.465 -3.988 11.567 31 HG2 GLU 5 HG1 GLU 5 2.119 -4.803 9.169 32 HG3 GLU 5 HG2 GLU 5 3.777 -5.438 9.216 33 H GLY 6 H GLY 6 1.614 -3.246 8.612 34 HA2 GLY 6 HA3 GLY 6 0.320 -0.594 9.094 35 HA3 GLY 6 HA2 GLY 6 0.475 -1.294 7.467 36 H TRP 7 H TRP 7 -1.883 -0.808 7.691 37 HA TRP 7 HA TRP 7 -3.119 -3.427 8.134 38 HB2 TRP 7 HB1 TRP 7 -5.172 -2.445 9.010 39 HB3 TRP 7 HB2 TRP 7 -3.791 -2.131 10.074 40 HD1 TRP 7 HD TRP 7 -6.434 -0.433 8.041 41 HE1 TRP 7 HE1 TRP 7 -6.454 2.068 8.536 42 HE3 TRP 7 3HE TRP 7 -1.986 -0.083 10.561 43 HZ2 TRP 7 HZ2 TRP 7 -4.681 4.020 9.719 44 HZ3 TRP 7 HZ3 TRP 7 -1.159 2.123 11.330 45 HH2 TRP 7 HH TRP 7 -2.499 4.183 10.921 46 H VAL 8 H VAL 8 -5.073 -3.721 6.848 47 HA VAL 8 HA VAL 8 -5.042 -2.185 4.270 48 HB VAL 8 HB VAL 8 -6.511 -4.796 4.756 49 HG11 VAL 8 HG11 VAL 8 -6.436 -4.947 2.276 50 HG12 VAL 8 HG12 VAL 8 -7.295 -3.498 2.804 51 HG13 VAL 8 HG13 VAL 8 -5.631 -3.371 2.205 52 HG21 VAL 8 HG21 VAL 8 -4.640 -5.911 3.522 53 HG22 VAL 8 HG22 VAL 8 -3.703 -4.407 3.635 54 HG23 VAL 8 HG23 VAL 8 -4.153 -5.310 5.105 55 H ARG 9 H ARG 9 -6.819 -1.050 3.602 56 HA ARG 9 HA ARG 9 -8.594 0.050 5.453 57 HB2 ARG 9 HB1 ARG 9 -7.938 1.150 3.455 58 HB3 ARG 9 HB2 ARG 9 -8.677 -0.074 2.428 59 HG2 ARG 9 HG1 ARG 9 -10.428 1.494 4.322 60 HG3 ARG 9 HG2 ARG 9 -9.786 2.280 2.842 61 HD2 ARG 9 HD1 ARG 9 -10.738 0.263 1.573 62 HD3 ARG 9 HD2 ARG 9 -11.673 -0.089 3.025 63 HE ARG 9 HE ARG 9 -12.343 2.472 2.662 64 HH11 ARG 9 HH12 ARG 9 -12.447 -0.255 0.371 65 HH12 ARG 9 HH11 ARG 9 -13.357 0.634 -0.787 66 HH21 ARG 9 HH22 ARG 9 -13.832 3.429 1.188 67 HH22 ARG 9 HH21 ARG 9 -14.241 2.573 -0.274 68 H PHE 10 H PHE 10 -10.047 -1.012 6.575 69 HA PHE 10 HA PHE 10 -11.849 -3.078 5.912 70 HB2 PHE 10 HB1 PHE 10 -11.946 -2.692 8.133 71 HB3 PHE 10 HB2 PHE 10 -11.549 -0.976 7.974 72 HD1 PHE 10 HD1 PHE 10 -14.444 -3.271 7.306 73 HD2 PHE 10 HD2 PHE 10 -13.137 0.605 8.605 74 HE1 PHE 10 HE1 PHE 10 -16.792 -2.603 7.606 75 HE2 PHE 10 HE2 PHE 10 -15.486 1.268 8.978 76 HZ PHE 10 HZ PHE 10 -17.333 -0.318 8.470 77 H SER 11 H SER 11 -13.631 -3.209 4.630 78 HA SER 11 HA SER 11 -15.677 -1.363 4.691 79 HB2 SER 11 HB1 SER 11 -13.703 -1.019 2.478 80 HB3 SER 11 HB2 SER 11 -15.391 -1.079 1.987 81 HG SER 11 HG SER 11 -14.286 0.554 4.049 82 HA PRO 12 HA PRO 12 -17.573 -4.921 2.506 83 HB2 PRO 12 HB1 PRO 12 -20.141 -4.191 2.537 84 HB3 PRO 12 HB2 PRO 12 -19.263 -4.429 4.081 85 HG2 PRO 12 HG1 PRO 12 -19.759 -1.807 2.620 86 HG3 PRO 12 HG2 PRO 12 -20.108 -2.183 4.344 87 HD2 PRO 12 HD1 PRO 12 -17.765 -0.975 3.460 88 HD3 PRO 12 HD2 PRO 12 -17.860 -1.996 4.926 89 H GLY 13 H GLY 13 -16.086 -3.193 0.938 90 HA2 GLY 13 HA3 GLY 13 -17.845 -2.300 -1.318 91 HA3 GLY 13 HA2 GLY 13 -16.379 -1.430 -0.813 92 HA PRO 14 HA PRO 14 -15.507 -4.894 -4.050 93 HB2 PRO 14 HB1 PRO 14 -15.568 -3.538 -6.427 94 HB3 PRO 14 HB2 PRO 14 -17.023 -4.266 -5.692 95 HG2 PRO 14 HG1 PRO 14 -16.089 -1.386 -5.511 96 HG3 PRO 14 HG2 PRO 14 -17.732 -1.993 -5.933 97 HD2 PRO 14 HD1 PRO 14 -17.105 -1.183 -3.405 98 HD3 PRO 14 HD2 PRO 14 -18.174 -2.588 -3.689 99 H ASN 15 H ASN 15 -14.350 -1.640 -3.509 100 HA ASN 15 HA ASN 15 -11.600 -2.368 -4.298 101 HB2 ASN 15 HB1 ASN 15 -11.270 0.113 -4.160 102 HB3 ASN 15 HB2 ASN 15 -12.335 -0.431 -5.463 103 HD21 ASN 15 HD21 ASN 15 -13.949 1.060 -5.764 104 HD22 ASN 15 HD22 ASN 15 -14.804 1.860 -4.454 105 H ALA 16 H ALA 16 -9.935 -1.551 -2.917 106 HA ALA 16 HA ALA 16 -10.357 -0.521 -0.304 107 HB1 ALA 16 HB1 ALA 16 -9.325 -2.365 1.014 108 HB2 ALA 16 HB2 ALA 16 -10.829 -2.867 0.253 109 HB3 ALA 16 HB3 ALA 16 -9.278 -3.374 -0.449 110 H ALA 17 H ALA 17 -7.812 -0.976 0.794 111 HA ALA 17 HA ALA 17 -5.775 -0.005 -1.055 112 HB1 ALA 17 HB1 ALA 17 -5.493 2.170 0.073 113 HB2 ALA 17 HB2 ALA 17 -7.080 2.067 -0.717 114 HB3 ALA 17 HB3 ALA 17 -6.941 1.875 1.047 115 H ALA 18 H ALA 18 -3.727 -0.544 -0.105 116 HA ALA 18 HA ALA 18 -3.812 -1.610 2.704 117 HB1 ALA 18 HB1 ALA 18 -3.528 -3.400 1.032 118 HB2 ALA 18 HB2 ALA 18 -2.090 -2.571 0.391 119 HB3 ALA 18 HB3 ALA 18 -2.086 -3.198 2.044 120 H TYR 19 H TYR 19 -2.489 -0.810 4.152 121 HA TYR 19 HA TYR 19 -0.684 1.334 3.294 122 HB2 TYR 19 HB1 TYR 19 -2.218 0.949 5.886 123 HB3 TYR 19 HB2 TYR 19 -1.239 2.372 5.468 124 HD1 TYR 19 HD2 TYR 19 -1.891 3.404 3.064 125 HD2 TYR 19 HD1 TYR 19 -4.513 1.286 5.732 126 HE1 TYR 19 HE2 TYR 19 -3.853 4.545 2.024 127 HE2 TYR 19 HE1 TYR 19 -6.465 2.460 4.766 128 HH TYR 19 HH TYR 19 -7.162 4.014 3.259 129 H LEU 20 H LEU 20 0.486 -1.286 3.496 130 HA LEU 20 HA LEU 20 1.677 -1.773 6.028 131 HB2 LEU 20 HB1 LEU 20 2.952 -3.491 5.002 132 HB3 LEU 20 HB2 LEU 20 1.288 -3.562 4.429 133 HG LEU 20 HG LEU 20 3.597 -2.359 2.834 134 HD11 LEU 20 HD11 LEU 20 2.371 -5.145 2.726 135 HD12 LEU 20 HD12 LEU 20 4.017 -4.719 3.251 136 HD13 LEU 20 HD13 LEU 20 3.541 -4.482 1.563 137 HD21 LEU 20 HD21 LEU 20 0.659 -2.882 2.286 138 HD22 LEU 20 HD22 LEU 20 1.822 -3.018 0.975 139 HD23 LEU 20 HD23 LEU 20 1.662 -1.480 1.843 140 H THR 21 H THR 21 3.810 -1.944 6.693 141 HA THR 21 HA THR 21 5.628 0.211 5.913 142 HB THR 21 HB THR 21 5.835 -2.050 7.913 143 HG1 THR 21 HG1 THR 21 5.778 0.554 8.797 144 HG21 THR 21 HG21 THR 21 7.820 0.133 7.207 145 HG22 THR 21 HG22 THR 21 8.093 -1.597 7.463 146 HG23 THR 21 HG23 THR 21 7.722 -0.556 8.848 147 H LEU 22 H LEU 22 7.117 0.058 4.374 148 HA LEU 22 HA LEU 22 8.010 -2.589 3.352 149 HB2 LEU 22 HB1 LEU 22 7.190 -1.243 1.578 150 HB3 LEU 22 HB2 LEU 22 8.001 0.216 2.184 151 HG LEU 22 HG LEU 22 10.184 -0.731 1.593 152 HD11 LEU 22 HD11 LEU 22 8.703 -2.956 0.162 153 HD12 LEU 22 HD12 LEU 22 9.551 -3.188 1.706 154 HD13 LEU 22 HD13 LEU 22 10.455 -2.700 0.274 155 HD21 LEU 22 HD21 LEU 22 8.135 -0.661 -0.667 156 HD22 LEU 22 HD22 LEU 22 9.893 -0.524 -0.876 157 HD23 LEU 22 HD23 LEU 22 9.004 0.730 0.011 158 H GLU 23 H GLU 23 10.002 -3.288 3.900 159 HA GLU 23 HA GLU 23 11.989 -1.327 4.900 160 HB2 GLU 23 HB1 GLU 23 12.748 -2.805 6.573 161 HB3 GLU 23 HB2 GLU 23 11.021 -2.511 6.826 162 HG2 GLU 23 HG1 GLU 23 10.460 -4.729 6.078 163 HG3 GLU 23 HG2 GLU 23 12.109 -5.033 5.494 164 H ASN 24 H ASN 24 14.109 -1.802 4.557 165 HA ASN 24 HA ASN 24 14.738 -4.059 2.680 166 HB2 ASN 24 HB1 ASN 24 14.911 -1.802 1.665 167 HB3 ASN 24 HB2 ASN 24 16.105 -1.347 2.886 168 HD21 ASN 24 HD21 ASN 24 16.893 -1.193 0.286 169 HD22 ASN 24 HD22 ASN 24 17.974 -2.551 -0.080 170 HA PRO 25 HA PRO 25 17.121 -4.841 6.534 171 HB2 PRO 25 HB1 PRO 25 16.987 -7.557 6.551 172 HB3 PRO 25 HB2 PRO 25 15.588 -6.543 7.022 173 HG2 PRO 25 HG1 PRO 25 16.139 -7.784 4.306 174 HG3 PRO 25 HG2 PRO 25 14.630 -7.897 5.275 175 HD2 PRO 25 HD1 PRO 25 14.944 -6.050 3.287 176 HD3 PRO 25 HD2 PRO 25 14.059 -5.662 4.789 177 H GLY 26 H GLY 26 17.718 -5.455 3.199 178 HA2 GLY 26 HA3 GLY 26 20.185 -6.986 3.567 179 HA3 GLY 26 HA2 GLY 26 19.404 -6.522 2.038 180 H ASP 27 H ASP 27 21.826 -6.213 1.775 181 HA ASP 27 HA ASP 27 22.911 -3.642 2.695 182 HB2 ASP 27 HB1 ASP 27 23.967 -6.306 1.676 183 HB3 ASP 27 HB2 ASP 27 24.978 -4.906 2.045 184 H LEU 28 H LEU 28 21.294 -4.682 0.120 185 HA LEU 28 HA LEU 28 22.532 -2.803 -1.798 186 HB2 LEU 28 HB1 LEU 28 22.007 -4.313 -3.624 187 HB3 LEU 28 HB2 LEU 28 23.067 -5.075 -2.400 188 HG LEU 28 HG LEU 28 20.861 -6.159 -1.517 189 HD11 LEU 28 HD11 LEU 28 19.998 -5.416 -4.357 190 HD12 LEU 28 HD12 LEU 28 19.185 -4.953 -2.849 191 HD13 LEU 28 HD13 LEU 28 19.203 -6.637 -3.342 192 HD21 LEU 28 HD21 LEU 28 22.707 -7.388 -2.592 193 HD22 LEU 28 HD22 LEU 28 22.064 -6.982 -4.198 194 HD23 LEU 28 HD23 LEU 28 21.143 -8.036 -3.100 195 HA PRO 29 HA PRO 29 18.571 -1.018 -1.771 196 HB2 PRO 29 HB1 PRO 29 18.247 0.217 -4.170 197 HB3 PRO 29 HB2 PRO 29 19.533 0.673 -3.008 198 HG2 PRO 29 HG1 PRO 29 19.757 -1.113 -5.436 199 HG3 PRO 29 HG2 PRO 29 20.869 0.200 -4.917 200 HD2 PRO 29 HD1 PRO 29 21.285 -2.492 -4.401 201 HD3 PRO 29 HD2 PRO 29 21.899 -1.210 -3.334 202 H LEU 30 H LEU 30 16.422 -1.366 -2.055 203 HA LEU 30 HA LEU 30 15.502 -3.490 -3.957 204 HB2 LEU 30 HB1 LEU 30 14.617 -2.559 -1.242 205 HB3 LEU 30 HB2 LEU 30 13.397 -3.227 -2.334 206 HG LEU 30 HG LEU 30 14.300 -5.370 -2.244 207 HD11 LEU 30 HD11 LEU 30 16.415 -6.022 -1.143 208 HD12 LEU 30 HD12 LEU 30 16.841 -4.313 -0.966 209 HD13 LEU 30 HD13 LEU 30 16.675 -5.029 -2.578 210 HD21 LEU 30 HD21 LEU 30 14.580 -4.173 0.508 211 HD22 LEU 30 HD22 LEU 30 14.344 -5.893 0.146 212 HD23 LEU 30 HD23 LEU 30 13.081 -4.718 -0.254 213 H ARG 31 H ARG 31 13.651 -3.149 -5.041 214 HA ARG 31 HA ARG 31 12.539 -0.407 -5.298 215 HB2 ARG 31 HB1 ARG 31 14.374 -0.680 -7.011 216 HB3 ARG 31 HB2 ARG 31 13.378 -1.937 -7.772 217 HG2 ARG 31 HG1 ARG 31 11.578 -0.330 -8.151 218 HG3 ARG 31 HG2 ARG 31 12.439 0.922 -7.233 219 HD2 ARG 31 HD1 ARG 31 13.393 -0.292 -9.854 220 HD3 ARG 31 HD2 ARG 31 12.568 1.279 -9.663 221 HE ARG 31 HE ARG 31 14.518 2.023 -8.298 222 HH11 ARG 31 HH12 ARG 31 15.208 -0.621 -10.555 223 HH12 ARG 31 HH11 ARG 31 16.922 -0.317 -10.449 224 HH21 ARG 31 HH22 ARG 31 16.582 2.205 -8.073 225 HH22 ARG 31 HH21 ARG 31 17.719 1.311 -9.037 226 H LEU 32 H LEU 32 10.536 -0.710 -4.782 227 HA LEU 32 HA LEU 32 9.094 -3.258 -5.153 228 HB2 LEU 32 HB1 LEU 32 9.090 -2.125 -3.021 229 HB3 LEU 32 HB2 LEU 32 8.574 -0.597 -3.740 230 HG LEU 32 HG LEU 32 6.845 -1.712 -2.435 231 HD11 LEU 32 HD11 LEU 32 5.040 -1.237 -3.845 232 HD12 LEU 32 HD12 LEU 32 5.868 -1.775 -5.300 233 HD13 LEU 32 HD13 LEU 32 6.327 -0.253 -4.490 234 HD21 LEU 32 HD21 LEU 32 7.595 -4.030 -2.924 235 HD22 LEU 32 HD22 LEU 32 6.875 -3.903 -4.535 236 HD23 LEU 32 HD23 LEU 32 5.842 -3.814 -3.092 237 H VAL 33 H VAL 33 8.068 -3.536 -7.067 238 HA VAL 33 HA VAL 33 7.215 -1.117 -8.653 239 HB VAL 33 HB VAL 33 7.410 -2.452 -10.664 240 HG11 VAL 33 HG11 VAL 33 9.830 -2.693 -10.786 241 HG12 VAL 33 HG12 VAL 33 9.435 -1.246 -9.856 242 HG13 VAL 33 HG13 VAL 33 9.966 -2.714 -9.019 243 HG21 VAL 33 HG21 VAL 33 6.914 -4.736 -9.750 244 HG22 VAL 33 HG22 VAL 33 8.375 -4.683 -10.733 245 HG23 VAL 33 HG23 VAL 33 8.511 -4.739 -8.968 246 H GLY 34 H GLY 34 6.048 -3.958 -7.006 247 HA2 GLY 34 HA3 GLY 34 3.278 -3.363 -7.641 248 HA3 GLY 34 HA2 GLY 34 3.846 -4.921 -8.282 249 H ALA 35 H ALA 35 1.909 -5.378 -6.785 250 HA ALA 35 HA ALA 35 3.143 -6.729 -4.488 251 HB1 ALA 35 HB1 ALA 35 0.661 -4.971 -4.279 252 HB2 ALA 35 HB2 ALA 35 1.081 -6.204 -3.071 253 HB3 ALA 35 HB3 ALA 35 2.175 -4.860 -3.355 254 H ARG 36 H ARG 36 1.447 -8.309 -3.602 255 HA ARG 36 HA ARG 36 -0.776 -8.965 -5.391 256 HB2 ARG 36 HB1 ARG 36 0.854 -11.244 -4.239 257 HB3 ARG 36 HB2 ARG 36 -0.569 -11.344 -5.303 258 HG2 ARG 36 HG1 ARG 36 0.681 -10.605 -7.197 259 HG3 ARG 36 HG2 ARG 36 2.092 -10.167 -6.195 260 HD2 ARG 36 HD1 ARG 36 2.515 -12.239 -7.352 261 HD3 ARG 36 HD2 ARG 36 2.489 -12.465 -5.608 262 HE ARG 36 HE ARG 36 0.104 -13.082 -7.315 263 HH11 ARG 36 HH12 ARG 36 2.164 -14.203 -4.680 264 HH12 ARG 36 HH11 ARG 36 1.873 -15.881 -5.014 265 HH21 ARG 36 HH22 ARG 36 -0.418 -15.258 -7.585 266 HH22 ARG 36 HH21 ARG 36 0.305 -16.459 -6.556 267 H THR 37 H THR 37 -2.252 -10.530 -4.054 268 HA THR 37 HA THR 37 -2.101 -10.841 -1.233 269 HB THR 37 HB THR 37 -2.462 -8.520 -1.006 270 HG1 THR 37 HG1 THR 37 -3.690 -9.493 0.396 271 HG21 THR 37 HG21 THR 37 -3.341 -7.846 -3.227 272 HG22 THR 37 HG22 THR 37 -4.425 -7.320 -1.934 273 HG23 THR 37 HG23 THR 37 -4.839 -8.749 -2.897 274 HA PRO 38 HA PRO 38 -5.127 -13.674 -2.884 275 HB2 PRO 38 HB1 PRO 38 -6.259 -14.746 -0.658 276 HB3 PRO 38 HB2 PRO 38 -4.541 -15.004 -1.121 277 HG2 PRO 38 HG1 PRO 38 -5.625 -13.042 0.896 278 HG3 PRO 38 HG2 PRO 38 -4.256 -14.193 1.090 279 HD2 PRO 38 HD1 PRO 38 -3.929 -11.552 0.381 280 HD3 PRO 38 HD2 PRO 38 -2.824 -12.808 -0.220 281 H VAL 39 H VAL 39 -5.989 -10.857 -1.211 282 HA VAL 39 HA VAL 39 -8.874 -11.112 -1.982 283 HB VAL 39 HB VAL 39 -9.376 -9.394 -0.261 284 HG11 VAL 39 HG11 VAL 39 -8.114 -11.953 0.797 285 HG12 VAL 39 HG12 VAL 39 -9.318 -10.942 1.619 286 HG13 VAL 39 HG13 VAL 39 -9.749 -11.787 0.119 287 HG21 VAL 39 HG21 VAL 39 -7.056 -8.433 0.034 288 HG22 VAL 39 HG22 VAL 39 -7.771 -8.972 1.559 289 HG23 VAL 39 HG23 VAL 39 -6.555 -9.975 0.757 290 H ALA 40 H ALA 40 -7.258 -10.542 -4.029 291 HA ALA 40 HA ALA 40 -8.657 -8.157 -4.944 292 HB1 ALA 40 HB1 ALA 40 -5.617 -8.137 -5.045 293 HB2 ALA 40 HB2 ALA 40 -6.723 -6.926 -5.715 294 HB3 ALA 40 HB3 ALA 40 -6.606 -7.120 -3.963 295 H GLU 41 H GLU 41 -8.689 -7.964 -7.166 296 HA GLU 41 HA GLU 41 -7.586 -10.160 -8.882 297 HB2 GLU 41 HB1 GLU 41 -10.082 -9.285 -8.929 298 HB3 GLU 41 HB2 GLU 41 -9.400 -7.906 -9.809 299 HG2 GLU 41 HG1 GLU 41 -10.060 -9.351 -11.526 300 HG3 GLU 41 HG2 GLU 41 -8.347 -9.749 -11.373 301 H ARG 42 H ARG 42 -7.603 -6.672 -8.194 302 HA ARG 42 HA ARG 42 -5.127 -6.250 -9.796 303 HB2 ARG 42 HB1 ARG 42 -7.770 -4.908 -9.849 304 HB3 ARG 42 HB2 ARG 42 -6.398 -3.791 -9.656 305 HG2 ARG 42 HG1 ARG 42 -5.356 -4.617 -11.677 306 HG3 ARG 42 HG2 ARG 42 -6.589 -5.882 -11.862 307 HD2 ARG 42 HD1 ARG 42 -8.296 -4.308 -12.344 308 HD3 ARG 42 HD2 ARG 42 -7.359 -2.950 -11.719 309 HE ARG 42 HE ARG 42 -6.800 -4.448 -14.252 310 HH11 ARG 42 HH12 ARG 42 -6.216 -1.512 -12.346 311 HH12 ARG 42 HH11 ARG 42 -5.677 -0.609 -13.667 312 HH21 ARG 42 HH22 ARG 42 -5.959 -3.244 -15.954 313 HH22 ARG 42 HH21 ARG 42 -5.556 -1.563 -15.721 314 H VAL 43 H VAL 43 -3.535 -5.466 -8.664 315 HA VAL 43 HA VAL 43 -4.063 -3.733 -6.341 316 HB VAL 43 HB VAL 43 -3.369 -5.891 -5.423 317 HG11 VAL 43 HG11 VAL 43 -1.129 -6.710 -5.560 318 HG12 VAL 43 HG12 VAL 43 -1.744 -6.604 -7.214 319 HG13 VAL 43 HG13 VAL 43 -0.585 -5.391 -6.613 320 HG21 VAL 43 HG21 VAL 43 -1.774 -4.997 -3.825 321 HG22 VAL 43 HG22 VAL 43 -1.358 -3.668 -4.934 322 HG23 VAL 43 HG23 VAL 43 -2.984 -3.771 -4.232 323 H GLU 44 H GLU 44 -3.056 -1.875 -6.494 324 HA GLU 44 HA GLU 44 -1.032 -1.399 -8.662 325 HB2 GLU 44 HB1 GLU 44 -3.840 -0.279 -8.387 326 HB3 GLU 44 HB2 GLU 44 -2.590 0.495 -9.389 327 HG2 GLU 44 HG1 GLU 44 -2.418 -1.412 -10.820 328 HG3 GLU 44 HG2 GLU 44 -3.418 -2.415 -9.752 329 H LEU 45 H LEU 45 0.323 0.342 -8.329 330 HA LEU 45 HA LEU 45 0.386 1.173 -5.515 331 HB2 LEU 45 HB1 LEU 45 2.281 0.084 -6.709 332 HB3 LEU 45 HB2 LEU 45 2.384 1.507 -7.773 333 HG LEU 45 HG LEU 45 2.764 2.876 -5.604 334 HD11 LEU 45 HD11 LEU 45 3.305 0.124 -4.466 335 HD12 LEU 45 HD12 LEU 45 2.005 1.219 -3.945 336 HD13 LEU 45 HD13 LEU 45 3.697 1.669 -3.690 337 HD21 LEU 45 HD21 LEU 45 5.119 2.388 -5.678 338 HD22 LEU 45 HD22 LEU 45 4.483 2.206 -7.307 339 HD23 LEU 45 HD23 LEU 45 4.815 0.753 -6.329 340 H HIS 46 H HIS 46 -0.181 3.081 -4.749 341 HA HIS 46 HA HIS 46 -0.309 5.479 -6.533 342 HB2 HIS 46 HB1 HIS 46 -2.057 4.541 -4.231 343 HB3 HIS 46 HB2 HIS 46 -2.120 6.199 -4.854 344 HD2 HIS 46 HD2 HIS 46 -1.964 3.972 -7.810 345 HE1 HIS 46 HE1 HIS 46 -6.076 4.067 -6.738 346 HE2 HIS 46 HE2 HIS 46 -4.394 3.412 -8.612 347 H GLU 47 H GLU 47 -0.129 7.477 -5.602 348 HA GLU 47 HA GLU 47 0.950 7.735 -2.846 349 HB2 GLU 47 HB1 GLU 47 2.406 9.452 -3.414 350 HB3 GLU 47 HB2 GLU 47 2.646 8.151 -4.627 351 HG2 GLU 47 HG1 GLU 47 1.360 9.422 -6.259 352 HG3 GLU 47 HG2 GLU 47 1.145 10.734 -5.087 353 H THR 48 H THR 48 0.076 9.438 -1.599 354 HA THR 48 HA THR 48 -2.298 10.809 -2.816 355 HB THR 48 HB THR 48 -1.717 10.287 0.084 356 HG1 THR 48 HG1 THR 48 -2.158 8.441 -0.628 357 HG21 THR 48 HG21 THR 48 -4.053 10.902 0.491 358 HG22 THR 48 HG22 THR 48 -4.312 11.187 -1.242 359 HG23 THR 48 HG23 THR 48 -3.232 12.250 -0.302 360 H PHE 49 H PHE 49 -2.355 12.961 -2.700 361 HA PHE 49 HA PHE 49 0.052 14.445 -1.772 362 HB2 PHE 49 HB1 PHE 49 -0.080 15.717 -3.879 363 HB3 PHE 49 HB2 PHE 49 0.233 14.010 -4.160 364 HD1 PHE 49 HD2 PHE 49 -2.479 16.595 -4.123 365 HD2 PHE 49 HD1 PHE 49 -1.232 12.786 -5.692 366 HE1 PHE 49 HE2 PHE 49 -4.449 16.582 -5.572 367 HE2 PHE 49 HE1 PHE 49 -3.182 12.809 -7.235 368 HZ PHE 49 HZ PHE 49 -4.802 14.695 -7.177 369 H MET 50 H MET 50 -0.312 16.784 -1.928 370 HA MET 50 HA MET 50 -3.021 17.603 -0.940 371 HB2 MET 50 HB1 MET 50 -0.314 18.942 -0.587 372 HB3 MET 50 HB2 MET 50 -1.869 19.574 0.009 373 HG2 MET 50 HG1 MET 50 -2.142 17.496 1.362 374 HG3 MET 50 HG2 MET 50 -0.524 16.978 0.864 375 HE1 MET 50 HE1 MET 50 -1.651 17.343 3.913 376 HE2 MET 50 HE2 MET 50 -1.368 18.942 4.633 377 HE3 MET 50 HE3 MET 50 -2.631 18.732 3.395 378 H ARG 51 H ARG 51 -4.153 19.207 -1.896 379 HA ARG 51 HA ARG 51 -2.956 20.829 -4.038 380 HB2 ARG 51 HB1 ARG 51 -5.238 18.943 -4.424 381 HB3 ARG 51 HB2 ARG 51 -5.225 20.491 -5.307 382 HG2 ARG 51 HG1 ARG 51 -3.076 18.381 -5.460 383 HG3 ARG 51 HG2 ARG 51 -4.373 18.668 -6.653 384 HD2 ARG 51 HD1 ARG 51 -2.601 19.712 -7.663 385 HD3 ARG 51 HD2 ARG 51 -3.346 21.063 -6.809 386 HE ARG 51 HE ARG 51 -1.353 19.666 -5.203 387 HH11 ARG 51 HH12 ARG 51 -1.641 22.227 -7.629 388 HH12 ARG 51 HH11 ARG 51 -0.105 22.920 -7.204 389 HH21 ARG 51 HH22 ARG 51 0.590 20.556 -4.735 390 HH22 ARG 51 HH21 ARG 51 1.183 21.953 -5.591 391 H GLU 52 H GLU 52 -3.786 22.885 -4.263 392 HA GLU 52 HA GLU 52 -6.201 23.720 -2.852 393 HB2 GLU 52 HB1 GLU 52 -4.081 25.139 -3.297 394 HB3 GLU 52 HB2 GLU 52 -4.537 25.070 -5.017 395 HG2 GLU 52 HG1 GLU 52 -5.528 27.035 -4.335 396 HG3 GLU 52 HG2 GLU 52 -6.876 25.921 -4.186 397 H VAL 53 H VAL 53 -8.161 23.433 -3.990 398 HA VAL 53 HA VAL 53 -8.147 23.764 -6.909 399 HB VAL 53 HB VAL 53 -9.809 21.471 -5.780 400 HG11 VAL 53 HG11 VAL 53 -8.984 22.209 -8.636 401 HG12 VAL 53 HG12 VAL 53 -10.070 20.883 -8.169 402 HG13 VAL 53 HG13 VAL 53 -10.563 22.559 -7.922 403 HG21 VAL 53 HG21 VAL 53 -8.322 19.844 -6.864 404 HG22 VAL 53 HG22 VAL 53 -7.179 21.132 -7.289 405 HG23 VAL 53 HG23 VAL 53 -7.470 20.707 -5.586 406 H GLU 54 H GLU 54 -9.962 24.942 -7.507 407 HA GLU 54 HA GLU 54 -11.725 26.354 -7.320 408 HB2 GLU 54 HB1 GLU 54 -12.634 24.725 -4.941 409 HB3 GLU 54 HB2 GLU 54 -13.646 25.777 -5.944 410 HG2 GLU 54 HG1 GLU 54 -13.623 24.179 -7.751 411 HG3 GLU 54 HG2 GLU 54 -12.423 23.169 -6.908 412 H GLY 55 H GLY 55 -9.296 26.687 -5.419 413 HA2 GLY 55 HA3 GLY 55 -8.617 28.286 -3.837 414 HA3 GLY 55 HA2 GLY 55 -10.260 28.967 -3.851 415 H LYS 56 H LYS 56 -9.532 25.574 -3.204 416 HA LYS 56 HA LYS 56 -10.117 25.800 -0.351 417 HB2 LYS 56 HB1 LYS 56 -11.577 23.972 -2.303 418 HB3 LYS 56 HB2 LYS 56 -11.585 23.750 -0.537 419 HG2 LYS 56 HG1 LYS 56 -12.694 25.891 -0.225 420 HG3 LYS 56 HG2 LYS 56 -12.615 26.248 -1.960 421 HD2 LYS 56 HD1 LYS 56 -14.123 23.873 -0.779 422 HD3 LYS 56 HD2 LYS 56 -14.860 25.447 -1.195 423 HE2 LYS 56 HE1 LYS 56 -14.110 25.194 -3.520 424 HE3 LYS 56 HE2 LYS 56 -13.360 23.629 -3.144 425 HZ1 LYS 56 HZ1 LYS 56 -15.583 22.784 -2.667 426 HZ2 LYS 56 HZ2 LYS 56 -15.382 23.295 -4.193 427 HZ3 LYS 56 HZ3 LYS 56 -16.242 24.238 -3.179 428 H LYS 57 H LYS 57 -9.120 24.334 0.783 429 HA LYS 57 HA LYS 57 -6.778 22.955 -0.298 430 HB2 LYS 57 HB1 LYS 57 -7.652 22.772 2.567 431 HB3 LYS 57 HB2 LYS 57 -6.016 22.796 1.907 432 HG2 LYS 57 HG1 LYS 57 -7.915 25.128 2.309 433 HG3 LYS 57 HG2 LYS 57 -6.415 24.805 3.196 434 HD2 LYS 57 HD1 LYS 57 -5.081 25.369 1.260 435 HD3 LYS 57 HD2 LYS 57 -6.530 25.435 0.229 436 HE2 LYS 57 HE1 LYS 57 -7.337 27.244 1.979 437 HE3 LYS 57 HE2 LYS 57 -5.611 27.377 2.356 438 HZ1 LYS 57 HZ1 LYS 57 -5.302 27.718 -0.113 439 HZ2 LYS 57 HZ2 LYS 57 -6.220 28.940 0.570 440 HZ3 LYS 57 HZ3 LYS 57 -6.851 27.693 -0.326 441 H VAL 58 H VAL 58 -6.921 20.906 -1.058 442 HA VAL 58 HA VAL 58 -8.645 18.886 0.254 443 HB VAL 58 HB VAL 58 -9.140 18.066 -2.032 444 HG11 VAL 58 HG11 VAL 58 -10.982 19.592 -2.503 445 HG12 VAL 58 HG12 VAL 58 -10.808 19.391 -0.750 446 HG13 VAL 58 HG13 VAL 58 -10.217 20.872 -1.541 447 HG21 VAL 58 HG21 VAL 58 -7.352 19.194 -3.305 448 HG22 VAL 58 HG22 VAL 58 -8.957 19.467 -3.995 449 HG23 VAL 58 HG23 VAL 58 -8.174 20.754 -3.061 450 H MET 59 H MET 59 -8.084 16.666 -0.651 451 HA MET 59 HA MET 59 -5.240 16.330 -1.410 452 HB2 MET 59 HB1 MET 59 -6.562 14.868 0.902 453 HB3 MET 59 HB2 MET 59 -4.988 14.447 0.169 454 HG2 MET 59 HG1 MET 59 -4.277 16.840 0.685 455 HG3 MET 59 HG2 MET 59 -5.714 16.979 1.688 456 HE1 MET 59 HE1 MET 59 -5.595 16.450 4.282 457 HE2 MET 59 HE2 MET 59 -6.274 15.016 3.468 458 HE3 MET 59 HE3 MET 59 -5.043 14.823 4.736 459 H GLY 60 H GLY 60 -4.844 14.707 -2.741 460 HA2 GLY 60 HA3 GLY 60 -7.025 12.887 -3.619 461 HA3 GLY 60 HA2 GLY 60 -6.254 13.946 -4.822 462 H MET 61 H MET 61 -6.013 11.344 -5.426 463 HA MET 61 HA MET 61 -3.192 10.700 -4.772 464 HB2 MET 61 HB1 MET 61 -4.103 8.190 -4.958 465 HB3 MET 61 HB2 MET 61 -3.942 9.062 -3.413 466 HG2 MET 61 HG1 MET 61 -6.203 9.490 -3.252 467 HG3 MET 61 HG2 MET 61 -6.519 9.169 -4.958 468 HE1 MET 61 HE1 MET 61 -7.474 7.911 -1.609 469 HE2 MET 61 HE2 MET 61 -6.519 6.402 -1.435 470 HE3 MET 61 HE3 MET 61 -5.687 7.968 -1.595 471 H ARG 62 H ARG 62 -1.994 9.795 -6.310 472 HA ARG 62 HA ARG 62 -3.231 9.233 -8.966 473 HB2 ARG 62 HB1 ARG 62 -1.394 10.201 -10.127 474 HB3 ARG 62 HB2 ARG 62 -2.002 11.426 -9.008 475 HG2 ARG 62 HG1 ARG 62 -0.128 11.034 -7.498 476 HG3 ARG 62 HG2 ARG 62 0.437 9.661 -8.488 477 HD2 ARG 62 HD1 ARG 62 0.746 11.257 -10.408 478 HD3 ARG 62 HD2 ARG 62 0.434 12.584 -9.265 479 HE ARG 62 HE ARG 62 2.426 11.991 -8.040 480 HH11 ARG 62 HH12 ARG 62 2.089 9.588 -10.594 481 HH12 ARG 62 HH11 ARG 62 3.767 9.180 -10.486 482 HH21 ARG 62 HH22 ARG 62 4.302 11.215 -7.772 483 HH22 ARG 62 HH21 ARG 62 5.029 10.060 -8.825 484 HA PRO 63 HA PRO 63 -0.749 5.516 -8.545 485 HB2 PRO 63 HB1 PRO 63 -0.476 4.612 -11.072 486 HB3 PRO 63 HB2 PRO 63 -2.057 4.609 -10.235 487 HG2 PRO 63 HG1 PRO 63 -0.980 6.697 -12.156 488 HG3 PRO 63 HG2 PRO 63 -2.584 5.882 -12.199 489 HD2 PRO 63 HD1 PRO 63 -2.219 8.355 -11.058 490 HD3 PRO 63 HD2 PRO 63 -3.379 7.168 -10.389 491 H VAL 64 H VAL 64 1.334 4.671 -8.940 492 HA VAL 64 HA VAL 64 3.351 6.450 -10.231 493 HB VAL 64 HB VAL 64 4.886 5.562 -8.247 494 HG11 VAL 64 HG11 VAL 64 3.031 7.938 -7.899 495 HG12 VAL 64 HG12 VAL 64 4.600 7.665 -7.098 496 HG13 VAL 64 HG13 VAL 64 4.543 7.904 -8.847 497 HG21 VAL 64 HG21 VAL 64 2.263 5.831 -6.739 498 HG22 VAL 64 HG22 VAL 64 3.034 4.290 -7.165 499 HG23 VAL 64 HG23 VAL 64 3.867 5.432 -6.087 500 HA PRO 65 HA PRO 65 4.705 2.653 -11.966 501 HB2 PRO 65 HB1 PRO 65 7.248 3.130 -12.708 502 HB3 PRO 65 HB2 PRO 65 5.888 4.092 -13.366 503 HG2 PRO 65 HG1 PRO 65 7.731 4.815 -11.068 504 HG3 PRO 65 HG2 PRO 65 7.286 5.827 -12.491 505 HD2 PRO 65 HD1 PRO 65 6.012 6.021 -10.060 506 HD3 PRO 65 HD2 PRO 65 5.161 6.271 -11.605 507 H PHE 66 H PHE 66 6.478 3.755 -9.135 508 HA PHE 66 HA PHE 66 6.725 1.203 -7.953 509 HB2 PHE 66 HB1 PHE 66 9.124 0.839 -8.039 510 HB3 PHE 66 HB2 PHE 66 8.426 0.733 -9.642 511 HD1 PHE 66 HD1 PHE 66 10.620 2.587 -7.398 512 HD2 PHE 66 HD2 PHE 66 8.960 2.396 -11.337 513 HE1 PHE 66 HE1 PHE 66 12.204 4.342 -8.085 514 HE2 PHE 66 HE2 PHE 66 10.628 4.123 -12.114 515 HZ PHE 66 HZ PHE 66 12.242 5.098 -10.482 516 H LEU 67 H LEU 67 8.046 1.256 -6.001 517 HA LEU 67 HA LEU 67 8.917 3.930 -5.015 518 HB2 LEU 67 HB1 LEU 67 8.360 1.540 -3.220 519 HB3 LEU 67 HB2 LEU 67 8.727 3.198 -2.722 520 HG LEU 67 HG LEU 67 6.140 2.089 -3.826 521 HD11 LEU 67 HD11 LEU 67 6.556 1.647 -1.468 522 HD12 LEU 67 HD12 LEU 67 5.251 2.835 -1.649 523 HD13 LEU 67 HD13 LEU 67 6.878 3.372 -1.172 524 HD21 LEU 67 HD21 LEU 67 6.478 4.376 -4.775 525 HD22 LEU 67 HD22 LEU 67 6.739 5.002 -3.133 526 HD23 LEU 67 HD23 LEU 67 5.163 4.312 -3.606 527 H GLU 68 H GLU 68 10.955 3.801 -3.758 528 HA GLU 68 HA GLU 68 12.573 1.367 -4.210 529 HB2 GLU 68 HB1 GLU 68 13.172 2.804 -6.045 530 HB3 GLU 68 HB2 GLU 68 13.359 4.205 -4.981 531 HG2 GLU 68 HG1 GLU 68 15.367 3.421 -4.081 532 HG3 GLU 68 HG2 GLU 68 14.997 1.722 -4.479 533 H VAL 69 H VAL 69 14.148 1.015 -2.668 534 HA VAL 69 HA VAL 69 14.362 2.991 -0.553 535 HB VAL 69 HB VAL 69 13.639 0.065 0.068 536 HG11 VAL 69 HG11 VAL 69 13.377 0.794 2.437 537 HG12 VAL 69 HG12 VAL 69 15.029 0.993 1.879 538 HG13 VAL 69 HG13 VAL 69 13.970 2.411 2.005 539 HG21 VAL 69 HG21 VAL 69 11.922 2.561 0.366 540 HG22 VAL 69 HG22 VAL 69 11.619 1.166 -0.692 541 HG23 VAL 69 HG23 VAL 69 11.526 0.985 1.061 542 HA PRO 70 HA PRO 70 18.595 1.594 -0.867 543 HB2 PRO 70 HB1 PRO 70 19.764 3.174 1.022 544 HB3 PRO 70 HB2 PRO 70 19.135 3.835 -0.517 545 HG2 PRO 70 HG1 PRO 70 17.731 3.745 2.172 546 HG3 PRO 70 HG2 PRO 70 17.942 5.165 1.084 547 HD2 PRO 70 HD1 PRO 70 15.665 3.665 1.069 548 HD3 PRO 70 HD2 PRO 70 16.341 4.336 -0.442 549 HA PRO 71 HA PRO 71 19.103 -1.574 2.118 550 HB2 PRO 71 HB1 PRO 71 21.792 -1.500 2.799 551 HB3 PRO 71 HB2 PRO 71 21.049 -2.240 1.346 552 HG2 PRO 71 HG1 PRO 71 22.373 0.452 1.608 553 HG3 PRO 71 HG2 PRO 71 22.496 -0.738 0.255 554 HD2 PRO 71 HD1 PRO 71 20.877 1.440 0.104 555 HD3 PRO 71 HD2 PRO 71 20.414 -0.137 -0.602 556 H LYS 72 H LYS 72 18.879 -2.028 4.183 557 HA LYS 72 HA LYS 72 18.510 -1.840 6.381 558 HB2 LYS 72 HB1 LYS 72 20.460 0.463 6.499 559 HB3 LYS 72 HB2 LYS 72 19.991 -0.637 7.810 560 HG2 LYS 72 HG1 LYS 72 21.601 -1.340 5.329 561 HG3 LYS 72 HG2 LYS 72 22.208 -1.149 6.983 562 HD2 LYS 72 HD1 LYS 72 21.032 -3.161 7.697 563 HD3 LYS 72 HD2 LYS 72 20.190 -3.275 6.126 564 HE2 LYS 72 HE1 LYS 72 22.396 -3.486 5.000 565 HE3 LYS 72 HE2 LYS 72 23.193 -3.577 6.566 566 HZ1 LYS 72 HZ1 LYS 72 21.099 -5.449 5.603 567 HZ2 LYS 72 HZ2 LYS 72 21.955 -5.613 6.992 568 HZ3 LYS 72 HZ3 LYS 72 22.707 -5.734 5.527 569 H GLY 73 H GLY 73 17.591 0.480 4.329 570 HA2 GLY 73 HA3 GLY 73 16.325 2.384 6.122 571 HA3 GLY 73 HA2 GLY 73 16.092 2.264 4.363 572 H ARG 74 H ARG 74 14.086 2.875 6.278 573 HA ARG 74 HA ARG 74 12.091 0.773 5.586 574 HB2 ARG 74 HB1 ARG 74 12.287 2.426 8.134 575 HB3 ARG 74 HB2 ARG 74 10.788 1.619 7.598 576 HG2 ARG 74 HG1 ARG 74 11.905 -0.561 7.709 577 HG3 ARG 74 HG2 ARG 74 13.401 0.219 8.268 578 HD2 ARG 74 HD1 ARG 74 12.684 0.394 10.369 579 HD3 ARG 74 HD2 ARG 74 11.093 1.000 9.858 580 HE ARG 74 HE ARG 74 10.314 -1.006 10.585 581 HH11 ARG 74 HH12 ARG 74 13.426 -1.909 9.075 582 HH12 ARG 74 HH11 ARG 74 12.985 -3.595 9.117 583 HH21 ARG 74 HH22 ARG 74 9.935 -3.109 10.664 584 HH22 ARG 74 HH21 ARG 74 11.026 -4.227 9.885 585 H VAL 75 H VAL 75 10.222 1.576 4.704 586 HA VAL 75 HA VAL 75 9.605 4.489 4.723 587 HB VAL 75 HB VAL 75 9.800 2.818 2.160 588 HG11 VAL 75 HG11 VAL 75 9.046 4.905 0.994 589 HG12 VAL 75 HG12 VAL 75 7.800 4.246 2.050 590 HG13 VAL 75 HG13 VAL 75 8.743 5.660 2.574 591 HG21 VAL 75 HG21 VAL 75 12.002 3.714 2.776 592 HG22 VAL 75 HG22 VAL 75 11.375 4.630 1.403 593 HG23 VAL 75 HG23 VAL 75 11.311 5.333 3.032 594 H GLU 76 H GLU 76 7.321 4.690 5.033 595 HA GLU 76 HA GLU 76 5.876 2.069 4.975 596 HB2 GLU 76 HB1 GLU 76 5.188 4.274 6.850 597 HB3 GLU 76 HB2 GLU 76 4.883 2.532 6.959 598 HG2 GLU 76 HG1 GLU 76 7.385 2.239 7.354 599 HG3 GLU 76 HG2 GLU 76 7.505 4.011 7.470 600 H LEU 77 H LEU 77 4.072 1.922 3.901 601 HA LEU 77 HA LEU 77 3.112 4.174 2.327 602 HB2 LEU 77 HB1 LEU 77 2.395 1.229 2.504 603 HB3 LEU 77 HB2 LEU 77 1.615 2.419 1.429 604 HG LEU 77 HG LEU 77 4.175 2.792 0.671 605 HD11 LEU 77 HD11 LEU 77 4.025 -0.179 1.389 606 HD12 LEU 77 HD12 LEU 77 5.127 1.013 2.129 607 HD13 LEU 77 HD13 LEU 77 5.287 0.586 0.416 608 HD21 LEU 77 HD21 LEU 77 2.403 2.361 -0.889 609 HD22 LEU 77 HD22 LEU 77 2.183 0.705 -0.289 610 HD23 LEU 77 HD23 LEU 77 3.642 1.143 -1.200 611 H LYS 78 H LYS 78 2.694 5.189 4.579 612 HA LYS 78 HA LYS 78 0.373 4.405 6.034 613 HB2 LYS 78 HB1 LYS 78 0.584 6.719 7.041 614 HB3 LYS 78 HB2 LYS 78 1.971 5.618 7.165 615 HG2 LYS 78 HG1 LYS 78 2.807 6.976 5.021 616 HG3 LYS 78 HG2 LYS 78 1.652 8.202 5.566 617 HD2 LYS 78 HD1 LYS 78 3.810 8.714 6.605 618 HD3 LYS 78 HD2 LYS 78 2.783 8.029 7.881 619 HE2 LYS 78 HE1 LYS 78 3.920 5.757 6.863 620 HE3 LYS 78 HE2 LYS 78 5.223 6.885 6.516 621 HZ1 LYS 78 HZ1 LYS 78 5.410 7.297 8.884 622 HZ2 LYS 78 HZ2 LYS 78 5.339 5.667 8.721 623 HZ3 LYS 78 HZ3 LYS 78 4.030 6.457 9.216 624 HA PRO 79 HA PRO 79 -3.112 6.205 3.883 625 HB2 PRO 79 HB1 PRO 79 -4.700 7.030 5.961 626 HB3 PRO 79 HB2 PRO 79 -4.532 5.316 5.477 627 HG2 PRO 79 HG1 PRO 79 -3.043 6.774 7.674 628 HG3 PRO 79 HG2 PRO 79 -3.880 5.181 7.762 629 HD2 PRO 79 HD1 PRO 79 -1.195 5.345 7.373 630 HD3 PRO 79 HD2 PRO 79 -2.179 4.127 6.511 631 H GLY 80 H GLY 80 -3.905 8.273 3.354 632 HA2 GLY 80 HA3 GLY 80 -3.766 10.581 3.101 633 HA3 GLY 80 HA2 GLY 80 -2.737 10.673 4.550 634 H GLY 81 H GLY 81 -1.060 8.425 2.959 635 HA2 GLY 81 HA3 GLY 81 0.219 10.210 0.938 636 HA3 GLY 81 HA2 GLY 81 1.190 9.332 2.142 637 H TYR 82 H TYR 82 2.271 7.721 1.137 638 HA TYR 82 HA TYR 82 1.354 6.536 -1.357 639 HB2 TYR 82 HB1 TYR 82 3.638 5.867 0.507 640 HB3 TYR 82 HB2 TYR 82 3.300 4.976 -0.993 641 HD1 TYR 82 HD1 TYR 82 3.686 5.920 -3.161 642 HD2 TYR 82 HD2 TYR 82 4.500 8.207 0.399 643 HE1 TYR 82 HE1 TYR 82 4.889 7.606 -4.524 644 HE2 TYR 82 HE2 TYR 82 5.619 9.951 -0.987 645 HH TYR 82 HH TYR 82 5.470 9.841 -4.535 646 H HIS 83 H HIS 83 0.591 4.520 -1.770 647 HA HIS 83 HA HIS 83 0.051 2.500 0.228 648 HB2 HIS 83 HB1 HIS 83 -2.349 2.646 0.341 649 HB3 HIS 83 HB2 HIS 83 -1.577 4.087 1.033 650 HD1 HIS 83 HD1 HIS 83 -1.564 6.288 -0.663 651 HD2 HIS 83 HD2 HIS 83 -4.066 3.039 -1.629 652 HE1 HIS 83 HE1 HIS 83 -3.138 7.118 -2.499 653 H PHE 84 H PHE 84 -0.968 0.602 -0.662 654 HA PHE 84 HA PHE 84 -1.040 0.532 -3.639 655 HB2 PHE 84 HB1 PHE 84 -1.661 -1.569 -1.533 656 HB3 PHE 84 HB2 PHE 84 -1.764 -1.811 -3.287 657 HD1 PHE 84 HD1 PHE 84 0.264 -1.863 -4.682 658 HD2 PHE 84 HD2 PHE 84 0.503 -1.301 -0.415 659 HE1 PHE 84 HE1 PHE 84 2.652 -2.439 -4.740 660 HE2 PHE 84 HE2 PHE 84 2.928 -1.843 -0.489 661 HZ PHE 84 HZ PHE 84 3.978 -2.514 -2.587 662 H MET 85 H MET 85 -2.954 0.345 -4.711 663 HA MET 85 HA MET 85 -5.567 0.695 -3.271 664 HB2 MET 85 HB1 MET 85 -4.730 2.099 -5.423 665 HB3 MET 85 HB2 MET 85 -5.564 0.743 -6.214 666 HG2 MET 85 HG1 MET 85 -7.220 2.429 -5.842 667 HG3 MET 85 HG2 MET 85 -7.522 1.163 -4.646 668 HE1 MET 85 HE1 MET 85 -8.767 2.397 -2.574 669 HE2 MET 85 HE2 MET 85 -8.693 4.177 -2.557 670 HE3 MET 85 HE3 MET 85 -9.126 3.309 -4.051 671 H LEU 86 H LEU 86 -6.921 -1.052 -3.231 672 HA LEU 86 HA LEU 86 -6.188 -3.521 -4.771 673 HB2 LEU 86 HB1 LEU 86 -7.506 -3.103 -2.076 674 HB3 LEU 86 HB2 LEU 86 -7.691 -4.616 -3.013 675 HG LEU 86 HG LEU 86 -5.307 -5.054 -2.861 676 HD11 LEU 86 HD11 LEU 86 -4.319 -2.802 -2.665 677 HD12 LEU 86 HD12 LEU 86 -3.871 -3.786 -1.282 678 HD13 LEU 86 HD13 LEU 86 -5.147 -2.558 -1.113 679 HD21 LEU 86 HD21 LEU 86 -6.872 -5.899 -1.148 680 HD22 LEU 86 HD22 LEU 86 -6.666 -4.407 -0.207 681 HD23 LEU 86 HD23 LEU 86 -5.304 -5.533 -0.409 682 H LEU 87 H LEU 87 -7.681 -4.395 -6.058 683 HA LEU 87 HA LEU 87 -10.479 -3.370 -6.140 684 HB2 LEU 87 HB1 LEU 87 -8.275 -3.263 -8.205 685 HB3 LEU 87 HB2 LEU 87 -9.932 -3.495 -8.777 686 HG LEU 87 HG LEU 87 -9.215 -1.202 -6.914 687 HD11 LEU 87 HD11 LEU 87 -9.026 -1.195 -9.950 688 HD12 LEU 87 HD12 LEU 87 -7.680 -1.015 -8.796 689 HD13 LEU 87 HD13 LEU 87 -8.929 0.233 -8.890 690 HD21 LEU 87 HD21 LEU 87 -11.619 -1.804 -7.272 691 HD22 LEU 87 HD22 LEU 87 -11.396 -1.575 -9.015 692 HD23 LEU 87 HD23 LEU 87 -11.221 -0.195 -7.908 693 H GLY 88 H GLY 88 -11.998 -4.848 -6.777 694 HA2 GLY 88 HA3 GLY 88 -12.924 -6.861 -7.411 695 HA3 GLY 88 HA2 GLY 88 -11.381 -7.282 -8.189 696 H LEU 89 H LEU 89 -11.825 -6.520 -4.748 697 HA LEU 89 HA LEU 89 -10.316 -8.642 -3.816 698 HB2 LEU 89 HB1 LEU 89 -11.470 -8.225 -1.582 699 HB3 LEU 89 HB2 LEU 89 -10.432 -6.997 -2.330 700 HG LEU 89 HG LEU 89 -12.412 -5.699 -2.965 701 HD11 LEU 89 HD11 LEU 89 -13.961 -7.976 -1.658 702 HD12 LEU 89 HD12 LEU 89 -14.124 -7.348 -3.311 703 HD13 LEU 89 HD13 LEU 89 -14.655 -6.375 -1.943 704 HD21 LEU 89 HD21 LEU 89 -12.937 -4.911 -0.741 705 HD22 LEU 89 HD22 LEU 89 -11.249 -5.417 -0.760 706 HD23 LEU 89 HD23 LEU 89 -12.484 -6.462 -0.023 707 H LYS 90 H LYS 90 -10.528 -10.404 -2.739 708 HA LYS 90 HA LYS 90 -12.678 -12.167 -3.798 709 HB2 LYS 90 HB1 LYS 90 -10.132 -12.922 -2.373 710 HB3 LYS 90 HB2 LYS 90 -11.208 -13.993 -3.294 711 HG2 LYS 90 HG1 LYS 90 -9.513 -11.725 -4.409 712 HG3 LYS 90 HG2 LYS 90 -9.220 -13.482 -4.559 713 HD2 LYS 90 HD1 LYS 90 -11.331 -13.683 -5.872 714 HD3 LYS 90 HD2 LYS 90 -11.480 -11.910 -5.843 715 HE2 LYS 90 HE1 LYS 90 -9.435 -11.617 -7.045 716 HE3 LYS 90 HE2 LYS 90 -8.950 -13.307 -6.809 717 HZ1 LYS 90 HZ1 LYS 90 -10.817 -13.923 -8.304 718 HZ2 LYS 90 HZ2 LYS 90 -9.734 -12.919 -9.032 719 HZ3 LYS 90 HZ3 LYS 90 -11.104 -12.309 -8.590 720 H ARG 91 H ARG 91 -12.127 -10.523 -0.955 721 HA ARG 91 HA ARG 91 -14.332 -11.902 0.415 722 HB2 ARG 91 HB1 ARG 91 -11.754 -11.071 1.818 723 HB3 ARG 91 HB2 ARG 91 -13.229 -11.657 2.615 724 HG2 ARG 91 HG1 ARG 91 -12.883 -13.885 1.709 725 HG3 ARG 91 HG2 ARG 91 -11.487 -13.313 0.751 726 HD2 ARG 91 HD1 ARG 91 -10.531 -14.361 2.611 727 HD3 ARG 91 HD2 ARG 91 -10.380 -12.648 2.949 728 HE ARG 91 HE ARG 91 -12.089 -14.656 4.288 729 HH11 ARG 91 HH12 ARG 91 -11.242 -11.183 4.243 730 HH12 ARG 91 HH11 ARG 91 -11.947 -10.924 5.805 731 HH21 ARG 91 HH22 ARG 91 -12.752 -14.231 6.412 732 HH22 ARG 91 HH21 ARG 91 -12.744 -12.580 6.980 733 HA PRO 92 HA PRO 92 -14.898 -7.362 1.311 734 HB2 PRO 92 HB1 PRO 92 -16.870 -7.523 3.181 735 HB3 PRO 92 HB2 PRO 92 -17.200 -7.708 1.431 736 HG2 PRO 92 HG1 PRO 92 -16.808 -9.892 3.494 737 HG3 PRO 92 HG2 PRO 92 -18.100 -9.761 2.250 738 HD2 PRO 92 HD1 PRO 92 -15.843 -11.298 1.908 739 HD3 PRO 92 HD2 PRO 92 -16.638 -10.458 0.543 740 H LEU 93 H LEU 93 -14.280 -6.103 3.247 741 HA LEU 93 HA LEU 93 -12.367 -7.620 4.969 742 HB2 LEU 93 HB1 LEU 93 -12.147 -5.401 3.016 743 HB3 LEU 93 HB2 LEU 93 -11.413 -5.026 4.591 744 HG LEU 93 HG LEU 93 -10.017 -7.048 4.433 745 HD11 LEU 93 HD11 LEU 93 -9.831 -8.284 2.299 746 HD12 LEU 93 HD12 LEU 93 -11.211 -7.369 1.659 747 HD13 LEU 93 HD13 LEU 93 -11.427 -8.493 3.023 748 HD21 LEU 93 HD21 LEU 93 -8.508 -6.233 2.678 749 HD22 LEU 93 HD22 LEU 93 -9.199 -4.862 3.565 750 HD23 LEU 93 HD23 LEU 93 -9.820 -5.276 1.955 751 H LYS 94 H LYS 94 -13.045 -7.547 6.981 752 HA LYS 94 HA LYS 94 -14.817 -5.333 7.890 753 HB2 LYS 94 HB1 LYS 94 -13.935 -7.349 9.856 754 HB3 LYS 94 HB2 LYS 94 -15.478 -6.506 9.719 755 HG2 LYS 94 HG1 LYS 94 -14.509 -8.996 8.357 756 HG3 LYS 94 HG2 LYS 94 -15.909 -8.793 9.417 757 HD2 LYS 94 HD1 LYS 94 -17.203 -7.842 7.681 758 HD3 LYS 94 HD2 LYS 94 -15.801 -7.495 6.664 759 HE2 LYS 94 HE1 LYS 94 -16.822 -10.269 7.420 760 HE3 LYS 94 HE2 LYS 94 -17.054 -9.474 5.851 761 HZ1 LYS 94 HZ1 LYS 94 -15.180 -11.046 5.819 762 HZ2 LYS 94 HZ2 LYS 94 -14.417 -10.267 7.021 763 HZ3 LYS 94 HZ3 LYS 94 -14.588 -9.526 5.598 764 H ALA 95 H ALA 95 -14.427 -4.558 10.177 765 HA ALA 95 HA ALA 95 -11.747 -3.562 10.802 766 HB1 ALA 95 HB1 ALA 95 -13.763 -2.327 11.531 767 HB2 ALA 95 HB2 ALA 95 -14.353 -3.776 12.394 768 HB3 ALA 95 HB3 ALA 95 -12.875 -2.956 12.922 769 H GLY 96 H GLY 96 -10.420 -4.565 12.136 770 HA2 GLY 96 HA3 GLY 96 -9.352 -6.158 13.404 771 HA3 GLY 96 HA2 GLY 96 -10.972 -6.754 13.829 772 H GLU 97 H GLU 97 -9.900 -6.952 10.468 773 HA GLU 97 HA GLU 97 -9.541 -9.921 10.777 774 HB2 GLU 97 HB1 GLU 97 -10.114 -8.274 8.298 775 HB3 GLU 97 HB2 GLU 97 -9.676 -10.005 8.274 776 HG2 GLU 97 HG1 GLU 97 -11.596 -10.451 9.800 777 HG3 GLU 97 HG2 GLU 97 -12.136 -8.795 9.549 778 H GLU 98 H GLU 98 -7.904 -10.454 8.588 779 HA GLU 98 HA GLU 98 -5.387 -9.161 8.828 780 HB2 GLU 98 HB1 GLU 98 -4.230 -11.217 9.636 781 HB3 GLU 98 HB2 GLU 98 -5.207 -10.395 10.872 782 HG2 GLU 98 HG1 GLU 98 -6.986 -12.080 10.577 783 HG3 GLU 98 HG2 GLU 98 -6.031 -12.888 9.322 784 H VAL 99 H VAL 99 -4.262 -9.574 7.145 785 HA VAL 99 HA VAL 99 -5.254 -11.331 4.926 786 HB VAL 99 HB VAL 99 -5.258 -8.298 5.117 787 HG11 VAL 99 HG11 VAL 99 -5.658 -8.182 2.651 788 HG12 VAL 99 HG12 VAL 99 -4.010 -8.611 3.081 789 HG13 VAL 99 HG13 VAL 99 -5.128 -9.881 2.528 790 HG21 VAL 99 HG21 VAL 99 -7.504 -8.548 4.098 791 HG22 VAL 99 HG22 VAL 99 -7.285 -10.310 4.025 792 HG23 VAL 99 HG23 VAL 99 -7.386 -9.475 5.588 793 H GLU 100 H GLU 100 -3.695 -12.043 3.563 794 HA GLU 100 HA GLU 100 -0.890 -11.384 4.078 795 HB2 GLU 100 HB1 GLU 100 -1.957 -12.825 1.661 796 HB3 GLU 100 HB2 GLU 100 -0.315 -12.871 2.319 797 HG2 GLU 100 HG1 GLU 100 -1.192 -14.221 4.235 798 HG3 GLU 100 HG2 GLU 100 -2.790 -14.226 3.458 799 H LEU 101 H LEU 101 0.505 -10.286 2.735 800 HA LEU 101 HA LEU 101 -0.416 -9.347 0.091 801 HB2 LEU 101 HB1 LEU 101 0.516 -7.613 2.277 802 HB3 LEU 101 HB2 LEU 101 1.564 -7.516 0.831 803 HG LEU 101 HG LEU 101 -0.561 -7.063 -0.512 804 HD11 LEU 101 HD11 LEU 101 -2.291 -7.694 1.145 805 HD12 LEU 101 HD12 LEU 101 -2.438 -5.995 0.709 806 HD13 LEU 101 HD13 LEU 101 -1.699 -6.455 2.258 807 HD21 LEU 101 HD21 LEU 101 -0.508 -4.679 0.023 808 HD22 LEU 101 HD22 LEU 101 1.127 -5.354 0.049 809 HD23 LEU 101 HD23 LEU 101 0.273 -5.037 1.579 810 H ASP 102 H ASP 102 1.243 -9.478 -1.483 811 HA ASP 102 HA ASP 102 3.911 -10.473 -0.624 812 HB2 ASP 102 HB1 ASP 102 2.559 -10.646 -3.331 813 HB3 ASP 102 HB2 ASP 102 4.240 -11.066 -2.968 814 H LEU 103 H LEU 103 5.650 -9.227 -1.447 815 HA LEU 103 HA LEU 103 4.996 -6.636 -2.804 816 HB2 LEU 103 HB1 LEU 103 7.282 -7.465 -0.979 817 HB3 LEU 103 HB2 LEU 103 7.242 -5.961 -1.928 818 HG LEU 103 HG LEU 103 4.904 -5.654 -0.635 819 HD11 LEU 103 HD11 LEU 103 5.152 -6.426 1.730 820 HD12 LEU 103 HD12 LEU 103 6.589 -7.356 1.268 821 HD13 LEU 103 HD13 LEU 103 4.994 -7.789 0.619 822 HD21 LEU 103 HD21 LEU 103 6.779 -4.072 -0.556 823 HD22 LEU 103 HD22 LEU 103 7.625 -5.111 0.619 824 HD23 LEU 103 HD23 LEU 103 6.102 -4.311 1.059 825 H LEU 104 H LEU 104 5.814 -6.289 -4.767 826 HA LEU 104 HA LEU 104 7.507 -8.394 -6.052 827 HB2 LEU 104 HB1 LEU 104 5.648 -6.258 -7.160 828 HB3 LEU 104 HB2 LEU 104 6.570 -7.349 -8.172 829 HG LEU 104 HG LEU 104 4.280 -8.013 -6.280 830 HD11 LEU 104 HD11 LEU 104 3.164 -8.804 -8.331 831 HD12 LEU 104 HD12 LEU 104 4.583 -8.342 -9.293 832 HD13 LEU 104 HD13 LEU 104 3.618 -7.102 -8.466 833 HD21 LEU 104 HD21 LEU 104 6.025 -9.967 -7.848 834 HD22 LEU 104 HD22 LEU 104 4.488 -10.385 -7.056 835 HD23 LEU 104 HD23 LEU 104 5.864 -9.868 -6.081 836 H PHE 105 H PHE 105 9.569 -7.945 -6.065 837 HA PHE 105 HA PHE 105 10.570 -5.142 -6.064 838 HB2 PHE 105 HB1 PHE 105 11.660 -7.807 -5.149 839 HB3 PHE 105 HB2 PHE 105 12.673 -6.367 -5.285 840 HD1 PHE 105 HD2 PHE 105 11.645 -4.192 -4.090 841 HD2 PHE 105 HD1 PHE 105 10.583 -8.257 -3.116 842 HE1 PHE 105 HE2 PHE 105 10.845 -3.448 -1.869 843 HE2 PHE 105 HE1 PHE 105 9.808 -7.502 -0.881 844 HZ PHE 105 HZ PHE 105 9.947 -5.119 -0.249 845 H ALA 106 H ALA 106 11.177 -4.400 -7.979 846 HA ALA 106 HA ALA 106 11.758 -4.269 -10.190 847 HB1 ALA 106 HB1 ALA 106 14.064 -4.977 -10.595 848 HB2 ALA 106 HB2 ALA 106 13.910 -4.310 -8.955 849 HB3 ALA 106 HB3 ALA 106 14.008 -6.071 -9.201 850 H GLY 107 H GLY 107 9.776 -6.273 -9.783 851 HA2 GLY 107 HA3 GLY 107 8.629 -7.836 -11.023 852 HA3 GLY 107 HA2 GLY 107 9.962 -7.875 -12.201 853 H GLY 108 H GLY 108 12.012 -8.898 -11.323 854 HA2 GLY 108 HA3 GLY 108 11.277 -11.635 -11.070 855 HA3 GLY 108 HA2 GLY 108 12.925 -10.989 -11.235 856 H LYS 109 H LYS 109 11.445 -9.779 -8.377 857 HA LYS 109 HA LYS 109 12.185 -12.148 -6.726 858 HB2 LYS 109 HB1 LYS 109 13.046 -9.262 -6.326 859 HB3 LYS 109 HB2 LYS 109 12.959 -10.401 -4.963 860 HG2 LYS 109 HG1 LYS 109 14.638 -11.783 -5.837 861 HG3 LYS 109 HG2 LYS 109 14.448 -11.121 -7.472 862 HD2 LYS 109 HD1 LYS 109 15.284 -8.883 -6.417 863 HD3 LYS 109 HD2 LYS 109 15.838 -9.911 -5.072 864 HE2 LYS 109 HE1 LYS 109 17.691 -9.673 -6.614 865 HE3 LYS 109 HE2 LYS 109 17.059 -11.328 -6.778 866 HZ1 LYS 109 HZ1 LYS 109 16.453 -9.046 -8.581 867 HZ2 LYS 109 HZ2 LYS 109 15.850 -10.563 -8.742 868 HZ3 LYS 109 HZ3 LYS 109 17.461 -10.293 -8.935 869 H VAL 110 H VAL 110 10.649 -12.652 -5.272 870 HA VAL 110 HA VAL 110 8.529 -10.687 -4.637 871 HB VAL 110 HB VAL 110 7.677 -12.310 -6.241 872 HG11 VAL 110 HG11 VAL 110 8.252 -14.498 -4.203 873 HG12 VAL 110 HG12 VAL 110 7.396 -14.681 -5.743 874 HG13 VAL 110 HG13 VAL 110 9.114 -14.257 -5.739 875 HG21 VAL 110 HG21 VAL 110 6.171 -11.398 -4.428 876 HG22 VAL 110 HG22 VAL 110 5.644 -12.945 -5.119 877 HG23 VAL 110 HG23 VAL 110 6.425 -12.904 -3.526 878 H LEU 111 H LEU 111 7.739 -10.663 -2.556 879 HA LEU 111 HA LEU 111 8.863 -12.539 -0.526 880 HB2 LEU 111 HB1 LEU 111 10.313 -10.570 -0.547 881 HB3 LEU 111 HB2 LEU 111 8.889 -9.497 -0.489 882 HG LEU 111 HG LEU 111 8.377 -10.302 1.796 883 HD11 LEU 111 HD11 LEU 111 9.348 -12.568 1.723 884 HD12 LEU 111 HD12 LEU 111 10.072 -11.637 3.034 885 HD13 LEU 111 HD13 LEU 111 10.978 -11.883 1.527 886 HD21 LEU 111 HD21 LEU 111 9.758 -8.296 1.474 887 HD22 LEU 111 HD22 LEU 111 11.230 -9.293 1.427 888 HD23 LEU 111 HD23 LEU 111 10.267 -9.183 2.917 889 H LYS 112 H LYS 112 7.229 -13.295 0.757 890 HA LYS 112 HA LYS 112 4.585 -11.980 0.686 891 HB2 LYS 112 HB1 LYS 112 4.644 -14.373 0.445 892 HB3 LYS 112 HB2 LYS 112 5.530 -14.564 1.971 893 HG2 LYS 112 HG1 LYS 112 3.682 -13.925 3.273 894 HG3 LYS 112 HG2 LYS 112 2.846 -13.137 1.920 895 HD2 LYS 112 HD1 LYS 112 3.311 -16.132 1.979 896 HD3 LYS 112 HD2 LYS 112 1.907 -15.334 2.754 897 HE2 LYS 112 HE1 LYS 112 1.457 -14.211 0.527 898 HE3 LYS 112 HE2 LYS 112 2.683 -15.236 -0.207 899 HZ1 LYS 112 HZ1 LYS 112 1.297 -17.161 0.449 900 HZ2 LYS 112 HZ2 LYS 112 0.301 -16.049 -0.322 901 HZ3 LYS 112 HZ3 LYS 112 0.279 -16.185 1.263 902 H VAL 113 H VAL 113 3.622 -10.949 2.321 903 HA VAL 113 HA VAL 113 4.754 -10.938 5.063 904 HB VAL 113 HB VAL 113 4.179 -8.592 5.380 905 HG11 VAL 113 HG11 VAL 113 6.488 -9.146 4.767 906 HG12 VAL 113 HG12 VAL 113 6.105 -8.922 3.049 907 HG13 VAL 113 HG13 VAL 113 6.021 -7.546 4.166 908 HG21 VAL 113 HG21 VAL 113 3.645 -7.076 3.558 909 HG22 VAL 113 HG22 VAL 113 3.606 -8.418 2.400 910 HG23 VAL 113 HG23 VAL 113 2.402 -8.316 3.699 911 H VAL 114 H VAL 114 2.925 -9.748 6.481 912 HA VAL 114 HA VAL 114 0.193 -10.360 5.604 913 HB VAL 114 HB VAL 114 1.285 -11.357 8.281 914 HG11 VAL 114 HG11 VAL 114 -1.057 -10.684 8.552 915 HG12 VAL 114 HG12 VAL 114 -1.517 -11.566 7.073 916 HG13 VAL 114 HG13 VAL 114 -0.974 -12.438 8.519 917 HG21 VAL 114 HG21 VAL 114 2.007 -12.890 6.507 918 HG22 VAL 114 HG22 VAL 114 0.724 -13.642 7.448 919 HG23 VAL 114 HG23 VAL 114 0.354 -12.956 5.853 920 H LEU 115 H LEU 115 -1.331 -9.055 6.799 921 HA LEU 115 HA LEU 115 -0.417 -7.296 8.906 922 HB2 LEU 115 HB1 LEU 115 -1.318 -5.233 7.777 923 HB3 LEU 115 HB2 LEU 115 0.330 -5.752 7.448 924 HG LEU 115 HG LEU 115 -1.939 -6.410 5.533 925 HD11 LEU 115 HD11 LEU 115 -0.415 -3.786 5.840 926 HD12 LEU 115 HD12 LEU 115 -2.160 -4.053 5.923 927 HD13 LEU 115 HD13 LEU 115 -1.330 -4.232 4.375 928 HD21 LEU 115 HD21 LEU 115 1.084 -6.041 5.298 929 HD22 LEU 115 HD22 LEU 115 0.012 -6.062 3.885 930 HD23 LEU 115 HD23 LEU 115 0.129 -7.487 4.917 931 HA PRO 116 HA PRO 116 -4.763 -7.669 9.986 932 HB2 PRO 116 HB1 PRO 116 -5.179 -5.374 11.444 933 HB3 PRO 116 HB2 PRO 116 -4.330 -6.830 12.049 934 HG2 PRO 116 HG1 PRO 116 -3.107 -4.329 10.849 935 HG3 PRO 116 HG2 PRO 116 -2.637 -5.169 12.370 936 HD2 PRO 116 HD1 PRO 116 -1.276 -5.614 10.083 937 HD3 PRO 116 HD2 PRO 116 -1.673 -6.978 11.168 938 H VAL 117 H VAL 117 -6.868 -6.587 9.713 939 HA VAL 117 HA VAL 117 -6.915 -4.464 7.584 940 HB VAL 117 HB VAL 117 -9.141 -6.346 8.415 941 HG11 VAL 117 HG11 VAL 117 -10.308 -5.638 6.449 942 HG12 VAL 117 HG12 VAL 117 -9.832 -4.165 7.296 943 HG13 VAL 117 HG13 VAL 117 -8.927 -4.692 5.866 944 HG21 VAL 117 HG21 VAL 117 -7.326 -6.575 5.972 945 HG22 VAL 117 HG22 VAL 117 -7.352 -7.687 7.351 946 HG23 VAL 117 HG23 VAL 117 -8.761 -7.570 6.302 947 H GLU 118 H GLU 118 -7.706 -2.507 8.192 948 HA GLU 118 HA GLU 118 -9.674 -2.143 10.225 949 HB2 GLU 118 HB1 GLU 118 -6.803 -1.677 10.838 950 HB3 GLU 118 HB2 GLU 118 -7.826 -0.282 11.218 951 HG2 GLU 118 HG1 GLU 118 -8.058 -3.092 12.298 952 HG3 GLU 118 HG2 GLU 118 -7.697 -1.606 13.190 953 H ALA 119 H ALA 119 -9.891 0.369 10.659 954 HA ALA 119 HA ALA 119 -10.975 1.204 8.182 955 HB1 ALA 119 HB1 ALA 119 -11.936 1.594 10.459 956 HB2 ALA 119 HB2 ALA 119 -10.646 2.764 10.779 957 HB3 ALA 119 HB3 ALA 119 -11.842 3.101 9.516 958 H ARG 120 H ARG 120 -10.931 3.405 7.268 959 HA ARG 120 HA ARG 120 -8.220 4.295 6.545 960 HB2 ARG 120 HB1 ARG 120 -10.052 4.083 4.838 961 HB3 ARG 120 HB2 ARG 120 -11.006 5.279 5.710 962 HG2 ARG 120 HG1 ARG 120 -8.245 6.132 5.021 963 HG3 ARG 120 HG2 ARG 120 -9.302 5.765 3.631 964 HD2 ARG 120 HD1 ARG 120 -9.313 8.164 4.128 965 HD3 ARG 120 HD2 ARG 120 -10.914 7.441 4.377 966 HE ARG 120 HE ARG 120 -9.197 7.582 6.756 967 HH11 ARG 120 HH12 ARG 120 -11.489 9.609 5.148 968 HH12 ARG 120 HH11 ARG 120 -12.324 9.981 6.641 969 HH21 ARG 120 HH22 ARG 120 -10.462 7.753 8.450 970 HH22 ARG 120 HH21 ARG 120 -11.671 9.002 8.566 Start of MODEL 26 1 H1 GLY 1 1H GLY 1 7.121 -1.622 17.294 2 H2 GLY 1 2H GLY 1 6.015 -2.840 17.477 3 H3 GLY 1 3H GLY 1 5.878 -1.441 18.354 4 HA2 GLY 1 HA3 GLY 1 5.661 -1.620 15.442 5 HA3 GLY 1 HA2 GLY 1 4.286 -1.522 16.567 6 H SER 2 H SER 2 4.771 0.243 14.556 7 HA SER 2 HA SER 2 3.962 2.631 15.003 8 HB2 SER 2 HB1 SER 2 6.861 2.921 15.808 9 HB3 SER 2 HB2 SER 2 5.798 4.269 15.310 10 HG SER 2 HG SER 2 5.440 2.510 17.500 11 H PHE 3 H PHE 3 6.798 1.128 13.507 12 HA PHE 3 HA PHE 3 6.147 2.250 10.879 13 HB2 PHE 3 HB1 PHE 3 8.766 2.878 12.286 14 HB3 PHE 3 HB2 PHE 3 8.421 3.170 10.563 15 HD1 PHE 3 HD2 PHE 3 6.784 4.866 9.855 16 HD2 PHE 3 HD1 PHE 3 8.016 4.445 13.961 17 HE1 PHE 3 HE2 PHE 3 5.962 7.159 10.340 18 HE2 PHE 3 HE1 PHE 3 7.192 6.743 14.447 19 HZ PHE 3 HZ PHE 3 6.169 8.104 12.635 20 H THR 4 H THR 4 6.027 -0.397 11.751 21 HA THR 4 HA THR 4 7.880 -1.833 9.986 22 HB THR 4 HB THR 4 9.267 -1.419 11.890 23 HG1 THR 4 HG1 THR 4 8.297 -4.010 11.494 24 HG21 THR 4 HG21 THR 4 7.219 -2.949 13.553 25 HG22 THR 4 HG22 THR 4 7.653 -1.236 13.731 26 HG23 THR 4 HG23 THR 4 8.859 -2.492 14.072 27 H GLU 5 H GLU 5 5.086 -1.494 10.127 28 HA GLU 5 HA GLU 5 4.079 -4.276 10.148 29 HB2 GLU 5 HB1 GLU 5 2.209 -3.604 11.657 30 HB3 GLU 5 HB2 GLU 5 3.791 -3.604 12.458 31 HG2 GLU 5 HG1 GLU 5 3.206 -0.997 11.255 32 HG3 GLU 5 HG2 GLU 5 1.910 -1.488 12.339 33 H GLY 6 H GLY 6 1.553 -4.151 9.680 34 HA2 GLY 6 HA3 GLY 6 0.693 -1.856 8.110 35 HA3 GLY 6 HA2 GLY 6 0.829 -3.379 7.203 36 H TRP 7 H TRP 7 -1.518 -2.057 7.357 37 HA TRP 7 HA TRP 7 -3.335 -4.037 8.396 38 HB2 TRP 7 HB1 TRP 7 -4.673 -2.672 9.788 39 HB3 TRP 7 HB2 TRP 7 -3.023 -2.591 10.403 40 HD1 TRP 7 HD TRP 7 -5.849 -0.490 9.178 41 HE1 TRP 7 HE1 TRP 7 -5.260 1.992 9.347 42 HE3 TRP 7 3HE TRP 7 -0.824 -0.904 10.050 43 HZ2 TRP 7 HZ2 TRP 7 -2.879 3.612 9.670 44 HZ3 TRP 7 HZ3 TRP 7 0.591 1.120 10.258 45 HH2 TRP 7 HH TRP 7 -0.419 3.374 10.105 46 H VAL 8 H VAL 8 -5.423 -3.856 7.411 47 HA VAL 8 HA VAL 8 -5.383 -2.210 4.908 48 HB VAL 8 HB VAL 8 -7.254 -4.448 5.633 49 HG11 VAL 8 HG11 VAL 8 -6.658 -3.084 2.986 50 HG12 VAL 8 HG12 VAL 8 -7.582 -4.578 3.153 51 HG13 VAL 8 HG13 VAL 8 -8.203 -3.090 3.868 52 HG21 VAL 8 HG21 VAL 8 -5.896 -5.875 4.098 53 HG22 VAL 8 HG22 VAL 8 -4.688 -4.579 4.003 54 HG23 VAL 8 HG23 VAL 8 -5.010 -5.408 5.547 55 H ARG 9 H ARG 9 -7.072 -0.803 4.331 56 HA ARG 9 HA ARG 9 -8.124 0.724 6.473 57 HB2 ARG 9 HB1 ARG 9 -7.373 1.537 4.273 58 HB3 ARG 9 HB2 ARG 9 -8.754 0.776 3.481 59 HG2 ARG 9 HG1 ARG 9 -9.243 2.795 5.657 60 HG3 ARG 9 HG2 ARG 9 -8.715 3.357 4.048 61 HD2 ARG 9 HD1 ARG 9 -10.740 3.035 3.139 62 HD3 ARG 9 HD2 ARG 9 -10.921 1.436 3.880 63 HE ARG 9 HE ARG 9 -11.224 3.488 5.877 64 HH11 ARG 9 HH12 ARG 9 -13.086 1.405 3.761 65 HH12 ARG 9 HH11 ARG 9 -14.581 1.948 4.460 66 HH21 ARG 9 HH22 ARG 9 -12.950 3.862 6.836 67 HH22 ARG 9 HH21 ARG 9 -14.523 3.288 6.286 68 H PHE 10 H PHE 10 -9.544 -2.086 5.181 69 HA PHE 10 HA PHE 10 -11.487 -3.094 5.283 70 HB2 PHE 10 HB1 PHE 10 -12.434 -2.917 7.212 71 HB3 PHE 10 HB2 PHE 10 -11.622 -1.416 7.552 72 HD1 PHE 10 HD2 PHE 10 -14.714 -2.945 6.184 73 HD2 PHE 10 HD1 PHE 10 -12.897 0.673 7.639 74 HE1 PHE 10 HE2 PHE 10 -16.926 -1.879 6.258 75 HE2 PHE 10 HE1 PHE 10 -15.138 1.710 7.832 76 HZ PHE 10 HZ PHE 10 -17.162 0.461 7.105 77 H SER 11 H SER 11 -13.277 -3.416 4.175 78 HA SER 11 HA SER 11 -15.196 -1.552 3.401 79 HB2 SER 11 HB1 SER 11 -13.653 -0.715 1.699 80 HB3 SER 11 HB2 SER 11 -13.326 -2.386 1.150 81 HG SER 11 HG SER 11 -14.754 -1.650 -0.235 82 HA PRO 12 HA PRO 12 -16.909 -5.716 2.689 83 HB2 PRO 12 HB1 PRO 12 -19.538 -5.161 2.683 84 HB3 PRO 12 HB2 PRO 12 -18.577 -4.946 4.178 85 HG2 PRO 12 HG1 PRO 12 -19.368 -2.830 2.151 86 HG3 PRO 12 HG2 PRO 12 -19.528 -2.760 3.943 87 HD2 PRO 12 HD1 PRO 12 -17.392 -1.683 2.520 88 HD3 PRO 12 HD2 PRO 12 -17.265 -2.265 4.199 89 H GLY 13 H GLY 13 -16.880 -3.013 0.576 90 HA2 GLY 13 HA3 GLY 13 -18.334 -4.347 -1.635 91 HA3 GLY 13 HA2 GLY 13 -17.785 -2.656 -1.586 92 HA PRO 14 HA PRO 14 -14.988 -5.790 -3.874 93 HB2 PRO 14 HB1 PRO 14 -15.123 -4.737 -6.427 94 HB3 PRO 14 HB2 PRO 14 -16.256 -5.948 -5.774 95 HG2 PRO 14 HG1 PRO 14 -16.601 -2.942 -5.902 96 HG3 PRO 14 HG2 PRO 14 -17.783 -4.217 -6.373 97 HD2 PRO 14 HD1 PRO 14 -17.933 -2.988 -3.959 98 HD3 PRO 14 HD2 PRO 14 -18.232 -4.743 -4.104 99 H ASN 15 H ASN 15 -14.936 -2.282 -3.710 100 HA ASN 15 HA ASN 15 -12.082 -2.190 -4.357 101 HB2 ASN 15 HB1 ASN 15 -13.907 0.067 -3.460 102 HB3 ASN 15 HB2 ASN 15 -12.426 0.169 -4.413 103 HD21 ASN 15 HD21 ASN 15 -12.525 -0.431 -6.707 104 HD22 ASN 15 HD22 ASN 15 -14.094 -0.414 -7.502 105 H ALA 16 H ALA 16 -10.534 -1.756 -2.905 106 HA ALA 16 HA ALA 16 -11.051 -0.629 -0.254 107 HB1 ALA 16 HB1 ALA 16 -9.675 -3.343 -0.454 108 HB2 ALA 16 HB2 ALA 16 -9.989 -2.414 1.022 109 HB3 ALA 16 HB3 ALA 16 -11.335 -3.087 0.099 110 H ALA 17 H ALA 17 -8.700 -0.732 0.945 111 HA ALA 17 HA ALA 17 -6.455 -0.019 -0.806 112 HB1 ALA 17 HB1 ALA 17 -6.249 2.245 0.116 113 HB2 ALA 17 HB2 ALA 17 -7.813 2.075 -0.707 114 HB3 ALA 17 HB3 ALA 17 -7.729 2.030 1.070 115 H ALA 18 H ALA 18 -4.446 -0.089 0.430 116 HA ALA 18 HA ALA 18 -4.659 -0.938 3.293 117 HB1 ALA 18 HB1 ALA 18 -3.207 -2.850 2.810 118 HB2 ALA 18 HB2 ALA 18 -4.668 -2.945 1.811 119 HB3 ALA 18 HB3 ALA 18 -3.134 -2.401 1.097 120 H TYR 19 H TYR 19 -2.909 -0.695 4.599 121 HA TYR 19 HA TYR 19 -0.583 0.922 3.623 122 HB2 TYR 19 HB1 TYR 19 -1.629 0.788 6.460 123 HB3 TYR 19 HB2 TYR 19 -0.556 1.994 5.754 124 HD1 TYR 19 HD2 TYR 19 -1.622 3.424 3.774 125 HD2 TYR 19 HD1 TYR 19 -3.896 1.206 6.684 126 HE1 TYR 19 HE2 TYR 19 -3.655 4.774 3.226 127 HE2 TYR 19 HE1 TYR 19 -5.915 2.543 6.161 128 HH TYR 19 HH TYR 19 -6.800 4.140 4.800 129 H LEU 20 H LEU 20 1.475 0.211 4.305 130 HA LEU 20 HA LEU 20 1.941 -1.695 6.294 131 HB2 LEU 20 HB1 LEU 20 2.660 -3.666 5.151 132 HB3 LEU 20 HB2 LEU 20 0.937 -3.399 4.900 133 HG LEU 20 HG LEU 20 1.892 -4.378 2.994 134 HD11 LEU 20 HD11 LEU 20 1.175 -2.960 1.236 135 HD12 LEU 20 HD12 LEU 20 1.386 -1.493 2.208 136 HD13 LEU 20 HD13 LEU 20 0.113 -2.667 2.624 137 HD21 LEU 20 HD21 LEU 20 3.622 -3.454 1.596 138 HD22 LEU 20 HD22 LEU 20 4.245 -3.671 3.246 139 HD23 LEU 20 HD23 LEU 20 3.812 -2.054 2.652 140 H THR 21 H THR 21 4.094 -2.474 6.506 141 HA THR 21 HA THR 21 6.098 -0.628 5.340 142 HB THR 21 HB THR 21 5.766 -1.269 8.309 143 HG1 THR 21 HG1 THR 21 4.151 -0.021 7.858 144 HG21 THR 21 HG21 THR 21 8.041 -0.659 7.981 145 HG22 THR 21 HG22 THR 21 7.269 0.903 8.315 146 HG23 THR 21 HG23 THR 21 7.666 0.451 6.653 147 H LEU 22 H LEU 22 8.188 -1.355 5.283 148 HA LEU 22 HA LEU 22 8.934 -4.026 6.268 149 HB2 LEU 22 HB1 LEU 22 7.699 -3.952 3.838 150 HB3 LEU 22 HB2 LEU 22 9.361 -3.674 3.311 151 HG LEU 22 HG LEU 22 8.868 -5.990 3.097 152 HD11 LEU 22 HD11 LEU 22 10.514 -7.106 4.487 153 HD12 LEU 22 HD12 LEU 22 10.543 -5.760 5.629 154 HD13 LEU 22 HD13 LEU 22 11.130 -5.534 3.960 155 HD21 LEU 22 HD21 LEU 22 8.028 -6.062 6.024 156 HD22 LEU 22 HD22 LEU 22 8.053 -7.422 4.884 157 HD23 LEU 22 HD23 LEU 22 6.940 -6.067 4.619 158 H GLU 23 H GLU 23 11.182 -4.097 6.606 159 HA GLU 23 HA GLU 23 12.713 -1.655 5.852 160 HB2 GLU 23 HB1 GLU 23 13.349 -3.779 7.895 161 HB3 GLU 23 HB2 GLU 23 14.399 -2.407 7.471 162 HG2 GLU 23 HG1 GLU 23 11.870 -1.280 8.039 163 HG3 GLU 23 HG2 GLU 23 12.137 -2.508 9.297 164 H ASN 24 H ASN 24 14.803 -1.732 4.962 165 HA ASN 24 HA ASN 24 15.392 -4.187 3.371 166 HB2 ASN 24 HB1 ASN 24 15.003 -2.011 2.136 167 HB3 ASN 24 HB2 ASN 24 16.464 -1.373 2.907 168 HD21 ASN 24 HD21 ASN 24 17.238 -1.159 0.626 169 HD22 ASN 24 HD22 ASN 24 18.023 -2.588 -0.069 170 HA PRO 25 HA PRO 25 18.692 -4.015 6.612 171 HB2 PRO 25 HB1 PRO 25 18.857 -6.686 7.173 172 HB3 PRO 25 HB2 PRO 25 17.582 -5.645 7.874 173 HG2 PRO 25 HG1 PRO 25 17.385 -7.381 5.387 174 HG3 PRO 25 HG2 PRO 25 16.274 -7.366 6.802 175 HD2 PRO 25 HD1 PRO 25 15.714 -5.930 4.568 176 HD3 PRO 25 HD2 PRO 25 15.404 -5.252 6.196 177 H GLY 26 H GLY 26 18.469 -5.123 3.390 178 HA2 GLY 26 HA3 GLY 26 21.087 -6.391 3.253 179 HA3 GLY 26 HA2 GLY 26 19.940 -6.091 1.927 180 H ASP 27 H ASP 27 22.511 -5.695 1.616 181 HA ASP 27 HA ASP 27 23.358 -2.925 1.924 182 HB2 ASP 27 HB1 ASP 27 24.589 -5.563 1.040 183 HB3 ASP 27 HB2 ASP 27 25.468 -4.035 1.144 184 H LEU 28 H LEU 28 21.606 -4.483 -0.305 185 HA LEU 28 HA LEU 28 22.372 -2.680 -2.542 186 HB2 LEU 28 HB1 LEU 28 21.226 -5.499 -2.656 187 HB3 LEU 28 HB2 LEU 28 21.407 -4.466 -4.072 188 HG LEU 28 HG LEU 28 23.701 -5.508 -2.352 189 HD11 LEU 28 HD11 LEU 28 22.728 -6.343 -5.120 190 HD12 LEU 28 HD12 LEU 28 22.552 -7.283 -3.620 191 HD13 LEU 28 HD13 LEU 28 24.163 -6.967 -4.278 192 HD21 LEU 28 HD21 LEU 28 24.310 -3.367 -3.415 193 HD22 LEU 28 HD22 LEU 28 23.712 -3.952 -4.984 194 HD23 LEU 28 HD23 LEU 28 25.133 -4.702 -4.226 195 HA PRO 29 HA PRO 29 18.540 -0.959 -1.870 196 HB2 PRO 29 HB1 PRO 29 17.761 0.119 -4.237 197 HB3 PRO 29 HB2 PRO 29 19.273 0.598 -3.408 198 HG2 PRO 29 HG1 PRO 29 18.927 -1.289 -5.726 199 HG3 PRO 29 HG2 PRO 29 20.209 -0.055 -5.467 200 HD2 PRO 29 HD1 PRO 29 20.427 -2.798 -4.924 201 HD3 PRO 29 HD2 PRO 29 21.456 -1.580 -4.167 202 H LEU 30 H LEU 30 16.225 -0.660 -2.457 203 HA LEU 30 HA LEU 30 14.965 -2.983 -3.786 204 HB2 LEU 30 HB1 LEU 30 14.026 -1.470 -1.323 205 HB3 LEU 30 HB2 LEU 30 12.908 -2.423 -2.313 206 HG LEU 30 HG LEU 30 15.402 -3.503 -1.052 207 HD11 LEU 30 HD11 LEU 30 13.630 -2.678 0.617 208 HD12 LEU 30 HD12 LEU 30 13.991 -4.410 0.750 209 HD13 LEU 30 HD13 LEU 30 12.519 -3.860 -0.078 210 HD21 LEU 30 HD21 LEU 30 13.057 -4.983 -2.247 211 HD22 LEU 30 HD22 LEU 30 14.371 -5.726 -1.333 212 HD23 LEU 30 HD23 LEU 30 14.717 -4.927 -2.879 213 H ARG 31 H ARG 31 13.347 -2.632 -4.894 214 HA ARG 31 HA ARG 31 12.173 0.029 -5.329 215 HB2 ARG 31 HB1 ARG 31 13.905 -0.198 -7.162 216 HB3 ARG 31 HB2 ARG 31 12.971 -1.588 -7.773 217 HG2 ARG 31 HG1 ARG 31 11.019 -0.198 -8.125 218 HG3 ARG 31 HG2 ARG 31 11.773 1.186 -7.310 219 HD2 ARG 31 HD1 ARG 31 12.879 -0.022 -9.860 220 HD3 ARG 31 HD2 ARG 31 11.664 1.286 -9.824 221 HE ARG 31 HE ARG 31 13.961 1.906 -8.167 222 HH11 ARG 31 HH12 ARG 31 12.704 2.157 -11.459 223 HH12 ARG 31 HH11 ARG 31 13.867 3.377 -11.905 224 HH21 ARG 31 HH22 ARG 31 15.372 3.472 -8.771 225 HH22 ARG 31 HH21 ARG 31 15.351 4.166 -10.371 226 H LEU 32 H LEU 32 10.142 -0.358 -4.841 227 HA LEU 32 HA LEU 32 8.863 -3.033 -5.106 228 HB2 LEU 32 HB1 LEU 32 8.717 -1.806 -3.000 229 HB3 LEU 32 HB2 LEU 32 8.079 -0.376 -3.839 230 HG LEU 32 HG LEU 32 6.079 -1.925 -4.513 231 HD11 LEU 32 HD11 LEU 32 5.684 -3.792 -2.916 232 HD12 LEU 32 HD12 LEU 32 7.294 -3.521 -2.218 233 HD13 LEU 32 HD13 LEU 32 7.133 -4.081 -3.894 234 HD21 LEU 32 HD21 LEU 32 5.016 -1.512 -2.278 235 HD22 LEU 32 HD22 LEU 32 5.848 -0.101 -2.944 236 HD23 LEU 32 HD23 LEU 32 6.599 -1.055 -1.645 237 H VAL 33 H VAL 33 7.930 -3.438 -7.050 238 HA VAL 33 HA VAL 33 6.888 -1.135 -8.685 239 HB VAL 33 HB VAL 33 7.157 -2.583 -10.657 240 HG11 VAL 33 HG11 VAL 33 9.774 -2.306 -9.117 241 HG12 VAL 33 HG12 VAL 33 9.539 -2.340 -10.882 242 HG13 VAL 33 HG13 VAL 33 8.951 -0.978 -9.950 243 HG21 VAL 33 HG21 VAL 33 8.500 -4.628 -10.586 244 HG22 VAL 33 HG22 VAL 33 8.644 -4.525 -8.823 245 HG23 VAL 33 HG23 VAL 33 7.064 -4.834 -9.576 246 H GLY 34 H GLY 34 5.955 -3.929 -6.876 247 HA2 GLY 34 HA3 GLY 34 3.180 -3.652 -7.716 248 HA3 GLY 34 HA2 GLY 34 3.940 -5.205 -8.134 249 H ALA 35 H ALA 35 1.895 -5.524 -6.762 250 HA ALA 35 HA ALA 35 2.970 -6.870 -4.428 251 HB1 ALA 35 HB1 ALA 35 2.103 -4.983 -3.245 252 HB2 ALA 35 HB2 ALA 35 0.604 -4.951 -4.199 253 HB3 ALA 35 HB3 ALA 35 0.909 -6.250 -3.034 254 H ARG 36 H ARG 36 1.106 -8.333 -3.601 255 HA ARG 36 HA ARG 36 -1.198 -8.623 -5.229 256 HB2 ARG 36 HB1 ARG 36 -1.132 -10.993 -5.783 257 HB3 ARG 36 HB2 ARG 36 0.167 -10.125 -6.618 258 HG2 ARG 36 HG1 ARG 36 1.803 -10.936 -5.054 259 HG3 ARG 36 HG2 ARG 36 0.531 -11.617 -4.020 260 HD2 ARG 36 HD1 ARG 36 1.195 -12.600 -6.803 261 HD3 ARG 36 HD2 ARG 36 1.832 -13.307 -5.300 262 HE ARG 36 HE ARG 36 -0.771 -13.713 -6.488 263 HH11 ARG 36 HH12 ARG 36 0.795 -13.702 -3.251 264 HH12 ARG 36 HH11 ARG 36 -0.168 -15.015 -2.714 265 HH21 ARG 36 HH22 ARG 36 -2.070 -15.297 -5.628 266 HH22 ARG 36 HH21 ARG 36 -1.819 -15.842 -3.994 267 H THR 37 H THR 37 -2.493 -10.667 -4.179 268 HA THR 37 HA THR 37 -2.192 -11.057 -1.337 269 HB THR 37 HB THR 37 -2.735 -8.777 -1.127 270 HG1 THR 37 HG1 THR 37 -3.761 -9.883 0.309 271 HG21 THR 37 HG21 THR 37 -3.769 -8.211 -3.312 272 HG22 THR 37 HG22 THR 37 -4.842 -7.773 -1.976 273 HG23 THR 37 HG23 THR 37 -5.165 -9.242 -2.917 274 HA PRO 38 HA PRO 38 -5.272 -14.022 -2.806 275 HB2 PRO 38 HB1 PRO 38 -6.226 -15.103 -0.502 276 HB3 PRO 38 HB2 PRO 38 -4.556 -15.343 -1.120 277 HG2 PRO 38 HG1 PRO 38 -5.472 -13.464 1.040 278 HG3 PRO 38 HG2 PRO 38 -4.052 -14.570 1.052 279 HD2 PRO 38 HD1 PRO 38 -3.956 -11.876 0.387 280 HD3 PRO 38 HD2 PRO 38 -2.787 -13.051 -0.237 281 H VAL 39 H VAL 39 -6.069 -11.199 -1.239 282 HA VAL 39 HA VAL 39 -9.014 -11.589 -1.655 283 HB VAL 39 HB VAL 39 -9.452 -9.994 0.128 284 HG11 VAL 39 HG11 VAL 39 -9.405 -12.352 0.697 285 HG12 VAL 39 HG12 VAL 39 -7.649 -12.309 0.960 286 HG13 VAL 39 HG13 VAL 39 -8.706 -11.404 2.031 287 HG21 VAL 39 HG21 VAL 39 -6.508 -10.105 0.861 288 HG22 VAL 39 HG22 VAL 39 -7.170 -8.754 -0.080 289 HG23 VAL 39 HG23 VAL 39 -7.767 -9.070 1.545 290 H ALA 40 H ALA 40 -7.455 -10.779 -3.838 291 HA ALA 40 HA ALA 40 -9.197 -8.612 -4.691 292 HB1 ALA 40 HB1 ALA 40 -7.480 -7.027 -5.360 293 HB2 ALA 40 HB2 ALA 40 -7.309 -7.317 -3.621 294 HB3 ALA 40 HB3 ALA 40 -6.189 -8.088 -4.769 295 H GLU 41 H GLU 41 -8.907 -8.209 -7.042 296 HA GLU 41 HA GLU 41 -7.912 -10.559 -8.594 297 HB2 GLU 41 HB1 GLU 41 -10.300 -9.524 -8.762 298 HB3 GLU 41 HB2 GLU 41 -9.527 -8.187 -9.622 299 HG2 GLU 41 HG1 GLU 41 -10.223 -9.567 -11.364 300 HG3 GLU 41 HG2 GLU 41 -8.550 -10.093 -11.171 301 H ARG 42 H ARG 42 -7.868 -6.957 -8.576 302 HA ARG 42 HA ARG 42 -5.172 -6.889 -9.784 303 HB2 ARG 42 HB1 ARG 42 -6.788 -5.892 -11.299 304 HB3 ARG 42 HB2 ARG 42 -7.574 -5.013 -9.981 305 HG2 ARG 42 HG1 ARG 42 -5.330 -3.872 -9.600 306 HG3 ARG 42 HG2 ARG 42 -4.806 -4.581 -11.119 307 HD2 ARG 42 HD1 ARG 42 -7.014 -2.538 -10.638 308 HD3 ARG 42 HD2 ARG 42 -5.448 -2.272 -11.443 309 HE ARG 42 HE ARG 42 -6.906 -4.240 -12.873 310 HH11 ARG 42 HH12 ARG 42 -6.949 -0.747 -12.184 311 HH12 ARG 42 HH11 ARG 42 -7.762 -0.357 -13.661 312 HH21 ARG 42 HH22 ARG 42 -7.963 -3.688 -14.780 313 HH22 ARG 42 HH21 ARG 42 -8.294 -2.020 -15.154 314 H VAL 43 H VAL 43 -3.740 -5.848 -8.593 315 HA VAL 43 HA VAL 43 -4.623 -4.032 -6.419 316 HB VAL 43 HB VAL 43 -3.122 -6.014 -5.697 317 HG11 VAL 43 HG11 VAL 43 -1.390 -5.783 -7.484 318 HG12 VAL 43 HG12 VAL 43 -0.887 -4.233 -6.767 319 HG13 VAL 43 HG13 VAL 43 -0.749 -5.726 -5.840 320 HG21 VAL 43 HG21 VAL 43 -3.709 -4.187 -4.230 321 HG22 VAL 43 HG22 VAL 43 -2.004 -4.610 -4.007 322 HG23 VAL 43 HG23 VAL 43 -2.447 -3.160 -4.934 323 H GLU 44 H GLU 44 -3.678 -1.979 -6.482 324 HA GLU 44 HA GLU 44 -1.763 -1.234 -8.667 325 HB2 GLU 44 HB1 GLU 44 -4.232 0.275 -7.687 326 HB3 GLU 44 HB2 GLU 44 -2.915 1.051 -8.596 327 HG2 GLU 44 HG1 GLU 44 -3.403 -0.160 -10.561 328 HG3 GLU 44 HG2 GLU 44 -4.389 -1.347 -9.680 329 H LEU 45 H LEU 45 -0.218 0.413 -7.848 330 HA LEU 45 HA LEU 45 -0.666 1.107 -4.976 331 HB2 LEU 45 HB1 LEU 45 1.443 1.578 -4.480 332 HB3 LEU 45 HB2 LEU 45 1.560 0.050 -5.311 333 HG LEU 45 HG LEU 45 2.185 2.756 -6.500 334 HD11 LEU 45 HD11 LEU 45 3.639 2.274 -4.611 335 HD12 LEU 45 HD12 LEU 45 4.553 2.198 -6.125 336 HD13 LEU 45 HD13 LEU 45 4.076 0.692 -5.303 337 HD21 LEU 45 HD21 LEU 45 1.753 1.020 -8.251 338 HD22 LEU 45 HD22 LEU 45 2.843 -0.113 -7.425 339 HD23 LEU 45 HD23 LEU 45 3.493 1.346 -8.188 340 H HIS 46 H HIS 46 -0.896 3.016 -4.332 341 HA HIS 46 HA HIS 46 -1.024 5.284 -6.258 342 HB2 HIS 46 HB1 HIS 46 -2.835 4.442 -3.960 343 HB3 HIS 46 HB2 HIS 46 -2.943 6.024 -4.745 344 HD2 HIS 46 HD2 HIS 46 -2.648 3.556 -7.501 345 HE1 HIS 46 HE1 HIS 46 -6.780 3.637 -6.547 346 HE2 HIS 46 HE2 HIS 46 -5.057 2.909 -8.344 347 H GLU 47 H GLU 47 -0.938 7.231 -5.449 348 HA GLU 47 HA GLU 47 0.483 7.674 -2.866 349 HB2 GLU 47 HB1 GLU 47 1.170 9.846 -3.896 350 HB3 GLU 47 HB2 GLU 47 1.849 8.282 -4.544 351 HG2 GLU 47 HG1 GLU 47 1.743 9.745 -6.312 352 HG3 GLU 47 HG2 GLU 47 0.523 8.498 -6.551 353 H THR 48 H THR 48 -0.078 9.980 -1.954 354 HA THR 48 HA THR 48 -2.704 11.009 -2.771 355 HB THR 48 HB THR 48 -2.195 10.024 0.060 356 HG1 THR 48 HG1 THR 48 -3.231 9.044 -2.010 357 HG21 THR 48 HG21 THR 48 -4.462 11.830 -0.919 358 HG22 THR 48 HG22 THR 48 -3.209 12.287 0.261 359 HG23 THR 48 HG23 THR 48 -4.375 11.021 0.662 360 H PHE 49 H PHE 49 -2.755 13.194 -2.556 361 HA PHE 49 HA PHE 49 -0.451 14.638 -1.386 362 HB2 PHE 49 HB1 PHE 49 0.105 15.657 -3.528 363 HB3 PHE 49 HB2 PHE 49 0.294 13.904 -3.602 364 HD1 PHE 49 HD1 PHE 49 -1.384 12.517 -4.910 365 HD2 PHE 49 HD2 PHE 49 -1.433 16.824 -4.969 366 HE1 PHE 49 HE1 PHE 49 -2.892 12.452 -6.788 367 HE2 PHE 49 HE2 PHE 49 -2.932 16.773 -6.929 368 HZ PHE 49 HZ PHE 49 -3.713 14.559 -7.850 369 H MET 50 H MET 50 -0.648 17.042 -2.148 370 HA MET 50 HA MET 50 -3.419 17.973 -1.585 371 HB2 MET 50 HB1 MET 50 -2.479 19.893 -0.549 372 HB3 MET 50 HB2 MET 50 -1.862 18.426 0.218 373 HG2 MET 50 HG1 MET 50 -0.367 20.000 -1.900 374 HG3 MET 50 HG2 MET 50 -0.209 20.308 -0.164 375 HE1 MET 50 HE1 MET 50 0.304 18.233 1.516 376 HE2 MET 50 HE2 MET 50 1.909 17.529 1.225 377 HE3 MET 50 HE3 MET 50 1.713 19.289 1.232 378 H ARG 51 H ARG 51 -4.375 19.565 -2.746 379 HA ARG 51 HA ARG 51 -2.816 21.000 -4.852 380 HB2 ARG 51 HB1 ARG 51 -5.663 19.953 -4.996 381 HB3 ARG 51 HB2 ARG 51 -5.024 21.257 -6.036 382 HG2 ARG 51 HG1 ARG 51 -3.234 19.624 -6.785 383 HG3 ARG 51 HG2 ARG 51 -4.144 18.359 -5.922 384 HD2 ARG 51 HD1 ARG 51 -4.730 18.380 -8.322 385 HD3 ARG 51 HD2 ARG 51 -6.127 18.829 -7.319 386 HE ARG 51 HE ARG 51 -5.835 21.126 -7.972 387 HH11 ARG 51 HH12 ARG 51 -3.820 18.973 -9.925 388 HH12 ARG 51 HH11 ARG 51 -3.513 20.203 -11.117 389 HH21 ARG 51 HH22 ARG 51 -5.325 22.667 -9.414 390 HH22 ARG 51 HH21 ARG 51 -4.403 22.299 -10.844 391 H GLU 52 H GLU 52 -3.346 23.270 -5.041 392 HA GLU 52 HA GLU 52 -5.563 24.338 -3.428 393 HB2 GLU 52 HB1 GLU 52 -3.303 25.485 -3.567 394 HB3 GLU 52 HB2 GLU 52 -3.558 25.621 -5.326 395 HG2 GLU 52 HG1 GLU 52 -4.224 27.684 -4.555 396 HG3 GLU 52 HG2 GLU 52 -5.762 26.861 -4.684 397 H VAL 53 H VAL 53 -7.468 24.793 -4.524 398 HA VAL 53 HA VAL 53 -7.296 25.418 -7.413 399 HB VAL 53 HB VAL 53 -9.551 23.673 -6.297 400 HG11 VAL 53 HG11 VAL 53 -9.026 24.763 -9.107 401 HG12 VAL 53 HG12 VAL 53 -10.310 23.612 -8.680 402 HG13 VAL 53 HG13 VAL 53 -10.347 25.247 -8.024 403 HG21 VAL 53 HG21 VAL 53 -8.784 21.941 -7.913 404 HG22 VAL 53 HG22 VAL 53 -7.365 22.935 -8.298 405 HG23 VAL 53 HG23 VAL 53 -7.578 22.251 -6.667 406 H GLU 54 H GLU 54 -8.221 27.410 -7.679 407 HA GLU 54 HA GLU 54 -9.412 29.310 -7.331 408 HB2 GLU 54 HB1 GLU 54 -11.171 27.364 -7.371 409 HB3 GLU 54 HB2 GLU 54 -11.400 27.790 -5.666 410 HG2 GLU 54 HG1 GLU 54 -11.680 30.243 -6.650 411 HG3 GLU 54 HG2 GLU 54 -12.005 29.391 -8.170 412 H GLY 55 H GLY 55 -7.366 28.662 -5.210 413 HA2 GLY 55 HA3 GLY 55 -6.609 29.795 -3.312 414 HA3 GLY 55 HA2 GLY 55 -8.190 30.598 -3.166 415 H LYS 56 H LYS 56 -8.450 27.224 -3.500 416 HA LYS 56 HA LYS 56 -9.071 26.838 -0.620 417 HB2 LYS 56 HB1 LYS 56 -10.583 25.697 -2.991 418 HB3 LYS 56 HB2 LYS 56 -11.014 25.546 -1.277 419 HG2 LYS 56 HG1 LYS 56 -11.610 27.867 -1.138 420 HG3 LYS 56 HG2 LYS 56 -10.898 28.222 -2.732 421 HD2 LYS 56 HD1 LYS 56 -12.602 26.664 -3.752 422 HD3 LYS 56 HD2 LYS 56 -13.424 26.643 -2.184 423 HE2 LYS 56 HE1 LYS 56 -13.677 29.097 -2.260 424 HE3 LYS 56 HE2 LYS 56 -12.678 29.160 -3.749 425 HZ1 LYS 56 HZ1 LYS 56 -14.409 27.851 -4.838 426 HZ2 LYS 56 HZ2 LYS 56 -14.820 29.306 -4.501 427 HZ3 LYS 56 HZ3 LYS 56 -15.430 28.069 -3.541 428 H LYS 57 H LYS 57 -7.801 25.417 0.188 429 HA LYS 57 HA LYS 57 -6.187 23.604 -1.326 430 HB2 LYS 57 HB1 LYS 57 -5.272 23.185 1.048 431 HB3 LYS 57 HB2 LYS 57 -4.990 24.717 0.185 432 HG2 LYS 57 HG1 LYS 57 -7.316 24.913 1.928 433 HG3 LYS 57 HG2 LYS 57 -5.857 24.372 2.819 434 HD2 LYS 57 HD1 LYS 57 -5.986 26.797 2.920 435 HD3 LYS 57 HD2 LYS 57 -4.596 26.294 1.927 436 HE2 LYS 57 HE1 LYS 57 -6.355 26.533 -0.036 437 HE3 LYS 57 HE2 LYS 57 -7.212 27.592 1.060 438 HZ1 LYS 57 HZ1 LYS 57 -5.347 29.085 1.009 439 HZ2 LYS 57 HZ2 LYS 57 -5.573 28.577 -0.550 440 HZ3 LYS 57 HZ3 LYS 57 -4.377 27.946 0.267 441 H VAL 58 H VAL 58 -6.612 21.627 -1.794 442 HA VAL 58 HA VAL 58 -8.420 19.858 -0.232 443 HB VAL 58 HB VAL 58 -8.916 20.640 -3.149 444 HG11 VAL 58 HG11 VAL 58 -10.470 18.784 -1.287 445 HG12 VAL 58 HG12 VAL 58 -11.023 19.306 -2.893 446 HG13 VAL 58 HG13 VAL 58 -9.576 18.313 -2.750 447 HG21 VAL 58 HG21 VAL 58 -11.082 21.598 -2.355 448 HG22 VAL 58 HG22 VAL 58 -10.555 21.355 -0.677 449 HG23 VAL 58 HG23 VAL 58 -9.692 22.487 -1.745 450 H MET 59 H MET 59 -7.976 17.695 -0.572 451 HA MET 59 HA MET 59 -5.390 17.127 -1.772 452 HB2 MET 59 HB1 MET 59 -7.315 15.464 -0.129 453 HB3 MET 59 HB2 MET 59 -5.701 14.911 -0.659 454 HG2 MET 59 HG1 MET 59 -5.285 15.672 1.473 455 HG3 MET 59 HG2 MET 59 -4.784 17.028 0.465 456 HE1 MET 59 HE1 MET 59 -5.582 16.988 3.836 457 HE2 MET 59 HE2 MET 59 -4.598 18.075 2.824 458 HE3 MET 59 HE3 MET 59 -5.970 18.723 3.750 459 H GLY 60 H GLY 60 -4.995 14.963 -2.759 460 HA2 GLY 60 HA3 GLY 60 -6.989 14.005 -4.694 461 HA3 GLY 60 HA2 GLY 60 -5.496 14.708 -5.358 462 H MET 61 H MET 61 -6.189 12.077 -5.883 463 HA MET 61 HA MET 61 -3.870 10.586 -4.837 464 HB2 MET 61 HB1 MET 61 -5.467 9.767 -3.290 465 HB3 MET 61 HB2 MET 61 -6.783 9.861 -4.478 466 HG2 MET 61 HG1 MET 61 -5.530 7.981 -5.702 467 HG3 MET 61 HG2 MET 61 -4.629 7.765 -4.215 468 HE1 MET 61 HE1 MET 61 -7.947 8.712 -2.773 469 HE2 MET 61 HE2 MET 61 -8.086 7.126 -1.974 470 HE3 MET 61 HE3 MET 61 -6.545 8.025 -1.908 471 H ARG 62 H ARG 62 -2.962 9.407 -6.284 472 HA ARG 62 HA ARG 62 -4.273 8.656 -8.858 473 HB2 ARG 62 HB1 ARG 62 -1.717 10.171 -8.227 474 HB3 ARG 62 HB2 ARG 62 -2.013 9.447 -9.806 475 HG2 ARG 62 HG1 ARG 62 -3.864 10.982 -10.203 476 HG3 ARG 62 HG2 ARG 62 -3.785 11.603 -8.541 477 HD2 ARG 62 HD1 ARG 62 -2.636 13.141 -10.059 478 HD3 ARG 62 HD2 ARG 62 -1.514 12.409 -8.889 479 HE ARG 62 HE ARG 62 -1.816 11.037 -11.462 480 HH11 ARG 62 HH12 ARG 62 0.333 12.805 -9.328 481 HH12 ARG 62 HH11 ARG 62 1.658 12.803 -10.454 482 HH21 ARG 62 HH22 ARG 62 -0.022 10.804 -12.779 483 HH22 ARG 62 HH21 ARG 62 1.502 11.495 -12.310 484 HA PRO 63 HA PRO 63 -1.574 5.059 -8.205 485 HB2 PRO 63 HB1 PRO 63 -1.213 4.072 -10.701 486 HB3 PRO 63 HB2 PRO 63 -2.791 3.965 -9.863 487 HG2 PRO 63 HG1 PRO 63 -1.895 6.050 -11.874 488 HG3 PRO 63 HG2 PRO 63 -3.432 5.112 -11.860 489 HD2 PRO 63 HD1 PRO 63 -3.246 7.660 -10.846 490 HD3 PRO 63 HD2 PRO 63 -4.311 6.424 -10.111 491 H VAL 64 H VAL 64 0.630 4.433 -8.359 492 HA VAL 64 HA VAL 64 2.390 6.351 -9.850 493 HB VAL 64 HB VAL 64 3.986 5.479 -7.742 494 HG11 VAL 64 HG11 VAL 64 3.903 7.856 -7.036 495 HG12 VAL 64 HG12 VAL 64 4.008 7.712 -8.795 496 HG13 VAL 64 HG13 VAL 64 2.458 8.099 -8.041 497 HG21 VAL 64 HG21 VAL 64 2.914 6.082 -5.658 498 HG22 VAL 64 HG22 VAL 64 1.390 6.444 -6.489 499 HG23 VAL 64 HG23 VAL 64 1.969 4.791 -6.391 500 HA PRO 65 HA PRO 65 3.980 2.787 -11.698 501 HB2 PRO 65 HB1 PRO 65 6.476 3.413 -12.494 502 HB3 PRO 65 HB2 PRO 65 5.052 4.350 -13.046 503 HG2 PRO 65 HG1 PRO 65 6.956 5.022 -10.785 504 HG3 PRO 65 HG2 PRO 65 6.400 6.094 -12.120 505 HD2 PRO 65 HD1 PRO 65 5.238 6.066 -9.620 506 HD3 PRO 65 HD2 PRO 65 4.311 6.412 -11.102 507 H PHE 66 H PHE 66 5.866 3.809 -8.907 508 HA PHE 66 HA PHE 66 6.238 1.265 -7.789 509 HB2 PHE 66 HB1 PHE 66 8.657 0.962 -8.054 510 HB3 PHE 66 HB2 PHE 66 7.830 0.837 -9.597 511 HD1 PHE 66 HD2 PHE 66 10.052 2.889 -7.495 512 HD2 PHE 66 HD1 PHE 66 8.256 2.438 -11.366 513 HE1 PHE 66 HE2 PHE 66 11.472 4.713 -8.319 514 HE2 PHE 66 HE1 PHE 66 9.759 4.233 -12.264 515 HZ PHE 66 HZ PHE 66 11.362 5.383 -10.737 516 H LEU 67 H LEU 67 7.787 1.374 -5.930 517 HA LEU 67 HA LEU 67 8.439 4.151 -5.019 518 HB2 LEU 67 HB1 LEU 67 8.032 1.734 -3.217 519 HB3 LEU 67 HB2 LEU 67 8.392 3.385 -2.700 520 HG LEU 67 HG LEU 67 5.813 2.300 -3.863 521 HD11 LEU 67 HD11 LEU 67 6.259 1.795 -1.495 522 HD12 LEU 67 HD12 LEU 67 4.907 2.930 -1.663 523 HD13 LEU 67 HD13 LEU 67 6.522 3.521 -1.173 524 HD21 LEU 67 HD21 LEU 67 6.078 4.624 -4.716 525 HD22 LEU 67 HD22 LEU 67 6.387 5.193 -3.061 526 HD23 LEU 67 HD23 LEU 67 4.804 4.511 -3.507 527 H GLU 68 H GLU 68 10.450 4.354 -3.923 528 HA GLU 68 HA GLU 68 12.517 2.357 -4.774 529 HB2 GLU 68 HB1 GLU 68 12.543 4.399 -6.196 530 HB3 GLU 68 HB2 GLU 68 12.701 5.402 -4.733 531 HG2 GLU 68 HG1 GLU 68 14.878 5.291 -5.524 532 HG3 GLU 68 HG2 GLU 68 14.898 4.049 -4.282 533 H VAL 69 H VAL 69 13.998 1.823 -3.232 534 HA VAL 69 HA VAL 69 14.361 3.590 -0.932 535 HB VAL 69 HB VAL 69 13.237 0.777 -0.785 536 HG11 VAL 69 HG11 VAL 69 15.110 0.457 0.665 537 HG12 VAL 69 HG12 VAL 69 14.793 1.998 1.516 538 HG13 VAL 69 HG13 VAL 69 13.674 0.629 1.650 539 HG21 VAL 69 HG21 VAL 69 11.839 1.835 1.010 540 HG22 VAL 69 HG22 VAL 69 12.599 3.389 0.646 541 HG23 VAL 69 HG23 VAL 69 11.610 2.530 -0.574 542 HA PRO 70 HA PRO 70 18.570 2.242 -1.531 543 HB2 PRO 70 HB1 PRO 70 19.802 3.470 0.561 544 HB3 PRO 70 HB2 PRO 70 19.120 4.390 -0.812 545 HG2 PRO 70 HG1 PRO 70 17.812 3.822 1.868 546 HG3 PRO 70 HG2 PRO 70 17.994 5.411 1.043 547 HD2 PRO 70 HD1 PRO 70 15.707 3.933 0.841 548 HD3 PRO 70 HD2 PRO 70 16.339 4.864 -0.551 549 HA PRO 71 HA PRO 71 19.438 -1.155 1.422 550 HB2 PRO 71 HB1 PRO 71 22.130 -0.917 1.826 551 HB3 PRO 71 HB2 PRO 71 21.358 -1.650 0.381 552 HG2 PRO 71 HG1 PRO 71 22.460 1.144 0.685 553 HG3 PRO 71 HG2 PRO 71 22.689 -0.020 -0.679 554 HD2 PRO 71 HD1 PRO 71 20.833 1.984 -0.771 555 HD3 PRO 71 HD2 PRO 71 20.545 0.379 -1.504 556 H LYS 72 H LYS 72 19.427 -1.361 3.607 557 HA LYS 72 HA LYS 72 19.176 -0.804 5.766 558 HB2 LYS 72 HB1 LYS 72 21.055 1.525 5.425 559 HB3 LYS 72 HB2 LYS 72 20.776 0.535 6.866 560 HG2 LYS 72 HG1 LYS 72 22.180 -0.312 4.304 561 HG3 LYS 72 HG2 LYS 72 22.936 0.065 5.862 562 HD2 LYS 72 HD1 LYS 72 22.033 -1.948 6.860 563 HD3 LYS 72 HD2 LYS 72 20.991 -2.254 5.445 564 HE2 LYS 72 HE1 LYS 72 22.913 -2.563 4.010 565 HE3 LYS 72 HE2 LYS 72 24.039 -2.156 5.308 566 HZ1 LYS 72 HZ1 LYS 72 22.225 -4.506 5.299 567 HZ2 LYS 72 HZ2 LYS 72 23.373 -4.167 6.439 568 HZ3 LYS 72 HZ3 LYS 72 23.812 -4.530 4.901 569 H GLY 73 H GLY 73 18.022 1.011 3.441 570 HA2 GLY 73 HA3 GLY 73 16.451 2.959 5.035 571 HA3 GLY 73 HA2 GLY 73 16.319 2.660 3.287 572 H ARG 74 H ARG 74 13.913 2.782 4.166 573 HA ARG 74 HA ARG 74 12.996 0.020 4.163 574 HB2 ARG 74 HB1 ARG 74 11.534 0.141 6.034 575 HB3 ARG 74 HB2 ARG 74 13.190 0.430 6.567 576 HG2 ARG 74 HG1 ARG 74 12.742 2.620 7.168 577 HG3 ARG 74 HG2 ARG 74 11.378 2.788 6.044 578 HD2 ARG 74 HD1 ARG 74 9.963 1.419 7.302 579 HD3 ARG 74 HD2 ARG 74 11.257 0.951 8.381 580 HE ARG 74 HE ARG 74 9.788 3.492 8.314 581 HH11 ARG 74 HH12 ARG 74 12.606 1.814 9.723 582 HH12 ARG 74 HH11 ARG 74 12.833 3.057 10.910 583 HH21 ARG 74 HH22 ARG 74 10.048 4.921 9.739 584 HH22 ARG 74 HH21 ARG 74 11.316 4.888 10.958 585 H VAL 75 H VAL 75 10.867 -0.312 3.714 586 HA VAL 75 HA VAL 75 9.729 1.650 1.769 587 HB VAL 75 HB VAL 75 9.384 -1.378 2.096 588 HG11 VAL 75 HG11 VAL 75 8.383 0.461 -0.131 589 HG12 VAL 75 HG12 VAL 75 8.276 -1.316 -0.107 590 HG13 VAL 75 HG13 VAL 75 7.369 -0.363 1.073 591 HG21 VAL 75 HG21 VAL 75 10.732 -1.696 0.154 592 HG22 VAL 75 HG22 VAL 75 10.862 0.044 -0.141 593 HG23 VAL 75 HG23 VAL 75 11.667 -0.702 1.261 594 H GLU 76 H GLU 76 8.226 2.865 2.869 595 HA GLU 76 HA GLU 76 6.176 1.415 4.494 596 HB2 GLU 76 HB1 GLU 76 6.162 3.970 5.518 597 HB3 GLU 76 HB2 GLU 76 6.748 2.482 6.298 598 HG2 GLU 76 HG1 GLU 76 8.981 3.014 5.927 599 HG3 GLU 76 HG2 GLU 76 8.612 4.154 4.625 600 H LEU 77 H LEU 77 4.402 1.358 3.489 601 HA LEU 77 HA LEU 77 3.371 3.624 1.864 602 HB2 LEU 77 HB1 LEU 77 2.409 0.778 2.327 603 HB3 LEU 77 HB2 LEU 77 1.500 2.030 1.448 604 HG LEU 77 HG LEU 77 4.005 2.158 0.253 605 HD11 LEU 77 HD11 LEU 77 3.415 -0.788 0.690 606 HD12 LEU 77 HD12 LEU 77 4.745 0.105 1.456 607 HD13 LEU 77 HD13 LEU 77 4.715 -0.089 -0.300 608 HD21 LEU 77 HD21 LEU 77 2.929 0.937 -1.660 609 HD22 LEU 77 HD22 LEU 77 1.973 2.268 -1.003 610 HD23 LEU 77 HD23 LEU 77 1.547 0.599 -0.589 611 H LYS 78 H LYS 78 3.534 4.962 3.599 612 HA LYS 78 HA LYS 78 2.180 4.534 6.061 613 HB2 LYS 78 HB1 LYS 78 2.885 6.805 6.587 614 HB3 LYS 78 HB2 LYS 78 4.188 5.863 5.841 615 HG2 LYS 78 HG1 LYS 78 3.183 7.085 3.624 616 HG3 LYS 78 HG2 LYS 78 2.690 8.283 4.846 617 HD2 LYS 78 HD1 LYS 78 4.837 9.009 4.110 618 HD3 LYS 78 HD2 LYS 78 5.150 8.196 5.658 619 HE2 LYS 78 HE1 LYS 78 5.633 6.083 4.315 620 HE3 LYS 78 HE2 LYS 78 5.522 7.048 2.841 621 HZ1 LYS 78 HZ1 LYS 78 7.790 6.880 3.492 622 HZ2 LYS 78 HZ2 LYS 78 7.477 7.216 5.035 623 HZ3 LYS 78 HZ3 LYS 78 7.365 8.431 3.912 624 HA PRO 79 HA PRO 79 -1.961 5.666 5.117 625 HB2 PRO 79 HB1 PRO 79 -2.920 6.575 7.516 626 HB3 PRO 79 HB2 PRO 79 -2.557 4.850 7.203 627 HG2 PRO 79 HG1 PRO 79 -0.737 6.917 8.489 628 HG3 PRO 79 HG2 PRO 79 -1.180 5.299 9.130 629 HD2 PRO 79 HD1 PRO 79 1.130 5.653 7.761 630 HD3 PRO 79 HD2 PRO 79 0.130 4.201 7.453 631 H GLY 80 H GLY 80 -3.076 7.399 4.383 632 HA2 GLY 80 HA3 GLY 80 -3.656 9.645 4.058 633 HA3 GLY 80 HA2 GLY 80 -2.328 10.144 5.131 634 H GLY 81 H GLY 81 -0.610 8.198 3.267 635 HA2 GLY 81 HA3 GLY 81 -0.419 9.959 0.859 636 HA3 GLY 81 HA2 GLY 81 1.037 9.429 1.734 637 H TYR 82 H TYR 82 1.949 7.490 1.173 638 HA TYR 82 HA TYR 82 0.910 6.268 -1.246 639 HB2 TYR 82 HB1 TYR 82 3.303 5.600 0.471 640 HB3 TYR 82 HB2 TYR 82 2.908 4.798 -1.064 641 HD1 TYR 82 HD2 TYR 82 2.921 6.036 -3.183 642 HD2 TYR 82 HD1 TYR 82 4.164 7.907 0.487 643 HE1 TYR 82 HE2 TYR 82 4.095 7.761 -4.478 644 HE2 TYR 82 HE1 TYR 82 5.240 9.735 -0.812 645 HH TYR 82 HH TYR 82 5.639 10.602 -2.920 646 H HIS 83 H HIS 83 0.107 4.309 -1.622 647 HA HIS 83 HA HIS 83 -0.443 2.376 0.506 648 HB2 HIS 83 HB1 HIS 83 -2.805 2.662 0.719 649 HB3 HIS 83 HB2 HIS 83 -1.960 4.119 1.240 650 HD1 HIS 83 HD1 HIS 83 -2.271 6.310 -0.469 651 HD2 HIS 83 HD2 HIS 83 -4.442 2.802 -1.374 652 HE1 HIS 83 HE1 HIS 83 -3.975 6.949 -2.233 653 H PHE 84 H PHE 84 -1.554 0.457 -0.265 654 HA PHE 84 HA PHE 84 -1.602 0.237 -3.239 655 HB2 PHE 84 HB1 PHE 84 -1.727 -1.773 -1.005 656 HB3 PHE 84 HB2 PHE 84 -2.234 -2.174 -2.662 657 HD1 PHE 84 HD2 PHE 84 -0.580 -1.968 -4.565 658 HD2 PHE 84 HD1 PHE 84 0.643 -1.622 -0.455 659 HE1 PHE 84 HE2 PHE 84 1.750 -2.479 -5.216 660 HE2 PHE 84 HE1 PHE 84 2.964 -2.202 -1.099 661 HZ PHE 84 HZ PHE 84 3.518 -2.630 -3.488 662 H MET 85 H MET 85 -3.469 0.021 -4.379 663 HA MET 85 HA MET 85 -6.119 0.328 -3.030 664 HB2 MET 85 HB1 MET 85 -5.211 1.847 -5.026 665 HB3 MET 85 HB2 MET 85 -5.864 0.490 -5.974 666 HG2 MET 85 HG1 MET 85 -7.694 1.940 -5.750 667 HG3 MET 85 HG2 MET 85 -7.985 0.716 -4.515 668 HE1 MET 85 HE1 MET 85 -9.759 3.054 -4.283 669 HE2 MET 85 HE2 MET 85 -9.580 1.935 -2.914 670 HE3 MET 85 HE3 MET 85 -9.540 3.687 -2.629 671 H LEU 86 H LEU 86 -7.453 -1.419 -3.160 672 HA LEU 86 HA LEU 86 -6.551 -3.874 -4.645 673 HB2 LEU 86 HB1 LEU 86 -8.091 -3.483 -2.057 674 HB3 LEU 86 HB2 LEU 86 -8.066 -5.019 -2.972 675 HG LEU 86 HG LEU 86 -5.657 -5.224 -2.583 676 HD11 LEU 86 HD11 LEU 86 -4.591 -3.821 -0.774 677 HD12 LEU 86 HD12 LEU 86 -5.960 -2.695 -0.891 678 HD13 LEU 86 HD13 LEU 86 -4.861 -2.943 -2.272 679 HD21 LEU 86 HD21 LEU 86 -5.872 -5.769 -0.179 680 HD22 LEU 86 HD22 LEU 86 -7.341 -6.225 -1.058 681 HD23 LEU 86 HD23 LEU 86 -7.323 -4.745 -0.071 682 H LEU 87 H LEU 87 -7.828 -4.461 -6.264 683 HA LEU 87 HA LEU 87 -10.668 -3.521 -6.382 684 HB2 LEU 87 HB1 LEU 87 -8.545 -3.788 -8.530 685 HB3 LEU 87 HB2 LEU 87 -10.271 -3.639 -8.905 686 HG LEU 87 HG LEU 87 -9.182 -1.568 -9.312 687 HD11 LEU 87 HD11 LEU 87 -10.748 -1.277 -6.714 688 HD12 LEU 87 HD12 LEU 87 -11.463 -1.468 -8.338 689 HD13 LEU 87 HD13 LEU 87 -10.493 -0.033 -7.950 690 HD21 LEU 87 HD21 LEU 87 -7.903 -0.285 -7.796 691 HD22 LEU 87 HD22 LEU 87 -7.261 -1.939 -7.675 692 HD23 LEU 87 HD23 LEU 87 -8.354 -1.303 -6.423 693 H GLY 88 H GLY 88 -12.048 -5.022 -6.446 694 HA2 GLY 88 HA3 GLY 88 -13.179 -6.983 -7.092 695 HA3 GLY 88 HA2 GLY 88 -11.719 -7.525 -7.951 696 H LEU 89 H LEU 89 -12.260 -6.695 -4.519 697 HA LEU 89 HA LEU 89 -10.839 -8.644 -3.286 698 HB2 LEU 89 HB1 LEU 89 -13.555 -7.990 -2.202 699 HB3 LEU 89 HB2 LEU 89 -12.069 -8.386 -1.314 700 HG LEU 89 HG LEU 89 -12.838 -5.789 -2.644 701 HD11 LEU 89 HD11 LEU 89 -12.639 -4.981 -0.304 702 HD12 LEU 89 HD12 LEU 89 -12.217 -6.644 0.189 703 HD13 LEU 89 HD13 LEU 89 -13.820 -6.297 -0.464 704 HD21 LEU 89 HD21 LEU 89 -10.161 -6.427 -1.327 705 HD22 LEU 89 HD22 LEU 89 -10.701 -4.841 -1.923 706 HD23 LEU 89 HD23 LEU 89 -10.398 -6.149 -3.065 707 H LYS 90 H LYS 90 -11.249 -10.485 -2.102 708 HA LYS 90 HA LYS 90 -13.053 -12.428 -3.516 709 HB2 LYS 90 HB1 LYS 90 -10.504 -13.021 -2.025 710 HB3 LYS 90 HB2 LYS 90 -11.476 -14.156 -2.987 711 HG2 LYS 90 HG1 LYS 90 -9.929 -11.755 -4.037 712 HG3 LYS 90 HG2 LYS 90 -9.494 -13.478 -4.198 713 HD2 LYS 90 HD1 LYS 90 -11.586 -13.817 -5.541 714 HD3 LYS 90 HD2 LYS 90 -11.839 -12.056 -5.505 715 HE2 LYS 90 HE1 LYS 90 -9.785 -11.649 -6.684 716 HE3 LYS 90 HE2 LYS 90 -9.263 -13.337 -6.508 717 HZ1 LYS 90 HZ1 LYS 90 -10.064 -12.971 -8.707 718 HZ2 LYS 90 HZ2 LYS 90 -11.411 -12.294 -8.273 719 HZ3 LYS 90 HZ3 LYS 90 -11.189 -13.915 -7.988 720 H ARG 91 H ARG 91 -13.133 -10.715 -0.783 721 HA ARG 91 HA ARG 91 -15.160 -12.292 0.510 722 HB2 ARG 91 HB1 ARG 91 -14.093 -12.680 2.585 723 HB3 ARG 91 HB2 ARG 91 -12.874 -13.133 1.364 724 HG2 ARG 91 HG1 ARG 91 -12.030 -10.710 1.640 725 HG3 ARG 91 HG2 ARG 91 -12.947 -10.667 3.136 726 HD2 ARG 91 HD1 ARG 91 -10.902 -12.829 2.574 727 HD3 ARG 91 HD2 ARG 91 -10.458 -11.207 3.204 728 HE ARG 91 HE ARG 91 -12.331 -12.130 5.020 729 HH11 ARG 91 HH12 ARG 91 -9.066 -12.971 3.940 730 HH12 ARG 91 HH11 ARG 91 -8.560 -13.189 5.572 731 HH21 ARG 91 HH22 ARG 91 -11.677 -12.768 6.946 732 HH22 ARG 91 HH21 ARG 91 -10.071 -13.454 7.233 733 HA PRO 92 HA PRO 92 -15.972 -7.917 1.671 734 HB2 PRO 92 HB1 PRO 92 -17.435 -8.090 3.965 735 HB3 PRO 92 HB2 PRO 92 -18.107 -8.506 2.358 736 HG2 PRO 92 HG1 PRO 92 -17.013 -10.380 4.468 737 HG3 PRO 92 HG2 PRO 92 -18.523 -10.548 3.504 738 HD2 PRO 92 HD1 PRO 92 -16.157 -11.822 2.862 739 HD3 PRO 92 HD2 PRO 92 -17.340 -11.300 1.628 740 H LEU 93 H LEU 93 -14.258 -6.753 2.380 741 HA LEU 93 HA LEU 93 -12.546 -7.640 4.608 742 HB2 LEU 93 HB1 LEU 93 -12.380 -5.848 2.271 743 HB3 LEU 93 HB2 LEU 93 -11.634 -5.147 3.723 744 HG LEU 93 HG LEU 93 -10.110 -6.937 3.946 745 HD11 LEU 93 HD11 LEU 93 -11.464 -8.264 1.569 746 HD12 LEU 93 HD12 LEU 93 -11.382 -8.864 3.241 747 HD13 LEU 93 HD13 LEU 93 -9.912 -8.763 2.280 748 HD21 LEU 93 HD21 LEU 93 -9.633 -5.056 2.361 749 HD22 LEU 93 HD22 LEU 93 -10.163 -6.087 1.028 750 HD23 LEU 93 HD23 LEU 93 -8.748 -6.551 1.988 751 H LYS 94 H LYS 94 -14.795 -7.480 5.832 752 HA LYS 94 HA LYS 94 -15.558 -4.881 6.784 753 HB2 LYS 94 HB1 LYS 94 -16.725 -6.051 8.544 754 HB3 LYS 94 HB2 LYS 94 -17.003 -6.870 6.999 755 HG2 LYS 94 HG1 LYS 94 -15.601 -8.696 7.599 756 HG3 LYS 94 HG2 LYS 94 -14.828 -7.770 8.911 757 HD2 LYS 94 HD1 LYS 94 -17.005 -7.725 10.114 758 HD3 LYS 94 HD2 LYS 94 -17.674 -8.790 8.860 759 HE2 LYS 94 HE1 LYS 94 -16.962 -9.949 10.996 760 HE3 LYS 94 HE2 LYS 94 -16.203 -10.596 9.513 761 HZ1 LYS 94 HZ1 LYS 94 -14.231 -9.749 10.041 762 HZ2 LYS 94 HZ2 LYS 94 -14.703 -10.161 11.519 763 HZ3 LYS 94 HZ3 LYS 94 -14.774 -8.556 11.065 764 H ALA 95 H ALA 95 -15.289 -4.159 9.108 765 HA ALA 95 HA ALA 95 -12.632 -4.040 10.110 766 HB1 ALA 95 HB1 ALA 95 -15.317 -3.769 11.549 767 HB2 ALA 95 HB2 ALA 95 -13.739 -3.201 12.136 768 HB3 ALA 95 HB3 ALA 95 -14.467 -2.452 10.701 769 H GLY 96 H GLY 96 -11.517 -5.425 11.108 770 HA2 GLY 96 HA3 GLY 96 -10.831 -7.142 12.529 771 HA3 GLY 96 HA2 GLY 96 -12.534 -7.496 12.895 772 H GLU 97 H GLU 97 -11.211 -7.479 9.588 773 HA GLU 97 HA GLU 97 -11.086 -10.470 9.536 774 HB2 GLU 97 HB1 GLU 97 -10.662 -8.420 7.346 775 HB3 GLU 97 HB2 GLU 97 -10.590 -10.168 7.124 776 HG2 GLU 97 HG1 GLU 97 -13.063 -8.607 7.925 777 HG3 GLU 97 HG2 GLU 97 -12.657 -9.140 6.282 778 H GLU 98 H GLU 98 -8.950 -10.931 7.980 779 HA GLU 98 HA GLU 98 -6.662 -9.386 8.565 780 HB2 GLU 98 HB1 GLU 98 -5.317 -11.202 9.440 781 HB3 GLU 98 HB2 GLU 98 -6.675 -10.884 10.538 782 HG2 GLU 98 HG1 GLU 98 -7.883 -12.823 9.539 783 HG3 GLU 98 HG2 GLU 98 -6.480 -13.163 8.509 784 H VAL 99 H VAL 99 -5.085 -9.979 7.214 785 HA VAL 99 HA VAL 99 -5.696 -11.337 4.613 786 HB VAL 99 HB VAL 99 -5.311 -8.359 5.187 787 HG11 VAL 99 HG11 VAL 99 -5.328 -7.980 2.697 788 HG12 VAL 99 HG12 VAL 99 -3.839 -8.663 3.335 789 HG13 VAL 99 HG13 VAL 99 -4.998 -9.715 2.491 790 HG21 VAL 99 HG21 VAL 99 -7.453 -9.913 3.673 791 HG22 VAL 99 HG22 VAL 99 -7.640 -9.105 5.234 792 HG23 VAL 99 HG23 VAL 99 -7.373 -8.139 3.791 793 H GLU 100 H GLU 100 -3.773 -11.477 3.211 794 HA GLU 100 HA GLU 100 -1.283 -10.461 4.406 795 HB2 GLU 100 HB1 GLU 100 0.092 -12.177 3.551 796 HB3 GLU 100 HB2 GLU 100 -1.095 -12.867 4.659 797 HG2 GLU 100 HG1 GLU 100 -2.310 -13.868 2.830 798 HG3 GLU 100 HG2 GLU 100 -1.399 -12.920 1.627 799 H LEU 101 H LEU 101 0.249 -9.696 2.995 800 HA LEU 101 HA LEU 101 -0.496 -9.244 0.154 801 HB2 LEU 101 HB1 LEU 101 0.108 -7.243 2.278 802 HB3 LEU 101 HB2 LEU 101 1.094 -7.086 0.789 803 HG LEU 101 HG LEU 101 -1.093 -7.128 -0.514 804 HD11 LEU 101 HD11 LEU 101 -2.276 -6.460 2.220 805 HD12 LEU 101 HD12 LEU 101 -2.639 -7.899 1.253 806 HD13 LEU 101 HD13 LEU 101 -3.112 -6.310 0.660 807 HD21 LEU 101 HD21 LEU 101 -1.468 -4.739 -0.206 808 HD22 LEU 101 HD22 LEU 101 0.262 -5.111 -0.206 809 HD23 LEU 101 HD23 LEU 101 -0.574 -4.775 1.333 810 H ASP 102 H ASP 102 1.087 -9.648 -1.239 811 HA ASP 102 HA ASP 102 3.887 -10.215 -0.382 812 HB2 ASP 102 HB1 ASP 102 2.477 -10.405 -3.060 813 HB3 ASP 102 HB2 ASP 102 4.194 -10.738 -2.794 814 H LEU 103 H LEU 103 5.564 -8.890 -1.104 815 HA LEU 103 HA LEU 103 4.903 -6.307 -2.460 816 HB2 LEU 103 HB1 LEU 103 7.037 -7.149 -0.461 817 HB3 LEU 103 HB2 LEU 103 7.135 -5.668 -1.454 818 HG LEU 103 HG LEU 103 4.855 -5.060 -0.418 819 HD11 LEU 103 HD11 LEU 103 4.219 -7.119 0.718 820 HD12 LEU 103 HD12 LEU 103 4.562 -5.897 1.933 821 HD13 LEU 103 HD13 LEU 103 5.764 -7.162 1.602 822 HD21 LEU 103 HD21 LEU 103 6.010 -4.028 1.535 823 HD22 LEU 103 HD22 LEU 103 6.994 -3.905 0.076 824 HD23 LEU 103 HD23 LEU 103 7.377 -5.131 1.306 825 H LEU 104 H LEU 104 5.492 -6.313 -4.537 826 HA LEU 104 HA LEU 104 7.465 -8.284 -5.564 827 HB2 LEU 104 HB1 LEU 104 5.501 -6.445 -6.967 828 HB3 LEU 104 HB2 LEU 104 6.504 -7.632 -7.781 829 HG LEU 104 HG LEU 104 4.201 -8.130 -5.856 830 HD11 LEU 104 HD11 LEU 104 3.132 -9.191 -7.797 831 HD12 LEU 104 HD12 LEU 104 4.555 -8.829 -8.798 832 HD13 LEU 104 HD13 LEU 104 3.556 -7.511 -8.150 833 HD21 LEU 104 HD21 LEU 104 5.843 -9.875 -5.392 834 HD22 LEU 104 HD22 LEU 104 6.051 -10.194 -7.131 835 HD23 LEU 104 HD23 LEU 104 4.513 -10.566 -6.321 836 H PHE 105 H PHE 105 9.518 -7.642 -5.589 837 HA PHE 105 HA PHE 105 10.128 -4.777 -6.105 838 HB2 PHE 105 HB1 PHE 105 11.836 -6.890 -4.802 839 HB3 PHE 105 HB2 PHE 105 12.227 -5.174 -4.968 840 HD1 PHE 105 HD2 PHE 105 10.871 -3.469 -3.668 841 HD2 PHE 105 HD1 PHE 105 10.505 -7.710 -2.988 842 HE1 PHE 105 HE2 PHE 105 9.961 -3.032 -1.408 843 HE2 PHE 105 HE1 PHE 105 9.631 -7.265 -0.715 844 HZ PHE 105 HZ PHE 105 9.403 -4.923 0.095 845 H ALA 106 H ALA 106 11.049 -4.263 -8.009 846 HA ALA 106 HA ALA 106 11.817 -6.189 -10.015 847 HB1 ALA 106 HB1 ALA 106 12.315 -3.189 -9.742 848 HB2 ALA 106 HB2 ALA 106 12.660 -4.149 -11.198 849 HB3 ALA 106 HB3 ALA 106 10.996 -4.009 -10.627 850 H GLY 107 H GLY 107 13.565 -4.946 -7.338 851 HA2 GLY 107 HA3 GLY 107 16.261 -5.377 -8.353 852 HA3 GLY 107 HA2 GLY 107 15.784 -5.073 -6.667 853 H GLY 108 H GLY 108 14.687 -7.701 -8.810 854 HA2 GLY 108 HA3 GLY 108 14.908 -9.963 -8.792 855 HA3 GLY 108 HA2 GLY 108 16.441 -9.722 -7.922 856 H LYS 109 H LYS 109 13.232 -8.823 -6.571 857 HA LYS 109 HA LYS 109 13.552 -10.987 -4.539 858 HB2 LYS 109 HB1 LYS 109 13.578 -8.005 -4.005 859 HB3 LYS 109 HB2 LYS 109 13.227 -9.202 -2.742 860 HG2 LYS 109 HG1 LYS 109 15.420 -10.196 -2.981 861 HG3 LYS 109 HG2 LYS 109 15.760 -9.183 -4.396 862 HD2 LYS 109 HD1 LYS 109 15.352 -7.176 -2.794 863 HD3 LYS 109 HD2 LYS 109 15.534 -8.369 -1.489 864 HE2 LYS 109 HE1 LYS 109 17.722 -7.605 -1.704 865 HE3 LYS 109 HE2 LYS 109 17.738 -9.004 -2.796 866 HZ1 LYS 109 HZ1 LYS 109 17.280 -7.382 -4.619 867 HZ2 LYS 109 HZ2 LYS 109 18.722 -7.113 -3.885 868 HZ3 LYS 109 HZ3 LYS 109 17.444 -6.142 -3.550 869 H VAL 110 H VAL 110 11.815 -11.444 -3.305 870 HA VAL 110 HA VAL 110 9.414 -9.792 -3.378 871 HB VAL 110 HB VAL 110 9.221 -12.772 -3.983 872 HG11 VAL 110 HG11 VAL 110 6.997 -10.756 -3.429 873 HG12 VAL 110 HG12 VAL 110 6.742 -12.383 -4.093 874 HG13 VAL 110 HG13 VAL 110 7.397 -12.199 -2.469 875 HG21 VAL 110 HG21 VAL 110 8.012 -12.050 -6.047 876 HG22 VAL 110 HG22 VAL 110 8.413 -10.363 -5.664 877 HG23 VAL 110 HG23 VAL 110 9.698 -11.539 -6.029 878 H LEU 111 H LEU 111 8.309 -9.892 -1.454 879 HA LEU 111 HA LEU 111 8.954 -11.852 0.632 880 HB2 LEU 111 HB1 LEU 111 9.442 -8.861 0.850 881 HB3 LEU 111 HB2 LEU 111 8.972 -9.772 2.292 882 HG LEU 111 HG LEU 111 11.366 -10.488 0.587 883 HD11 LEU 111 HD11 LEU 111 11.312 -8.816 3.125 884 HD12 LEU 111 HD12 LEU 111 11.637 -8.199 1.491 885 HD13 LEU 111 HD13 LEU 111 12.764 -9.339 2.246 886 HD21 LEU 111 HD21 LEU 111 10.583 -11.264 3.431 887 HD22 LEU 111 HD22 LEU 111 12.104 -11.703 2.626 888 HD23 LEU 111 HD23 LEU 111 10.576 -12.337 2.013 889 H LYS 112 H LYS 112 7.297 -11.549 2.467 890 HA LYS 112 HA LYS 112 4.905 -10.087 1.653 891 HB2 LYS 112 HB1 LYS 112 3.390 -11.814 1.396 892 HB3 LYS 112 HB2 LYS 112 4.797 -12.210 0.393 893 HG2 LYS 112 HG1 LYS 112 5.472 -13.828 2.279 894 HG3 LYS 112 HG2 LYS 112 3.845 -13.550 2.942 895 HD2 LYS 112 HD1 LYS 112 2.915 -14.136 0.643 896 HD3 LYS 112 HD2 LYS 112 4.578 -14.596 0.172 897 HE2 LYS 112 HE1 LYS 112 3.763 -16.650 0.723 898 HE3 LYS 112 HE2 LYS 112 4.399 -16.164 2.294 899 HZ1 LYS 112 HZ1 LYS 112 1.540 -15.844 1.443 900 HZ2 LYS 112 HZ2 LYS 112 2.070 -15.464 2.861 901 HZ3 LYS 112 HZ3 LYS 112 2.089 -17.041 2.432 902 H VAL 113 H VAL 113 3.256 -9.878 3.125 903 HA VAL 113 HA VAL 113 4.056 -10.164 6.006 904 HB VAL 113 HB VAL 113 2.839 -7.849 6.193 905 HG11 VAL 113 HG11 VAL 113 5.213 -8.247 6.713 906 HG12 VAL 113 HG12 VAL 113 5.627 -8.068 4.995 907 HG13 VAL 113 HG13 VAL 113 4.989 -6.681 5.917 908 HG21 VAL 113 HG21 VAL 113 3.118 -6.310 4.337 909 HG22 VAL 113 HG22 VAL 113 3.708 -7.620 3.299 910 HG23 VAL 113 HG23 VAL 113 2.035 -7.635 3.883 911 H VAL 114 H VAL 114 2.490 -10.529 7.432 912 HA VAL 114 HA VAL 114 -0.319 -10.864 6.523 913 HB VAL 114 HB VAL 114 0.685 -12.735 7.761 914 HG11 VAL 114 HG11 VAL 114 0.784 -10.887 10.185 915 HG12 VAL 114 HG12 VAL 114 1.148 -12.623 10.151 916 HG13 VAL 114 HG13 VAL 114 2.196 -11.490 9.285 917 HG21 VAL 114 HG21 VAL 114 -1.173 -13.139 9.271 918 HG22 VAL 114 HG22 VAL 114 -1.578 -11.413 9.317 919 HG23 VAL 114 HG23 VAL 114 -1.764 -12.335 7.807 920 H LEU 115 H LEU 115 -1.990 -9.664 7.487 921 HA LEU 115 HA LEU 115 -1.407 -7.531 9.355 922 HB2 LEU 115 HB1 LEU 115 -2.168 -5.733 7.879 923 HB3 LEU 115 HB2 LEU 115 -0.563 -6.364 7.538 924 HG LEU 115 HG LEU 115 -3.043 -7.090 5.906 925 HD11 LEU 115 HD11 LEU 115 -2.262 -5.348 4.312 926 HD12 LEU 115 HD12 LEU 115 -0.977 -4.880 5.446 927 HD13 LEU 115 HD13 LEU 115 -2.681 -4.638 5.873 928 HD21 LEU 115 HD21 LEU 115 -1.162 -8.613 5.531 929 HD22 LEU 115 HD22 LEU 115 -0.038 -7.261 5.378 930 HD23 LEU 115 HD23 LEU 115 -1.296 -7.546 4.143 931 HA PRO 116 HA PRO 116 -5.846 -8.121 10.025 932 HB2 PRO 116 HB1 PRO 116 -6.372 -6.144 11.787 933 HB3 PRO 116 HB2 PRO 116 -5.349 -7.545 12.231 934 HG2 PRO 116 HG1 PRO 116 -4.434 -4.812 11.272 935 HG3 PRO 116 HG2 PRO 116 -3.883 -5.708 12.731 936 HD2 PRO 116 HD1 PRO 116 -2.511 -5.792 10.369 937 HD3 PRO 116 HD2 PRO 116 -2.633 -7.222 11.433 938 H VAL 117 H VAL 117 -7.885 -6.981 9.632 939 HA VAL 117 HA VAL 117 -7.661 -4.526 7.911 940 HB VAL 117 HB VAL 117 -10.010 -6.426 8.238 941 HG11 VAL 117 HG11 VAL 117 -10.819 -5.354 6.172 942 HG12 VAL 117 HG12 VAL 117 -10.616 -4.178 7.481 943 HG13 VAL 117 HG13 VAL 117 -9.425 -4.259 6.173 944 HG21 VAL 117 HG21 VAL 117 -8.221 -7.720 7.207 945 HG22 VAL 117 HG22 VAL 117 -9.379 -7.278 5.961 946 HG23 VAL 117 HG23 VAL 117 -7.843 -6.419 6.082 947 H GLU 118 H GLU 118 -8.077 -2.637 8.946 948 HA GLU 118 HA GLU 118 -9.776 -2.636 11.404 949 HB2 GLU 118 HB1 GLU 118 -7.073 -1.331 10.997 950 HB3 GLU 118 HB2 GLU 118 -8.179 -1.039 12.367 951 HG2 GLU 118 HG1 GLU 118 -8.100 -3.535 12.823 952 HG3 GLU 118 HG2 GLU 118 -6.813 -3.662 11.612 953 H ALA 119 H ALA 119 -10.635 -0.529 12.009 954 HA ALA 119 HA ALA 119 -11.967 0.318 9.561 955 HB1 ALA 119 HB1 ALA 119 -13.189 -0.649 11.497 956 HB2 ALA 119 HB2 ALA 119 -12.692 0.741 12.492 957 HB3 ALA 119 HB3 ALA 119 -13.762 0.987 11.099 958 H ARG 120 H ARG 120 -9.789 1.635 9.172 959 HA ARG 120 HA ARG 120 -9.669 4.292 10.327 960 HB2 ARG 120 HB1 ARG 120 -7.695 3.288 9.374 961 HB3 ARG 120 HB2 ARG 120 -8.478 3.029 7.815 962 HG2 ARG 120 HG1 ARG 120 -8.273 5.829 8.931 963 HG3 ARG 120 HG2 ARG 120 -6.832 5.055 8.214 964 HD2 ARG 120 HD1 ARG 120 -7.836 4.872 6.095 965 HD3 ARG 120 HD2 ARG 120 -9.453 5.214 6.674 966 HE ARG 120 HE ARG 120 -7.311 7.135 6.120 967 HH11 ARG 120 HH12 ARG 120 -10.522 6.825 7.598 968 HH12 ARG 120 HH11 ARG 120 -10.998 8.392 7.088 969 HH21 ARG 120 HH22 ARG 120 -8.012 9.191 5.578 970 HH22 ARG 120 HH21 ARG 120 -9.607 9.702 6.042 Start of MODEL 27 1 H1 GLY 1 1H GLY 1 13.888 -4.849 10.380 2 H2 GLY 1 2H GLY 1 14.840 -5.366 9.178 3 H3 GLY 1 3H GLY 1 15.403 -5.375 10.736 4 HA2 GLY 1 HA3 GLY 1 14.831 -7.626 10.070 5 HA3 GLY 1 HA2 GLY 1 13.716 -7.037 11.324 6 H SER 2 H SER 2 11.610 -7.301 10.884 7 HA SER 2 HA SER 2 10.524 -6.520 8.309 8 HB2 SER 2 HB1 SER 2 9.211 -8.609 8.011 9 HB3 SER 2 HB2 SER 2 10.967 -8.848 7.815 10 HG SER 2 HG SER 2 9.337 -9.520 10.029 11 H PHE 3 H PHE 3 10.242 -4.974 10.311 12 HA PHE 3 HA PHE 3 8.891 -5.713 12.579 13 HB2 PHE 3 HB1 PHE 3 9.287 -3.047 11.237 14 HB3 PHE 3 HB2 PHE 3 8.533 -3.190 12.844 15 HD1 PHE 3 HD1 PHE 3 11.102 -5.692 12.686 16 HD2 PHE 3 HD2 PHE 3 10.416 -1.456 13.154 17 HE1 PHE 3 HE1 PHE 3 13.249 -5.474 13.890 18 HE2 PHE 3 HE2 PHE 3 12.576 -1.250 14.358 19 HZ PHE 3 HZ PHE 3 14.001 -3.252 14.717 20 H THR 4 H THR 4 7.087 -5.144 9.680 21 HA THR 4 HA THR 4 4.857 -5.504 9.286 22 HB THR 4 HB THR 4 5.123 -6.850 12.000 23 HG1 THR 4 HG1 THR 4 6.528 -7.577 10.383 24 HG21 THR 4 HG21 THR 4 2.931 -7.088 9.933 25 HG22 THR 4 HG22 THR 4 2.789 -6.943 11.692 26 HG23 THR 4 HG23 THR 4 3.381 -8.448 10.993 27 H GLU 5 H GLU 5 5.596 -2.951 10.855 28 HA GLU 5 HA GLU 5 3.289 -2.184 12.356 29 HB2 GLU 5 HB1 GLU 5 5.362 -0.467 10.952 30 HB3 GLU 5 HB2 GLU 5 4.303 0.070 12.261 31 HG2 GLU 5 HG1 GLU 5 5.550 -1.073 13.890 32 HG3 GLU 5 HG2 GLU 5 6.324 -2.143 12.700 33 H GLY 6 H GLY 6 1.849 -3.104 10.282 34 HA2 GLY 6 HA3 GLY 6 0.968 -0.685 8.799 35 HA3 GLY 6 HA2 GLY 6 1.462 -2.125 7.880 36 H TRP 7 H TRP 7 -1.038 -1.123 7.497 37 HA TRP 7 HA TRP 7 -2.737 -3.321 8.460 38 HB2 TRP 7 HB1 TRP 7 -4.265 -2.091 9.649 39 HB3 TRP 7 HB2 TRP 7 -2.718 -1.504 10.239 40 HD1 TRP 7 HD TRP 7 -5.936 -0.431 8.861 41 HE1 TRP 7 HE1 TRP 7 -6.090 2.088 8.984 42 HE3 TRP 7 3HE TRP 7 -0.951 0.643 9.324 43 HZ2 TRP 7 HZ2 TRP 7 -4.256 4.342 8.879 44 HZ3 TRP 7 HZ3 TRP 7 -0.182 2.986 9.325 45 HH2 TRP 7 HH TRP 7 -1.821 4.844 9.137 46 H VAL 8 H VAL 8 -5.062 -2.957 7.745 47 HA VAL 8 HA VAL 8 -5.242 -1.949 4.927 48 HB VAL 8 HB VAL 8 -6.623 -4.355 6.202 49 HG11 VAL 8 HG11 VAL 8 -7.411 -4.833 3.862 50 HG12 VAL 8 HG12 VAL 8 -8.115 -3.366 4.537 51 HG13 VAL 8 HG13 VAL 8 -6.785 -3.248 3.361 52 HG21 VAL 8 HG21 VAL 8 -4.445 -4.247 4.067 53 HG22 VAL 8 HG22 VAL 8 -4.276 -4.865 5.722 54 HG23 VAL 8 HG23 VAL 8 -5.313 -5.709 4.574 55 H ARG 9 H ARG 9 -6.982 -0.669 4.448 56 HA ARG 9 HA ARG 9 -8.941 0.014 6.584 57 HB2 ARG 9 HB1 ARG 9 -7.725 1.848 5.575 58 HB3 ARG 9 HB2 ARG 9 -8.229 1.382 3.955 59 HG2 ARG 9 HG1 ARG 9 -10.448 1.796 5.881 60 HG3 ARG 9 HG2 ARG 9 -9.479 3.250 5.576 61 HD2 ARG 9 HD1 ARG 9 -10.605 1.603 3.293 62 HD3 ARG 9 HD2 ARG 9 -11.583 2.825 4.155 63 HE ARG 9 HE ARG 9 -9.022 3.829 3.225 64 HH11 ARG 9 HH12 ARG 9 -12.341 3.217 2.087 65 HH12 ARG 9 HH11 ARG 9 -12.348 4.615 1.065 66 HH21 ARG 9 HH22 ARG 9 -9.099 5.613 1.813 67 HH22 ARG 9 HH21 ARG 9 -10.540 5.936 0.900 68 H PHE 10 H PHE 10 -10.639 -1.348 6.578 69 HA PHE 10 HA PHE 10 -11.888 -2.737 4.429 70 HB2 PHE 10 HB1 PHE 10 -12.529 -3.354 6.583 71 HB3 PHE 10 HB2 PHE 10 -12.733 -1.672 7.111 72 HD1 PHE 10 HD1 PHE 10 -14.722 -0.318 6.256 73 HD2 PHE 10 HD2 PHE 10 -14.445 -4.611 6.061 74 HE1 PHE 10 HE1 PHE 10 -17.167 -0.448 5.968 75 HE2 PHE 10 HE2 PHE 10 -16.923 -4.750 5.903 76 HZ PHE 10 HZ PHE 10 -18.288 -2.672 5.807 77 H SER 11 H SER 11 -13.635 -2.180 2.997 78 HA SER 11 HA SER 11 -15.169 0.206 3.410 79 HB2 SER 11 HB1 SER 11 -13.128 -0.036 1.177 80 HB3 SER 11 HB2 SER 11 -14.642 0.836 0.920 81 HG SER 11 HG SER 11 -13.116 1.273 3.230 82 HA PRO 12 HA PRO 12 -17.899 -2.710 1.361 83 HB2 PRO 12 HB1 PRO 12 -20.177 -1.298 1.174 84 HB3 PRO 12 HB2 PRO 12 -19.427 -1.620 2.769 85 HG2 PRO 12 HG1 PRO 12 -19.070 0.864 1.042 86 HG3 PRO 12 HG2 PRO 12 -19.629 0.804 2.749 87 HD2 PRO 12 HD1 PRO 12 -17.002 1.212 2.106 88 HD3 PRO 12 HD2 PRO 12 -17.475 0.228 3.522 89 H GLY 13 H GLY 13 -16.022 -1.812 -0.356 90 HA2 GLY 13 HA3 GLY 13 -17.442 -1.090 -2.882 91 HA3 GLY 13 HA2 GLY 13 -15.858 -0.401 -2.458 92 HA PRO 14 HA PRO 14 -15.310 -4.556 -4.796 93 HB2 PRO 14 HB1 PRO 14 -14.753 -3.598 -7.305 94 HB3 PRO 14 HB2 PRO 14 -16.399 -4.040 -6.776 95 HG2 PRO 14 HG1 PRO 14 -15.134 -1.289 -6.843 96 HG3 PRO 14 HG2 PRO 14 -16.759 -1.780 -7.442 97 HD2 PRO 14 HD1 PRO 14 -16.404 -0.620 -4.994 98 HD3 PRO 14 HD2 PRO 14 -17.619 -1.907 -5.248 99 H ASN 15 H ASN 15 -13.808 -1.408 -4.476 100 HA ASN 15 HA ASN 15 -11.178 -2.666 -4.382 101 HB2 ASN 15 HB1 ASN 15 -10.329 -0.337 -4.509 102 HB3 ASN 15 HB2 ASN 15 -11.181 -0.870 -5.953 103 HD21 ASN 15 HD21 ASN 15 -13.307 0.050 -6.409 104 HD22 ASN 15 HD22 ASN 15 -13.711 1.608 -5.694 105 H ALA 16 H ALA 16 -9.964 -2.419 -2.617 106 HA ALA 16 HA ALA 16 -10.870 -0.755 -0.293 107 HB1 ALA 16 HB1 ALA 16 -9.409 -3.435 -0.166 108 HB2 ALA 16 HB2 ALA 16 -9.806 -2.396 1.224 109 HB3 ALA 16 HB3 ALA 16 -11.103 -3.137 0.275 110 H ALA 17 H ALA 17 -8.613 -0.461 1.174 111 HA ALA 17 HA ALA 17 -6.322 0.123 -0.639 112 HB1 ALA 17 HB1 ALA 17 -6.131 2.423 0.182 113 HB2 ALA 17 HB2 ALA 17 -7.732 2.202 -0.557 114 HB3 ALA 17 HB3 ALA 17 -7.563 2.211 1.208 115 H ALA 18 H ALA 18 -4.293 0.050 0.463 116 HA ALA 18 HA ALA 18 -4.348 -0.482 3.406 117 HB1 ALA 18 HB1 ALA 18 -2.981 -2.480 3.073 118 HB2 ALA 18 HB2 ALA 18 -4.503 -2.632 2.177 119 HB3 ALA 18 HB3 ALA 18 -3.000 -2.236 1.312 120 H TYR 19 H TYR 19 -2.535 -0.192 4.554 121 HA TYR 19 HA TYR 19 -0.348 1.491 3.411 122 HB2 TYR 19 HB1 TYR 19 -1.639 1.843 6.126 123 HB3 TYR 19 HB2 TYR 19 -0.569 2.959 5.280 124 HD1 TYR 19 HD2 TYR 19 -1.556 3.826 2.933 125 HD2 TYR 19 HD1 TYR 19 -3.893 2.326 6.214 126 HE1 TYR 19 HE2 TYR 19 -3.542 5.108 2.104 127 HE2 TYR 19 HE1 TYR 19 -5.859 3.606 5.427 128 HH TYR 19 HH TYR 19 -6.570 5.197 3.963 129 H LEU 20 H LEU 20 0.822 -0.620 3.347 130 HA LEU 20 HA LEU 20 1.435 -1.961 5.841 131 HB2 LEU 20 HB1 LEU 20 2.858 -3.373 4.540 132 HB3 LEU 20 HB2 LEU 20 1.310 -3.105 3.700 133 HG LEU 20 HG LEU 20 2.739 -1.223 2.446 134 HD11 LEU 20 HD11 LEU 20 4.875 -3.223 3.286 135 HD12 LEU 20 HD12 LEU 20 4.835 -1.511 3.704 136 HD13 LEU 20 HD13 LEU 20 5.060 -1.975 2.025 137 HD21 LEU 20 HD21 LEU 20 2.874 -4.200 1.855 138 HD22 LEU 20 HD22 LEU 20 3.283 -2.918 0.695 139 HD23 LEU 20 HD23 LEU 20 1.628 -3.060 1.313 140 H THR 21 H THR 21 3.517 -2.163 6.835 141 HA THR 21 HA THR 21 5.608 -0.195 6.030 142 HB THR 21 HB THR 21 5.098 -1.185 8.834 143 HG1 THR 21 HG1 THR 21 4.027 0.576 8.851 144 HG21 THR 21 HG21 THR 21 6.977 0.414 9.410 145 HG22 THR 21 HG22 THR 21 7.398 0.462 7.684 146 HG23 THR 21 HG23 THR 21 7.500 -1.060 8.602 147 H LEU 22 H LEU 22 7.590 -1.044 5.803 148 HA LEU 22 HA LEU 22 8.349 -3.674 6.688 149 HB2 LEU 22 HB1 LEU 22 7.148 -3.666 4.197 150 HB3 LEU 22 HB2 LEU 22 8.852 -3.567 3.755 151 HG LEU 22 HG LEU 22 8.040 -5.856 3.728 152 HD11 LEU 22 HD11 LEU 22 9.711 -6.980 5.080 153 HD12 LEU 22 HD12 LEU 22 9.937 -5.543 6.087 154 HD13 LEU 22 HD13 LEU 22 10.407 -5.522 4.364 155 HD21 LEU 22 HD21 LEU 22 7.256 -7.070 5.654 156 HD22 LEU 22 HD22 LEU 22 6.260 -5.619 5.455 157 HD23 LEU 22 HD23 LEU 22 7.501 -5.678 6.722 158 H GLU 23 H GLU 23 10.807 -3.972 5.355 159 HA GLU 23 HA GLU 23 12.210 -1.374 5.803 160 HB2 GLU 23 HB1 GLU 23 12.808 -4.042 7.115 161 HB3 GLU 23 HB2 GLU 23 13.869 -2.620 7.171 162 HG2 GLU 23 HG1 GLU 23 12.292 -1.406 8.537 163 HG3 GLU 23 HG2 GLU 23 11.046 -2.659 8.333 164 H ASN 24 H ASN 24 14.057 -1.142 4.597 165 HA ASN 24 HA ASN 24 15.095 -3.459 3.032 166 HB2 ASN 24 HB1 ASN 24 14.760 -1.359 1.788 167 HB3 ASN 24 HB2 ASN 24 15.817 -0.503 2.923 168 HD21 ASN 24 HD21 ASN 24 16.877 -0.130 0.682 169 HD22 ASN 24 HD22 ASN 24 18.106 -1.308 0.220 170 HA PRO 25 HA PRO 25 17.874 -3.373 6.685 171 HB2 PRO 25 HB1 PRO 25 18.546 -6.011 6.753 172 HB3 PRO 25 HB2 PRO 25 16.940 -5.440 7.297 173 HG2 PRO 25 HG1 PRO 25 17.681 -6.530 4.556 174 HG3 PRO 25 HG2 PRO 25 16.342 -7.079 5.625 175 HD2 PRO 25 HD1 PRO 25 15.923 -5.277 3.626 176 HD3 PRO 25 HD2 PRO 25 15.099 -5.117 5.207 177 H GLY 26 H GLY 26 18.460 -3.985 3.311 178 HA2 GLY 26 HA3 GLY 26 21.227 -4.831 3.616 179 HA3 GLY 26 HA2 GLY 26 20.310 -4.591 2.111 180 H ASP 27 H ASP 27 22.633 -3.800 1.837 181 HA ASP 27 HA ASP 27 23.096 -0.975 2.507 182 HB2 ASP 27 HB1 ASP 27 24.741 -3.388 1.664 183 HB3 ASP 27 HB2 ASP 27 25.393 -1.760 1.866 184 H LEU 28 H LEU 28 21.744 -2.638 0.098 185 HA LEU 28 HA LEU 28 22.486 -0.746 -2.062 186 HB2 LEU 28 HB1 LEU 28 21.919 -2.478 -3.679 187 HB3 LEU 28 HB2 LEU 28 23.217 -2.976 -2.551 188 HG LEU 28 HG LEU 28 21.286 -4.217 -1.286 189 HD11 LEU 28 HD11 LEU 28 20.033 -3.940 -4.063 190 HD12 LEU 28 HD12 LEU 28 19.341 -3.359 -2.537 191 HD13 LEU 28 HD13 LEU 28 19.511 -5.087 -2.812 192 HD21 LEU 28 HD21 LEU 28 21.645 -6.210 -2.700 193 HD22 LEU 28 HD22 LEU 28 23.156 -5.323 -2.444 194 HD23 LEU 28 HD23 LEU 28 22.297 -5.183 -3.995 195 HA PRO 29 HA PRO 29 18.376 0.619 -1.703 196 HB2 PRO 29 HB1 PRO 29 17.706 1.654 -4.126 197 HB3 PRO 29 HB2 PRO 29 19.034 2.318 -3.128 198 HG2 PRO 29 HG1 PRO 29 19.230 0.396 -5.453 199 HG3 PRO 29 HG2 PRO 29 20.230 1.856 -5.130 200 HD2 PRO 29 HD1 PRO 29 20.999 -0.730 -4.491 201 HD3 PRO 29 HD2 PRO 29 21.551 0.685 -3.566 202 H LEU 30 H LEU 30 16.208 0.157 -1.916 203 HA LEU 30 HA LEU 30 15.397 -2.193 -3.557 204 HB2 LEU 30 HB1 LEU 30 14.976 -1.504 -0.691 205 HB3 LEU 30 HB2 LEU 30 13.535 -2.102 -1.527 206 HG LEU 30 HG LEU 30 14.835 -3.793 -0.268 207 HD11 LEU 30 HD11 LEU 30 14.415 -4.268 -3.235 208 HD12 LEU 30 HD12 LEU 30 13.284 -4.536 -1.887 209 HD13 LEU 30 HD13 LEU 30 14.712 -5.551 -2.035 210 HD21 LEU 30 HD21 LEU 30 17.152 -3.024 -0.980 211 HD22 LEU 30 HD22 LEU 30 16.825 -3.753 -2.562 212 HD23 LEU 30 HD23 LEU 30 16.852 -4.767 -1.105 213 H ARG 31 H ARG 31 13.126 -2.248 -3.971 214 HA ARG 31 HA ARG 31 11.850 0.357 -4.557 215 HB2 ARG 31 HB1 ARG 31 13.691 -0.010 -6.249 216 HB3 ARG 31 HB2 ARG 31 12.811 -1.452 -6.805 217 HG2 ARG 31 HG1 ARG 31 10.929 -0.102 -7.515 218 HG3 ARG 31 HG2 ARG 31 11.611 1.350 -6.736 219 HD2 ARG 31 HD1 ARG 31 12.871 -0.098 -9.090 220 HD3 ARG 31 HD2 ARG 31 11.893 1.388 -9.186 221 HE ARG 31 HE ARG 31 13.797 1.978 -7.290 222 HH11 ARG 31 HH12 ARG 31 14.194 0.974 -10.643 223 HH12 ARG 31 HH11 ARG 31 15.824 1.608 -10.702 224 HH21 ARG 31 HH22 ARG 31 15.747 2.814 -7.423 225 HH22 ARG 31 HH21 ARG 31 16.705 2.672 -8.869 226 H LEU 32 H LEU 32 9.721 0.060 -4.389 227 HA LEU 32 HA LEU 32 8.570 -2.689 -4.420 228 HB2 LEU 32 HB1 LEU 32 8.497 -1.433 -2.344 229 HB3 LEU 32 HB2 LEU 32 7.730 -0.052 -3.158 230 HG LEU 32 HG LEU 32 5.673 -1.258 -3.443 231 HD11 LEU 32 HD11 LEU 32 6.364 -3.502 -3.959 232 HD12 LEU 32 HD12 LEU 32 5.427 -3.600 -2.469 233 HD13 LEU 32 HD13 LEU 32 7.207 -3.674 -2.404 234 HD21 LEU 32 HD21 LEU 32 6.792 -1.754 -0.653 235 HD22 LEU 32 HD22 LEU 32 5.081 -1.620 -1.081 236 HD23 LEU 32 HD23 LEU 32 6.150 -0.210 -1.239 237 H VAL 33 H VAL 33 7.573 -3.223 -6.269 238 HA VAL 33 HA VAL 33 6.584 -1.033 -8.069 239 HB VAL 33 HB VAL 33 7.107 -2.414 -9.946 240 HG11 VAL 33 HG11 VAL 33 9.005 -1.110 -8.969 241 HG12 VAL 33 HG12 VAL 33 9.495 -2.540 -8.047 242 HG13 VAL 33 HG13 VAL 33 9.535 -2.564 -9.817 243 HG21 VAL 33 HG21 VAL 33 8.179 -4.598 -9.843 244 HG22 VAL 33 HG22 VAL 33 8.113 -4.604 -8.078 245 HG23 VAL 33 HG23 VAL 33 6.615 -4.695 -9.033 246 H GLY 34 H GLY 34 5.581 -3.829 -6.268 247 HA2 GLY 34 HA3 GLY 34 2.844 -3.714 -7.240 248 HA3 GLY 34 HA2 GLY 34 3.716 -5.191 -7.710 249 H ALA 35 H ALA 35 1.718 -5.884 -6.399 250 HA ALA 35 HA ALA 35 2.876 -6.978 -3.967 251 HB1 ALA 35 HB1 ALA 35 0.296 -5.371 -3.886 252 HB2 ALA 35 HB2 ALA 35 0.869 -6.429 -2.581 253 HB3 ALA 35 HB3 ALA 35 1.806 -5.006 -3.039 254 H ARG 36 H ARG 36 1.078 -8.568 -2.964 255 HA ARG 36 HA ARG 36 -0.626 -9.930 -4.942 256 HB2 ARG 36 HB1 ARG 36 1.790 -11.244 -3.627 257 HB3 ARG 36 HB2 ARG 36 0.490 -12.163 -4.390 258 HG2 ARG 36 HG1 ARG 36 2.208 -10.193 -5.918 259 HG3 ARG 36 HG2 ARG 36 2.665 -11.909 -5.657 260 HD2 ARG 36 HD1 ARG 36 1.696 -11.575 -7.866 261 HD3 ARG 36 HD2 ARG 36 0.741 -12.675 -6.858 262 HE ARG 36 HE ARG 36 -0.052 -9.808 -7.034 263 HH11 ARG 36 HH12 ARG 36 -0.852 -13.180 -8.066 264 HH12 ARG 36 HH11 ARG 36 -2.494 -12.657 -8.454 265 HH21 ARG 36 HH22 ARG 36 -2.271 -9.411 -7.785 266 HH22 ARG 36 HH21 ARG 36 -3.185 -10.794 -8.288 267 H THR 37 H THR 37 -2.250 -11.160 -3.831 268 HA THR 37 HA THR 37 -2.140 -11.520 -0.940 269 HB THR 37 HB THR 37 -2.536 -9.224 -0.816 270 HG1 THR 37 HG1 THR 37 -3.900 -9.978 0.546 271 HG21 THR 37 HG21 THR 37 -3.193 -8.611 -3.093 272 HG22 THR 37 HG22 THR 37 -4.431 -8.068 -1.963 273 HG23 THR 37 HG23 THR 37 -4.711 -9.525 -2.938 274 HA PRO 38 HA PRO 38 -5.299 -14.395 -2.301 275 HB2 PRO 38 HB1 PRO 38 -6.338 -15.271 0.050 276 HB3 PRO 38 HB2 PRO 38 -4.652 -15.594 -0.485 277 HG2 PRO 38 HG1 PRO 38 -5.583 -13.464 1.434 278 HG3 PRO 38 HG2 PRO 38 -4.245 -14.651 1.651 279 HD2 PRO 38 HD1 PRO 38 -3.855 -12.090 0.728 280 HD3 PRO 38 HD2 PRO 38 -2.839 -13.445 0.188 281 H VAL 39 H VAL 39 -6.076 -11.436 -0.922 282 HA VAL 39 HA VAL 39 -9.013 -11.853 -1.406 283 HB VAL 39 HB VAL 39 -9.550 -10.225 0.284 284 HG11 VAL 39 HG11 VAL 39 -7.665 -12.316 1.426 285 HG12 VAL 39 HG12 VAL 39 -9.083 -11.581 2.200 286 HG13 VAL 39 HG13 VAL 39 -9.286 -12.649 0.797 287 HG21 VAL 39 HG21 VAL 39 -7.441 -8.830 0.171 288 HG22 VAL 39 HG22 VAL 39 -7.895 -9.312 1.814 289 HG23 VAL 39 HG23 VAL 39 -6.584 -10.164 0.968 290 H ALA 40 H ALA 40 -7.159 -10.949 -3.465 291 HA ALA 40 HA ALA 40 -8.875 -9.144 -4.865 292 HB1 ALA 40 HB1 ALA 40 -7.973 -7.394 -3.443 293 HB2 ALA 40 HB2 ALA 40 -6.303 -7.901 -3.801 294 HB3 ALA 40 HB3 ALA 40 -7.334 -7.224 -5.074 295 H GLU 41 H GLU 41 -7.787 -8.611 -7.044 296 HA GLU 41 HA GLU 41 -5.546 -10.518 -7.598 297 HB2 GLU 41 HB1 GLU 41 -7.732 -11.271 -8.651 298 HB3 GLU 41 HB2 GLU 41 -7.621 -9.846 -9.699 299 HG2 GLU 41 HG1 GLU 41 -6.667 -11.772 -10.855 300 HG3 GLU 41 HG2 GLU 41 -5.350 -10.660 -10.472 301 H ARG 42 H ARG 42 -7.181 -7.477 -8.559 302 HA ARG 42 HA ARG 42 -4.696 -6.359 -9.651 303 HB2 ARG 42 HB1 ARG 42 -7.600 -5.580 -9.533 304 HB3 ARG 42 HB2 ARG 42 -6.366 -4.298 -9.592 305 HG2 ARG 42 HG1 ARG 42 -5.395 -5.322 -11.623 306 HG3 ARG 42 HG2 ARG 42 -6.648 -6.581 -11.597 307 HD2 ARG 42 HD1 ARG 42 -8.388 -4.967 -11.985 308 HD3 ARG 42 HD2 ARG 42 -7.296 -3.605 -11.708 309 HE ARG 42 HE ARG 42 -7.461 -5.342 -14.105 310 HH11 ARG 42 HH12 ARG 42 -5.639 -2.762 -12.497 311 HH12 ARG 42 HH11 ARG 42 -4.929 -2.200 -13.972 312 HH21 ARG 42 HH22 ARG 42 -6.474 -4.583 -16.002 313 HH22 ARG 42 HH21 ARG 42 -5.354 -3.253 -15.904 314 H VAL 43 H VAL 43 -3.754 -4.784 -8.612 315 HA VAL 43 HA VAL 43 -4.146 -3.979 -5.905 316 HB VAL 43 HB VAL 43 -3.639 -6.202 -5.519 317 HG11 VAL 43 HG11 VAL 43 -1.908 -6.703 -7.262 318 HG12 VAL 43 HG12 VAL 43 -0.704 -5.858 -6.265 319 HG13 VAL 43 HG13 VAL 43 -1.524 -7.300 -5.643 320 HG21 VAL 43 HG21 VAL 43 -1.620 -4.303 -4.313 321 HG22 VAL 43 HG22 VAL 43 -3.293 -4.547 -3.795 322 HG23 VAL 43 HG23 VAL 43 -2.117 -5.857 -3.599 323 H GLU 44 H GLU 44 -4.026 -2.253 -7.078 324 HA GLU 44 HA GLU 44 -1.447 -1.465 -8.395 325 HB2 GLU 44 HB1 GLU 44 -4.293 -0.532 -8.780 326 HB3 GLU 44 HB2 GLU 44 -2.875 0.397 -9.376 327 HG2 GLU 44 HG1 GLU 44 -3.395 -0.819 -11.231 328 HG3 GLU 44 HG2 GLU 44 -2.165 -1.845 -10.503 329 H LEU 45 H LEU 45 -0.183 0.151 -7.699 330 HA LEU 45 HA LEU 45 -0.987 1.361 -5.151 331 HB2 LEU 45 HB1 LEU 45 1.179 1.938 -4.685 332 HB3 LEU 45 HB2 LEU 45 1.199 0.281 -5.227 333 HG LEU 45 HG LEU 45 2.029 2.720 -6.825 334 HD11 LEU 45 HD11 LEU 45 3.741 0.589 -5.456 335 HD12 LEU 45 HD12 LEU 45 3.451 2.240 -4.860 336 HD13 LEU 45 HD13 LEU 45 4.322 1.998 -6.376 337 HD21 LEU 45 HD21 LEU 45 3.185 0.951 -8.306 338 HD22 LEU 45 HD22 LEU 45 1.422 0.900 -8.392 339 HD23 LEU 45 HD23 LEU 45 2.303 -0.297 -7.410 340 H HIS 46 H HIS 46 -1.306 3.233 -4.642 341 HA HIS 46 HA HIS 46 -1.127 5.498 -6.570 342 HB2 HIS 46 HB1 HIS 46 -2.942 5.034 -4.183 343 HB3 HIS 46 HB2 HIS 46 -3.029 6.421 -5.243 344 HD2 HIS 46 HD2 HIS 46 -2.742 3.870 -7.751 345 HE1 HIS 46 HE1 HIS 46 -6.663 3.101 -6.320 346 HE2 HIS 46 HE2 HIS 46 -4.973 2.592 -8.207 347 H GLU 47 H GLU 47 -0.749 7.427 -5.762 348 HA GLU 47 HA GLU 47 0.607 7.727 -3.120 349 HB2 GLU 47 HB1 GLU 47 1.479 9.794 -3.919 350 HB3 GLU 47 HB2 GLU 47 1.846 8.432 -5.043 351 HG2 GLU 47 HG1 GLU 47 1.485 10.352 -6.349 352 HG3 GLU 47 HG2 GLU 47 0.131 9.256 -6.599 353 H THR 48 H THR 48 -0.013 10.123 -2.253 354 HA THR 48 HA THR 48 -2.767 10.953 -2.758 355 HB THR 48 HB THR 48 -1.941 9.807 -0.048 356 HG1 THR 48 HG1 THR 48 -2.995 8.815 -2.071 357 HG21 THR 48 HG21 THR 48 -4.414 11.469 -0.743 358 HG22 THR 48 HG22 THR 48 -3.151 11.893 0.440 359 HG23 THR 48 HG23 THR 48 -4.207 10.505 0.740 360 H PHE 49 H PHE 49 -2.976 13.131 -2.319 361 HA PHE 49 HA PHE 49 -0.707 14.569 -1.081 362 HB2 PHE 49 HB1 PHE 49 -0.215 15.822 -3.070 363 HB3 PHE 49 HB2 PHE 49 -0.017 14.097 -3.374 364 HD1 PHE 49 HD1 PHE 49 -2.073 12.905 -4.583 365 HD2 PHE 49 HD2 PHE 49 -1.318 17.142 -4.655 366 HE1 PHE 49 HE1 PHE 49 -3.322 13.073 -6.657 367 HE2 PHE 49 HE2 PHE 49 -2.613 17.316 -6.761 368 HZ PHE 49 HZ PHE 49 -3.632 15.265 -7.776 369 H MET 50 H MET 50 -0.892 16.953 -1.386 370 HA MET 50 HA MET 50 -3.662 17.982 -1.125 371 HB2 MET 50 HB1 MET 50 -2.502 18.179 1.000 372 HB3 MET 50 HB2 MET 50 -1.098 18.936 0.225 373 HG2 MET 50 HG1 MET 50 -2.312 20.893 -0.312 374 HG3 MET 50 HG2 MET 50 -3.870 20.103 -0.020 375 HE1 MET 50 HE1 MET 50 -1.528 22.670 1.162 376 HE2 MET 50 HE2 MET 50 -1.268 22.405 2.897 377 HE3 MET 50 HE3 MET 50 -0.526 21.308 1.720 378 H ARG 51 H ARG 51 -4.169 19.696 -2.338 379 HA ARG 51 HA ARG 51 -2.274 21.053 -4.152 380 HB2 ARG 51 HB1 ARG 51 -3.809 20.488 -6.095 381 HB3 ARG 51 HB2 ARG 51 -2.810 19.151 -5.492 382 HG2 ARG 51 HG1 ARG 51 -4.644 18.060 -4.507 383 HG3 ARG 51 HG2 ARG 51 -5.648 19.530 -4.496 384 HD2 ARG 51 HD1 ARG 51 -5.797 19.425 -6.970 385 HD3 ARG 51 HD2 ARG 51 -4.933 17.873 -6.924 386 HE ARG 51 HE ARG 51 -6.877 17.294 -5.215 387 HH11 ARG 51 HH12 ARG 51 -7.404 19.161 -8.184 388 HH12 ARG 51 HH11 ARG 51 -9.076 18.692 -8.252 389 HH21 ARG 51 HH22 ARG 51 -8.961 16.906 -5.253 390 HH22 ARG 51 HH21 ARG 51 -9.988 17.461 -6.557 391 H GLU 52 H GLU 52 -3.200 22.996 -5.146 392 HA GLU 52 HA GLU 52 -5.559 24.086 -3.879 393 HB2 GLU 52 HB1 GLU 52 -3.098 25.009 -4.676 394 HB3 GLU 52 HB2 GLU 52 -4.069 25.462 -6.086 395 HG2 GLU 52 HG1 GLU 52 -3.987 27.281 -4.456 396 HG3 GLU 52 HG2 GLU 52 -5.629 26.626 -4.638 397 H VAL 53 H VAL 53 -7.468 24.600 -4.904 398 HA VAL 53 HA VAL 53 -7.646 24.416 -7.869 399 HB VAL 53 HB VAL 53 -9.685 23.173 -5.960 400 HG11 VAL 53 HG11 VAL 53 -10.861 24.277 -7.804 401 HG12 VAL 53 HG12 VAL 53 -9.774 23.530 -8.996 402 HG13 VAL 53 HG13 VAL 53 -10.907 22.535 -8.055 403 HG21 VAL 53 HG21 VAL 53 -7.993 21.870 -8.143 404 HG22 VAL 53 HG22 VAL 53 -7.790 21.641 -6.394 405 HG23 VAL 53 HG23 VAL 53 -9.261 21.076 -7.181 406 H GLU 54 H GLU 54 -8.321 26.306 -8.568 407 HA GLU 54 HA GLU 54 -9.109 28.401 -8.760 408 HB2 GLU 54 HB1 GLU 54 -11.135 27.598 -6.658 409 HB3 GLU 54 HB2 GLU 54 -11.276 29.013 -7.713 410 HG2 GLU 54 HG1 GLU 54 -11.938 27.759 -9.544 411 HG3 GLU 54 HG2 GLU 54 -11.198 26.260 -8.934 412 H GLY 55 H GLY 55 -7.319 27.702 -6.308 413 HA2 GLY 55 HA3 GLY 55 -6.141 29.145 -4.809 414 HA3 GLY 55 HA2 GLY 55 -7.428 30.358 -4.987 415 H LYS 56 H LYS 56 -8.339 27.042 -4.332 416 HA LYS 56 HA LYS 56 -8.399 27.479 -1.413 417 HB2 LYS 56 HB1 LYS 56 -10.557 25.967 -2.936 418 HB3 LYS 56 HB2 LYS 56 -10.487 26.295 -1.186 419 HG2 LYS 56 HG1 LYS 56 -11.877 27.997 -1.597 420 HG3 LYS 56 HG2 LYS 56 -10.498 28.852 -2.300 421 HD2 LYS 56 HD1 LYS 56 -12.205 28.977 -3.950 422 HD3 LYS 56 HD2 LYS 56 -11.122 27.688 -4.509 423 HE2 LYS 56 HE1 LYS 56 -12.703 26.041 -3.345 424 HE3 LYS 56 HE2 LYS 56 -13.799 27.409 -3.067 425 HZ1 LYS 56 HZ1 LYS 56 -13.769 27.627 -5.632 426 HZ2 LYS 56 HZ2 LYS 56 -14.498 26.287 -5.061 427 HZ3 LYS 56 HZ3 LYS 56 -13.026 26.220 -5.694 428 H LYS 57 H LYS 57 -7.193 25.974 -0.480 429 HA LYS 57 HA LYS 57 -6.050 23.813 -1.705 430 HB2 LYS 57 HB1 LYS 57 -5.057 23.361 0.420 431 HB3 LYS 57 HB2 LYS 57 -5.183 25.128 0.182 432 HG2 LYS 57 HG1 LYS 57 -5.873 25.029 2.346 433 HG3 LYS 57 HG2 LYS 57 -7.442 24.771 1.584 434 HD2 LYS 57 HD1 LYS 57 -6.652 22.198 1.709 435 HD3 LYS 57 HD2 LYS 57 -5.606 22.850 2.996 436 HE2 LYS 57 HE1 LYS 57 -7.528 22.200 4.186 437 HE3 LYS 57 HE2 LYS 57 -7.820 23.928 3.891 438 HZ1 LYS 57 HZ1 LYS 57 -9.797 22.805 3.256 439 HZ2 LYS 57 HZ2 LYS 57 -8.985 21.602 2.475 440 HZ3 LYS 57 HZ3 LYS 57 -9.035 23.081 1.819 441 H VAL 58 H VAL 58 -6.420 21.756 -1.841 442 HA VAL 58 HA VAL 58 -8.507 20.283 -0.365 443 HB VAL 58 HB VAL 58 -9.606 21.471 -2.306 444 HG11 VAL 58 HG11 VAL 58 -7.811 21.260 -3.983 445 HG12 VAL 58 HG12 VAL 58 -8.069 19.502 -4.043 446 HG13 VAL 58 HG13 VAL 58 -9.348 20.608 -4.571 447 HG21 VAL 58 HG21 VAL 58 -11.068 19.720 -2.905 448 HG22 VAL 58 HG22 VAL 58 -9.874 18.464 -2.577 449 HG23 VAL 58 HG23 VAL 58 -10.560 19.413 -1.236 450 H MET 59 H MET 59 -8.525 17.897 -1.535 451 HA MET 59 HA MET 59 -5.640 17.095 -1.689 452 HB2 MET 59 HB1 MET 59 -7.977 15.767 -0.299 453 HB3 MET 59 HB2 MET 59 -6.400 14.972 -0.602 454 HG2 MET 59 HG1 MET 59 -6.153 15.788 1.538 455 HG3 MET 59 HG2 MET 59 -5.319 16.975 0.540 456 HE1 MET 59 HE1 MET 59 -6.224 19.510 3.025 457 HE2 MET 59 HE2 MET 59 -5.042 18.385 2.347 458 HE3 MET 59 HE3 MET 59 -5.702 19.683 1.329 459 H GLY 60 H GLY 60 -5.261 14.956 -2.616 460 HA2 GLY 60 HA3 GLY 60 -6.998 14.164 -4.845 461 HA3 GLY 60 HA2 GLY 60 -5.398 14.816 -5.269 462 H MET 61 H MET 61 -6.010 12.316 -6.031 463 HA MET 61 HA MET 61 -3.847 10.773 -4.862 464 HB2 MET 61 HB1 MET 61 -5.550 9.920 -3.451 465 HB3 MET 61 HB2 MET 61 -6.767 10.008 -4.744 466 HG2 MET 61 HG1 MET 61 -5.289 8.191 -5.876 467 HG3 MET 61 HG2 MET 61 -4.640 7.956 -4.268 468 HE1 MET 61 HE1 MET 61 -8.126 8.874 -3.298 469 HE2 MET 61 HE2 MET 61 -8.473 7.235 -2.685 470 HE3 MET 61 HE3 MET 61 -6.937 8.038 -2.252 471 H ARG 62 H ARG 62 -2.854 9.723 -6.332 472 HA ARG 62 HA ARG 62 -3.911 9.228 -9.072 473 HB2 ARG 62 HB1 ARG 62 -1.569 10.870 -8.073 474 HB3 ARG 62 HB2 ARG 62 -1.527 10.201 -9.703 475 HG2 ARG 62 HG1 ARG 62 -3.612 12.127 -8.628 476 HG3 ARG 62 HG2 ARG 62 -2.199 12.556 -9.617 477 HD2 ARG 62 HD1 ARG 62 -3.922 12.546 -11.185 478 HD3 ARG 62 HD2 ARG 62 -3.269 10.916 -11.375 479 HE ARG 62 HE ARG 62 -5.228 10.835 -9.343 480 HH11 ARG 62 HH12 ARG 62 -5.346 11.457 -12.833 481 HH12 ARG 62 HH11 ARG 62 -7.002 10.928 -12.947 482 HH21 ARG 62 HH22 ARG 62 -7.217 10.172 -9.519 483 HH22 ARG 62 HH21 ARG 62 -8.098 10.215 -11.029 484 HA PRO 63 HA PRO 63 -1.645 5.412 -8.531 485 HB2 PRO 63 HB1 PRO 63 -1.266 4.543 -11.059 486 HB3 PRO 63 HB2 PRO 63 -2.898 4.632 -10.331 487 HG2 PRO 63 HG1 PRO 63 -1.559 6.669 -12.137 488 HG3 PRO 63 HG2 PRO 63 -3.211 5.972 -12.293 489 HD2 PRO 63 HD1 PRO 63 -2.738 8.400 -11.093 490 HD3 PRO 63 HD2 PRO 63 -4.027 7.298 -10.525 491 H VAL 64 H VAL 64 0.573 4.546 -8.649 492 HA VAL 64 HA VAL 64 2.496 6.314 -10.109 493 HB VAL 64 HB VAL 64 4.106 6.273 -8.251 494 HG11 VAL 64 HG11 VAL 64 3.154 8.073 -6.986 495 HG12 VAL 64 HG12 VAL 64 2.638 8.227 -8.668 496 HG13 VAL 64 HG13 VAL 64 1.506 7.594 -7.450 497 HG21 VAL 64 HG21 VAL 64 3.437 4.404 -6.918 498 HG22 VAL 64 HG22 VAL 64 3.354 5.862 -5.934 499 HG23 VAL 64 HG23 VAL 64 1.853 5.148 -6.554 500 HA PRO 65 HA PRO 65 3.906 2.547 -11.654 501 HB2 PRO 65 HB1 PRO 65 6.414 3.015 -12.526 502 HB3 PRO 65 HB2 PRO 65 5.005 3.912 -13.174 503 HG2 PRO 65 HG1 PRO 65 6.931 4.798 -11.007 504 HG3 PRO 65 HG2 PRO 65 6.398 5.720 -12.460 505 HD2 PRO 65 HD1 PRO 65 5.232 6.044 -9.998 506 HD3 PRO 65 HD2 PRO 65 4.291 6.154 -11.507 507 H PHE 66 H PHE 66 5.781 3.776 -8.998 508 HA PHE 66 HA PHE 66 6.038 1.347 -7.609 509 HB2 PHE 66 HB1 PHE 66 8.433 0.942 -7.716 510 HB3 PHE 66 HB2 PHE 66 7.682 0.676 -9.282 511 HD1 PHE 66 HD2 PHE 66 9.844 2.898 -7.282 512 HD2 PHE 66 HD1 PHE 66 8.181 2.147 -11.169 513 HE1 PHE 66 HE2 PHE 66 11.297 4.642 -8.186 514 HE2 PHE 66 HE1 PHE 66 9.755 3.840 -12.152 515 HZ PHE 66 HZ PHE 66 11.313 5.093 -10.664 516 H LEU 67 H LEU 67 7.441 1.615 -5.705 517 HA LEU 67 HA LEU 67 8.072 4.463 -5.005 518 HB2 LEU 67 HB1 LEU 67 7.736 2.154 -3.055 519 HB3 LEU 67 HB2 LEU 67 7.863 3.867 -2.665 520 HG LEU 67 HG LEU 67 5.512 2.343 -3.830 521 HD11 LEU 67 HD11 LEU 67 5.863 4.018 -1.314 522 HD12 LEU 67 HD12 LEU 67 5.998 2.252 -1.396 523 HD13 LEU 67 HD13 LEU 67 4.439 3.025 -1.751 524 HD21 LEU 67 HD21 LEU 67 5.727 5.364 -3.438 525 HD22 LEU 67 HD22 LEU 67 4.238 4.458 -3.828 526 HD23 LEU 67 HD23 LEU 67 5.547 4.536 -4.996 527 H GLU 68 H GLU 68 10.007 4.783 -3.853 528 HA GLU 68 HA GLU 68 12.131 2.762 -4.457 529 HB2 GLU 68 HB1 GLU 68 12.384 4.802 -5.834 530 HB3 GLU 68 HB2 GLU 68 12.309 5.806 -4.363 531 HG2 GLU 68 HG1 GLU 68 14.585 5.703 -4.920 532 HG3 GLU 68 HG2 GLU 68 14.425 4.586 -3.570 533 H VAL 69 H VAL 69 13.516 2.256 -2.756 534 HA VAL 69 HA VAL 69 13.371 3.971 -0.373 535 HB VAL 69 HB VAL 69 13.131 0.915 -0.154 536 HG11 VAL 69 HG11 VAL 69 12.685 1.347 2.258 537 HG12 VAL 69 HG12 VAL 69 14.294 1.885 1.797 538 HG13 VAL 69 HG13 VAL 69 12.994 3.076 2.012 539 HG21 VAL 69 HG21 VAL 69 10.830 1.410 0.778 540 HG22 VAL 69 HG22 VAL 69 11.025 3.091 0.305 541 HG23 VAL 69 HG23 VAL 69 10.976 1.804 -0.928 542 HA PRO 70 HA PRO 70 17.770 3.377 -0.826 543 HB2 PRO 70 HB1 PRO 70 18.679 4.799 1.327 544 HB3 PRO 70 HB2 PRO 70 17.974 5.579 -0.122 545 HG2 PRO 70 HG1 PRO 70 16.574 4.892 2.481 546 HG3 PRO 70 HG2 PRO 70 16.576 6.468 1.610 547 HD2 PRO 70 HD1 PRO 70 14.549 4.677 1.311 548 HD3 PRO 70 HD2 PRO 70 15.144 5.628 -0.079 549 HA PRO 71 HA PRO 71 19.032 0.086 2.034 550 HB2 PRO 71 HB1 PRO 71 21.577 0.863 2.766 551 HB3 PRO 71 HB2 PRO 71 21.106 -0.009 1.270 552 HG2 PRO 71 HG1 PRO 71 21.635 2.932 1.623 553 HG3 PRO 71 HG2 PRO 71 22.141 1.847 0.272 554 HD2 PRO 71 HD1 PRO 71 19.988 3.493 0.058 555 HD3 PRO 71 HD2 PRO 71 20.013 1.861 -0.674 556 H LYS 72 H LYS 72 18.827 -0.329 4.165 557 HA LYS 72 HA LYS 72 18.271 -0.059 6.331 558 HB2 LYS 72 HB1 LYS 72 19.610 2.632 6.387 559 HB3 LYS 72 HB2 LYS 72 19.425 1.459 7.702 560 HG2 LYS 72 HG1 LYS 72 21.225 1.216 5.265 561 HG3 LYS 72 HG2 LYS 72 21.715 1.556 6.933 562 HD2 LYS 72 HD1 LYS 72 21.173 -0.705 7.619 563 HD3 LYS 72 HD2 LYS 72 20.370 -1.042 6.062 564 HE2 LYS 72 HE1 LYS 72 22.510 -0.676 4.884 565 HE3 LYS 72 HE2 LYS 72 23.344 -0.441 6.419 566 HZ1 LYS 72 HZ1 LYS 72 23.517 -2.687 5.479 567 HZ2 LYS 72 HZ2 LYS 72 21.904 -2.913 5.629 568 HZ3 LYS 72 HZ3 LYS 72 22.837 -2.725 6.975 569 H GLY 73 H GLY 73 16.970 1.760 4.031 570 HA2 GLY 73 HA3 GLY 73 15.264 3.587 5.497 571 HA3 GLY 73 HA2 GLY 73 15.109 3.136 3.784 572 H ARG 74 H ARG 74 12.914 3.536 5.485 573 HA ARG 74 HA ARG 74 11.822 0.826 6.101 574 HB2 ARG 74 HB1 ARG 74 11.045 3.552 7.181 575 HB3 ARG 74 HB2 ARG 74 10.155 2.040 7.488 576 HG2 ARG 74 HG1 ARG 74 12.198 1.084 8.534 577 HG3 ARG 74 HG2 ARG 74 13.009 2.650 8.348 578 HD2 ARG 74 HD1 ARG 74 10.559 2.156 10.017 579 HD3 ARG 74 HD2 ARG 74 12.214 2.387 10.612 580 HE ARG 74 HE ARG 74 12.116 4.691 9.850 581 HH11 ARG 74 HH12 ARG 74 8.879 3.162 10.073 582 HH12 ARG 74 HH11 ARG 74 8.142 4.611 9.382 583 HH21 ARG 74 HH22 ARG 74 10.868 6.587 9.279 584 HH22 ARG 74 HH21 ARG 74 9.143 6.345 9.027 585 H VAL 75 H VAL 75 10.116 0.167 5.070 586 HA VAL 75 HA VAL 75 9.210 1.599 2.637 587 HB VAL 75 HB VAL 75 8.662 -1.288 3.416 588 HG11 VAL 75 HG11 VAL 75 7.366 -0.429 1.480 589 HG12 VAL 75 HG12 VAL 75 8.873 0.059 0.684 590 HG13 VAL 75 HG13 VAL 75 8.535 -1.659 0.980 591 HG21 VAL 75 HG21 VAL 75 11.124 -1.001 3.537 592 HG22 VAL 75 HG22 VAL 75 10.628 -2.042 2.205 593 HG23 VAL 75 HG23 VAL 75 11.130 -0.376 1.897 594 H GLU 76 H GLU 76 8.173 2.912 4.525 595 HA GLU 76 HA GLU 76 5.623 1.845 5.601 596 HB2 GLU 76 HB1 GLU 76 5.695 4.127 6.803 597 HB3 GLU 76 HB2 GLU 76 6.755 2.780 7.316 598 HG2 GLU 76 HG1 GLU 76 8.609 3.963 6.913 599 HG3 GLU 76 HG2 GLU 76 8.060 4.501 5.330 600 H LEU 77 H LEU 77 4.280 1.773 3.993 601 HA LEU 77 HA LEU 77 4.315 3.270 1.701 602 HB2 LEU 77 HB1 LEU 77 2.878 1.120 2.730 603 HB3 LEU 77 HB2 LEU 77 1.608 2.313 2.414 604 HG LEU 77 HG LEU 77 2.524 2.511 0.054 605 HD11 LEU 77 HD11 LEU 77 4.803 1.549 0.447 606 HD12 LEU 77 HD12 LEU 77 3.910 0.656 -0.807 607 HD13 LEU 77 HD13 LEU 77 4.073 -0.013 0.827 608 HD21 LEU 77 HD21 LEU 77 0.590 0.949 0.883 609 HD22 LEU 77 HD22 LEU 77 1.734 -0.361 0.649 610 HD23 LEU 77 HD23 LEU 77 1.289 0.668 -0.729 611 H LYS 78 H LYS 78 1.964 3.779 4.277 612 HA LYS 78 HA LYS 78 1.849 5.734 5.475 613 HB2 LYS 78 HB1 LYS 78 3.500 6.760 3.942 614 HB3 LYS 78 HB2 LYS 78 2.181 7.371 2.952 615 HG2 LYS 78 HG1 LYS 78 1.575 8.960 4.531 616 HG3 LYS 78 HG2 LYS 78 2.370 8.117 5.867 617 HD2 LYS 78 HD1 LYS 78 3.856 9.322 3.491 618 HD3 LYS 78 HD2 LYS 78 3.569 10.164 5.049 619 HE2 LYS 78 HE1 LYS 78 5.698 9.407 5.365 620 HE3 LYS 78 HE2 LYS 78 4.775 8.101 6.110 621 HZ1 LYS 78 HZ1 LYS 78 6.534 7.263 4.804 622 HZ2 LYS 78 HZ2 LYS 78 6.056 8.026 3.429 623 HZ3 LYS 78 HZ3 LYS 78 5.188 6.771 4.088 624 HA PRO 79 HA PRO 79 -2.617 6.034 4.775 625 HB2 PRO 79 HB1 PRO 79 -3.298 7.622 6.888 626 HB3 PRO 79 HB2 PRO 79 -2.899 5.884 7.055 627 HG2 PRO 79 HG1 PRO 79 -1.046 8.254 7.452 628 HG3 PRO 79 HG2 PRO 79 -1.317 6.881 8.575 629 HD2 PRO 79 HD1 PRO 79 0.783 6.879 6.864 630 HD3 PRO 79 HD2 PRO 79 -0.154 5.381 7.129 631 H GLY 80 H GLY 80 -0.735 8.977 5.654 632 HA2 GLY 80 HA3 GLY 80 -2.300 10.647 3.803 633 HA3 GLY 80 HA2 GLY 80 -0.961 11.165 4.853 634 H GLY 81 H GLY 81 -0.988 8.479 2.464 635 HA2 GLY 81 HA3 GLY 81 0.129 9.853 0.293 636 HA3 GLY 81 HA2 GLY 81 1.490 9.218 1.244 637 H TYR 82 H TYR 82 2.204 7.153 0.723 638 HA TYR 82 HA TYR 82 0.856 6.175 -1.612 639 HB2 TYR 82 HB1 TYR 82 3.292 4.972 -0.311 640 HB3 TYR 82 HB2 TYR 82 2.635 4.622 -1.933 641 HD1 TYR 82 HD1 TYR 82 2.568 6.352 -3.663 642 HD2 TYR 82 HD2 TYR 82 4.686 6.909 0.047 643 HE1 TYR 82 HE1 TYR 82 3.889 8.115 -4.700 644 HE2 TYR 82 HE2 TYR 82 5.998 8.769 -0.984 645 HH TYR 82 HH TYR 82 5.479 9.788 -4.379 646 H HIS 83 H HIS 83 -0.120 4.401 -2.093 647 HA HIS 83 HA HIS 83 -0.604 2.311 -0.081 648 HB2 HIS 83 HB1 HIS 83 -2.917 2.682 0.307 649 HB3 HIS 83 HB2 HIS 83 -1.964 4.088 0.794 650 HD1 HIS 83 HD1 HIS 83 -2.336 6.369 -0.726 651 HD2 HIS 83 HD2 HIS 83 -4.586 2.950 -1.732 652 HE1 HIS 83 HE1 HIS 83 -4.050 7.080 -2.464 653 H PHE 84 H PHE 84 -1.344 0.439 -0.828 654 HA PHE 84 HA PHE 84 -1.843 0.124 -3.736 655 HB2 PHE 84 HB1 PHE 84 -1.802 -1.807 -1.393 656 HB3 PHE 84 HB2 PHE 84 -2.282 -2.269 -3.042 657 HD1 PHE 84 HD2 PHE 84 -0.630 -2.023 -4.935 658 HD2 PHE 84 HD1 PHE 84 0.520 -1.711 -0.799 659 HE1 PHE 84 HE2 PHE 84 1.730 -2.346 -5.571 660 HE2 PHE 84 HE1 PHE 84 2.896 -1.994 -1.441 661 HZ PHE 84 HZ PHE 84 3.521 -2.298 -3.819 662 H MET 85 H MET 85 -3.847 0.092 -4.609 663 HA MET 85 HA MET 85 -6.167 -0.275 -2.816 664 HB2 MET 85 HB1 MET 85 -6.103 1.082 -5.475 665 HB3 MET 85 HB2 MET 85 -7.598 0.416 -4.740 666 HG2 MET 85 HG1 MET 85 -6.997 1.576 -2.607 667 HG3 MET 85 HG2 MET 85 -5.667 2.370 -3.472 668 HE1 MET 85 HE1 MET 85 -9.271 1.965 -2.674 669 HE2 MET 85 HE2 MET 85 -8.999 3.558 -1.910 670 HE3 MET 85 HE3 MET 85 -10.087 3.395 -3.304 671 H LEU 86 H LEU 86 -6.930 -2.107 -2.644 672 HA LEU 86 HA LEU 86 -6.100 -4.395 -4.323 673 HB2 LEU 86 HB1 LEU 86 -7.481 -3.950 -1.653 674 HB3 LEU 86 HB2 LEU 86 -7.471 -5.544 -2.445 675 HG LEU 86 HG LEU 86 -4.977 -5.527 -2.354 676 HD11 LEU 86 HD11 LEU 86 -3.883 -3.997 -0.692 677 HD12 LEU 86 HD12 LEU 86 -5.383 -3.051 -0.604 678 HD13 LEU 86 HD13 LEU 86 -4.455 -3.139 -2.120 679 HD21 LEU 86 HD21 LEU 86 -4.892 -6.080 0.051 680 HD22 LEU 86 HD22 LEU 86 -6.368 -6.710 -0.695 681 HD23 LEU 86 HD23 LEU 86 -6.440 -5.244 0.309 682 H LEU 87 H LEU 87 -7.288 -4.666 -6.112 683 HA LEU 87 HA LEU 87 -10.208 -3.998 -6.145 684 HB2 LEU 87 HB1 LEU 87 -7.933 -3.673 -8.078 685 HB3 LEU 87 HB2 LEU 87 -9.532 -4.089 -8.752 686 HG LEU 87 HG LEU 87 -10.470 -2.091 -7.595 687 HD11 LEU 87 HD11 LEU 87 -8.701 -1.675 -5.895 688 HD12 LEU 87 HD12 LEU 87 -8.888 -0.268 -6.947 689 HD13 LEU 87 HD13 LEU 87 -7.524 -1.374 -7.192 690 HD21 LEU 87 HD21 LEU 87 -9.929 -2.082 -9.990 691 HD22 LEU 87 HD22 LEU 87 -8.265 -1.571 -9.628 692 HD23 LEU 87 HD23 LEU 87 -9.636 -0.495 -9.266 693 H GLY 88 H GLY 88 -11.665 -5.428 -6.864 694 HA2 GLY 88 HA3 GLY 88 -12.555 -7.403 -7.735 695 HA3 GLY 88 HA2 GLY 88 -10.945 -7.830 -8.359 696 H LEU 89 H LEU 89 -11.817 -7.074 -5.008 697 HA LEU 89 HA LEU 89 -10.542 -9.068 -3.751 698 HB2 LEU 89 HB1 LEU 89 -12.352 -8.897 -1.927 699 HB3 LEU 89 HB2 LEU 89 -11.201 -7.593 -2.291 700 HG LEU 89 HG LEU 89 -13.004 -6.362 -3.465 701 HD11 LEU 89 HD11 LEU 89 -15.375 -7.127 -3.215 702 HD12 LEU 89 HD12 LEU 89 -14.778 -8.693 -2.611 703 HD13 LEU 89 HD13 LEU 89 -14.426 -8.176 -4.275 704 HD21 LEU 89 HD21 LEU 89 -14.324 -5.801 -1.456 705 HD22 LEU 89 HD22 LEU 89 -12.607 -5.991 -1.061 706 HD23 LEU 89 HD23 LEU 89 -13.758 -7.285 -0.659 707 H LYS 90 H LYS 90 -10.646 -10.904 -3.005 708 HA LYS 90 HA LYS 90 -12.340 -12.892 -4.430 709 HB2 LYS 90 HB1 LYS 90 -9.752 -13.108 -2.970 710 HB3 LYS 90 HB2 LYS 90 -10.605 -14.447 -3.778 711 HG2 LYS 90 HG1 LYS 90 -10.483 -13.257 -5.939 712 HG3 LYS 90 HG2 LYS 90 -9.699 -11.856 -5.163 713 HD2 LYS 90 HD1 LYS 90 -7.877 -13.297 -4.365 714 HD3 LYS 90 HD2 LYS 90 -8.661 -14.674 -5.167 715 HE2 LYS 90 HE1 LYS 90 -8.164 -13.788 -7.334 716 HE3 LYS 90 HE2 LYS 90 -7.881 -12.153 -6.688 717 HZ1 LYS 90 HZ1 LYS 90 -6.110 -14.419 -6.044 718 HZ2 LYS 90 HZ2 LYS 90 -5.840 -12.786 -5.850 719 HZ3 LYS 90 HZ3 LYS 90 -5.899 -13.464 -7.357 720 H ARG 91 H ARG 91 -12.122 -11.501 -1.351 721 HA ARG 91 HA ARG 91 -14.142 -13.277 -0.163 722 HB2 ARG 91 HB1 ARG 91 -11.539 -12.475 1.209 723 HB3 ARG 91 HB2 ARG 91 -12.952 -13.155 2.053 724 HG2 ARG 91 HG1 ARG 91 -12.705 -15.260 0.832 725 HG3 ARG 91 HG2 ARG 91 -11.327 -14.606 -0.084 726 HD2 ARG 91 HD1 ARG 91 -10.010 -14.352 1.926 727 HD3 ARG 91 HD2 ARG 91 -11.397 -14.789 2.950 728 HE ARG 91 HE ARG 91 -11.221 -16.994 1.486 729 HH11 ARG 91 HH12 ARG 91 -8.475 -15.223 2.858 730 HH12 ARG 91 HH11 ARG 91 -7.589 -16.667 3.210 731 HH21 ARG 91 HH22 ARG 91 -10.045 -18.844 2.000 732 HH22 ARG 91 HH21 ARG 91 -8.445 -18.692 2.670 733 HA PRO 92 HA PRO 92 -15.282 -9.052 1.203 734 HB2 PRO 92 HB1 PRO 92 -17.115 -9.574 3.142 735 HB3 PRO 92 HB2 PRO 92 -17.468 -9.844 1.407 736 HG2 PRO 92 HG1 PRO 92 -16.565 -11.884 3.459 737 HG3 PRO 92 HG2 PRO 92 -17.924 -12.019 2.286 738 HD2 PRO 92 HD1 PRO 92 -15.434 -13.090 1.815 739 HD3 PRO 92 HD2 PRO 92 -16.447 -12.428 0.500 740 H LEU 93 H LEU 93 -14.815 -7.687 3.027 741 HA LEU 93 HA LEU 93 -13.012 -8.745 5.113 742 HB2 LEU 93 HB1 LEU 93 -13.074 -6.138 3.557 743 HB3 LEU 93 HB2 LEU 93 -12.303 -6.300 5.165 744 HG LEU 93 HG LEU 93 -10.817 -8.085 4.182 745 HD11 LEU 93 HD11 LEU 93 -10.473 -7.973 1.680 746 HD12 LEU 93 HD12 LEU 93 -11.987 -7.048 1.556 747 HD13 LEU 93 HD13 LEU 93 -11.993 -8.729 2.149 748 HD21 LEU 93 HD21 LEU 93 -9.317 -6.430 3.116 749 HD22 LEU 93 HD22 LEU 93 -10.061 -5.772 4.577 750 HD23 LEU 93 HD23 LEU 93 -10.667 -5.281 2.979 751 H LYS 94 H LYS 94 -13.528 -8.150 7.047 752 HA LYS 94 HA LYS 94 -15.952 -6.491 7.699 753 HB2 LYS 94 HB1 LYS 94 -14.550 -8.677 9.262 754 HB3 LYS 94 HB2 LYS 94 -15.873 -7.695 9.904 755 HG2 LYS 94 HG1 LYS 94 -15.990 -10.220 8.802 756 HG3 LYS 94 HG2 LYS 94 -17.339 -9.156 9.264 757 HD2 LYS 94 HD1 LYS 94 -18.087 -9.557 7.249 758 HD3 LYS 94 HD2 LYS 94 -16.955 -8.357 6.695 759 HE2 LYS 94 HE1 LYS 94 -16.907 -11.368 6.491 760 HE3 LYS 94 HE2 LYS 94 -16.625 -10.149 5.229 761 HZ1 LYS 94 HZ1 LYS 94 -14.514 -11.061 5.627 762 HZ2 LYS 94 HZ2 LYS 94 -14.697 -11.165 7.256 763 HZ3 LYS 94 HZ3 LYS 94 -14.437 -9.765 6.600 764 H ALA 95 H ALA 95 -15.760 -5.243 9.693 765 HA ALA 95 HA ALA 95 -13.160 -4.059 10.333 766 HB1 ALA 95 HB1 ALA 95 -15.803 -4.000 11.865 767 HB2 ALA 95 HB2 ALA 95 -14.403 -2.932 12.083 768 HB3 ALA 95 HB3 ALA 95 -15.373 -2.840 10.595 769 H GLY 96 H GLY 96 -11.744 -5.059 11.540 770 HA2 GLY 96 HA3 GLY 96 -10.993 -5.950 13.615 771 HA3 GLY 96 HA2 GLY 96 -12.569 -6.745 13.836 772 H GLU 97 H GLU 97 -10.684 -7.018 10.869 773 HA GLU 97 HA GLU 97 -10.047 -9.893 11.484 774 HB2 GLU 97 HB1 GLU 97 -10.643 -8.465 8.869 775 HB3 GLU 97 HB2 GLU 97 -10.031 -10.137 8.963 776 HG2 GLU 97 HG1 GLU 97 -11.929 -10.757 10.398 777 HG3 GLU 97 HG2 GLU 97 -12.615 -9.144 10.191 778 H GLU 98 H GLU 98 -8.269 -10.404 9.425 779 HA GLU 98 HA GLU 98 -6.135 -8.568 9.320 780 HB2 GLU 98 HB1 GLU 98 -4.440 -10.272 10.028 781 HB3 GLU 98 HB2 GLU 98 -5.405 -9.609 11.365 782 HG2 GLU 98 HG1 GLU 98 -6.750 -11.633 11.459 783 HG3 GLU 98 HG2 GLU 98 -5.965 -12.284 10.006 784 H VAL 99 H VAL 99 -4.902 -9.022 7.685 785 HA VAL 99 HA VAL 99 -5.732 -10.945 5.543 786 HB VAL 99 HB VAL 99 -5.883 -7.899 5.548 787 HG11 VAL 99 HG11 VAL 99 -6.308 -8.002 3.078 788 HG12 VAL 99 HG12 VAL 99 -4.640 -8.354 3.513 789 HG13 VAL 99 HG13 VAL 99 -5.733 -9.691 3.096 790 HG21 VAL 99 HG21 VAL 99 -7.851 -10.049 4.638 791 HG22 VAL 99 HG22 VAL 99 -7.945 -9.143 6.158 792 HG23 VAL 99 HG23 VAL 99 -8.134 -8.295 4.621 793 H GLU 100 H GLU 100 -3.989 -11.761 4.517 794 HA GLU 100 HA GLU 100 -1.370 -10.471 4.927 795 HB2 GLU 100 HB1 GLU 100 -0.360 -12.459 4.063 796 HB3 GLU 100 HB2 GLU 100 -1.442 -12.809 5.420 797 HG2 GLU 100 HG1 GLU 100 -2.733 -14.179 4.167 798 HG3 GLU 100 HG2 GLU 100 -2.741 -13.073 2.783 799 H LEU 101 H LEU 101 0.134 -10.114 3.360 800 HA LEU 101 HA LEU 101 -0.472 -10.116 0.556 801 HB2 LEU 101 HB1 LEU 101 -1.647 -8.131 1.003 802 HB3 LEU 101 HB2 LEU 101 -0.427 -7.521 2.121 803 HG LEU 101 HG LEU 101 0.209 -7.782 -0.820 804 HD11 LEU 101 HD11 LEU 101 -1.937 -6.602 -0.751 805 HD12 LEU 101 HD12 LEU 101 -0.648 -5.439 -1.094 806 HD13 LEU 101 HD13 LEU 101 -1.340 -5.530 0.536 807 HD21 LEU 101 HD21 LEU 101 1.643 -5.820 -0.326 808 HD22 LEU 101 HD22 LEU 101 2.048 -7.167 0.736 809 HD23 LEU 101 HD23 LEU 101 1.075 -5.827 1.361 810 H ASP 102 H ASP 102 1.331 -10.043 -0.688 811 HA ASP 102 HA ASP 102 3.984 -9.854 0.643 812 HB2 ASP 102 HB1 ASP 102 3.012 -11.361 -1.791 813 HB3 ASP 102 HB2 ASP 102 4.732 -11.006 -1.512 814 H LEU 103 H LEU 103 5.465 -8.497 -0.100 815 HA LEU 103 HA LEU 103 4.693 -6.297 -1.922 816 HB2 LEU 103 HB1 LEU 103 7.060 -6.947 -0.133 817 HB3 LEU 103 HB2 LEU 103 7.113 -5.621 -1.322 818 HG LEU 103 HG LEU 103 5.125 -4.603 -0.134 819 HD11 LEU 103 HD11 LEU 103 4.858 -5.299 2.282 820 HD12 LEU 103 HD12 LEU 103 5.803 -6.752 1.932 821 HD13 LEU 103 HD13 LEU 103 4.232 -6.482 1.139 822 HD21 LEU 103 HD21 LEU 103 7.684 -5.023 1.472 823 HD22 LEU 103 HD22 LEU 103 6.546 -3.685 1.677 824 HD23 LEU 103 HD23 LEU 103 7.453 -3.832 0.172 825 H LEU 104 H LEU 104 5.246 -6.265 -4.059 826 HA LEU 104 HA LEU 104 7.294 -8.176 -5.085 827 HB2 LEU 104 HB1 LEU 104 5.336 -6.335 -6.497 828 HB3 LEU 104 HB2 LEU 104 6.504 -7.365 -7.316 829 HG LEU 104 HG LEU 104 4.105 -8.229 -5.653 830 HD11 LEU 104 HD11 LEU 104 3.299 -9.165 -7.798 831 HD12 LEU 104 HD12 LEU 104 4.742 -8.536 -8.618 832 HD13 LEU 104 HD13 LEU 104 3.556 -7.421 -7.906 833 HD21 LEU 104 HD21 LEU 104 6.243 -9.962 -6.977 834 HD22 LEU 104 HD22 LEU 104 4.686 -10.572 -6.381 835 HD23 LEU 104 HD23 LEU 104 5.846 -9.886 -5.244 836 H PHE 105 H PHE 105 9.227 -7.447 -4.650 837 HA PHE 105 HA PHE 105 9.924 -4.607 -5.185 838 HB2 PHE 105 HB1 PHE 105 11.375 -6.836 -3.766 839 HB3 PHE 105 HB2 PHE 105 12.114 -5.278 -4.144 840 HD1 PHE 105 HD1 PHE 105 11.292 -3.197 -2.995 841 HD2 PHE 105 HD2 PHE 105 9.983 -7.144 -1.858 842 HE1 PHE 105 HE1 PHE 105 10.863 -2.385 -0.702 843 HE2 PHE 105 HE2 PHE 105 9.521 -6.319 0.428 844 HZ PHE 105 HZ PHE 105 9.993 -3.953 1.023 845 H ALA 106 H ALA 106 11.569 -4.072 -6.610 846 HA ALA 106 HA ALA 106 11.539 -5.342 -9.059 847 HB1 ALA 106 HB1 ALA 106 13.380 -3.835 -9.682 848 HB2 ALA 106 HB2 ALA 106 12.184 -2.999 -8.675 849 HB3 ALA 106 HB3 ALA 106 13.731 -3.531 -7.968 850 H GLY 107 H GLY 107 12.455 -7.004 -10.037 851 HA2 GLY 107 HA3 GLY 107 13.993 -8.569 -10.711 852 HA3 GLY 107 HA2 GLY 107 15.182 -7.836 -9.610 853 H GLY 108 H GLY 108 12.126 -9.733 -9.336 854 HA2 GLY 108 HA3 GLY 108 11.724 -11.804 -8.481 855 HA3 GLY 108 HA2 GLY 108 13.485 -12.041 -8.394 856 H LYS 109 H LYS 109 12.282 -9.377 -6.504 857 HA LYS 109 HA LYS 109 12.839 -10.949 -4.021 858 HB2 LYS 109 HB1 LYS 109 12.945 -8.016 -4.742 859 HB3 LYS 109 HB2 LYS 109 12.910 -8.550 -3.047 860 HG2 LYS 109 HG1 LYS 109 14.933 -9.766 -3.265 861 HG3 LYS 109 HG2 LYS 109 14.859 -9.714 -5.034 862 HD2 LYS 109 HD1 LYS 109 14.898 -7.025 -4.403 863 HD3 LYS 109 HD2 LYS 109 15.844 -7.701 -3.054 864 HE2 LYS 109 HE1 LYS 109 17.401 -7.112 -4.790 865 HE3 LYS 109 HE2 LYS 109 17.279 -8.882 -4.776 866 HZ1 LYS 109 HZ1 LYS 109 15.752 -7.119 -6.632 867 HZ2 LYS 109 HZ2 LYS 109 15.832 -8.745 -6.696 868 HZ3 LYS 109 HZ3 LYS 109 17.168 -7.868 -7.032 869 H VAL 110 H VAL 110 11.194 -11.621 -2.860 870 HA VAL 110 HA VAL 110 8.652 -10.111 -2.835 871 HB VAL 110 HB VAL 110 8.807 -13.135 -3.156 872 HG11 VAL 110 HG11 VAL 110 6.350 -12.965 -3.537 873 HG12 VAL 110 HG12 VAL 110 6.797 -12.406 -1.924 874 HG13 VAL 110 HG13 VAL 110 6.423 -11.222 -3.199 875 HG21 VAL 110 HG21 VAL 110 9.450 -12.135 -5.285 876 HG22 VAL 110 HG22 VAL 110 7.804 -12.750 -5.420 877 HG23 VAL 110 HG23 VAL 110 8.079 -11.005 -5.217 878 H LEU 111 H LEU 111 7.802 -9.837 -0.849 879 HA LEU 111 HA LEU 111 8.670 -11.563 1.421 880 HB2 LEU 111 HB1 LEU 111 8.997 -8.544 1.242 881 HB3 LEU 111 HB2 LEU 111 8.968 -9.459 2.779 882 HG LEU 111 HG LEU 111 10.941 -10.810 1.596 883 HD11 LEU 111 HD11 LEU 111 11.295 -8.017 0.416 884 HD12 LEU 111 HD12 LEU 111 10.849 -9.436 -0.539 885 HD13 LEU 111 HD13 LEU 111 12.416 -9.386 0.279 886 HD21 LEU 111 HD21 LEU 111 12.536 -9.307 2.759 887 HD22 LEU 111 HD22 LEU 111 11.098 -9.628 3.743 888 HD23 LEU 111 HD23 LEU 111 11.265 -8.070 2.902 889 H LYS 112 H LYS 112 7.062 -12.107 2.661 890 HA LYS 112 HA LYS 112 4.388 -11.013 2.316 891 HB2 LYS 112 HB1 LYS 112 4.916 -13.437 2.512 892 HB3 LYS 112 HB2 LYS 112 5.366 -13.182 4.209 893 HG2 LYS 112 HG1 LYS 112 3.094 -12.445 4.732 894 HG3 LYS 112 HG2 LYS 112 2.611 -12.541 3.036 895 HD2 LYS 112 HD1 LYS 112 3.549 -14.892 4.724 896 HD3 LYS 112 HD2 LYS 112 1.846 -14.474 4.455 897 HE2 LYS 112 HE1 LYS 112 3.829 -15.225 2.263 898 HE3 LYS 112 HE2 LYS 112 2.681 -16.353 3.031 899 HZ1 LYS 112 HZ1 LYS 112 1.781 -15.493 0.973 900 HZ2 LYS 112 HZ2 LYS 112 1.978 -13.959 1.437 901 HZ3 LYS 112 HZ3 LYS 112 0.873 -14.917 2.202 902 H VAL 113 H VAL 113 3.180 -9.803 3.648 903 HA VAL 113 HA VAL 113 3.999 -9.396 6.493 904 HB VAL 113 HB VAL 113 2.097 -7.380 5.458 905 HG11 VAL 113 HG11 VAL 113 3.057 -7.348 7.708 906 HG12 VAL 113 HG12 VAL 113 4.695 -7.191 7.039 907 HG13 VAL 113 HG13 VAL 113 3.511 -5.885 6.824 908 HG21 VAL 113 HG21 VAL 113 3.780 -5.892 4.430 909 HG22 VAL 113 HG22 VAL 113 4.932 -7.248 4.387 910 HG23 VAL 113 HG23 VAL 113 3.426 -7.316 3.449 911 H VAL 114 H VAL 114 2.257 -9.370 7.999 912 HA VAL 114 HA VAL 114 -0.451 -10.139 6.979 913 HB VAL 114 HB VAL 114 0.691 -10.753 9.738 914 HG11 VAL 114 HG11 VAL 114 -1.471 -11.997 10.034 915 HG12 VAL 114 HG12 VAL 114 -1.729 -10.262 9.836 916 HG13 VAL 114 HG13 VAL 114 -2.032 -11.360 8.472 917 HG21 VAL 114 HG21 VAL 114 1.626 -12.294 8.057 918 HG22 VAL 114 HG22 VAL 114 0.442 -13.140 9.055 919 HG23 VAL 114 HG23 VAL 114 0.001 -12.616 7.416 920 H LEU 115 H LEU 115 -1.922 -8.605 7.288 921 HA LEU 115 HA LEU 115 -1.226 -6.176 8.932 922 HB2 LEU 115 HB1 LEU 115 -2.701 -6.444 6.281 923 HB3 LEU 115 HB2 LEU 115 -2.310 -4.931 7.091 924 HG LEU 115 HG LEU 115 -0.287 -6.869 5.876 925 HD11 LEU 115 HD11 LEU 115 -1.329 -4.193 4.856 926 HD12 LEU 115 HD12 LEU 115 -1.721 -5.791 4.183 927 HD13 LEU 115 HD13 LEU 115 -0.060 -5.186 4.102 928 HD21 LEU 115 HD21 LEU 115 0.686 -5.509 7.735 929 HD22 LEU 115 HD22 LEU 115 0.101 -4.035 6.927 930 HD23 LEU 115 HD23 LEU 115 1.335 -5.038 6.154 931 HA PRO 116 HA PRO 116 -5.431 -7.158 10.539 932 HB2 PRO 116 HB1 PRO 116 -5.767 -5.064 12.252 933 HB3 PRO 116 HB2 PRO 116 -4.760 -6.497 12.621 934 HG2 PRO 116 HG1 PRO 116 -3.854 -3.819 11.525 935 HG3 PRO 116 HG2 PRO 116 -3.150 -4.747 12.898 936 HD2 PRO 116 HD1 PRO 116 -2.077 -4.867 10.406 937 HD3 PRO 116 HD2 PRO 116 -2.160 -6.323 11.438 938 H VAL 117 H VAL 117 -7.529 -6.408 10.210 939 HA VAL 117 HA VAL 117 -7.861 -4.088 8.362 940 HB VAL 117 HB VAL 117 -9.882 -6.274 8.981 941 HG11 VAL 117 HG11 VAL 117 -10.855 -4.178 8.127 942 HG12 VAL 117 HG12 VAL 117 -9.700 -4.159 6.774 943 HG13 VAL 117 HG13 VAL 117 -10.940 -5.426 6.885 944 HG21 VAL 117 HG21 VAL 117 -8.002 -6.109 6.586 945 HG22 VAL 117 HG22 VAL 117 -7.961 -7.341 7.866 946 HG23 VAL 117 HG23 VAL 117 -9.352 -7.240 6.784 947 H GLU 118 H GLU 118 -8.344 -2.307 9.369 948 HA GLU 118 HA GLU 118 -10.473 -2.234 11.468 949 HB2 GLU 118 HB1 GLU 118 -9.807 0.134 11.809 950 HB3 GLU 118 HB2 GLU 118 -8.583 -1.044 12.328 951 HG2 GLU 118 HG1 GLU 118 -7.122 -0.486 10.630 952 HG3 GLU 118 HG2 GLU 118 -8.392 0.101 9.545 953 H ALA 119 H ALA 119 -11.703 0.100 11.017 954 HA ALA 119 HA ALA 119 -12.507 0.193 8.185 955 HB1 ALA 119 HB1 ALA 119 -14.340 -0.662 10.475 956 HB2 ALA 119 HB2 ALA 119 -14.863 -0.382 8.806 957 HB3 ALA 119 HB3 ALA 119 -13.760 -1.727 9.175 958 H ARG 120 H ARG 120 -14.014 1.853 7.706 959 HA ARG 120 HA ARG 120 -14.970 3.792 9.541 960 HB2 ARG 120 HB1 ARG 120 -13.685 5.732 8.727 961 HB3 ARG 120 HB2 ARG 120 -12.725 4.602 9.710 962 HG2 ARG 120 HG1 ARG 120 -11.385 5.465 7.941 963 HG3 ARG 120 HG2 ARG 120 -11.644 3.742 7.661 964 HD2 ARG 120 HD1 ARG 120 -11.668 5.172 5.613 965 HD3 ARG 120 HD2 ARG 120 -13.113 4.198 5.807 966 HE ARG 120 HE ARG 120 -13.024 7.048 6.699 967 HH11 ARG 120 HH12 ARG 120 -14.999 4.596 5.256 968 HH12 ARG 120 HH11 ARG 120 -16.134 5.696 4.723 969 HH21 ARG 120 HH22 ARG 120 -14.773 8.289 6.319 970 HH22 ARG 120 HH21 ARG 120 -16.104 7.660 5.420 Start of MODEL 28 1 H1 GLY 1 1H GLY 1 12.017 -5.325 11.637 2 H2 GLY 1 2H GLY 1 12.925 -6.064 10.492 3 H3 GLY 1 3H GLY 1 13.644 -5.202 11.653 4 HA2 GLY 1 HA3 GLY 1 13.825 -7.627 12.074 5 HA3 GLY 1 HA2 GLY 1 12.964 -6.767 13.371 6 H SER 2 H SER 2 10.917 -7.489 13.868 7 HA SER 2 HA SER 2 9.056 -8.325 11.726 8 HB2 SER 2 HB1 SER 2 8.523 -8.568 14.201 9 HB3 SER 2 HB2 SER 2 8.466 -6.798 14.288 10 HG SER 2 HG SER 2 6.710 -6.745 13.050 11 H PHE 3 H PHE 3 7.884 -6.615 10.495 12 HA PHE 3 HA PHE 3 9.396 -4.080 10.318 13 HB2 PHE 3 HB1 PHE 3 10.785 -4.639 8.580 14 HB3 PHE 3 HB2 PHE 3 10.856 -6.112 9.515 15 HD1 PHE 3 HD1 PHE 3 9.721 -8.191 8.665 16 HD2 PHE 3 HD2 PHE 3 9.752 -4.532 6.386 17 HE1 PHE 3 HE1 PHE 3 8.950 -9.423 6.653 18 HE2 PHE 3 HE2 PHE 3 8.945 -5.758 4.391 19 HZ PHE 3 HZ PHE 3 8.525 -8.205 4.527 20 H THR 4 H THR 4 6.588 -5.813 9.372 21 HA THR 4 HA THR 4 6.260 -4.293 6.827 22 HB THR 4 HB THR 4 4.431 -6.547 7.603 23 HG1 THR 4 HG1 THR 4 7.090 -6.856 6.679 24 HG21 THR 4 HG21 THR 4 5.759 -5.641 4.995 25 HG22 THR 4 HG22 THR 4 4.049 -5.447 5.443 26 HG23 THR 4 HG23 THR 4 4.698 -7.057 5.151 27 H GLU 5 H GLU 5 5.457 -3.859 9.899 28 HA GLU 5 HA GLU 5 2.871 -4.292 10.082 29 HB2 GLU 5 HB1 GLU 5 3.519 -2.124 11.887 30 HB3 GLU 5 HB2 GLU 5 3.134 -3.810 12.239 31 HG2 GLU 5 HG1 GLU 5 5.890 -2.762 11.492 32 HG3 GLU 5 HG2 GLU 5 5.297 -3.000 13.155 33 H GLY 6 H GLY 6 1.157 -3.566 9.210 34 HA2 GLY 6 HA3 GLY 6 0.210 -0.859 9.313 35 HA3 GLY 6 HA2 GLY 6 0.507 -1.415 7.650 36 H TRP 7 H TRP 7 -2.025 -0.948 7.822 37 HA TRP 7 HA TRP 7 -3.380 -3.521 8.487 38 HB2 TRP 7 HB1 TRP 7 -5.376 -2.319 8.888 39 HB3 TRP 7 HB2 TRP 7 -4.103 -1.641 9.897 40 HD1 TRP 7 HD TRP 7 -6.885 -0.665 7.764 41 HE1 TRP 7 HE1 TRP 7 -6.929 1.887 7.429 42 HE3 TRP 7 3HE TRP 7 -2.192 0.509 9.450 43 HZ2 TRP 7 HZ2 TRP 7 -5.064 4.046 7.445 44 HZ3 TRP 7 HZ3 TRP 7 -1.359 2.835 9.287 45 HH2 TRP 7 HH TRP 7 -2.764 4.609 8.271 46 H VAL 8 H VAL 8 -5.088 -4.223 7.097 47 HA VAL 8 HA VAL 8 -5.168 -2.964 4.362 48 HB VAL 8 HB VAL 8 -6.346 -5.564 5.343 49 HG11 VAL 8 HG11 VAL 8 -6.575 -4.265 2.585 50 HG12 VAL 8 HG12 VAL 8 -7.089 -5.915 2.996 51 HG13 VAL 8 HG13 VAL 8 -7.911 -4.532 3.726 52 HG21 VAL 8 HG21 VAL 8 -4.145 -4.855 3.355 53 HG22 VAL 8 HG22 VAL 8 -3.962 -5.716 4.894 54 HG23 VAL 8 HG23 VAL 8 -4.816 -6.476 3.547 55 H ARG 9 H ARG 9 -7.050 -1.895 3.678 56 HA ARG 9 HA ARG 9 -8.428 -0.602 5.887 57 HB2 ARG 9 HB1 ARG 9 -7.607 0.495 3.759 58 HB3 ARG 9 HB2 ARG 9 -8.973 -0.264 2.924 59 HG2 ARG 9 HG1 ARG 9 -10.514 0.888 4.568 60 HG3 ARG 9 HG2 ARG 9 -9.087 1.717 5.233 61 HD2 ARG 9 HD1 ARG 9 -8.662 2.531 2.813 62 HD3 ARG 9 HD2 ARG 9 -10.297 1.952 2.440 63 HE ARG 9 HE ARG 9 -11.195 3.734 3.649 64 HH11 ARG 9 HH12 ARG 9 -7.760 3.507 4.474 65 HH12 ARG 9 HH11 ARG 9 -7.916 4.821 5.570 66 HH21 ARG 9 HH22 ARG 9 -11.116 5.669 4.894 67 HH22 ARG 9 HH21 ARG 9 -9.610 5.961 5.773 68 H PHE 10 H PHE 10 -10.301 -1.078 6.743 69 HA PHE 10 HA PHE 10 -12.196 -3.003 6.208 70 HB2 PHE 10 HB1 PHE 10 -12.264 -1.588 8.166 71 HB3 PHE 10 HB2 PHE 10 -12.474 -0.131 7.169 72 HD1 PHE 10 HD2 PHE 10 -14.643 0.218 5.906 73 HD2 PHE 10 HD1 PHE 10 -14.154 -2.783 8.938 74 HE1 PHE 10 HE2 PHE 10 -17.078 -0.142 5.915 75 HE2 PHE 10 HE1 PHE 10 -16.634 -3.066 9.052 76 HZ PHE 10 HZ PHE 10 -18.097 -1.763 7.520 77 H SER 11 H SER 11 -13.770 -3.390 4.732 78 HA SER 11 HA SER 11 -15.290 -1.401 3.408 79 HB2 SER 11 HB1 SER 11 -13.276 -1.073 2.020 80 HB3 SER 11 HB2 SER 11 -13.312 -2.797 1.571 81 HG SER 11 HG SER 11 -14.310 -1.581 -0.010 82 HA PRO 12 HA PRO 12 -17.442 -5.337 2.415 83 HB2 PRO 12 HB1 PRO 12 -19.980 -4.479 2.482 84 HB3 PRO 12 HB2 PRO 12 -19.025 -4.544 3.994 85 HG2 PRO 12 HG1 PRO 12 -19.518 -2.135 2.215 86 HG3 PRO 12 HG2 PRO 12 -19.729 -2.249 3.999 87 HD2 PRO 12 HD1 PRO 12 -17.435 -1.284 2.751 88 HD3 PRO 12 HD2 PRO 12 -17.433 -2.068 4.358 89 H GLY 13 H GLY 13 -16.653 -2.657 0.583 90 HA2 GLY 13 HA3 GLY 13 -18.630 -2.982 -1.579 91 HA3 GLY 13 HA2 GLY 13 -17.394 -1.712 -1.424 92 HA PRO 14 HA PRO 14 -16.084 -4.950 -4.572 93 HB2 PRO 14 HB1 PRO 14 -15.724 -3.302 -6.730 94 HB3 PRO 14 HB2 PRO 14 -17.312 -3.991 -6.284 95 HG2 PRO 14 HG1 PRO 14 -16.218 -1.247 -5.598 96 HG3 PRO 14 HG2 PRO 14 -17.827 -1.655 -6.289 97 HD2 PRO 14 HD1 PRO 14 -17.478 -1.227 -3.619 98 HD3 PRO 14 HD2 PRO 14 -18.596 -2.487 -4.211 99 H ASN 15 H ASN 15 -14.742 -1.819 -3.536 100 HA ASN 15 HA ASN 15 -12.011 -2.796 -4.001 101 HB2 ASN 15 HB1 ASN 15 -11.514 -0.398 -4.389 102 HB3 ASN 15 HB2 ASN 15 -12.603 -1.101 -5.593 103 HD21 ASN 15 HD21 ASN 15 -13.201 1.132 -6.150 104 HD22 ASN 15 HD22 ASN 15 -14.357 1.965 -5.123 105 H ALA 16 H ALA 16 -10.405 -1.734 -2.706 106 HA ALA 16 HA ALA 16 -11.026 -0.581 -0.089 107 HB1 ALA 16 HB1 ALA 16 -9.902 -2.403 1.152 108 HB2 ALA 16 HB2 ALA 16 -11.290 -3.021 0.257 109 HB3 ALA 16 HB3 ALA 16 -9.655 -3.303 -0.358 110 H ALA 17 H ALA 17 -8.634 -0.716 1.089 111 HA ALA 17 HA ALA 17 -6.476 0.146 -0.763 112 HB1 ALA 17 HB1 ALA 17 -7.515 2.216 0.206 113 HB2 ALA 17 HB2 ALA 17 -7.046 1.608 1.820 114 HB3 ALA 17 HB3 ALA 17 -5.810 1.966 0.622 115 H ALA 18 H ALA 18 -4.317 -0.038 0.512 116 HA ALA 18 HA ALA 18 -4.356 -1.631 2.968 117 HB1 ALA 18 HB1 ALA 18 -4.467 -3.411 1.308 118 HB2 ALA 18 HB2 ALA 18 -3.088 -2.721 0.415 119 HB3 ALA 18 HB3 ALA 18 -2.855 -3.390 2.036 120 H TYR 19 H TYR 19 -2.275 -1.918 3.899 121 HA TYR 19 HA TYR 19 -0.375 0.314 3.437 122 HB2 TYR 19 HB1 TYR 19 -2.556 1.006 4.634 123 HB3 TYR 19 HB2 TYR 19 -1.994 0.039 5.996 124 HD1 TYR 19 HD2 TYR 19 -1.378 2.990 3.919 125 HD2 TYR 19 HD1 TYR 19 -0.070 0.753 7.357 126 HE1 TYR 19 HE2 TYR 19 -0.010 4.877 4.605 127 HE2 TYR 19 HE1 TYR 19 1.363 2.657 8.070 128 HH TYR 19 HH TYR 19 2.116 4.786 7.602 129 H LEU 20 H LEU 20 1.517 0.182 4.604 130 HA LEU 20 HA LEU 20 2.158 -1.974 6.418 131 HB2 LEU 20 HB1 LEU 20 3.708 -3.129 4.924 132 HB3 LEU 20 HB2 LEU 20 2.008 -3.290 4.441 133 HG LEU 20 HG LEU 20 2.657 -1.328 2.750 134 HD11 LEU 20 HD11 LEU 20 5.353 -2.681 3.220 135 HD12 LEU 20 HD12 LEU 20 4.988 -0.977 3.544 136 HD13 LEU 20 HD13 LEU 20 4.961 -1.577 1.887 137 HD21 LEU 20 HD21 LEU 20 3.444 -4.247 2.412 138 HD22 LEU 20 HD22 LEU 20 3.253 -3.078 1.088 139 HD23 LEU 20 HD23 LEU 20 1.856 -3.514 2.081 140 H THR 21 H THR 21 4.269 -1.917 7.161 141 HA THR 21 HA THR 21 5.808 0.588 6.760 142 HB THR 21 HB THR 21 6.290 -1.770 8.624 143 HG1 THR 21 HG1 THR 21 4.612 -0.365 9.286 144 HG21 THR 21 HG21 THR 21 7.830 0.831 8.264 145 HG22 THR 21 HG22 THR 21 8.465 -0.815 8.045 146 HG23 THR 21 HG23 THR 21 8.007 -0.286 9.655 147 H LEU 22 H LEU 22 7.809 0.620 5.799 148 HA LEU 22 HA LEU 22 8.747 -1.924 4.521 149 HB2 LEU 22 HB1 LEU 22 7.814 0.052 3.060 150 HB3 LEU 22 HB2 LEU 22 9.375 0.802 3.355 151 HG LEU 22 HG LEU 22 9.429 -0.288 1.238 152 HD11 LEU 22 HD11 LEU 22 11.496 -0.653 2.679 153 HD12 LEU 22 HD12 LEU 22 11.268 -1.818 1.362 154 HD13 LEU 22 HD13 LEU 22 10.869 -2.279 3.022 155 HD21 LEU 22 HD21 LEU 22 8.581 -2.922 2.516 156 HD22 LEU 22 HD22 LEU 22 8.802 -2.560 0.791 157 HD23 LEU 22 HD23 LEU 22 7.477 -1.811 1.688 158 H GLU 23 H GLU 23 10.434 -2.616 5.514 159 HA GLU 23 HA GLU 23 12.537 -0.774 6.599 160 HB2 GLU 23 HB1 GLU 23 11.489 -2.391 8.237 161 HB3 GLU 23 HB2 GLU 23 12.121 -3.707 7.216 162 HG2 GLU 23 HG1 GLU 23 14.430 -2.873 7.627 163 HG3 GLU 23 HG2 GLU 23 13.772 -1.629 8.707 164 H ASN 24 H ASN 24 14.594 -1.026 5.786 165 HA ASN 24 HA ASN 24 14.981 -2.962 3.531 166 HB2 ASN 24 HB1 ASN 24 14.965 -0.398 3.282 167 HB3 ASN 24 HB2 ASN 24 16.518 -0.402 4.104 168 HD21 ASN 24 HD21 ASN 24 17.838 -2.612 2.871 169 HD22 ASN 24 HD22 ASN 24 17.932 -2.301 1.155 170 HA PRO 25 HA PRO 25 17.611 -4.295 7.130 171 HB2 PRO 25 HB1 PRO 25 17.333 -7.029 6.860 172 HB3 PRO 25 HB2 PRO 25 16.166 -5.983 7.726 173 HG2 PRO 25 HG1 PRO 25 16.028 -6.913 4.838 174 HG3 PRO 25 HG2 PRO 25 14.743 -7.025 6.090 175 HD2 PRO 25 HD1 PRO 25 14.743 -4.985 4.330 176 HD3 PRO 25 HD2 PRO 25 14.406 -4.673 6.061 177 H GLY 26 H GLY 26 17.842 -5.054 3.688 178 HA2 GLY 26 HA3 GLY 26 20.480 -6.245 3.847 179 HA3 GLY 26 HA2 GLY 26 19.588 -5.753 2.390 180 H ASP 27 H ASP 27 22.039 -5.249 2.201 181 HA ASP 27 HA ASP 27 22.931 -2.684 3.298 182 HB2 ASP 27 HB1 ASP 27 24.158 -5.090 1.891 183 HB3 ASP 27 HB2 ASP 27 25.066 -3.667 2.408 184 H LEU 28 H LEU 28 21.303 -3.622 0.676 185 HA LEU 28 HA LEU 28 22.248 -1.435 -1.073 186 HB2 LEU 28 HB1 LEU 28 21.800 -2.813 -3.018 187 HB3 LEU 28 HB2 LEU 28 22.974 -3.570 -1.893 188 HG LEU 28 HG LEU 28 20.914 -4.947 -1.064 189 HD11 LEU 28 HD11 LEU 28 19.914 -4.082 -3.823 190 HD12 LEU 28 HD12 LEU 28 19.095 -3.799 -2.275 191 HD13 LEU 28 HD13 LEU 28 19.263 -5.440 -2.880 192 HD21 LEU 28 HD21 LEU 28 22.849 -5.887 -2.265 193 HD22 LEU 28 HD22 LEU 28 22.130 -5.418 -3.822 194 HD23 LEU 28 HD23 LEU 28 21.348 -6.649 -2.802 195 HA PRO 29 HA PRO 29 18.203 0.018 -0.592 196 HB2 PRO 29 HB1 PRO 29 17.661 1.466 -2.834 197 HB3 PRO 29 HB2 PRO 29 18.946 1.916 -1.678 198 HG2 PRO 29 HG1 PRO 29 19.222 0.434 -4.294 199 HG3 PRO 29 HG2 PRO 29 20.241 1.773 -3.667 200 HD2 PRO 29 HD1 PRO 29 20.906 -0.911 -3.482 201 HD3 PRO 29 HD2 PRO 29 21.456 0.280 -2.288 202 H LEU 30 H LEU 30 16.149 -0.554 -0.730 203 HA LEU 30 HA LEU 30 15.297 -2.498 -2.802 204 HB2 LEU 30 HB1 LEU 30 14.195 -1.646 -0.116 205 HB3 LEU 30 HB2 LEU 30 13.171 -2.529 -1.255 206 HG LEU 30 HG LEU 30 15.864 -3.521 -0.322 207 HD11 LEU 30 HD11 LEU 30 14.666 -4.911 1.321 208 HD12 LEU 30 HD12 LEU 30 13.100 -4.296 0.745 209 HD13 LEU 30 HD13 LEU 30 14.219 -3.214 1.579 210 HD21 LEU 30 HD21 LEU 30 15.099 -4.619 -2.376 211 HD22 LEU 30 HD22 LEU 30 13.528 -4.969 -1.616 212 HD23 LEU 30 HD23 LEU 30 15.008 -5.739 -1.005 213 H ARG 31 H ARG 31 13.528 -2.352 -3.845 214 HA ARG 31 HA ARG 31 12.177 0.273 -4.245 215 HB2 ARG 31 HB1 ARG 31 14.027 -0.050 -5.960 216 HB3 ARG 31 HB2 ARG 31 13.077 -1.412 -6.594 217 HG2 ARG 31 HG1 ARG 31 11.232 0.055 -7.150 218 HG3 ARG 31 HG2 ARG 31 11.978 1.419 -6.283 219 HD2 ARG 31 HD1 ARG 31 13.115 0.132 -8.791 220 HD3 ARG 31 HD2 ARG 31 12.171 1.642 -8.732 221 HE ARG 31 HE ARG 31 14.197 2.011 -6.885 222 HH11 ARG 31 HH12 ARG 31 14.274 1.442 -10.380 223 HH12 ARG 31 HH11 ARG 31 15.876 2.122 -10.512 224 HH21 ARG 31 HH22 ARG 31 16.109 2.917 -7.127 225 HH22 ARG 31 HH21 ARG 31 16.941 2.934 -8.658 226 H LEU 32 H LEU 32 10.096 -0.075 -3.931 227 HA LEU 32 HA LEU 32 8.897 -2.794 -4.233 228 HB2 LEU 32 HB1 LEU 32 8.832 -1.655 -2.056 229 HB3 LEU 32 HB2 LEU 32 8.014 -0.258 -2.785 230 HG LEU 32 HG LEU 32 6.105 -1.901 -3.378 231 HD11 LEU 32 HD11 LEU 32 7.548 -3.641 -1.321 232 HD12 LEU 32 HD12 LEU 32 7.391 -4.028 -3.043 233 HD13 LEU 32 HD13 LEU 32 5.946 -3.949 -2.027 234 HD21 LEU 32 HD21 LEU 32 6.839 -1.286 -0.483 235 HD22 LEU 32 HD22 LEU 32 5.236 -1.837 -1.004 236 HD23 LEU 32 HD23 LEU 32 5.873 -0.286 -1.585 237 H VAL 33 H VAL 33 7.873 -3.141 -6.092 238 HA VAL 33 HA VAL 33 7.028 -0.795 -7.770 239 HB VAL 33 HB VAL 33 7.383 -2.236 -9.728 240 HG11 VAL 33 HG11 VAL 33 9.831 -2.310 -9.680 241 HG12 VAL 33 HG12 VAL 33 9.259 -0.827 -8.916 242 HG13 VAL 33 HG13 VAL 33 9.839 -2.168 -7.913 243 HG21 VAL 33 HG21 VAL 33 6.999 -4.485 -8.683 244 HG22 VAL 33 HG22 VAL 33 8.507 -4.390 -9.600 245 HG23 VAL 33 HG23 VAL 33 8.556 -4.323 -7.835 246 H GLY 34 H GLY 34 5.874 -3.637 -6.163 247 HA2 GLY 34 HA3 GLY 34 3.130 -3.064 -6.888 248 HA3 GLY 34 HA2 GLY 34 3.725 -4.627 -7.494 249 H ALA 35 H ALA 35 1.824 -5.097 -6.126 250 HA ALA 35 HA ALA 35 2.848 -6.417 -3.738 251 HB1 ALA 35 HB1 ALA 35 0.787 -5.841 -2.421 252 HB2 ALA 35 HB2 ALA 35 1.802 -4.440 -2.758 253 HB3 ALA 35 HB3 ALA 35 0.318 -4.700 -3.703 254 H ARG 36 H ARG 36 0.937 -7.964 -3.024 255 HA ARG 36 HA ARG 36 -1.117 -8.551 -4.977 256 HB2 ARG 36 HB1 ARG 36 1.258 -10.228 -4.945 257 HB3 ARG 36 HB2 ARG 36 -0.169 -11.147 -4.443 258 HG2 ARG 36 HG1 ARG 36 -1.199 -10.003 -6.640 259 HG3 ARG 36 HG2 ARG 36 0.539 -9.927 -7.062 260 HD2 ARG 36 HD1 ARG 36 -0.215 -12.013 -7.925 261 HD3 ARG 36 HD2 ARG 36 0.655 -12.422 -6.450 262 HE ARG 36 HE ARG 36 -2.313 -12.355 -6.864 263 HH11 ARG 36 HH12 ARG 36 0.313 -13.385 -4.590 264 HH12 ARG 36 HH11 ARG 36 -0.731 -14.525 -3.860 265 HH21 ARG 36 HH22 ARG 36 -3.616 -13.539 -5.540 266 HH22 ARG 36 HH21 ARG 36 -2.917 -14.608 -4.361 267 H THR 37 H THR 37 -2.511 -10.478 -3.972 268 HA THR 37 HA THR 37 -2.490 -10.837 -1.103 269 HB THR 37 HB THR 37 -3.066 -8.552 -0.990 270 HG1 THR 37 HG1 THR 37 -4.281 -9.552 0.383 271 HG21 THR 37 HG21 THR 37 -5.127 -7.629 -2.079 272 HG22 THR 37 HG22 THR 37 -5.222 -9.093 -3.075 273 HG23 THR 37 HG23 THR 37 -3.838 -7.983 -3.234 274 HA PRO 38 HA PRO 38 -5.480 -13.782 -2.817 275 HB2 PRO 38 HB1 PRO 38 -6.672 -14.842 -0.636 276 HB3 PRO 38 HB2 PRO 38 -4.934 -15.089 -1.025 277 HG2 PRO 38 HG1 PRO 38 -6.118 -13.155 0.950 278 HG3 PRO 38 HG2 PRO 38 -4.725 -14.269 1.182 279 HD2 PRO 38 HD1 PRO 38 -4.518 -11.592 0.463 280 HD3 PRO 38 HD2 PRO 38 -3.283 -12.785 0.037 281 H VAL 39 H VAL 39 -6.396 -10.943 -1.129 282 HA VAL 39 HA VAL 39 -9.252 -11.265 -1.997 283 HB VAL 39 HB VAL 39 -9.919 -9.760 -0.160 284 HG11 VAL 39 HG11 VAL 39 -10.145 -12.189 0.036 285 HG12 VAL 39 HG12 VAL 39 -8.505 -12.309 0.712 286 HG13 VAL 39 HG13 VAL 39 -9.771 -11.447 1.602 287 HG21 VAL 39 HG21 VAL 39 -7.688 -8.659 0.261 288 HG22 VAL 39 HG22 VAL 39 -8.380 -9.380 1.723 289 HG23 VAL 39 HG23 VAL 39 -7.079 -10.216 0.860 290 H ALA 40 H ALA 40 -7.511 -10.375 -3.915 291 HA ALA 40 HA ALA 40 -9.201 -8.224 -4.804 292 HB1 ALA 40 HB1 ALA 40 -7.638 -6.490 -5.173 293 HB2 ALA 40 HB2 ALA 40 -7.375 -6.965 -3.494 294 HB3 ALA 40 HB3 ALA 40 -6.247 -7.507 -4.749 295 H GLU 41 H GLU 41 -9.065 -7.953 -7.098 296 HA GLU 41 HA GLU 41 -7.733 -10.144 -8.606 297 HB2 GLU 41 HB1 GLU 41 -10.183 -9.226 -8.889 298 HB3 GLU 41 HB2 GLU 41 -9.419 -7.901 -9.782 299 HG2 GLU 41 HG1 GLU 41 -9.879 -9.357 -11.518 300 HG3 GLU 41 HG2 GLU 41 -8.259 -9.929 -11.112 301 H ARG 42 H ARG 42 -7.898 -6.620 -8.428 302 HA ARG 42 HA ARG 42 -5.207 -6.275 -9.674 303 HB2 ARG 42 HB1 ARG 42 -7.661 -4.509 -9.483 304 HB3 ARG 42 HB2 ARG 42 -6.042 -3.778 -9.581 305 HG2 ARG 42 HG1 ARG 42 -5.647 -4.742 -11.736 306 HG3 ARG 42 HG2 ARG 42 -7.111 -5.754 -11.625 307 HD2 ARG 42 HD1 ARG 42 -7.489 -3.833 -13.099 308 HD3 ARG 42 HD2 ARG 42 -8.529 -3.760 -11.662 309 HE ARG 42 HE ARG 42 -6.660 -2.120 -10.782 310 HH11 ARG 42 HH12 ARG 42 -7.681 -2.191 -14.178 311 HH12 ARG 42 HH11 ARG 42 -7.361 -0.489 -14.353 312 HH21 ARG 42 HH22 ARG 42 -6.286 -0.058 -11.071 313 HH22 ARG 42 HH21 ARG 42 -6.490 0.712 -12.619 314 H VAL 43 H VAL 43 -3.730 -5.659 -8.323 315 HA VAL 43 HA VAL 43 -4.483 -3.853 -6.137 316 HB VAL 43 HB VAL 43 -3.578 -5.920 -5.060 317 HG11 VAL 43 HG11 VAL 43 -0.874 -5.085 -6.243 318 HG12 VAL 43 HG12 VAL 43 -1.235 -6.361 -5.080 319 HG13 VAL 43 HG13 VAL 43 -1.825 -6.508 -6.742 320 HG21 VAL 43 HG21 VAL 43 -3.488 -3.670 -3.984 321 HG22 VAL 43 HG22 VAL 43 -2.208 -4.767 -3.448 322 HG23 VAL 43 HG23 VAL 43 -1.837 -3.466 -4.595 323 H GLU 44 H GLU 44 -3.209 -2.024 -6.083 324 HA GLU 44 HA GLU 44 -1.099 -1.498 -8.064 325 HB2 GLU 44 HB1 GLU 44 -2.467 0.330 -9.068 326 HB3 GLU 44 HB2 GLU 44 -3.139 -1.286 -9.386 327 HG2 GLU 44 HG1 GLU 44 -4.623 -0.821 -7.290 328 HG3 GLU 44 HG2 GLU 44 -4.159 0.868 -7.513 329 H LEU 45 H LEU 45 0.016 0.543 -7.509 330 HA LEU 45 HA LEU 45 -0.784 1.557 -4.823 331 HB2 LEU 45 HB1 LEU 45 1.300 2.350 -4.348 332 HB3 LEU 45 HB2 LEU 45 1.481 0.673 -4.783 333 HG LEU 45 HG LEU 45 2.097 3.036 -6.547 334 HD11 LEU 45 HD11 LEU 45 3.525 3.010 -4.541 335 HD12 LEU 45 HD12 LEU 45 4.464 2.666 -5.997 336 HD13 LEU 45 HD13 LEU 45 4.019 1.337 -4.899 337 HD21 LEU 45 HD21 LEU 45 1.798 0.991 -7.921 338 HD22 LEU 45 HD22 LEU 45 2.809 0.050 -6.798 339 HD23 LEU 45 HD23 LEU 45 3.530 1.310 -7.812 340 H HIS 46 H HIS 46 -1.135 3.493 -4.365 341 HA HIS 46 HA HIS 46 -1.322 5.548 -6.508 342 HB2 HIS 46 HB1 HIS 46 -3.105 4.895 -4.128 343 HB3 HIS 46 HB2 HIS 46 -3.283 6.366 -5.083 344 HD2 HIS 46 HD2 HIS 46 -2.833 3.780 -7.656 345 HE1 HIS 46 HE1 HIS 46 -6.922 3.413 -6.595 346 HE2 HIS 46 HE2 HIS 46 -5.164 2.773 -8.361 347 H GLU 47 H GLU 47 -1.003 7.565 -5.988 348 HA GLU 47 HA GLU 47 0.461 8.268 -3.523 349 HB2 GLU 47 HB1 GLU 47 0.972 10.372 -4.612 350 HB3 GLU 47 HB2 GLU 47 1.405 8.987 -5.660 351 HG2 GLU 47 HG1 GLU 47 -0.490 9.349 -7.065 352 HG3 GLU 47 HG2 GLU 47 -1.180 10.560 -5.969 353 H THR 48 H THR 48 -0.260 10.214 -2.343 354 HA THR 48 HA THR 48 -3.135 11.034 -2.750 355 HB THR 48 HB THR 48 -1.619 10.752 -0.127 356 HG1 THR 48 HG1 THR 48 -3.094 9.139 0.368 357 HG21 THR 48 HG21 THR 48 -3.908 11.142 0.891 358 HG22 THR 48 HG22 THR 48 -4.533 11.445 -0.745 359 HG23 THR 48 HG23 THR 48 -3.323 12.531 -0.033 360 H PHE 49 H PHE 49 -3.148 13.320 -3.014 361 HA PHE 49 HA PHE 49 -0.737 14.858 -2.124 362 HB2 PHE 49 HB1 PHE 49 -0.728 16.016 -4.285 363 HB3 PHE 49 HB2 PHE 49 -0.343 14.298 -4.407 364 HD1 PHE 49 HD2 PHE 49 -3.074 16.815 -4.919 365 HD2 PHE 49 HD1 PHE 49 -1.590 12.894 -5.871 366 HE1 PHE 49 HE2 PHE 49 -4.829 16.581 -6.651 367 HE2 PHE 49 HE1 PHE 49 -3.325 12.664 -7.617 368 HZ PHE 49 HZ PHE 49 -4.930 14.523 -8.050 369 H MET 50 H MET 50 -0.970 17.192 -2.384 370 HA MET 50 HA MET 50 -3.689 18.241 -1.792 371 HB2 MET 50 HB1 MET 50 -2.007 18.698 -0.046 372 HB3 MET 50 HB2 MET 50 -0.943 19.457 -1.249 373 HG2 MET 50 HG1 MET 50 -2.577 21.172 -1.701 374 HG3 MET 50 HG2 MET 50 -3.789 20.343 -0.720 375 HE1 MET 50 HE1 MET 50 -4.543 21.554 1.297 376 HE2 MET 50 HE2 MET 50 -3.663 20.142 1.935 377 HE3 MET 50 HE3 MET 50 -3.446 21.733 2.688 378 H ARG 51 H ARG 51 -4.458 19.952 -3.075 379 HA ARG 51 HA ARG 51 -2.985 20.773 -5.493 380 HB2 ARG 51 HB1 ARG 51 -4.511 18.474 -5.530 381 HB3 ARG 51 HB2 ARG 51 -5.669 19.672 -6.106 382 HG2 ARG 51 HG1 ARG 51 -2.921 19.665 -7.342 383 HG3 ARG 51 HG2 ARG 51 -4.027 18.325 -7.758 384 HD2 ARG 51 HD1 ARG 51 -5.731 19.889 -8.497 385 HD3 ARG 51 HD2 ARG 51 -4.688 21.253 -8.036 386 HE ARG 51 HE ARG 51 -3.430 19.445 -9.911 387 HH11 ARG 51 HH12 ARG 51 -5.631 22.237 -9.676 388 HH12 ARG 51 HH11 ARG 51 -5.341 22.726 -11.310 389 HH21 ARG 51 HH22 ARG 51 -3.081 20.128 -12.021 390 HH22 ARG 51 HH21 ARG 51 -3.907 21.521 -12.646 391 H GLU 52 H GLU 52 -4.021 22.632 -6.586 392 HA GLU 52 HA GLU 52 -6.084 24.045 -5.042 393 HB2 GLU 52 HB1 GLU 52 -3.901 25.068 -5.833 394 HB3 GLU 52 HB2 GLU 52 -4.458 24.791 -7.503 395 HG2 GLU 52 HG1 GLU 52 -5.148 26.953 -7.166 396 HG3 GLU 52 HG2 GLU 52 -6.610 26.118 -6.677 397 H VAL 53 H VAL 53 -8.134 24.157 -5.783 398 HA VAL 53 HA VAL 53 -8.686 23.878 -8.704 399 HB VAL 53 HB VAL 53 -10.261 22.682 -6.385 400 HG11 VAL 53 HG11 VAL 53 -11.205 23.121 -9.248 401 HG12 VAL 53 HG12 VAL 53 -11.979 22.009 -8.096 402 HG13 VAL 53 HG13 VAL 53 -11.946 23.735 -7.742 403 HG21 VAL 53 HG21 VAL 53 -10.095 20.591 -7.707 404 HG22 VAL 53 HG22 VAL 53 -9.167 21.447 -8.956 405 HG23 VAL 53 HG23 VAL 53 -8.493 21.227 -7.330 406 H GLU 54 H GLU 54 -9.541 25.780 -9.415 407 HA GLU 54 HA GLU 54 -10.171 27.925 -9.460 408 HB2 GLU 54 HB1 GLU 54 -12.117 26.937 -7.345 409 HB3 GLU 54 HB2 GLU 54 -12.357 28.326 -8.437 410 HG2 GLU 54 HG1 GLU 54 -12.306 25.393 -9.169 411 HG3 GLU 54 HG2 GLU 54 -13.646 26.547 -9.327 412 H GLY 55 H GLY 55 -8.062 27.497 -7.293 413 HA2 GLY 55 HA3 GLY 55 -6.938 29.094 -5.950 414 HA3 GLY 55 HA2 GLY 55 -8.429 30.058 -5.852 415 H LYS 56 H LYS 56 -9.103 26.814 -5.205 416 HA LYS 56 HA LYS 56 -9.003 27.162 -2.261 417 HB2 LYS 56 HB1 LYS 56 -11.148 25.928 -4.010 418 HB3 LYS 56 HB2 LYS 56 -10.940 25.493 -2.284 419 HG2 LYS 56 HG1 LYS 56 -12.110 27.257 -1.668 420 HG3 LYS 56 HG2 LYS 56 -10.933 28.340 -2.431 421 HD2 LYS 56 HD1 LYS 56 -13.309 27.096 -3.884 422 HD3 LYS 56 HD2 LYS 56 -13.291 28.725 -3.150 423 HE2 LYS 56 HE1 LYS 56 -11.247 29.231 -4.528 424 HE3 LYS 56 HE2 LYS 56 -11.457 27.679 -5.353 425 HZ1 LYS 56 HZ1 LYS 56 -13.560 28.507 -6.206 426 HZ2 LYS 56 HZ2 LYS 56 -12.314 29.503 -6.584 427 HZ3 LYS 56 HZ3 LYS 56 -13.370 29.947 -5.402 428 H LYS 57 H LYS 57 -7.796 25.901 -1.337 429 HA LYS 57 HA LYS 57 -6.277 23.794 -2.570 430 HB2 LYS 57 HB1 LYS 57 -6.440 24.606 0.352 431 HB3 LYS 57 HB2 LYS 57 -5.227 23.516 -0.390 432 HG2 LYS 57 HG1 LYS 57 -4.005 25.418 -0.363 433 HG3 LYS 57 HG2 LYS 57 -4.767 25.624 -1.931 434 HD2 LYS 57 HD1 LYS 57 -6.572 27.003 -0.599 435 HD3 LYS 57 HD2 LYS 57 -5.373 26.976 0.724 436 HE2 LYS 57 HE1 LYS 57 -4.912 29.003 -0.369 437 HE3 LYS 57 HE2 LYS 57 -3.709 27.885 -1.045 438 HZ1 LYS 57 HZ1 LYS 57 -4.681 29.025 -2.891 439 HZ2 LYS 57 HZ2 LYS 57 -6.220 28.805 -2.370 440 HZ3 LYS 57 HZ3 LYS 57 -5.331 27.579 -2.940 441 H VAL 58 H VAL 58 -6.938 21.807 -2.871 442 HA VAL 58 HA VAL 58 -8.796 20.410 -1.007 443 HB VAL 58 HB VAL 58 -9.532 19.152 -2.995 444 HG11 VAL 58 HG11 VAL 58 -11.049 20.839 -3.907 445 HG12 VAL 58 HG12 VAL 58 -10.867 21.056 -2.156 446 HG13 VAL 58 HG13 VAL 58 -10.020 22.142 -3.280 447 HG21 VAL 58 HG21 VAL 58 -9.139 19.880 -5.264 448 HG22 VAL 58 HG22 VAL 58 -8.139 21.235 -4.715 449 HG23 VAL 58 HG23 VAL 58 -7.578 19.560 -4.499 450 H MET 59 H MET 59 -8.558 17.922 -1.582 451 HA MET 59 HA MET 59 -5.710 17.196 -2.062 452 HB2 MET 59 HB1 MET 59 -7.572 16.042 0.029 453 HB3 MET 59 HB2 MET 59 -6.140 15.166 -0.584 454 HG2 MET 59 HG1 MET 59 -4.709 17.074 0.053 455 HG3 MET 59 HG2 MET 59 -6.110 17.898 0.746 456 HE1 MET 59 HE1 MET 59 -3.488 17.566 2.070 457 HE2 MET 59 HE2 MET 59 -4.689 18.052 3.297 458 HE3 MET 59 HE3 MET 59 -3.604 16.681 3.608 459 H GLY 60 H GLY 60 -5.400 15.094 -2.936 460 HA2 GLY 60 HA3 GLY 60 -7.579 13.877 -4.482 461 HA3 GLY 60 HA2 GLY 60 -6.318 14.708 -5.422 462 H MET 61 H MET 61 -6.347 12.281 -6.163 463 HA MET 61 HA MET 61 -4.125 10.796 -4.974 464 HB2 MET 61 HB1 MET 61 -5.974 10.160 -3.558 465 HB3 MET 61 HB2 MET 61 -7.026 9.946 -4.964 466 HG2 MET 61 HG1 MET 61 -5.267 8.126 -5.616 467 HG3 MET 61 HG2 MET 61 -4.841 8.227 -3.914 468 HE1 MET 61 HE1 MET 61 -8.821 7.255 -2.756 469 HE2 MET 61 HE2 MET 61 -7.452 8.261 -2.204 470 HE3 MET 61 HE3 MET 61 -8.519 8.822 -3.520 471 H ARG 62 H ARG 62 -3.219 9.443 -6.444 472 HA ARG 62 HA ARG 62 -4.301 9.036 -9.201 473 HB2 ARG 62 HB1 ARG 62 -2.038 10.729 -8.254 474 HB3 ARG 62 HB2 ARG 62 -1.670 9.767 -9.665 475 HG2 ARG 62 HG1 ARG 62 -4.151 11.486 -9.659 476 HG3 ARG 62 HG2 ARG 62 -2.516 12.227 -9.811 477 HD2 ARG 62 HD1 ARG 62 -3.049 11.980 -12.013 478 HD3 ARG 62 HD2 ARG 62 -2.187 10.474 -11.717 479 HE ARG 62 HE ARG 62 -5.052 10.271 -11.247 480 HH11 ARG 62 HH12 ARG 62 -2.662 10.202 -13.831 481 HH12 ARG 62 HH11 ARG 62 -3.776 9.576 -15.018 482 HH21 ARG 62 HH22 ARG 62 -6.443 9.359 -12.767 483 HH22 ARG 62 HH21 ARG 62 -5.895 9.039 -14.382 484 HA PRO 63 HA PRO 63 -1.778 5.305 -8.480 485 HB2 PRO 63 HB1 PRO 63 -1.619 4.148 -10.893 486 HB3 PRO 63 HB2 PRO 63 -3.194 4.332 -10.066 487 HG2 PRO 63 HG1 PRO 63 -2.004 6.104 -12.218 488 HG3 PRO 63 HG2 PRO 63 -3.671 5.431 -12.129 489 HD2 PRO 63 HD1 PRO 63 -2.978 7.991 -11.289 490 HD3 PRO 63 HD2 PRO 63 -4.327 7.060 -10.581 491 H VAL 64 H VAL 64 0.430 4.621 -8.486 492 HA VAL 64 HA VAL 64 2.297 6.267 -10.158 493 HB VAL 64 HB VAL 64 3.772 6.520 -8.125 494 HG11 VAL 64 HG11 VAL 64 2.741 8.522 -7.411 495 HG12 VAL 64 HG12 VAL 64 2.439 8.323 -9.139 496 HG13 VAL 64 HG13 VAL 64 1.137 7.974 -7.975 497 HG21 VAL 64 HG21 VAL 64 2.647 6.576 -5.908 498 HG22 VAL 64 HG22 VAL 64 1.315 5.637 -6.589 499 HG23 VAL 64 HG23 VAL 64 2.974 4.978 -6.548 500 HA PRO 65 HA PRO 65 4.143 2.584 -11.036 501 HB2 PRO 65 HB1 PRO 65 6.611 3.157 -11.887 502 HB3 PRO 65 HB2 PRO 65 5.173 3.976 -12.575 503 HG2 PRO 65 HG1 PRO 65 7.054 5.005 -10.438 504 HG3 PRO 65 HG2 PRO 65 6.454 5.867 -11.899 505 HD2 PRO 65 HD1 PRO 65 5.322 6.098 -9.375 506 HD3 PRO 65 HD2 PRO 65 4.402 6.309 -10.881 507 H PHE 66 H PHE 66 5.907 3.993 -8.310 508 HA PHE 66 HA PHE 66 6.359 1.513 -7.021 509 HB2 PHE 66 HB1 PHE 66 8.740 1.186 -7.219 510 HB3 PHE 66 HB2 PHE 66 8.016 1.059 -8.807 511 HD1 PHE 66 HD2 PHE 66 10.200 3.005 -6.607 512 HD2 PHE 66 HD1 PHE 66 8.423 2.804 -10.510 513 HE1 PHE 66 HE2 PHE 66 11.700 4.808 -7.336 514 HE2 PHE 66 HE1 PHE 66 10.012 4.572 -11.313 515 HZ PHE 66 HZ PHE 66 11.646 5.581 -9.723 516 H LEU 67 H LEU 67 7.847 1.661 -5.163 517 HA LEU 67 HA LEU 67 8.469 4.428 -4.205 518 HB2 LEU 67 HB1 LEU 67 7.955 1.949 -2.509 519 HB3 LEU 67 HB2 LEU 67 8.293 3.576 -1.908 520 HG LEU 67 HG LEU 67 5.749 2.515 -3.190 521 HD11 LEU 67 HD11 LEU 67 4.785 3.203 -1.017 522 HD12 LEU 67 HD12 LEU 67 6.374 3.817 -0.502 523 HD13 LEU 67 HD13 LEU 67 6.138 2.078 -0.777 524 HD21 LEU 67 HD21 LEU 67 4.782 4.773 -2.883 525 HD22 LEU 67 HD22 LEU 67 6.061 4.777 -4.094 526 HD23 LEU 67 HD23 LEU 67 6.395 5.409 -2.465 527 H GLU 68 H GLU 68 10.450 4.612 -2.988 528 HA GLU 68 HA GLU 68 12.517 2.507 -3.534 529 HB2 GLU 68 HB1 GLU 68 12.772 4.544 -4.984 530 HB3 GLU 68 HB2 GLU 68 12.827 5.543 -3.508 531 HG2 GLU 68 HG1 GLU 68 15.065 5.327 -3.998 532 HG3 GLU 68 HG2 GLU 68 14.876 4.020 -2.843 533 H VAL 69 H VAL 69 13.818 2.012 -1.766 534 HA VAL 69 HA VAL 69 13.826 3.913 0.460 535 HB VAL 69 HB VAL 69 13.419 0.885 0.861 536 HG11 VAL 69 HG11 VAL 69 14.675 1.894 2.758 537 HG12 VAL 69 HG12 VAL 69 13.385 3.093 2.967 538 HG13 VAL 69 HG13 VAL 69 13.065 1.374 3.251 539 HG21 VAL 69 HG21 VAL 69 11.294 1.822 0.117 540 HG22 VAL 69 HG22 VAL 69 11.189 1.501 1.844 541 HG23 VAL 69 HG23 VAL 69 11.430 3.160 1.284 542 HA PRO 70 HA PRO 70 18.170 2.877 0.291 543 HB2 PRO 70 HB1 PRO 70 19.174 4.484 2.225 544 HB3 PRO 70 HB2 PRO 70 18.422 5.153 0.745 545 HG2 PRO 70 HG1 PRO 70 17.124 4.733 3.458 546 HG3 PRO 70 HG2 PRO 70 17.126 6.229 2.455 547 HD2 PRO 70 HD1 PRO 70 15.058 4.428 2.416 548 HD3 PRO 70 HD2 PRO 70 15.562 5.325 0.954 549 HA PRO 71 HA PRO 71 18.879 -0.404 3.045 550 HB2 PRO 71 HB1 PRO 71 21.601 -0.526 3.380 551 HB3 PRO 71 HB2 PRO 71 20.726 -0.960 1.879 552 HG2 PRO 71 HG1 PRO 71 22.054 1.676 2.558 553 HG3 PRO 71 HG2 PRO 71 22.218 0.710 1.047 554 HD2 PRO 71 HD1 PRO 71 20.501 2.806 1.189 555 HD3 PRO 71 HD2 PRO 71 20.036 1.304 0.340 556 H LYS 72 H LYS 72 18.982 -1.065 5.067 557 HA LYS 72 HA LYS 72 18.942 -1.116 7.288 558 HB2 LYS 72 HB1 LYS 72 20.967 1.133 7.317 559 HB3 LYS 72 HB2 LYS 72 20.650 -0.049 8.602 560 HG2 LYS 72 HG1 LYS 72 21.863 -0.605 5.872 561 HG3 LYS 72 HG2 LYS 72 22.714 -0.575 7.430 562 HD2 LYS 72 HD1 LYS 72 21.528 -2.580 8.165 563 HD3 LYS 72 HD2 LYS 72 20.505 -2.562 6.701 564 HE2 LYS 72 HE1 LYS 72 22.449 -2.835 5.277 565 HE3 LYS 72 HE2 LYS 72 23.544 -2.828 6.660 566 HZ1 LYS 72 HZ1 LYS 72 21.416 -4.845 6.192 567 HZ2 LYS 72 HZ2 LYS 72 22.570 -4.892 7.377 568 HZ3 LYS 72 HZ3 LYS 72 22.999 -5.031 5.800 569 H GLY 73 H GLY 73 17.968 1.684 5.736 570 HA2 GLY 73 HA3 GLY 73 16.701 2.958 8.063 571 HA3 GLY 73 HA2 GLY 73 16.491 3.400 6.353 572 H ARG 74 H ARG 74 14.351 3.422 8.004 573 HA ARG 74 HA ARG 74 12.713 1.506 6.515 574 HB2 ARG 74 HB1 ARG 74 11.101 1.121 8.217 575 HB3 ARG 74 HB2 ARG 74 12.707 0.622 8.803 576 HG2 ARG 74 HG1 ARG 74 11.771 1.551 10.661 577 HG3 ARG 74 HG2 ARG 74 12.728 2.893 10.044 578 HD2 ARG 74 HD1 ARG 74 10.701 3.809 10.818 579 HD3 ARG 74 HD2 ARG 74 10.571 3.785 9.064 580 HE ARG 74 HE ARG 74 9.345 1.423 10.023 581 HH11 ARG 74 HH12 ARG 74 8.739 4.936 10.344 582 HH12 ARG 74 HH11 ARG 74 7.004 4.634 10.407 583 HH21 ARG 74 HH22 ARG 74 6.920 1.317 10.148 584 HH22 ARG 74 HH21 ARG 74 6.135 2.852 10.395 585 H VAL 75 H VAL 75 10.761 2.215 5.927 586 HA VAL 75 HA VAL 75 9.925 5.054 6.204 587 HB VAL 75 HB VAL 75 10.336 3.538 3.581 588 HG11 VAL 75 HG11 VAL 75 8.946 6.217 4.026 589 HG12 VAL 75 HG12 VAL 75 9.592 5.700 2.454 590 HG13 VAL 75 HG13 VAL 75 8.307 4.770 3.195 591 HG21 VAL 75 HG21 VAL 75 12.405 4.616 4.435 592 HG22 VAL 75 HG22 VAL 75 11.836 5.425 2.980 593 HG23 VAL 75 HG23 VAL 75 11.550 6.164 4.571 594 H GLU 76 H GLU 76 7.437 5.053 5.224 595 HA GLU 76 HA GLU 76 6.189 2.472 5.048 596 HB2 GLU 76 HB1 GLU 76 4.444 3.161 6.758 597 HB3 GLU 76 HB2 GLU 76 5.979 2.573 7.421 598 HG2 GLU 76 HG1 GLU 76 6.682 4.736 8.035 599 HG3 GLU 76 HG2 GLU 76 5.443 5.504 7.034 600 H LEU 77 H LEU 77 3.934 2.757 4.411 601 HA LEU 77 HA LEU 77 4.001 4.188 2.050 602 HB2 LEU 77 HB1 LEU 77 2.191 2.440 3.542 603 HB3 LEU 77 HB2 LEU 77 1.275 3.647 2.608 604 HG LEU 77 HG LEU 77 2.407 2.979 0.566 605 HD11 LEU 77 HD11 LEU 77 4.595 2.165 1.367 606 HD12 LEU 77 HD12 LEU 77 3.772 0.880 0.464 607 HD13 LEU 77 HD13 LEU 77 3.805 0.846 2.244 608 HD21 LEU 77 HD21 LEU 77 1.142 1.077 0.192 609 HD22 LEU 77 HD22 LEU 77 0.336 1.731 1.634 610 HD23 LEU 77 HD23 LEU 77 1.457 0.389 1.805 611 H LYS 78 H LYS 78 2.336 5.239 4.954 612 HA LYS 78 HA LYS 78 1.612 7.234 5.715 613 HB2 LYS 78 HB1 LYS 78 3.661 8.191 4.975 614 HB3 LYS 78 HB2 LYS 78 3.055 8.382 3.319 615 HG2 LYS 78 HG1 LYS 78 1.422 10.026 4.055 616 HG3 LYS 78 HG2 LYS 78 1.950 9.836 5.736 617 HD2 LYS 78 HD1 LYS 78 3.031 11.809 4.840 618 HD3 LYS 78 HD2 LYS 78 4.272 10.551 4.994 619 HE2 LYS 78 HE1 LYS 78 3.880 9.994 2.547 620 HE3 LYS 78 HE2 LYS 78 2.760 11.374 2.469 621 HZ1 LYS 78 HZ1 LYS 78 5.648 11.479 3.068 622 HZ2 LYS 78 HZ2 LYS 78 4.642 12.783 3.103 623 HZ3 LYS 78 HZ3 LYS 78 4.920 11.989 1.685 624 HA PRO 79 HA PRO 79 -2.219 6.846 3.320 625 HB2 PRO 79 HB1 PRO 79 -3.985 8.053 5.058 626 HB3 PRO 79 HB2 PRO 79 -3.378 6.378 5.241 627 HG2 PRO 79 HG1 PRO 79 -2.355 8.889 6.586 628 HG3 PRO 79 HG2 PRO 79 -2.718 7.293 7.337 629 HD2 PRO 79 HD1 PRO 79 -0.179 8.007 6.657 630 HD3 PRO 79 HD2 PRO 79 -0.764 6.334 6.436 631 H GLY 80 H GLY 80 -1.258 9.923 4.856 632 HA2 GLY 80 HA3 GLY 80 -2.239 11.576 2.653 633 HA3 GLY 80 HA2 GLY 80 -1.245 12.088 4.037 634 H GLY 81 H GLY 81 -0.516 9.455 1.658 635 HA2 GLY 81 HA3 GLY 81 0.668 11.145 -0.192 636 HA3 GLY 81 HA2 GLY 81 1.992 10.584 0.854 637 H TYR 82 H TYR 82 1.178 7.828 1.056 638 HA TYR 82 HA TYR 82 0.671 6.904 -1.662 639 HB2 TYR 82 HB1 TYR 82 3.036 5.822 -0.113 640 HB3 TYR 82 HB2 TYR 82 2.379 5.197 -1.642 641 HD1 TYR 82 HD2 TYR 82 2.268 6.753 -3.623 642 HD2 TYR 82 HD1 TYR 82 4.699 7.473 -0.155 643 HE1 TYR 82 HE2 TYR 82 3.545 8.442 -4.895 644 HE2 TYR 82 HE1 TYR 82 6.033 9.149 -1.430 645 HH TYR 82 HH TYR 82 6.275 10.265 -3.431 646 H HIS 83 H HIS 83 -0.218 4.892 -1.881 647 HA HIS 83 HA HIS 83 -0.456 3.098 0.352 648 HB2 HIS 83 HB1 HIS 83 -2.837 3.149 0.784 649 HB3 HIS 83 HB2 HIS 83 -2.068 4.688 1.206 650 HD1 HIS 83 HD1 HIS 83 -2.494 6.751 -0.553 651 HD2 HIS 83 HD2 HIS 83 -4.662 3.188 -1.245 652 HE1 HIS 83 HE1 HIS 83 -4.121 7.263 -2.383 653 H PHE 84 H PHE 84 -1.474 1.044 -0.216 654 HA PHE 84 HA PHE 84 -1.640 0.600 -3.141 655 HB2 PHE 84 HB1 PHE 84 -1.850 -1.228 -0.740 656 HB3 PHE 84 HB2 PHE 84 -2.221 -1.759 -2.395 657 HD1 PHE 84 HD1 PHE 84 -0.410 -1.541 -4.189 658 HD2 PHE 84 HD2 PHE 84 0.397 -1.199 0.026 659 HE1 PHE 84 HE1 PHE 84 2.013 -1.866 -4.629 660 HE2 PHE 84 HE2 PHE 84 2.829 -1.448 -0.424 661 HZ PHE 84 HZ PHE 84 3.636 -1.786 -2.743 662 H MET 85 H MET 85 -3.500 0.272 -4.240 663 HA MET 85 HA MET 85 -6.142 0.433 -2.837 664 HB2 MET 85 HB1 MET 85 -5.378 2.026 -4.850 665 HB3 MET 85 HB2 MET 85 -6.039 0.667 -5.776 666 HG2 MET 85 HG1 MET 85 -7.906 2.032 -5.438 667 HG3 MET 85 HG2 MET 85 -8.079 0.827 -4.168 668 HE1 MET 85 HE1 MET 85 -9.735 2.053 -2.787 669 HE2 MET 85 HE2 MET 85 -9.600 3.707 -2.151 670 HE3 MET 85 HE3 MET 85 -9.879 3.442 -3.888 671 H LEU 86 H LEU 86 -7.395 -1.341 -2.937 672 HA LEU 86 HA LEU 86 -6.563 -3.730 -4.565 673 HB2 LEU 86 HB1 LEU 86 -7.925 -3.368 -1.876 674 HB3 LEU 86 HB2 LEU 86 -8.118 -4.863 -2.835 675 HG LEU 86 HG LEU 86 -5.704 -5.279 -2.686 676 HD11 LEU 86 HD11 LEU 86 -5.635 -2.884 -0.798 677 HD12 LEU 86 HD12 LEU 86 -4.798 -2.996 -2.355 678 HD13 LEU 86 HD13 LEU 86 -4.323 -4.069 -1.049 679 HD21 LEU 86 HD21 LEU 86 -7.098 -4.784 -0.010 680 HD22 LEU 86 HD22 LEU 86 -5.732 -5.894 -0.275 681 HD23 LEU 86 HD23 LEU 86 -7.300 -6.224 -1.031 682 H LEU 87 H LEU 87 -7.914 -4.177 -6.217 683 HA LEU 87 HA LEU 87 -10.789 -3.329 -6.022 684 HB2 LEU 87 HB1 LEU 87 -8.850 -3.123 -8.333 685 HB3 LEU 87 HB2 LEU 87 -10.611 -3.261 -8.590 686 HG LEU 87 HG LEU 87 -10.880 -1.165 -7.209 687 HD11 LEU 87 HD11 LEU 87 -7.849 -1.042 -7.513 688 HD12 LEU 87 HD12 LEU 87 -8.796 -0.896 -6.019 689 HD13 LEU 87 HD13 LEU 87 -8.856 0.388 -7.215 690 HD21 LEU 87 HD21 LEU 87 -11.008 -1.218 -9.672 691 HD22 LEU 87 HD22 LEU 87 -9.249 -0.963 -9.775 692 HD23 LEU 87 HD23 LEU 87 -10.304 0.298 -9.097 693 H GLY 88 H GLY 88 -12.270 -4.837 -6.462 694 HA2 GLY 88 HA3 GLY 88 -13.211 -6.822 -7.185 695 HA3 GLY 88 HA2 GLY 88 -11.677 -7.254 -7.973 696 H LEU 89 H LEU 89 -12.338 -6.507 -4.523 697 HA LEU 89 HA LEU 89 -10.837 -8.629 -3.515 698 HB2 LEU 89 HB1 LEU 89 -12.026 -8.317 -1.371 699 HB3 LEU 89 HB2 LEU 89 -11.200 -6.915 -2.065 700 HG LEU 89 HG LEU 89 -13.446 -6.000 -2.728 701 HD11 LEU 89 HD11 LEU 89 -14.469 -8.464 -1.240 702 HD12 LEU 89 HD12 LEU 89 -14.841 -7.961 -2.908 703 HD13 LEU 89 HD13 LEU 89 -15.459 -7.026 -1.548 704 HD21 LEU 89 HD21 LEU 89 -12.325 -5.334 -0.634 705 HD22 LEU 89 HD22 LEU 89 -13.081 -6.701 0.214 706 HD23 LEU 89 HD23 LEU 89 -14.078 -5.380 -0.403 707 H LYS 90 H LYS 90 -11.251 -10.333 -2.308 708 HA LYS 90 HA LYS 90 -13.316 -12.142 -3.530 709 HB2 LYS 90 HB1 LYS 90 -10.674 -12.903 -2.285 710 HB3 LYS 90 HB2 LYS 90 -11.782 -13.956 -3.193 711 HG2 LYS 90 HG1 LYS 90 -10.189 -11.611 -4.299 712 HG3 LYS 90 HG2 LYS 90 -9.881 -13.351 -4.550 713 HD2 LYS 90 HD1 LYS 90 -12.025 -13.543 -5.773 714 HD3 LYS 90 HD2 LYS 90 -12.286 -11.794 -5.584 715 HE2 LYS 90 HE1 LYS 90 -10.300 -11.278 -6.849 716 HE3 LYS 90 HE2 LYS 90 -9.812 -12.982 -6.914 717 HZ1 LYS 90 HZ1 LYS 90 -12.128 -11.753 -8.292 718 HZ2 LYS 90 HZ2 LYS 90 -11.821 -13.385 -8.270 719 HZ3 LYS 90 HZ3 LYS 90 -10.793 -12.334 -8.959 720 H ARG 91 H ARG 91 -12.570 -10.677 -0.583 721 HA ARG 91 HA ARG 91 -14.782 -12.089 0.729 722 HB2 ARG 91 HB1 ARG 91 -12.097 -11.624 2.088 723 HB3 ARG 91 HB2 ARG 91 -13.575 -12.188 2.891 724 HG2 ARG 91 HG1 ARG 91 -13.493 -14.283 1.634 725 HG3 ARG 91 HG2 ARG 91 -12.073 -13.704 0.714 726 HD2 ARG 91 HD1 ARG 91 -11.211 -15.147 2.345 727 HD3 ARG 91 HD2 ARG 91 -10.819 -13.511 2.864 728 HE ARG 91 HE ARG 91 -12.789 -15.405 4.065 729 HH11 ARG 91 HH12 ARG 91 -11.183 -12.198 4.459 730 HH12 ARG 91 HH11 ARG 91 -11.783 -12.144 6.115 731 HH21 ARG 91 HH22 ARG 91 -13.380 -15.065 6.273 732 HH22 ARG 91 HH21 ARG 91 -12.910 -13.533 7.000 733 HA PRO 92 HA PRO 92 -15.325 -7.681 1.793 734 HB2 PRO 92 HB1 PRO 92 -17.230 -7.817 3.732 735 HB3 PRO 92 HB2 PRO 92 -17.600 -8.125 2.007 736 HG2 PRO 92 HG1 PRO 92 -17.020 -10.163 4.178 737 HG3 PRO 92 HG2 PRO 92 -18.374 -10.165 2.995 738 HD2 PRO 92 HD1 PRO 92 -16.075 -11.614 2.612 739 HD3 PRO 92 HD2 PRO 92 -16.951 -10.860 1.249 740 H LEU 93 H LEU 93 -14.637 -6.282 3.457 741 HA LEU 93 HA LEU 93 -12.754 -7.591 5.375 742 HB2 LEU 93 HB1 LEU 93 -12.637 -4.966 3.854 743 HB3 LEU 93 HB2 LEU 93 -11.359 -5.591 4.901 744 HG LEU 93 HG LEU 93 -12.331 -6.934 2.336 745 HD11 LEU 93 HD11 LEU 93 -9.873 -5.227 2.837 746 HD12 LEU 93 HD12 LEU 93 -11.286 -4.785 1.861 747 HD13 LEU 93 HD13 LEU 93 -10.236 -6.116 1.340 748 HD21 LEU 93 HD21 LEU 93 -9.935 -7.518 4.115 749 HD22 LEU 93 HD22 LEU 93 -10.265 -8.275 2.540 750 HD23 LEU 93 HD23 LEU 93 -11.358 -8.562 3.898 751 H LYS 94 H LYS 94 -14.104 -7.641 7.220 752 HA LYS 94 HA LYS 94 -15.066 -5.072 8.299 753 HB2 LYS 94 HB1 LYS 94 -15.957 -6.313 10.141 754 HB3 LYS 94 HB2 LYS 94 -16.400 -7.158 8.649 755 HG2 LYS 94 HG1 LYS 94 -14.744 -8.850 9.023 756 HG3 LYS 94 HG2 LYS 94 -13.982 -7.929 10.332 757 HD2 LYS 94 HD1 LYS 94 -16.637 -8.303 11.158 758 HD3 LYS 94 HD2 LYS 94 -16.148 -9.848 10.427 759 HE2 LYS 94 HE1 LYS 94 -14.785 -8.356 12.716 760 HE3 LYS 94 HE2 LYS 94 -15.669 -9.895 12.814 761 HZ1 LYS 94 HZ1 LYS 94 -13.888 -10.762 11.245 762 HZ2 LYS 94 HZ2 LYS 94 -13.300 -10.367 12.750 763 HZ3 LYS 94 HZ3 LYS 94 -13.077 -9.407 11.459 764 H ALA 95 H ALA 95 -14.460 -4.497 10.594 765 HA ALA 95 HA ALA 95 -11.626 -4.198 10.998 766 HB1 ALA 95 HB1 ALA 95 -13.363 -2.601 11.872 767 HB2 ALA 95 HB2 ALA 95 -13.974 -3.891 12.938 768 HB3 ALA 95 HB3 ALA 95 -12.331 -3.257 13.155 769 H GLY 96 H GLY 96 -10.321 -5.599 11.787 770 HA2 GLY 96 HA3 GLY 96 -9.402 -7.328 13.050 771 HA3 GLY 96 HA2 GLY 96 -10.979 -7.556 13.840 772 H GLU 97 H GLU 97 -10.565 -7.717 10.326 773 HA GLU 97 HA GLU 97 -10.342 -10.704 10.346 774 HB2 GLU 97 HB1 GLU 97 -10.184 -8.750 8.031 775 HB3 GLU 97 HB2 GLU 97 -10.142 -10.510 7.902 776 HG2 GLU 97 HG1 GLU 97 -12.529 -8.928 8.899 777 HG3 GLU 97 HG2 GLU 97 -12.283 -9.433 7.209 778 H GLU 98 H GLU 98 -8.324 -11.160 8.645 779 HA GLU 98 HA GLU 98 -6.171 -9.319 8.872 780 HB2 GLU 98 HB1 GLU 98 -5.761 -12.258 9.542 781 HB3 GLU 98 HB2 GLU 98 -4.508 -10.999 9.355 782 HG2 GLU 98 HG1 GLU 98 -5.887 -9.830 11.309 783 HG3 GLU 98 HG2 GLU 98 -6.406 -11.491 11.641 784 H VAL 99 H VAL 99 -4.908 -9.574 7.156 785 HA VAL 99 HA VAL 99 -5.790 -11.273 4.837 786 HB VAL 99 HB VAL 99 -5.480 -8.243 4.934 787 HG11 VAL 99 HG11 VAL 99 -5.591 -10.082 2.506 788 HG12 VAL 99 HG12 VAL 99 -5.973 -8.341 2.433 789 HG13 VAL 99 HG13 VAL 99 -4.358 -8.864 2.893 790 HG21 VAL 99 HG21 VAL 99 -7.714 -9.089 5.551 791 HG22 VAL 99 HG22 VAL 99 -7.757 -8.254 3.996 792 HG23 VAL 99 HG23 VAL 99 -7.790 -10.032 4.049 793 H GLU 100 H GLU 100 -4.184 -12.131 3.699 794 HA GLU 100 HA GLU 100 -1.406 -11.486 4.308 795 HB2 GLU 100 HB1 GLU 100 -2.465 -13.304 2.136 796 HB3 GLU 100 HB2 GLU 100 -0.803 -13.191 2.773 797 HG2 GLU 100 HG1 GLU 100 -2.042 -13.768 5.069 798 HG3 GLU 100 HG2 GLU 100 -3.258 -14.461 3.982 799 H LEU 101 H LEU 101 0.001 -10.325 3.148 800 HA LEU 101 HA LEU 101 -0.744 -9.352 0.455 801 HB2 LEU 101 HB1 LEU 101 -0.176 -7.701 2.754 802 HB3 LEU 101 HB2 LEU 101 1.138 -7.526 1.549 803 HG LEU 101 HG LEU 101 -0.681 -7.121 -0.186 804 HD11 LEU 101 HD11 LEU 101 -2.631 -7.946 1.139 805 HD12 LEU 101 HD12 LEU 101 -2.850 -6.274 0.603 806 HD13 LEU 101 HD13 LEU 101 -2.402 -6.622 2.284 807 HD21 LEU 101 HD21 LEU 101 -0.368 -5.080 2.033 808 HD22 LEU 101 HD22 LEU 101 -0.902 -4.761 0.369 809 HD23 LEU 101 HD23 LEU 101 0.744 -5.341 0.668 810 H ASP 102 H ASP 102 0.654 -9.683 -1.022 811 HA ASP 102 HA ASP 102 3.430 -10.704 -0.602 812 HB2 ASP 102 HB1 ASP 102 1.575 -10.284 -2.938 813 HB3 ASP 102 HB2 ASP 102 3.282 -10.475 -3.239 814 H LEU 103 H LEU 103 5.114 -9.296 -0.882 815 HA LEU 103 HA LEU 103 4.622 -6.552 -1.976 816 HB2 LEU 103 HB1 LEU 103 6.750 -7.697 -0.133 817 HB3 LEU 103 HB2 LEU 103 6.860 -6.099 -0.930 818 HG LEU 103 HG LEU 103 4.645 -5.554 0.250 819 HD11 LEU 103 HD11 LEU 103 5.478 -7.956 1.929 820 HD12 LEU 103 HD12 LEU 103 3.919 -7.720 1.109 821 HD13 LEU 103 HD13 LEU 103 4.345 -6.702 2.475 822 HD21 LEU 103 HD21 LEU 103 7.204 -5.982 1.862 823 HD22 LEU 103 HD22 LEU 103 5.879 -4.889 2.312 824 HD23 LEU 103 HD23 LEU 103 6.820 -4.570 0.850 825 H LEU 104 H LEU 104 5.417 -6.133 -3.960 826 HA LEU 104 HA LEU 104 7.240 -8.105 -5.266 827 HB2 LEU 104 HB1 LEU 104 5.376 -5.998 -6.405 828 HB3 LEU 104 HB2 LEU 104 6.335 -7.103 -7.368 829 HG LEU 104 HG LEU 104 3.954 -7.744 -5.583 830 HD11 LEU 104 HD11 LEU 104 3.400 -6.794 -7.787 831 HD12 LEU 104 HD12 LEU 104 2.930 -8.496 -7.712 832 HD13 LEU 104 HD13 LEU 104 4.398 -8.021 -8.590 833 HD21 LEU 104 HD21 LEU 104 5.546 -9.606 -5.373 834 HD22 LEU 104 HD22 LEU 104 5.663 -9.719 -7.147 835 HD23 LEU 104 HD23 LEU 104 4.137 -10.091 -6.316 836 H PHE 105 H PHE 105 9.300 -7.533 -5.443 837 HA PHE 105 HA PHE 105 10.084 -4.632 -5.311 838 HB2 PHE 105 HB1 PHE 105 11.360 -7.155 -4.266 839 HB3 PHE 105 HB2 PHE 105 12.216 -5.617 -4.355 840 HD1 PHE 105 HD2 PHE 105 11.349 -3.646 -2.957 841 HD2 PHE 105 HD1 PHE 105 9.901 -7.683 -2.462 842 HE1 PHE 105 HE2 PHE 105 10.631 -3.110 -0.650 843 HE2 PHE 105 HE1 PHE 105 9.191 -7.135 -0.156 844 HZ PHE 105 HZ PHE 105 9.566 -4.859 0.759 845 H ALA 106 H ALA 106 11.793 -3.915 -6.623 846 HA ALA 106 HA ALA 106 11.756 -4.878 -9.244 847 HB1 ALA 106 HB1 ALA 106 13.460 -3.181 -9.706 848 HB2 ALA 106 HB2 ALA 106 12.259 -2.545 -8.568 849 HB3 ALA 106 HB3 ALA 106 13.857 -3.079 -7.980 850 H GLY 107 H GLY 107 13.014 -6.040 -10.582 851 HA2 GLY 107 HA3 GLY 107 14.705 -7.380 -11.371 852 HA3 GLY 107 HA2 GLY 107 15.707 -6.856 -9.998 853 H GLY 108 H GLY 108 12.593 -8.639 -10.014 854 HA2 GLY 108 HA3 GLY 108 12.170 -10.875 -9.883 855 HA3 GLY 108 HA2 GLY 108 13.922 -11.176 -9.826 856 H LYS 109 H LYS 109 12.048 -9.295 -7.347 857 HA LYS 109 HA LYS 109 12.370 -11.638 -5.523 858 HB2 LYS 109 HB1 LYS 109 12.643 -8.732 -4.704 859 HB3 LYS 109 HB2 LYS 109 12.733 -10.165 -3.648 860 HG2 LYS 109 HG1 LYS 109 14.962 -9.932 -3.926 861 HG3 LYS 109 HG2 LYS 109 14.651 -10.776 -5.449 862 HD2 LYS 109 HD1 LYS 109 14.251 -8.409 -6.448 863 HD3 LYS 109 HD2 LYS 109 14.903 -7.763 -4.932 864 HE2 LYS 109 HE1 LYS 109 17.049 -8.970 -5.394 865 HE3 LYS 109 HE2 LYS 109 16.334 -9.575 -6.918 866 HZ1 LYS 109 HZ1 LYS 109 17.551 -7.667 -7.480 867 HZ2 LYS 109 HZ2 LYS 109 16.964 -6.770 -6.214 868 HZ3 LYS 109 HZ3 LYS 109 15.984 -7.156 -7.458 869 H VAL 110 H VAL 110 10.809 -12.023 -4.085 870 HA VAL 110 HA VAL 110 8.431 -10.341 -3.949 871 HB VAL 110 HB VAL 110 8.262 -13.297 -4.726 872 HG11 VAL 110 HG11 VAL 110 6.424 -12.874 -3.225 873 HG12 VAL 110 HG12 VAL 110 6.043 -11.332 -4.013 874 HG13 VAL 110 HG13 VAL 110 5.764 -12.872 -4.858 875 HG21 VAL 110 HG21 VAL 110 7.049 -12.436 -6.762 876 HG22 VAL 110 HG22 VAL 110 7.545 -10.793 -6.294 877 HG23 VAL 110 HG23 VAL 110 8.761 -12.017 -6.705 878 H LEU 111 H LEU 111 7.395 -10.506 -1.953 879 HA LEU 111 HA LEU 111 8.287 -12.612 -0.043 880 HB2 LEU 111 HB1 LEU 111 9.849 -10.760 0.174 881 HB3 LEU 111 HB2 LEU 111 8.514 -9.599 0.328 882 HG LEU 111 HG LEU 111 7.913 -10.521 2.503 883 HD11 LEU 111 HD11 LEU 111 8.485 -12.898 2.240 884 HD12 LEU 111 HD12 LEU 111 9.359 -12.227 3.617 885 HD13 LEU 111 HD13 LEU 111 10.209 -12.490 2.079 886 HD21 LEU 111 HD21 LEU 111 9.633 -8.757 2.367 887 HD22 LEU 111 HD22 LEU 111 10.905 -9.988 2.225 888 HD23 LEU 111 HD23 LEU 111 9.969 -9.856 3.725 889 H LYS 112 H LYS 112 6.520 -13.510 0.825 890 HA LYS 112 HA LYS 112 3.973 -12.017 0.904 891 HB2 LYS 112 HB1 LYS 112 4.244 -14.323 -0.072 892 HB3 LYS 112 HB2 LYS 112 4.498 -14.945 1.546 893 HG2 LYS 112 HG1 LYS 112 2.094 -13.202 1.016 894 HG3 LYS 112 HG2 LYS 112 2.088 -14.854 0.347 895 HD2 LYS 112 HD1 LYS 112 2.411 -14.201 3.296 896 HD3 LYS 112 HD2 LYS 112 0.886 -14.631 2.458 897 HE2 LYS 112 HE1 LYS 112 2.375 -16.707 1.653 898 HE3 LYS 112 HE2 LYS 112 3.262 -16.341 3.141 899 HZ1 LYS 112 HZ1 LYS 112 0.335 -16.863 2.937 900 HZ2 LYS 112 HZ2 LYS 112 1.008 -16.492 4.285 901 HZ3 LYS 112 HZ3 LYS 112 1.432 -17.933 3.562 902 H VAL 113 H VAL 113 3.221 -11.078 2.694 903 HA VAL 113 HA VAL 113 3.821 -12.197 5.359 904 HB VAL 113 HB VAL 113 3.891 -9.221 5.273 905 HG11 VAL 113 HG11 VAL 113 5.507 -9.639 7.146 906 HG12 VAL 113 HG12 VAL 113 3.999 -10.504 7.413 907 HG13 VAL 113 HG13 VAL 113 5.424 -11.372 6.822 908 HG21 VAL 113 HG21 VAL 113 5.539 -9.684 3.473 909 HG22 VAL 113 HG22 VAL 113 6.325 -9.101 4.938 910 HG23 VAL 113 HG23 VAL 113 6.383 -10.829 4.542 911 H VAL 114 H VAL 114 2.379 -10.353 6.947 912 HA VAL 114 HA VAL 114 -0.382 -10.585 5.902 913 HB VAL 114 HB VAL 114 0.458 -11.678 8.614 914 HG11 VAL 114 HG11 VAL 114 -1.784 -12.812 8.503 915 HG12 VAL 114 HG12 VAL 114 -1.924 -11.060 8.506 916 HG13 VAL 114 HG13 VAL 114 -2.117 -11.960 6.985 917 HG21 VAL 114 HG21 VAL 114 0.070 -13.969 7.651 918 HG22 VAL 114 HG22 VAL 114 0.028 -13.236 6.033 919 HG23 VAL 114 HG23 VAL 114 1.507 -13.171 7.016 920 H LEU 115 H LEU 115 -1.882 -9.293 6.985 921 HA LEU 115 HA LEU 115 -0.964 -7.185 8.869 922 HB2 LEU 115 HB1 LEU 115 -2.472 -6.774 6.253 923 HB3 LEU 115 HB2 LEU 115 -2.045 -5.498 7.391 924 HG LEU 115 HG LEU 115 -0.013 -7.140 5.800 925 HD11 LEU 115 HD11 LEU 115 -1.362 -4.500 5.177 926 HD12 LEU 115 HD12 LEU 115 -1.391 -5.993 4.235 927 HD13 LEU 115 HD13 LEU 115 0.122 -5.077 4.373 928 HD21 LEU 115 HD21 LEU 115 0.845 -5.976 7.895 929 HD22 LEU 115 HD22 LEU 115 0.365 -4.439 7.140 930 HD23 LEU 115 HD23 LEU 115 1.593 -5.455 6.375 931 HA PRO 116 HA PRO 116 -5.269 -8.017 10.233 932 HB2 PRO 116 HB1 PRO 116 -5.659 -5.931 11.934 933 HB3 PRO 116 HB2 PRO 116 -4.607 -7.319 12.349 934 HG2 PRO 116 HG1 PRO 116 -3.768 -4.641 11.187 935 HG3 PRO 116 HG2 PRO 116 -3.083 -5.483 12.622 936 HD2 PRO 116 HD1 PRO 116 -1.918 -5.683 10.173 937 HD3 PRO 116 HD2 PRO 116 -2.000 -7.091 11.272 938 H VAL 117 H VAL 117 -7.377 -7.019 9.944 939 HA VAL 117 HA VAL 117 -7.399 -4.708 8.052 940 HB VAL 117 HB VAL 117 -9.684 -6.494 8.888 941 HG11 VAL 117 HG11 VAL 117 -10.537 -4.181 8.449 942 HG12 VAL 117 HG12 VAL 117 -9.667 -4.155 6.901 943 HG13 VAL 117 HG13 VAL 117 -11.007 -5.278 7.154 944 HG21 VAL 117 HG21 VAL 117 -8.099 -7.529 7.279 945 HG22 VAL 117 HG22 VAL 117 -9.656 -7.179 6.508 946 HG23 VAL 117 HG23 VAL 117 -8.277 -6.122 6.207 947 H GLU 118 H GLU 118 -7.645 -2.737 8.770 948 HA GLU 118 HA GLU 118 -9.044 -2.163 11.326 949 HB2 GLU 118 HB1 GLU 118 -6.293 -1.823 10.736 950 HB3 GLU 118 HB2 GLU 118 -6.971 -0.202 10.742 951 HG2 GLU 118 HG1 GLU 118 -7.815 -0.519 13.005 952 HG3 GLU 118 HG2 GLU 118 -7.405 -2.255 12.945 953 H ALA 119 H ALA 119 -9.662 0.236 11.421 954 HA ALA 119 HA ALA 119 -11.332 0.529 8.964 955 HB1 ALA 119 HB1 ALA 119 -12.150 0.558 11.893 956 HB2 ALA 119 HB2 ALA 119 -13.237 0.706 10.493 957 HB3 ALA 119 HB3 ALA 119 -12.340 -0.800 10.759 958 H ARG 120 H ARG 120 -9.603 2.246 8.582 959 HA ARG 120 HA ARG 120 -10.708 4.533 7.876 960 HB2 ARG 120 HB1 ARG 120 -9.793 4.852 10.675 961 HB3 ARG 120 HB2 ARG 120 -9.421 6.148 9.496 962 HG2 ARG 120 HG1 ARG 120 -11.607 6.583 8.996 963 HG3 ARG 120 HG2 ARG 120 -12.191 4.983 9.463 964 HD2 ARG 120 HD1 ARG 120 -11.328 5.894 11.873 965 HD3 ARG 120 HD2 ARG 120 -11.759 7.422 11.125 966 HE ARG 120 HE ARG 120 -13.525 5.015 11.429 967 HH11 ARG 120 HH12 ARG 120 -13.369 8.498 11.254 968 HH12 ARG 120 HH11 ARG 120 -15.099 8.694 11.384 969 HH21 ARG 120 HH22 ARG 120 -15.705 5.304 11.554 970 HH22 ARG 120 HH21 ARG 120 -16.395 6.900 11.533 Start of MODEL 29 1 H1 GLY 1 1H GLY 1 8.385 -2.452 15.755 2 H2 GLY 1 2H GLY 1 7.725 -1.922 14.337 3 H3 GLY 1 3H GLY 1 6.892 -1.790 15.731 4 HA2 GLY 1 HA3 GLY 1 9.427 -0.374 15.148 5 HA3 GLY 1 HA2 GLY 1 7.809 0.364 15.092 6 H SER 2 H SER 2 6.994 1.189 16.960 7 HA SER 2 HA SER 2 7.476 -0.245 19.562 8 HB2 SER 2 HB1 SER 2 6.857 2.169 19.631 9 HB3 SER 2 HB2 SER 2 5.372 1.797 18.737 10 HG SER 2 HG SER 2 5.110 1.854 21.060 11 H PHE 3 H PHE 3 4.296 -0.182 19.339 12 HA PHE 3 HA PHE 3 3.890 -2.137 17.126 13 HB2 PHE 3 HB1 PHE 3 1.497 -1.671 17.515 14 HB3 PHE 3 HB2 PHE 3 2.306 -2.416 18.894 15 HD1 PHE 3 HD1 PHE 3 3.141 -0.684 20.788 16 HD2 PHE 3 HD2 PHE 3 0.093 0.141 17.835 17 HE1 PHE 3 HE1 PHE 3 2.189 1.083 22.244 18 HE2 PHE 3 HE2 PHE 3 -0.832 1.917 19.291 19 HZ PHE 3 HZ PHE 3 0.208 2.390 21.500 20 H THR 4 H THR 4 4.236 -1.287 15.176 21 HA THR 4 HA THR 4 3.218 1.298 14.299 22 HB THR 4 HB THR 4 6.244 1.100 14.170 23 HG1 THR 4 HG1 THR 4 4.661 1.966 16.296 24 HG21 THR 4 HG21 THR 4 6.000 3.544 13.990 25 HG22 THR 4 HG22 THR 4 4.239 3.391 14.233 26 HG23 THR 4 HG23 THR 4 5.003 2.726 12.771 27 H GLU 5 H GLU 5 2.315 -0.736 13.179 28 HA GLU 5 HA GLU 5 3.976 -1.495 10.831 29 HB2 GLU 5 HB1 GLU 5 2.690 -3.251 12.910 30 HB3 GLU 5 HB2 GLU 5 2.837 -3.818 11.220 31 HG2 GLU 5 HG1 GLU 5 4.663 -4.673 12.508 32 HG3 GLU 5 HG2 GLU 5 5.247 -3.543 11.281 33 H GLY 6 H GLY 6 2.067 -3.028 9.447 34 HA2 GLY 6 HA3 GLY 6 0.601 -0.664 8.483 35 HA3 GLY 6 HA2 GLY 6 0.973 -2.145 7.573 36 H TRP 7 H TRP 7 -1.407 -1.301 7.095 37 HA TRP 7 HA TRP 7 -3.191 -3.267 8.281 38 HB2 TRP 7 HB1 TRP 7 -4.911 -1.730 8.939 39 HB3 TRP 7 HB2 TRP 7 -3.448 -1.449 9.873 40 HD1 TRP 7 HD TRP 7 -5.881 0.180 7.552 41 HE1 TRP 7 HE1 TRP 7 -5.326 2.680 7.220 42 HE3 TRP 7 3HE TRP 7 -1.304 0.298 9.828 43 HZ2 TRP 7 HZ2 TRP 7 -3.110 4.444 7.747 44 HZ3 TRP 7 HZ3 TRP 7 0.025 2.372 9.873 45 HH2 TRP 7 HH TRP 7 -0.868 4.457 8.866 46 H VAL 8 H VAL 8 -4.778 -3.893 6.864 47 HA VAL 8 HA VAL 8 -4.921 -2.631 4.167 48 HB VAL 8 HB VAL 8 -6.278 -5.027 5.399 49 HG11 VAL 8 HG11 VAL 8 -7.223 -5.488 3.123 50 HG12 VAL 8 HG12 VAL 8 -7.919 -4.042 3.854 51 HG13 VAL 8 HG13 VAL 8 -6.670 -3.883 2.595 52 HG21 VAL 8 HG21 VAL 8 -4.246 -4.717 3.152 53 HG22 VAL 8 HG22 VAL 8 -3.940 -5.396 4.762 54 HG23 VAL 8 HG23 VAL 8 -4.995 -6.248 3.627 55 H ARG 9 H ARG 9 -6.767 -1.459 3.455 56 HA ARG 9 HA ARG 9 -8.141 -0.109 5.689 57 HB2 ARG 9 HB1 ARG 9 -7.047 0.902 3.426 58 HB3 ARG 9 HB2 ARG 9 -8.716 0.690 2.866 59 HG2 ARG 9 HG1 ARG 9 -8.652 2.886 3.776 60 HG3 ARG 9 HG2 ARG 9 -9.414 1.914 5.046 61 HD2 ARG 9 HD1 ARG 9 -7.065 1.646 6.050 62 HD3 ARG 9 HD2 ARG 9 -6.522 2.870 4.884 63 HE ARG 9 HE ARG 9 -7.861 4.516 6.019 64 HH11 ARG 9 HH12 ARG 9 -7.950 1.384 7.797 65 HH12 ARG 9 HH11 ARG 9 -8.489 2.220 9.210 66 HH21 ARG 9 HH22 ARG 9 -8.848 5.291 7.982 67 HH22 ARG 9 HH21 ARG 9 -8.831 4.245 9.313 68 H PHE 10 H PHE 10 -10.074 -0.598 6.353 69 HA PHE 10 HA PHE 10 -11.826 -2.552 5.575 70 HB2 PHE 10 HB1 PHE 10 -12.119 -1.301 7.603 71 HB3 PHE 10 HB2 PHE 10 -12.288 0.230 6.718 72 HD1 PHE 10 HD2 PHE 10 -14.375 0.679 5.372 73 HD2 PHE 10 HD1 PHE 10 -14.018 -2.644 8.081 74 HE1 PHE 10 HE2 PHE 10 -16.791 0.254 5.143 75 HE2 PHE 10 HE1 PHE 10 -16.477 -3.046 7.902 76 HZ PHE 10 HZ PHE 10 -17.861 -1.610 6.412 77 H SER 11 H SER 11 -13.424 -2.892 4.067 78 HA SER 11 HA SER 11 -14.633 -0.561 2.750 79 HB2 SER 11 HB1 SER 11 -12.923 -1.071 1.123 80 HB3 SER 11 HB2 SER 11 -13.316 -2.802 1.161 81 HG SER 11 HG SER 11 -14.178 -1.611 -0.646 82 HA PRO 12 HA PRO 12 -18.143 -3.314 3.202 83 HB2 PRO 12 HB1 PRO 12 -20.080 -2.003 1.841 84 HB3 PRO 12 HB2 PRO 12 -19.393 -1.349 3.360 85 HG2 PRO 12 HG1 PRO 12 -18.624 -0.630 0.516 86 HG3 PRO 12 HG2 PRO 12 -19.022 0.489 1.869 87 HD2 PRO 12 HD1 PRO 12 -16.441 -0.186 1.208 88 HD3 PRO 12 HD2 PRO 12 -16.945 0.117 2.894 89 H GLY 13 H GLY 13 -16.735 -2.503 0.118 90 HA2 GLY 13 HA3 GLY 13 -18.476 -4.434 -1.340 91 HA3 GLY 13 HA2 GLY 13 -17.976 -2.847 -1.969 92 HA PRO 14 HA PRO 14 -15.411 -6.176 -3.832 93 HB2 PRO 14 HB1 PRO 14 -15.474 -5.373 -6.428 94 HB3 PRO 14 HB2 PRO 14 -16.884 -6.119 -5.629 95 HG2 PRO 14 HG1 PRO 14 -16.317 -3.166 -6.030 96 HG3 PRO 14 HG2 PRO 14 -17.834 -4.060 -6.407 97 HD2 PRO 14 HD1 PRO 14 -17.503 -2.669 -4.079 98 HD3 PRO 14 HD2 PRO 14 -18.410 -4.207 -4.129 99 H ASN 15 H ASN 15 -14.770 -2.745 -3.898 100 HA ASN 15 HA ASN 15 -11.931 -3.168 -4.553 101 HB2 ASN 15 HB1 ASN 15 -12.079 -0.801 -5.302 102 HB3 ASN 15 HB2 ASN 15 -12.993 -1.956 -6.283 103 HD21 ASN 15 HD21 ASN 15 -13.497 0.665 -6.651 104 HD22 ASN 15 HD22 ASN 15 -15.056 1.075 -5.944 105 H ALA 16 H ALA 16 -10.393 -1.953 -3.528 106 HA ALA 16 HA ALA 16 -10.880 -0.834 -0.837 107 HB1 ALA 16 HB1 ALA 16 -9.691 -2.713 0.193 108 HB2 ALA 16 HB2 ALA 16 -11.064 -3.316 -0.760 109 HB3 ALA 16 HB3 ALA 16 -9.426 -3.457 -1.402 110 H ALA 17 H ALA 17 -8.513 -0.920 0.269 111 HA ALA 17 HA ALA 17 -6.294 -0.188 -1.501 112 HB1 ALA 17 HB1 ALA 17 -7.470 1.776 0.531 113 HB2 ALA 17 HB2 ALA 17 -5.943 1.991 -0.347 114 HB3 ALA 17 HB3 ALA 17 -7.484 1.969 -1.233 115 H ALA 18 H ALA 18 -4.228 -0.244 -0.225 116 HA ALA 18 HA ALA 18 -4.475 -1.221 2.596 117 HB1 ALA 18 HB1 ALA 18 -2.856 -2.999 2.070 118 HB2 ALA 18 HB2 ALA 18 -4.337 -3.180 1.107 119 HB3 ALA 18 HB3 ALA 18 -2.860 -2.512 0.364 120 H TYR 19 H TYR 19 -2.987 -0.512 3.998 121 HA TYR 19 HA TYR 19 -0.620 1.044 3.028 122 HB2 TYR 19 HB1 TYR 19 -2.248 1.219 5.593 123 HB3 TYR 19 HB2 TYR 19 -0.728 2.079 5.302 124 HD1 TYR 19 HD2 TYR 19 -4.301 1.800 4.243 125 HD2 TYR 19 HD1 TYR 19 -0.660 4.067 3.932 126 HE1 TYR 19 HE2 TYR 19 -5.529 3.638 3.054 127 HE2 TYR 19 HE1 TYR 19 -1.869 5.901 2.797 128 HH TYR 19 HH TYR 19 -3.895 6.609 1.925 129 H LEU 20 H LEU 20 1.429 0.270 3.763 130 HA LEU 20 HA LEU 20 1.427 -2.081 5.552 131 HB2 LEU 20 HB1 LEU 20 2.203 -3.650 3.945 132 HB3 LEU 20 HB2 LEU 20 0.694 -2.922 3.357 133 HG LEU 20 HG LEU 20 2.372 -1.331 2.032 134 HD11 LEU 20 HD11 LEU 20 4.054 -3.836 2.513 135 HD12 LEU 20 HD12 LEU 20 4.525 -2.171 2.891 136 HD13 LEU 20 HD13 LEU 20 4.362 -2.663 1.215 137 HD21 LEU 20 HD21 LEU 20 0.748 -2.786 0.971 138 HD22 LEU 20 HD22 LEU 20 1.792 -4.209 1.239 139 HD23 LEU 20 HD23 LEU 20 2.294 -2.920 0.126 140 H THR 21 H THR 21 3.408 -2.957 6.088 141 HA THR 21 HA THR 21 5.737 -1.113 5.875 142 HB THR 21 HB THR 21 4.829 -2.903 8.161 143 HG1 THR 21 HG1 THR 21 5.132 -0.103 8.292 144 HG21 THR 21 HG21 THR 21 7.261 -2.793 8.249 145 HG22 THR 21 HG22 THR 21 6.573 -1.762 9.494 146 HG23 THR 21 HG23 THR 21 7.232 -1.028 8.010 147 H LEU 22 H LEU 22 7.611 -1.942 5.482 148 HA LEU 22 HA LEU 22 8.390 -4.609 6.237 149 HB2 LEU 22 HB1 LEU 22 7.797 -5.187 3.988 150 HB3 LEU 22 HB2 LEU 22 8.579 -3.765 3.306 151 HG LEU 22 HG LEU 22 10.286 -5.750 4.816 152 HD11 LEU 22 HD11 LEU 22 10.589 -7.152 2.875 153 HD12 LEU 22 HD12 LEU 22 9.342 -6.265 1.982 154 HD13 LEU 22 HD13 LEU 22 8.900 -7.221 3.422 155 HD21 LEU 22 HD21 LEU 22 11.301 -3.689 3.722 156 HD22 LEU 22 HD22 LEU 22 10.753 -4.302 2.158 157 HD23 LEU 22 HD23 LEU 22 11.956 -5.204 3.102 158 H GLU 23 H GLU 23 10.909 -4.627 6.391 159 HA GLU 23 HA GLU 23 12.115 -2.072 5.711 160 HB2 GLU 23 HB1 GLU 23 13.535 -2.140 7.813 161 HB3 GLU 23 HB2 GLU 23 11.894 -1.424 7.822 162 HG2 GLU 23 HG1 GLU 23 11.202 -3.736 8.837 163 HG3 GLU 23 HG2 GLU 23 12.915 -3.836 9.274 164 H ASN 24 H ASN 24 13.910 -2.177 4.770 165 HA ASN 24 HA ASN 24 14.840 -4.637 3.620 166 HB2 ASN 24 HB1 ASN 24 14.609 -2.432 2.517 167 HB3 ASN 24 HB2 ASN 24 15.939 -1.795 3.494 168 HD21 ASN 24 HD21 ASN 24 16.375 -1.523 0.917 169 HD22 ASN 24 HD22 ASN 24 17.479 -2.750 0.299 170 HA PRO 25 HA PRO 25 17.937 -5.005 6.983 171 HB2 PRO 25 HB1 PRO 25 18.853 -7.557 6.433 172 HB3 PRO 25 HB2 PRO 25 17.295 -7.248 7.256 173 HG2 PRO 25 HG1 PRO 25 17.762 -7.716 4.291 174 HG3 PRO 25 HG2 PRO 25 16.583 -8.556 5.360 175 HD2 PRO 25 HD1 PRO 25 15.831 -6.462 3.806 176 HD3 PRO 25 HD2 PRO 25 15.207 -6.625 5.473 177 H GLY 26 H GLY 26 18.440 -5.336 3.532 178 HA2 GLY 26 HA3 GLY 26 19.694 -3.872 2.395 179 HA3 GLY 26 HA2 GLY 26 20.472 -3.375 3.916 180 H ASP 27 H ASP 27 21.051 -4.211 1.056 181 HA ASP 27 HA ASP 27 23.757 -5.234 1.066 182 HB2 ASP 27 HB1 ASP 27 22.719 -7.345 1.481 183 HB3 ASP 27 HB2 ASP 27 21.302 -6.950 0.485 184 H LEU 28 H LEU 28 20.641 -4.943 -0.526 185 HA LEU 28 HA LEU 28 21.763 -3.322 -2.737 186 HB2 LEU 28 HB1 LEU 28 20.323 -4.407 -4.252 187 HB3 LEU 28 HB2 LEU 28 21.108 -5.666 -3.299 188 HG LEU 28 HG LEU 28 18.254 -4.635 -2.889 189 HD11 LEU 28 HD11 LEU 28 19.211 -7.159 -4.286 190 HD12 LEU 28 HD12 LEU 28 18.520 -5.724 -5.077 191 HD13 LEU 28 HD13 LEU 28 17.515 -6.698 -3.993 192 HD21 LEU 28 HD21 LEU 28 18.986 -5.651 -0.813 193 HD22 LEU 28 HD22 LEU 28 19.637 -7.061 -1.684 194 HD23 LEU 28 HD23 LEU 28 17.887 -6.761 -1.621 195 HA PRO 29 HA PRO 29 18.203 -0.614 -1.872 196 HB2 PRO 29 HB1 PRO 29 17.919 0.717 -4.222 197 HB3 PRO 29 HB2 PRO 29 19.305 0.998 -3.123 198 HG2 PRO 29 HG1 PRO 29 19.223 -0.542 -5.690 199 HG3 PRO 29 HG2 PRO 29 20.579 0.404 -4.977 200 HD2 PRO 29 HD1 PRO 29 20.129 -2.427 -4.852 201 HD3 PRO 29 HD2 PRO 29 21.378 -1.554 -3.968 202 H LEU 30 H LEU 30 15.994 -0.698 -2.160 203 HA LEU 30 HA LEU 30 14.927 -2.846 -3.917 204 HB2 LEU 30 HB1 LEU 30 13.824 -1.496 -1.436 205 HB3 LEU 30 HB2 LEU 30 12.842 -2.550 -2.446 206 HG LEU 30 HG LEU 30 15.461 -3.391 -1.260 207 HD11 LEU 30 HD11 LEU 30 12.670 -3.818 -0.079 208 HD12 LEU 30 HD12 LEU 30 13.871 -2.658 0.511 209 HD13 LEU 30 HD13 LEU 30 14.194 -4.400 0.630 210 HD21 LEU 30 HD21 LEU 30 14.716 -5.675 -1.389 211 HD22 LEU 30 HD22 LEU 30 14.706 -4.929 -3.005 212 HD23 LEU 30 HD23 LEU 30 13.181 -5.171 -2.111 213 H ARG 31 H ARG 31 13.332 -2.543 -5.083 214 HA ARG 31 HA ARG 31 12.154 0.145 -5.571 215 HB2 ARG 31 HB1 ARG 31 13.925 -0.235 -7.294 216 HB3 ARG 31 HB2 ARG 31 12.985 -1.608 -7.904 217 HG2 ARG 31 HG1 ARG 31 11.117 -0.172 -8.460 218 HG3 ARG 31 HG2 ARG 31 11.842 1.206 -7.594 219 HD2 ARG 31 HD1 ARG 31 12.965 -0.055 -10.121 220 HD3 ARG 31 HD2 ARG 31 12.029 1.463 -10.019 221 HE ARG 31 HE ARG 31 13.956 1.981 -8.242 222 HH11 ARG 31 HH12 ARG 31 14.559 0.511 -11.404 223 HH12 ARG 31 HH11 ARG 31 16.253 0.929 -11.331 224 HH21 ARG 31 HH22 ARG 31 16.004 2.506 -8.214 225 HH22 ARG 31 HH21 ARG 31 17.070 2.091 -9.519 226 H LEU 32 H LEU 32 10.123 -0.128 -4.996 227 HA LEU 32 HA LEU 32 8.819 -2.783 -5.159 228 HB2 LEU 32 HB1 LEU 32 8.941 -1.579 -3.050 229 HB3 LEU 32 HB2 LEU 32 8.114 -0.181 -3.754 230 HG LEU 32 HG LEU 32 6.043 -1.417 -3.922 231 HD11 LEU 32 HD11 LEU 32 7.630 -3.834 -2.943 232 HD12 LEU 32 HD12 LEU 32 6.795 -3.659 -4.499 233 HD13 LEU 32 HD13 LEU 32 5.855 -3.754 -3.009 234 HD21 LEU 32 HD21 LEU 32 7.393 -1.917 -1.226 235 HD22 LEU 32 HD22 LEU 32 5.644 -1.831 -1.519 236 HD23 LEU 32 HD23 LEU 32 6.658 -0.389 -1.743 237 H VAL 33 H VAL 33 7.991 -3.171 -7.087 238 HA VAL 33 HA VAL 33 6.916 -0.938 -8.764 239 HB VAL 33 HB VAL 33 7.278 -2.449 -10.693 240 HG11 VAL 33 HG11 VAL 33 9.795 -2.157 -8.999 241 HG12 VAL 33 HG12 VAL 33 9.726 -2.397 -10.752 242 HG13 VAL 33 HG13 VAL 33 9.099 -0.903 -10.047 243 HG21 VAL 33 HG21 VAL 33 7.080 -4.671 -9.527 244 HG22 VAL 33 HG22 VAL 33 8.530 -4.526 -10.526 245 HG23 VAL 33 HG23 VAL 33 8.660 -4.370 -8.770 246 H GLY 34 H GLY 34 5.920 -3.755 -7.030 247 HA2 GLY 34 HA3 GLY 34 3.156 -3.337 -7.820 248 HA3 GLY 34 HA2 GLY 34 3.821 -4.913 -8.306 249 H ALA 35 H ALA 35 1.807 -5.204 -6.816 250 HA ALA 35 HA ALA 35 2.947 -6.404 -4.386 251 HB1 ALA 35 HB1 ALA 35 0.848 -5.784 -3.099 252 HB2 ALA 35 HB2 ALA 35 1.924 -4.441 -3.448 253 HB3 ALA 35 HB3 ALA 35 0.446 -4.656 -4.412 254 H ARG 36 H ARG 36 1.075 -7.867 -3.493 255 HA ARG 36 HA ARG 36 -0.988 -8.764 -5.253 256 HB2 ARG 36 HB1 ARG 36 1.445 -10.488 -4.995 257 HB3 ARG 36 HB2 ARG 36 -0.139 -11.265 -4.965 258 HG2 ARG 36 HG1 ARG 36 -0.280 -9.649 -7.212 259 HG3 ARG 36 HG2 ARG 36 1.416 -10.226 -7.178 260 HD2 ARG 36 HD1 ARG 36 0.254 -11.866 -8.429 261 HD3 ARG 36 HD2 ARG 36 0.436 -12.591 -6.838 262 HE ARG 36 HE ARG 36 -2.027 -11.465 -8.085 263 HH11 ARG 36 HH12 ARG 36 -0.823 -13.342 -5.285 264 HH12 ARG 36 HH11 ARG 36 -2.423 -13.362 -4.594 265 HH21 ARG 36 HH22 ARG 36 -4.026 -11.601 -7.046 266 HH22 ARG 36 HH21 ARG 36 -4.098 -12.382 -5.509 267 H THR 37 H THR 37 -1.899 -10.922 -4.015 268 HA THR 37 HA THR 37 -1.828 -11.141 -1.225 269 HB THR 37 HB THR 37 -2.628 -8.991 -0.864 270 HG1 THR 37 HG1 THR 37 -3.836 -10.035 0.370 271 HG21 THR 37 HG21 THR 37 -3.381 -8.207 -3.051 272 HG22 THR 37 HG22 THR 37 -4.736 -8.078 -1.924 273 HG23 THR 37 HG23 THR 37 -4.677 -9.425 -3.077 274 HA PRO 38 HA PRO 38 -4.637 -14.377 -2.631 275 HB2 PRO 38 HB1 PRO 38 -5.858 -15.169 -0.308 276 HB3 PRO 38 HB2 PRO 38 -4.161 -15.539 -0.777 277 HG2 PRO 38 HG1 PRO 38 -5.123 -13.390 1.092 278 HG3 PRO 38 HG2 PRO 38 -3.775 -14.560 1.333 279 HD2 PRO 38 HD1 PRO 38 -3.415 -11.989 0.424 280 HD3 PRO 38 HD2 PRO 38 -2.348 -13.298 -0.102 281 H VAL 39 H VAL 39 -5.659 -11.413 -1.307 282 HA VAL 39 HA VAL 39 -8.491 -11.920 -2.190 283 HB VAL 39 HB VAL 39 -9.318 -10.511 -0.417 284 HG11 VAL 39 HG11 VAL 39 -8.817 -12.023 1.471 285 HG12 VAL 39 HG12 VAL 39 -9.116 -12.909 -0.046 286 HG13 VAL 39 HG13 VAL 39 -7.470 -12.720 0.589 287 HG21 VAL 39 HG21 VAL 39 -6.495 -10.445 0.713 288 HG22 VAL 39 HG22 VAL 39 -7.249 -9.041 -0.068 289 HG23 VAL 39 HG23 VAL 39 -7.945 -9.706 1.419 290 H ALA 40 H ALA 40 -6.768 -10.974 -4.097 291 HA ALA 40 HA ALA 40 -8.550 -8.906 -5.021 292 HB1 ALA 40 HB1 ALA 40 -5.604 -8.106 -4.811 293 HB2 ALA 40 HB2 ALA 40 -6.926 -7.152 -5.496 294 HB3 ALA 40 HB3 ALA 40 -6.895 -7.477 -3.760 295 H GLU 41 H GLU 41 -8.555 -8.753 -7.220 296 HA GLU 41 HA GLU 41 -7.096 -10.763 -8.835 297 HB2 GLU 41 HB1 GLU 41 -9.660 -10.097 -8.875 298 HB3 GLU 41 HB2 GLU 41 -9.105 -8.764 -9.904 299 HG2 GLU 41 HG1 GLU 41 -9.578 -10.331 -11.523 300 HG3 GLU 41 HG2 GLU 41 -7.899 -10.784 -11.226 301 H ARG 42 H ARG 42 -7.425 -7.239 -8.448 302 HA ARG 42 HA ARG 42 -5.125 -6.674 -10.220 303 HB2 ARG 42 HB1 ARG 42 -7.850 -5.380 -10.046 304 HB3 ARG 42 HB2 ARG 42 -6.422 -4.397 -10.427 305 HG2 ARG 42 HG1 ARG 42 -5.997 -6.196 -12.287 306 HG3 ARG 42 HG2 ARG 42 -7.704 -6.624 -12.030 307 HD2 ARG 42 HD1 ARG 42 -7.634 -5.001 -13.825 308 HD3 ARG 42 HD2 ARG 42 -8.260 -4.159 -12.394 309 HE ARG 42 HE ARG 42 -6.011 -3.190 -12.058 310 HH11 ARG 42 HH12 ARG 42 -6.670 -4.140 -15.380 311 HH12 ARG 42 HH11 ARG 42 -5.065 -3.720 -15.915 312 HH21 ARG 42 HH22 ARG 42 -3.986 -2.998 -12.680 313 HH22 ARG 42 HH21 ARG 42 -3.545 -2.891 -14.374 314 H VAL 43 H VAL 43 -3.987 -4.835 -9.558 315 HA VAL 43 HA VAL 43 -4.226 -3.745 -6.951 316 HB VAL 43 HB VAL 43 -3.540 -5.984 -6.387 317 HG11 VAL 43 HG11 VAL 43 -1.399 -6.918 -6.700 318 HG12 VAL 43 HG12 VAL 43 -1.957 -6.441 -8.303 319 HG13 VAL 43 HG13 VAL 43 -0.745 -5.450 -7.454 320 HG21 VAL 43 HG21 VAL 43 -1.872 -5.359 -4.701 321 HG22 VAL 43 HG22 VAL 43 -1.492 -3.877 -5.612 322 HG23 VAL 43 HG23 VAL 43 -3.097 -4.093 -4.883 323 H GLU 44 H GLU 44 -3.442 -1.849 -7.055 324 HA GLU 44 HA GLU 44 -1.372 -1.140 -9.115 325 HB2 GLU 44 HB1 GLU 44 -4.237 -0.191 -8.861 326 HB3 GLU 44 HB2 GLU 44 -2.964 0.806 -9.642 327 HG2 GLU 44 HG1 GLU 44 -3.844 -0.216 -11.455 328 HG3 GLU 44 HG2 GLU 44 -2.518 -1.311 -11.089 329 H LEU 45 H LEU 45 0.025 0.431 -8.559 330 HA LEU 45 HA LEU 45 -0.035 1.288 -5.775 331 HB2 LEU 45 HB1 LEU 45 1.998 0.438 -6.922 332 HB3 LEU 45 HB2 LEU 45 1.948 1.853 -8.001 333 HG LEU 45 HG LEU 45 2.114 3.273 -5.830 334 HD11 LEU 45 HD11 LEU 45 1.603 1.435 -4.215 335 HD12 LEU 45 HD12 LEU 45 3.145 2.253 -3.901 336 HD13 LEU 45 HD13 LEU 45 3.140 0.664 -4.682 337 HD21 LEU 45 HD21 LEU 45 3.943 2.919 -7.482 338 HD22 LEU 45 HD22 LEU 45 4.442 1.474 -6.565 339 HD23 LEU 45 HD23 LEU 45 4.528 3.096 -5.824 340 H HIS 46 H HIS 46 -0.777 3.113 -4.978 341 HA HIS 46 HA HIS 46 -0.985 5.568 -6.673 342 HB2 HIS 46 HB1 HIS 46 -2.747 4.563 -4.413 343 HB3 HIS 46 HB2 HIS 46 -2.868 6.179 -5.131 344 HD2 HIS 46 HD2 HIS 46 -2.563 4.024 -8.079 345 HE1 HIS 46 HE1 HIS 46 -6.683 3.788 -7.037 346 HE2 HIS 46 HE2 HIS 46 -4.946 3.311 -8.900 347 H GLU 47 H GLU 47 -0.846 7.472 -5.731 348 HA GLU 47 HA GLU 47 0.663 7.725 -3.202 349 HB2 GLU 47 HB1 GLU 47 1.311 9.954 -4.056 350 HB3 GLU 47 HB2 GLU 47 1.942 8.488 -4.926 351 HG2 GLU 47 HG1 GLU 47 1.653 10.189 -6.488 352 HG3 GLU 47 HG2 GLU 47 0.474 8.921 -6.793 353 H THR 48 H THR 48 0.030 10.088 -2.211 354 HA THR 48 HA THR 48 -2.825 10.813 -2.645 355 HB THR 48 HB THR 48 -1.644 9.999 0.047 356 HG1 THR 48 HG1 THR 48 -2.765 8.690 -1.878 357 HG21 THR 48 HG21 THR 48 -4.433 11.038 -0.667 358 HG22 THR 48 HG22 THR 48 -3.245 11.848 0.385 359 HG23 THR 48 HG23 THR 48 -3.982 10.326 0.901 360 H PHE 49 H PHE 49 -3.161 13.037 -2.192 361 HA PHE 49 HA PHE 49 -0.829 14.591 -1.228 362 HB2 PHE 49 HB1 PHE 49 -0.660 15.872 -3.258 363 HB3 PHE 49 HB2 PHE 49 -0.424 14.165 -3.600 364 HD1 PHE 49 HD2 PHE 49 -2.881 16.966 -3.782 365 HD2 PHE 49 HD1 PHE 49 -1.815 13.083 -5.295 366 HE1 PHE 49 HE2 PHE 49 -4.611 17.202 -5.478 367 HE2 PHE 49 HE1 PHE 49 -3.535 13.315 -7.055 368 HZ PHE 49 HZ PHE 49 -4.934 15.359 -7.193 369 H MET 50 H MET 50 -1.111 16.886 -1.363 370 HA MET 50 HA MET 50 -3.910 17.895 -1.027 371 HB2 MET 50 HB1 MET 50 -1.364 18.782 0.359 372 HB3 MET 50 HB2 MET 50 -2.760 19.875 0.149 373 HG2 MET 50 HG1 MET 50 -4.174 18.068 1.232 374 HG3 MET 50 HG2 MET 50 -2.662 17.274 1.692 375 HE1 MET 50 HE1 MET 50 -4.680 20.925 3.535 376 HE2 MET 50 HE2 MET 50 -4.181 21.091 1.836 377 HE3 MET 50 HE3 MET 50 -5.306 19.794 2.315 378 H ARG 51 H ARG 51 -4.484 19.629 -2.170 379 HA ARG 51 HA ARG 51 -2.533 21.143 -3.828 380 HB2 ARG 51 HB1 ARG 51 -5.014 19.735 -4.787 381 HB3 ARG 51 HB2 ARG 51 -4.502 21.271 -5.545 382 HG2 ARG 51 HG1 ARG 51 -2.288 20.312 -6.019 383 HG3 ARG 51 HG2 ARG 51 -2.803 18.767 -5.329 384 HD2 ARG 51 HD1 ARG 51 -4.721 18.798 -7.032 385 HD3 ARG 51 HD2 ARG 51 -3.918 20.198 -7.767 386 HE ARG 51 HE ARG 51 -2.377 17.687 -7.351 387 HH11 ARG 51 HH12 ARG 51 -3.973 19.774 -9.699 388 HH12 ARG 51 HH11 ARG 51 -3.114 19.095 -11.051 389 HH21 ARG 51 HH22 ARG 51 -1.300 16.836 -9.103 390 HH22 ARG 51 HH21 ARG 51 -1.611 17.426 -10.710 391 H GLU 52 H GLU 52 -3.145 23.438 -4.028 392 HA GLU 52 HA GLU 52 -5.719 24.263 -2.889 393 HB2 GLU 52 HB1 GLU 52 -3.504 25.447 -2.443 394 HB3 GLU 52 HB2 GLU 52 -3.438 25.810 -4.184 395 HG2 GLU 52 HG1 GLU 52 -4.322 27.732 -3.234 396 HG3 GLU 52 HG2 GLU 52 -5.745 26.921 -3.856 397 H VAL 53 H VAL 53 -7.381 24.782 -4.300 398 HA VAL 53 HA VAL 53 -6.793 25.223 -7.185 399 HB VAL 53 HB VAL 53 -9.042 23.402 -6.172 400 HG11 VAL 53 HG11 VAL 53 -8.249 24.233 -9.006 401 HG12 VAL 53 HG12 VAL 53 -9.498 23.039 -8.594 402 HG13 VAL 53 HG13 VAL 53 -9.720 24.730 -8.144 403 HG21 VAL 53 HG21 VAL 53 -6.943 22.139 -6.123 404 HG22 VAL 53 HG22 VAL 53 -7.947 21.590 -7.464 405 HG23 VAL 53 HG23 VAL 53 -6.562 22.656 -7.782 406 H GLU 54 H GLU 54 -7.666 27.184 -7.635 407 HA GLU 54 HA GLU 54 -9.013 29.032 -7.607 408 HB2 GLU 54 HB1 GLU 54 -10.663 27.107 -7.926 409 HB3 GLU 54 HB2 GLU 54 -11.097 27.338 -6.226 410 HG2 GLU 54 HG1 GLU 54 -11.541 29.845 -7.068 411 HG3 GLU 54 HG2 GLU 54 -11.724 29.016 -8.633 412 H GLY 55 H GLY 55 -7.305 28.409 -5.142 413 HA2 GLY 55 HA3 GLY 55 -6.835 29.539 -3.158 414 HA3 GLY 55 HA2 GLY 55 -8.316 30.500 -3.366 415 H LYS 56 H LYS 56 -8.602 27.061 -3.540 416 HA LYS 56 HA LYS 56 -9.594 26.782 -0.767 417 HB2 LYS 56 HB1 LYS 56 -10.997 25.959 -3.345 418 HB3 LYS 56 HB2 LYS 56 -11.501 25.430 -1.726 419 HG2 LYS 56 HG1 LYS 56 -12.590 27.355 -1.317 420 HG3 LYS 56 HG2 LYS 56 -11.285 28.374 -1.953 421 HD2 LYS 56 HD1 LYS 56 -13.195 28.793 -3.287 422 HD3 LYS 56 HD2 LYS 56 -12.060 27.856 -4.267 423 HE2 LYS 56 HE1 LYS 56 -13.399 25.784 -3.687 424 HE3 LYS 56 HE2 LYS 56 -14.539 26.832 -2.809 425 HZ1 LYS 56 HZ1 LYS 56 -15.437 26.576 -5.004 426 HZ2 LYS 56 HZ2 LYS 56 -13.982 26.788 -5.718 427 HZ3 LYS 56 HZ3 LYS 56 -14.654 28.049 -5.105 428 H LYS 57 H LYS 57 -8.613 25.160 0.142 429 HA LYS 57 HA LYS 57 -6.902 23.417 -1.263 430 HB2 LYS 57 HB1 LYS 57 -6.420 22.424 0.982 431 HB3 LYS 57 HB2 LYS 57 -6.099 24.155 0.699 432 HG2 LYS 57 HG1 LYS 57 -8.526 24.368 1.844 433 HG3 LYS 57 HG2 LYS 57 -8.042 22.823 2.567 434 HD2 LYS 57 HD1 LYS 57 -5.972 23.840 3.429 435 HD3 LYS 57 HD2 LYS 57 -6.342 25.362 2.562 436 HE2 LYS 57 HE1 LYS 57 -8.470 25.496 3.934 437 HE3 LYS 57 HE2 LYS 57 -7.857 24.150 4.907 438 HZ1 LYS 57 HZ1 LYS 57 -5.921 25.556 5.418 439 HZ2 LYS 57 HZ2 LYS 57 -7.311 26.311 5.873 440 HZ3 LYS 57 HZ3 LYS 57 -6.530 26.778 4.506 441 H VAL 58 H VAL 58 -7.060 21.579 -2.039 442 HA VAL 58 HA VAL 58 -9.414 19.765 -1.647 443 HB VAL 58 HB VAL 58 -7.812 20.454 -4.157 444 HG11 VAL 58 HG11 VAL 58 -9.386 18.938 -5.374 445 HG12 VAL 58 HG12 VAL 58 -8.312 18.077 -4.278 446 HG13 VAL 58 HG13 VAL 58 -10.006 18.365 -3.811 447 HG21 VAL 58 HG21 VAL 58 -9.997 21.227 -5.049 448 HG22 VAL 58 HG22 VAL 58 -10.764 20.867 -3.486 449 HG23 VAL 58 HG23 VAL 58 -9.532 22.140 -3.613 450 H MET 59 H MET 59 -8.930 17.669 -1.246 451 HA MET 59 HA MET 59 -6.075 16.744 -1.348 452 HB2 MET 59 HB1 MET 59 -8.452 15.830 0.288 453 HB3 MET 59 HB2 MET 59 -7.012 14.805 0.046 454 HG2 MET 59 HG1 MET 59 -5.564 16.464 1.005 455 HG3 MET 59 HG2 MET 59 -6.868 17.654 1.091 456 HE1 MET 59 HE1 MET 59 -5.695 17.790 3.809 457 HE2 MET 59 HE2 MET 59 -5.577 16.282 4.739 458 HE3 MET 59 HE3 MET 59 -4.684 16.449 3.219 459 H GLY 60 H GLY 60 -5.583 14.799 -2.352 460 HA2 GLY 60 HA3 GLY 60 -7.566 13.551 -4.107 461 HA3 GLY 60 HA2 GLY 60 -6.316 14.518 -4.923 462 H MET 61 H MET 61 -6.295 12.172 -5.787 463 HA MET 61 HA MET 61 -3.938 10.733 -4.870 464 HB2 MET 61 HB1 MET 61 -5.575 9.797 -3.322 465 HB3 MET 61 HB2 MET 61 -6.834 9.811 -4.583 466 HG2 MET 61 HG1 MET 61 -5.285 8.071 -5.746 467 HG3 MET 61 HG2 MET 61 -4.590 7.886 -4.147 468 HE1 MET 61 HE1 MET 61 -8.110 6.900 -2.280 469 HE2 MET 61 HE2 MET 61 -6.639 7.896 -2.094 470 HE3 MET 61 HE3 MET 61 -8.054 8.551 -2.956 471 H ARG 62 H ARG 62 -3.083 9.502 -6.190 472 HA ARG 62 HA ARG 62 -4.094 9.308 -8.953 473 HB2 ARG 62 HB1 ARG 62 -2.477 11.345 -7.723 474 HB3 ARG 62 HB2 ARG 62 -1.388 10.409 -8.729 475 HG2 ARG 62 HG1 ARG 62 -3.605 10.803 -10.371 476 HG3 ARG 62 HG2 ARG 62 -3.567 12.305 -9.413 477 HD2 ARG 62 HD1 ARG 62 -2.320 12.454 -11.588 478 HD3 ARG 62 HD2 ARG 62 -1.331 12.800 -10.140 479 HE ARG 62 HE ARG 62 -0.584 10.373 -10.366 480 HH11 ARG 62 HH12 ARG 62 -1.097 12.439 -13.192 481 HH12 ARG 62 HH11 ARG 62 0.050 11.539 -14.143 482 HH21 ARG 62 HH22 ARG 62 0.719 9.196 -11.647 483 HH22 ARG 62 HH21 ARG 62 1.117 9.744 -13.255 484 HA PRO 63 HA PRO 63 -1.446 5.713 -8.718 485 HB2 PRO 63 HB1 PRO 63 -1.246 4.895 -11.261 486 HB3 PRO 63 HB2 PRO 63 -2.828 4.930 -10.430 487 HG2 PRO 63 HG1 PRO 63 -1.656 7.040 -12.274 488 HG3 PRO 63 HG2 PRO 63 -3.290 6.288 -12.357 489 HD2 PRO 63 HD1 PRO 63 -2.810 8.707 -11.113 490 HD3 PRO 63 HD2 PRO 63 -4.060 7.565 -10.537 491 H VAL 64 H VAL 64 0.649 4.911 -9.145 492 HA VAL 64 HA VAL 64 2.623 6.664 -10.494 493 HB VAL 64 HB VAL 64 4.112 6.162 -8.336 494 HG11 VAL 64 HG11 VAL 64 2.125 8.459 -8.466 495 HG12 VAL 64 HG12 VAL 64 3.625 8.418 -7.512 496 HG13 VAL 64 HG13 VAL 64 3.701 8.381 -9.282 497 HG21 VAL 64 HG21 VAL 64 2.280 4.958 -7.141 498 HG22 VAL 64 HG22 VAL 64 2.986 6.305 -6.231 499 HG23 VAL 64 HG23 VAL 64 1.403 6.493 -7.009 500 HA PRO 65 HA PRO 65 4.102 2.886 -11.885 501 HB2 PRO 65 HB1 PRO 65 6.624 3.347 -12.674 502 HB3 PRO 65 HB2 PRO 65 5.253 4.301 -13.317 503 HG2 PRO 65 HG1 PRO 65 7.147 5.057 -11.073 504 HG3 PRO 65 HG2 PRO 65 6.665 6.048 -12.498 505 HD2 PRO 65 HD1 PRO 65 5.448 6.269 -10.037 506 HD3 PRO 65 HD2 PRO 65 4.570 6.514 -11.569 507 H PHE 66 H PHE 66 6.155 4.034 -9.227 508 HA PHE 66 HA PHE 66 6.326 1.503 -7.939 509 HB2 PHE 66 HB1 PHE 66 8.707 1.061 -8.172 510 HB3 PHE 66 HB2 PHE 66 7.891 0.947 -9.724 511 HD1 PHE 66 HD1 PHE 66 10.185 2.949 -7.640 512 HD2 PHE 66 HD2 PHE 66 8.393 2.530 -11.518 513 HE1 PHE 66 HE1 PHE 66 11.702 4.678 -8.472 514 HE2 PHE 66 HE2 PHE 66 9.990 4.234 -12.423 515 HZ PHE 66 HZ PHE 66 11.641 5.318 -10.904 516 H LEU 67 H LEU 67 7.812 1.607 -6.076 517 HA LEU 67 HA LEU 67 8.597 4.373 -5.217 518 HB2 LEU 67 HB1 LEU 67 8.138 1.979 -3.397 519 HB3 LEU 67 HB2 LEU 67 8.513 3.635 -2.898 520 HG LEU 67 HG LEU 67 5.924 2.603 -4.120 521 HD11 LEU 67 HD11 LEU 67 6.256 2.020 -1.775 522 HD12 LEU 67 HD12 LEU 67 4.997 3.259 -1.928 523 HD13 LEU 67 HD13 LEU 67 6.637 3.715 -1.384 524 HD21 LEU 67 HD21 LEU 67 5.009 4.858 -3.772 525 HD22 LEU 67 HD22 LEU 67 6.337 4.930 -4.922 526 HD23 LEU 67 HD23 LEU 67 6.600 5.456 -3.246 527 H GLU 68 H GLU 68 10.602 4.518 -4.070 528 HA GLU 68 HA GLU 68 12.616 2.404 -4.726 529 HB2 GLU 68 HB1 GLU 68 12.870 4.515 -6.090 530 HB3 GLU 68 HB2 GLU 68 13.030 5.422 -4.565 531 HG2 GLU 68 HG1 GLU 68 15.242 5.114 -5.176 532 HG3 GLU 68 HG2 GLU 68 15.012 3.783 -4.051 533 H VAL 69 H VAL 69 13.815 1.741 -2.938 534 HA VAL 69 HA VAL 69 14.087 3.623 -0.730 535 HB VAL 69 HB VAL 69 13.054 0.796 -0.128 536 HG11 VAL 69 HG11 VAL 69 13.383 3.212 1.722 537 HG12 VAL 69 HG12 VAL 69 12.675 1.667 2.192 538 HG13 VAL 69 HG13 VAL 69 14.375 1.734 1.746 539 HG21 VAL 69 HG21 VAL 69 10.920 1.765 0.613 540 HG22 VAL 69 HG22 VAL 69 11.424 3.363 0.068 541 HG23 VAL 69 HG23 VAL 69 11.165 2.032 -1.098 542 HA PRO 70 HA PRO 70 18.136 1.798 -0.840 543 HB2 PRO 70 HB1 PRO 70 19.343 3.028 1.290 544 HB3 PRO 70 HB2 PRO 70 18.896 3.888 -0.214 545 HG2 PRO 70 HG1 PRO 70 17.299 3.712 2.360 546 HG3 PRO 70 HG2 PRO 70 17.747 5.194 1.437 547 HD2 PRO 70 HD1 PRO 70 15.329 4.022 1.102 548 HD3 PRO 70 HD2 PRO 70 16.228 4.657 -0.307 549 HA PRO 71 HA PRO 71 18.674 -1.552 2.202 550 HB2 PRO 71 HB1 PRO 71 21.361 -1.460 2.743 551 HB3 PRO 71 HB2 PRO 71 20.645 -2.171 1.262 552 HG2 PRO 71 HG1 PRO 71 21.859 0.562 1.602 553 HG3 PRO 71 HG2 PRO 71 22.071 -0.624 0.252 554 HD2 PRO 71 HD1 PRO 71 20.345 1.486 0.073 555 HD3 PRO 71 HD2 PRO 71 19.982 -0.107 -0.652 556 H LYS 72 H LYS 72 18.663 -1.847 4.454 557 HA LYS 72 HA LYS 72 18.511 -1.358 6.617 558 HB2 LYS 72 HB1 LYS 72 20.058 1.199 6.300 559 HB3 LYS 72 HB2 LYS 72 19.943 0.133 7.707 560 HG2 LYS 72 HG1 LYS 72 21.501 -0.340 5.143 561 HG3 LYS 72 HG2 LYS 72 22.157 0.040 6.746 562 HD2 LYS 72 HD1 LYS 72 21.514 -2.152 7.583 563 HD3 LYS 72 HD2 LYS 72 20.615 -2.495 6.081 564 HE2 LYS 72 HE1 LYS 72 22.754 -2.290 4.800 565 HE3 LYS 72 HE2 LYS 72 23.629 -2.074 6.322 566 HZ1 LYS 72 HZ1 LYS 72 22.906 -4.322 6.942 567 HZ2 LYS 72 HZ2 LYS 72 23.634 -4.397 5.451 568 HZ3 LYS 72 HZ3 LYS 72 22.026 -4.471 5.583 569 H GLY 73 H GLY 73 17.243 0.659 4.284 570 HA2 GLY 73 HA3 GLY 73 15.761 2.457 6.075 571 HA3 GLY 73 HA2 GLY 73 15.677 2.400 4.299 572 H ARG 74 H ARG 74 13.514 2.518 6.423 573 HA ARG 74 HA ARG 74 12.085 0.050 6.227 574 HB2 ARG 74 HB1 ARG 74 12.122 1.543 8.189 575 HB3 ARG 74 HB2 ARG 74 11.296 2.800 7.251 576 HG2 ARG 74 HG1 ARG 74 9.344 1.413 6.994 577 HG3 ARG 74 HG2 ARG 74 10.208 0.016 7.660 578 HD2 ARG 74 HD1 ARG 74 10.322 2.156 9.572 579 HD3 ARG 74 HD2 ARG 74 8.648 2.001 9.024 580 HE ARG 74 HE ARG 74 10.256 -0.325 10.118 581 HH11 ARG 74 HH12 ARG 74 7.066 1.255 9.886 582 HH12 ARG 74 HH11 ARG 74 6.494 0.394 11.261 583 HH21 ARG 74 HH22 ARG 74 9.276 -1.651 11.436 584 HH22 ARG 74 HH21 ARG 74 7.613 -1.434 11.976 585 H VAL 75 H VAL 75 10.482 -0.467 4.969 586 HA VAL 75 HA VAL 75 10.180 1.031 2.405 587 HB VAL 75 HB VAL 75 9.992 -1.967 2.897 588 HG11 VAL 75 HG11 VAL 75 10.167 -2.194 0.469 589 HG12 VAL 75 HG12 VAL 75 8.762 -1.203 0.863 590 HG13 VAL 75 HG13 VAL 75 10.248 -0.435 0.267 591 HG21 VAL 75 HG21 VAL 75 12.357 -0.506 1.690 592 HG22 VAL 75 HG22 VAL 75 12.314 -1.255 3.303 593 HG23 VAL 75 HG23 VAL 75 12.147 -2.251 1.868 594 H GLU 76 H GLU 76 8.379 2.192 3.298 595 HA GLU 76 HA GLU 76 6.000 0.557 3.986 596 HB2 GLU 76 HB1 GLU 76 7.390 1.118 5.865 597 HB3 GLU 76 HB2 GLU 76 7.394 2.834 5.418 598 HG2 GLU 76 HG1 GLU 76 4.971 2.951 5.815 599 HG3 GLU 76 HG2 GLU 76 4.944 1.217 6.187 600 H LEU 77 H LEU 77 4.205 1.066 3.114 601 HA LEU 77 HA LEU 77 3.813 3.552 1.564 602 HB2 LEU 77 HB1 LEU 77 2.268 0.970 1.850 603 HB3 LEU 77 HB2 LEU 77 1.561 2.452 1.130 604 HG LEU 77 HG LEU 77 3.636 2.472 -0.394 605 HD11 LEU 77 HD11 LEU 77 4.540 0.263 -0.989 606 HD12 LEU 77 HD12 LEU 77 3.682 -0.479 0.364 607 HD13 LEU 77 HD13 LEU 77 4.995 0.685 0.662 608 HD21 LEU 77 HD21 LEU 77 1.522 2.133 -1.333 609 HD22 LEU 77 HD22 LEU 77 1.351 0.507 -0.623 610 HD23 LEU 77 HD23 LEU 77 2.499 0.810 -1.948 611 H LYS 78 H LYS 78 4.012 4.915 3.173 612 HA LYS 78 HA LYS 78 2.696 4.854 5.634 613 HB2 LYS 78 HB1 LYS 78 3.541 7.205 5.830 614 HB3 LYS 78 HB2 LYS 78 4.740 5.990 5.356 615 HG2 LYS 78 HG1 LYS 78 4.270 6.808 2.915 616 HG3 LYS 78 HG2 LYS 78 3.442 8.193 3.667 617 HD2 LYS 78 HD1 LYS 78 5.552 9.059 3.436 618 HD3 LYS 78 HD2 LYS 78 5.710 8.396 5.053 619 HE2 LYS 78 HE1 LYS 78 6.657 7.120 2.438 620 HE3 LYS 78 HE2 LYS 78 7.684 7.949 3.634 621 HZ1 LYS 78 HZ1 LYS 78 6.968 6.110 5.199 622 HZ2 LYS 78 HZ2 LYS 78 7.908 5.633 3.942 623 HZ3 LYS 78 HZ3 LYS 78 6.322 5.328 3.897 624 HA PRO 79 HA PRO 79 -1.383 6.477 5.160 625 HB2 PRO 79 HB1 PRO 79 -1.664 7.999 7.436 626 HB3 PRO 79 HB2 PRO 79 -1.736 6.214 7.411 627 HG2 PRO 79 HG1 PRO 79 0.661 7.968 8.020 628 HG3 PRO 79 HG2 PRO 79 0.045 6.582 8.983 629 HD2 PRO 79 HD1 PRO 79 2.087 6.236 7.255 630 HD3 PRO 79 HD2 PRO 79 0.782 5.016 7.320 631 H GLY 80 H GLY 80 -2.378 8.271 4.351 632 HA2 GLY 80 HA3 GLY 80 -2.692 10.404 3.612 633 HA3 GLY 80 HA2 GLY 80 -1.337 10.922 4.642 634 H GLY 81 H GLY 81 0.200 8.692 2.728 635 HA2 GLY 81 HA3 GLY 81 0.371 10.548 0.397 636 HA3 GLY 81 HA2 GLY 81 1.841 10.054 1.267 637 H TYR 82 H TYR 82 0.749 7.187 1.367 638 HA TYR 82 HA TYR 82 0.723 6.417 -1.485 639 HB2 TYR 82 HB1 TYR 82 2.927 5.581 0.421 640 HB3 TYR 82 HB2 TYR 82 2.590 4.800 -1.139 641 HD1 TYR 82 HD2 TYR 82 2.819 6.104 -3.273 642 HD2 TYR 82 HD1 TYR 82 4.101 7.677 0.527 643 HE1 TYR 82 HE2 TYR 82 4.146 7.816 -4.442 644 HE2 TYR 82 HE1 TYR 82 5.334 9.486 -0.641 645 HH TYR 82 HH TYR 82 5.812 10.463 -2.699 646 H HIS 83 H HIS 83 -0.127 4.488 -1.939 647 HA HIS 83 HA HIS 83 -0.468 2.332 -0.050 648 HB2 HIS 83 HB1 HIS 83 -2.914 2.298 0.028 649 HB3 HIS 83 HB2 HIS 83 -2.230 3.688 0.871 650 HD1 HIS 83 HD1 HIS 83 -2.413 6.103 -0.637 651 HD2 HIS 83 HD2 HIS 83 -4.497 2.722 -2.014 652 HE1 HIS 83 HE1 HIS 83 -3.930 6.904 -2.493 653 H PHE 84 H PHE 84 -1.348 0.382 -1.097 654 HA PHE 84 HA PHE 84 -1.449 0.526 -4.077 655 HB2 PHE 84 HB1 PHE 84 -1.498 -1.749 -2.078 656 HB3 PHE 84 HB2 PHE 84 -1.935 -1.961 -3.789 657 HD1 PHE 84 HD1 PHE 84 -0.249 -1.529 -5.587 658 HD2 PHE 84 HD2 PHE 84 0.830 -1.602 -1.415 659 HE1 PHE 84 HE1 PHE 84 2.118 -1.910 -6.204 660 HE2 PHE 84 HE2 PHE 84 3.205 -1.942 -2.039 661 HZ PHE 84 HZ PHE 84 3.852 -2.136 -4.423 662 H MET 85 H MET 85 -3.429 0.514 -5.098 663 HA MET 85 HA MET 85 -5.994 0.424 -3.595 664 HB2 MET 85 HB1 MET 85 -5.257 1.894 -5.761 665 HB3 MET 85 HB2 MET 85 -6.017 0.492 -6.543 666 HG2 MET 85 HG1 MET 85 -7.745 2.093 -6.201 667 HG3 MET 85 HG2 MET 85 -7.999 0.821 -4.999 668 HE1 MET 85 HE1 MET 85 -9.690 3.452 -4.393 669 HE2 MET 85 HE2 MET 85 -9.502 1.955 -3.442 670 HE3 MET 85 HE3 MET 85 -9.284 3.526 -2.662 671 H LEU 86 H LEU 86 -7.215 -1.485 -3.628 672 HA LEU 86 HA LEU 86 -6.191 -3.825 -5.219 673 HB2 LEU 86 HB1 LEU 86 -7.331 -3.579 -2.419 674 HB3 LEU 86 HB2 LEU 86 -7.358 -5.117 -3.324 675 HG LEU 86 HG LEU 86 -4.913 -5.177 -3.346 676 HD11 LEU 86 HD11 LEU 86 -5.057 -2.616 -1.682 677 HD12 LEU 86 HD12 LEU 86 -4.217 -2.840 -3.235 678 HD13 LEU 86 HD13 LEU 86 -3.623 -3.659 -1.803 679 HD21 LEU 86 HD21 LEU 86 -6.251 -6.181 -1.496 680 HD22 LEU 86 HD22 LEU 86 -6.117 -4.661 -0.589 681 HD23 LEU 86 HD23 LEU 86 -4.664 -5.631 -0.927 682 H LEU 87 H LEU 87 -7.668 -4.838 -6.505 683 HA LEU 87 HA LEU 87 -10.581 -4.228 -6.155 684 HB2 LEU 87 HB1 LEU 87 -8.909 -4.064 -8.680 685 HB3 LEU 87 HB2 LEU 87 -10.680 -4.279 -8.697 686 HG LEU 87 HG LEU 87 -10.688 -2.070 -7.273 687 HD11 LEU 87 HD11 LEU 87 -8.891 -0.475 -7.993 688 HD12 LEU 87 HD12 LEU 87 -7.991 -1.828 -8.707 689 HD13 LEU 87 HD13 LEU 87 -8.252 -1.741 -6.957 690 HD21 LEU 87 HD21 LEU 87 -10.025 -2.096 -10.251 691 HD22 LEU 87 HD22 LEU 87 -10.825 -0.774 -9.375 692 HD23 LEU 87 HD23 LEU 87 -11.637 -2.336 -9.538 693 H GLY 88 H GLY 88 -12.010 -5.863 -6.720 694 HA2 GLY 88 HA3 GLY 88 -12.757 -7.923 -7.451 695 HA3 GLY 88 HA2 GLY 88 -11.156 -8.227 -8.161 696 H LEU 89 H LEU 89 -11.862 -7.545 -4.760 697 HA LEU 89 HA LEU 89 -10.330 -9.630 -3.702 698 HB2 LEU 89 HB1 LEU 89 -11.512 -9.147 -1.562 699 HB3 LEU 89 HB2 LEU 89 -10.652 -7.812 -2.359 700 HG LEU 89 HG LEU 89 -12.767 -6.825 -3.044 701 HD11 LEU 89 HD11 LEU 89 -14.278 -8.658 -3.375 702 HD12 LEU 89 HD12 LEU 89 -14.926 -7.697 -2.044 703 HD13 LEU 89 HD13 LEU 89 -14.078 -9.218 -1.699 704 HD21 LEU 89 HD21 LEU 89 -12.577 -7.575 -0.115 705 HD22 LEU 89 HD22 LEU 89 -13.530 -6.221 -0.756 706 HD23 LEU 89 HD23 LEU 89 -11.773 -6.213 -0.930 707 H LYS 90 H LYS 90 -10.702 -11.216 -2.358 708 HA LYS 90 HA LYS 90 -12.712 -13.145 -3.449 709 HB2 LYS 90 HB1 LYS 90 -10.001 -13.666 -2.231 710 HB3 LYS 90 HB2 LYS 90 -11.030 -14.836 -3.082 711 HG2 LYS 90 HG1 LYS 90 -9.681 -12.386 -4.302 712 HG3 LYS 90 HG2 LYS 90 -9.197 -14.094 -4.492 713 HD2 LYS 90 HD1 LYS 90 -11.306 -14.561 -5.681 714 HD3 LYS 90 HD2 LYS 90 -11.770 -12.849 -5.526 715 HE2 LYS 90 HE1 LYS 90 -9.923 -12.129 -6.871 716 HE3 LYS 90 HE2 LYS 90 -9.188 -13.739 -6.888 717 HZ1 LYS 90 HZ1 LYS 90 -11.080 -14.496 -8.225 718 HZ2 LYS 90 HZ2 LYS 90 -10.285 -13.272 -8.929 719 HZ3 LYS 90 HZ3 LYS 90 -11.704 -12.951 -8.240 720 H ARG 91 H ARG 91 -11.836 -11.622 -0.552 721 HA ARG 91 HA ARG 91 -13.639 -13.245 1.186 722 HB2 ARG 91 HB1 ARG 91 -10.950 -11.900 1.720 723 HB3 ARG 91 HB2 ARG 91 -11.974 -12.489 3.029 724 HG2 ARG 91 HG1 ARG 91 -10.720 -14.215 0.868 725 HG3 ARG 91 HG2 ARG 91 -10.149 -14.017 2.554 726 HD2 ARG 91 HD1 ARG 91 -11.340 -15.986 2.738 727 HD3 ARG 91 HD2 ARG 91 -12.564 -14.765 3.163 728 HE ARG 91 HE ARG 91 -12.823 -15.058 0.448 729 HH11 ARG 91 HH12 ARG 91 -13.022 -17.482 3.004 730 HH12 ARG 91 HH11 ARG 91 -14.116 -18.476 2.079 731 HH21 ARG 91 HH22 ARG 91 -14.218 -16.228 -0.613 732 HH22 ARG 91 HH21 ARG 91 -14.829 -17.745 0.005 733 HA PRO 92 HA PRO 92 -14.954 -9.026 2.605 734 HB2 PRO 92 HB1 PRO 92 -15.130 -9.327 5.313 735 HB3 PRO 92 HB2 PRO 92 -16.359 -9.996 4.197 736 HG2 PRO 92 HG1 PRO 92 -13.972 -11.440 5.391 737 HG3 PRO 92 HG2 PRO 92 -15.694 -11.959 5.408 738 HD2 PRO 92 HD1 PRO 92 -13.972 -12.888 3.523 739 HD3 PRO 92 HD2 PRO 92 -15.647 -12.440 3.078 740 H LEU 93 H LEU 93 -14.090 -7.661 4.635 741 HA LEU 93 HA LEU 93 -11.450 -7.719 5.453 742 HB2 LEU 93 HB1 LEU 93 -10.296 -6.105 4.226 743 HB3 LEU 93 HB2 LEU 93 -10.858 -7.348 3.108 744 HG LEU 93 HG LEU 93 -11.760 -4.462 3.373 745 HD11 LEU 93 HD11 LEU 93 -11.132 -4.428 1.033 746 HD12 LEU 93 HD12 LEU 93 -10.597 -6.119 1.121 747 HD13 LEU 93 HD13 LEU 93 -9.774 -4.866 2.080 748 HD21 LEU 93 HD21 LEU 93 -13.395 -4.956 1.503 749 HD22 LEU 93 HD22 LEU 93 -13.867 -5.603 3.075 750 HD23 LEU 93 HD23 LEU 93 -13.177 -6.680 1.850 751 H LYS 94 H LYS 94 -13.144 -7.552 7.069 752 HA LYS 94 HA LYS 94 -14.067 -4.764 7.597 753 HB2 LYS 94 HB1 LYS 94 -14.952 -7.471 8.580 754 HB3 LYS 94 HB2 LYS 94 -15.512 -5.968 9.330 755 HG2 LYS 94 HG1 LYS 94 -16.880 -7.302 7.478 756 HG3 LYS 94 HG2 LYS 94 -17.004 -5.551 7.695 757 HD2 LYS 94 HD1 LYS 94 -15.501 -5.215 5.770 758 HD3 LYS 94 HD2 LYS 94 -15.382 -6.985 5.587 759 HE2 LYS 94 HE1 LYS 94 -17.787 -7.117 5.109 760 HE3 LYS 94 HE2 LYS 94 -17.927 -5.357 5.317 761 HZ1 LYS 94 HZ1 LYS 94 -16.361 -6.746 3.200 762 HZ2 LYS 94 HZ2 LYS 94 -16.351 -5.138 3.449 763 HZ3 LYS 94 HZ3 LYS 94 -17.732 -5.869 2.975 764 H ALA 95 H ALA 95 -14.115 -4.200 9.968 765 HA ALA 95 HA ALA 95 -11.413 -3.780 10.724 766 HB1 ALA 95 HB1 ALA 95 -13.986 -3.304 12.292 767 HB2 ALA 95 HB2 ALA 95 -12.402 -2.558 12.593 768 HB3 ALA 95 HB3 ALA 95 -13.284 -2.186 11.095 769 H GLY 96 H GLY 96 -10.129 -5.053 11.715 770 HA2 GLY 96 HA3 GLY 96 -9.344 -6.273 13.604 771 HA3 GLY 96 HA2 GLY 96 -11.007 -6.795 13.952 772 H GLU 97 H GLU 97 -10.536 -7.246 10.655 773 HA GLU 97 HA GLU 97 -9.753 -10.085 10.863 774 HB2 GLU 97 HB1 GLU 97 -10.404 -8.263 8.520 775 HB3 GLU 97 HB2 GLU 97 -10.021 -9.998 8.383 776 HG2 GLU 97 HG1 GLU 97 -11.946 -10.605 9.700 777 HG3 GLU 97 HG2 GLU 97 -12.351 -8.920 10.037 778 H GLU 98 H GLU 98 -8.096 -10.432 8.669 779 HA GLU 98 HA GLU 98 -5.787 -8.821 8.807 780 HB2 GLU 98 HB1 GLU 98 -4.257 -10.474 9.750 781 HB3 GLU 98 HB2 GLU 98 -5.426 -9.910 10.956 782 HG2 GLU 98 HG1 GLU 98 -6.722 -11.992 10.678 783 HG3 GLU 98 HG2 GLU 98 -5.576 -12.558 9.442 784 H VAL 99 H VAL 99 -4.541 -9.196 7.223 785 HA VAL 99 HA VAL 99 -5.216 -11.186 5.092 786 HB VAL 99 HB VAL 99 -5.429 -8.153 4.950 787 HG11 VAL 99 HG11 VAL 99 -6.003 -8.486 2.520 788 HG12 VAL 99 HG12 VAL 99 -4.317 -8.799 2.901 789 HG13 VAL 99 HG13 VAL 99 -5.425 -10.168 2.670 790 HG21 VAL 99 HG21 VAL 99 -7.465 -10.351 4.341 791 HG22 VAL 99 HG22 VAL 99 -7.502 -9.268 5.744 792 HG23 VAL 99 HG23 VAL 99 -7.730 -8.608 4.128 793 H GLU 100 H GLU 100 -3.602 -11.796 3.876 794 HA GLU 100 HA GLU 100 -0.861 -10.873 4.293 795 HB2 GLU 100 HB1 GLU 100 -1.382 -13.229 3.975 796 HB3 GLU 100 HB2 GLU 100 -2.104 -12.891 2.392 797 HG2 GLU 100 HG1 GLU 100 0.149 -12.069 1.624 798 HG3 GLU 100 HG2 GLU 100 0.824 -12.586 3.181 799 H LEU 101 H LEU 101 0.288 -9.494 3.065 800 HA LEU 101 HA LEU 101 -0.525 -9.077 0.245 801 HB2 LEU 101 HB1 LEU 101 0.203 -6.977 2.244 802 HB3 LEU 101 HB2 LEU 101 0.957 -6.871 0.617 803 HG LEU 101 HG LEU 101 -1.418 -7.104 -0.319 804 HD11 LEU 101 HD11 LEU 101 -3.229 -6.188 1.111 805 HD12 LEU 101 HD12 LEU 101 -2.126 -6.181 2.508 806 HD13 LEU 101 HD13 LEU 101 -2.625 -7.707 1.763 807 HD21 LEU 101 HD21 LEU 101 -0.071 -5.043 -0.401 808 HD22 LEU 101 HD22 LEU 101 -0.720 -4.578 1.197 809 HD23 LEU 101 HD23 LEU 101 -1.796 -4.716 -0.210 810 H ASP 102 H ASP 102 0.882 -9.393 -1.188 811 HA ASP 102 HA ASP 102 3.698 -10.173 -0.686 812 HB2 ASP 102 HB1 ASP 102 2.137 -9.912 -3.256 813 HB3 ASP 102 HB2 ASP 102 3.685 -10.702 -3.095 814 H LEU 103 H LEU 103 5.396 -8.899 -1.381 815 HA LEU 103 HA LEU 103 4.858 -6.254 -2.663 816 HB2 LEU 103 HB1 LEU 103 6.993 -7.215 -0.719 817 HB3 LEU 103 HB2 LEU 103 7.087 -5.692 -1.648 818 HG LEU 103 HG LEU 103 4.878 -5.061 -0.529 819 HD11 LEU 103 HD11 LEU 103 5.646 -7.392 1.283 820 HD12 LEU 103 HD12 LEU 103 4.067 -7.070 0.524 821 HD13 LEU 103 HD13 LEU 103 4.625 -6.046 1.829 822 HD21 LEU 103 HD21 LEU 103 7.037 -4.028 0.011 823 HD22 LEU 103 HD22 LEU 103 7.452 -5.387 1.081 824 HD23 LEU 103 HD23 LEU 103 6.152 -4.277 1.518 825 H LEU 104 H LEU 104 5.649 -6.043 -4.672 826 HA LEU 104 HA LEU 104 7.463 -8.130 -5.796 827 HB2 LEU 104 HB1 LEU 104 5.570 -6.135 -7.080 828 HB3 LEU 104 HB2 LEU 104 6.524 -7.292 -7.982 829 HG LEU 104 HG LEU 104 4.201 -7.832 -6.084 830 HD11 LEU 104 HD11 LEU 104 3.596 -7.098 -8.355 831 HD12 LEU 104 HD12 LEU 104 3.151 -8.787 -8.108 832 HD13 LEU 104 HD13 LEU 104 4.595 -8.388 -9.058 833 HD21 LEU 104 HD21 LEU 104 5.796 -9.648 -5.705 834 HD22 LEU 104 HD22 LEU 104 5.972 -9.898 -7.459 835 HD23 LEU 104 HD23 LEU 104 4.429 -10.244 -6.646 836 H PHE 105 H PHE 105 9.531 -7.612 -5.834 837 HA PHE 105 HA PHE 105 10.353 -4.759 -5.917 838 HB2 PHE 105 HB1 PHE 105 11.579 -7.240 -4.724 839 HB3 PHE 105 HB2 PHE 105 12.447 -5.700 -4.869 840 HD1 PHE 105 HD2 PHE 105 11.174 -3.593 -3.897 841 HD2 PHE 105 HD1 PHE 105 10.380 -7.674 -2.743 842 HE1 PHE 105 HE2 PHE 105 10.305 -2.812 -1.711 843 HE2 PHE 105 HE1 PHE 105 9.502 -6.882 -0.567 844 HZ PHE 105 HZ PHE 105 9.482 -4.451 -0.040 845 H ALA 106 H ALA 106 10.902 -4.165 -7.885 846 HA ALA 106 HA ALA 106 11.826 -4.022 -9.964 847 HB1 ALA 106 HB1 ALA 106 14.221 -4.437 -9.984 848 HB2 ALA 106 HB2 ALA 106 13.763 -3.828 -8.382 849 HB3 ALA 106 HB3 ALA 106 14.091 -5.560 -8.622 850 H GLY 107 H GLY 107 10.271 -6.608 -9.472 851 HA2 GLY 107 HA3 GLY 107 9.651 -8.457 -10.733 852 HA3 GLY 107 HA2 GLY 107 10.973 -8.128 -11.876 853 H GLY 108 H GLY 108 13.212 -8.256 -10.588 854 HA2 GLY 108 HA3 GLY 108 13.611 -11.048 -10.176 855 HA3 GLY 108 HA2 GLY 108 14.844 -9.770 -10.085 856 H LYS 109 H LYS 109 12.250 -9.446 -7.779 857 HA LYS 109 HA LYS 109 13.021 -11.368 -5.868 858 HB2 LYS 109 HB1 LYS 109 14.184 -8.666 -5.745 859 HB3 LYS 109 HB2 LYS 109 13.175 -8.987 -4.306 860 HG2 LYS 109 HG1 LYS 109 14.334 -10.951 -3.765 861 HG3 LYS 109 HG2 LYS 109 15.132 -11.060 -5.331 862 HD2 LYS 109 HD1 LYS 109 15.718 -8.582 -3.787 863 HD3 LYS 109 HD2 LYS 109 16.276 -10.104 -3.029 864 HE2 LYS 109 HE1 LYS 109 17.996 -9.013 -4.485 865 HE3 LYS 109 HE2 LYS 109 17.596 -10.685 -4.938 866 HZ1 LYS 109 HZ1 LYS 109 17.742 -9.250 -6.866 867 HZ2 LYS 109 HZ2 LYS 109 16.577 -8.245 -6.273 868 HZ3 LYS 109 HZ3 LYS 109 16.206 -9.793 -6.700 869 H VAL 110 H VAL 110 11.480 -11.685 -4.254 870 HA VAL 110 HA VAL 110 9.130 -9.951 -4.153 871 HB VAL 110 HB VAL 110 8.975 -12.937 -4.752 872 HG11 VAL 110 HG11 VAL 110 6.473 -12.589 -4.805 873 HG12 VAL 110 HG12 VAL 110 7.183 -12.474 -3.200 874 HG13 VAL 110 HG13 VAL 110 6.730 -10.993 -4.070 875 HG21 VAL 110 HG21 VAL 110 9.351 -11.712 -6.812 876 HG22 VAL 110 HG22 VAL 110 7.662 -12.211 -6.770 877 HG23 VAL 110 HG23 VAL 110 8.092 -10.529 -6.393 878 H LEU 111 H LEU 111 8.000 -10.177 -2.173 879 HA LEU 111 HA LEU 111 8.736 -12.154 -0.188 880 HB2 LEU 111 HB1 LEU 111 10.111 -9.645 -0.193 881 HB3 LEU 111 HB2 LEU 111 8.933 -9.539 1.123 882 HG LEU 111 HG LEU 111 10.990 -11.770 0.748 883 HD11 LEU 111 HD11 LEU 111 12.016 -9.570 1.285 884 HD12 LEU 111 HD12 LEU 111 12.197 -10.731 2.612 885 HD13 LEU 111 HD13 LEU 111 10.975 -9.449 2.723 886 HD21 LEU 111 HD21 LEU 111 9.038 -12.590 2.014 887 HD22 LEU 111 HD22 LEU 111 9.111 -11.170 3.084 888 HD23 LEU 111 HD23 LEU 111 10.413 -12.377 3.101 889 H LYS 112 H LYS 112 7.281 -11.651 1.904 890 HA LYS 112 HA LYS 112 4.942 -10.043 1.316 891 HB2 LYS 112 HB1 LYS 112 3.295 -11.707 1.191 892 HB3 LYS 112 HB2 LYS 112 4.513 -12.024 -0.061 893 HG2 LYS 112 HG1 LYS 112 5.401 -13.894 1.388 894 HG3 LYS 112 HG2 LYS 112 4.009 -13.611 2.473 895 HD2 LYS 112 HD1 LYS 112 2.520 -13.710 0.424 896 HD3 LYS 112 HD2 LYS 112 3.922 -14.266 -0.508 897 HE2 LYS 112 HE1 LYS 112 3.952 -16.360 0.581 898 HE3 LYS 112 HE2 LYS 112 2.948 -15.751 1.937 899 HZ1 LYS 112 HZ1 LYS 112 1.658 -17.070 0.312 900 HZ2 LYS 112 HZ2 LYS 112 1.933 -15.871 -0.830 901 HZ3 LYS 112 HZ3 LYS 112 1.113 -15.560 0.539 902 H VAL 113 H VAL 113 3.351 -9.935 2.991 903 HA VAL 113 HA VAL 113 4.223 -10.778 5.697 904 HB VAL 113 HB VAL 113 3.664 -7.845 5.416 905 HG11 VAL 113 HG11 VAL 113 3.886 -8.869 7.647 906 HG12 VAL 113 HG12 VAL 113 5.509 -9.458 7.232 907 HG13 VAL 113 HG13 VAL 113 5.189 -7.714 7.364 908 HG21 VAL 113 HG21 VAL 113 6.040 -7.227 5.175 909 HG22 VAL 113 HG22 VAL 113 6.471 -8.924 4.886 910 HG23 VAL 113 HG23 VAL 113 5.451 -8.036 3.726 911 H VAL 114 H VAL 114 2.560 -10.311 7.330 912 HA VAL 114 HA VAL 114 -0.181 -10.097 6.148 913 HB VAL 114 HB VAL 114 0.656 -11.360 8.782 914 HG11 VAL 114 HG11 VAL 114 -1.620 -10.414 8.950 915 HG12 VAL 114 HG12 VAL 114 -2.079 -11.185 7.415 916 HG13 VAL 114 HG13 VAL 114 -1.715 -12.171 8.844 917 HG21 VAL 114 HG21 VAL 114 -0.052 -13.494 7.697 918 HG22 VAL 114 HG22 VAL 114 -0.298 -12.625 6.168 919 HG23 VAL 114 HG23 VAL 114 1.329 -12.765 6.872 920 H LEU 115 H LEU 115 -1.479 -8.512 6.757 921 HA LEU 115 HA LEU 115 -0.706 -6.611 8.945 922 HB2 LEU 115 HB1 LEU 115 -2.130 -6.015 6.330 923 HB3 LEU 115 HB2 LEU 115 -1.785 -4.868 7.650 924 HG LEU 115 HG LEU 115 -0.335 -4.279 5.989 925 HD11 LEU 115 HD11 LEU 115 0.806 -4.620 8.220 926 HD12 LEU 115 HD12 LEU 115 1.881 -4.595 6.807 927 HD13 LEU 115 HD13 LEU 115 1.467 -6.132 7.583 928 HD21 LEU 115 HD21 LEU 115 0.557 -7.141 5.479 929 HD22 LEU 115 HD22 LEU 115 1.035 -5.684 4.602 930 HD23 LEU 115 HD23 LEU 115 -0.639 -6.251 4.516 931 HA PRO 116 HA PRO 116 -5.083 -7.482 10.174 932 HB2 PRO 116 HB1 PRO 116 -5.552 -5.323 11.748 933 HB3 PRO 116 HB2 PRO 116 -4.563 -6.722 12.269 934 HG2 PRO 116 HG1 PRO 116 -3.576 -4.104 11.091 935 HG3 PRO 116 HG2 PRO 116 -3.015 -4.919 12.597 936 HD2 PRO 116 HD1 PRO 116 -1.681 -5.240 10.263 937 HD3 PRO 116 HD2 PRO 116 -1.925 -6.623 11.372 938 H VAL 117 H VAL 117 -7.199 -6.374 9.862 939 HA VAL 117 HA VAL 117 -7.138 -4.238 7.751 940 HB VAL 117 HB VAL 117 -9.464 -6.003 8.541 941 HG11 VAL 117 HG11 VAL 117 -10.359 -5.176 6.336 942 HG12 VAL 117 HG12 VAL 117 -10.169 -3.883 7.516 943 HG13 VAL 117 HG13 VAL 117 -8.982 -4.089 6.203 944 HG21 VAL 117 HG21 VAL 117 -9.181 -7.292 6.524 945 HG22 VAL 117 HG22 VAL 117 -7.746 -6.379 6.066 946 HG23 VAL 117 HG23 VAL 117 -7.715 -7.430 7.495 947 H GLU 118 H GLU 118 -7.574 -2.222 8.470 948 HA GLU 118 HA GLU 118 -9.164 -1.808 10.969 949 HB2 GLU 118 HB1 GLU 118 -6.678 -0.600 9.863 950 HB3 GLU 118 HB2 GLU 118 -7.780 0.496 10.732 951 HG2 GLU 118 HG1 GLU 118 -6.047 -0.436 12.197 952 HG3 GLU 118 HG2 GLU 118 -7.690 -0.848 12.718 953 H ALA 119 H ALA 119 -10.435 -0.003 11.248 954 HA ALA 119 HA ALA 119 -12.145 0.563 8.986 955 HB1 ALA 119 HB1 ALA 119 -13.020 0.024 11.226 956 HB2 ALA 119 HB2 ALA 119 -12.277 1.505 11.877 957 HB3 ALA 119 HB3 ALA 119 -13.584 1.612 10.684 958 H ARG 120 H ARG 120 -12.940 2.548 8.370 959 HA ARG 120 HA ARG 120 -11.037 4.065 7.067 960 HB2 ARG 120 HB1 ARG 120 -13.180 3.692 6.158 961 HB3 ARG 120 HB2 ARG 120 -14.017 4.434 7.524 962 HG2 ARG 120 HG1 ARG 120 -12.124 6.098 5.866 963 HG3 ARG 120 HG2 ARG 120 -13.744 5.707 5.225 964 HD2 ARG 120 HD1 ARG 120 -14.784 7.149 6.581 965 HD3 ARG 120 HD2 ARG 120 -13.841 6.711 7.997 966 HE ARG 120 HE ARG 120 -12.972 8.620 5.861 967 HH11 ARG 120 HH12 ARG 120 -12.437 7.547 9.172 968 HH12 ARG 120 HH11 ARG 120 -11.771 9.058 9.642 969 HH21 ARG 120 HH22 ARG 120 -11.900 10.435 6.512 970 HH22 ARG 120 HH21 ARG 120 -11.388 10.588 8.169 Start of MODEL 30 1 H1 GLY 1 1H GLY 1 1.763 2.847 17.698 2 H2 GLY 1 2H GLY 1 0.320 3.610 17.642 3 H3 GLY 1 3H GLY 1 0.746 2.774 19.007 4 HA2 GLY 1 HA3 GLY 1 0.966 5.196 19.303 5 HA3 GLY 1 HA2 GLY 1 2.518 4.345 19.465 6 H SER 2 H SER 2 4.202 5.181 18.145 7 HA SER 2 HA SER 2 3.898 5.943 15.407 8 HB2 SER 2 HB1 SER 2 5.824 3.836 16.398 9 HB3 SER 2 HB2 SER 2 6.065 5.063 15.138 10 HG SER 2 HG SER 2 7.171 5.721 16.952 11 H PHE 3 H PHE 3 4.074 4.431 13.548 12 HA PHE 3 HA PHE 3 2.338 2.068 13.751 13 HB2 PHE 3 HB1 PHE 3 3.795 3.405 11.454 14 HB3 PHE 3 HB2 PHE 3 2.826 1.932 11.278 15 HD1 PHE 3 HD1 PHE 3 2.705 5.583 11.895 16 HD2 PHE 3 HD2 PHE 3 0.383 1.972 11.473 17 HE1 PHE 3 HE1 PHE 3 0.627 6.930 11.779 18 HE2 PHE 3 HE2 PHE 3 -1.688 3.319 11.326 19 HZ PHE 3 HZ PHE 3 -1.578 5.803 11.499 20 H THR 4 H THR 4 3.134 0.094 12.620 21 HA THR 4 HA THR 4 5.839 -0.828 13.520 22 HB THR 4 HB THR 4 4.417 -2.925 14.241 23 HG1 THR 4 HG1 THR 4 2.313 -2.679 14.147 24 HG21 THR 4 HG21 THR 4 3.986 -1.999 16.469 25 HG22 THR 4 HG22 THR 4 4.148 -0.342 15.846 26 HG23 THR 4 HG23 THR 4 5.556 -1.431 15.864 27 H GLU 5 H GLU 5 2.872 -1.751 11.909 28 HA GLU 5 HA GLU 5 4.283 -3.321 9.815 29 HB2 GLU 5 HB1 GLU 5 2.690 -5.062 10.160 30 HB3 GLU 5 HB2 GLU 5 3.399 -4.646 11.733 31 HG2 GLU 5 HG1 GLU 5 1.165 -2.970 11.555 32 HG3 GLU 5 HG2 GLU 5 0.644 -4.470 10.758 33 H GLY 6 H GLY 6 2.202 -4.075 8.282 34 HA2 GLY 6 HA3 GLY 6 1.025 -1.560 7.231 35 HA3 GLY 6 HA2 GLY 6 0.980 -3.156 6.450 36 H TRP 7 H TRP 7 -1.327 -1.813 6.501 37 HA TRP 7 HA TRP 7 -2.827 -3.883 7.746 38 HB2 TRP 7 HB1 TRP 7 -4.392 -2.774 9.032 39 HB3 TRP 7 HB2 TRP 7 -2.842 -2.148 9.575 40 HD1 TRP 7 HD TRP 7 -6.194 -1.135 8.522 41 HE1 TRP 7 HE1 TRP 7 -6.427 1.405 8.557 42 HE3 TRP 7 3HE TRP 7 -1.226 0.130 8.654 43 HZ2 TRP 7 HZ2 TRP 7 -4.693 3.690 8.329 44 HZ3 TRP 7 HZ3 TRP 7 -0.549 2.505 8.514 45 HH2 TRP 7 HH TRP 7 -2.257 4.296 8.353 46 H VAL 8 H VAL 8 -4.765 -4.323 6.644 47 HA VAL 8 HA VAL 8 -5.016 -2.910 4.007 48 HB VAL 8 HB VAL 8 -6.200 -5.548 4.919 49 HG11 VAL 8 HG11 VAL 8 -7.687 -4.493 3.263 50 HG12 VAL 8 HG12 VAL 8 -6.302 -4.152 2.202 51 HG13 VAL 8 HG13 VAL 8 -6.815 -5.826 2.502 52 HG21 VAL 8 HG21 VAL 8 -3.891 -4.894 3.041 53 HG22 VAL 8 HG22 VAL 8 -3.805 -5.769 4.588 54 HG23 VAL 8 HG23 VAL 8 -4.621 -6.501 3.205 55 H ARG 9 H ARG 9 -6.695 -1.578 3.582 56 HA ARG 9 HA ARG 9 -8.212 -0.699 5.834 57 HB2 ARG 9 HB1 ARG 9 -7.237 0.770 4.141 58 HB3 ARG 9 HB2 ARG 9 -8.445 0.240 2.970 59 HG2 ARG 9 HG1 ARG 9 -9.464 1.260 5.595 60 HG3 ARG 9 HG2 ARG 9 -8.708 2.444 4.486 61 HD2 ARG 9 HD1 ARG 9 -10.253 1.849 2.711 62 HD3 ARG 9 HD2 ARG 9 -10.989 0.600 3.723 63 HE ARG 9 HE ARG 9 -11.066 3.180 5.033 64 HH11 ARG 9 HH12 ARG 9 -12.893 1.315 2.618 65 HH12 ARG 9 HH11 ARG 9 -14.249 2.411 2.753 66 HH21 ARG 9 HH22 ARG 9 -12.709 4.325 5.262 67 HH22 ARG 9 HH21 ARG 9 -14.182 4.136 4.320 68 H PHE 10 H PHE 10 -9.840 -1.861 6.597 69 HA PHE 10 HA PHE 10 -11.684 -3.594 5.431 70 HB2 PHE 10 HB1 PHE 10 -11.725 -3.303 7.802 71 HB3 PHE 10 HB2 PHE 10 -11.947 -1.546 7.668 72 HD1 PHE 10 HD1 PHE 10 -13.626 -4.830 7.114 73 HD2 PHE 10 HD2 PHE 10 -14.099 -0.556 7.231 74 HE1 PHE 10 HE1 PHE 10 -16.076 -5.092 6.855 75 HE2 PHE 10 HE2 PHE 10 -16.483 -0.809 6.678 76 HZ PHE 10 HZ PHE 10 -17.516 -3.088 6.571 77 H SER 11 H SER 11 -13.412 -3.401 3.916 78 HA SER 11 HA SER 11 -14.809 -0.843 3.751 79 HB2 SER 11 HB1 SER 11 -13.495 -2.302 1.393 80 HB3 SER 11 HB2 SER 11 -14.562 -0.902 1.275 81 HG SER 11 HG SER 11 -11.986 -1.097 2.428 82 HA PRO 12 HA PRO 12 -18.020 -3.958 3.084 83 HB2 PRO 12 HB1 PRO 12 -20.218 -2.440 3.224 84 HB3 PRO 12 HB2 PRO 12 -19.091 -2.505 4.615 85 HG2 PRO 12 HG1 PRO 12 -19.137 -0.433 2.380 86 HG3 PRO 12 HG2 PRO 12 -19.238 -0.116 4.146 87 HD2 PRO 12 HD1 PRO 12 -16.862 -0.056 2.764 88 HD3 PRO 12 HD2 PRO 12 -16.965 -0.638 4.450 89 H GLY 13 H GLY 13 -16.604 -3.566 0.855 90 HA2 GLY 13 HA3 GLY 13 -18.503 -3.261 -1.379 91 HA3 GLY 13 HA2 GLY 13 -17.240 -2.014 -1.255 92 HA PRO 14 HA PRO 14 -15.852 -5.679 -3.877 93 HB2 PRO 14 HB1 PRO 14 -15.549 -4.408 -6.272 94 HB3 PRO 14 HB2 PRO 14 -17.135 -4.988 -5.695 95 HG2 PRO 14 HG1 PRO 14 -15.988 -2.188 -5.484 96 HG3 PRO 14 HG2 PRO 14 -17.614 -2.673 -6.080 97 HD2 PRO 14 HD1 PRO 14 -17.206 -1.830 -3.516 98 HD3 PRO 14 HD2 PRO 14 -18.368 -3.134 -3.893 99 H ASN 15 H ASN 15 -14.541 -2.486 -3.266 100 HA ASN 15 HA ASN 15 -11.804 -3.402 -3.761 101 HB2 ASN 15 HB1 ASN 15 -11.466 -1.053 -4.564 102 HB3 ASN 15 HB2 ASN 15 -12.533 -2.011 -5.593 103 HD21 ASN 15 HD21 ASN 15 -13.016 0.322 -6.373 104 HD22 ASN 15 HD22 ASN 15 -14.312 1.133 -5.506 105 H ALA 16 H ALA 16 -10.208 -1.855 -2.785 106 HA ALA 16 HA ALA 16 -10.863 -0.523 -0.265 107 HB1 ALA 16 HB1 ALA 16 -9.414 -2.118 1.070 108 HB2 ALA 16 HB2 ALA 16 -10.861 -2.894 0.417 109 HB3 ALA 16 HB3 ALA 16 -9.291 -3.152 -0.360 110 H ALA 17 H ALA 17 -8.561 -0.180 0.915 111 HA ALA 17 HA ALA 17 -6.423 0.450 -1.026 112 HB1 ALA 17 HB1 ALA 17 -7.238 2.208 1.334 113 HB2 ALA 17 HB2 ALA 17 -5.851 2.473 0.267 114 HB3 ALA 17 HB3 ALA 17 -7.496 2.609 -0.379 115 H ALA 18 H ALA 18 -4.218 0.327 0.071 116 HA ALA 18 HA ALA 18 -4.289 -0.873 2.798 117 HB1 ALA 18 HB1 ALA 18 -2.855 -2.215 0.477 118 HB2 ALA 18 HB2 ALA 18 -2.836 -2.729 2.175 119 HB3 ALA 18 HB3 ALA 18 -4.349 -2.798 1.257 120 H TYR 19 H TYR 19 -2.573 -0.670 4.040 121 HA TYR 19 HA TYR 19 -0.278 0.997 3.120 122 HB2 TYR 19 HB1 TYR 19 -1.610 0.856 5.838 123 HB3 TYR 19 HB2 TYR 19 -0.171 1.809 5.451 124 HD1 TYR 19 HD1 TYR 19 -0.389 3.688 3.698 125 HD2 TYR 19 HD2 TYR 19 -3.795 1.726 5.467 126 HE1 TYR 19 HE1 TYR 19 -1.808 5.606 3.063 127 HE2 TYR 19 HE2 TYR 19 -5.233 3.643 4.818 128 HH TYR 19 HH TYR 19 -3.913 6.498 3.073 129 H LEU 20 H LEU 20 1.706 0.608 4.345 130 HA LEU 20 HA LEU 20 2.226 -2.179 5.227 131 HB2 LEU 20 HB1 LEU 20 2.390 -2.356 2.868 132 HB3 LEU 20 HB2 LEU 20 3.248 -0.801 2.754 133 HG LEU 20 HG LEU 20 5.214 -1.866 3.903 134 HD11 LEU 20 HD11 LEU 20 5.332 -4.344 3.939 135 HD12 LEU 20 HD12 LEU 20 3.630 -4.439 3.449 136 HD13 LEU 20 HD13 LEU 20 4.068 -3.755 5.030 137 HD21 LEU 20 HD21 LEU 20 4.364 -3.229 1.320 138 HD22 LEU 20 HD22 LEU 20 6.022 -2.966 1.936 139 HD23 LEU 20 HD23 LEU 20 5.051 -1.592 1.436 140 H THR 21 H THR 21 3.814 -2.261 6.707 141 HA THR 21 HA THR 21 6.013 -0.300 6.613 142 HB THR 21 HB THR 21 4.992 -1.385 9.243 143 HG1 THR 21 HG1 THR 21 3.468 0.009 8.882 144 HG21 THR 21 HG21 THR 21 7.370 -0.712 9.219 145 HG22 THR 21 HG22 THR 21 6.401 0.381 10.212 146 HG23 THR 21 HG23 THR 21 6.913 0.899 8.594 147 H LEU 22 H LEU 22 7.918 -1.350 6.532 148 HA LEU 22 HA LEU 22 8.474 -4.056 7.442 149 HB2 LEU 22 HB1 LEU 22 7.222 -4.562 5.445 150 HB3 LEU 22 HB2 LEU 22 8.119 -3.377 4.488 151 HG LEU 22 HG LEU 22 10.109 -4.827 4.549 152 HD11 LEU 22 HD11 LEU 22 8.320 -6.817 6.020 153 HD12 LEU 22 HD12 LEU 22 9.728 -5.995 6.723 154 HD13 LEU 22 HD13 LEU 22 9.954 -7.136 5.392 155 HD21 LEU 22 HD21 LEU 22 8.535 -4.982 2.724 156 HD22 LEU 22 HD22 LEU 22 7.594 -6.205 3.601 157 HD23 LEU 22 HD23 LEU 22 9.254 -6.561 3.077 158 H GLU 23 H GLU 23 10.891 -4.558 6.482 159 HA GLU 23 HA GLU 23 12.445 -2.083 6.034 160 HB2 GLU 23 HB1 GLU 23 14.287 -3.054 7.388 161 HB3 GLU 23 HB2 GLU 23 12.904 -2.489 8.328 162 HG2 GLU 23 HG1 GLU 23 12.929 -5.395 7.583 163 HG3 GLU 23 HG2 GLU 23 14.161 -4.850 8.751 164 H ASN 24 H ASN 24 14.299 -2.242 4.904 165 HA ASN 24 HA ASN 24 14.686 -4.599 3.118 166 HB2 ASN 24 HB1 ASN 24 14.630 -2.284 2.178 167 HB3 ASN 24 HB2 ASN 24 16.039 -1.860 3.160 168 HD21 ASN 24 HD21 ASN 24 16.682 -1.405 0.750 169 HD22 ASN 24 HD22 ASN 24 17.593 -2.723 0.003 170 HA PRO 25 HA PRO 25 17.927 -5.380 6.248 171 HB2 PRO 25 HB1 PRO 25 18.228 -8.084 5.896 172 HB3 PRO 25 HB2 PRO 25 16.804 -7.402 6.740 173 HG2 PRO 25 HG1 PRO 25 17.021 -8.160 3.802 174 HG3 PRO 25 HG2 PRO 25 15.767 -8.697 4.974 175 HD2 PRO 25 HD1 PRO 25 15.343 -6.587 3.313 176 HD3 PRO 25 HD2 PRO 25 14.778 -6.551 5.012 177 H GLY 26 H GLY 26 18.026 -5.614 2.774 178 HA2 GLY 26 HA3 GLY 26 20.661 -6.772 2.581 179 HA3 GLY 26 HA2 GLY 26 19.657 -6.092 1.280 180 H ASP 27 H ASP 27 22.197 -5.688 1.185 181 HA ASP 27 HA ASP 27 23.010 -3.029 2.138 182 HB2 ASP 27 HB1 ASP 27 24.313 -5.446 0.820 183 HB3 ASP 27 HB2 ASP 27 25.155 -3.937 1.182 184 H LEU 28 H LEU 28 21.317 -4.255 -0.336 185 HA LEU 28 HA LEU 28 22.044 -2.146 -2.280 186 HB2 LEU 28 HB1 LEU 28 21.262 -3.615 -4.061 187 HB3 LEU 28 HB2 LEU 28 22.605 -4.313 -3.099 188 HG LEU 28 HG LEU 28 20.715 -5.637 -1.876 189 HD11 LEU 28 HD11 LEU 28 18.787 -6.216 -3.369 190 HD12 LEU 28 HD12 LEU 28 19.262 -4.901 -4.465 191 HD13 LEU 28 HD13 LEU 28 18.712 -4.549 -2.815 192 HD21 LEU 28 HD21 LEU 28 21.448 -6.250 -4.772 193 HD22 LEU 28 HD22 LEU 28 20.857 -7.424 -3.573 194 HD23 LEU 28 HD23 LEU 28 22.425 -6.642 -3.340 195 HA PRO 29 HA PRO 29 18.055 -0.599 -1.443 196 HB2 PRO 29 HB1 PRO 29 17.361 0.816 -3.660 197 HB3 PRO 29 HB2 PRO 29 18.761 1.260 -2.640 198 HG2 PRO 29 HG1 PRO 29 18.761 -0.303 -5.225 199 HG3 PRO 29 HG2 PRO 29 19.855 1.036 -4.737 200 HD2 PRO 29 HD1 PRO 29 20.490 -1.653 -4.520 201 HD3 PRO 29 HD2 PRO 29 21.163 -0.429 -3.424 202 H LEU 30 H LEU 30 15.802 -0.822 -1.741 203 HA LEU 30 HA LEU 30 14.888 -2.905 -3.665 204 HB2 LEU 30 HB1 LEU 30 13.773 -1.977 -1.007 205 HB3 LEU 30 HB2 LEU 30 12.753 -2.828 -2.182 206 HG LEU 30 HG LEU 30 15.360 -3.909 -1.171 207 HD11 LEU 30 HD11 LEU 30 14.076 -5.283 0.434 208 HD12 LEU 30 HD12 LEU 30 12.548 -4.619 -0.182 209 HD13 LEU 30 HD13 LEU 30 13.670 -3.581 0.700 210 HD21 LEU 30 HD21 LEU 30 14.531 -6.107 -1.832 211 HD22 LEU 30 HD22 LEU 30 14.648 -5.020 -3.225 212 HD23 LEU 30 HD23 LEU 30 13.061 -5.368 -2.493 213 H ARG 31 H ARG 31 13.055 -2.601 -4.707 214 HA ARG 31 HA ARG 31 11.932 0.142 -5.054 215 HB2 ARG 31 HB1 ARG 31 13.713 -0.013 -6.731 216 HB3 ARG 31 HB2 ARG 31 13.000 -1.536 -7.335 217 HG2 ARG 31 HG1 ARG 31 11.492 -0.452 -8.593 218 HG3 ARG 31 HG2 ARG 31 11.060 0.682 -7.296 219 HD2 ARG 31 HD1 ARG 31 11.888 1.867 -9.226 220 HD3 ARG 31 HD2 ARG 31 12.935 2.115 -7.843 221 HE ARG 31 HE ARG 31 13.474 0.423 -10.256 222 HH11 ARG 31 HH12 ARG 31 14.878 2.064 -7.397 223 HH12 ARG 31 HH11 ARG 31 16.368 2.342 -8.156 224 HH21 ARG 31 HH22 ARG 31 15.554 0.642 -11.130 225 HH22 ARG 31 HH21 ARG 31 16.793 1.419 -10.182 226 H LEU 32 H LEU 32 9.819 -0.111 -4.764 227 HA LEU 32 HA LEU 32 8.549 -2.792 -5.089 228 HB2 LEU 32 HB1 LEU 32 8.586 -1.769 -2.880 229 HB3 LEU 32 HB2 LEU 32 7.849 -0.277 -3.509 230 HG LEU 32 HG LEU 32 5.756 -1.508 -3.962 231 HD11 LEU 32 HD11 LEU 32 6.572 -3.775 -4.373 232 HD12 LEU 32 HD12 LEU 32 5.463 -3.811 -3.004 233 HD13 LEU 32 HD13 LEU 32 7.218 -3.882 -2.722 234 HD21 LEU 32 HD21 LEU 32 6.838 -1.862 -1.125 235 HD22 LEU 32 HD22 LEU 32 5.122 -1.848 -1.583 236 HD23 LEU 32 HD23 LEU 32 6.100 -0.387 -1.790 237 H VAL 33 H VAL 33 7.475 -3.057 -6.927 238 HA VAL 33 HA VAL 33 6.458 -0.642 -8.396 239 HB VAL 33 HB VAL 33 6.924 -1.764 -10.459 240 HG11 VAL 33 HG11 VAL 33 9.329 -2.006 -10.432 241 HG12 VAL 33 HG12 VAL 33 8.904 -0.704 -9.320 242 HG13 VAL 33 HG13 VAL 33 9.344 -2.294 -8.683 243 HG21 VAL 33 HG21 VAL 33 6.350 -4.122 -9.904 244 HG22 VAL 33 HG22 VAL 33 7.930 -3.988 -10.674 245 HG23 VAL 33 HG23 VAL 33 7.832 -4.239 -8.928 246 H GLY 34 H GLY 34 5.433 -3.596 -6.921 247 HA2 GLY 34 HA3 GLY 34 2.678 -3.211 -7.701 248 HA3 GLY 34 HA2 GLY 34 3.386 -4.685 -8.399 249 H ALA 35 H ALA 35 1.462 -5.382 -7.024 250 HA ALA 35 HA ALA 35 2.674 -6.784 -4.794 251 HB1 ALA 35 HB1 ALA 35 0.820 -6.256 -3.216 252 HB2 ALA 35 HB2 ALA 35 1.753 -4.828 -3.643 253 HB3 ALA 35 HB3 ALA 35 0.168 -5.091 -4.383 254 H ARG 36 H ARG 36 0.842 -8.320 -3.879 255 HA ARG 36 HA ARG 36 -1.364 -9.071 -5.527 256 HB2 ARG 36 HB1 ARG 36 1.008 -10.929 -5.519 257 HB3 ARG 36 HB2 ARG 36 -0.649 -11.583 -5.532 258 HG2 ARG 36 HG1 ARG 36 -0.960 -10.056 -7.629 259 HG3 ARG 36 HG2 ARG 36 0.828 -10.097 -7.662 260 HD2 ARG 36 HD1 ARG 36 0.861 -12.497 -7.798 261 HD3 ARG 36 HD2 ARG 36 -0.877 -12.604 -7.425 262 HE ARG 36 HE ARG 36 -0.365 -11.085 -9.817 263 HH11 ARG 36 HH12 ARG 36 -0.707 -14.402 -8.637 264 HH12 ARG 36 HH11 ARG 36 -1.244 -15.011 -10.174 265 HH21 ARG 36 HH22 ARG 36 -1.073 -11.959 -11.805 266 HH22 ARG 36 HH21 ARG 36 -1.509 -13.638 -11.911 267 H THR 37 H THR 37 -2.313 -11.224 -4.394 268 HA THR 37 HA THR 37 -1.853 -11.788 -1.696 269 HB THR 37 HB THR 37 -2.455 -9.683 -0.970 270 HG1 THR 37 HG1 THR 37 -3.564 -10.757 0.332 271 HG21 THR 37 HG21 THR 37 -4.817 -9.725 -2.886 272 HG22 THR 37 HG22 THR 37 -3.453 -8.584 -2.904 273 HG23 THR 37 HG23 THR 37 -4.631 -8.529 -1.586 274 HA PRO 38 HA PRO 38 -5.050 -14.715 -2.946 275 HB2 PRO 38 HB1 PRO 38 -5.963 -15.624 -0.524 276 HB3 PRO 38 HB2 PRO 38 -4.381 -16.054 -1.258 277 HG2 PRO 38 HG1 PRO 38 -4.920 -13.962 0.845 278 HG3 PRO 38 HG2 PRO 38 -3.661 -15.252 0.857 279 HD2 PRO 38 HD1 PRO 38 -3.143 -12.697 0.037 280 HD3 PRO 38 HD2 PRO 38 -2.343 -14.067 -0.752 281 H VAL 39 H VAL 39 -5.647 -11.830 -1.241 282 HA VAL 39 HA VAL 39 -8.559 -11.995 -1.888 283 HB VAL 39 HB VAL 39 -8.994 -10.395 0.025 284 HG11 VAL 39 HG11 VAL 39 -9.486 -12.817 0.106 285 HG12 VAL 39 HG12 VAL 39 -7.873 -13.118 0.780 286 HG13 VAL 39 HG13 VAL 39 -9.055 -12.155 1.692 287 HG21 VAL 39 HG21 VAL 39 -7.446 -10.196 1.822 288 HG22 VAL 39 HG22 VAL 39 -6.259 -11.235 1.012 289 HG23 VAL 39 HG23 VAL 39 -6.635 -9.621 0.356 290 H ALA 40 H ALA 40 -7.069 -11.257 -3.898 291 HA ALA 40 HA ALA 40 -8.628 -8.985 -4.586 292 HB1 ALA 40 HB1 ALA 40 -5.610 -8.516 -4.780 293 HB2 ALA 40 HB2 ALA 40 -6.883 -7.406 -5.301 294 HB3 ALA 40 HB3 ALA 40 -6.668 -7.736 -3.583 295 H GLU 41 H GLU 41 -8.525 -8.434 -6.827 296 HA GLU 41 HA GLU 41 -7.742 -10.618 -8.692 297 HB2 GLU 41 HB1 GLU 41 -10.069 -9.368 -8.480 298 HB3 GLU 41 HB2 GLU 41 -9.269 -8.074 -9.378 299 HG2 GLU 41 HG1 GLU 41 -10.449 -9.432 -10.967 300 HG3 GLU 41 HG2 GLU 41 -8.735 -9.814 -11.178 301 H ARG 42 H ARG 42 -7.108 -7.253 -7.851 302 HA ARG 42 HA ARG 42 -4.698 -6.999 -9.429 303 HB2 ARG 42 HB1 ARG 42 -7.264 -5.485 -10.007 304 HB3 ARG 42 HB2 ARG 42 -5.663 -4.751 -10.262 305 HG2 ARG 42 HG1 ARG 42 -5.258 -7.028 -11.614 306 HG3 ARG 42 HG2 ARG 42 -7.027 -6.965 -11.762 307 HD2 ARG 42 HD1 ARG 42 -6.062 -5.845 -13.691 308 HD3 ARG 42 HD2 ARG 42 -6.793 -4.610 -12.637 309 HE ARG 42 HE ARG 42 -4.654 -3.912 -11.919 310 HH11 ARG 42 HH12 ARG 42 -4.294 -6.418 -14.353 311 HH12 ARG 42 HH11 ARG 42 -2.577 -6.147 -14.537 312 HH21 ARG 42 HH22 ARG 42 -2.528 -3.814 -11.940 313 HH22 ARG 42 HH21 ARG 42 -1.545 -4.508 -13.207 314 H VAL 43 H VAL 43 -3.662 -4.897 -8.870 315 HA VAL 43 HA VAL 43 -4.342 -3.615 -6.442 316 HB VAL 43 HB VAL 43 -3.792 -5.702 -5.543 317 HG11 VAL 43 HG11 VAL 43 -2.081 -6.551 -7.124 318 HG12 VAL 43 HG12 VAL 43 -0.888 -5.426 -6.445 319 HG13 VAL 43 HG13 VAL 43 -1.610 -6.690 -5.429 320 HG21 VAL 43 HG21 VAL 43 -3.406 -3.631 -4.250 321 HG22 VAL 43 HG22 VAL 43 -2.329 -4.938 -3.726 322 HG23 VAL 43 HG23 VAL 43 -1.707 -3.631 -4.759 323 H GLU 44 H GLU 44 -3.814 -1.745 -6.927 324 HA GLU 44 HA GLU 44 -1.346 -1.168 -8.549 325 HB2 GLU 44 HB1 GLU 44 -4.205 -0.267 -8.874 326 HB3 GLU 44 HB2 GLU 44 -2.839 0.726 -9.478 327 HG2 GLU 44 HG1 GLU 44 -3.515 -0.524 -11.319 328 HG3 GLU 44 HG2 GLU 44 -2.042 -1.308 -10.752 329 H LEU 45 H LEU 45 -0.128 0.543 -8.084 330 HA LEU 45 HA LEU 45 -0.323 1.521 -5.348 331 HB2 LEU 45 HB1 LEU 45 1.686 0.459 -6.320 332 HB3 LEU 45 HB2 LEU 45 1.765 1.752 -7.546 333 HG LEU 45 HG LEU 45 2.055 3.382 -5.581 334 HD11 LEU 45 HD11 LEU 45 2.941 2.486 -3.495 335 HD12 LEU 45 HD12 LEU 45 2.762 0.829 -4.091 336 HD13 LEU 45 HD13 LEU 45 1.318 1.819 -3.760 337 HD21 LEU 45 HD21 LEU 45 3.856 2.587 -7.132 338 HD22 LEU 45 HD22 LEU 45 4.219 1.277 -5.988 339 HD23 LEU 45 HD23 LEU 45 4.437 2.983 -5.514 340 H HIS 46 H HIS 46 -1.027 3.446 -4.725 341 HA HIS 46 HA HIS 46 -1.021 5.791 -6.591 342 HB2 HIS 46 HB1 HIS 46 -2.838 5.224 -4.238 343 HB3 HIS 46 HB2 HIS 46 -2.945 6.618 -5.308 344 HD2 HIS 46 HD2 HIS 46 -2.596 4.036 -7.755 345 HE1 HIS 46 HE1 HIS 46 -6.603 3.417 -6.474 346 HE2 HIS 46 HE2 HIS 46 -4.868 2.824 -8.286 347 H GLU 47 H GLU 47 -0.815 7.749 -5.768 348 HA GLU 47 HA GLU 47 0.353 8.092 -3.029 349 HB2 GLU 47 HB1 GLU 47 1.419 10.045 -3.663 350 HB3 GLU 47 HB2 GLU 47 1.707 8.922 -5.018 351 HG2 GLU 47 HG1 GLU 47 -0.040 10.008 -6.323 352 HG3 GLU 47 HG2 GLU 47 -0.406 11.112 -4.980 353 H THR 48 H THR 48 -0.499 9.803 -1.786 354 HA THR 48 HA THR 48 -3.080 11.088 -2.628 355 HB THR 48 HB THR 48 -1.961 10.656 0.161 356 HG1 THR 48 HG1 THR 48 -3.415 9.166 0.444 357 HG21 THR 48 HG21 THR 48 -4.707 11.670 -0.676 358 HG22 THR 48 HG22 THR 48 -3.408 12.670 0.014 359 HG23 THR 48 HG23 THR 48 -4.139 11.391 0.991 360 H PHE 49 H PHE 49 -2.832 13.353 -2.723 361 HA PHE 49 HA PHE 49 -0.241 14.523 -1.803 362 HB2 PHE 49 HB1 PHE 49 -0.111 15.813 -3.851 363 HB3 PHE 49 HB2 PHE 49 -0.020 14.082 -4.147 364 HD1 PHE 49 HD1 PHE 49 -2.263 17.066 -4.331 365 HD2 PHE 49 HD2 PHE 49 -1.529 13.070 -5.763 366 HE1 PHE 49 HE1 PHE 49 -3.986 17.378 -6.073 367 HE2 PHE 49 HE2 PHE 49 -3.238 13.399 -7.528 368 HZ PHE 49 HZ PHE 49 -4.460 15.556 -7.700 369 H MET 50 H MET 50 -0.203 16.848 -1.860 370 HA MET 50 HA MET 50 -2.756 18.162 -0.975 371 HB2 MET 50 HB1 MET 50 0.140 18.960 -0.505 372 HB3 MET 50 HB2 MET 50 -1.286 19.922 -0.038 373 HG2 MET 50 HG1 MET 50 -2.042 18.004 1.381 374 HG3 MET 50 HG2 MET 50 -0.521 17.175 1.016 375 HE1 MET 50 HE1 MET 50 0.211 18.099 4.677 376 HE2 MET 50 HE2 MET 50 -1.287 17.462 3.961 377 HE3 MET 50 HE3 MET 50 0.296 16.856 3.413 378 H ARG 51 H ARG 51 -3.419 20.053 -2.005 379 HA ARG 51 HA ARG 51 -1.856 21.171 -4.224 380 HB2 ARG 51 HB1 ARG 51 -3.600 19.053 -4.713 381 HB3 ARG 51 HB2 ARG 51 -4.553 20.465 -5.165 382 HG2 ARG 51 HG1 ARG 51 -1.736 20.414 -6.170 383 HG3 ARG 51 HG2 ARG 51 -2.821 19.161 -6.833 384 HD2 ARG 51 HD1 ARG 51 -4.157 20.663 -7.926 385 HD3 ARG 51 HD2 ARG 51 -3.816 21.970 -6.767 386 HE ARG 51 HE ARG 51 -2.392 22.768 -8.293 387 HH11 ARG 51 HH12 ARG 51 -2.168 19.279 -8.661 388 HH12 ARG 51 HH11 ARG 51 -0.955 19.379 -9.908 389 HH21 ARG 51 HH22 ARG 51 -0.788 22.852 -9.868 390 HH22 ARG 51 HH21 ARG 51 -0.177 21.383 -10.564 391 H GLU 52 H GLU 52 -2.607 23.266 -4.928 392 HA GLU 52 HA GLU 52 -4.843 24.487 -3.449 393 HB2 GLU 52 HB1 GLU 52 -2.506 25.454 -3.390 394 HB3 GLU 52 HB2 GLU 52 -2.620 25.666 -5.154 395 HG2 GLU 52 HG1 GLU 52 -3.395 27.702 -4.604 396 HG3 GLU 52 HG2 GLU 52 -4.935 26.890 -4.381 397 H VAL 53 H VAL 53 -6.698 24.769 -4.645 398 HA VAL 53 HA VAL 53 -6.647 25.062 -7.586 399 HB VAL 53 HB VAL 53 -8.424 22.990 -6.188 400 HG11 VAL 53 HG11 VAL 53 -9.081 22.377 -8.520 401 HG12 VAL 53 HG12 VAL 53 -9.529 24.035 -8.127 402 HG13 VAL 53 HG13 VAL 53 -8.100 23.724 -9.138 403 HG21 VAL 53 HG21 VAL 53 -6.068 22.487 -8.057 404 HG22 VAL 53 HG22 VAL 53 -6.178 22.030 -6.338 405 HG23 VAL 53 HG23 VAL 53 -7.234 21.260 -7.519 406 H GLU 54 H GLU 54 -8.350 26.489 -8.170 407 HA GLU 54 HA GLU 54 -10.041 28.013 -7.905 408 HB2 GLU 54 HB1 GLU 54 -11.053 25.728 -7.095 409 HB3 GLU 54 HB2 GLU 54 -11.046 26.501 -5.500 410 HG2 GLU 54 HG1 GLU 54 -12.385 28.408 -6.709 411 HG3 GLU 54 HG2 GLU 54 -12.670 27.186 -7.963 412 H GLY 55 H GLY 55 -7.483 28.282 -6.259 413 HA2 GLY 55 HA3 GLY 55 -6.597 29.909 -4.856 414 HA3 GLY 55 HA2 GLY 55 -8.227 30.578 -4.619 415 H LYS 56 H LYS 56 -7.723 27.171 -4.010 416 HA LYS 56 HA LYS 56 -7.825 27.525 -1.092 417 HB2 LYS 56 HB1 LYS 56 -9.971 26.279 -2.857 418 HB3 LYS 56 HB2 LYS 56 -9.831 25.927 -1.114 419 HG2 LYS 56 HG1 LYS 56 -10.102 28.296 -0.587 420 HG3 LYS 56 HG2 LYS 56 -10.216 28.715 -2.304 421 HD2 LYS 56 HD1 LYS 56 -12.191 26.891 -0.896 422 HD3 LYS 56 HD2 LYS 56 -12.380 28.668 -1.105 423 HE2 LYS 56 HE1 LYS 56 -13.434 28.194 -3.001 424 HE3 LYS 56 HE2 LYS 56 -11.835 27.875 -3.680 425 HZ1 LYS 56 HZ1 LYS 56 -13.670 25.841 -2.519 426 HZ2 LYS 56 HZ2 LYS 56 -12.203 25.528 -3.258 427 HZ3 LYS 56 HZ3 LYS 56 -13.451 26.134 -4.099 428 H LYS 57 H LYS 57 -6.641 26.113 -0.134 429 HA LYS 57 HA LYS 57 -5.353 23.881 -1.304 430 HB2 LYS 57 HB1 LYS 57 -5.628 25.008 1.469 431 HB3 LYS 57 HB2 LYS 57 -4.886 23.398 1.246 432 HG2 LYS 57 HG1 LYS 57 -3.104 24.196 0.069 433 HG3 LYS 57 HG2 LYS 57 -3.945 25.601 -0.558 434 HD2 LYS 57 HD1 LYS 57 -3.078 25.313 2.328 435 HD3 LYS 57 HD2 LYS 57 -2.074 26.059 1.059 436 HE2 LYS 57 HE1 LYS 57 -4.810 27.045 1.967 437 HE3 LYS 57 HE2 LYS 57 -3.235 27.735 2.441 438 HZ1 LYS 57 HZ1 LYS 57 -4.408 27.712 -0.294 439 HZ2 LYS 57 HZ2 LYS 57 -2.915 28.094 -0.065 440 HZ3 LYS 57 HZ3 LYS 57 -4.100 29.034 0.613 441 H VAL 58 H VAL 58 -5.882 21.958 -1.598 442 HA VAL 58 HA VAL 58 -8.078 20.505 -0.240 443 HB VAL 58 HB VAL 58 -8.604 19.573 -2.488 444 HG11 VAL 58 HG11 VAL 58 -10.014 21.339 -1.468 445 HG12 VAL 58 HG12 VAL 58 -9.064 22.575 -2.318 446 HG13 VAL 58 HG13 VAL 58 -10.028 21.409 -3.238 447 HG21 VAL 58 HG21 VAL 58 -7.994 20.686 -4.553 448 HG22 VAL 58 HG22 VAL 58 -7.025 21.881 -3.680 449 HG23 VAL 58 HG23 VAL 58 -6.527 20.171 -3.711 450 H MET 59 H MET 59 -7.900 18.115 -0.866 451 HA MET 59 HA MET 59 -5.089 17.229 -1.334 452 HB2 MET 59 HB1 MET 59 -7.131 16.049 0.568 453 HB3 MET 59 HB2 MET 59 -5.714 15.143 -0.037 454 HG2 MET 59 HG1 MET 59 -4.219 16.880 0.846 455 HG3 MET 59 HG2 MET 59 -5.598 17.773 1.487 456 HE1 MET 59 HE1 MET 59 -7.352 16.667 3.084 457 HE2 MET 59 HE2 MET 59 -6.701 15.977 4.587 458 HE3 MET 59 HE3 MET 59 -6.166 17.584 4.046 459 H GLY 60 H GLY 60 -4.800 15.477 -2.603 460 HA2 GLY 60 HA3 GLY 60 -7.076 14.479 -4.229 461 HA3 GLY 60 HA2 GLY 60 -5.665 15.198 -5.039 462 H MET 61 H MET 61 -5.933 12.826 -5.927 463 HA MET 61 HA MET 61 -3.898 11.117 -4.683 464 HB2 MET 61 HB1 MET 61 -5.974 10.417 -3.602 465 HB3 MET 61 HB2 MET 61 -6.805 10.386 -5.170 466 HG2 MET 61 HG1 MET 61 -5.078 8.600 -5.808 467 HG3 MET 61 HG2 MET 61 -4.738 8.487 -4.092 468 HE1 MET 61 HE1 MET 61 -8.736 7.558 -3.164 469 HE2 MET 61 HE2 MET 61 -7.379 8.522 -2.524 470 HE3 MET 61 HE3 MET 61 -8.420 9.175 -3.818 471 H ARG 62 H ARG 62 -2.946 9.745 -6.246 472 HA ARG 62 HA ARG 62 -4.154 9.395 -8.868 473 HB2 ARG 62 HB1 ARG 62 -2.383 10.347 -10.230 474 HB3 ARG 62 HB2 ARG 62 -3.128 11.606 -9.222 475 HG2 ARG 62 HG1 ARG 62 -1.234 11.534 -7.683 476 HG3 ARG 62 HG2 ARG 62 -0.482 10.221 -8.619 477 HD2 ARG 62 HD1 ARG 62 -0.235 11.693 -10.557 478 HD3 ARG 62 HD2 ARG 62 -1.058 13.010 -9.689 479 HE ARG 62 HE ARG 62 0.819 12.699 -7.953 480 HH11 ARG 62 HH12 ARG 62 1.537 12.360 -11.403 481 HH12 ARG 62 HH11 ARG 62 3.252 12.347 -11.086 482 HH21 ARG 62 HH22 ARG 62 2.892 12.364 -7.645 483 HH22 ARG 62 HH21 ARG 62 4.033 12.501 -8.948 484 HA PRO 63 HA PRO 63 -1.628 5.723 -8.541 485 HB2 PRO 63 HB1 PRO 63 -1.345 4.841 -11.087 486 HB3 PRO 63 HB2 PRO 63 -2.908 4.776 -10.215 487 HG2 PRO 63 HG1 PRO 63 -1.949 6.909 -12.149 488 HG3 PRO 63 HG2 PRO 63 -3.524 6.042 -12.155 489 HD2 PRO 63 HD1 PRO 63 -3.235 8.519 -11.028 490 HD3 PRO 63 HD2 PRO 63 -4.305 7.284 -10.300 491 H VAL 64 H VAL 64 0.530 4.984 -8.794 492 HA VAL 64 HA VAL 64 2.455 6.751 -10.203 493 HB VAL 64 HB VAL 64 3.970 6.746 -8.230 494 HG11 VAL 64 HG11 VAL 64 2.975 8.583 -7.071 495 HG12 VAL 64 HG12 VAL 64 2.573 8.716 -8.790 496 HG13 VAL 64 HG13 VAL 64 1.346 8.148 -7.629 497 HG21 VAL 64 HG21 VAL 64 3.092 4.885 -6.948 498 HG22 VAL 64 HG22 VAL 64 3.106 6.349 -5.970 499 HG23 VAL 64 HG23 VAL 64 1.574 5.758 -6.639 500 HA PRO 65 HA PRO 65 3.869 2.958 -11.530 501 HB2 PRO 65 HB1 PRO 65 6.370 3.384 -12.431 502 HB3 PRO 65 HB2 PRO 65 4.970 4.306 -13.063 503 HG2 PRO 65 HG1 PRO 65 6.942 5.161 -10.927 504 HG3 PRO 65 HG2 PRO 65 6.402 6.091 -12.369 505 HD2 PRO 65 HD1 PRO 65 5.284 6.412 -9.875 506 HD3 PRO 65 HD2 PRO 65 4.335 6.578 -11.372 507 H PHE 66 H PHE 66 5.852 4.167 -8.897 508 HA PHE 66 HA PHE 66 6.106 1.653 -7.616 509 HB2 PHE 66 HB1 PHE 66 8.494 1.235 -7.817 510 HB3 PHE 66 HB2 PHE 66 7.721 1.137 -9.397 511 HD1 PHE 66 HD1 PHE 66 10.024 3.073 -7.255 512 HD2 PHE 66 HD2 PHE 66 8.160 2.772 -11.109 513 HE1 PHE 66 HE1 PHE 66 11.441 4.911 -8.032 514 HE2 PHE 66 HE2 PHE 66 9.705 4.560 -11.979 515 HZ PHE 66 HZ PHE 66 11.335 5.639 -10.433 516 H LEU 67 H LEU 67 7.536 1.714 -5.754 517 HA LEU 67 HA LEU 67 8.323 4.435 -4.783 518 HB2 LEU 67 HB1 LEU 67 7.852 1.914 -3.126 519 HB3 LEU 67 HB2 LEU 67 8.260 3.515 -2.499 520 HG LEU 67 HG LEU 67 5.639 2.541 -3.676 521 HD11 LEU 67 HD11 LEU 67 4.762 3.180 -1.484 522 HD12 LEU 67 HD12 LEU 67 6.367 3.773 -0.989 523 HD13 LEU 67 HD13 LEU 67 6.121 2.042 -1.315 524 HD21 LEU 67 HD21 LEU 67 4.723 4.803 -3.309 525 HD22 LEU 67 HD22 LEU 67 5.968 4.826 -4.553 526 HD23 LEU 67 HD23 LEU 67 6.352 5.412 -2.920 527 H GLU 68 H GLU 68 10.324 4.525 -3.667 528 HA GLU 68 HA GLU 68 12.320 2.434 -4.404 529 HB2 GLU 68 HB1 GLU 68 12.649 4.649 -5.532 530 HB3 GLU 68 HB2 GLU 68 12.678 5.431 -3.934 531 HG2 GLU 68 HG1 GLU 68 14.923 5.268 -4.536 532 HG3 GLU 68 HG2 GLU 68 14.714 3.940 -3.405 533 H VAL 69 H VAL 69 13.656 1.726 -2.710 534 HA VAL 69 HA VAL 69 13.621 3.295 -0.227 535 HB VAL 69 HB VAL 69 13.328 0.254 -0.074 536 HG11 VAL 69 HG11 VAL 69 14.354 1.292 1.914 537 HG12 VAL 69 HG12 VAL 69 12.995 2.428 2.036 538 HG13 VAL 69 HG13 VAL 69 12.753 0.696 2.301 539 HG21 VAL 69 HG21 VAL 69 11.007 0.472 0.613 540 HG22 VAL 69 HG22 VAL 69 11.049 2.225 0.354 541 HG23 VAL 69 HG23 VAL 69 11.196 1.088 -1.012 542 HA PRO 70 HA PRO 70 17.973 2.306 -0.599 543 HB2 PRO 70 HB1 PRO 70 18.936 3.279 1.774 544 HB3 PRO 70 HB2 PRO 70 18.401 4.327 0.426 545 HG2 PRO 70 HG1 PRO 70 16.798 3.467 2.854 546 HG3 PRO 70 HG2 PRO 70 17.025 5.134 2.213 547 HD2 PRO 70 HD1 PRO 70 14.821 3.675 1.590 548 HD3 PRO 70 HD2 PRO 70 15.618 4.696 0.355 549 HA PRO 71 HA PRO 71 18.852 -1.451 1.845 550 HB2 PRO 71 HB1 PRO 71 21.505 -1.147 2.441 551 HB3 PRO 71 HB2 PRO 71 20.851 -1.676 0.861 552 HG2 PRO 71 HG1 PRO 71 21.782 1.076 1.667 553 HG3 PRO 71 HG2 PRO 71 22.114 0.175 0.135 554 HD2 PRO 71 HD1 PRO 71 20.172 2.083 0.305 555 HD3 PRO 71 HD2 PRO 71 19.994 0.619 -0.706 556 H LYS 72 H LYS 72 18.869 -2.087 3.995 557 HA LYS 72 HA LYS 72 18.636 -1.964 6.223 558 HB2 LYS 72 HB1 LYS 72 20.345 0.517 6.254 559 HB3 LYS 72 HB2 LYS 72 20.148 -0.698 7.529 560 HG2 LYS 72 HG1 LYS 72 21.572 -1.044 4.868 561 HG3 LYS 72 HG2 LYS 72 22.321 -0.893 6.470 562 HD2 LYS 72 HD1 LYS 72 21.485 -3.085 7.122 563 HD3 LYS 72 HD2 LYS 72 20.504 -3.205 5.635 564 HE2 LYS 72 HE1 LYS 72 22.531 -3.099 4.262 565 HE3 LYS 72 HE2 LYS 72 23.552 -3.005 5.697 566 HZ1 LYS 72 HZ1 LYS 72 21.773 -5.282 5.012 567 HZ2 LYS 72 HZ2 LYS 72 22.834 -5.227 6.276 568 HZ3 LYS 72 HZ3 LYS 72 23.387 -5.223 4.730 569 H GLY 73 H GLY 73 17.390 0.447 4.344 570 HA2 GLY 73 HA3 GLY 73 16.111 2.098 6.375 571 HA3 GLY 73 HA2 GLY 73 15.796 2.121 4.625 572 H ARG 74 H ARG 74 13.678 2.429 6.286 573 HA ARG 74 HA ARG 74 12.315 -0.163 6.566 574 HB2 ARG 74 HB1 ARG 74 11.533 2.601 7.461 575 HB3 ARG 74 HB2 ARG 74 10.375 1.235 7.326 576 HG2 ARG 74 HG1 ARG 74 12.240 -0.033 8.709 577 HG3 ARG 74 HG2 ARG 74 12.633 1.599 9.256 578 HD2 ARG 74 HD1 ARG 74 10.613 1.910 10.322 579 HD3 ARG 74 HD2 ARG 74 9.813 0.672 9.357 580 HE ARG 74 HE ARG 74 11.388 0.307 11.797 581 HH11 ARG 74 HH12 ARG 74 10.003 -1.430 9.023 582 HH12 ARG 74 HH11 ARG 74 10.444 -2.989 9.688 583 HH21 ARG 74 HH22 ARG 74 12.007 -1.799 12.499 584 HH22 ARG 74 HH21 ARG 74 11.671 -3.149 11.450 585 H VAL 75 H VAL 75 10.732 -0.773 5.379 586 HA VAL 75 HA VAL 75 10.414 0.409 2.658 587 HB VAL 75 HB VAL 75 10.122 -2.431 3.722 588 HG11 VAL 75 HG11 VAL 75 8.445 -2.142 1.925 589 HG12 VAL 75 HG12 VAL 75 9.680 -1.443 0.861 590 HG13 VAL 75 HG13 VAL 75 9.786 -3.141 1.365 591 HG21 VAL 75 HG21 VAL 75 12.468 -1.488 3.353 592 HG22 VAL 75 HG22 VAL 75 12.066 -2.969 2.459 593 HG23 VAL 75 HG23 VAL 75 12.070 -1.403 1.631 594 H GLU 76 H GLU 76 8.950 1.954 3.426 595 HA GLU 76 HA GLU 76 6.378 0.904 4.486 596 HB2 GLU 76 HB1 GLU 76 6.475 2.766 6.150 597 HB3 GLU 76 HB2 GLU 76 7.574 1.388 6.414 598 HG2 GLU 76 HG1 GLU 76 9.476 2.643 5.802 599 HG3 GLU 76 HG2 GLU 76 8.515 3.946 5.099 600 H LEU 77 H LEU 77 4.668 1.684 3.843 601 HA LEU 77 HA LEU 77 4.428 3.915 1.947 602 HB2 LEU 77 HB1 LEU 77 2.723 1.754 3.138 603 HB3 LEU 77 HB2 LEU 77 1.895 3.237 2.622 604 HG LEU 77 HG LEU 77 2.667 2.962 0.351 605 HD11 LEU 77 HD11 LEU 77 4.880 1.919 0.658 606 HD12 LEU 77 HD12 LEU 77 3.878 0.934 -0.432 607 HD13 LEU 77 HD13 LEU 77 4.131 0.445 1.251 608 HD21 LEU 77 HD21 LEU 77 1.355 1.050 -0.251 609 HD22 LEU 77 HD22 LEU 77 0.650 1.702 1.240 610 HD23 LEU 77 HD23 LEU 77 1.653 0.253 1.312 611 H LYS 78 H LYS 78 2.628 5.572 2.578 612 HA LYS 78 HA LYS 78 3.420 6.686 5.261 613 HB2 LYS 78 HB1 LYS 78 2.658 7.893 2.626 614 HB3 LYS 78 HB2 LYS 78 2.356 8.802 4.120 615 HG2 LYS 78 HG1 LYS 78 4.480 9.219 2.712 616 HG3 LYS 78 HG2 LYS 78 4.554 9.259 4.473 617 HD2 LYS 78 HD1 LYS 78 5.293 6.708 3.049 618 HD3 LYS 78 HD2 LYS 78 6.422 8.100 3.001 619 HE2 LYS 78 HE1 LYS 78 6.982 7.943 5.174 620 HE3 LYS 78 HE2 LYS 78 5.380 7.415 5.701 621 HZ1 LYS 78 HZ1 LYS 78 7.289 5.604 4.313 622 HZ2 LYS 78 HZ2 LYS 78 5.901 5.200 5.081 623 HZ3 LYS 78 HZ3 LYS 78 7.169 5.736 5.945 624 HA PRO 79 HA PRO 79 -0.554 5.278 6.460 625 HB2 PRO 79 HB1 PRO 79 -1.098 6.805 8.697 626 HB3 PRO 79 HB2 PRO 79 0.083 5.457 8.640 627 HG2 PRO 79 HG1 PRO 79 0.636 8.419 8.314 628 HG3 PRO 79 HG2 PRO 79 1.492 7.247 9.377 629 HD2 PRO 79 HD1 PRO 79 2.506 7.900 6.961 630 HD3 PRO 79 HD2 PRO 79 2.538 6.201 7.519 631 H GLY 80 H GLY 80 -0.240 8.685 5.599 632 HA2 GLY 80 HA3 GLY 80 -3.088 8.584 4.718 633 HA3 GLY 80 HA2 GLY 80 -2.252 10.095 5.139 634 H GLY 81 H GLY 81 0.216 8.835 3.649 635 HA2 GLY 81 HA3 GLY 81 -0.347 10.173 1.097 636 HA3 GLY 81 HA2 GLY 81 1.229 9.602 1.692 637 H TYR 82 H TYR 82 2.056 7.837 0.721 638 HA TYR 82 HA TYR 82 0.741 6.685 -1.466 639 HB2 TYR 82 HB1 TYR 82 3.136 5.691 0.113 640 HB3 TYR 82 HB2 TYR 82 2.627 5.035 -1.458 641 HD1 TYR 82 HD1 TYR 82 2.610 6.470 -3.474 642 HD2 TYR 82 HD2 TYR 82 4.449 7.720 0.219 643 HE1 TYR 82 HE1 TYR 82 3.852 8.200 -4.694 644 HE2 TYR 82 HE2 TYR 82 5.696 9.493 -1.012 645 HH TYR 82 HH TYR 82 5.226 10.025 -4.518 646 H HIS 83 H HIS 83 -0.220 4.834 -1.897 647 HA HIS 83 HA HIS 83 -0.695 2.713 0.048 648 HB2 HIS 83 HB1 HIS 83 -3.067 3.017 0.304 649 HB3 HIS 83 HB2 HIS 83 -2.172 4.386 0.964 650 HD1 HIS 83 HD1 HIS 83 -2.330 6.729 -0.600 651 HD2 HIS 83 HD2 HIS 83 -4.716 3.434 -1.695 652 HE1 HIS 83 HE1 HIS 83 -3.839 7.530 -2.470 653 H PHE 84 H PHE 84 -1.522 0.865 -0.893 654 HA PHE 84 HA PHE 84 -1.798 0.838 -3.851 655 HB2 PHE 84 HB1 PHE 84 -2.058 -1.318 -1.722 656 HB3 PHE 84 HB2 PHE 84 -2.326 -1.582 -3.459 657 HD1 PHE 84 HD1 PHE 84 -0.474 -1.486 -5.071 658 HD2 PHE 84 HD2 PHE 84 0.206 -1.083 -0.831 659 HE1 PHE 84 HE1 PHE 84 1.930 -1.948 -5.409 660 HE2 PHE 84 HE2 PHE 84 2.618 -1.536 -1.175 661 HZ PHE 84 HZ PHE 84 3.485 -1.976 -3.457 662 H MET 85 H MET 85 -3.824 0.250 -4.847 663 HA MET 85 HA MET 85 -6.155 0.001 -3.013 664 HB2 MET 85 HB1 MET 85 -6.267 1.442 -5.629 665 HB3 MET 85 HB2 MET 85 -7.691 0.788 -4.758 666 HG2 MET 85 HG1 MET 85 -6.891 1.937 -2.692 667 HG3 MET 85 HG2 MET 85 -5.612 2.695 -3.659 668 HE1 MET 85 HE1 MET 85 -9.032 2.432 -2.418 669 HE2 MET 85 HE2 MET 85 -8.682 4.072 -1.800 670 HE3 MET 85 HE3 MET 85 -9.937 3.820 -3.033 671 H LEU 86 H LEU 86 -7.291 -1.683 -3.089 672 HA LEU 86 HA LEU 86 -6.389 -3.940 -4.830 673 HB2 LEU 86 HB1 LEU 86 -7.616 -3.755 -2.045 674 HB3 LEU 86 HB2 LEU 86 -7.510 -5.282 -2.968 675 HG LEU 86 HG LEU 86 -5.028 -5.063 -2.957 676 HD11 LEU 86 HD11 LEU 86 -5.556 -2.776 -0.990 677 HD12 LEU 86 HD12 LEU 86 -4.667 -2.666 -2.526 678 HD13 LEU 86 HD13 LEU 86 -3.994 -3.604 -1.202 679 HD21 LEU 86 HD21 LEU 86 -6.413 -5.106 -0.235 680 HD22 LEU 86 HD22 LEU 86 -4.808 -5.781 -0.595 681 HD23 LEU 86 HD23 LEU 86 -6.248 -6.481 -1.346 682 H LEU 87 H LEU 87 -7.872 -4.977 -6.072 683 HA LEU 87 HA LEU 87 -10.742 -4.105 -5.924 684 HB2 LEU 87 HB1 LEU 87 -8.968 -4.624 -8.345 685 HB3 LEU 87 HB2 LEU 87 -10.744 -4.425 -8.400 686 HG LEU 87 HG LEU 87 -10.224 -2.116 -7.234 687 HD11 LEU 87 HD11 LEU 87 -7.581 -2.646 -8.685 688 HD12 LEU 87 HD12 LEU 87 -7.768 -2.346 -6.948 689 HD13 LEU 87 HD13 LEU 87 -8.128 -1.065 -8.089 690 HD21 LEU 87 HD21 LEU 87 -9.684 -2.644 -10.187 691 HD22 LEU 87 HD22 LEU 87 -10.110 -1.073 -9.473 692 HD23 LEU 87 HD23 LEU 87 -11.278 -2.401 -9.435 693 H GLY 88 H GLY 88 -12.328 -5.627 -6.414 694 HA2 GLY 88 HA3 GLY 88 -13.257 -7.649 -7.058 695 HA3 GLY 88 HA2 GLY 88 -11.634 -8.346 -7.258 696 H LEU 89 H LEU 89 -10.697 -7.657 -4.644 697 HA LEU 89 HA LEU 89 -10.546 -8.231 -2.476 698 HB2 LEU 89 HB1 LEU 89 -13.164 -7.272 -3.019 699 HB3 LEU 89 HB2 LEU 89 -13.370 -8.584 -1.845 700 HG LEU 89 HG LEU 89 -13.192 -6.429 -0.741 701 HD11 LEU 89 HD11 LEU 89 -11.505 -7.032 0.905 702 HD12 LEU 89 HD12 LEU 89 -10.651 -8.060 -0.273 703 HD13 LEU 89 HD13 LEU 89 -12.254 -8.527 0.291 704 HD21 LEU 89 HD21 LEU 89 -11.801 -5.246 -2.421 705 HD22 LEU 89 HD22 LEU 89 -10.372 -6.136 -1.860 706 HD23 LEU 89 HD23 LEU 89 -11.225 -5.040 -0.760 707 H LYS 90 H LYS 90 -12.507 -10.402 -4.116 708 HA LYS 90 HA LYS 90 -12.712 -12.698 -4.207 709 HB2 LYS 90 HB1 LYS 90 -10.348 -12.811 -2.351 710 HB3 LYS 90 HB2 LYS 90 -10.991 -14.158 -3.311 711 HG2 LYS 90 HG1 LYS 90 -9.816 -11.611 -4.489 712 HG3 LYS 90 HG2 LYS 90 -8.940 -13.148 -4.228 713 HD2 LYS 90 HD1 LYS 90 -10.589 -14.290 -5.712 714 HD3 LYS 90 HD2 LYS 90 -11.290 -12.701 -6.084 715 HE2 LYS 90 HE1 LYS 90 -9.139 -11.936 -6.979 716 HE3 LYS 90 HE2 LYS 90 -8.362 -13.459 -6.544 717 HZ1 LYS 90 HZ1 LYS 90 -9.043 -13.300 -8.909 718 HZ2 LYS 90 HZ2 LYS 90 -10.531 -13.054 -8.536 719 HZ3 LYS 90 HZ3 LYS 90 -9.865 -14.547 -8.185 720 H ARG 91 H ARG 91 -12.719 -11.276 -1.086 721 HA ARG 91 HA ARG 91 -14.515 -13.382 0.045 722 HB2 ARG 91 HB1 ARG 91 -12.016 -12.197 1.312 723 HB3 ARG 91 HB2 ARG 91 -13.177 -13.214 2.180 724 HG2 ARG 91 HG1 ARG 91 -11.407 -14.044 -0.137 725 HG3 ARG 91 HG2 ARG 91 -11.174 -14.467 1.571 726 HD2 ARG 91 HD1 ARG 91 -13.448 -15.373 -0.229 727 HD3 ARG 91 HD2 ARG 91 -12.064 -16.351 0.318 728 HE ARG 91 HE ARG 91 -13.179 -15.551 2.669 729 HH11 ARG 91 HH12 ARG 91 -14.603 -17.077 -0.175 730 HH12 ARG 91 HH11 ARG 91 -15.826 -17.906 0.740 731 HH21 ARG 91 HH22 ARG 91 -14.820 -16.584 3.810 732 HH22 ARG 91 HH21 ARG 91 -15.939 -17.632 2.989 733 HA PRO 92 HA PRO 92 -16.198 -9.693 2.254 734 HB2 PRO 92 HB1 PRO 92 -18.010 -10.909 3.841 735 HB3 PRO 92 HB2 PRO 92 -18.297 -10.754 2.081 736 HG2 PRO 92 HG1 PRO 92 -17.214 -13.151 3.588 737 HG3 PRO 92 HG2 PRO 92 -18.509 -13.117 2.338 738 HD2 PRO 92 HD1 PRO 92 -15.854 -13.731 1.802 739 HD3 PRO 92 HD2 PRO 92 -16.943 -12.966 0.608 740 H LEU 93 H LEU 93 -15.940 -8.963 4.507 741 HA LEU 93 HA LEU 93 -14.522 -10.456 6.482 742 HB2 LEU 93 HB1 LEU 93 -12.492 -8.949 6.253 743 HB3 LEU 93 HB2 LEU 93 -12.630 -10.356 5.175 744 HG LEU 93 HG LEU 93 -13.219 -8.843 3.303 745 HD11 LEU 93 HD11 LEU 93 -12.759 -6.615 5.341 746 HD12 LEU 93 HD12 LEU 93 -14.228 -6.912 4.376 747 HD13 LEU 93 HD13 LEU 93 -12.753 -6.376 3.579 748 HD21 LEU 93 HD21 LEU 93 -10.662 -8.121 4.801 749 HD22 LEU 93 HD22 LEU 93 -10.952 -7.886 3.065 750 HD23 LEU 93 HD23 LEU 93 -10.890 -9.522 3.733 751 H LYS 94 H LYS 94 -14.015 -9.117 8.230 752 HA LYS 94 HA LYS 94 -15.392 -6.473 8.343 753 HB2 LYS 94 HB1 LYS 94 -15.093 -7.215 10.984 754 HB3 LYS 94 HB2 LYS 94 -16.590 -7.158 10.010 755 HG2 LYS 94 HG1 LYS 94 -16.588 -9.188 11.228 756 HG3 LYS 94 HG2 LYS 94 -16.317 -9.577 9.521 757 HD2 LYS 94 HD1 LYS 94 -14.720 -10.913 10.509 758 HD3 LYS 94 HD2 LYS 94 -13.777 -9.428 10.239 759 HE2 LYS 94 HE1 LYS 94 -14.509 -8.820 12.677 760 HE3 LYS 94 HE2 LYS 94 -14.878 -10.553 12.812 761 HZ1 LYS 94 HZ1 LYS 94 -12.525 -10.877 11.915 762 HZ2 LYS 94 HZ2 LYS 94 -12.561 -10.234 13.442 763 HZ3 LYS 94 HZ3 LYS 94 -12.292 -9.298 12.125 764 H ALA 95 H ALA 95 -14.315 -5.285 10.464 765 HA ALA 95 HA ALA 95 -11.439 -4.942 10.101 766 HB1 ALA 95 HB1 ALA 95 -12.913 -3.103 10.926 767 HB2 ALA 95 HB2 ALA 95 -13.364 -4.107 12.327 768 HB3 ALA 95 HB3 ALA 95 -11.695 -3.552 12.123 769 H GLY 96 H GLY 96 -10.211 -5.324 12.216 770 HA2 GLY 96 HA3 GLY 96 -9.089 -6.874 13.492 771 HA3 GLY 96 HA2 GLY 96 -10.719 -7.382 13.991 772 H GLU 97 H GLU 97 -9.300 -7.731 10.759 773 HA GLU 97 HA GLU 97 -9.160 -10.718 11.078 774 HB2 GLU 97 HB1 GLU 97 -9.137 -9.292 8.433 775 HB3 GLU 97 HB2 GLU 97 -9.387 -11.010 8.729 776 HG2 GLU 97 HG1 GLU 97 -11.410 -8.954 9.618 777 HG3 GLU 97 HG2 GLU 97 -11.313 -9.532 7.933 778 H GLU 98 H GLU 98 -7.331 -11.393 9.187 779 HA GLU 98 HA GLU 98 -5.131 -9.569 9.107 780 HB2 GLU 98 HB1 GLU 98 -3.489 -11.274 9.674 781 HB3 GLU 98 HB2 GLU 98 -4.537 -10.909 11.061 782 HG2 GLU 98 HG1 GLU 98 -5.839 -12.990 10.555 783 HG3 GLU 98 HG2 GLU 98 -4.685 -13.365 9.256 784 H VAL 99 H VAL 99 -4.094 -9.805 7.347 785 HA VAL 99 HA VAL 99 -4.886 -11.666 5.143 786 HB VAL 99 HB VAL 99 -5.114 -8.625 5.212 787 HG11 VAL 99 HG11 VAL 99 -3.866 -8.987 3.173 788 HG12 VAL 99 HG12 VAL 99 -4.890 -10.370 2.729 789 HG13 VAL 99 HG13 VAL 99 -5.552 -8.717 2.734 790 HG21 VAL 99 HG21 VAL 99 -7.110 -9.968 5.802 791 HG22 VAL 99 HG22 VAL 99 -7.353 -9.082 4.290 792 HG23 VAL 99 HG23 VAL 99 -7.003 -10.826 4.253 793 H GLU 100 H GLU 100 -3.263 -12.181 3.781 794 HA GLU 100 HA GLU 100 -0.613 -10.907 4.214 795 HB2 GLU 100 HB1 GLU 100 0.323 -12.848 3.023 796 HB3 GLU 100 HB2 GLU 100 -0.436 -13.215 4.582 797 HG2 GLU 100 HG1 GLU 100 -2.304 -14.267 3.517 798 HG3 GLU 100 HG2 GLU 100 -1.850 -13.606 1.926 799 H LEU 101 H LEU 101 0.764 -10.454 2.513 800 HA LEU 101 HA LEU 101 -0.426 -9.806 -0.131 801 HB2 LEU 101 HB1 LEU 101 0.417 -7.900 1.993 802 HB3 LEU 101 HB2 LEU 101 1.115 -7.566 0.397 803 HG LEU 101 HG LEU 101 -1.794 -8.114 0.319 804 HD11 LEU 101 HD11 LEU 101 -0.814 -5.673 1.818 805 HD12 LEU 101 HD12 LEU 101 -1.814 -7.009 2.463 806 HD13 LEU 101 HD13 LEU 101 -2.471 -5.935 1.216 807 HD21 LEU 101 HD21 LEU 101 -1.808 -6.147 -1.125 808 HD22 LEU 101 HD22 LEU 101 -0.427 -7.158 -1.567 809 HD23 LEU 101 HD23 LEU 101 -0.167 -5.699 -0.601 810 H ASP 102 H ASP 102 0.874 -10.166 -1.735 811 HA ASP 102 HA ASP 102 3.741 -10.864 -1.487 812 HB2 ASP 102 HB1 ASP 102 1.962 -10.344 -3.882 813 HB3 ASP 102 HB2 ASP 102 3.544 -11.073 -3.966 814 H LEU 103 H LEU 103 5.262 -9.155 -1.523 815 HA LEU 103 HA LEU 103 4.587 -6.601 -2.876 816 HB2 LEU 103 HB1 LEU 103 6.847 -7.622 -1.130 817 HB3 LEU 103 HB2 LEU 103 6.949 -6.091 -2.041 818 HG LEU 103 HG LEU 103 5.003 -5.242 -0.840 819 HD11 LEU 103 HD11 LEU 103 3.712 -7.141 -0.146 820 HD12 LEU 103 HD12 LEU 103 4.262 -6.301 1.288 821 HD13 LEU 103 HD13 LEU 103 5.086 -7.796 0.783 822 HD21 LEU 103 HD21 LEU 103 7.168 -4.664 0.021 823 HD22 LEU 103 HD22 LEU 103 7.368 -6.264 0.786 824 HD23 LEU 103 HD23 LEU 103 6.205 -5.109 1.438 825 H LEU 104 H LEU 104 5.187 -6.231 -4.927 826 HA LEU 104 HA LEU 104 7.028 -8.127 -6.306 827 HB2 LEU 104 HB1 LEU 104 5.089 -6.038 -7.349 828 HB3 LEU 104 HB2 LEU 104 6.084 -7.054 -8.372 829 HG LEU 104 HG LEU 104 3.778 -7.888 -6.565 830 HD11 LEU 104 HD11 LEU 104 4.159 -8.050 -9.583 831 HD12 LEU 104 HD12 LEU 104 3.130 -6.889 -8.717 832 HD13 LEU 104 HD13 LEU 104 2.735 -8.610 -8.680 833 HD21 LEU 104 HD21 LEU 104 5.622 -9.707 -8.172 834 HD22 LEU 104 HD22 LEU 104 4.078 -10.204 -7.442 835 HD23 LEU 104 HD23 LEU 104 5.408 -9.696 -6.405 836 H PHE 105 H PHE 105 9.072 -7.552 -6.167 837 HA PHE 105 HA PHE 105 9.850 -4.669 -6.185 838 HB2 PHE 105 HB1 PHE 105 11.209 -7.173 -5.191 839 HB3 PHE 105 HB2 PHE 105 12.022 -5.607 -5.318 840 HD1 PHE 105 HD1 PHE 105 11.014 -3.622 -4.003 841 HD2 PHE 105 HD2 PHE 105 9.993 -7.735 -3.242 842 HE1 PHE 105 HE1 PHE 105 10.297 -3.012 -1.712 843 HE2 PHE 105 HE2 PHE 105 9.315 -7.118 -0.938 844 HZ PHE 105 HZ PHE 105 9.479 -4.776 -0.167 845 H ALA 106 H ALA 106 11.315 -3.910 -7.645 846 HA ALA 106 HA ALA 106 11.351 -5.038 -10.232 847 HB1 ALA 106 HB1 ALA 106 12.844 -3.193 -10.811 848 HB2 ALA 106 HB2 ALA 106 11.595 -2.615 -9.699 849 HB3 ALA 106 HB3 ALA 106 13.241 -2.934 -9.102 850 H GLY 107 H GLY 107 12.863 -6.042 -11.507 851 HA2 GLY 107 HA3 GLY 107 14.815 -7.090 -12.140 852 HA3 GLY 107 HA2 GLY 107 15.588 -6.463 -10.667 853 H GLY 108 H GLY 108 12.700 -8.512 -10.541 854 HA2 GLY 108 HA3 GLY 108 12.450 -10.803 -10.398 855 HA3 GLY 108 HA2 GLY 108 14.218 -10.992 -10.428 856 H LYS 109 H LYS 109 12.159 -9.205 -8.042 857 HA LYS 109 HA LYS 109 12.799 -11.275 -6.002 858 HB2 LYS 109 HB1 LYS 109 13.043 -8.254 -5.720 859 HB3 LYS 109 HB2 LYS 109 13.033 -9.400 -4.348 860 HG2 LYS 109 HG1 LYS 109 15.260 -9.227 -4.579 861 HG3 LYS 109 HG2 LYS 109 15.016 -10.513 -5.754 862 HD2 LYS 109 HD1 LYS 109 14.883 -8.662 -7.538 863 HD3 LYS 109 HD2 LYS 109 15.377 -7.518 -6.273 864 HE2 LYS 109 HE1 LYS 109 17.468 -8.752 -5.927 865 HE3 LYS 109 HE2 LYS 109 16.918 -10.037 -7.037 866 HZ1 LYS 109 HZ1 LYS 109 17.412 -7.230 -7.817 867 HZ2 LYS 109 HZ2 LYS 109 16.969 -8.463 -8.816 868 HZ3 LYS 109 HZ3 LYS 109 18.447 -8.487 -8.110 869 H VAL 110 H VAL 110 11.272 -11.640 -4.464 870 HA VAL 110 HA VAL 110 8.814 -10.064 -4.381 871 HB VAL 110 HB VAL 110 8.780 -13.061 -4.939 872 HG11 VAL 110 HG11 VAL 110 6.286 -12.853 -4.984 873 HG12 VAL 110 HG12 VAL 110 6.957 -12.575 -3.382 874 HG13 VAL 110 HG13 VAL 110 6.431 -11.193 -4.375 875 HG21 VAL 110 HG21 VAL 110 7.766 -10.734 -6.628 876 HG22 VAL 110 HG22 VAL 110 9.108 -11.834 -7.020 877 HG23 VAL 110 HG23 VAL 110 7.461 -12.452 -6.973 878 H LEU 111 H LEU 111 7.756 -10.218 -2.381 879 HA LEU 111 HA LEU 111 8.792 -12.045 -0.284 880 HB2 LEU 111 HB1 LEU 111 10.235 -10.008 -0.348 881 HB3 LEU 111 HB2 LEU 111 8.815 -9.009 -0.037 882 HG LEU 111 HG LEU 111 9.767 -11.154 1.897 883 HD11 LEU 111 HD11 LEU 111 10.559 -8.208 1.774 884 HD12 LEU 111 HD12 LEU 111 11.629 -9.598 1.490 885 HD13 LEU 111 HD13 LEU 111 10.949 -9.324 3.101 886 HD21 LEU 111 HD21 LEU 111 8.635 -9.641 3.580 887 HD22 LEU 111 HD22 LEU 111 7.513 -10.358 2.433 888 HD23 LEU 111 HD23 LEU 111 8.020 -8.666 2.227 889 H LYS 112 H LYS 112 7.000 -12.906 0.671 890 HA LYS 112 HA LYS 112 4.452 -11.421 0.480 891 HB2 LYS 112 HB1 LYS 112 4.607 -13.723 -0.366 892 HB3 LYS 112 HB2 LYS 112 4.929 -14.308 1.269 893 HG2 LYS 112 HG1 LYS 112 2.731 -13.818 1.992 894 HG3 LYS 112 HG2 LYS 112 2.466 -12.631 0.681 895 HD2 LYS 112 HD1 LYS 112 1.138 -14.561 0.212 896 HD3 LYS 112 HD2 LYS 112 2.470 -14.460 -0.968 897 HE2 LYS 112 HE1 LYS 112 2.547 -16.693 -0.517 898 HE3 LYS 112 HE2 LYS 112 3.659 -16.117 0.726 899 HZ1 LYS 112 HZ1 LYS 112 1.696 -16.160 2.280 900 HZ2 LYS 112 HZ2 LYS 112 1.940 -17.661 1.630 901 HZ3 LYS 112 HZ3 LYS 112 0.748 -16.631 1.135 902 H VAL 113 H VAL 113 3.856 -10.159 2.101 903 HA VAL 113 HA VAL 113 4.896 -10.539 4.891 904 HB VAL 113 HB VAL 113 3.810 -8.341 5.348 905 HG11 VAL 113 HG11 VAL 113 5.803 -8.237 3.056 906 HG12 VAL 113 HG12 VAL 113 5.474 -6.964 4.248 907 HG13 VAL 113 HG13 VAL 113 6.213 -8.489 4.767 908 HG21 VAL 113 HG21 VAL 113 2.098 -8.403 3.556 909 HG22 VAL 113 HG22 VAL 113 3.029 -6.893 3.587 910 HG23 VAL 113 HG23 VAL 113 3.358 -8.136 2.367 911 H VAL 114 H VAL 114 3.289 -10.161 6.690 912 HA VAL 114 HA VAL 114 0.483 -10.747 5.984 913 HB VAL 114 HB VAL 114 1.410 -12.852 6.861 914 HG11 VAL 114 HG11 VAL 114 2.022 -13.107 9.211 915 HG12 VAL 114 HG12 VAL 114 3.109 -11.951 8.428 916 HG13 VAL 114 HG13 VAL 114 1.811 -11.371 9.495 917 HG21 VAL 114 HG21 VAL 114 -0.988 -12.262 7.125 918 HG22 VAL 114 HG22 VAL 114 -0.394 -13.320 8.418 919 HG23 VAL 114 HG23 VAL 114 -0.636 -11.592 8.734 920 H LEU 115 H LEU 115 -1.012 -9.578 7.154 921 HA LEU 115 HA LEU 115 -0.204 -7.652 9.186 922 HB2 LEU 115 HB1 LEU 115 -1.007 -5.734 7.794 923 HB3 LEU 115 HB2 LEU 115 0.589 -6.358 7.412 924 HG LEU 115 HG LEU 115 -1.907 -7.118 5.810 925 HD11 LEU 115 HD11 LEU 115 -1.710 -4.662 5.828 926 HD12 LEU 115 HD12 LEU 115 -1.314 -5.307 4.244 927 HD13 LEU 115 HD13 LEU 115 -0.008 -4.780 5.320 928 HD21 LEU 115 HD21 LEU 115 -0.036 -8.531 5.217 929 HD22 LEU 115 HD22 LEU 115 1.102 -7.181 5.340 930 HD23 LEU 115 HD23 LEU 115 -0.061 -7.272 3.999 931 HA PRO 116 HA PRO 116 -4.531 -7.948 10.157 932 HB2 PRO 116 HB1 PRO 116 -5.031 -5.561 11.441 933 HB3 PRO 116 HB2 PRO 116 -4.103 -6.911 12.164 934 HG2 PRO 116 HG1 PRO 116 -3.008 -4.481 10.714 935 HG3 PRO 116 HG2 PRO 116 -2.495 -5.134 12.311 936 HD2 PRO 116 HD1 PRO 116 -1.118 -5.750 10.080 937 HD3 PRO 116 HD2 PRO 116 -1.452 -7.003 11.311 938 H VAL 117 H VAL 117 -6.582 -7.126 9.787 939 HA VAL 117 HA VAL 117 -6.900 -5.090 7.596 940 HB VAL 117 HB VAL 117 -8.935 -7.105 8.634 941 HG11 VAL 117 HG11 VAL 117 -10.050 -5.044 7.827 942 HG12 VAL 117 HG12 VAL 117 -9.158 -5.152 6.294 943 HG13 VAL 117 HG13 VAL 117 -10.345 -6.392 6.726 944 HG21 VAL 117 HG21 VAL 117 -7.435 -7.021 5.976 945 HG22 VAL 117 HG22 VAL 117 -7.185 -8.199 7.279 946 HG23 VAL 117 HG23 VAL 117 -8.720 -8.162 6.399 947 H GLU 118 H GLU 118 -7.682 -3.130 8.233 948 HA GLU 118 HA GLU 118 -9.379 -2.760 10.552 949 HB2 GLU 118 HB1 GLU 118 -6.450 -2.097 10.668 950 HB3 GLU 118 HB2 GLU 118 -7.580 -0.925 11.381 951 HG2 GLU 118 HG1 GLU 118 -7.158 -3.808 12.196 952 HG3 GLU 118 HG2 GLU 118 -6.825 -2.337 13.137 953 H ALA 119 H ALA 119 -9.672 -0.252 10.869 954 HA ALA 119 HA ALA 119 -10.626 0.552 8.227 955 HB1 ALA 119 HB1 ALA 119 -12.056 0.578 10.240 956 HB2 ALA 119 HB2 ALA 119 -11.005 1.807 10.979 957 HB3 ALA 119 HB3 ALA 119 -11.941 2.195 9.519 958 H ARG 120 H ARG 120 -10.566 2.760 7.394 959 HA ARG 120 HA ARG 120 -9.371 4.875 8.816 960 HB2 ARG 120 HB1 ARG 120 -7.314 4.486 7.739 961 HB3 ARG 120 HB2 ARG 120 -8.086 3.888 6.251 962 HG2 ARG 120 HG1 ARG 120 -8.812 6.080 5.636 963 HG3 ARG 120 HG2 ARG 120 -8.320 6.799 7.146 964 HD2 ARG 120 HD1 ARG 120 -6.517 5.439 5.123 965 HD3 ARG 120 HD2 ARG 120 -6.751 7.176 5.222 966 HE ARG 120 HE ARG 120 -4.659 6.059 6.284 967 HH11 ARG 120 HH12 ARG 120 -7.296 7.221 8.341 968 HH12 ARG 120 HH11 ARG 120 -6.251 7.292 9.721 969 HH21 ARG 120 HH22 ARG 120 -3.473 6.278 7.971 970 HH22 ARG 120 HH21 ARG 120 -4.136 6.710 9.542 Start of MODEL 31 1 H1 GLY 1 1H GLY 1 12.543 -4.008 11.689 2 H2 GLY 1 2H GLY 1 14.129 -3.767 12.070 3 H3 GLY 1 3H GLY 1 12.999 -2.569 12.245 4 HA2 GLY 1 HA3 GLY 1 12.974 -5.092 13.786 5 HA3 GLY 1 HA2 GLY 1 13.613 -3.554 14.410 6 H SER 2 H SER 2 10.854 -5.463 14.345 7 HA SER 2 HA SER 2 8.690 -3.555 14.011 8 HB2 SER 2 HB1 SER 2 8.471 -4.568 11.601 9 HB3 SER 2 HB2 SER 2 9.540 -3.168 11.873 10 HG SER 2 HG SER 2 10.817 -4.480 10.740 11 H PHE 3 H PHE 3 6.735 -4.742 13.507 12 HA PHE 3 HA PHE 3 6.853 -7.718 13.876 13 HB2 PHE 3 HB1 PHE 3 4.709 -7.591 15.071 14 HB3 PHE 3 HB2 PHE 3 6.017 -6.809 15.956 15 HD1 PHE 3 HD1 PHE 3 6.024 -4.341 16.254 16 HD2 PHE 3 HD2 PHE 3 2.813 -6.335 14.178 17 HE1 PHE 3 HE1 PHE 3 4.607 -2.322 16.501 18 HE2 PHE 3 HE2 PHE 3 1.408 -4.313 14.412 19 HZ PHE 3 HZ PHE 3 2.289 -2.305 15.591 20 H THR 4 H THR 4 5.581 -4.981 12.298 21 HA THR 4 HA THR 4 4.773 -4.995 10.056 22 HB THR 4 HB THR 4 2.704 -7.096 10.774 23 HG1 THR 4 HG1 THR 4 4.625 -8.067 10.548 24 HG21 THR 4 HG21 THR 4 1.949 -5.464 9.123 25 HG22 THR 4 HG22 THR 4 2.427 -6.908 8.241 26 HG23 THR 4 HG23 THR 4 3.510 -5.513 8.272 27 H GLU 5 H GLU 5 4.745 -3.185 11.528 28 HA GLU 5 HA GLU 5 2.278 -2.322 12.716 29 HB2 GLU 5 HB1 GLU 5 3.615 -0.109 12.717 30 HB3 GLU 5 HB2 GLU 5 4.215 -1.481 13.675 31 HG2 GLU 5 HG1 GLU 5 5.342 -1.207 10.963 32 HG3 GLU 5 HG2 GLU 5 5.791 0.030 12.158 33 H GLY 6 H GLY 6 1.177 -3.065 10.504 34 HA2 GLY 6 HA3 GLY 6 0.588 -0.615 8.934 35 HA3 GLY 6 HA2 GLY 6 1.173 -2.051 8.063 36 H TRP 7 H TRP 7 -1.350 -1.004 7.425 37 HA TRP 7 HA TRP 7 -3.073 -3.235 8.187 38 HB2 TRP 7 HB1 TRP 7 -4.788 -2.027 9.244 39 HB3 TRP 7 HB2 TRP 7 -3.288 -1.614 10.068 40 HD1 TRP 7 HD TRP 7 -6.280 -0.145 8.581 41 HE1 TRP 7 HE1 TRP 7 -6.221 2.396 8.716 42 HE3 TRP 7 3HE TRP 7 -1.312 0.455 9.619 43 HZ2 TRP 7 HZ2 TRP 7 -4.191 4.462 8.990 44 HZ3 TRP 7 HZ3 TRP 7 -0.333 2.711 9.804 45 HH2 TRP 7 HH TRP 7 -1.749 4.722 9.509 46 H VAL 8 H VAL 8 -5.287 -3.121 7.210 47 HA VAL 8 HA VAL 8 -5.220 -1.953 4.433 48 HB VAL 8 HB VAL 8 -6.523 -4.529 5.391 49 HG11 VAL 8 HG11 VAL 8 -6.872 -5.028 2.997 50 HG12 VAL 8 HG12 VAL 8 -7.725 -3.555 3.460 51 HG13 VAL 8 HG13 VAL 8 -6.195 -3.447 2.560 52 HG21 VAL 8 HG21 VAL 8 -3.950 -4.079 3.830 53 HG22 VAL 8 HG22 VAL 8 -4.141 -4.886 5.405 54 HG23 VAL 8 HG23 VAL 8 -4.773 -5.646 3.944 55 H ARG 9 H ARG 9 -7.033 -0.955 3.645 56 HA ARG 9 HA ARG 9 -8.106 0.869 5.238 57 HB2 ARG 9 HB1 ARG 9 -7.996 0.609 2.691 58 HB3 ARG 9 HB2 ARG 9 -9.616 -0.061 2.766 59 HG2 ARG 9 HG1 ARG 9 -8.699 2.782 3.290 60 HG3 ARG 9 HG2 ARG 9 -9.723 2.173 1.965 61 HD2 ARG 9 HD1 ARG 9 -11.477 1.656 3.720 62 HD3 ARG 9 HD2 ARG 9 -10.420 2.583 4.856 63 HE ARG 9 HE ARG 9 -10.775 4.529 3.771 64 HH11 ARG 9 HH12 ARG 9 -13.330 2.143 3.279 65 HH12 ARG 9 HH11 ARG 9 -14.551 3.371 3.480 66 HH21 ARG 9 HH22 ARG 9 -12.202 5.798 4.325 67 HH22 ARG 9 HH21 ARG 9 -13.911 5.513 4.084 68 H PHE 10 H PHE 10 -9.785 -2.189 5.015 69 HA PHE 10 HA PHE 10 -11.816 -2.944 5.641 70 HB2 PHE 10 HB1 PHE 10 -12.014 -2.442 7.767 71 HB3 PHE 10 HB2 PHE 10 -11.358 -0.830 7.609 72 HD1 PHE 10 HD1 PHE 10 -14.441 -2.875 7.502 73 HD2 PHE 10 HD2 PHE 10 -12.844 1.117 7.383 74 HE1 PHE 10 HE1 PHE 10 -16.725 -1.973 7.536 75 HE2 PHE 10 HE2 PHE 10 -15.141 2.036 7.566 76 HZ PHE 10 HZ PHE 10 -17.098 0.498 7.621 77 H SER 11 H SER 11 -13.712 -3.131 4.708 78 HA SER 11 HA SER 11 -15.693 -1.284 4.363 79 HB2 SER 11 HB1 SER 11 -14.354 -0.225 2.542 80 HB3 SER 11 HB2 SER 11 -14.278 -1.784 1.687 81 HG SER 11 HG SER 11 -15.933 -0.394 0.884 82 HA PRO 12 HA PRO 12 -17.592 -5.265 3.134 83 HB2 PRO 12 HB1 PRO 12 -20.145 -4.524 2.611 84 HB3 PRO 12 HB2 PRO 12 -19.486 -4.545 4.277 85 HG2 PRO 12 HG1 PRO 12 -19.689 -2.168 2.396 86 HG3 PRO 12 HG2 PRO 12 -20.265 -2.276 4.098 87 HD2 PRO 12 HD1 PRO 12 -17.834 -1.199 3.454 88 HD3 PRO 12 HD2 PRO 12 -18.059 -2.179 4.934 89 H GLY 13 H GLY 13 -16.920 -2.608 1.090 90 HA2 GLY 13 HA3 GLY 13 -18.390 -3.493 -1.258 91 HA3 GLY 13 HA2 GLY 13 -17.298 -2.096 -1.119 92 HA PRO 14 HA PRO 14 -15.498 -5.732 -3.584 93 HB2 PRO 14 HB1 PRO 14 -15.711 -4.831 -6.140 94 HB3 PRO 14 HB2 PRO 14 -17.099 -5.535 -5.266 95 HG2 PRO 14 HG1 PRO 14 -16.406 -2.600 -5.602 96 HG3 PRO 14 HG2 PRO 14 -17.988 -3.403 -5.906 97 HD2 PRO 14 HD1 PRO 14 -17.433 -2.124 -3.553 98 HD3 PRO 14 HD2 PRO 14 -18.417 -3.616 -3.602 99 H ASN 15 H ASN 15 -14.713 -2.306 -3.618 100 HA ASN 15 HA ASN 15 -11.921 -2.873 -4.343 101 HB2 ASN 15 HB1 ASN 15 -11.957 -0.523 -5.147 102 HB3 ASN 15 HB2 ASN 15 -12.931 -1.649 -6.097 103 HD21 ASN 15 HD21 ASN 15 -13.249 1.037 -6.452 104 HD22 ASN 15 HD22 ASN 15 -14.820 1.506 -5.809 105 H ALA 16 H ALA 16 -10.307 -1.706 -3.326 106 HA ALA 16 HA ALA 16 -10.797 -0.424 -0.717 107 HB1 ALA 16 HB1 ALA 16 -9.736 -2.280 0.529 108 HB2 ALA 16 HB2 ALA 16 -11.176 -2.839 -0.327 109 HB3 ALA 16 HB3 ALA 16 -9.571 -3.209 -0.978 110 H ALA 17 H ALA 17 -8.402 -0.671 0.475 111 HA ALA 17 HA ALA 17 -6.209 0.047 -1.326 112 HB1 ALA 17 HB1 ALA 17 -5.790 2.198 -0.121 113 HB2 ALA 17 HB2 ALA 17 -7.301 2.210 -1.048 114 HB3 ALA 17 HB3 ALA 17 -7.338 2.014 0.717 115 H ALA 18 H ALA 18 -4.111 0.127 -0.008 116 HA ALA 18 HA ALA 18 -4.292 -1.051 2.720 117 HB1 ALA 18 HB1 ALA 18 -2.765 -2.880 2.145 118 HB2 ALA 18 HB2 ALA 18 -4.256 -2.982 1.190 119 HB3 ALA 18 HB3 ALA 18 -2.759 -2.374 0.450 120 H TYR 19 H TYR 19 -2.677 -0.673 4.086 121 HA TYR 19 HA TYR 19 -0.693 1.412 3.321 122 HB2 TYR 19 HB1 TYR 19 -2.475 1.201 5.771 123 HB3 TYR 19 HB2 TYR 19 -1.407 2.546 5.376 124 HD1 TYR 19 HD2 TYR 19 -1.910 3.836 3.162 125 HD2 TYR 19 HD1 TYR 19 -4.717 1.221 5.118 126 HE1 TYR 19 HE2 TYR 19 -3.792 4.939 1.939 127 HE2 TYR 19 HE1 TYR 19 -6.582 2.305 3.918 128 HH TYR 19 HH TYR 19 -7.183 3.903 2.388 129 H LEU 20 H LEU 20 0.635 -0.794 3.283 130 HA LEU 20 HA LEU 20 1.437 -1.684 5.955 131 HB2 LEU 20 HB1 LEU 20 2.679 -3.380 4.963 132 HB3 LEU 20 HB2 LEU 20 1.167 -3.228 4.045 133 HG LEU 20 HG LEU 20 2.630 -1.820 2.381 134 HD11 LEU 20 HD11 LEU 20 4.972 -2.698 2.207 135 HD12 LEU 20 HD12 LEU 20 4.794 -3.447 3.807 136 HD13 LEU 20 HD13 LEU 20 4.756 -1.682 3.616 137 HD21 LEU 20 HD21 LEU 20 2.859 -4.837 2.703 138 HD22 LEU 20 HD22 LEU 20 3.260 -3.937 1.222 139 HD23 LEU 20 HD23 LEU 20 1.596 -3.935 1.831 140 H THR 21 H THR 21 3.595 -1.821 6.743 141 HA THR 21 HA THR 21 5.077 0.706 6.443 142 HB THR 21 HB THR 21 6.224 -0.911 8.511 143 HG1 THR 21 HG1 THR 21 3.688 -0.880 9.294 144 HG21 THR 21 HG21 THR 21 4.212 1.369 8.475 145 HG22 THR 21 HG22 THR 21 5.979 1.423 8.743 146 HG23 THR 21 HG23 THR 21 4.927 0.733 9.960 147 H LEU 22 H LEU 22 6.428 0.675 4.697 148 HA LEU 22 HA LEU 22 7.905 -1.794 4.082 149 HB2 LEU 22 HB1 LEU 22 6.990 0.065 2.435 150 HB3 LEU 22 HB2 LEU 22 8.586 0.786 2.726 151 HG LEU 22 HG LEU 22 8.818 -0.379 0.757 152 HD11 LEU 22 HD11 LEU 22 9.855 -2.429 2.755 153 HD12 LEU 22 HD12 LEU 22 10.667 -0.887 2.394 154 HD13 LEU 22 HD13 LEU 22 10.455 -2.100 1.125 155 HD21 LEU 22 HD21 LEU 22 6.722 -1.655 0.855 156 HD22 LEU 22 HD22 LEU 22 7.472 -2.807 1.989 157 HD23 LEU 22 HD23 LEU 22 8.078 -2.654 0.324 158 H GLU 23 H GLU 23 9.580 -2.340 5.146 159 HA GLU 23 HA GLU 23 11.626 -0.377 6.071 160 HB2 GLU 23 HB1 GLU 23 10.322 -1.323 7.975 161 HB3 GLU 23 HB2 GLU 23 10.767 -2.956 7.458 162 HG2 GLU 23 HG1 GLU 23 13.150 -2.427 7.839 163 HG3 GLU 23 HG2 GLU 23 12.726 -0.773 8.313 164 H ASN 24 H ASN 24 13.543 -0.744 5.122 165 HA ASN 24 HA ASN 24 13.939 -3.168 3.462 166 HB2 ASN 24 HB1 ASN 24 14.253 -0.866 2.587 167 HB3 ASN 24 HB2 ASN 24 15.563 -0.618 3.749 168 HD21 ASN 24 HD21 ASN 24 15.999 -0.339 0.992 169 HD22 ASN 24 HD22 ASN 24 17.086 -1.649 0.515 170 HA PRO 25 HA PRO 25 16.442 -4.616 6.958 171 HB2 PRO 25 HB1 PRO 25 17.042 -7.143 6.048 172 HB3 PRO 25 HB2 PRO 25 15.421 -6.706 6.668 173 HG2 PRO 25 HG1 PRO 25 16.352 -6.722 3.778 174 HG3 PRO 25 HG2 PRO 25 14.892 -7.518 4.457 175 HD2 PRO 25 HD1 PRO 25 14.750 -5.079 3.276 176 HD3 PRO 25 HD2 PRO 25 13.805 -5.424 4.751 177 H GLY 26 H GLY 26 17.450 -4.112 3.716 178 HA2 GLY 26 HA3 GLY 26 19.342 -3.109 2.981 179 HA3 GLY 26 HA2 GLY 26 20.052 -3.253 4.605 180 H ASP 27 H ASP 27 20.382 -4.045 1.539 181 HA ASP 27 HA ASP 27 21.607 -6.672 1.359 182 HB2 ASP 27 HB1 ASP 27 19.488 -7.358 2.229 183 HB3 ASP 27 HB2 ASP 27 18.609 -6.108 1.323 184 H LEU 28 H LEU 28 19.421 -4.173 0.039 185 HA LEU 28 HA LEU 28 21.292 -3.122 -1.834 186 HB2 LEU 28 HB1 LEU 28 19.945 -3.555 -3.765 187 HB3 LEU 28 HB2 LEU 28 20.335 -5.076 -2.964 188 HG LEU 28 HG LEU 28 17.660 -3.717 -2.509 189 HD11 LEU 28 HD11 LEU 28 17.995 -3.847 -4.979 190 HD12 LEU 28 HD12 LEU 28 16.727 -4.953 -4.437 191 HD13 LEU 28 HD13 LEU 28 18.341 -5.584 -4.833 192 HD21 LEU 28 HD21 LEU 28 17.926 -5.582 -1.080 193 HD22 LEU 28 HD22 LEU 28 18.607 -6.587 -2.383 194 HD23 LEU 28 HD23 LEU 28 16.890 -6.143 -2.385 195 HA PRO 29 HA PRO 29 17.915 -0.000 -1.108 196 HB2 PRO 29 HB1 PRO 29 17.817 1.519 -3.345 197 HB3 PRO 29 HB2 PRO 29 19.096 1.666 -2.111 198 HG2 PRO 29 HG1 PRO 29 19.189 0.379 -4.814 199 HG3 PRO 29 HG2 PRO 29 20.526 1.178 -3.934 200 HD2 PRO 29 HD1 PRO 29 19.889 -1.634 -4.126 201 HD3 PRO 29 HD2 PRO 29 21.174 -0.974 -3.135 202 H LEU 30 H LEU 30 15.876 -0.379 -1.311 203 HA LEU 30 HA LEU 30 15.017 -2.500 -3.208 204 HB2 LEU 30 HB1 LEU 30 13.763 -1.436 -0.667 205 HB3 LEU 30 HB2 LEU 30 12.839 -2.442 -1.796 206 HG LEU 30 HG LEU 30 15.471 -3.266 -0.602 207 HD11 LEU 30 HD11 LEU 30 12.659 -4.094 0.298 208 HD12 LEU 30 HD12 LEU 30 13.640 -2.894 1.144 209 HD13 LEU 30 HD13 LEU 30 14.193 -4.578 1.050 210 HD21 LEU 30 HD21 LEU 30 14.925 -4.561 -2.607 211 HD22 LEU 30 HD22 LEU 30 13.333 -4.951 -1.921 212 HD23 LEU 30 HD23 LEU 30 14.803 -5.558 -1.151 213 H ARG 31 H ARG 31 13.382 -2.385 -4.388 214 HA ARG 31 HA ARG 31 12.027 0.202 -4.932 215 HB2 ARG 31 HB1 ARG 31 13.930 -0.126 -6.565 216 HB3 ARG 31 HB2 ARG 31 13.052 -1.522 -7.212 217 HG2 ARG 31 HG1 ARG 31 11.213 -0.130 -7.908 218 HG3 ARG 31 HG2 ARG 31 11.813 1.256 -6.980 219 HD2 ARG 31 HD1 ARG 31 13.797 0.314 -8.928 220 HD3 ARG 31 HD2 ARG 31 12.233 0.714 -9.698 221 HE ARG 31 HE ARG 31 12.543 2.939 -9.239 222 HH11 ARG 31 HH12 ARG 31 14.989 1.247 -7.272 223 HH12 ARG 31 HH11 ARG 31 15.637 2.766 -6.697 224 HH21 ARG 31 HH22 ARG 31 13.585 4.804 -8.534 225 HH22 ARG 31 HH21 ARG 31 14.813 4.665 -7.312 226 H LEU 32 H LEU 32 10.089 -0.280 -4.262 227 HA LEU 32 HA LEU 32 8.811 -2.926 -4.651 228 HB2 LEU 32 HB1 LEU 32 8.660 -1.789 -2.518 229 HB3 LEU 32 HB2 LEU 32 8.029 -0.322 -3.269 230 HG LEU 32 HG LEU 32 6.383 -1.642 -2.017 231 HD11 LEU 32 HD11 LEU 32 5.797 -0.141 -4.019 232 HD12 LEU 32 HD12 LEU 32 4.580 -1.260 -3.450 233 HD13 LEU 32 HD13 LEU 32 5.494 -1.655 -4.908 234 HD21 LEU 32 HD21 LEU 32 5.517 -3.767 -2.823 235 HD22 LEU 32 HD22 LEU 32 7.260 -3.896 -2.532 236 HD23 LEU 32 HD23 LEU 32 6.647 -3.749 -4.190 237 H VAL 33 H VAL 33 8.047 -3.268 -6.612 238 HA VAL 33 HA VAL 33 7.223 -0.937 -8.347 239 HB VAL 33 HB VAL 33 7.550 -2.437 -10.275 240 HG11 VAL 33 HG11 VAL 33 9.422 -1.001 -9.557 241 HG12 VAL 33 HG12 VAL 33 10.020 -2.290 -8.493 242 HG13 VAL 33 HG13 VAL 33 10.006 -2.514 -10.249 243 HG21 VAL 33 HG21 VAL 33 8.809 -4.474 -8.389 244 HG22 VAL 33 HG22 VAL 33 7.217 -4.676 -9.160 245 HG23 VAL 33 HG23 VAL 33 8.675 -4.573 -10.144 246 H GLY 34 H GLY 34 6.047 -3.823 -6.753 247 HA2 GLY 34 HA3 GLY 34 3.330 -3.394 -7.701 248 HA3 GLY 34 HA2 GLY 34 4.089 -4.899 -8.268 249 H ALA 35 H ALA 35 1.947 -5.429 -6.991 250 HA ALA 35 HA ALA 35 2.896 -6.835 -4.670 251 HB1 ALA 35 HB1 ALA 35 1.148 -5.973 -3.090 252 HB2 ALA 35 HB2 ALA 35 2.362 -4.796 -3.540 253 HB3 ALA 35 HB3 ALA 35 0.750 -4.715 -4.286 254 H ARG 36 H ARG 36 0.826 -7.901 -3.569 255 HA ARG 36 HA ARG 36 -1.068 -9.103 -5.493 256 HB2 ARG 36 HB1 ARG 36 1.507 -10.072 -5.048 257 HB3 ARG 36 HB2 ARG 36 0.541 -10.981 -3.868 258 HG2 ARG 36 HG1 ARG 36 -0.817 -11.912 -5.711 259 HG3 ARG 36 HG2 ARG 36 0.187 -10.984 -6.865 260 HD2 ARG 36 HD1 ARG 36 2.233 -11.998 -5.750 261 HD3 ARG 36 HD2 ARG 36 1.166 -13.067 -4.835 262 HE ARG 36 HE ARG 36 0.492 -13.500 -7.487 263 HH11 ARG 36 HH12 ARG 36 3.471 -13.702 -5.529 264 HH12 ARG 36 HH11 ARG 36 4.245 -14.791 -6.632 265 HH21 ARG 36 HH22 ARG 36 1.501 -14.983 -8.825 266 HH22 ARG 36 HH21 ARG 36 3.123 -15.540 -8.483 267 H THR 37 H THR 37 -2.586 -10.555 -4.183 268 HA THR 37 HA THR 37 -2.159 -10.995 -1.387 269 HB THR 37 HB THR 37 -2.871 -8.906 -0.826 270 HG1 THR 37 HG1 THR 37 -4.046 -9.931 0.423 271 HG21 THR 37 HG21 THR 37 -5.063 -7.893 -1.706 272 HG22 THR 37 HG22 THR 37 -4.950 -9.100 -3.012 273 HG23 THR 37 HG23 THR 37 -3.686 -7.869 -2.812 274 HA PRO 38 HA PRO 38 -5.071 -14.231 -2.509 275 HB2 PRO 38 HB1 PRO 38 -6.078 -14.965 -0.071 276 HB3 PRO 38 HB2 PRO 38 -4.422 -15.347 -0.655 277 HG2 PRO 38 HG1 PRO 38 -5.233 -13.096 1.178 278 HG3 PRO 38 HG2 PRO 38 -3.916 -14.299 1.416 279 HD2 PRO 38 HD1 PRO 38 -3.462 -11.827 0.356 280 HD3 PRO 38 HD2 PRO 38 -2.550 -13.229 -0.228 281 H VAL 39 H VAL 39 -5.903 -11.214 -1.136 282 HA VAL 39 HA VAL 39 -8.740 -11.566 -2.031 283 HB VAL 39 HB VAL 39 -9.532 -10.149 -0.214 284 HG11 VAL 39 HG11 VAL 39 -9.587 -12.601 0.011 285 HG12 VAL 39 HG12 VAL 39 -7.993 -12.581 0.786 286 HG13 VAL 39 HG13 VAL 39 -9.361 -11.808 1.578 287 HG21 VAL 39 HG21 VAL 39 -6.772 -10.456 1.053 288 HG22 VAL 39 HG22 VAL 39 -7.352 -8.936 0.345 289 HG23 VAL 39 HG23 VAL 39 -8.179 -9.631 1.745 290 H ALA 40 H ALA 40 -6.932 -10.651 -3.848 291 HA ALA 40 HA ALA 40 -8.683 -8.583 -4.790 292 HB1 ALA 40 HB1 ALA 40 -5.785 -7.661 -4.590 293 HB2 ALA 40 HB2 ALA 40 -7.175 -6.773 -5.209 294 HB3 ALA 40 HB3 ALA 40 -7.062 -7.117 -3.478 295 H GLU 41 H GLU 41 -9.019 -9.252 -6.836 296 HA GLU 41 HA GLU 41 -7.175 -10.873 -8.331 297 HB2 GLU 41 HB1 GLU 41 -9.816 -10.459 -8.483 298 HB3 GLU 41 HB2 GLU 41 -9.333 -9.246 -9.683 299 HG2 GLU 41 HG1 GLU 41 -9.743 -11.242 -10.921 300 HG3 GLU 41 HG2 GLU 41 -7.980 -11.138 -10.813 301 H ARG 42 H ARG 42 -7.491 -7.391 -8.040 302 HA ARG 42 HA ARG 42 -5.104 -7.069 -9.742 303 HB2 ARG 42 HB1 ARG 42 -7.624 -5.390 -10.058 304 HB3 ARG 42 HB2 ARG 42 -6.044 -5.030 -10.800 305 HG2 ARG 42 HG1 ARG 42 -6.149 -7.232 -11.976 306 HG3 ARG 42 HG2 ARG 42 -7.791 -7.469 -11.328 307 HD2 ARG 42 HD1 ARG 42 -8.511 -5.382 -12.491 308 HD3 ARG 42 HD2 ARG 42 -6.895 -5.277 -13.223 309 HE ARG 42 HE ARG 42 -7.904 -7.888 -13.633 310 HH11 ARG 42 HH12 ARG 42 -8.527 -4.634 -14.885 311 HH12 ARG 42 HH11 ARG 42 -9.287 -5.239 -16.324 312 HH21 ARG 42 HH22 ARG 42 -8.880 -8.596 -15.514 313 HH22 ARG 42 HH21 ARG 42 -9.486 -7.463 -16.680 314 H VAL 43 H VAL 43 -3.763 -5.555 -9.057 315 HA VAL 43 HA VAL 43 -4.515 -3.795 -6.804 316 HB VAL 43 HB VAL 43 -2.994 -5.682 -6.117 317 HG11 VAL 43 HG11 VAL 43 -0.608 -5.504 -6.601 318 HG12 VAL 43 HG12 VAL 43 -1.527 -5.838 -8.085 319 HG13 VAL 43 HG13 VAL 43 -0.878 -4.211 -7.752 320 HG21 VAL 43 HG21 VAL 43 -1.572 -4.354 -4.692 321 HG22 VAL 43 HG22 VAL 43 -1.772 -2.931 -5.723 322 HG23 VAL 43 HG23 VAL 43 -3.160 -3.587 -4.816 323 H GLU 44 H GLU 44 -3.738 -1.702 -6.953 324 HA GLU 44 HA GLU 44 -2.032 -0.869 -9.272 325 HB2 GLU 44 HB1 GLU 44 -3.983 0.843 -7.694 326 HB3 GLU 44 HB2 GLU 44 -2.937 1.387 -9.022 327 HG2 GLU 44 HG1 GLU 44 -4.242 0.107 -10.627 328 HG3 GLU 44 HG2 GLU 44 -5.202 -0.594 -9.309 329 H LEU 45 H LEU 45 -0.542 0.829 -8.691 330 HA LEU 45 HA LEU 45 0.041 1.070 -5.760 331 HB2 LEU 45 HB1 LEU 45 1.833 -0.145 -6.871 332 HB3 LEU 45 HB2 LEU 45 1.971 1.133 -8.105 333 HG LEU 45 HG LEU 45 2.653 2.739 -6.324 334 HD11 LEU 45 HD11 LEU 45 1.609 1.658 -4.327 335 HD12 LEU 45 HD12 LEU 45 3.335 1.954 -4.115 336 HD13 LEU 45 HD13 LEU 45 2.774 0.319 -4.489 337 HD21 LEU 45 HD21 LEU 45 4.305 1.462 -7.656 338 HD22 LEU 45 HD22 LEU 45 4.278 0.165 -6.440 339 HD23 LEU 45 HD23 LEU 45 4.899 1.776 -6.012 340 H HIS 46 H HIS 46 -0.451 2.970 -4.958 341 HA HIS 46 HA HIS 46 -0.519 5.372 -6.734 342 HB2 HIS 46 HB1 HIS 46 -2.324 4.450 -4.473 343 HB3 HIS 46 HB2 HIS 46 -2.397 6.081 -5.164 344 HD2 HIS 46 HD2 HIS 46 -2.141 3.937 -8.144 345 HE1 HIS 46 HE1 HIS 46 -6.256 3.822 -7.161 346 HE2 HIS 46 HE2 HIS 46 -4.569 3.418 -9.022 347 H GLU 47 H GLU 47 -0.367 7.351 -5.798 348 HA GLU 47 HA GLU 47 0.620 7.572 -3.004 349 HB2 GLU 47 HB1 GLU 47 1.958 9.338 -3.436 350 HB3 GLU 47 HB2 GLU 47 2.240 8.236 -4.800 351 HG2 GLU 47 HG1 GLU 47 1.477 9.732 -6.340 352 HG3 GLU 47 HG2 GLU 47 0.284 10.455 -5.240 353 H THR 48 H THR 48 0.249 10.069 -2.341 354 HA THR 48 HA THR 48 -2.383 11.103 -2.998 355 HB THR 48 HB THR 48 -1.901 9.763 -0.333 356 HG1 THR 48 HG1 THR 48 -2.888 9.008 -2.505 357 HG21 THR 48 HG21 THR 48 -2.954 11.914 0.222 358 HG22 THR 48 HG22 THR 48 -4.118 10.592 0.383 359 HG23 THR 48 HG23 THR 48 -4.182 11.654 -1.035 360 H PHE 49 H PHE 49 -2.539 13.259 -2.412 361 HA PHE 49 HA PHE 49 -0.205 14.577 -1.120 362 HB2 PHE 49 HB1 PHE 49 0.060 15.945 -3.189 363 HB3 PHE 49 HB2 PHE 49 0.501 14.244 -3.373 364 HD1 PHE 49 HD1 PHE 49 -2.126 16.786 -4.156 365 HD2 PHE 49 HD2 PHE 49 -0.638 12.837 -4.974 366 HE1 PHE 49 HE1 PHE 49 -3.608 16.642 -6.123 367 HE2 PHE 49 HE2 PHE 49 -2.043 12.712 -6.973 368 HZ PHE 49 HZ PHE 49 -3.528 14.630 -7.601 369 H MET 50 H MET 50 -0.438 17.000 -1.290 370 HA MET 50 HA MET 50 -3.254 17.913 -0.816 371 HB2 MET 50 HB1 MET 50 -0.606 19.196 -0.067 372 HB3 MET 50 HB2 MET 50 -2.205 19.968 0.106 373 HG2 MET 50 HG1 MET 50 -2.876 18.000 1.555 374 HG3 MET 50 HG2 MET 50 -1.177 17.508 1.552 375 HE1 MET 50 HE1 MET 50 -1.975 17.524 4.153 376 HE2 MET 50 HE2 MET 50 -0.228 17.855 4.016 377 HE3 MET 50 HE3 MET 50 -1.224 18.815 5.125 378 H ARG 51 H ARG 51 -4.071 19.632 -1.998 379 HA ARG 51 HA ARG 51 -2.545 20.824 -4.197 380 HB2 ARG 51 HB1 ARG 51 -3.810 18.418 -4.640 381 HB3 ARG 51 HB2 ARG 51 -5.044 19.556 -5.170 382 HG2 ARG 51 HG1 ARG 51 -2.247 20.059 -6.134 383 HG3 ARG 51 HG2 ARG 51 -3.049 18.600 -6.773 384 HD2 ARG 51 HD1 ARG 51 -4.885 19.888 -7.644 385 HD3 ARG 51 HD2 ARG 51 -4.240 21.358 -6.889 386 HE ARG 51 HE ARG 51 -2.485 19.958 -8.787 387 HH11 ARG 51 HH12 ARG 51 -4.746 22.682 -8.355 388 HH12 ARG 51 HH11 ARG 51 -4.175 23.488 -9.776 389 HH21 ARG 51 HH22 ARG 51 -1.777 21.101 -10.608 390 HH22 ARG 51 HH21 ARG 51 -2.524 22.609 -11.030 391 H GLU 52 H GLU 52 -3.679 22.688 -5.175 392 HA GLU 52 HA GLU 52 -6.060 23.663 -3.733 393 HB2 GLU 52 HB1 GLU 52 -3.906 24.982 -3.941 394 HB3 GLU 52 HB2 GLU 52 -4.107 24.937 -5.707 395 HG2 GLU 52 HG1 GLU 52 -4.979 27.002 -5.129 396 HG3 GLU 52 HG2 GLU 52 -6.436 26.038 -5.245 397 H VAL 53 H VAL 53 -8.006 23.791 -4.824 398 HA VAL 53 HA VAL 53 -7.899 24.045 -7.798 399 HB VAL 53 HB VAL 53 -9.970 22.373 -6.293 400 HG11 VAL 53 HG11 VAL 53 -9.745 23.097 -9.255 401 HG12 VAL 53 HG12 VAL 53 -10.897 21.931 -8.571 402 HG13 VAL 53 HG13 VAL 53 -11.017 23.639 -8.137 403 HG21 VAL 53 HG21 VAL 53 -7.887 21.095 -6.633 404 HG22 VAL 53 HG22 VAL 53 -9.148 20.496 -7.713 405 HG23 VAL 53 HG23 VAL 53 -7.866 21.548 -8.350 406 H GLU 54 H GLU 54 -8.644 26.019 -8.220 407 HA GLU 54 HA GLU 54 -9.746 27.998 -8.110 408 HB2 GLU 54 HB1 GLU 54 -11.578 26.148 -8.258 409 HB3 GLU 54 HB2 GLU 54 -11.941 26.615 -6.587 410 HG2 GLU 54 HG1 GLU 54 -11.862 29.069 -7.871 411 HG3 GLU 54 HG2 GLU 54 -12.456 28.034 -9.180 412 H GLY 55 H GLY 55 -7.895 27.580 -5.891 413 HA2 GLY 55 HA3 GLY 55 -7.253 28.810 -4.018 414 HA3 GLY 55 HA2 GLY 55 -8.824 29.643 -4.041 415 H LYS 56 H LYS 56 -9.201 26.265 -4.111 416 HA LYS 56 HA LYS 56 -9.839 26.146 -1.218 417 HB2 LYS 56 HB1 LYS 56 -11.477 25.417 -3.621 418 HB3 LYS 56 HB2 LYS 56 -11.654 24.458 -2.131 419 HG2 LYS 56 HG1 LYS 56 -12.518 26.208 -0.918 420 HG3 LYS 56 HG2 LYS 56 -11.719 27.462 -1.877 421 HD2 LYS 56 HD1 LYS 56 -13.923 25.773 -3.088 422 HD3 LYS 56 HD2 LYS 56 -14.289 27.191 -2.063 423 HE2 LYS 56 HE1 LYS 56 -12.910 28.614 -3.517 424 HE3 LYS 56 HE2 LYS 56 -12.526 27.232 -4.560 425 HZ1 LYS 56 HZ1 LYS 56 -14.340 28.711 -5.349 426 HZ2 LYS 56 HZ2 LYS 56 -15.328 28.142 -4.152 427 HZ3 LYS 56 HZ3 LYS 56 -14.680 27.195 -5.372 428 H LYS 57 H LYS 57 -8.886 24.796 -0.212 429 HA LYS 57 HA LYS 57 -6.813 23.072 -0.987 430 HB2 LYS 57 HB1 LYS 57 -8.536 23.275 1.501 431 HB3 LYS 57 HB2 LYS 57 -7.211 22.084 1.362 432 HG2 LYS 57 HG1 LYS 57 -6.541 23.938 2.700 433 HG3 LYS 57 HG2 LYS 57 -5.563 23.856 1.244 434 HD2 LYS 57 HD1 LYS 57 -7.911 25.712 1.116 435 HD3 LYS 57 HD2 LYS 57 -6.653 26.136 2.317 436 HE2 LYS 57 HE1 LYS 57 -4.954 26.249 0.681 437 HE3 LYS 57 HE2 LYS 57 -5.955 25.416 -0.533 438 HZ1 LYS 57 HZ1 LYS 57 -6.332 28.204 0.410 439 HZ2 LYS 57 HZ2 LYS 57 -7.328 27.409 -0.656 440 HZ3 LYS 57 HZ3 LYS 57 -5.825 27.675 -1.073 441 H VAL 58 H VAL 58 -6.798 21.171 -1.819 442 HA VAL 58 HA VAL 58 -8.986 19.157 -1.492 443 HB VAL 58 HB VAL 58 -7.405 19.944 -3.982 444 HG11 VAL 58 HG11 VAL 58 -8.555 18.083 -5.184 445 HG12 VAL 58 HG12 VAL 58 -7.361 17.527 -4.020 446 HG13 VAL 58 HG13 VAL 58 -9.095 17.440 -3.618 447 HG21 VAL 58 HG21 VAL 58 -10.402 19.739 -3.434 448 HG22 VAL 58 HG22 VAL 58 -9.468 21.238 -3.609 449 HG23 VAL 58 HG23 VAL 58 -9.669 20.165 -4.995 450 H MET 59 H MET 59 -8.227 17.012 -1.362 451 HA MET 59 HA MET 59 -5.284 16.593 -1.445 452 HB2 MET 59 HB1 MET 59 -7.242 15.283 0.459 453 HB3 MET 59 HB2 MET 59 -5.656 14.568 0.037 454 HG2 MET 59 HG1 MET 59 -4.530 16.634 0.744 455 HG3 MET 59 HG2 MET 59 -6.078 17.358 1.181 456 HE1 MET 59 HE1 MET 59 -4.996 17.097 4.742 457 HE2 MET 59 HE2 MET 59 -4.703 18.020 3.253 458 HE3 MET 59 HE3 MET 59 -6.369 17.684 3.784 459 H GLY 60 H GLY 60 -4.620 15.129 -2.860 460 HA2 GLY 60 HA3 GLY 60 -6.718 13.781 -4.512 461 HA3 GLY 60 HA2 GLY 60 -5.366 14.680 -5.236 462 H MET 61 H MET 61 -5.582 12.258 -6.132 463 HA MET 61 HA MET 61 -3.381 10.642 -5.010 464 HB2 MET 61 HB1 MET 61 -5.117 9.757 -3.722 465 HB3 MET 61 HB2 MET 61 -6.310 9.940 -5.019 466 HG2 MET 61 HG1 MET 61 -5.065 8.092 -6.230 467 HG3 MET 61 HG2 MET 61 -4.188 7.802 -4.733 468 HE1 MET 61 HE1 MET 61 -7.616 8.715 -3.310 469 HE2 MET 61 HE2 MET 61 -7.635 7.125 -2.507 470 HE3 MET 61 HE3 MET 61 -6.164 8.119 -2.466 471 H ARG 62 H ARG 62 -2.327 9.498 -6.452 472 HA ARG 62 HA ARG 62 -3.316 9.110 -9.216 473 HB2 ARG 62 HB1 ARG 62 -0.879 10.682 -8.318 474 HB3 ARG 62 HB2 ARG 62 -0.981 10.019 -9.953 475 HG2 ARG 62 HG1 ARG 62 -3.018 11.945 -8.795 476 HG3 ARG 62 HG2 ARG 62 -1.554 12.438 -9.680 477 HD2 ARG 62 HD1 ARG 62 -3.261 12.503 -11.304 478 HD3 ARG 62 HD2 ARG 62 -2.457 10.960 -11.602 479 HE ARG 62 HE ARG 62 -4.647 10.720 -9.712 480 HH11 ARG 62 HH12 ARG 62 -4.102 10.951 -13.207 481 HH12 ARG 62 HH11 ARG 62 -5.565 10.089 -13.588 482 HH21 ARG 62 HH22 ARG 62 -6.475 9.622 -10.248 483 HH22 ARG 62 HH21 ARG 62 -6.913 9.349 -11.911 484 HA PRO 63 HA PRO 63 -0.878 5.405 -8.736 485 HB2 PRO 63 HB1 PRO 63 -0.545 4.544 -11.276 486 HB3 PRO 63 HB2 PRO 63 -2.149 4.524 -10.482 487 HG2 PRO 63 HG1 PRO 63 -1.025 6.648 -12.335 488 HG3 PRO 63 HG2 PRO 63 -2.633 5.840 -12.420 489 HD2 PRO 63 HD1 PRO 63 -2.272 8.295 -11.232 490 HD3 PRO 63 HD2 PRO 63 -3.454 7.103 -10.609 491 H VAL 64 H VAL 64 1.261 4.672 -8.901 492 HA VAL 64 HA VAL 64 3.244 6.537 -10.100 493 HB VAL 64 HB VAL 64 4.612 6.509 -8.062 494 HG11 VAL 64 HG11 VAL 64 3.409 8.155 -6.819 495 HG12 VAL 64 HG12 VAL 64 3.023 8.373 -8.529 496 HG13 VAL 64 HG13 VAL 64 1.845 7.591 -7.446 497 HG21 VAL 64 HG21 VAL 64 3.916 4.491 -6.939 498 HG22 VAL 64 HG22 VAL 64 3.658 5.874 -5.872 499 HG23 VAL 64 HG23 VAL 64 2.270 5.139 -6.697 500 HA PRO 65 HA PRO 65 4.835 2.901 -11.700 501 HB2 PRO 65 HB1 PRO 65 7.389 3.465 -12.356 502 HB3 PRO 65 HB2 PRO 65 6.015 4.390 -13.033 503 HG2 PRO 65 HG1 PRO 65 7.764 5.132 -10.671 504 HG3 PRO 65 HG2 PRO 65 7.325 6.156 -12.083 505 HD2 PRO 65 HD1 PRO 65 5.982 6.274 -9.695 506 HD3 PRO 65 HD2 PRO 65 5.148 6.493 -11.252 507 H PHE 66 H PHE 66 6.385 3.908 -8.791 508 HA PHE 66 HA PHE 66 6.634 1.348 -7.664 509 HB2 PHE 66 HB1 PHE 66 9.091 1.155 -7.500 510 HB3 PHE 66 HB2 PHE 66 8.513 0.957 -9.153 511 HD1 PHE 66 HD1 PHE 66 10.262 3.215 -6.804 512 HD2 PHE 66 HD2 PHE 66 9.064 2.529 -10.863 513 HE1 PHE 66 HE1 PHE 66 11.565 5.201 -7.473 514 HE2 PHE 66 HE2 PHE 66 10.525 4.440 -11.607 515 HZ PHE 66 HZ PHE 66 11.736 5.802 -9.911 516 H LEU 67 H LEU 67 7.819 1.493 -5.574 517 HA LEU 67 HA LEU 67 8.298 4.262 -4.548 518 HB2 LEU 67 HB1 LEU 67 7.747 1.815 -2.849 519 HB3 LEU 67 HB2 LEU 67 7.922 3.492 -2.304 520 HG LEU 67 HG LEU 67 5.607 2.238 -3.822 521 HD11 LEU 67 HD11 LEU 67 5.834 1.838 -1.371 522 HD12 LEU 67 HD12 LEU 67 4.377 2.762 -1.785 523 HD13 LEU 67 HD13 LEU 67 5.817 3.600 -1.116 524 HD21 LEU 67 HD21 LEU 67 5.841 4.528 -4.705 525 HD22 LEU 67 HD22 LEU 67 5.968 5.169 -3.056 526 HD23 LEU 67 HD23 LEU 67 4.453 4.423 -3.632 527 H GLU 68 H GLU 68 10.200 4.425 -3.209 528 HA GLU 68 HA GLU 68 12.208 2.260 -3.611 529 HB2 GLU 68 HB1 GLU 68 12.817 3.883 -5.243 530 HB3 GLU 68 HB2 GLU 68 12.642 5.224 -4.101 531 HG2 GLU 68 HG1 GLU 68 14.629 4.687 -2.967 532 HG3 GLU 68 HG2 GLU 68 14.595 2.988 -3.516 533 H VAL 69 H VAL 69 13.493 1.833 -1.923 534 HA VAL 69 HA VAL 69 13.520 3.701 0.352 535 HB VAL 69 HB VAL 69 13.023 0.703 0.775 536 HG11 VAL 69 HG11 VAL 69 14.184 1.753 2.678 537 HG12 VAL 69 HG12 VAL 69 12.939 3.010 2.771 538 HG13 VAL 69 HG13 VAL 69 12.537 1.316 3.125 539 HG21 VAL 69 HG21 VAL 69 10.740 1.349 1.615 540 HG22 VAL 69 HG22 VAL 69 11.002 2.961 0.933 541 HG23 VAL 69 HG23 VAL 69 10.948 1.537 -0.126 542 HA PRO 70 HA PRO 70 17.830 2.447 0.030 543 HB2 PRO 70 HB1 PRO 70 18.939 3.900 2.054 544 HB3 PRO 70 HB2 PRO 70 18.317 4.656 0.556 545 HG2 PRO 70 HG1 PRO 70 16.880 4.347 3.211 546 HG3 PRO 70 HG2 PRO 70 17.069 5.841 2.226 547 HD2 PRO 70 HD1 PRO 70 14.824 4.292 2.086 548 HD3 PRO 70 HD2 PRO 70 15.496 5.083 0.632 549 HA PRO 71 HA PRO 71 18.328 -0.967 2.776 550 HB2 PRO 71 HB1 PRO 71 21.054 -1.048 3.294 551 HB3 PRO 71 HB2 PRO 71 20.250 -1.647 1.811 552 HG2 PRO 71 HG1 PRO 71 21.692 0.939 2.211 553 HG3 PRO 71 HG2 PRO 71 21.629 -0.159 0.769 554 HD2 PRO 71 HD1 PRO 71 20.155 2.166 0.981 555 HD3 PRO 71 HD2 PRO 71 19.600 0.730 0.080 556 H LYS 72 H LYS 72 18.060 -1.452 4.905 557 HA LYS 72 HA LYS 72 17.936 -1.316 7.122 558 HB2 LYS 72 HB1 LYS 72 19.896 0.971 7.170 559 HB3 LYS 72 HB2 LYS 72 19.491 -0.158 8.474 560 HG2 LYS 72 HG1 LYS 72 21.062 -0.774 5.948 561 HG3 LYS 72 HG2 LYS 72 21.719 -0.576 7.588 562 HD2 LYS 72 HD1 LYS 72 20.620 -2.624 8.319 563 HD3 LYS 72 HD2 LYS 72 19.762 -2.744 6.762 564 HE2 LYS 72 HE1 LYS 72 22.023 -2.882 5.631 565 HE3 LYS 72 HE2 LYS 72 22.770 -2.983 7.230 566 HZ1 LYS 72 HZ1 LYS 72 21.550 -5.060 7.571 567 HZ2 LYS 72 HZ2 LYS 72 22.347 -5.177 6.125 568 HZ3 LYS 72 HZ3 LYS 72 20.755 -4.899 6.160 569 H GLY 73 H GLY 73 17.126 1.302 5.156 570 HA2 GLY 73 HA3 GLY 73 15.883 2.949 7.254 571 HA3 GLY 73 HA2 GLY 73 15.951 3.295 5.510 572 H ARG 74 H ARG 74 13.682 3.996 6.443 573 HA ARG 74 HA ARG 74 11.705 1.892 5.706 574 HB2 ARG 74 HB1 ARG 74 11.530 3.953 7.936 575 HB3 ARG 74 HB2 ARG 74 10.091 3.161 7.234 576 HG2 ARG 74 HG1 ARG 74 11.073 0.954 7.856 577 HG3 ARG 74 HG2 ARG 74 12.338 1.805 8.750 578 HD2 ARG 74 HD1 ARG 74 10.673 2.899 10.147 579 HD3 ARG 74 HD2 ARG 74 9.411 2.076 9.217 580 HE ARG 74 HE ARG 74 11.403 0.299 10.451 581 HH11 ARG 74 HH12 ARG 74 8.154 1.713 11.035 582 HH12 ARG 74 HH11 ARG 74 7.839 0.389 12.172 583 HH21 ARG 74 HH22 ARG 74 10.824 -1.155 11.861 584 HH22 ARG 74 HH21 ARG 74 9.240 -1.098 12.665 585 H VAL 75 H VAL 75 9.877 2.612 4.693 586 HA VAL 75 HA VAL 75 9.176 5.405 4.645 587 HB VAL 75 HB VAL 75 9.295 4.043 1.910 588 HG11 VAL 75 HG11 VAL 75 7.305 5.468 2.134 589 HG12 VAL 75 HG12 VAL 75 8.303 6.811 2.731 590 HG13 VAL 75 HG13 VAL 75 8.467 6.234 1.059 591 HG21 VAL 75 HG21 VAL 75 11.547 4.872 2.434 592 HG22 VAL 75 HG22 VAL 75 10.799 5.892 1.212 593 HG23 VAL 75 HG23 VAL 75 10.881 6.460 2.892 594 H GLU 76 H GLU 76 7.171 5.098 5.580 595 HA GLU 76 HA GLU 76 5.678 2.684 5.194 596 HB2 GLU 76 HB1 GLU 76 4.630 5.323 6.260 597 HB3 GLU 76 HB2 GLU 76 3.930 3.677 6.464 598 HG2 GLU 76 HG1 GLU 76 4.959 3.911 8.482 599 HG3 GLU 76 HG2 GLU 76 6.261 3.155 7.548 600 H LEU 77 H LEU 77 3.872 2.141 3.973 601 HA LEU 77 HA LEU 77 2.868 3.957 1.910 602 HB2 LEU 77 HB1 LEU 77 2.054 1.192 2.815 603 HB3 LEU 77 HB2 LEU 77 1.080 2.181 1.693 604 HG LEU 77 HG LEU 77 3.069 2.232 0.152 605 HD11 LEU 77 HD11 LEU 77 4.699 0.331 0.345 606 HD12 LEU 77 HD12 LEU 77 4.131 0.060 2.001 607 HD13 LEU 77 HD13 LEU 77 4.936 1.586 1.573 608 HD21 LEU 77 HD21 LEU 77 2.636 -0.016 -0.734 609 HD22 LEU 77 HD22 LEU 77 1.147 0.796 -0.259 610 HD23 LEU 77 HD23 LEU 77 1.824 -0.457 0.789 611 H LYS 78 H LYS 78 2.708 5.607 3.440 612 HA LYS 78 HA LYS 78 1.046 5.570 5.681 613 HB2 LYS 78 HB1 LYS 78 1.492 8.005 5.754 614 HB3 LYS 78 HB2 LYS 78 2.945 7.025 5.425 615 HG2 LYS 78 HG1 LYS 78 2.482 7.586 2.925 616 HG3 LYS 78 HG2 LYS 78 1.402 8.844 3.556 617 HD2 LYS 78 HD1 LYS 78 3.266 9.896 4.749 618 HD3 LYS 78 HD2 LYS 78 4.345 8.548 4.257 619 HE2 LYS 78 HE1 LYS 78 4.913 10.272 2.791 620 HE3 LYS 78 HE2 LYS 78 3.858 9.218 1.843 621 HZ1 LYS 78 HZ1 LYS 78 3.259 11.509 1.488 622 HZ2 LYS 78 HZ2 LYS 78 3.155 11.826 3.093 623 HZ3 LYS 78 HZ3 LYS 78 2.043 10.878 2.388 624 HA PRO 79 HA PRO 79 -3.078 6.239 4.151 625 HB2 PRO 79 HB1 PRO 79 -4.341 7.282 6.330 626 HB3 PRO 79 HB2 PRO 79 -3.765 5.586 6.262 627 HG2 PRO 79 HG1 PRO 79 -2.310 7.980 7.439 628 HG3 PRO 79 HG2 PRO 79 -2.670 6.410 8.238 629 HD2 PRO 79 HD1 PRO 79 -0.271 6.834 7.054 630 HD3 PRO 79 HD2 PRO 79 -1.104 5.263 6.850 631 H GLY 80 H GLY 80 -0.985 8.834 4.762 632 HA2 GLY 80 HA3 GLY 80 -2.752 10.649 3.200 633 HA3 GLY 80 HA2 GLY 80 -1.620 11.265 4.426 634 H GLY 81 H GLY 81 -1.348 8.734 1.854 635 HA2 GLY 81 HA3 GLY 81 0.299 10.063 0.039 636 HA3 GLY 81 HA2 GLY 81 1.378 9.379 1.275 637 H TYR 82 H TYR 82 2.248 7.492 0.697 638 HA TYR 82 HA TYR 82 1.320 6.232 -1.691 639 HB2 TYR 82 HB1 TYR 82 3.457 5.347 0.263 640 HB3 TYR 82 HB2 TYR 82 3.201 4.716 -1.381 641 HD1 TYR 82 HD1 TYR 82 3.169 6.400 -3.304 642 HD2 TYR 82 HD2 TYR 82 4.868 7.268 0.562 643 HE1 TYR 82 HE1 TYR 82 4.257 8.384 -4.243 644 HE2 TYR 82 HE2 TYR 82 5.881 9.350 -0.370 645 HH TYR 82 HH TYR 82 4.963 10.507 -3.638 646 H HIS 83 H HIS 83 0.333 4.397 -2.078 647 HA HIS 83 HA HIS 83 -0.245 2.414 -0.038 648 HB2 HIS 83 HB1 HIS 83 -2.626 2.654 0.160 649 HB3 HIS 83 HB2 HIS 83 -1.792 4.079 0.780 650 HD1 HIS 83 HD1 HIS 83 -1.891 6.298 -0.951 651 HD2 HIS 83 HD2 HIS 83 -4.304 2.960 -1.836 652 HE1 HIS 83 HE1 HIS 83 -3.510 7.023 -2.779 653 H PHE 84 H PHE 84 -1.397 0.554 -0.837 654 HA PHE 84 HA PHE 84 -1.414 0.341 -3.794 655 HB2 PHE 84 HB1 PHE 84 -2.194 -1.623 -1.612 656 HB3 PHE 84 HB2 PHE 84 -2.198 -1.960 -3.352 657 HD1 PHE 84 HD1 PHE 84 0.107 -1.377 -4.593 658 HD2 PHE 84 HD2 PHE 84 -0.307 -2.214 -0.385 659 HE1 PHE 84 HE1 PHE 84 2.468 -2.050 -4.503 660 HE2 PHE 84 HE2 PHE 84 2.076 -2.860 -0.292 661 HZ PHE 84 HZ PHE 84 3.487 -2.744 -2.307 662 H MET 85 H MET 85 -3.301 0.115 -4.953 663 HA MET 85 HA MET 85 -5.949 0.529 -3.595 664 HB2 MET 85 HB1 MET 85 -5.065 1.890 -5.786 665 HB3 MET 85 HB2 MET 85 -5.937 0.526 -6.526 666 HG2 MET 85 HG1 MET 85 -7.514 2.295 -6.207 667 HG3 MET 85 HG2 MET 85 -7.885 1.018 -5.044 668 HE1 MET 85 HE1 MET 85 -9.270 2.262 -3.294 669 HE2 MET 85 HE2 MET 85 -9.030 3.977 -2.883 670 HE3 MET 85 HE3 MET 85 -9.379 3.507 -4.568 671 H LEU 86 H LEU 86 -7.256 -1.278 -3.564 672 HA LEU 86 HA LEU 86 -6.345 -3.764 -4.991 673 HB2 LEU 86 HB1 LEU 86 -7.608 -3.266 -2.276 674 HB3 LEU 86 HB2 LEU 86 -7.710 -4.849 -3.097 675 HG LEU 86 HG LEU 86 -5.282 -5.090 -2.994 676 HD11 LEU 86 HD11 LEU 86 -4.442 -2.801 -2.980 677 HD12 LEU 86 HD12 LEU 86 -3.944 -3.594 -1.491 678 HD13 LEU 86 HD13 LEU 86 -5.300 -2.445 -1.462 679 HD21 LEU 86 HD21 LEU 86 -6.754 -5.921 -1.173 680 HD22 LEU 86 HD22 LEU 86 -6.577 -4.370 -0.325 681 HD23 LEU 86 HD23 LEU 86 -5.171 -5.438 -0.543 682 H LEU 87 H LEU 87 -7.823 -4.800 -6.242 683 HA LEU 87 HA LEU 87 -10.703 -4.032 -6.120 684 HB2 LEU 87 HB1 LEU 87 -9.053 -4.344 -8.654 685 HB3 LEU 87 HB2 LEU 87 -10.797 -3.995 -8.536 686 HG LEU 87 HG LEU 87 -9.897 -1.824 -7.240 687 HD11 LEU 87 HD11 LEU 87 -7.830 -0.946 -8.300 688 HD12 LEU 87 HD12 LEU 87 -7.594 -2.481 -9.159 689 HD13 LEU 87 HD13 LEU 87 -7.447 -2.408 -7.398 690 HD21 LEU 87 HD21 LEU 87 -9.973 -0.639 -9.420 691 HD22 LEU 87 HD22 LEU 87 -11.283 -1.818 -9.255 692 HD23 LEU 87 HD23 LEU 87 -9.864 -2.205 -10.261 693 H GLY 88 H GLY 88 -12.155 -5.678 -6.637 694 HA2 GLY 88 HA3 GLY 88 -12.924 -7.808 -7.118 695 HA3 GLY 88 HA2 GLY 88 -11.374 -8.139 -7.923 696 H LEU 89 H LEU 89 -12.014 -7.271 -4.535 697 HA LEU 89 HA LEU 89 -10.311 -9.238 -3.465 698 HB2 LEU 89 HB1 LEU 89 -11.450 -8.668 -1.269 699 HB3 LEU 89 HB2 LEU 89 -10.522 -7.434 -2.148 700 HG LEU 89 HG LEU 89 -12.650 -6.406 -2.888 701 HD11 LEU 89 HD11 LEU 89 -14.256 -8.190 -2.850 702 HD12 LEU 89 HD12 LEU 89 -14.750 -7.052 -1.599 703 HD13 LEU 89 HD13 LEU 89 -13.921 -8.552 -1.141 704 HD21 LEU 89 HD21 LEU 89 -11.402 -5.663 -0.883 705 HD22 LEU 89 HD22 LEU 89 -12.406 -6.744 0.110 706 HD23 LEU 89 HD23 LEU 89 -13.135 -5.374 -0.739 707 H LYS 90 H LYS 90 -10.583 -10.864 -2.117 708 HA LYS 90 HA LYS 90 -12.900 -12.648 -2.815 709 HB2 LYS 90 HB1 LYS 90 -10.039 -13.417 -2.198 710 HB3 LYS 90 HB2 LYS 90 -11.390 -14.534 -2.566 711 HG2 LYS 90 HG1 LYS 90 -10.683 -14.411 -4.684 712 HG3 LYS 90 HG2 LYS 90 -11.489 -12.834 -4.738 713 HD2 LYS 90 HD1 LYS 90 -9.376 -11.720 -4.202 714 HD3 LYS 90 HD2 LYS 90 -8.539 -13.278 -4.183 715 HE2 LYS 90 HE1 LYS 90 -10.005 -12.116 -6.573 716 HE3 LYS 90 HE2 LYS 90 -8.247 -12.037 -6.326 717 HZ1 LYS 90 HZ1 LYS 90 -8.843 -13.769 -7.805 718 HZ2 LYS 90 HZ2 LYS 90 -9.836 -14.488 -6.762 719 HZ3 LYS 90 HZ3 LYS 90 -8.190 -14.455 -6.478 720 H ARG 91 H ARG 91 -11.708 -10.907 -0.279 721 HA ARG 91 HA ARG 91 -13.941 -11.967 1.275 722 HB2 ARG 91 HB1 ARG 91 -11.251 -11.227 2.502 723 HB3 ARG 91 HB2 ARG 91 -12.754 -11.368 3.436 724 HG2 ARG 91 HG1 ARG 91 -11.487 -13.650 1.875 725 HG3 ARG 91 HG2 ARG 91 -11.253 -13.344 3.621 726 HD2 ARG 91 HD1 ARG 91 -13.695 -13.531 3.969 727 HD3 ARG 91 HD2 ARG 91 -13.927 -13.897 2.258 728 HE ARG 91 HE ARG 91 -12.815 -15.635 4.354 729 HH11 ARG 91 HH12 ARG 91 -13.182 -15.279 0.837 730 HH12 ARG 91 HH11 ARG 91 -13.243 -17.000 0.592 731 HH21 ARG 91 HH22 ARG 91 -12.760 -17.825 3.934 732 HH22 ARG 91 HH21 ARG 91 -12.908 -18.418 2.307 733 HA PRO 92 HA PRO 92 -14.403 -7.366 1.311 734 HB2 PRO 92 HB1 PRO 92 -16.640 -7.238 2.862 735 HB3 PRO 92 HB2 PRO 92 -16.702 -7.605 1.112 736 HG2 PRO 92 HG1 PRO 92 -16.762 -9.545 3.434 737 HG3 PRO 92 HG2 PRO 92 -17.819 -9.525 1.979 738 HD2 PRO 92 HD1 PRO 92 -15.621 -11.160 2.207 739 HD3 PRO 92 HD2 PRO 92 -16.125 -10.463 0.641 740 H LEU 93 H LEU 93 -14.155 -5.880 3.175 741 HA LEU 93 HA LEU 93 -12.181 -7.208 4.976 742 HB2 LEU 93 HB1 LEU 93 -12.375 -4.519 3.544 743 HB3 LEU 93 HB2 LEU 93 -11.060 -4.934 4.653 744 HG LEU 93 HG LEU 93 -11.668 -6.547 2.156 745 HD11 LEU 93 HD11 LEU 93 -9.823 -5.278 1.092 746 HD12 LEU 93 HD12 LEU 93 -9.738 -4.222 2.519 747 HD13 LEU 93 HD13 LEU 93 -11.201 -4.242 1.513 748 HD21 LEU 93 HD21 LEU 93 -9.166 -6.337 3.871 749 HD22 LEU 93 HD22 LEU 93 -9.355 -7.321 2.403 750 HD23 LEU 93 HD23 LEU 93 -10.294 -7.715 3.850 751 H LYS 94 H LYS 94 -13.286 -7.468 6.899 752 HA LYS 94 HA LYS 94 -14.713 -5.231 8.144 753 HB2 LYS 94 HB1 LYS 94 -14.165 -8.128 8.752 754 HB3 LYS 94 HB2 LYS 94 -14.627 -7.015 10.078 755 HG2 LYS 94 HG1 LYS 94 -16.541 -8.210 9.165 756 HG3 LYS 94 HG2 LYS 94 -16.633 -6.433 9.016 757 HD2 LYS 94 HD1 LYS 94 -17.591 -7.153 7.083 758 HD3 LYS 94 HD2 LYS 94 -15.979 -6.771 6.558 759 HE2 LYS 94 HE1 LYS 94 -17.029 -9.556 7.334 760 HE3 LYS 94 HE2 LYS 94 -16.959 -8.958 5.666 761 HZ1 LYS 94 HZ1 LYS 94 -14.521 -9.308 7.349 762 HZ2 LYS 94 HZ2 LYS 94 -14.554 -9.026 5.776 763 HZ3 LYS 94 HZ3 LYS 94 -15.054 -10.449 6.405 764 H ALA 95 H ALA 95 -14.019 -3.990 9.659 765 HA ALA 95 HA ALA 95 -11.290 -3.623 10.486 766 HB1 ALA 95 HB1 ALA 95 -13.901 -2.843 11.859 767 HB2 ALA 95 HB2 ALA 95 -12.282 -2.238 12.256 768 HB3 ALA 95 HB3 ALA 95 -12.991 -1.850 10.686 769 H GLY 96 H GLY 96 -10.155 -4.891 11.639 770 HA2 GLY 96 HA3 GLY 96 -9.612 -6.140 13.627 771 HA3 GLY 96 HA2 GLY 96 -11.297 -6.702 13.706 772 H GLU 97 H GLU 97 -10.537 -7.135 10.496 773 HA GLU 97 HA GLU 97 -9.622 -9.939 10.849 774 HB2 GLU 97 HB1 GLU 97 -10.430 -8.277 8.450 775 HB3 GLU 97 HB2 GLU 97 -9.750 -9.916 8.287 776 HG2 GLU 97 HG1 GLU 97 -11.490 -10.876 9.627 777 HG3 GLU 97 HG2 GLU 97 -12.216 -9.286 9.921 778 H GLU 98 H GLU 98 -8.016 -10.278 8.615 779 HA GLU 98 HA GLU 98 -5.518 -8.865 8.965 780 HB2 GLU 98 HB1 GLU 98 -5.950 -11.790 9.685 781 HB3 GLU 98 HB2 GLU 98 -4.361 -11.042 9.412 782 HG2 GLU 98 HG1 GLU 98 -4.677 -9.581 11.339 783 HG3 GLU 98 HG2 GLU 98 -6.335 -10.194 11.576 784 H VAL 99 H VAL 99 -4.570 -8.889 7.095 785 HA VAL 99 HA VAL 99 -5.271 -10.826 4.912 786 HB VAL 99 HB VAL 99 -5.327 -7.786 4.885 787 HG11 VAL 99 HG11 VAL 99 -5.800 -7.972 2.408 788 HG12 VAL 99 HG12 VAL 99 -4.132 -8.306 2.859 789 HG13 VAL 99 HG13 VAL 99 -5.221 -9.655 2.488 790 HG21 VAL 99 HG21 VAL 99 -7.363 -9.916 4.078 791 HG22 VAL 99 HG22 VAL 99 -7.435 -8.914 5.537 792 HG23 VAL 99 HG23 VAL 99 -7.588 -8.160 3.951 793 H GLU 100 H GLU 100 -3.642 -11.604 3.790 794 HA GLU 100 HA GLU 100 -0.887 -10.702 4.219 795 HB2 GLU 100 HB1 GLU 100 -1.957 -12.742 2.249 796 HB3 GLU 100 HB2 GLU 100 -0.239 -12.417 2.635 797 HG2 GLU 100 HG1 GLU 100 -0.965 -13.022 5.076 798 HG3 GLU 100 HG2 GLU 100 -2.318 -13.836 4.284 799 H LEU 101 H LEU 101 0.453 -9.634 2.830 800 HA LEU 101 HA LEU 101 -0.384 -9.241 0.034 801 HB2 LEU 101 HB1 LEU 101 0.638 -7.112 1.917 802 HB3 LEU 101 HB2 LEU 101 1.066 -7.094 0.177 803 HG LEU 101 HG LEU 101 -1.553 -7.321 -0.141 804 HD11 LEU 101 HD11 LEU 101 -1.430 -5.769 2.479 805 HD12 LEU 101 HD12 LEU 101 -2.039 -7.424 2.342 806 HD13 LEU 101 HD13 LEU 101 -2.867 -6.113 1.493 807 HD21 LEU 101 HD21 LEU 101 -0.175 -5.474 -0.991 808 HD22 LEU 101 HD22 LEU 101 -0.222 -4.691 0.604 809 HD23 LEU 101 HD23 LEU 101 -1.713 -4.884 -0.341 810 H ASP 102 H ASP 102 1.128 -9.557 -1.419 811 HA ASP 102 HA ASP 102 3.832 -10.644 -0.678 812 HB2 ASP 102 HB1 ASP 102 1.900 -11.839 -2.128 813 HB3 ASP 102 HB2 ASP 102 2.644 -10.847 -3.404 814 H LEU 103 H LEU 103 5.532 -9.184 -1.117 815 HA LEU 103 HA LEU 103 4.857 -6.704 -2.595 816 HB2 LEU 103 HB1 LEU 103 6.912 -7.526 -0.526 817 HB3 LEU 103 HB2 LEU 103 6.962 -5.956 -1.373 818 HG LEU 103 HG LEU 103 4.822 -5.340 -0.427 819 HD11 LEU 103 HD11 LEU 103 3.555 -7.298 -0.041 820 HD12 LEU 103 HD12 LEU 103 3.893 -6.651 1.555 821 HD13 LEU 103 HD13 LEU 103 4.832 -8.035 0.958 822 HD21 LEU 103 HD21 LEU 103 5.615 -5.059 1.912 823 HD22 LEU 103 HD22 LEU 103 6.926 -4.814 0.745 824 HD23 LEU 103 HD23 LEU 103 6.823 -6.335 1.655 825 H LEU 104 H LEU 104 5.556 -6.440 -4.626 826 HA LEU 104 HA LEU 104 7.667 -8.187 -5.727 827 HB2 LEU 104 HB1 LEU 104 5.842 -6.109 -6.980 828 HB3 LEU 104 HB2 LEU 104 6.943 -7.114 -7.902 829 HG LEU 104 HG LEU 104 4.500 -8.002 -6.306 830 HD11 LEU 104 HD11 LEU 104 3.641 -8.729 -8.504 831 HD12 LEU 104 HD12 LEU 104 5.100 -8.089 -9.291 832 HD13 LEU 104 HD13 LEU 104 3.962 -6.998 -8.474 833 HD21 LEU 104 HD21 LEU 104 6.207 -9.771 -6.109 834 HD22 LEU 104 HD22 LEU 104 6.481 -9.739 -7.861 835 HD23 LEU 104 HD23 LEU 104 4.925 -10.294 -7.199 836 H PHE 105 H PHE 105 9.648 -7.652 -5.228 837 HA PHE 105 HA PHE 105 10.561 -4.826 -5.253 838 HB2 PHE 105 HB1 PHE 105 11.653 -7.376 -4.059 839 HB3 PHE 105 HB2 PHE 105 12.539 -5.839 -4.086 840 HD1 PHE 105 HD2 PHE 105 11.117 -3.747 -3.176 841 HD2 PHE 105 HD1 PHE 105 10.398 -7.873 -2.141 842 HE1 PHE 105 HE2 PHE 105 10.122 -3.037 -1.018 843 HE2 PHE 105 HE1 PHE 105 9.397 -7.155 0.006 844 HZ PHE 105 HZ PHE 105 9.306 -4.744 0.597 845 H ALA 106 H ALA 106 11.211 -4.220 -7.151 846 HA ALA 106 HA ALA 106 12.202 -4.058 -9.192 847 HB1 ALA 106 HB1 ALA 106 14.113 -3.972 -7.594 848 HB2 ALA 106 HB2 ALA 106 14.358 -5.720 -7.820 849 HB3 ALA 106 HB3 ALA 106 14.577 -4.613 -9.183 850 H GLY 107 H GLY 107 10.464 -6.491 -8.811 851 HA2 GLY 107 HA3 GLY 107 9.663 -8.159 -10.213 852 HA3 GLY 107 HA2 GLY 107 11.039 -7.900 -11.310 853 H GLY 108 H GLY 108 13.239 -8.408 -9.950 854 HA2 GLY 108 HA3 GLY 108 13.243 -11.246 -9.930 855 HA3 GLY 108 HA2 GLY 108 14.623 -10.190 -9.557 856 H LYS 109 H LYS 109 12.579 -9.240 -7.239 857 HA LYS 109 HA LYS 109 12.945 -11.570 -5.416 858 HB2 LYS 109 HB1 LYS 109 13.733 -8.689 -4.973 859 HB3 LYS 109 HB2 LYS 109 13.148 -9.656 -3.592 860 HG2 LYS 109 HG1 LYS 109 14.905 -11.297 -3.927 861 HG3 LYS 109 HG2 LYS 109 15.469 -10.457 -5.382 862 HD2 LYS 109 HD1 LYS 109 16.124 -8.506 -4.039 863 HD3 LYS 109 HD2 LYS 109 15.427 -9.242 -2.575 864 HE2 LYS 109 HE1 LYS 109 17.070 -11.084 -2.717 865 HE3 LYS 109 HE2 LYS 109 17.760 -10.375 -4.187 866 HZ1 LYS 109 HZ1 LYS 109 19.036 -9.776 -2.132 867 HZ2 LYS 109 HZ2 LYS 109 17.753 -9.072 -1.496 868 HZ3 LYS 109 HZ3 LYS 109 18.421 -8.441 -2.818 869 H VAL 110 H VAL 110 11.285 -12.017 -4.099 870 HA VAL 110 HA VAL 110 9.091 -10.137 -3.695 871 HB VAL 110 HB VAL 110 8.522 -11.543 -5.628 872 HG11 VAL 110 HG11 VAL 110 9.665 -13.643 -5.030 873 HG12 VAL 110 HG12 VAL 110 8.484 -13.918 -3.728 874 HG13 VAL 110 HG13 VAL 110 7.959 -13.902 -5.419 875 HG21 VAL 110 HG21 VAL 110 6.738 -12.175 -3.237 876 HG22 VAL 110 HG22 VAL 110 6.741 -10.618 -4.075 877 HG23 VAL 110 HG23 VAL 110 6.241 -12.087 -4.935 878 H LEU 111 H LEU 111 7.961 -10.431 -1.798 879 HA LEU 111 HA LEU 111 8.655 -12.482 0.187 880 HB2 LEU 111 HB1 LEU 111 10.549 -10.944 0.357 881 HB3 LEU 111 HB2 LEU 111 9.467 -9.541 0.397 882 HG LEU 111 HG LEU 111 9.201 -11.621 2.568 883 HD11 LEU 111 HD11 LEU 111 11.021 -10.552 3.869 884 HD12 LEU 111 HD12 LEU 111 11.445 -9.553 2.460 885 HD13 LEU 111 HD13 LEU 111 11.638 -11.320 2.396 886 HD21 LEU 111 HD21 LEU 111 8.758 -9.632 3.974 887 HD22 LEU 111 HD22 LEU 111 7.694 -9.610 2.571 888 HD23 LEU 111 HD23 LEU 111 9.117 -8.558 2.605 889 H LYS 112 H LYS 112 6.849 -12.745 1.559 890 HA LYS 112 HA LYS 112 4.722 -10.692 1.253 891 HB2 LYS 112 HB1 LYS 112 3.093 -12.264 1.800 892 HB3 LYS 112 HB2 LYS 112 4.119 -12.966 0.545 893 HG2 LYS 112 HG1 LYS 112 5.186 -14.426 2.209 894 HG3 LYS 112 HG2 LYS 112 4.267 -13.640 3.521 895 HD2 LYS 112 HD1 LYS 112 2.144 -14.304 2.392 896 HD3 LYS 112 HD2 LYS 112 3.074 -15.188 1.170 897 HE2 LYS 112 HE1 LYS 112 3.900 -16.746 2.850 898 HE3 LYS 112 HE2 LYS 112 3.251 -15.713 4.166 899 HZ1 LYS 112 HZ1 LYS 112 1.782 -17.597 3.692 900 HZ2 LYS 112 HZ2 LYS 112 1.520 -17.013 2.156 901 HZ3 LYS 112 HZ3 LYS 112 1.071 -16.149 3.448 902 H VAL 113 H VAL 113 3.456 -10.025 2.904 903 HA VAL 113 HA VAL 113 4.405 -10.343 5.704 904 HB VAL 113 HB VAL 113 3.478 -7.606 4.870 905 HG11 VAL 113 HG11 VAL 113 3.887 -8.280 7.249 906 HG12 VAL 113 HG12 VAL 113 5.589 -8.552 6.862 907 HG13 VAL 113 HG13 VAL 113 4.900 -6.919 6.736 908 HG21 VAL 113 HG21 VAL 113 6.390 -8.459 4.515 909 HG22 VAL 113 HG22 VAL 113 5.297 -7.932 3.220 910 HG23 VAL 113 HG23 VAL 113 5.780 -6.793 4.473 911 H VAL 114 H VAL 114 2.638 -9.710 7.268 912 HA VAL 114 HA VAL 114 -0.086 -9.894 6.081 913 HB VAL 114 HB VAL 114 0.555 -12.144 6.737 914 HG11 VAL 114 HG11 VAL 114 2.138 -11.642 8.590 915 HG12 VAL 114 HG12 VAL 114 0.761 -11.186 9.618 916 HG13 VAL 114 HG13 VAL 114 0.913 -12.845 9.021 917 HG21 VAL 114 HG21 VAL 114 -1.433 -12.676 8.043 918 HG22 VAL 114 HG22 VAL 114 -1.582 -10.991 8.580 919 HG23 VAL 114 HG23 VAL 114 -1.807 -11.405 6.869 920 H LEU 115 H LEU 115 -1.506 -8.562 6.872 921 HA LEU 115 HA LEU 115 -0.826 -6.941 9.266 922 HB2 LEU 115 HB1 LEU 115 -1.567 -4.942 7.866 923 HB3 LEU 115 HB2 LEU 115 0.090 -5.527 7.757 924 HG LEU 115 HG LEU 115 -1.998 -6.280 5.678 925 HD11 LEU 115 HD11 LEU 115 -2.036 -3.851 5.859 926 HD12 LEU 115 HD12 LEU 115 -1.175 -4.291 4.386 927 HD13 LEU 115 HD13 LEU 115 -0.269 -3.766 5.830 928 HD21 LEU 115 HD21 LEU 115 1.060 -6.031 5.671 929 HD22 LEU 115 HD22 LEU 115 0.086 -6.293 4.211 930 HD23 LEU 115 HD23 LEU 115 0.119 -7.520 5.464 931 HA PRO 116 HA PRO 116 -5.141 -7.285 10.142 932 HB2 PRO 116 HB1 PRO 116 -5.583 -5.025 11.663 933 HB3 PRO 116 HB2 PRO 116 -4.792 -6.519 12.252 934 HG2 PRO 116 HG1 PRO 116 -3.460 -4.017 11.167 935 HG3 PRO 116 HG2 PRO 116 -3.077 -4.906 12.686 936 HD2 PRO 116 HD1 PRO 116 -1.622 -5.353 10.463 937 HD3 PRO 116 HD2 PRO 116 -2.154 -6.738 11.465 938 H VAL 117 H VAL 117 -7.148 -6.434 9.654 939 HA VAL 117 HA VAL 117 -7.277 -4.233 7.634 940 HB VAL 117 HB VAL 117 -9.382 -6.158 8.657 941 HG11 VAL 117 HG11 VAL 117 -9.517 -4.157 6.344 942 HG12 VAL 117 HG12 VAL 117 -10.793 -5.295 6.832 943 HG13 VAL 117 HG13 VAL 117 -10.346 -3.973 7.906 944 HG21 VAL 117 HG21 VAL 117 -7.954 -6.132 5.970 945 HG22 VAL 117 HG22 VAL 117 -7.759 -7.341 7.257 946 HG23 VAL 117 HG23 VAL 117 -9.306 -7.188 6.418 947 H GLU 118 H GLU 118 -7.806 -2.225 8.370 948 HA GLU 118 HA GLU 118 -9.636 -1.772 10.523 949 HB2 GLU 118 HB1 GLU 118 -6.726 -1.492 10.989 950 HB3 GLU 118 HB2 GLU 118 -7.636 -0.027 11.390 951 HG2 GLU 118 HG1 GLU 118 -8.299 -2.789 12.443 952 HG3 GLU 118 HG2 GLU 118 -7.305 -1.585 13.295 953 H ALA 119 H ALA 119 -9.968 0.638 10.816 954 HA ALA 119 HA ALA 119 -10.740 1.393 8.187 955 HB1 ALA 119 HB1 ALA 119 -11.025 2.859 10.835 956 HB2 ALA 119 HB2 ALA 119 -11.933 3.236 9.356 957 HB3 ALA 119 HB3 ALA 119 -12.157 1.668 10.165 958 H ARG 120 H ARG 120 -10.196 3.135 6.819 959 HA ARG 120 HA ARG 120 -8.523 5.302 7.834 960 HB2 ARG 120 HB1 ARG 120 -7.400 3.516 6.415 961 HB3 ARG 120 HB2 ARG 120 -8.363 4.063 5.056 962 HG2 ARG 120 HG1 ARG 120 -6.746 5.988 6.737 963 HG3 ARG 120 HG2 ARG 120 -6.049 4.971 5.444 964 HD2 ARG 120 HD1 ARG 120 -7.069 6.202 3.761 965 HD3 ARG 120 HD2 ARG 120 -8.395 6.758 4.775 966 HE ARG 120 HE ARG 120 -5.815 8.022 4.404 967 HH11 ARG 120 HH12 ARG 120 -8.642 7.971 6.606 968 HH12 ARG 120 HH11 ARG 120 -8.197 9.498 7.260 969 HH21 ARG 120 HH22 ARG 120 -5.491 9.978 5.223 970 HH22 ARG 120 HH21 ARG 120 -6.520 10.630 6.490
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