NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
548963 | 2lau | 17456 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 3.608 16.392 7.103 2 H2 GLY 1 2HT GLY 1 2.551 15.072 7.107 3 H3 GLY 1 3HT GLY 1 2.663 16.061 5.739 4 HA2 GLY 1 1HA GLY 1 5.167 14.891 6.587 5 HA3 GLY 1 2HA GLY 1 3.964 13.734 6.040 6 H SER 2 H SER 2 4.937 13.156 4.140 7 HA SER 2 HA SER 2 6.152 14.885 2.309 8 HB2 SER 2 2HB SER 2 4.822 12.574 1.086 9 HB3 SER 2 1HB SER 2 6.533 12.997 1.127 10 HG SER 2 HG SER 2 6.353 11.173 2.327 11 HA PRO 3 HA PRO 3 2.847 16.704 0.019 12 HB2 PRO 3 2HB PRO 3 3.584 16.532 -2.560 13 HB3 PRO 3 1HB PRO 3 4.477 17.519 -1.398 14 HG2 PRO 3 2HG PRO 3 5.109 14.786 -2.442 15 HG3 PRO 3 1HG PRO 3 6.196 16.161 -2.176 16 HD2 PRO 3 2HD PRO 3 5.940 14.064 -0.436 17 HD3 PRO 3 1HD PRO 3 6.432 15.696 0.055 18 H GLY 4 H GLY 4 3.216 13.399 -0.113 19 HA2 GLY 4 2HA GLY 4 0.637 12.718 -0.581 20 HA3 GLY 4 1HA GLY 4 1.318 12.822 -2.198 21 H PHE 5 H PHE 5 0.451 10.350 -1.786 22 HA PHE 5 HA PHE 5 1.751 8.404 -2.324 23 HB2 PHE 5 2HB PHE 5 3.493 7.575 -1.010 24 HB3 PHE 5 1HB PHE 5 3.859 9.278 -1.253 25 HD1 PHE 5 2HD PHE 5 1.505 9.875 0.917 26 HD2 PHE 5 1HD PHE 5 5.149 7.685 0.846 27 HE1 PHE 5 2HE PHE 5 1.727 10.178 3.351 28 HE2 PHE 5 1HE PHE 5 5.380 7.979 3.280 29 HZ PHE 5 HZ PHE 5 3.667 9.229 4.535 30 H THR 6 H THR 6 -0.679 9.233 -1.087 31 HA THR 6 HA THR 6 -1.161 7.451 1.061 32 HB THR 6 HB THR 6 -2.375 9.783 -0.061 33 HG1 THR 6 1HG THR 6 -1.601 9.226 2.143 34 HG21 THR 6 3HG2 THR 6 -4.662 8.947 1.064 35 HG22 THR 6 1HG2 THR 6 -4.203 7.504 0.174 36 HG23 THR 6 2HG2 THR 6 -4.387 9.039 -0.665 37 H CYS 7 H CYS 7 -0.193 5.831 -0.641 38 HA CYS 7 HA CYS 7 -0.521 3.774 -1.566 39 HB2 CYS 7 2HB CYS 7 -2.077 3.427 0.298 40 HB3 CYS 7 1HB CYS 7 -3.359 4.206 -0.618 41 H CYS 8 H CYS 8 -0.243 3.909 -3.767 42 HA CYS 8 HA CYS 8 -1.769 5.444 -5.512 43 HB2 CYS 8 2HB CYS 8 0.333 4.456 -6.217 44 HB3 CYS 8 1HB CYS 8 -0.348 2.842 -6.072 45 HG CYS 8 HG CYS 8 -1.143 4.859 -8.302 46 H VAL 9 H VAL 9 -3.804 5.109 -4.497 47 HA VAL 9 HA VAL 9 -5.182 2.629 -4.735 48 HB VAL 9 HB VAL 9 -5.979 5.364 -3.785 49 HG11 VAL 9 1HG1 VAL 9 -8.139 4.874 -3.756 50 HG12 VAL 9 2HG1 VAL 9 -7.822 3.317 -2.997 51 HG13 VAL 9 3HG1 VAL 9 -7.784 3.465 -4.749 52 HG21 VAL 9 3HG2 VAL 9 -4.895 4.621 -2.020 53 HG22 VAL 9 1HG2 VAL 9 -4.864 2.971 -2.629 54 HG23 VAL 9 2HG2 VAL 9 -6.283 3.570 -1.779 55 HA PRO 10 HA PRO 10 -6.737 3.761 -8.842 56 HB2 PRO 10 2HB PRO 10 -7.344 1.262 -9.609 57 HB3 PRO 10 1HB PRO 10 -5.666 1.827 -9.615 58 HG2 PRO 10 2HG PRO 10 -7.101 0.191 -7.554 59 HG3 PRO 10 1HG PRO 10 -5.499 -0.081 -8.267 60 HD2 PRO 10 2HD PRO 10 -5.830 1.101 -5.843 61 HD3 PRO 10 1HD PRO 10 -4.501 1.517 -6.942 62 H GLY 11 H GLY 11 -7.994 2.132 -6.060 63 HA2 GLY 11 2HA GLY 11 -10.593 3.229 -6.449 64 HA3 GLY 11 1HA GLY 11 -10.580 1.507 -6.758 65 H CYS 12 H CYS 12 -8.319 1.666 -4.360 66 HA CYS 12 HA CYS 12 -10.249 0.800 -2.471 67 HB2 CYS 12 2HB CYS 12 -8.209 0.857 -0.830 68 HB3 CYS 12 1HB CYS 12 -8.361 -0.380 -2.052 69 H TYR 13 H TYR 13 -8.410 2.342 -0.276 70 HA TYR 13 HA TYR 13 -10.518 4.045 0.462 71 HB2 TYR 13 2HB TYR 13 -8.590 2.871 1.844 72 HB3 TYR 13 1HB TYR 13 -7.890 4.466 1.729 73 HD1 TYR 13 2HD TYR 13 -11.523 3.774 1.919 74 HD2 TYR 13 1HD TYR 13 -8.076 5.096 4.038 75 HE1 TYR 13 2HE TYR 13 -12.951 4.533 3.766 76 HE2 TYR 13 1HE TYR 13 -9.497 5.859 5.884 77 HH TYR 13 HH TYR 13 -11.995 5.081 6.726 78 H ASN 14 H ASN 14 -7.321 5.350 0.525 79 HA ASN 14 HA ASN 14 -8.012 7.684 -1.106 80 HB2 ASN 14 2HB ASN 14 -6.527 8.943 0.540 81 HB3 ASN 14 1HB ASN 14 -8.038 8.378 1.162 82 HD21 ASN 14 1HD2 ASN 14 -8.084 6.170 2.050 83 HD22 ASN 14 2HD2 ASN 14 -6.762 5.611 3.005 84 H ASN 15 H ASN 15 -5.924 8.580 -2.325 85 HA ASN 15 HA ASN 15 -4.172 6.289 -2.598 86 HB2 ASN 15 2HB ASN 15 -5.032 6.302 -4.704 87 HB3 ASN 15 1HB ASN 15 -5.508 7.981 -4.606 88 HD21 ASN 15 1HD2 ASN 15 -3.529 9.507 -4.671 89 HD22 ASN 15 2HD2 ASN 15 -2.387 9.156 -5.914 90 H SER 16 H SER 16 -1.919 6.632 -3.766 91 HA SER 16 HA SER 16 -0.320 7.815 -1.983 92 HB2 SER 16 2HB SER 16 0.062 5.973 -3.914 93 HB3 SER 16 1HB SER 16 0.838 7.340 -4.690 94 HG SER 16 HG SER 16 2.458 6.904 -3.453 95 H HIS 17 H HIS 17 -2.162 9.846 -3.370 96 HA HIS 17 HA HIS 17 -0.560 12.062 -3.249 97 HB2 HIS 17 2HB HIS 17 -0.198 12.680 -5.626 98 HB3 HIS 17 1HB HIS 17 0.733 11.279 -5.119 99 HD1 HIS 17 1HD HIS 17 -2.580 11.950 -6.881 100 HD2 HIS 17 2HD HIS 17 0.569 9.236 -6.877 101 HE1 HIS 17 1HE HIS 17 -3.067 10.354 -8.761 102 HE2 HIS 17 2HE HIS 17 -1.115 8.759 -8.783 103 H ARG 18 H ARG 18 -3.097 11.761 -2.416 104 HA ARG 18 HA ARG 18 -4.398 13.956 -3.626 105 HB2 ARG 18 2HB ARG 18 -6.301 12.949 -4.656 106 HB3 ARG 18 1HB ARG 18 -4.858 12.232 -5.355 107 HG2 ARG 18 2HG ARG 18 -5.154 10.258 -3.949 108 HG3 ARG 18 1HG ARG 18 -6.596 10.982 -3.235 109 HD2 ARG 18 2HD ARG 18 -6.522 10.836 -6.185 110 HD3 ARG 18 1HD ARG 18 -6.662 9.301 -5.332 111 HE ARG 18 HE ARG 18 -8.513 11.170 -4.301 112 HH11 ARG 18 1HH1 ARG 18 -7.936 9.143 -7.080 113 HH12 ARG 18 2HH1 ARG 18 -9.616 8.978 -7.468 114 HH21 ARG 18 1HH2 ARG 18 -10.724 10.958 -4.806 115 HH22 ARG 18 2HH2 ARG 18 -11.200 10.011 -6.176 116 H ASP 19 H ASP 19 -3.768 12.552 -0.952 117 HA ASP 19 HA ASP 19 -6.081 13.550 0.415 118 HB2 ASP 19 2HB ASP 19 -5.488 10.591 0.462 119 HB3 ASP 19 1HB ASP 19 -6.530 11.399 1.622 120 H LYS 20 H LYS 20 -3.869 11.008 1.407 121 HA LYS 20 HA LYS 20 -2.217 10.888 2.954 122 HB2 LYS 20 2HB LYS 20 -1.989 13.881 2.722 123 HB3 LYS 20 1HB LYS 20 -0.753 12.751 3.252 124 HG2 LYS 20 2HG LYS 20 -0.034 12.509 1.179 125 HG3 LYS 20 1HG LYS 20 -1.642 12.025 0.636 126 HD2 LYS 20 2HD LYS 20 -0.865 13.980 -0.598 127 HD3 LYS 20 1HD LYS 20 -2.266 14.383 0.396 128 HE2 LYS 20 2HE LYS 20 -0.370 15.008 2.144 129 HE3 LYS 20 1HE LYS 20 0.570 15.225 0.668 130 HZ1 LYS 20 3HZ LYS 20 -2.080 16.488 1.029 131 HZ2 LYS 20 1HZ LYS 20 -0.869 16.886 -0.085 132 HZ3 LYS 20 2HZ LYS 20 -0.656 17.234 1.556 133 H ALA 21 H ALA 21 -5.138 11.914 3.648 134 HA ALA 21 HA ALA 21 -4.410 12.585 6.439 135 HB1 ALA 21 1HB ALA 21 -5.544 14.364 4.962 136 HB2 ALA 21 2HB ALA 21 -6.115 14.121 6.613 137 HB3 ALA 21 3HB ALA 21 -7.014 13.435 5.260 138 H LEU 22 H LEU 22 -5.263 9.831 5.103 139 HA LEU 22 HA LEU 22 -7.396 9.297 7.046 140 HB2 LEU 22 2HB LEU 22 -7.024 7.595 4.566 141 HB3 LEU 22 1HB LEU 22 -8.459 7.784 5.564 142 HG LEU 22 HG LEU 22 -7.674 9.245 3.176 143 HD11 LEU 22 1HD1 LEU 22 -9.797 8.721 2.755 144 HD12 LEU 22 2HD1 LEU 22 -10.311 9.812 4.039 145 HD13 LEU 22 3HD1 LEU 22 -9.996 8.119 4.403 146 HD21 LEU 22 3HD2 LEU 22 -8.284 10.765 5.660 147 HD22 LEU 22 1HD2 LEU 22 -8.969 11.308 4.131 148 HD23 LEU 22 2HD2 LEU 22 -7.223 11.180 4.312 149 H HIS 23 H HIS 23 -6.898 6.202 6.841 150 HA HIS 23 HA HIS 23 -4.542 6.291 8.525 151 HB2 HIS 23 2HB HIS 23 -7.029 4.961 8.623 152 HB3 HIS 23 1HB HIS 23 -5.819 3.702 8.398 153 HD1 HIS 23 1HD HIS 23 -5.167 2.757 10.575 154 HD2 HIS 23 2HD HIS 23 -5.907 6.838 10.846 155 HE1 HIS 23 1HE HIS 23 -4.730 3.361 12.977 156 HE2 HIS 23 2HE HIS 23 -5.109 5.850 13.099 157 H PHE 24 H PHE 24 -2.611 4.884 8.124 158 HA PHE 24 HA PHE 24 -2.821 3.314 5.708 159 HB2 PHE 24 2HB PHE 24 -0.664 5.283 6.316 160 HB3 PHE 24 1HB PHE 24 -0.356 3.903 5.263 161 HD1 PHE 24 2HD PHE 24 -2.906 6.565 5.733 162 HD2 PHE 24 1HD PHE 24 -0.665 4.263 2.907 163 HE1 PHE 24 2HE PHE 24 -3.989 7.723 3.866 164 HE2 PHE 24 1HE PHE 24 -1.761 5.363 1.123 165 HZ PHE 24 HZ PHE 24 -3.424 7.078 1.539 166 H TYR 25 H TYR 25 -1.844 1.194 5.756 167 HA TYR 25 HA TYR 25 -0.909 0.304 8.336 168 HB2 TYR 25 2HB TYR 25 -1.511 -1.094 5.721 169 HB3 TYR 25 1HB TYR 25 -0.771 -1.936 7.077 170 HD1 TYR 25 2HD TYR 25 -3.204 0.644 7.881 171 HD2 TYR 25 1HD TYR 25 -2.702 -3.489 6.999 172 HE1 TYR 25 2HE TYR 25 -5.434 0.182 8.802 173 HE2 TYR 25 1HE TYR 25 -4.933 -3.962 7.915 174 HH TYR 25 HH TYR 25 -7.220 -2.145 8.226 175 H THR 26 H THR 26 1.302 -0.880 8.500 176 HA THR 26 HA THR 26 3.145 0.451 6.647 177 HB THR 26 HB THR 26 4.549 0.777 8.380 178 HG1 THR 26 1HG THR 26 5.507 -0.880 9.207 179 HG21 THR 26 3HG2 THR 26 3.663 0.856 10.572 180 HG22 THR 26 1HG2 THR 26 2.427 -0.341 10.186 181 HG23 THR 26 2HG2 THR 26 2.355 1.267 9.463 182 H PHE 27 H PHE 27 5.315 -0.825 6.355 183 HA PHE 27 HA PHE 27 4.661 -3.082 4.855 184 HB2 PHE 27 2HB PHE 27 6.849 -1.332 5.214 185 HB3 PHE 27 1HB PHE 27 7.424 -2.959 4.999 186 HD1 PHE 27 2HD PHE 27 4.458 -2.833 3.206 187 HD2 PHE 27 1HD PHE 27 8.451 -1.360 3.091 188 HE1 PHE 27 2HE PHE 27 4.298 -2.553 0.773 189 HE2 PHE 27 1HE PHE 27 8.288 -1.099 0.666 190 HZ PHE 27 HZ PHE 27 6.201 -1.687 -0.500 191 HA PRO 28 HA PRO 28 5.215 -6.591 7.717 192 HB2 PRO 28 2HB PRO 28 6.559 -7.542 5.163 193 HB3 PRO 28 1HB PRO 28 5.594 -8.504 6.278 194 HG2 PRO 28 2HG PRO 28 4.460 -7.569 4.137 195 HG3 PRO 28 1HG PRO 28 3.609 -7.384 5.675 196 HD2 PRO 28 2HD PRO 28 4.977 -5.361 4.012 197 HD3 PRO 28 1HD PRO 28 3.614 -5.191 5.102 198 H LYS 29 H LYS 29 7.159 -8.026 8.434 199 HA LYS 29 HA LYS 29 9.466 -6.348 8.857 200 HB2 LYS 29 2HB LYS 29 10.247 -8.481 10.092 201 HB3 LYS 29 1HB LYS 29 8.923 -7.545 10.771 202 HG2 LYS 29 2HG LYS 29 7.964 -9.573 8.950 203 HG3 LYS 29 1HG LYS 29 8.968 -10.269 10.219 204 HD2 LYS 29 2HD LYS 29 6.830 -8.289 10.905 205 HD3 LYS 29 1HD LYS 29 6.415 -9.980 10.618 206 HE2 LYS 29 2HE LYS 29 8.703 -9.536 12.411 207 HE3 LYS 29 1HE LYS 29 7.152 -8.965 13.022 208 HZ1 LYS 29 3HZ LYS 29 7.054 -11.597 11.853 209 HZ2 LYS 29 1HZ LYS 29 6.427 -11.041 13.323 210 HZ3 LYS 29 2HZ LYS 29 8.051 -11.497 13.215 211 H ASP 30 H ASP 30 8.638 -9.068 6.917 212 HA ASP 30 HA ASP 30 11.342 -9.812 6.251 213 HB2 ASP 30 2HB ASP 30 9.346 -10.766 4.387 214 HB3 ASP 30 1HB ASP 30 10.335 -11.713 5.484 215 H ALA 31 H ALA 31 12.583 -8.575 4.891 216 HA ALA 31 HA ALA 31 11.838 -6.448 3.435 217 HB1 ALA 31 1HB ALA 31 14.072 -6.604 3.588 218 HB2 ALA 31 2HB ALA 31 13.902 -7.160 1.931 219 HB3 ALA 31 3HB ALA 31 14.121 -8.327 3.239 220 H GLU 32 H GLU 32 12.303 -9.637 1.668 221 HA GLU 32 HA GLU 32 11.238 -8.752 -0.750 222 HB2 GLU 32 2HB GLU 32 12.319 -10.833 -0.715 223 HB3 GLU 32 1HB GLU 32 11.318 -11.519 0.499 224 HG2 GLU 32 2HG GLU 32 10.227 -10.736 -2.183 225 HG3 GLU 32 1HG GLU 32 11.019 -12.287 -1.918 226 H LEU 33 H LEU 33 9.140 -10.628 1.627 227 HA LEU 33 HA LEU 33 6.859 -10.349 0.231 228 HB2 LEU 33 2HB LEU 33 7.223 -11.116 2.687 229 HB3 LEU 33 1HB LEU 33 6.912 -9.454 3.107 230 HG LEU 33 HG LEU 33 4.726 -9.748 2.988 231 HD11 LEU 33 1HD1 LEU 33 4.764 -9.497 0.562 232 HD12 LEU 33 2HD1 LEU 33 3.559 -10.690 1.042 233 HD13 LEU 33 3HD1 LEU 33 5.104 -11.213 0.379 234 HD21 LEU 33 3HD2 LEU 33 3.942 -12.172 2.737 235 HD22 LEU 33 1HD2 LEU 33 4.974 -11.742 4.097 236 HD23 LEU 33 2HD2 LEU 33 5.661 -12.551 2.688 237 H ARG 34 H ARG 34 8.614 -7.877 1.857 238 HA ARG 34 HA ARG 34 6.836 -5.719 1.653 239 HB2 ARG 34 2HB ARG 34 8.458 -4.442 2.581 240 HB3 ARG 34 1HB ARG 34 9.247 -5.980 2.848 241 HG2 ARG 34 2HG ARG 34 10.999 -4.954 1.910 242 HG3 ARG 34 1HG ARG 34 10.202 -5.315 0.392 243 HD2 ARG 34 2HD ARG 34 10.421 -3.120 0.034 244 HD3 ARG 34 1HD ARG 34 8.979 -3.019 1.035 245 HE ARG 34 HE ARG 34 10.231 -1.885 2.555 246 HH11 ARG 34 1HH1 ARG 34 12.370 -3.935 0.712 247 HH12 ARG 34 2HH1 ARG 34 13.797 -3.389 1.527 248 HH21 ARG 34 1HH2 ARG 34 12.107 -1.165 3.627 249 HH22 ARG 34 2HH2 ARG 34 13.648 -1.817 3.182 250 H ARG 35 H ARG 35 9.569 -6.496 -0.457 251 HA ARG 35 HA ARG 35 8.962 -4.527 -2.321 252 HB2 ARG 35 2HB ARG 35 10.281 -5.801 -3.959 253 HB3 ARG 35 1HB ARG 35 11.111 -5.638 -2.426 254 HG2 ARG 35 2HG ARG 35 11.569 -7.797 -3.044 255 HG3 ARG 35 1HG ARG 35 10.227 -7.999 -1.937 256 HD2 ARG 35 2HD ARG 35 9.849 -9.409 -3.831 257 HD3 ARG 35 1HD ARG 35 8.705 -8.077 -3.923 258 HE ARG 35 HE ARG 35 9.755 -7.327 -5.824 259 HH11 ARG 35 1HH1 ARG 35 11.712 -9.789 -4.309 260 HH12 ARG 35 2HH1 ARG 35 12.783 -9.944 -5.660 261 HH21 ARG 35 1HH2 ARG 35 11.164 -7.529 -7.600 262 HH22 ARG 35 2HH2 ARG 35 12.474 -8.661 -7.528 263 H LEU 36 H LEU 36 7.607 -7.740 -1.736 264 HA LEU 36 HA LEU 36 6.190 -7.863 -4.242 265 HB2 LEU 36 2HB LEU 36 5.439 -9.001 -1.545 266 HB3 LEU 36 1HB LEU 36 4.504 -9.263 -2.994 267 HG LEU 36 HG LEU 36 7.295 -10.229 -2.412 268 HD11 LEU 36 1HD1 LEU 36 6.168 -12.420 -3.002 269 HD12 LEU 36 2HD1 LEU 36 4.638 -11.550 -2.890 270 HD13 LEU 36 3HD1 LEU 36 5.686 -11.674 -1.478 271 HD21 LEU 36 3HD2 LEU 36 7.423 -9.544 -4.665 272 HD22 LEU 36 1HD2 LEU 36 5.793 -10.121 -5.014 273 HD23 LEU 36 2HD2 LEU 36 7.092 -11.277 -4.715 274 H TRP 37 H TRP 37 5.304 -6.358 -1.146 275 HA TRP 37 HA TRP 37 2.803 -5.502 -2.100 276 HB2 TRP 37 2HB TRP 37 4.624 -4.539 0.088 277 HB3 TRP 37 1HB TRP 37 3.154 -3.660 -0.317 278 HD1 TRP 37 HD TRP 37 3.291 -7.449 -0.478 279 HE1 TRP 37 1HE TRP 37 1.792 -8.442 1.388 280 HE3 TRP 37 3HE TRP 37 2.018 -3.125 1.897 281 HZ2 TRP 37 2HZ TRP 37 0.231 -7.468 3.552 282 HZ3 TRP 37 3HZ TRP 37 0.540 -3.224 3.831 283 HH2 TRP 37 HH TRP 37 -0.356 -5.341 4.638 284 H LEU 38 H LEU 38 6.117 -4.101 -2.309 285 HA LEU 38 HA LEU 38 5.738 -1.540 -3.113 286 HB2 LEU 38 2HB LEU 38 7.514 -3.696 -4.238 287 HB3 LEU 38 1HB LEU 38 7.482 -2.138 -4.971 288 HG LEU 38 HG LEU 38 8.456 -2.864 -2.246 289 HD11 LEU 38 1HD1 LEU 38 10.480 -2.137 -2.983 290 HD12 LEU 38 2HD1 LEU 38 9.776 -0.936 -4.068 291 HD13 LEU 38 3HD1 LEU 38 9.792 -2.640 -4.527 292 HD21 LEU 38 3HD2 LEU 38 6.896 -0.944 -2.012 293 HD22 LEU 38 1HD2 LEU 38 7.880 -0.056 -3.171 294 HD23 LEU 38 2HD2 LEU 38 8.566 -0.554 -1.624 295 H LYS 39 H LYS 39 5.225 -4.569 -5.093 296 HA LYS 39 HA LYS 39 4.425 -3.469 -7.476 297 HB2 LYS 39 2HB LYS 39 4.185 -5.990 -6.021 298 HB3 LYS 39 1HB LYS 39 2.919 -5.765 -7.196 299 HG2 LYS 39 2HG LYS 39 5.170 -6.965 -7.781 300 HG3 LYS 39 1HG LYS 39 4.348 -5.942 -8.965 301 HD2 LYS 39 2HD LYS 39 6.261 -4.561 -7.192 302 HD3 LYS 39 1HD LYS 39 6.968 -5.729 -8.310 303 HE2 LYS 39 2HE LYS 39 6.481 -4.483 -10.131 304 HE3 LYS 39 1HE LYS 39 4.959 -3.904 -9.459 305 HZ1 LYS 39 3HZ LYS 39 6.098 -2.291 -8.174 306 HZ2 LYS 39 1HZ LYS 39 6.710 -2.175 -9.748 307 HZ3 LYS 39 2HZ LYS 39 7.612 -2.948 -8.543 308 H ASN 40 H ASN 40 2.215 -4.542 -4.907 309 HA ASN 40 HA ASN 40 -0.144 -3.678 -6.135 310 HB2 ASN 40 2HB ASN 40 -0.351 -3.501 -3.242 311 HB3 ASN 40 1HB ASN 40 -1.157 -4.582 -4.359 312 HD21 ASN 40 1HD2 ASN 40 -0.246 -5.237 -1.777 313 HD22 ASN 40 2HD2 ASN 40 0.944 -6.474 -1.943 314 H VAL 41 H VAL 41 2.195 -1.900 -4.406 315 HA VAL 41 HA VAL 41 0.479 0.260 -3.729 316 HB VAL 41 HB VAL 41 2.871 -0.535 -2.720 317 HG11 VAL 41 1HG1 VAL 41 4.084 0.481 -4.627 318 HG12 VAL 41 2HG1 VAL 41 4.496 1.213 -3.078 319 HG13 VAL 41 3HG1 VAL 41 3.406 2.045 -4.186 320 HG21 VAL 41 3HG2 VAL 41 0.862 1.168 -2.062 321 HG22 VAL 41 1HG2 VAL 41 2.219 2.285 -2.222 322 HG23 VAL 41 2HG2 VAL 41 2.325 0.926 -1.104 323 H SER 42 H SER 42 2.338 -0.423 -6.621 324 HA SER 42 HA SER 42 1.225 1.328 -8.277 325 HB2 SER 42 2HB SER 42 1.424 3.412 -7.333 326 HB3 SER 42 1HB SER 42 2.817 2.945 -6.348 327 HG SER 42 HG SER 42 2.908 4.436 -8.429 328 H ARG 43 H ARG 43 4.772 2.170 -8.014 329 HA ARG 43 HA ARG 43 6.326 0.400 -8.938 330 HB2 ARG 43 2HB ARG 43 6.007 -0.187 -11.281 331 HB3 ARG 43 1HB ARG 43 4.606 -0.680 -10.351 332 HG2 ARG 43 2HG ARG 43 3.403 0.329 -11.930 333 HG3 ARG 43 1HG ARG 43 3.917 1.844 -11.185 334 HD2 ARG 43 2HD ARG 43 5.317 2.346 -12.875 335 HD3 ARG 43 1HD ARG 43 5.846 0.675 -13.066 336 HE ARG 43 HE ARG 43 3.168 1.146 -13.992 337 HH11 ARG 43 1HH1 ARG 43 6.549 1.262 -14.849 338 HH12 ARG 43 2HH1 ARG 43 6.251 1.120 -16.549 339 HH21 ARG 43 1HH2 ARG 43 2.774 0.958 -16.227 340 HH22 ARG 43 2HH2 ARG 43 4.109 0.948 -17.332 341 H ALA 44 H ALA 44 7.130 1.198 -11.623 342 HA ALA 44 HA ALA 44 8.619 3.505 -11.011 343 HB1 ALA 44 1HB ALA 44 8.072 2.769 -13.856 344 HB2 ALA 44 2HB ALA 44 8.925 1.620 -12.823 345 HB3 ALA 44 3HB ALA 44 9.589 3.233 -13.079 346 H GLY 45 H GLY 45 6.490 4.839 -10.225 347 HA2 GLY 45 2HA GLY 45 5.169 6.660 -10.623 348 HA3 GLY 45 1HA GLY 45 6.058 6.877 -12.116 349 H VAL 46 H VAL 46 4.569 3.832 -11.819 350 HA VAL 46 HA VAL 46 2.888 2.844 -12.985 351 HB VAL 46 HB VAL 46 1.081 5.133 -13.121 352 HG11 VAL 46 1HG1 VAL 46 1.100 2.344 -12.105 353 HG12 VAL 46 2HG1 VAL 46 0.030 3.114 -13.277 354 HG13 VAL 46 3HG1 VAL 46 -0.164 3.442 -11.555 355 HG21 VAL 46 3HG2 VAL 46 2.012 6.088 -11.227 356 HG22 VAL 46 1HG2 VAL 46 2.473 4.530 -10.540 357 HG23 VAL 46 2HG2 VAL 46 0.782 5.029 -10.539 358 H SER 47 H SER 47 4.884 4.612 -14.413 359 HA SER 47 HA SER 47 3.970 4.205 -17.045 360 HB2 SER 47 2HB SER 47 3.176 6.274 -17.757 361 HB3 SER 47 1HB SER 47 2.536 6.246 -16.114 362 HG SER 47 HG SER 47 4.036 8.091 -17.155 363 H GLY 48 H GLY 48 5.884 6.872 -15.229 364 HA2 GLY 48 2HA GLY 48 8.167 6.032 -16.922 365 HA3 GLY 48 1HA GLY 48 7.873 7.696 -16.436 366 H CYS 49 H CYS 49 10.168 5.820 -15.971 367 HA CYS 49 HA CYS 49 10.163 5.263 -13.152 368 HB2 CYS 49 2HB CYS 49 11.447 4.001 -14.969 369 HB3 CYS 49 1HB CYS 49 12.590 5.340 -14.938 370 HG CYS 49 HG CYS 49 12.109 3.900 -12.258 371 H PHE 50 H PHE 50 9.514 7.831 -13.113 372 HA PHE 50 HA PHE 50 11.666 9.680 -13.219 373 HB2 PHE 50 2HB PHE 50 9.027 10.012 -13.116 374 HB3 PHE 50 1HB PHE 50 9.327 10.137 -11.388 375 HD1 PHE 50 2HD PHE 50 11.813 11.567 -11.192 376 HD2 PHE 50 1HD PHE 50 8.601 12.119 -13.929 377 HE1 PHE 50 2HE PHE 50 12.464 13.923 -11.476 378 HE2 PHE 50 1HE PHE 50 9.247 14.475 -14.218 379 HZ PHE 50 HZ PHE 50 11.181 15.380 -12.990 380 H SER 51 H SER 51 9.861 8.689 -10.169 381 HA SER 51 HA SER 51 11.548 7.517 -8.582 382 HB2 SER 51 2HB SER 51 13.530 8.680 -9.009 383 HB3 SER 51 1HB SER 51 12.719 10.245 -9.049 384 HG SER 51 HG SER 51 13.356 8.649 -6.803 385 H THR 52 H THR 52 9.274 9.975 -8.981 386 HA THR 52 HA THR 52 8.925 11.150 -6.554 387 HB THR 52 HB THR 52 6.668 11.551 -7.142 388 HG1 THR 52 1HG THR 52 5.429 10.162 -8.215 389 HG21 THR 52 3HG2 THR 52 8.603 11.859 -9.095 390 HG22 THR 52 1HG2 THR 52 7.001 12.598 -9.071 391 HG23 THR 52 2HG2 THR 52 7.260 11.081 -9.933 392 H PHE 53 H PHE 53 7.095 10.626 -4.866 393 HA PHE 53 HA PHE 53 6.754 9.322 -3.018 394 HB2 PHE 53 2HB PHE 53 5.160 7.530 -3.467 395 HB3 PHE 53 1HB PHE 53 4.781 8.960 -4.420 396 HD1 PHE 53 1HD PHE 53 6.146 5.530 -4.554 397 HD2 PHE 53 2HD PHE 53 4.823 8.910 -6.784 398 HE1 PHE 53 1HE PHE 53 6.108 4.166 -6.594 399 HE2 PHE 53 2HE PHE 53 4.787 7.546 -8.831 400 HZ PHE 53 HZ PHE 53 5.425 5.172 -8.734 401 H GLN 54 H GLN 54 9.400 8.865 -4.057 402 HA GLN 54 HA GLN 54 10.237 6.299 -4.418 403 HB2 GLN 54 2HB GLN 54 11.614 8.453 -4.230 404 HB3 GLN 54 1HB GLN 54 11.652 8.144 -2.502 405 HG2 GLN 54 2HG GLN 54 12.588 5.838 -3.162 406 HG3 GLN 54 1HG GLN 54 12.905 6.587 -4.726 407 HE21 GLN 54 1HE2 GLN 54 13.782 9.010 -4.214 408 HE22 GLN 54 2HE2 GLN 54 15.201 8.992 -3.230 409 HA PRO 55 HA PRO 55 8.712 4.370 -0.665 410 HB2 PRO 55 2HB PRO 55 9.960 1.900 -1.493 411 HB3 PRO 55 1HB PRO 55 8.249 2.317 -1.425 412 HG2 PRO 55 2HG PRO 55 9.652 1.931 -3.754 413 HG3 PRO 55 1HG PRO 55 8.163 2.880 -3.620 414 HD2 PRO 55 2HD PRO 55 10.988 3.796 -3.821 415 HD3 PRO 55 1HD PRO 55 9.503 4.542 -4.449 416 H THR 56 H THR 56 10.860 5.882 -0.135 417 HA THR 56 HA THR 56 12.751 4.063 1.246 418 HB THR 56 HB THR 56 13.907 6.576 1.311 419 HG1 THR 56 1HG THR 56 12.695 6.258 -1.232 420 HG21 THR 56 3HG2 THR 56 14.290 4.534 -0.865 421 HG22 THR 56 1HG2 THR 56 15.053 4.496 0.724 422 HG23 THR 56 2HG2 THR 56 15.425 5.802 -0.402 423 H THR 57 H THR 57 10.916 7.215 1.513 424 HA THR 57 HA THR 57 11.473 7.698 4.205 425 HB THR 57 HB THR 57 10.478 9.382 2.770 426 HG1 THR 57 1HG THR 57 9.998 9.561 4.976 427 HG21 THR 57 3HG2 THR 57 7.835 7.991 2.848 428 HG22 THR 57 1HG2 THR 57 8.982 7.673 1.547 429 HG23 THR 57 2HG2 THR 57 8.378 9.309 1.809 430 H GLY 58 H GLY 58 9.469 5.292 2.760 431 HA2 GLY 58 2HA GLY 58 8.900 3.468 4.401 432 HA3 GLY 58 1HA GLY 58 8.277 4.757 5.402 433 H HIS 59 H HIS 59 7.589 3.036 2.257 434 HA HIS 59 HA HIS 59 5.099 4.451 2.045 435 HB2 HIS 59 2HB HIS 59 6.652 2.653 0.370 436 HB3 HIS 59 1HB HIS 59 4.936 2.251 0.343 437 HD1 HIS 59 1HD HIS 59 6.758 5.595 0.321 438 HD2 HIS 59 2HD HIS 59 3.869 3.502 -1.825 439 HE1 HIS 59 1HE HIS 59 5.988 7.170 -1.479 440 HE2 HIS 59 2HE HIS 59 4.185 5.911 -2.714 441 H ARG 60 H ARG 60 3.243 3.951 2.815 442 HA ARG 60 HA ARG 60 2.809 1.322 4.067 443 HB2 ARG 60 2HB ARG 60 1.434 2.566 5.752 444 HB3 ARG 60 1HB ARG 60 3.103 3.073 5.700 445 HG2 ARG 60 2HG ARG 60 1.116 4.597 4.094 446 HG3 ARG 60 1HG ARG 60 1.226 4.852 5.838 447 HD2 ARG 60 2HD ARG 60 3.859 4.868 4.998 448 HD3 ARG 60 1HD ARG 60 3.003 5.731 3.721 449 HE ARG 60 HE ARG 60 2.018 6.936 5.866 450 HH11 ARG 60 1HH1 ARG 60 5.319 6.084 5.109 451 HH12 ARG 60 2HH1 ARG 60 5.995 7.391 6.021 452 HH21 ARG 60 1HH2 ARG 60 2.910 8.655 7.062 453 HH22 ARG 60 2HH2 ARG 60 4.629 8.848 7.128 454 H LEU 61 H LEU 61 0.249 0.823 4.140 455 HA LEU 61 HA LEU 61 -0.855 1.601 1.524 456 HB2 LEU 61 2HB LEU 61 -0.782 -0.988 2.994 457 HB3 LEU 61 1HB LEU 61 -2.135 -0.689 1.933 458 HG LEU 61 HG LEU 61 0.042 -1.941 1.093 459 HD11 LEU 61 1HD1 LEU 61 -1.884 -0.197 -0.274 460 HD12 LEU 61 2HD1 LEU 61 -1.448 -1.882 -0.577 461 HD13 LEU 61 3HD1 LEU 61 -0.426 -0.584 -1.182 462 HD21 LEU 61 3HD2 LEU 61 1.475 0.016 1.699 463 HD22 LEU 61 1HD2 LEU 61 0.694 0.895 0.382 464 HD23 LEU 61 2HD2 LEU 61 1.630 -0.559 0.036 465 H CYS 62 H CYS 62 -3.453 1.573 1.348 466 HA CYS 62 HA CYS 62 -4.464 2.623 3.865 467 HB2 CYS 62 2HB CYS 62 -5.844 4.141 2.656 468 HB3 CYS 62 1HB CYS 62 -4.288 4.145 1.899 469 H SER 63 H SER 63 -6.661 2.461 4.468 470 HA SER 63 HA SER 63 -7.497 0.345 5.522 471 HB2 SER 63 2HB SER 63 -8.634 2.815 4.728 472 HB3 SER 63 1HB SER 63 -9.879 1.593 4.536 473 HG SER 63 HG SER 63 -10.091 1.882 6.621 474 H VAL 64 H VAL 64 -9.646 1.127 3.037 475 HA VAL 64 HA VAL 64 -11.038 -1.167 2.876 476 HB VAL 64 HB VAL 64 -11.946 -0.230 0.736 477 HG11 VAL 64 1HG1 VAL 64 -13.026 1.552 1.857 478 HG12 VAL 64 2HG1 VAL 64 -11.631 1.841 2.901 479 HG13 VAL 64 3HG1 VAL 64 -12.620 0.394 3.124 480 HG21 VAL 64 3HG2 VAL 64 -10.010 0.790 -0.189 481 HG22 VAL 64 1HG2 VAL 64 -9.715 1.727 1.278 482 HG23 VAL 64 2HG2 VAL 64 -11.105 2.099 0.256 483 H HIS 65 H HIS 65 -8.273 -2.045 2.315 484 HA HIS 65 HA HIS 65 -8.666 -3.200 -0.385 485 HB2 HIS 65 2HB HIS 65 -6.179 -3.712 1.165 486 HB3 HIS 65 1HB HIS 65 -6.415 -3.614 -0.572 487 HD1 HIS 65 1HD HIS 65 -8.055 -0.767 0.201 488 HD2 HIS 65 2HD HIS 65 -4.121 -1.867 0.624 489 HE1 HIS 65 1HE HIS 65 -6.835 1.357 0.587 490 H PHE 66 H PHE 66 -7.685 -4.501 2.880 491 HA PHE 66 HA PHE 66 -7.866 -7.150 2.006 492 HB2 PHE 66 2HB PHE 66 -8.189 -6.336 4.894 493 HB3 PHE 66 1HB PHE 66 -7.365 -7.745 4.237 494 HD1 PHE 66 2HD PHE 66 -7.095 -4.127 4.874 495 HD2 PHE 66 1HD PHE 66 -5.092 -7.627 3.496 496 HE1 PHE 66 2HE PHE 66 -4.942 -2.944 5.002 497 HE2 PHE 66 1HE PHE 66 -2.936 -6.448 3.629 498 HZ PHE 66 HZ PHE 66 -2.855 -4.097 4.371 499 H GLN 67 H GLN 67 -9.548 -8.787 3.158 500 HA GLN 67 HA GLN 67 -12.143 -7.557 2.771 501 HB2 GLN 67 2HB GLN 67 -11.548 -9.683 1.583 502 HB3 GLN 67 1HB GLN 67 -11.486 -10.495 3.140 503 HG2 GLN 67 2HG GLN 67 -13.968 -9.027 2.517 504 HG3 GLN 67 1HG GLN 67 -13.645 -10.480 1.572 505 HE21 GLN 67 1HE2 GLN 67 -15.205 -11.758 2.431 506 HE22 GLN 67 2HE2 GLN 67 -15.231 -12.274 4.079 507 H GLY 68 H GLY 68 -13.863 -7.795 4.688 508 HA2 GLY 68 2HA GLY 68 -14.396 -7.863 6.895 509 HA3 GLY 68 1HA GLY 68 -13.299 -9.225 7.015 510 H GLY 69 H GLY 69 -10.835 -8.514 7.163 511 HA2 GLY 69 2HA GLY 69 -9.707 -6.223 7.747 512 HA3 GLY 69 1HA GLY 69 -10.739 -6.376 9.159 513 H ARG 70 H ARG 70 -7.741 -6.405 8.707 514 HA ARG 70 HA ARG 70 -6.023 -7.249 9.946 515 HB2 ARG 70 2HB ARG 70 -6.470 -8.390 11.825 516 HB3 ARG 70 1HB ARG 70 -8.154 -8.166 11.383 517 HG2 ARG 70 2HG ARG 70 -8.024 -10.393 10.206 518 HG3 ARG 70 1HG ARG 70 -6.444 -10.603 10.959 519 HD2 ARG 70 2HD ARG 70 -8.195 -9.803 13.007 520 HD3 ARG 70 1HD ARG 70 -9.051 -11.028 12.072 521 HE ARG 70 HE ARG 70 -6.564 -12.081 12.462 522 HH11 ARG 70 1HH1 ARG 70 -9.070 -10.861 14.561 523 HH12 ARG 70 2HH1 ARG 70 -8.653 -11.907 15.875 524 HH21 ARG 70 1HH2 ARG 70 -6.012 -13.456 14.189 525 HH22 ARG 70 2HH2 ARG 70 -6.915 -13.381 15.665 526 H LYS 71 H LYS 71 -7.099 -8.223 7.219 527 HA LYS 71 HA LYS 71 -6.365 -9.599 5.559 528 HB2 LYS 71 2HB LYS 71 -4.084 -9.696 7.498 529 HB3 LYS 71 1HB LYS 71 -4.077 -10.757 6.097 530 HG2 LYS 71 2HG LYS 71 -3.999 -8.964 4.595 531 HG3 LYS 71 1HG LYS 71 -4.479 -7.803 5.833 532 HD2 LYS 71 2HD LYS 71 -1.942 -9.358 6.135 533 HD3 LYS 71 1HD LYS 71 -1.991 -7.933 5.094 534 HE2 LYS 71 2HE LYS 71 -3.255 -7.409 7.639 535 HE3 LYS 71 1HE LYS 71 -1.606 -7.998 7.857 536 HZ1 LYS 71 3HZ LYS 71 -0.829 -6.272 6.355 537 HZ2 LYS 71 1HZ LYS 71 -1.666 -5.594 7.660 538 HZ3 LYS 71 2HZ LYS 71 -2.409 -5.707 6.145 539 H THR 72 H THR 72 -7.457 -11.403 5.122 540 HA THR 72 HA THR 72 -6.864 -13.902 6.259 541 HB THR 72 HB THR 72 -8.020 -12.927 8.224 542 HG1 THR 72 1HG THR 72 -8.206 -15.114 8.048 543 HG21 THR 72 3HG2 THR 72 -9.922 -12.076 6.273 544 HG22 THR 72 1HG2 THR 72 -9.838 -11.695 7.995 545 HG23 THR 72 2HG2 THR 72 -10.708 -13.129 7.451 546 H TYR 73 H TYR 73 -9.066 -15.363 5.923 547 HA TYR 73 HA TYR 73 -10.509 -16.294 4.446 548 HB2 TYR 73 2HB TYR 73 -10.785 -13.473 3.941 549 HB3 TYR 73 1HB TYR 73 -10.948 -14.374 2.437 550 HD1 TYR 73 1HD TYR 73 -12.664 -16.212 2.303 551 HD2 TYR 73 2HD TYR 73 -12.529 -13.444 5.532 552 HE1 TYR 73 1HE TYR 73 -14.984 -16.786 2.883 553 HE2 TYR 73 2HE TYR 73 -14.849 -14.011 6.122 554 HH TYR 73 HH TYR 73 -16.923 -14.998 4.696 555 H THR 74 H THR 74 -8.293 -14.192 2.611 556 HA THR 74 HA THR 74 -6.900 -16.344 1.424 557 HB THR 74 HB THR 74 -8.151 -15.158 -0.871 558 HG1 THR 74 1HG THR 74 -10.046 -16.576 0.645 559 HG21 THR 74 3HG2 THR 74 -8.104 -17.240 -1.668 560 HG22 THR 74 1HG2 THR 74 -8.883 -17.917 -0.237 561 HG23 THR 74 2HG2 THR 74 -7.147 -17.601 -0.232 562 H VAL 75 H VAL 75 -7.868 -13.001 1.374 563 HA VAL 75 HA VAL 75 -5.768 -12.188 -0.390 564 HB VAL 75 HB VAL 75 -7.012 -10.074 1.247 565 HG11 VAL 75 1HG1 VAL 75 -7.332 -9.103 -1.007 566 HG12 VAL 75 2HG1 VAL 75 -6.705 -10.597 -1.710 567 HG13 VAL 75 3HG1 VAL 75 -5.662 -9.585 -0.707 568 HG21 VAL 75 3HG2 VAL 75 -8.986 -11.313 1.222 569 HG22 VAL 75 1HG2 VAL 75 -8.659 -11.986 -0.375 570 HG23 VAL 75 2HG2 VAL 75 -9.127 -10.293 -0.211 571 H ARG 76 H ARG 76 -3.708 -11.919 0.146 572 HA ARG 76 HA ARG 76 -3.054 -11.255 2.943 573 HB2 ARG 76 2HB ARG 76 -0.676 -12.099 1.877 574 HB3 ARG 76 1HB ARG 76 -1.774 -13.102 2.810 575 HG2 ARG 76 2HG ARG 76 -2.445 -14.296 1.001 576 HG3 ARG 76 1HG ARG 76 -2.245 -12.938 -0.110 577 HD2 ARG 76 2HD ARG 76 0.322 -13.503 0.825 578 HD3 ARG 76 1HD ARG 76 -0.417 -15.076 0.528 579 HE ARG 76 HE ARG 76 -1.018 -13.709 -1.714 580 HH11 ARG 76 1HH1 ARG 76 1.978 -14.221 0.002 581 HH12 ARG 76 2HH1 ARG 76 2.957 -14.118 -1.423 582 HH21 ARG 76 1HH2 ARG 76 0.268 -13.574 -3.588 583 HH22 ARG 76 2HH2 ARG 76 1.987 -13.750 -3.461 584 H VAL 77 H VAL 77 -2.181 -10.596 -0.437 585 HA VAL 77 HA VAL 77 -0.677 -8.234 0.400 586 HB VAL 77 HB VAL 77 0.496 -8.371 -1.586 587 HG11 VAL 77 1HG1 VAL 77 1.114 -10.518 -1.984 588 HG12 VAL 77 2HG1 VAL 77 -0.544 -11.116 -2.002 589 HG13 VAL 77 3HG1 VAL 77 0.241 -10.738 -0.469 590 HG21 VAL 77 3HG2 VAL 77 -1.340 -7.767 -3.015 591 HG22 VAL 77 1HG2 VAL 77 -2.002 -9.399 -2.919 592 HG23 VAL 77 2HG2 VAL 77 -0.459 -9.117 -3.727 593 HA PRO 78 HA PRO 78 -4.340 -5.679 -0.097 594 HB2 PRO 78 2HB PRO 78 -2.203 -3.683 -0.679 595 HB3 PRO 78 1HB PRO 78 -3.628 -3.525 0.348 596 HG2 PRO 78 2HG PRO 78 -1.333 -3.943 1.512 597 HG3 PRO 78 1HG PRO 78 -2.696 -4.977 1.996 598 HD2 PRO 78 2HD PRO 78 -0.475 -5.569 0.082 599 HD3 PRO 78 1HD PRO 78 -1.079 -6.582 1.410 600 H THR 79 H THR 79 -3.642 -7.062 -2.701 601 HA THR 79 HA THR 79 -4.056 -4.607 -4.262 602 HB THR 79 HB THR 79 -3.933 -6.907 -5.971 603 HG1 THR 79 1HG THR 79 -2.784 -8.088 -4.598 604 HG21 THR 79 3HG2 THR 79 -2.464 -4.409 -5.605 605 HG22 THR 79 1HG2 THR 79 -3.013 -5.204 -7.080 606 HG23 THR 79 2HG2 THR 79 -1.523 -5.729 -6.293 607 H ILE 80 H ILE 80 -6.058 -4.096 -4.262 608 HA ILE 80 HA ILE 80 -8.043 -6.069 -5.165 609 HB ILE 80 HB ILE 80 -8.082 -4.628 -2.671 610 HG12 ILE 80 2HG1 ILE 80 -10.493 -5.924 -2.815 611 HG13 ILE 80 1HG1 ILE 80 -9.537 -6.800 -4.008 612 HG21 ILE 80 1HG2 ILE 80 -9.210 -2.783 -3.538 613 HG22 ILE 80 2HG2 ILE 80 -10.481 -3.796 -2.854 614 HG23 ILE 80 3HG2 ILE 80 -10.213 -3.774 -4.598 615 HD11 ILE 80 3HD1 ILE 80 -8.005 -6.405 -1.619 616 HD12 ILE 80 1HD1 ILE 80 -8.490 -7.907 -2.407 617 HD13 ILE 80 2HD1 ILE 80 -9.564 -7.140 -1.234 618 H PHE 81 H PHE 81 -7.984 -5.347 -7.379 619 HA PHE 81 HA PHE 81 -9.207 -2.798 -7.852 620 HB2 PHE 81 2HB PHE 81 -6.525 -2.915 -9.171 621 HB3 PHE 81 1HB PHE 81 -7.485 -1.519 -8.723 622 HD1 PHE 81 2HD PHE 81 -7.685 -1.203 -6.033 623 HD2 PHE 81 1HD PHE 81 -4.536 -3.233 -8.060 624 HE1 PHE 81 2HE PHE 81 -6.237 -0.887 -4.088 625 HE2 PHE 81 1HE PHE 81 -3.071 -2.881 -6.113 626 HZ PHE 81 HZ PHE 81 -3.932 -1.731 -4.093 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 11.477 16.287 -4.036 2 H2 GLY 1 2HT GLY 1 10.553 16.357 -2.621 3 H3 GLY 1 3HT GLY 1 11.136 17.783 -3.321 4 HA2 GLY 1 1HA GLY 1 9.511 17.898 -4.841 5 HA3 GLY 1 2HA GLY 1 9.518 16.156 -5.080 6 H SER 2 H SER 2 7.377 15.717 -4.913 7 HA SER 2 HA SER 2 5.794 16.834 -2.766 8 HB2 SER 2 2HB SER 2 3.967 15.421 -3.782 9 HB3 SER 2 1HB SER 2 4.684 16.602 -4.878 10 HG SER 2 HG SER 2 5.336 13.842 -4.739 11 HA PRO 3 HA PRO 3 6.958 13.291 -0.208 12 HB2 PRO 3 2HB PRO 3 6.042 14.280 2.122 13 HB3 PRO 3 1HB PRO 3 7.549 14.843 1.391 14 HG2 PRO 3 2HG PRO 3 4.835 16.104 1.344 15 HG3 PRO 3 1HG PRO 3 6.416 16.863 1.600 16 HD2 PRO 3 2HD PRO 3 5.106 16.901 -0.792 17 HD3 PRO 3 1HD PRO 3 6.874 16.957 -0.646 18 H GLY 4 H GLY 4 4.865 12.669 -1.767 19 HA2 GLY 4 2HA GLY 4 2.732 11.938 0.133 20 HA3 GLY 4 1HA GLY 4 2.425 12.322 -1.557 21 H PHE 5 H PHE 5 1.328 9.984 -1.042 22 HA PHE 5 HA PHE 5 2.274 8.156 -2.666 23 HB2 PHE 5 2HB PHE 5 3.490 6.489 -1.478 24 HB3 PHE 5 1HB PHE 5 4.396 7.994 -1.554 25 HD1 PHE 5 1HD PHE 5 2.157 6.045 0.665 26 HD2 PHE 5 2HD PHE 5 5.256 8.938 0.374 27 HE1 PHE 5 1HE PHE 5 2.410 6.019 3.118 28 HE2 PHE 5 2HE PHE 5 5.519 8.921 2.821 29 HZ PHE 5 HZ PHE 5 4.092 7.457 4.197 30 H THR 6 H THR 6 0.057 9.086 -0.654 31 HA THR 6 HA THR 6 -1.205 7.268 0.802 32 HB THR 6 HB THR 6 -2.979 8.157 -1.270 33 HG1 THR 6 1HG THR 6 -2.609 10.331 -1.020 34 HG21 THR 6 3HG2 THR 6 -4.346 8.829 0.352 35 HG22 THR 6 1HG2 THR 6 -3.039 9.451 1.349 36 HG23 THR 6 2HG2 THR 6 -3.364 7.719 1.310 37 H CYS 7 H CYS 7 0.112 5.381 -0.091 38 HA CYS 7 HA CYS 7 0.125 3.320 -1.049 39 HB2 CYS 7 2HB CYS 7 -1.683 2.844 0.337 40 HB3 CYS 7 1HB CYS 7 -2.742 3.962 -0.501 41 H CYS 8 H CYS 8 -0.230 5.862 -2.840 42 HA CYS 8 HA CYS 8 -1.013 6.352 -5.009 43 HB2 CYS 8 2HB CYS 8 1.429 5.545 -4.977 44 HB3 CYS 8 1HB CYS 8 0.799 4.057 -5.656 45 HG CYS 8 HG CYS 8 1.292 6.597 -7.182 46 H VAL 9 H VAL 9 -3.066 5.458 -4.301 47 HA VAL 9 HA VAL 9 -3.786 2.924 -5.522 48 HB VAL 9 HB VAL 9 -5.084 2.673 -3.749 49 HG11 VAL 9 1HG1 VAL 9 -4.645 3.865 -1.819 50 HG12 VAL 9 2HG1 VAL 9 -4.236 5.313 -2.723 51 HG13 VAL 9 3HG1 VAL 9 -3.179 3.923 -2.781 52 HG21 VAL 9 3HG2 VAL 9 -6.866 4.217 -3.083 53 HG22 VAL 9 1HG2 VAL 9 -6.898 3.879 -4.811 54 HG23 VAL 9 2HG2 VAL 9 -6.238 5.405 -4.226 55 HA PRO 10 HA PRO 10 -6.030 5.115 -8.682 56 HB2 PRO 10 2HB PRO 10 -6.649 3.016 -10.198 57 HB3 PRO 10 1HB PRO 10 -4.973 3.560 -10.050 58 HG2 PRO 10 2HG PRO 10 -6.330 1.229 -8.781 59 HG3 PRO 10 1HG PRO 10 -4.664 1.380 -9.366 60 HD2 PRO 10 2HD PRO 10 -5.525 1.640 -6.701 61 HD3 PRO 10 1HD PRO 10 -3.938 2.105 -7.345 62 H GLY 11 H GLY 11 -7.290 3.105 -6.265 63 HA2 GLY 11 2HA GLY 11 -9.974 3.976 -6.934 64 HA3 GLY 11 1HA GLY 11 -9.724 2.247 -6.966 65 H CYS 12 H CYS 12 -7.915 2.292 -4.513 66 HA CYS 12 HA CYS 12 -10.017 1.929 -2.719 67 HB2 CYS 12 2HB CYS 12 -7.952 2.225 -0.949 68 HB3 CYS 12 1HB CYS 12 -8.453 0.736 -1.714 69 H TYR 13 H TYR 13 -9.449 2.988 -0.298 70 HA TYR 13 HA TYR 13 -10.947 5.254 -0.232 71 HB2 TYR 13 2HB TYR 13 -9.910 3.530 1.604 72 HB3 TYR 13 1HB TYR 13 -9.165 5.062 2.035 73 HD1 TYR 13 1HD TYR 13 -12.545 3.808 1.035 74 HD2 TYR 13 2HD TYR 13 -10.270 6.348 3.582 75 HE1 TYR 13 1HE TYR 13 -14.607 4.500 2.182 76 HE2 TYR 13 2HE TYR 13 -12.327 7.045 4.734 77 HH TYR 13 HH TYR 13 -15.059 7.029 3.796 78 H ASN 14 H ASN 14 -7.443 5.045 -0.107 79 HA ASN 14 HA ASN 14 -7.226 7.960 -0.355 80 HB2 ASN 14 2HB ASN 14 -4.822 7.040 0.553 81 HB3 ASN 14 1HB ASN 14 -5.948 8.048 1.413 82 HD21 ASN 14 1HD2 ASN 14 -7.727 5.449 1.466 83 HD22 ASN 14 2HD2 ASN 14 -7.035 4.512 2.729 84 H ASN 15 H ASN 15 -5.102 8.821 -1.491 85 HA ASN 15 HA ASN 15 -4.005 6.694 -3.091 86 HB2 ASN 15 2HB ASN 15 -5.765 7.451 -4.520 87 HB3 ASN 15 1HB ASN 15 -5.249 9.127 -4.354 88 HD21 ASN 15 1HD2 ASN 15 -5.475 8.704 -6.789 89 HD22 ASN 15 2HD2 ASN 15 -4.020 8.258 -7.607 90 H SER 16 H SER 16 -1.562 6.930 -3.376 91 HA SER 16 HA SER 16 0.033 8.175 -2.109 92 HB2 SER 16 2HB SER 16 1.171 6.862 -3.608 93 HB3 SER 16 1HB SER 16 0.250 7.454 -4.941 94 HG SER 16 HG SER 16 2.171 8.346 -5.283 95 H HIS 17 H HIS 17 0.793 9.930 -4.908 96 HA HIS 17 HA HIS 17 1.042 12.319 -3.416 97 HB2 HIS 17 2HB HIS 17 1.872 13.297 -5.461 98 HB3 HIS 17 1HB HIS 17 2.535 11.669 -5.293 99 HD1 HIS 17 1HD HIS 17 -0.491 10.635 -6.362 100 HD2 HIS 17 2HD HIS 17 2.393 12.935 -8.272 101 HE1 HIS 17 1HE HIS 17 -0.940 10.368 -8.821 102 HE2 HIS 17 2HE HIS 17 0.847 11.731 -9.960 103 H ARG 18 H ARG 18 -1.536 11.790 -3.004 104 HA ARG 18 HA ARG 18 -2.880 13.915 -4.473 105 HB2 ARG 18 2HB ARG 18 -3.249 11.629 -5.537 106 HB3 ARG 18 1HB ARG 18 -4.191 11.239 -4.105 107 HG2 ARG 18 2HG ARG 18 -5.831 12.791 -4.612 108 HG3 ARG 18 1HG ARG 18 -4.793 13.667 -5.742 109 HD2 ARG 18 2HD ARG 18 -4.909 11.031 -6.691 110 HD3 ARG 18 1HD ARG 18 -6.564 11.451 -6.237 111 HE ARG 18 HE ARG 18 -6.625 12.990 -7.950 112 HH11 ARG 18 1HH1 ARG 18 -3.352 11.848 -7.521 113 HH12 ARG 18 2HH1 ARG 18 -2.781 12.555 -8.995 114 HH21 ARG 18 1HH2 ARG 18 -5.872 13.922 -9.884 115 HH22 ARG 18 2HH2 ARG 18 -4.210 13.732 -10.336 116 H ASP 19 H ASP 19 -2.214 12.539 -1.493 117 HA ASP 19 HA ASP 19 -4.116 14.223 -0.206 118 HB2 ASP 19 2HB ASP 19 -5.826 12.779 -0.301 119 HB3 ASP 19 1HB ASP 19 -4.792 11.403 -0.625 120 H LYS 20 H LYS 20 -2.549 11.193 0.787 121 HA LYS 20 HA LYS 20 -1.042 10.698 2.428 122 HB2 LYS 20 2HB LYS 20 -0.554 13.676 2.411 123 HB3 LYS 20 1HB LYS 20 0.400 12.516 3.324 124 HG2 LYS 20 2HG LYS 20 1.573 11.902 1.542 125 HG3 LYS 20 1HG LYS 20 0.146 11.836 0.505 126 HD2 LYS 20 2HD LYS 20 0.730 14.565 1.175 127 HD3 LYS 20 1HD LYS 20 2.180 13.790 0.535 128 HE2 LYS 20 2HE LYS 20 1.314 14.276 -1.474 129 HE3 LYS 20 1HE LYS 20 0.261 12.891 -1.183 130 HZ1 LYS 20 3HZ LYS 20 -1.287 14.466 -1.639 131 HZ2 LYS 20 1HZ LYS 20 -0.347 15.748 -1.057 132 HZ3 LYS 20 2HZ LYS 20 -1.154 14.730 0.026 133 H ALA 21 H ALA 21 -3.870 11.957 2.976 134 HA ALA 21 HA ALA 21 -3.536 12.465 5.838 135 HB1 ALA 21 1HB ALA 21 -6.189 12.930 4.689 136 HB2 ALA 21 2HB ALA 21 -4.887 13.913 4.017 137 HB3 ALA 21 3HB ALA 21 -5.206 13.938 5.752 138 H LEU 22 H LEU 22 -5.591 10.341 3.732 139 HA LEU 22 HA LEU 22 -7.219 9.307 5.693 140 HB2 LEU 22 2HB LEU 22 -6.336 7.652 3.338 141 HB3 LEU 22 1HB LEU 22 -7.955 7.811 4.025 142 HG LEU 22 HG LEU 22 -6.625 9.455 1.972 143 HD11 LEU 22 1HD1 LEU 22 -9.265 8.250 2.529 144 HD12 LEU 22 2HD1 LEU 22 -8.352 8.356 1.026 145 HD13 LEU 22 3HD1 LEU 22 -9.248 9.751 1.607 146 HD21 LEU 22 3HD2 LEU 22 -8.553 11.160 2.756 147 HD22 LEU 22 1HD2 LEU 22 -6.843 11.329 3.129 148 HD23 LEU 22 2HD2 LEU 22 -7.928 10.607 4.308 149 H HIS 23 H HIS 23 -6.671 6.301 5.627 150 HA HIS 23 HA HIS 23 -4.609 6.392 7.635 151 HB2 HIS 23 2HB HIS 23 -7.096 5.175 7.453 152 HB3 HIS 23 1HB HIS 23 -5.976 3.841 7.242 153 HD1 HIS 23 1HD HIS 23 -3.865 4.152 9.214 154 HD2 HIS 23 2HD HIS 23 -7.749 5.361 10.058 155 HE1 HIS 23 1HE HIS 23 -4.022 4.203 11.723 156 HE2 HIS 23 2HE HIS 23 -6.414 4.829 12.208 157 H PHE 24 H PHE 24 -2.650 5.039 7.530 158 HA PHE 24 HA PHE 24 -2.353 3.493 5.061 159 HB2 PHE 24 2HB PHE 24 -0.219 5.215 6.369 160 HB3 PHE 24 1HB PHE 24 0.016 4.197 4.965 161 HD1 PHE 24 2HD PHE 24 -2.676 6.707 5.759 162 HD2 PHE 24 1HD PHE 24 0.527 5.611 3.156 163 HE1 PHE 24 2HE PHE 24 -3.192 8.599 4.279 164 HE2 PHE 24 1HE PHE 24 0.026 7.477 1.728 165 HZ PHE 24 HZ PHE 24 -1.865 8.970 2.194 166 H TYR 25 H TYR 25 -1.782 1.245 5.592 167 HA TYR 25 HA TYR 25 -1.010 0.544 8.292 168 HB2 TYR 25 2HB TYR 25 -1.544 -1.110 5.796 169 HB3 TYR 25 1HB TYR 25 -0.905 -1.819 7.265 170 HD1 TYR 25 1HD TYR 25 -3.589 0.719 6.784 171 HD2 TYR 25 2HD TYR 25 -2.542 -3.171 8.131 172 HE1 TYR 25 1HE TYR 25 -5.880 0.406 7.636 173 HE2 TYR 25 2HE TYR 25 -4.821 -3.507 8.987 174 HH TYR 25 HH TYR 25 -7.253 -2.329 8.252 175 H THR 26 H THR 26 1.120 -0.758 8.683 176 HA THR 26 HA THR 26 3.115 0.259 6.788 177 HB THR 26 HB THR 26 4.532 0.547 8.539 178 HG1 THR 26 1HG THR 26 5.160 -1.066 9.750 179 HG21 THR 26 3HG2 THR 26 3.558 0.901 10.699 180 HG22 THR 26 1HG2 THR 26 2.143 -0.057 10.261 181 HG23 THR 26 2HG2 THR 26 2.448 1.484 9.458 182 H PHE 27 H PHE 27 5.178 -1.243 6.639 183 HA PHE 27 HA PHE 27 4.148 -3.615 5.480 184 HB2 PHE 27 2HB PHE 27 6.584 -2.029 5.241 185 HB3 PHE 27 1HB PHE 27 6.701 -3.705 4.765 186 HD1 PHE 27 1HD PHE 27 3.815 -1.415 4.329 187 HD2 PHE 27 2HD PHE 27 6.997 -3.543 2.488 188 HE1 PHE 27 1HE PHE 27 2.912 -0.860 2.111 189 HE2 PHE 27 2HE PHE 27 6.106 -3.048 0.325 190 HZ PHE 27 HZ PHE 27 4.060 -1.691 0.084 191 HA PRO 28 HA PRO 28 5.568 -7.069 8.039 192 HB2 PRO 28 2HB PRO 28 6.893 -7.712 5.380 193 HB3 PRO 28 1HB PRO 28 6.126 -8.845 6.490 194 HG2 PRO 28 2HG PRO 28 4.799 -7.994 4.417 195 HG3 PRO 28 1HG PRO 28 3.984 -8.038 5.982 196 HD2 PRO 28 2HD PRO 28 4.939 -5.741 4.392 197 HD3 PRO 28 1HD PRO 28 3.594 -5.872 5.529 198 H LYS 29 H LYS 29 7.797 -8.197 8.535 199 HA LYS 29 HA LYS 29 9.849 -6.132 8.644 200 HB2 LYS 29 2HB LYS 29 10.666 -8.608 9.871 201 HB3 LYS 29 1HB LYS 29 10.411 -7.035 10.609 202 HG2 LYS 29 2HG LYS 29 8.021 -7.547 10.841 203 HG3 LYS 29 1HG LYS 29 8.309 -9.139 10.135 204 HD2 LYS 29 2HD LYS 29 10.133 -9.228 12.070 205 HD3 LYS 29 1HD LYS 29 9.011 -8.091 12.820 206 HE2 LYS 29 2HE LYS 29 7.634 -9.747 13.364 207 HE3 LYS 29 1HE LYS 29 7.540 -10.266 11.681 208 HZ1 LYS 29 3HZ LYS 29 9.956 -11.002 13.125 209 HZ2 LYS 29 1HZ LYS 29 9.050 -11.889 12.004 210 HZ3 LYS 29 2HZ LYS 29 8.535 -11.780 13.611 211 H ASP 30 H ASP 30 9.087 -8.806 6.737 212 HA ASP 30 HA ASP 30 11.825 -9.484 6.039 213 HB2 ASP 30 2HB ASP 30 9.915 -10.611 4.222 214 HB3 ASP 30 1HB ASP 30 10.890 -11.454 5.417 215 H ALA 31 H ALA 31 12.957 -8.205 4.644 216 HA ALA 31 HA ALA 31 12.088 -6.091 3.262 217 HB1 ALA 31 1HB ALA 31 14.405 -7.897 2.913 218 HB2 ALA 31 2HB ALA 31 14.329 -6.182 3.293 219 HB3 ALA 31 3HB ALA 31 14.089 -6.715 1.637 220 H GLU 32 H GLU 32 12.560 -9.204 1.389 221 HA GLU 32 HA GLU 32 11.302 -8.271 -0.937 222 HB2 GLU 32 2HB GLU 32 12.545 -10.250 -1.091 223 HB3 GLU 32 1HB GLU 32 11.700 -11.077 0.152 224 HG2 GLU 32 2HG GLU 32 10.352 -10.264 -2.400 225 HG3 GLU 32 1HG GLU 32 11.282 -11.755 -2.274 226 H LEU 33 H LEU 33 9.544 -10.429 1.470 227 HA LEU 33 HA LEU 33 7.154 -10.297 0.247 228 HB2 LEU 33 2HB LEU 33 7.768 -11.118 2.647 229 HB3 LEU 33 1HB LEU 33 7.322 -9.511 3.144 230 HG LEU 33 HG LEU 33 5.211 -10.094 3.254 231 HD11 LEU 33 1HD1 LEU 33 5.425 -11.076 0.418 232 HD12 LEU 33 2HD1 LEU 33 4.919 -9.473 0.937 233 HD13 LEU 33 3HD1 LEU 33 3.922 -10.876 1.314 234 HD21 LEU 33 3HD2 LEU 33 6.424 -12.681 2.528 235 HD22 LEU 33 1HD2 LEU 33 4.670 -12.557 2.592 236 HD23 LEU 33 2HD2 LEU 33 5.629 -12.179 4.021 237 H ARG 34 H ARG 34 8.809 -7.743 1.882 238 HA ARG 34 HA ARG 34 6.793 -5.782 1.886 239 HB2 ARG 34 2HB ARG 34 8.356 -4.640 3.017 240 HB3 ARG 34 1HB ARG 34 9.489 -5.916 2.682 241 HG2 ARG 34 2HG ARG 34 9.935 -4.641 0.483 242 HG3 ARG 34 1HG ARG 34 9.106 -3.304 1.273 243 HD2 ARG 34 2HD ARG 34 11.658 -4.671 2.044 244 HD3 ARG 34 1HD ARG 34 11.386 -2.965 1.698 245 HE ARG 34 HE ARG 34 9.861 -3.762 3.942 246 HH11 ARG 34 1HH1 ARG 34 13.138 -3.056 2.975 247 HH12 ARG 34 2HH1 ARG 34 13.634 -2.567 4.560 248 HH21 ARG 34 1HH2 ARG 34 10.512 -3.118 6.029 249 HH22 ARG 34 2HH2 ARG 34 12.143 -2.602 6.294 250 H ARG 35 H ARG 35 9.516 -6.183 -0.324 251 HA ARG 35 HA ARG 35 8.705 -4.242 -2.126 252 HB2 ARG 35 2HB ARG 35 10.278 -5.049 -3.636 253 HB3 ARG 35 1HB ARG 35 10.942 -5.491 -2.076 254 HG2 ARG 35 2HG ARG 35 11.307 -7.286 -3.575 255 HG3 ARG 35 1HG ARG 35 10.066 -7.803 -2.446 256 HD2 ARG 35 2HD ARG 35 8.553 -8.058 -4.084 257 HD3 ARG 35 1HD ARG 35 8.973 -6.509 -4.813 258 HE ARG 35 HE ARG 35 10.477 -7.584 -6.209 259 HH11 ARG 35 1HH1 ARG 35 9.155 -9.839 -3.891 260 HH12 ARG 35 2HH1 ARG 35 9.747 -11.233 -4.728 261 HH21 ARG 35 1HH2 ARG 35 11.251 -9.419 -7.306 262 HH22 ARG 35 2HH2 ARG 35 10.935 -10.997 -6.664 263 H LEU 36 H LEU 36 7.564 -7.551 -1.624 264 HA LEU 36 HA LEU 36 6.157 -7.724 -4.135 265 HB2 LEU 36 2HB LEU 36 5.604 -8.967 -1.447 266 HB3 LEU 36 1HB LEU 36 4.530 -9.200 -2.805 267 HG LEU 36 HG LEU 36 7.412 -10.060 -2.607 268 HD11 LEU 36 1HD1 LEU 36 4.793 -11.533 -2.700 269 HD12 LEU 36 2HD1 LEU 36 6.019 -11.569 -1.434 270 HD13 LEU 36 3HD1 LEU 36 6.348 -12.309 -3.002 271 HD21 LEU 36 3HD2 LEU 36 5.517 -10.063 -4.943 272 HD22 LEU 36 1HD2 LEU 36 6.931 -11.113 -4.853 273 HD23 LEU 36 2HD2 LEU 36 7.132 -9.361 -4.848 274 H TRP 37 H TRP 37 5.206 -6.351 -1.026 275 HA TRP 37 HA TRP 37 2.630 -5.619 -1.835 276 HB2 TRP 37 2HB TRP 37 4.552 -4.583 0.218 277 HB3 TRP 37 1HB TRP 37 3.008 -3.779 -0.057 278 HD1 TRP 37 HD TRP 37 3.352 -7.576 -0.271 279 HE1 TRP 37 1HE TRP 37 2.019 -8.625 1.703 280 HE3 TRP 37 3HE TRP 37 2.057 -3.315 2.140 281 HZ2 TRP 37 2HZ TRP 37 0.562 -7.683 3.982 282 HZ3 TRP 37 3HZ TRP 37 0.716 -3.438 4.190 283 HH2 TRP 37 HH TRP 37 -0.028 -5.537 5.065 284 H LEU 38 H LEU 38 5.834 -3.998 -2.168 285 HA LEU 38 HA LEU 38 5.257 -1.439 -2.973 286 HB2 LEU 38 2HB LEU 38 7.181 -3.499 -4.002 287 HB3 LEU 38 1HB LEU 38 7.059 -1.976 -4.800 288 HG LEU 38 HG LEU 38 7.712 -0.775 -2.847 289 HD11 LEU 38 1HD1 LEU 38 8.396 -2.116 -0.796 290 HD12 LEU 38 2HD1 LEU 38 7.311 -3.344 -1.439 291 HD13 LEU 38 3HD1 LEU 38 6.693 -1.741 -1.056 292 HD21 LEU 38 3HD2 LEU 38 9.708 -1.268 -3.742 293 HD22 LEU 38 1HD2 LEU 38 9.360 -2.996 -3.817 294 HD23 LEU 38 2HD2 LEU 38 9.878 -2.267 -2.296 295 H LYS 39 H LYS 39 4.932 -4.510 -4.918 296 HA LYS 39 HA LYS 39 4.035 -3.470 -7.299 297 HB2 LYS 39 2HB LYS 39 3.959 -5.994 -5.828 298 HB3 LYS 39 1HB LYS 39 2.668 -5.848 -6.988 299 HG2 LYS 39 2HG LYS 39 4.914 -6.946 -7.638 300 HG3 LYS 39 1HG LYS 39 4.116 -5.859 -8.783 301 HD2 LYS 39 2HD LYS 39 5.953 -4.528 -6.920 302 HD3 LYS 39 1HD LYS 39 6.729 -5.694 -7.992 303 HE2 LYS 39 2HE LYS 39 5.103 -4.378 -9.726 304 HE3 LYS 39 1HE LYS 39 5.512 -3.091 -8.594 305 HZ1 LYS 39 3HZ LYS 39 7.345 -2.881 -9.823 306 HZ2 LYS 39 1HZ LYS 39 7.160 -4.394 -10.560 307 HZ3 LYS 39 2HZ LYS 39 7.899 -4.275 -9.043 308 H ASN 40 H ASN 40 1.941 -4.655 -4.679 309 HA ASN 40 HA ASN 40 -0.501 -3.995 -5.830 310 HB2 ASN 40 2HB ASN 40 -0.641 -3.707 -2.943 311 HB3 ASN 40 1HB ASN 40 -1.392 -4.900 -3.996 312 HD21 ASN 40 1HD2 ASN 40 0.404 -6.486 -4.905 313 HD22 ASN 40 2HD2 ASN 40 1.402 -7.172 -3.674 314 H VAL 41 H VAL 41 1.728 -1.918 -4.278 315 HA VAL 41 HA VAL 41 -0.176 0.079 -3.589 316 HB VAL 41 HB VAL 41 2.207 -0.401 -2.561 317 HG11 VAL 41 1HG1 VAL 41 3.479 0.275 -4.529 318 HG12 VAL 41 2HG1 VAL 41 3.806 1.338 -3.166 319 HG13 VAL 41 3HG1 VAL 41 2.742 1.870 -4.464 320 HG21 VAL 41 3HG2 VAL 41 0.595 0.997 -1.511 321 HG22 VAL 41 1HG2 VAL 41 0.790 2.244 -2.741 322 HG23 VAL 41 2HG2 VAL 41 2.097 1.919 -1.606 323 H SER 42 H SER 42 1.620 -0.488 -6.545 324 HA SER 42 HA SER 42 0.203 1.143 -8.140 325 HB2 SER 42 2HB SER 42 0.321 3.246 -7.230 326 HB3 SER 42 1HB SER 42 1.862 2.946 -6.405 327 HG SER 42 HG SER 42 2.854 3.799 -8.058 328 H ARG 43 H ARG 43 3.722 2.189 -8.151 329 HA ARG 43 HA ARG 43 5.410 1.546 -9.509 330 HB2 ARG 43 2HB ARG 43 4.933 -0.781 -8.931 331 HB3 ARG 43 1HB ARG 43 3.682 -0.848 -10.161 332 HG2 ARG 43 2HG ARG 43 5.889 -1.899 -10.757 333 HG3 ARG 43 1HG ARG 43 5.244 -0.736 -11.914 334 HD2 ARG 43 2HD ARG 43 7.735 -0.593 -11.340 335 HD3 ARG 43 1HD ARG 43 6.799 0.901 -11.314 336 HE ARG 43 HE ARG 43 6.963 -0.396 -8.757 337 HH11 ARG 43 1HH1 ARG 43 8.553 1.805 -10.949 338 HH12 ARG 43 2HH1 ARG 43 9.434 2.613 -9.696 339 HH21 ARG 43 1HH2 ARG 43 8.125 0.664 -7.108 340 HH22 ARG 43 2HH2 ARG 43 9.193 1.966 -7.518 341 H ALA 44 H ALA 44 2.486 2.611 -10.451 342 HA ALA 44 HA ALA 44 2.487 2.254 -13.260 343 HB1 ALA 44 1HB ALA 44 0.633 3.076 -11.584 344 HB2 ALA 44 2HB ALA 44 0.631 3.615 -13.263 345 HB3 ALA 44 3HB ALA 44 1.262 4.672 -11.998 346 H GLY 45 H GLY 45 5.040 2.792 -13.485 347 HA2 GLY 45 2HA GLY 45 5.822 5.513 -13.178 348 HA3 GLY 45 1HA GLY 45 6.690 4.265 -14.045 349 H VAL 46 H VAL 46 3.553 5.843 -14.511 350 HA VAL 46 HA VAL 46 4.061 6.048 -17.365 351 HB VAL 46 HB VAL 46 1.880 5.252 -16.708 352 HG11 VAL 46 1HG1 VAL 46 1.602 6.152 -14.535 353 HG12 VAL 46 2HG1 VAL 46 0.302 6.816 -15.524 354 HG13 VAL 46 3HG1 VAL 46 1.705 7.809 -15.132 355 HG21 VAL 46 3HG2 VAL 46 0.650 6.456 -18.212 356 HG22 VAL 46 1HG2 VAL 46 2.267 7.029 -18.625 357 HG23 VAL 46 2HG2 VAL 46 1.218 8.010 -17.601 358 H SER 47 H SER 47 5.889 7.708 -16.340 359 HA SER 47 HA SER 47 4.811 10.339 -17.060 360 HB2 SER 47 2HB SER 47 5.393 11.434 -15.057 361 HB3 SER 47 1HB SER 47 4.641 9.934 -14.508 362 HG SER 47 HG SER 47 6.851 10.739 -13.653 363 H GLY 48 H GLY 48 7.935 8.760 -15.678 364 HA2 GLY 48 2HA GLY 48 9.359 9.203 -18.051 365 HA3 GLY 48 1HA GLY 48 9.588 10.611 -17.027 366 H CYS 49 H CYS 49 11.863 9.879 -17.187 367 HA CYS 49 HA CYS 49 12.498 7.590 -15.478 368 HB2 CYS 49 2HB CYS 49 14.435 9.267 -17.074 369 HB3 CYS 49 1HB CYS 49 14.700 7.661 -16.402 370 HG CYS 49 HG CYS 49 12.603 7.150 -18.274 371 H PHE 50 H PHE 50 11.433 9.908 -14.243 372 HA PHE 50 HA PHE 50 13.739 11.222 -12.982 373 HB2 PHE 50 2HB PHE 50 11.148 12.077 -13.682 374 HB3 PHE 50 1HB PHE 50 11.131 11.993 -11.924 375 HD1 PHE 50 2HD PHE 50 13.913 12.734 -11.291 376 HD2 PHE 50 1HD PHE 50 11.201 14.344 -14.148 377 HE1 PHE 50 2HE PHE 50 15.082 14.896 -11.177 378 HE2 PHE 50 1HE PHE 50 12.366 16.509 -14.040 379 HZ PHE 50 HZ PHE 50 14.308 16.787 -12.552 380 H SER 51 H SER 51 10.570 9.901 -11.656 381 HA SER 51 HA SER 51 11.763 8.001 -9.984 382 HB2 SER 51 2HB SER 51 11.977 9.028 -7.895 383 HB3 SER 51 1HB SER 51 12.603 10.263 -8.985 384 HG SER 51 HG SER 51 10.238 10.210 -7.517 385 H THR 52 H THR 52 10.108 7.816 -7.870 386 HA THR 52 HA THR 52 7.399 8.479 -8.435 387 HB THR 52 HB THR 52 7.652 6.803 -10.174 388 HG1 THR 52 1HG THR 52 5.704 6.297 -9.642 389 HG21 THR 52 3HG2 THR 52 8.807 5.162 -7.988 390 HG22 THR 52 1HG2 THR 52 9.289 5.301 -9.678 391 HG23 THR 52 2HG2 THR 52 7.861 4.361 -9.242 392 H PHE 53 H PHE 53 8.504 8.995 -6.103 393 HA PHE 53 HA PHE 53 8.650 8.526 -3.856 394 HB2 PHE 53 2HB PHE 53 6.466 7.696 -2.940 395 HB3 PHE 53 1HB PHE 53 6.297 9.052 -4.060 396 HD1 PHE 53 1HD PHE 53 6.069 5.322 -3.860 397 HD2 PHE 53 2HD PHE 53 4.951 8.892 -5.917 398 HE1 PHE 53 1HE PHE 53 4.506 4.044 -5.241 399 HE2 PHE 53 2HE PHE 53 3.386 7.604 -7.301 400 HZ PHE 53 HZ PHE 53 3.165 5.181 -6.969 401 H GLN 54 H GLN 54 9.834 6.439 -5.543 402 HA GLN 54 HA GLN 54 9.363 3.880 -5.221 403 HB2 GLN 54 2HB GLN 54 12.015 5.118 -4.540 404 HB3 GLN 54 1HB GLN 54 11.784 3.426 -4.919 405 HG2 GLN 54 2HG GLN 54 11.239 3.884 -7.152 406 HG3 GLN 54 1HG GLN 54 11.000 5.599 -6.830 407 HE21 GLN 54 1HE2 GLN 54 12.952 3.601 -8.370 408 HE22 GLN 54 2HE2 GLN 54 14.466 4.417 -8.210 409 HA PRO 55 HA PRO 55 8.538 3.271 -0.829 410 HB2 PRO 55 2HB PRO 55 8.473 0.424 -1.612 411 HB3 PRO 55 1HB PRO 55 7.236 1.405 -0.835 412 HG2 PRO 55 2HG PRO 55 6.960 0.679 -3.378 413 HG3 PRO 55 1HG PRO 55 6.477 2.296 -2.839 414 HD2 PRO 55 2HD PRO 55 8.990 1.450 -4.254 415 HD3 PRO 55 1HD PRO 55 7.918 2.839 -4.580 416 H THR 56 H THR 56 11.124 3.795 -1.074 417 HA THR 56 HA THR 56 12.679 1.416 -0.323 418 HB THR 56 HB THR 56 13.872 4.165 -0.423 419 HG1 THR 56 1HG THR 56 13.504 4.435 -2.464 420 HG21 THR 56 3HG2 THR 56 15.469 2.526 -0.022 421 HG22 THR 56 1HG2 THR 56 15.596 2.835 -1.753 422 HG23 THR 56 2HG2 THR 56 14.744 1.404 -1.174 423 H THR 57 H THR 57 11.749 4.702 1.006 424 HA THR 57 HA THR 57 13.119 4.324 3.456 425 HB THR 57 HB THR 57 12.519 6.540 2.651 426 HG1 THR 57 1HG THR 57 12.518 7.005 4.682 427 HG21 THR 57 3HG2 THR 57 9.669 6.191 3.394 428 HG22 THR 57 1HG2 THR 57 10.198 5.664 1.796 429 HG23 THR 57 2HG2 THR 57 10.422 7.342 2.290 430 H GLY 58 H GLY 58 9.670 3.928 2.582 431 HA2 GLY 58 2HA GLY 58 9.128 1.708 4.103 432 HA3 GLY 58 1HA GLY 58 9.023 3.036 5.232 433 H HIS 59 H HIS 59 7.594 1.985 2.045 434 HA HIS 59 HA HIS 59 5.415 3.828 2.433 435 HB2 HIS 59 2HB HIS 59 6.273 1.954 0.312 436 HB3 HIS 59 1HB HIS 59 4.550 2.248 0.422 437 HD1 HIS 59 1HD HIS 59 7.023 4.992 1.096 438 HD2 HIS 59 2HD HIS 59 4.416 3.727 -1.877 439 HE1 HIS 59 1HE HIS 59 6.903 6.891 -0.560 440 HE2 HIS 59 2HE HIS 59 5.229 6.147 -2.270 441 H ARG 60 H ARG 60 3.227 3.233 2.654 442 HA ARG 60 HA ARG 60 2.763 0.680 4.069 443 HB2 ARG 60 2HB ARG 60 1.004 2.331 5.293 444 HB3 ARG 60 1HB ARG 60 2.649 2.086 5.835 445 HG2 ARG 60 2HG ARG 60 2.022 4.282 3.911 446 HG3 ARG 60 1HG ARG 60 1.758 4.485 5.644 447 HD2 ARG 60 2HD ARG 60 4.293 3.374 5.468 448 HD3 ARG 60 1HD ARG 60 4.229 4.519 4.129 449 HE ARG 60 HE ARG 60 4.425 6.178 5.668 450 HH11 ARG 60 1HH1 ARG 60 2.980 3.423 7.248 451 HH12 ARG 60 2HH1 ARG 60 2.908 4.192 8.797 452 HH21 ARG 60 1HH2 ARG 60 4.332 7.191 7.706 453 HH22 ARG 60 2HH2 ARG 60 3.672 6.332 9.057 454 H LEU 61 H LEU 61 0.188 0.183 4.150 455 HA LEU 61 HA LEU 61 -0.880 0.745 1.455 456 HB2 LEU 61 2HB LEU 61 -1.197 -1.612 3.306 457 HB3 LEU 61 1HB LEU 61 -2.356 -1.334 2.030 458 HG LEU 61 HG LEU 61 0.407 -2.296 1.883 459 HD11 LEU 61 1HD1 LEU 61 -0.478 -4.049 0.933 460 HD12 LEU 61 2HD1 LEU 61 -1.357 -3.064 -0.232 461 HD13 LEU 61 3HD1 LEU 61 -2.040 -3.367 1.369 462 HD21 LEU 61 3HD2 LEU 61 0.717 -1.663 -0.408 463 HD22 LEU 61 1HD2 LEU 61 0.564 -0.235 0.614 464 HD23 LEU 61 2HD2 LEU 61 -0.799 -0.761 -0.371 465 H CYS 62 H CYS 62 -3.448 1.016 1.338 466 HA CYS 62 HA CYS 62 -4.318 2.132 3.891 467 HB2 CYS 62 2HB CYS 62 -5.103 4.055 2.787 468 HB3 CYS 62 1HB CYS 62 -3.640 3.642 2.012 469 H SER 63 H SER 63 -6.865 2.543 3.874 470 HA SER 63 HA SER 63 -8.213 0.748 4.905 471 HB2 SER 63 2HB SER 63 -8.809 3.179 3.542 472 HB3 SER 63 1HB SER 63 -10.132 2.062 3.254 473 HG SER 63 HG SER 63 -10.266 1.747 5.522 474 H VAL 64 H VAL 64 -9.553 1.259 1.820 475 HA VAL 64 HA VAL 64 -10.983 -1.147 1.954 476 HB VAL 64 HB VAL 64 -11.845 -0.571 -0.304 477 HG11 VAL 64 1HG1 VAL 64 -13.224 0.266 1.308 478 HG12 VAL 64 2HG1 VAL 64 -12.654 1.789 0.627 479 HG13 VAL 64 3HG1 VAL 64 -11.929 1.159 2.107 480 HG21 VAL 64 3HG2 VAL 64 -9.592 1.296 -0.091 481 HG22 VAL 64 1HG2 VAL 64 -11.100 1.995 -0.688 482 HG23 VAL 64 2HG2 VAL 64 -10.384 0.612 -1.517 483 H HIS 65 H HIS 65 -8.249 -2.021 1.773 484 HA HIS 65 HA HIS 65 -8.701 -3.799 -0.519 485 HB2 HIS 65 2HB HIS 65 -6.015 -3.591 -0.744 486 HB3 HIS 65 1HB HIS 65 -7.188 -2.726 -1.726 487 HD1 HIS 65 1HD HIS 65 -7.997 -0.443 -0.360 488 HD2 HIS 65 2HD HIS 65 -4.113 -1.856 0.083 489 HE1 HIS 65 1HE HIS 65 -6.676 1.492 0.432 490 H PHE 66 H PHE 66 -9.199 -4.493 2.047 491 HA PHE 66 HA PHE 66 -7.050 -6.444 2.538 492 HB2 PHE 66 2HB PHE 66 -8.238 -4.482 4.387 493 HB3 PHE 66 1HB PHE 66 -8.007 -6.111 5.029 494 HD1 PHE 66 2HD PHE 66 -5.639 -7.121 4.013 495 HD2 PHE 66 1HD PHE 66 -6.512 -3.068 4.965 496 HE1 PHE 66 2HE PHE 66 -3.239 -6.678 4.286 497 HE2 PHE 66 1HE PHE 66 -4.106 -2.613 5.235 498 HZ PHE 66 HZ PHE 66 -2.468 -4.422 4.889 499 H GLN 67 H GLN 67 -8.556 -8.084 1.291 500 HA GLN 67 HA GLN 67 -11.195 -8.432 2.007 501 HB2 GLN 67 2HB GLN 67 -10.932 -10.733 1.018 502 HB3 GLN 67 1HB GLN 67 -10.385 -9.417 -0.015 503 HG2 GLN 67 2HG GLN 67 -8.255 -10.443 1.655 504 HG3 GLN 67 1HG GLN 67 -8.978 -11.700 0.654 505 HE21 GLN 67 1HE2 GLN 67 -8.991 -11.413 -1.625 506 HE22 GLN 67 2HE2 GLN 67 -7.816 -10.406 -2.391 507 H GLY 68 H GLY 68 -12.188 -10.191 3.616 508 HA2 GLY 68 2HA GLY 68 -12.059 -11.609 5.411 509 HA3 GLY 68 1HA GLY 68 -10.327 -11.737 5.169 510 H GLY 69 H GLY 69 -9.032 -9.659 5.920 511 HA2 GLY 69 2HA GLY 69 -8.978 -7.751 7.348 512 HA3 GLY 69 1HA GLY 69 -10.439 -8.331 8.131 513 H ARG 70 H ARG 70 -7.608 -7.587 9.032 514 HA ARG 70 HA ARG 70 -6.448 -8.138 10.934 515 HB2 ARG 70 2HB ARG 70 -7.707 -10.870 10.957 516 HB3 ARG 70 1HB ARG 70 -6.997 -9.982 12.297 517 HG2 ARG 70 2HG ARG 70 -8.929 -8.279 11.747 518 HG3 ARG 70 1HG ARG 70 -9.679 -9.718 11.053 519 HD2 ARG 70 2HD ARG 70 -8.503 -9.774 13.807 520 HD3 ARG 70 1HD ARG 70 -10.125 -9.142 13.533 521 HE ARG 70 HE ARG 70 -10.157 -11.557 12.293 522 HH11 ARG 70 1HH1 ARG 70 -9.322 -10.509 15.516 523 HH12 ARG 70 2HH1 ARG 70 -9.809 -11.995 16.260 524 HH21 ARG 70 1HH2 ARG 70 -10.798 -13.512 13.270 525 HH22 ARG 70 2HH2 ARG 70 -10.647 -13.699 14.985 526 H LYS 71 H LYS 71 -6.426 -9.713 7.983 527 HA LYS 71 HA LYS 71 -4.893 -10.944 6.846 528 HB2 LYS 71 2HB LYS 71 -3.594 -8.871 8.130 529 HB3 LYS 71 1HB LYS 71 -2.603 -10.263 8.520 530 HG2 LYS 71 2HG LYS 71 -2.103 -10.697 6.289 531 HG3 LYS 71 1HG LYS 71 -3.456 -9.741 5.698 532 HD2 LYS 71 2HD LYS 71 -0.758 -8.875 6.598 533 HD3 LYS 71 1HD LYS 71 -1.729 -8.320 5.237 534 HE2 LYS 71 2HE LYS 71 -3.280 -7.366 7.127 535 HE3 LYS 71 1HE LYS 71 -1.811 -7.489 8.097 536 HZ1 LYS 71 3HZ LYS 71 -0.733 -5.928 6.833 537 HZ2 LYS 71 1HZ LYS 71 -2.314 -5.324 6.820 538 HZ3 LYS 71 2HZ LYS 71 -1.719 -6.164 5.479 539 H THR 72 H THR 72 -5.804 -12.929 7.573 540 HA THR 72 HA THR 72 -4.646 -14.250 9.867 541 HB THR 72 HB THR 72 -6.146 -16.101 9.289 542 HG1 THR 72 1HG THR 72 -6.906 -16.297 7.357 543 HG21 THR 72 3HG2 THR 72 -7.588 -13.475 9.020 544 HG22 THR 72 1HG2 THR 72 -7.097 -14.215 10.543 545 HG23 THR 72 2HG2 THR 72 -8.283 -15.019 9.515 546 H TYR 73 H TYR 73 -5.068 -15.492 6.554 547 HA TYR 73 HA TYR 73 -2.257 -16.031 6.276 548 HB2 TYR 73 2HB TYR 73 -3.328 -17.903 7.734 549 HB3 TYR 73 1HB TYR 73 -4.007 -18.467 6.212 550 HD1 TYR 73 2HD TYR 73 -0.863 -17.846 8.043 551 HD2 TYR 73 1HD TYR 73 -2.658 -19.594 4.603 552 HE1 TYR 73 2HE TYR 73 1.237 -19.027 7.554 553 HE2 TYR 73 1HE TYR 73 -0.561 -20.780 4.106 554 HH TYR 73 HH TYR 73 2.048 -20.255 4.745 555 H THR 74 H THR 74 -5.530 -16.577 5.072 556 HA THR 74 HA THR 74 -4.867 -17.349 2.461 557 HB THR 74 HB THR 74 -7.262 -15.877 2.300 558 HG1 THR 74 1HG THR 74 -7.379 -15.669 4.504 559 HG21 THR 74 3HG2 THR 74 -7.550 -17.841 1.269 560 HG22 THR 74 1HG2 THR 74 -8.150 -18.359 2.844 561 HG23 THR 74 2HG2 THR 74 -6.484 -18.704 2.377 562 H VAL 75 H VAL 75 -5.645 -14.144 3.773 563 HA VAL 75 HA VAL 75 -5.036 -12.803 1.292 564 HB VAL 75 HB VAL 75 -6.782 -12.132 3.037 565 HG11 VAL 75 1HG1 VAL 75 -4.702 -10.622 4.500 566 HG12 VAL 75 2HG1 VAL 75 -4.898 -12.337 4.862 567 HG13 VAL 75 3HG1 VAL 75 -6.263 -11.236 5.043 568 HG21 VAL 75 3HG2 VAL 75 -6.081 -10.591 1.202 569 HG22 VAL 75 1HG2 VAL 75 -4.906 -9.878 2.314 570 HG23 VAL 75 2HG2 VAL 75 -6.627 -9.780 2.663 571 H ARG 76 H ARG 76 -2.779 -13.203 0.826 572 HA ARG 76 HA ARG 76 -0.871 -12.563 2.920 573 HB2 ARG 76 2HB ARG 76 -0.808 -14.489 1.060 574 HB3 ARG 76 1HB ARG 76 0.064 -13.243 0.181 575 HG2 ARG 76 2HG ARG 76 1.490 -14.837 1.470 576 HG3 ARG 76 1HG ARG 76 1.757 -13.133 1.834 577 HD2 ARG 76 2HD ARG 76 0.715 -13.285 3.907 578 HD3 ARG 76 1HD ARG 76 -0.148 -14.759 3.474 579 HE ARG 76 HE ARG 76 2.553 -14.550 4.482 580 HH11 ARG 76 1HH1 ARG 76 0.215 -16.559 2.843 581 HH12 ARG 76 2HH1 ARG 76 1.013 -18.038 3.258 582 HH21 ARG 76 1HH2 ARG 76 3.602 -16.496 5.026 583 HH22 ARG 76 2HH2 ARG 76 2.934 -18.004 4.496 584 H VAL 77 H VAL 77 -1.711 -11.336 -0.337 585 HA VAL 77 HA VAL 77 -0.320 -8.856 0.432 586 HB VAL 77 HB VAL 77 0.717 -8.607 -1.645 587 HG11 VAL 77 1HG1 VAL 77 0.513 -11.602 -1.421 588 HG12 VAL 77 2HG1 VAL 77 1.633 -10.581 -0.519 589 HG13 VAL 77 3HG1 VAL 77 1.759 -10.690 -2.275 590 HG21 VAL 77 3HG2 VAL 77 0.015 -9.818 -3.691 591 HG22 VAL 77 1HG2 VAL 77 -1.204 -8.714 -3.058 592 HG23 VAL 77 2HG2 VAL 77 -1.368 -10.450 -2.795 593 HA PRO 78 HA PRO 78 -4.456 -7.135 -0.034 594 HB2 PRO 78 2HB PRO 78 -2.758 -4.692 -0.266 595 HB3 PRO 78 1HB PRO 78 -4.216 -4.942 0.689 596 HG2 PRO 78 2HG PRO 78 -1.955 -5.028 1.963 597 HG3 PRO 78 1HG PRO 78 -3.056 -6.400 2.200 598 HD2 PRO 78 2HD PRO 78 -0.710 -6.191 0.324 599 HD3 PRO 78 1HD PRO 78 -1.057 -7.450 1.546 600 H THR 79 H THR 79 -3.479 -8.116 -2.666 601 HA THR 79 HA THR 79 -4.149 -5.611 -4.043 602 HB THR 79 HB THR 79 -3.321 -8.067 -5.531 603 HG1 THR 79 1HG THR 79 -1.323 -7.917 -4.904 604 HG21 THR 79 3HG2 THR 79 -2.483 -6.596 -7.150 605 HG22 THR 79 1HG2 THR 79 -2.547 -5.217 -6.051 606 HG23 THR 79 2HG2 THR 79 -4.042 -5.924 -6.668 607 H ILE 80 H ILE 80 -6.113 -5.385 -4.168 608 HA ILE 80 HA ILE 80 -7.873 -7.393 -5.383 609 HB ILE 80 HB ILE 80 -8.420 -5.601 -3.023 610 HG12 ILE 80 2HG1 ILE 80 -7.800 -8.173 -3.002 611 HG13 ILE 80 1HG1 ILE 80 -8.984 -7.520 -1.886 612 HG21 ILE 80 1HG2 ILE 80 -10.275 -4.929 -4.152 613 HG22 ILE 80 2HG2 ILE 80 -10.894 -6.429 -3.461 614 HG23 ILE 80 3HG2 ILE 80 -10.347 -6.391 -5.137 615 HD11 ILE 80 3HD1 ILE 80 -10.655 -8.701 -2.769 616 HD12 ILE 80 1HD1 ILE 80 -9.362 -9.701 -3.432 617 HD13 ILE 80 2HD1 ILE 80 -10.101 -8.447 -4.426 618 H PHE 81 H PHE 81 -7.786 -6.411 -7.531 619 HA PHE 81 HA PHE 81 -9.417 -4.144 -7.884 620 HB2 PHE 81 2HB PHE 81 -6.759 -3.285 -8.875 621 HB3 PHE 81 1HB PHE 81 -8.067 -2.330 -8.208 622 HD1 PHE 81 2HD PHE 81 -8.268 -2.150 -5.657 623 HD2 PHE 81 1HD PHE 81 -4.872 -3.822 -7.623 624 HE1 PHE 81 2HE PHE 81 -6.955 -1.895 -3.599 625 HE2 PHE 81 1HE PHE 81 -3.540 -3.518 -5.578 626 HZ PHE 81 HZ PHE 81 -4.599 -2.596 -3.518 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 5.306 19.856 -0.701 2 H2 GLY 1 2HT GLY 1 4.116 20.433 -1.756 3 H3 GLY 1 3HT GLY 1 4.485 18.783 -1.720 4 HA2 GLY 1 1HA GLY 1 3.069 20.391 0.316 5 HA3 GLY 1 2HA GLY 1 2.489 18.969 -0.535 6 H SER 2 H SER 2 2.534 17.129 0.560 7 HA SER 2 HA SER 2 4.261 16.964 2.933 8 HB2 SER 2 2HB SER 2 2.521 14.860 3.163 9 HB3 SER 2 1HB SER 2 2.269 16.451 3.880 10 HG SER 2 HG SER 2 0.732 15.261 2.148 11 HA PRO 3 HA PRO 3 6.620 13.603 1.330 12 HB2 PRO 3 2HB PRO 3 6.686 11.789 3.348 13 HB3 PRO 3 1HB PRO 3 7.559 13.325 3.409 14 HG2 PRO 3 2HG PRO 3 4.923 12.594 4.632 15 HG3 PRO 3 1HG PRO 3 6.275 13.496 5.345 16 HD2 PRO 3 2HD PRO 3 4.081 14.721 4.353 17 HD3 PRO 3 1HD PRO 3 5.695 15.456 4.273 18 H GLY 4 H GLY 4 4.269 13.386 0.077 19 HA2 GLY 4 2HA GLY 4 2.642 11.192 0.582 20 HA3 GLY 4 1HA GLY 4 2.898 11.911 -1.004 21 H PHE 5 H PHE 5 2.520 9.315 -1.307 22 HA PHE 5 HA PHE 5 5.154 8.271 -1.923 23 HB2 PHE 5 2HB PHE 5 3.302 6.741 -0.096 24 HB3 PHE 5 1HB PHE 5 4.853 6.186 -0.693 25 HD1 PHE 5 1HD PHE 5 6.907 7.647 -0.073 26 HD2 PHE 5 2HD PHE 5 3.157 7.811 1.935 27 HE1 PHE 5 1HE PHE 5 8.005 8.642 1.894 28 HE2 PHE 5 2HE PHE 5 4.248 8.807 3.902 29 HZ PHE 5 HZ PHE 5 6.676 9.225 3.883 30 H THR 6 H THR 6 1.666 7.751 -1.998 31 HA THR 6 HA THR 6 0.347 7.233 -3.841 32 HB THR 6 HB THR 6 2.657 5.834 -5.164 33 HG1 THR 6 1HG THR 6 2.047 8.568 -5.537 34 HG21 THR 6 3HG2 THR 6 1.213 7.210 -7.054 35 HG22 THR 6 1HG2 THR 6 -0.022 6.624 -5.940 36 HG23 THR 6 2HG2 THR 6 1.091 5.487 -6.698 37 H CYS 7 H CYS 7 -1.038 5.741 -3.110 38 HA CYS 7 HA CYS 7 -0.075 3.125 -2.249 39 HB2 CYS 7 2HB CYS 7 -1.906 2.978 -0.886 40 HB3 CYS 7 1HB CYS 7 -2.020 4.713 -1.132 41 H CYS 8 H CYS 8 -0.425 4.282 -5.121 42 HA CYS 8 HA CYS 8 -1.169 3.583 -7.166 43 HB2 CYS 8 2HB CYS 8 0.447 1.867 -6.870 44 HB3 CYS 8 1HB CYS 8 -0.545 1.007 -5.708 45 HG CYS 8 HG CYS 8 -1.787 1.053 -8.485 46 H VAL 9 H VAL 9 -3.083 4.508 -5.727 47 HA VAL 9 HA VAL 9 -5.217 2.647 -5.308 48 HB VAL 9 HB VAL 9 -4.528 4.777 -3.944 49 HG11 VAL 9 1HG1 VAL 9 -6.680 6.025 -5.558 50 HG12 VAL 9 2HG1 VAL 9 -4.977 6.262 -5.954 51 HG13 VAL 9 3HG1 VAL 9 -5.595 6.745 -4.373 52 HG21 VAL 9 3HG2 VAL 9 -6.763 4.923 -3.055 53 HG22 VAL 9 1HG2 VAL 9 -6.237 3.261 -3.325 54 HG23 VAL 9 2HG2 VAL 9 -7.374 4.015 -4.446 55 HA PRO 10 HA PRO 10 -6.785 3.513 -9.479 56 HB2 PRO 10 2HB PRO 10 -8.012 1.180 -9.859 57 HB3 PRO 10 1HB PRO 10 -6.246 1.280 -9.917 58 HG2 PRO 10 2HG PRO 10 -8.015 0.353 -7.682 59 HG3 PRO 10 1HG PRO 10 -6.519 -0.374 -8.297 60 HD2 PRO 10 2HD PRO 10 -6.645 1.245 -6.078 61 HD3 PRO 10 1HD PRO 10 -5.197 1.029 -7.081 62 H GLY 11 H GLY 11 -8.495 2.079 -6.741 63 HA2 GLY 11 2HA GLY 11 -10.669 3.964 -7.044 64 HA3 GLY 11 1HA GLY 11 -11.108 2.285 -7.317 65 H CYS 12 H CYS 12 -8.600 2.560 -5.037 66 HA CYS 12 HA CYS 12 -10.186 1.526 -2.951 67 HB2 CYS 12 2HB CYS 12 -8.168 1.058 -2.050 68 HB3 CYS 12 1HB CYS 12 -7.421 1.888 -3.413 69 H TYR 13 H TYR 13 -9.384 3.002 -0.675 70 HA TYR 13 HA TYR 13 -11.304 5.123 -0.703 71 HB2 TYR 13 2HB TYR 13 -10.716 3.265 1.102 72 HB3 TYR 13 1HB TYR 13 -9.715 4.570 1.697 73 HD1 TYR 13 2HD TYR 13 -11.804 6.715 0.599 74 HD2 TYR 13 1HD TYR 13 -12.061 3.314 3.143 75 HE1 TYR 13 2HE TYR 13 -13.774 7.695 1.701 76 HE2 TYR 13 1HE TYR 13 -14.030 4.282 4.252 77 HH TYR 13 HH TYR 13 -15.139 6.326 4.585 78 H ASN 14 H ASN 14 -7.942 4.843 0.306 79 HA ASN 14 HA ASN 14 -7.557 7.724 -0.100 80 HB2 ASN 14 2HB ASN 14 -5.627 6.617 1.701 81 HB3 ASN 14 1HB ASN 14 -6.776 7.919 1.983 82 HD21 ASN 14 1HD2 ASN 14 -9.159 6.782 1.959 83 HD22 ASN 14 2HD2 ASN 14 -9.303 5.503 3.114 84 H ASN 15 H ASN 15 -5.248 8.433 -0.726 85 HA ASN 15 HA ASN 15 -3.938 6.228 -2.167 86 HB2 ASN 15 2HB ASN 15 -4.813 8.316 -3.451 87 HB3 ASN 15 1HB ASN 15 -3.428 9.144 -2.747 88 HD21 ASN 15 1HD2 ASN 15 -4.203 8.267 -5.543 89 HD22 ASN 15 2HD2 ASN 15 -2.794 7.457 -6.128 90 H SER 16 H SER 16 -1.329 6.574 -2.223 91 HA SER 16 HA SER 16 -0.635 7.146 0.502 92 HB2 SER 16 2HB SER 16 0.024 4.961 -0.766 93 HB3 SER 16 1HB SER 16 1.219 5.912 -1.571 94 HG SER 16 HG SER 16 1.587 6.534 0.895 95 H HIS 17 H HIS 17 -0.887 9.172 -2.065 96 HA HIS 17 HA HIS 17 1.117 10.954 -0.992 97 HB2 HIS 17 2HB HIS 17 2.457 11.244 -2.867 98 HB3 HIS 17 1HB HIS 17 2.185 9.510 -2.907 99 HD1 HIS 17 1HD HIS 17 -0.555 9.417 -4.284 100 HD2 HIS 17 2HD HIS 17 2.578 11.864 -5.496 101 HE1 HIS 17 1HE HIS 17 -0.993 9.920 -6.710 102 HE2 HIS 17 2HE HIS 17 0.874 11.463 -7.401 103 H ARG 18 H ARG 18 -1.908 10.907 -1.394 104 HA ARG 18 HA ARG 18 -2.020 13.560 -2.645 105 HB2 ARG 18 2HB ARG 18 -3.619 13.056 -4.196 106 HB3 ARG 18 1HB ARG 18 -2.753 11.530 -4.154 107 HG2 ARG 18 2HG ARG 18 -4.473 10.722 -2.505 108 HG3 ARG 18 1HG ARG 18 -5.382 12.192 -2.855 109 HD2 ARG 18 2HD ARG 18 -4.696 9.931 -4.711 110 HD3 ARG 18 1HD ARG 18 -6.291 10.534 -4.262 111 HE ARG 18 HE ARG 18 -4.627 11.502 -6.359 112 HH11 ARG 18 1HH1 ARG 18 -6.987 12.502 -3.991 113 HH12 ARG 18 2HH1 ARG 18 -7.529 13.860 -4.920 114 HH21 ARG 18 1HH2 ARG 18 -5.337 13.287 -7.582 115 HH22 ARG 18 2HH2 ARG 18 -6.594 14.304 -6.959 116 H ASP 19 H ASP 19 -2.432 12.124 0.106 117 HA ASP 19 HA ASP 19 -4.350 13.999 1.091 118 HB2 ASP 19 2HB ASP 19 -5.124 11.107 1.320 119 HB3 ASP 19 1HB ASP 19 -5.993 12.493 1.954 120 H LYS 20 H LYS 20 -3.279 10.819 2.195 121 HA LYS 20 HA LYS 20 -2.052 10.198 3.999 122 HB2 LYS 20 2HB LYS 20 -0.142 11.346 4.163 123 HB3 LYS 20 1HB LYS 20 -0.845 12.535 3.084 124 HG2 LYS 20 2HG LYS 20 -1.807 13.619 5.195 125 HG3 LYS 20 1HG LYS 20 -0.661 12.606 6.076 126 HD2 LYS 20 2HD LYS 20 1.147 13.770 5.327 127 HD3 LYS 20 1HD LYS 20 0.388 14.164 3.782 128 HE2 LYS 20 2HE LYS 20 -0.102 16.187 4.557 129 HE3 LYS 20 1HE LYS 20 -1.120 15.451 5.794 130 HZ1 LYS 20 3HZ LYS 20 1.222 15.125 6.936 131 HZ2 LYS 20 1HZ LYS 20 0.336 16.555 7.114 132 HZ3 LYS 20 2HZ LYS 20 1.607 16.481 6.001 133 H ALA 21 H ALA 21 -4.805 11.780 4.173 134 HA ALA 21 HA ALA 21 -4.688 12.161 7.095 135 HB1 ALA 21 1HB ALA 21 -5.490 14.163 6.396 136 HB2 ALA 21 2HB ALA 21 -7.020 13.292 6.511 137 HB3 ALA 21 3HB ALA 21 -6.232 13.487 4.945 138 H LEU 22 H LEU 22 -5.173 9.577 5.446 139 HA LEU 22 HA LEU 22 -7.673 8.875 6.816 140 HB2 LEU 22 2HB LEU 22 -6.822 7.890 4.076 141 HB3 LEU 22 1HB LEU 22 -8.262 7.344 4.948 142 HG LEU 22 HG LEU 22 -8.839 8.949 3.258 143 HD11 LEU 22 1HD1 LEU 22 -9.685 8.951 5.857 144 HD12 LEU 22 2HD1 LEU 22 -10.432 9.858 4.541 145 HD13 LEU 22 3HD1 LEU 22 -9.262 10.643 5.600 146 HD21 LEU 22 3HD2 LEU 22 -7.829 10.852 2.877 147 HD22 LEU 22 1HD2 LEU 22 -6.499 10.167 3.811 148 HD23 LEU 22 2HD2 LEU 22 -7.664 11.249 4.585 149 H HIS 23 H HIS 23 -6.343 5.822 5.624 150 HA HIS 23 HA HIS 23 -5.010 5.579 8.205 151 HB2 HIS 23 2HB HIS 23 -7.340 4.395 7.479 152 HB3 HIS 23 1HB HIS 23 -6.187 3.154 6.996 153 HD1 HIS 23 1HD HIS 23 -8.311 3.349 9.536 154 HD2 HIS 23 2HD HIS 23 -4.156 3.373 9.578 155 HE1 HIS 23 1HE HIS 23 -7.659 2.573 11.837 156 HE2 HIS 23 2HE HIS 23 -5.139 2.592 11.840 157 H PHE 24 H PHE 24 -2.884 4.465 8.154 158 HA PHE 24 HA PHE 24 -2.168 3.360 5.539 159 HB2 PHE 24 2HB PHE 24 -0.463 5.154 7.267 160 HB3 PHE 24 1HB PHE 24 0.106 4.318 5.837 161 HD1 PHE 24 2HD PHE 24 -2.635 6.600 6.903 162 HD2 PHE 24 1HD PHE 24 0.027 5.453 3.783 163 HE1 PHE 24 2HE PHE 24 -3.503 8.406 5.469 164 HE2 PHE 24 1HE PHE 24 -0.835 7.233 2.370 165 HZ PHE 24 HZ PHE 24 -2.600 8.707 3.192 166 H TYR 25 H TYR 25 -1.647 1.084 5.836 167 HA TYR 25 HA TYR 25 -0.827 0.192 8.456 168 HB2 TYR 25 2HB TYR 25 -1.121 -1.491 5.932 169 HB3 TYR 25 1HB TYR 25 -0.994 -2.070 7.586 170 HD1 TYR 25 1HD TYR 25 -3.181 0.227 5.583 171 HD2 TYR 25 2HD TYR 25 -2.916 -2.712 8.647 172 HE1 TYR 25 1HE TYR 25 -5.626 0.253 5.811 173 HE2 TYR 25 2HE TYR 25 -5.362 -2.694 8.882 174 HH TYR 25 HH TYR 25 -7.383 -1.966 7.033 175 H THR 26 H THR 26 1.272 -1.128 8.730 176 HA THR 26 HA THR 26 3.301 0.020 6.941 177 HB THR 26 HB THR 26 4.669 0.256 8.741 178 HG1 THR 26 1HG THR 26 3.756 -2.277 9.608 179 HG21 THR 26 3HG2 THR 26 2.221 -0.437 10.344 180 HG22 THR 26 1HG2 THR 26 2.601 1.151 9.676 181 HG23 THR 26 2HG2 THR 26 3.635 0.446 10.919 182 H PHE 27 H PHE 27 5.392 -1.487 6.823 183 HA PHE 27 HA PHE 27 4.359 -3.818 5.567 184 HB2 PHE 27 2HB PHE 27 6.746 -2.188 5.323 185 HB3 PHE 27 1HB PHE 27 6.914 -3.858 4.834 186 HD1 PHE 27 2HD PHE 27 3.869 -1.833 4.543 187 HD2 PHE 27 1HD PHE 27 7.198 -3.530 2.515 188 HE1 PHE 27 2HE PHE 27 2.809 -1.337 2.399 189 HE2 PHE 27 1HE PHE 27 6.150 -3.134 0.416 190 HZ PHE 27 HZ PHE 27 3.942 -1.995 0.288 191 HA PRO 28 HA PRO 28 5.749 -7.339 8.036 192 HB2 PRO 28 2HB PRO 28 7.011 -7.937 5.336 193 HB3 PRO 28 1HB PRO 28 6.256 -9.090 6.433 194 HG2 PRO 28 2HG PRO 28 4.887 -8.171 4.417 195 HG3 PRO 28 1HG PRO 28 4.108 -8.246 5.999 196 HD2 PRO 28 2HD PRO 28 5.031 -5.923 4.442 197 HD3 PRO 28 1HD PRO 28 3.745 -6.066 5.634 198 H LYS 29 H LYS 29 7.957 -8.522 8.466 199 HA LYS 29 HA LYS 29 10.039 -6.508 8.682 200 HB2 LYS 29 2HB LYS 29 11.143 -8.741 9.765 201 HB3 LYS 29 1HB LYS 29 10.193 -7.568 10.664 202 HG2 LYS 29 2HG LYS 29 9.337 -9.653 11.274 203 HG3 LYS 29 1HG LYS 29 8.182 -9.029 10.097 204 HD2 LYS 29 2HD LYS 29 8.605 -11.341 9.605 205 HD3 LYS 29 1HD LYS 29 9.338 -10.353 8.341 206 HE2 LYS 29 2HE LYS 29 11.151 -10.867 10.558 207 HE3 LYS 29 1HE LYS 29 10.584 -12.347 9.787 208 HZ1 LYS 29 3HZ LYS 29 12.523 -11.684 8.652 209 HZ2 LYS 29 1HZ LYS 29 12.009 -10.079 8.522 210 HZ3 LYS 29 2HZ LYS 29 11.238 -11.289 7.626 211 H ASP 30 H ASP 30 9.285 -9.189 6.731 212 HA ASP 30 HA ASP 30 11.990 -9.737 5.866 213 HB2 ASP 30 2HB ASP 30 10.009 -10.763 4.046 214 HB3 ASP 30 1HB ASP 30 11.056 -11.674 5.125 215 H ALA 31 H ALA 31 13.064 -8.360 4.543 216 HA ALA 31 HA ALA 31 12.150 -6.171 3.325 217 HB1 ALA 31 1HB ALA 31 14.390 -6.235 3.332 218 HB2 ALA 31 2HB ALA 31 14.141 -6.640 1.643 219 HB3 ALA 31 3HB ALA 31 14.486 -7.914 2.820 220 H GLU 32 H GLU 32 12.634 -9.132 1.225 221 HA GLU 32 HA GLU 32 11.328 -8.011 -0.996 222 HB2 GLU 32 2HB GLU 32 12.680 -9.981 -1.206 223 HB3 GLU 32 1HB GLU 32 11.643 -10.948 -0.241 224 HG2 GLU 32 2HG GLU 32 10.392 -9.674 -2.578 225 HG3 GLU 32 1HG GLU 32 11.601 -10.911 -2.920 226 H LEU 33 H LEU 33 9.658 -10.356 1.307 227 HA LEU 33 HA LEU 33 7.261 -10.228 0.108 228 HB2 LEU 33 2HB LEU 33 7.867 -11.160 2.458 229 HB3 LEU 33 1HB LEU 33 7.414 -9.581 3.038 230 HG LEU 33 HG LEU 33 5.311 -10.210 3.133 231 HD11 LEU 33 1HD1 LEU 33 4.030 -10.836 1.114 232 HD12 LEU 33 2HD1 LEU 33 5.538 -10.861 0.206 233 HD13 LEU 33 3HD1 LEU 33 4.965 -9.359 0.923 234 HD21 LEU 33 3HD2 LEU 33 4.756 -12.596 2.246 235 HD22 LEU 33 1HD2 LEU 33 5.754 -12.369 3.683 236 HD23 LEU 33 2HD2 LEU 33 6.513 -12.713 2.128 237 H ARG 34 H ARG 34 8.857 -7.722 1.853 238 HA ARG 34 HA ARG 34 6.818 -5.803 1.991 239 HB2 ARG 34 2HB ARG 34 8.435 -4.744 3.145 240 HB3 ARG 34 1HB ARG 34 9.593 -5.915 2.592 241 HG2 ARG 34 2HG ARG 34 9.773 -4.413 0.495 242 HG3 ARG 34 1HG ARG 34 8.973 -3.205 1.492 243 HD2 ARG 34 2HD ARG 34 11.388 -4.670 2.459 244 HD3 ARG 34 1HD ARG 34 11.548 -3.273 1.401 245 HE ARG 34 HE ARG 34 10.824 -1.892 3.116 246 HH11 ARG 34 1HH1 ARG 34 10.594 -5.240 4.096 247 HH12 ARG 34 2HH1 ARG 34 10.364 -4.858 5.768 248 HH21 ARG 34 1HH2 ARG 34 10.520 -1.400 5.311 249 HH22 ARG 34 2HH2 ARG 34 10.320 -2.683 6.457 250 H ARG 35 H ARG 35 9.501 -5.991 -0.285 251 HA ARG 35 HA ARG 35 8.572 -4.017 -1.959 252 HB2 ARG 35 2HB ARG 35 10.038 -4.785 -3.660 253 HB3 ARG 35 1HB ARG 35 10.839 -5.037 -2.124 254 HG2 ARG 35 2HG ARG 35 11.360 -6.910 -3.375 255 HG3 ARG 35 1HG ARG 35 10.076 -7.468 -2.326 256 HD2 ARG 35 2HD ARG 35 8.468 -7.234 -4.145 257 HD3 ARG 35 1HD ARG 35 9.722 -6.563 -5.180 258 HE ARG 35 HE ARG 35 9.273 -9.334 -4.563 259 HH11 ARG 35 1HH1 ARG 35 11.634 -6.982 -5.603 260 HH12 ARG 35 2HH1 ARG 35 12.628 -8.152 -6.405 261 HH21 ARG 35 1HH2 ARG 35 10.579 -10.871 -5.618 262 HH22 ARG 35 2HH2 ARG 35 12.028 -10.360 -6.414 263 H LEU 36 H LEU 36 7.545 -7.378 -1.628 264 HA LEU 36 HA LEU 36 6.090 -7.462 -4.106 265 HB2 LEU 36 2HB LEU 36 5.724 -8.893 -1.506 266 HB3 LEU 36 1HB LEU 36 4.491 -9.002 -2.737 267 HG LEU 36 HG LEU 36 7.331 -9.623 -3.430 268 HD11 LEU 36 1HD1 LEU 36 6.486 -12.072 -2.956 269 HD12 LEU 36 2HD1 LEU 36 5.491 -11.250 -1.755 270 HD13 LEU 36 3HD1 LEU 36 7.247 -11.104 -1.694 271 HD21 LEU 36 3HD2 LEU 36 6.461 -10.525 -5.303 272 HD22 LEU 36 1HD2 LEU 36 5.095 -9.473 -4.929 273 HD23 LEU 36 2HD2 LEU 36 5.051 -11.173 -4.465 274 H TRP 37 H TRP 37 5.021 -6.388 -0.900 275 HA TRP 37 HA TRP 37 2.446 -5.677 -1.714 276 HB2 TRP 37 2HB TRP 37 4.303 -4.668 0.429 277 HB3 TRP 37 1HB TRP 37 2.723 -3.932 0.179 278 HD1 TRP 37 HD TRP 37 3.188 -7.680 -0.266 279 HE1 TRP 37 1HE TRP 37 1.895 -8.892 1.652 280 HE3 TRP 37 3HE TRP 37 1.877 -3.645 2.483 281 HZ2 TRP 37 2HZ TRP 37 0.476 -8.134 4.035 282 HZ3 TRP 37 3HZ TRP 37 0.611 -3.924 4.547 283 HH2 TRP 37 HH TRP 37 -0.111 -6.082 5.290 284 H LEU 38 H LEU 38 5.585 -3.902 -1.891 285 HA LEU 38 HA LEU 38 4.834 -1.357 -2.577 286 HB2 LEU 38 2HB LEU 38 6.945 -3.195 -3.520 287 HB3 LEU 38 1HB LEU 38 6.650 -1.812 -4.502 288 HG LEU 38 HG LEU 38 8.401 -1.349 -2.867 289 HD11 LEU 38 1HD1 LEU 38 7.509 0.685 -3.238 290 HD12 LEU 38 2HD1 LEU 38 6.830 0.505 -1.624 291 HD13 LEU 38 3HD1 LEU 38 5.860 0.108 -3.040 292 HD21 LEU 38 3HD2 LEU 38 8.180 -1.618 -0.614 293 HD22 LEU 38 1HD2 LEU 38 7.181 -2.955 -1.186 294 HD23 LEU 38 2HD2 LEU 38 6.424 -1.453 -0.656 295 H LYS 39 H LYS 39 4.977 -4.210 -4.841 296 HA LYS 39 HA LYS 39 3.942 -3.196 -7.074 297 HB2 LYS 39 2HB LYS 39 3.841 -5.797 -5.687 298 HB3 LYS 39 1HB LYS 39 2.667 -5.600 -6.967 299 HG2 LYS 39 2HG LYS 39 4.808 -6.683 -7.597 300 HG3 LYS 39 1HG LYS 39 4.398 -5.260 -8.567 301 HD2 LYS 39 2HD LYS 39 5.935 -3.913 -7.239 302 HD3 LYS 39 1HD LYS 39 6.290 -5.301 -6.214 303 HE2 LYS 39 2HE LYS 39 6.822 -5.169 -9.178 304 HE3 LYS 39 1HE LYS 39 8.029 -4.881 -7.925 305 HZ1 LYS 39 3HZ LYS 39 6.898 -7.372 -8.868 306 HZ2 LYS 39 1HZ LYS 39 7.049 -7.257 -7.187 307 HZ3 LYS 39 2HZ LYS 39 8.409 -7.063 -8.175 308 H ASN 40 H ASN 40 1.742 -4.618 -4.643 309 HA ASN 40 HA ASN 40 -0.617 -3.821 -5.819 310 HB2 ASN 40 2HB ASN 40 -0.861 -3.804 -2.916 311 HB3 ASN 40 1HB ASN 40 -1.566 -4.889 -4.099 312 HD21 ASN 40 1HD2 ASN 40 -0.779 -5.713 -1.606 313 HD22 ASN 40 2HD2 ASN 40 0.563 -6.785 -1.761 314 H VAL 41 H VAL 41 1.195 -2.165 -3.332 315 HA VAL 41 HA VAL 41 -0.636 0.020 -3.274 316 HB VAL 41 HB VAL 41 1.039 -0.943 -1.369 317 HG11 VAL 41 1HG1 VAL 41 2.114 1.792 -1.737 318 HG12 VAL 41 2HG1 VAL 41 2.820 0.515 -2.717 319 HG13 VAL 41 3HG1 VAL 41 2.840 0.387 -0.959 320 HG21 VAL 41 3HG2 VAL 41 -1.087 0.550 -1.382 321 HG22 VAL 41 1HG2 VAL 41 0.064 1.875 -1.246 322 HG23 VAL 41 2HG2 VAL 41 0.019 0.626 -0.016 323 H SER 42 H SER 42 2.205 -0.563 -5.176 324 HA SER 42 HA SER 42 1.972 1.635 -6.764 325 HB2 SER 42 2HB SER 42 2.344 3.522 -5.541 326 HB3 SER 42 1HB SER 42 2.709 2.566 -4.092 327 HG SER 42 HG SER 42 4.719 3.064 -4.378 328 H ARG 43 H ARG 43 5.335 1.460 -5.275 329 HA ARG 43 HA ARG 43 7.126 0.223 -5.912 330 HB2 ARG 43 2HB ARG 43 6.967 -1.775 -7.032 331 HB3 ARG 43 1HB ARG 43 5.344 -1.601 -6.394 332 HG2 ARG 43 2HG ARG 43 4.542 -1.892 -8.434 333 HG3 ARG 43 1HG ARG 43 5.333 -0.407 -8.952 334 HD2 ARG 43 2HD ARG 43 7.355 -1.663 -9.491 335 HD3 ARG 43 1HD ARG 43 6.589 -3.147 -8.932 336 HE ARG 43 HE ARG 43 5.091 -1.840 -10.988 337 HH11 ARG 43 1HH1 ARG 43 7.785 -3.981 -10.389 338 HH12 ARG 43 2HH1 ARG 43 7.673 -4.752 -11.935 339 HH21 ARG 43 1HH2 ARG 43 4.951 -2.853 -13.021 340 HH22 ARG 43 2HH2 ARG 43 6.068 -4.111 -13.430 341 H ALA 44 H ALA 44 7.076 2.743 -6.822 342 HA ALA 44 HA ALA 44 7.271 3.000 -9.651 343 HB1 ALA 44 1HB ALA 44 8.052 4.698 -7.311 344 HB2 ALA 44 2HB ALA 44 6.876 5.013 -8.585 345 HB3 ALA 44 3HB ALA 44 8.601 5.137 -8.930 346 H GLY 45 H GLY 45 8.772 0.838 -9.813 347 HA2 GLY 45 2HA GLY 45 11.553 1.796 -9.676 348 HA3 GLY 45 1HA GLY 45 11.142 0.193 -9.145 349 H VAL 46 H VAL 46 10.007 -1.152 -10.960 350 HA VAL 46 HA VAL 46 11.755 -1.313 -13.160 351 HB VAL 46 HB VAL 46 8.998 -2.502 -13.230 352 HG11 VAL 46 1HG1 VAL 46 11.639 -3.042 -14.467 353 HG12 VAL 46 2HG1 VAL 46 10.021 -3.125 -15.161 354 HG13 VAL 46 3HG1 VAL 46 10.598 -4.422 -14.114 355 HG21 VAL 46 3HG2 VAL 46 10.240 -4.496 -12.068 356 HG22 VAL 46 1HG2 VAL 46 9.489 -3.220 -11.112 357 HG23 VAL 46 2HG2 VAL 46 11.231 -3.207 -11.389 358 H SER 47 H SER 47 9.222 0.848 -12.617 359 HA SER 47 HA SER 47 9.421 1.895 -15.277 360 HB2 SER 47 2HB SER 47 7.683 0.849 -16.257 361 HB3 SER 47 1HB SER 47 7.533 -0.193 -14.838 362 HG SER 47 HG SER 47 6.225 2.295 -15.282 363 H GLY 48 H GLY 48 6.640 1.819 -12.770 364 HA2 GLY 48 2HA GLY 48 5.558 3.626 -11.856 365 HA3 GLY 48 1HA GLY 48 7.182 4.037 -11.332 366 H CYS 49 H CYS 49 8.240 5.729 -12.252 367 HA CYS 49 HA CYS 49 8.658 7.525 -13.601 368 HB2 CYS 49 2HB CYS 49 7.507 6.016 -15.403 369 HB3 CYS 49 1HB CYS 49 6.147 7.114 -15.179 370 HG CYS 49 HG CYS 49 7.938 9.056 -15.844 371 H PHE 50 H PHE 50 6.637 7.335 -11.263 372 HA PHE 50 HA PHE 50 5.053 9.745 -11.843 373 HB2 PHE 50 2HB PHE 50 4.930 8.524 -9.126 374 HB3 PHE 50 1HB PHE 50 3.643 9.143 -10.149 375 HD1 PHE 50 1HD PHE 50 2.762 7.706 -12.002 376 HD2 PHE 50 2HD PHE 50 5.432 6.241 -9.033 377 HE1 PHE 50 1HE PHE 50 2.097 5.400 -12.547 378 HE2 PHE 50 2HE PHE 50 4.775 3.933 -9.572 379 HZ PHE 50 HZ PHE 50 3.105 3.510 -11.331 380 H SER 51 H SER 51 6.907 8.689 -8.842 381 HA SER 51 HA SER 51 8.515 11.085 -8.995 382 HB2 SER 51 2HB SER 51 7.770 12.039 -6.877 383 HB3 SER 51 1HB SER 51 6.414 11.934 -8.001 384 HG SER 51 HG SER 51 6.996 10.059 -5.949 385 H THR 52 H THR 52 8.643 8.045 -8.682 386 HA THR 52 HA THR 52 10.067 6.559 -7.764 387 HB THR 52 HB THR 52 11.662 8.245 -6.053 388 HG1 THR 52 1HG THR 52 11.314 9.119 -8.728 389 HG21 THR 52 3HG2 THR 52 12.100 6.131 -7.754 390 HG22 THR 52 1HG2 THR 52 13.340 7.095 -6.952 391 HG23 THR 52 2HG2 THR 52 12.840 7.492 -8.596 392 H PHE 53 H PHE 53 9.409 9.008 -5.283 393 HA PHE 53 HA PHE 53 9.071 8.760 -3.018 394 HB2 PHE 53 2HB PHE 53 6.920 7.469 -2.596 395 HB3 PHE 53 1HB PHE 53 6.807 8.791 -3.752 396 HD1 PHE 53 2HD PHE 53 7.550 5.132 -3.719 397 HD2 PHE 53 1HD PHE 53 5.654 8.391 -5.686 398 HE1 PHE 53 2HE PHE 53 6.616 3.578 -5.365 399 HE2 PHE 53 1HE PHE 53 4.712 6.843 -7.348 400 HZ PHE 53 HZ PHE 53 5.192 4.432 -7.192 401 H GLN 54 H GLN 54 11.100 6.980 -3.919 402 HA GLN 54 HA GLN 54 11.553 4.536 -3.613 403 HB2 GLN 54 2HB GLN 54 12.702 6.716 -2.011 404 HB3 GLN 54 1HB GLN 54 13.044 5.105 -1.406 405 HG2 GLN 54 2HG GLN 54 14.193 4.496 -3.342 406 HG3 GLN 54 1HG GLN 54 13.496 5.815 -4.280 407 HE21 GLN 54 1HE2 GLN 54 13.961 8.029 -3.060 408 HE22 GLN 54 2HE2 GLN 54 15.635 8.282 -2.713 409 HA PRO 55 HA PRO 55 8.934 2.704 -0.490 410 HB2 PRO 55 2HB PRO 55 10.327 0.195 -0.754 411 HB3 PRO 55 1HB PRO 55 8.731 0.628 -1.340 412 HG2 PRO 55 2HG PRO 55 10.930 0.153 -2.953 413 HG3 PRO 55 1HG PRO 55 9.484 1.051 -3.441 414 HD2 PRO 55 2HD PRO 55 12.169 2.066 -2.649 415 HD3 PRO 55 1HD PRO 55 10.996 2.745 -3.795 416 H THR 56 H THR 56 12.427 2.491 -0.515 417 HA THR 56 HA THR 56 13.005 1.326 1.927 418 HB THR 56 HB THR 56 14.430 3.848 1.068 419 HG1 THR 56 1HG THR 56 14.385 1.369 -0.280 420 HG21 THR 56 3HG2 THR 56 15.237 2.564 3.027 421 HG22 THR 56 1HG2 THR 56 16.409 2.687 1.715 422 HG23 THR 56 2HG2 THR 56 15.511 1.188 1.957 423 H THR 57 H THR 57 12.065 4.803 1.250 424 HA THR 57 HA THR 57 12.326 5.803 3.809 425 HB THR 57 HB THR 57 11.723 7.130 1.793 426 HG1 THR 57 1HG THR 57 10.876 8.598 3.041 427 HG21 THR 57 3HG2 THR 57 9.845 6.906 0.634 428 HG22 THR 57 1HG2 THR 57 8.856 6.832 2.093 429 HG23 THR 57 2HG2 THR 57 9.631 5.372 1.478 430 H GLY 58 H GLY 58 9.888 3.655 2.498 431 HA2 GLY 58 2HA GLY 58 8.972 2.210 4.385 432 HA3 GLY 58 1HA GLY 58 8.523 3.737 5.105 433 H HIS 59 H HIS 59 7.812 1.733 2.122 434 HA HIS 59 HA HIS 59 5.438 3.327 1.721 435 HB2 HIS 59 2HB HIS 59 6.862 1.298 0.170 436 HB3 HIS 59 1HB HIS 59 5.124 1.075 0.133 437 HD1 HIS 59 1HD HIS 59 7.255 4.198 -0.070 438 HD2 HIS 59 2HD HIS 59 4.175 2.265 -2.130 439 HE1 HIS 59 1HE HIS 59 6.637 5.728 -1.956 440 HE2 HIS 59 2HE HIS 59 4.723 4.591 -3.126 441 H ARG 60 H ARG 60 3.552 2.977 2.457 442 HA ARG 60 HA ARG 60 2.980 0.645 4.181 443 HB2 ARG 60 2HB ARG 60 1.595 2.205 5.443 444 HB3 ARG 60 1HB ARG 60 3.173 2.909 5.207 445 HG2 ARG 60 2HG ARG 60 1.696 3.754 3.013 446 HG3 ARG 60 1HG ARG 60 0.616 3.903 4.394 447 HD2 ARG 60 2HD ARG 60 3.407 5.034 4.220 448 HD3 ARG 60 1HD ARG 60 1.922 5.953 4.000 449 HE ARG 60 HE ARG 60 1.479 5.754 6.303 450 HH11 ARG 60 1HH1 ARG 60 4.532 4.294 5.418 451 HH12 ARG 60 2HH1 ARG 60 5.122 4.260 7.042 452 HH21 ARG 60 1HH2 ARG 60 2.263 5.708 8.433 453 HH22 ARG 60 2HH2 ARG 60 3.837 5.060 8.754 454 H LEU 61 H LEU 61 0.396 0.286 4.294 455 HA LEU 61 HA LEU 61 -0.666 0.353 1.543 456 HB2 LEU 61 2HB LEU 61 -0.392 -1.726 3.445 457 HB3 LEU 61 1HB LEU 61 -2.094 -1.362 3.417 458 HG LEU 61 HG LEU 61 -0.832 -3.167 1.824 459 HD11 LEU 61 1HD1 LEU 61 -3.453 -1.814 1.709 460 HD12 LEU 61 2HD1 LEU 61 -3.046 -3.461 2.175 461 HD13 LEU 61 3HD1 LEU 61 -3.004 -2.998 0.479 462 HD21 LEU 61 3HD2 LEU 61 -1.303 -0.749 0.150 463 HD22 LEU 61 1HD2 LEU 61 -0.965 -2.370 -0.450 464 HD23 LEU 61 2HD2 LEU 61 0.251 -1.503 0.486 465 H CYS 62 H CYS 62 -3.213 0.851 1.474 466 HA CYS 62 HA CYS 62 -3.941 2.172 3.948 467 HB2 CYS 62 2HB CYS 62 -3.975 4.196 3.127 468 HB3 CYS 62 1HB CYS 62 -3.070 3.544 1.788 469 H SER 63 H SER 63 -6.343 3.047 3.701 470 HA SER 63 HA SER 63 -7.942 1.575 4.790 471 HB2 SER 63 2HB SER 63 -8.407 3.736 2.886 472 HB3 SER 63 1HB SER 63 -9.818 2.718 3.137 473 HG SER 63 HG SER 63 -9.592 3.082 5.379 474 H VAL 64 H VAL 64 -9.130 1.752 1.645 475 HA VAL 64 HA VAL 64 -10.460 -0.767 2.202 476 HB VAL 64 HB VAL 64 -11.915 -0.346 0.327 477 HG11 VAL 64 1HG1 VAL 64 -12.379 2.202 1.210 478 HG12 VAL 64 2HG1 VAL 64 -11.456 1.503 2.541 479 HG13 VAL 64 3HG1 VAL 64 -12.944 0.729 1.996 480 HG21 VAL 64 3HG2 VAL 64 -11.227 2.270 -0.402 481 HG22 VAL 64 1HG2 VAL 64 -11.186 0.821 -1.407 482 HG23 VAL 64 2HG2 VAL 64 -9.745 1.314 -0.514 483 H HIS 65 H HIS 65 -7.669 -1.214 1.324 484 HA HIS 65 HA HIS 65 -8.426 -2.910 -0.971 485 HB2 HIS 65 2HB HIS 65 -5.637 -2.698 -1.089 486 HB3 HIS 65 1HB HIS 65 -6.816 -1.966 -2.158 487 HD1 HIS 65 1HD HIS 65 -7.884 0.207 -0.281 488 HD2 HIS 65 2HD HIS 65 -3.881 -0.599 -0.917 489 HE1 HIS 65 1HE HIS 65 -6.666 2.215 0.499 490 H PHE 66 H PHE 66 -8.760 -3.580 1.755 491 HA PHE 66 HA PHE 66 -6.860 -5.813 1.976 492 HB2 PHE 66 2HB PHE 66 -7.832 -3.851 3.984 493 HB3 PHE 66 1HB PHE 66 -7.742 -5.512 4.543 494 HD1 PHE 66 1HD PHE 66 -5.466 -6.730 3.904 495 HD2 PHE 66 2HD PHE 66 -6.001 -2.511 4.267 496 HE1 PHE 66 1HE PHE 66 -3.053 -6.461 4.304 497 HE2 PHE 66 2HE PHE 66 -3.587 -2.242 4.662 498 HZ PHE 66 HZ PHE 66 -2.104 -4.224 4.681 499 H GLN 67 H GLN 67 -8.004 -7.766 3.313 500 HA GLN 67 HA GLN 67 -10.664 -8.040 2.170 501 HB2 GLN 67 2HB GLN 67 -9.041 -10.117 3.626 502 HB3 GLN 67 1HB GLN 67 -10.413 -10.379 2.557 503 HG2 GLN 67 2HG GLN 67 -7.882 -9.098 1.591 504 HG3 GLN 67 1HG GLN 67 -8.082 -10.847 1.646 505 HE21 GLN 67 1HE2 GLN 67 -9.065 -11.825 0.005 506 HE22 GLN 67 2HE2 GLN 67 -9.900 -11.028 -1.279 507 H GLY 68 H GLY 68 -12.356 -7.129 3.848 508 HA2 GLY 68 2HA GLY 68 -13.444 -7.047 5.827 509 HA3 GLY 68 1HA GLY 68 -12.729 -8.602 6.196 510 H GLY 69 H GLY 69 -10.298 -8.413 6.991 511 HA2 GLY 69 2HA GLY 69 -9.039 -6.241 7.950 512 HA3 GLY 69 1HA GLY 69 -10.320 -6.464 9.134 513 H ARG 70 H ARG 70 -7.371 -6.707 9.375 514 HA ARG 70 HA ARG 70 -6.133 -7.938 10.899 515 HB2 ARG 70 2HB ARG 70 -8.146 -9.130 11.713 516 HB3 ARG 70 1HB ARG 70 -8.024 -10.234 10.353 517 HG2 ARG 70 2HG ARG 70 -6.760 -11.541 11.602 518 HG3 ARG 70 1HG ARG 70 -5.513 -10.295 11.566 519 HD2 ARG 70 2HD ARG 70 -7.626 -10.777 13.647 520 HD3 ARG 70 1HD ARG 70 -5.875 -10.754 13.847 521 HE ARG 70 HE ARG 70 -7.656 -8.489 13.827 522 HH11 ARG 70 1HH1 ARG 70 -4.365 -9.565 13.393 523 HH12 ARG 70 2HH1 ARG 70 -3.680 -8.016 13.751 524 HH21 ARG 70 1HH2 ARG 70 -6.758 -6.453 14.300 525 HH22 ARG 70 2HH2 ARG 70 -5.038 -6.248 14.266 526 H LYS 71 H LYS 71 -7.283 -9.341 7.894 527 HA LYS 71 HA LYS 71 -6.258 -10.576 6.277 528 HB2 LYS 71 2HB LYS 71 -5.350 -8.678 5.423 529 HB3 LYS 71 1HB LYS 71 -4.552 -8.247 6.922 530 HG2 LYS 71 2HG LYS 71 -3.234 -10.543 5.933 531 HG3 LYS 71 1HG LYS 71 -3.470 -9.453 4.572 532 HD2 LYS 71 2HD LYS 71 -1.334 -9.094 5.774 533 HD3 LYS 71 1HD LYS 71 -2.364 -7.665 5.733 534 HE2 LYS 71 2HE LYS 71 -3.191 -8.532 8.048 535 HE3 LYS 71 1HE LYS 71 -1.698 -9.469 8.022 536 HZ1 LYS 71 3HZ LYS 71 -1.812 -7.047 9.018 537 HZ2 LYS 71 1HZ LYS 71 -1.506 -6.622 7.409 538 HZ3 LYS 71 2HZ LYS 71 -0.427 -7.623 8.239 539 H THR 72 H THR 72 -5.984 -12.638 6.962 540 HA THR 72 HA THR 72 -3.384 -13.289 8.181 541 HB THR 72 HB THR 72 -5.117 -13.663 9.833 542 HG1 THR 72 1HG THR 72 -3.939 -15.327 10.272 543 HG21 THR 72 3HG2 THR 72 -7.177 -14.116 9.127 544 HG22 THR 72 1HG2 THR 72 -6.630 -15.790 9.043 545 HG23 THR 72 2HG2 THR 72 -6.608 -14.783 7.596 546 H TYR 73 H TYR 73 -4.799 -16.188 7.687 547 HA TYR 73 HA TYR 73 -3.173 -16.931 5.570 548 HB2 TYR 73 2HB TYR 73 -5.652 -18.484 5.583 549 HB3 TYR 73 1HB TYR 73 -4.010 -19.000 5.949 550 HD1 TYR 73 2HD TYR 73 -3.144 -18.636 8.312 551 HD2 TYR 73 1HD TYR 73 -7.242 -18.181 7.264 552 HE1 TYR 73 2HE TYR 73 -3.768 -18.846 10.683 553 HE2 TYR 73 1HE TYR 73 -7.877 -18.389 9.631 554 HH TYR 73 HH TYR 73 -6.854 -18.063 11.846 555 H THR 74 H THR 74 -4.291 -17.948 3.394 556 HA THR 74 HA THR 74 -5.195 -17.502 1.382 557 HB THR 74 HB THR 74 -7.441 -15.988 1.688 558 HG1 THR 74 1HG THR 74 -7.184 -17.449 4.098 559 HG21 THR 74 3HG2 THR 74 -7.133 -18.933 2.209 560 HG22 THR 74 1HG2 THR 74 -7.501 -18.148 0.673 561 HG23 THR 74 2HG2 THR 74 -8.678 -18.112 1.987 562 H VAL 75 H VAL 75 -5.790 -14.462 3.206 563 HA VAL 75 HA VAL 75 -5.118 -12.872 0.897 564 HB VAL 75 HB VAL 75 -6.859 -12.155 2.469 565 HG11 VAL 75 1HG1 VAL 75 -5.145 -11.332 4.658 566 HG12 VAL 75 2HG1 VAL 75 -5.157 -13.078 4.419 567 HG13 VAL 75 3HG1 VAL 75 -6.672 -12.214 4.676 568 HG21 VAL 75 3HG2 VAL 75 -6.227 -9.854 2.922 569 HG22 VAL 75 1HG2 VAL 75 -5.688 -10.325 1.315 570 HG23 VAL 75 2HG2 VAL 75 -4.533 -10.228 2.651 571 H ARG 76 H ARG 76 -2.866 -13.302 0.406 572 HA ARG 76 HA ARG 76 -0.948 -12.875 2.557 573 HB2 ARG 76 2HB ARG 76 -0.719 -13.852 -0.276 574 HB3 ARG 76 1HB ARG 76 0.706 -13.348 0.613 575 HG2 ARG 76 2HG ARG 76 -0.362 -15.003 2.420 576 HG3 ARG 76 1HG ARG 76 -0.987 -15.739 0.944 577 HD2 ARG 76 2HD ARG 76 1.763 -15.083 0.556 578 HD3 ARG 76 1HD ARG 76 1.601 -15.972 2.068 579 HE ARG 76 HE ARG 76 1.230 -16.991 -0.591 580 HH11 ARG 76 1HH1 ARG 76 0.392 -17.425 2.769 581 HH12 ARG 76 2HH1 ARG 76 0.066 -19.118 2.599 582 HH21 ARG 76 1HH2 ARG 76 0.804 -19.216 -0.817 583 HH22 ARG 76 2HH2 ARG 76 0.301 -20.135 0.563 584 H VAL 77 H VAL 77 -1.756 -11.405 -0.605 585 HA VAL 77 HA VAL 77 -0.438 -8.966 0.366 586 HB VAL 77 HB VAL 77 0.573 -8.531 -1.743 587 HG11 VAL 77 1HG1 VAL 77 2.182 -10.058 -1.593 588 HG12 VAL 77 2HG1 VAL 77 1.085 -11.379 -1.996 589 HG13 VAL 77 3HG1 VAL 77 1.198 -10.804 -0.333 590 HG21 VAL 77 3HG2 VAL 77 -1.440 -10.451 -2.765 591 HG22 VAL 77 1HG2 VAL 77 0.107 -10.348 -3.607 592 HG23 VAL 77 2HG2 VAL 77 -0.893 -8.909 -3.426 593 HA PRO 78 HA PRO 78 -4.550 -7.166 -0.176 594 HB2 PRO 78 2HB PRO 78 -2.754 -4.783 -0.380 595 HB3 PRO 78 1HB PRO 78 -4.281 -4.941 0.491 596 HG2 PRO 78 2HG PRO 78 -2.107 -5.120 1.896 597 HG3 PRO 78 1HG PRO 78 -3.269 -6.457 2.074 598 HD2 PRO 78 2HD PRO 78 -0.814 -6.326 0.363 599 HD3 PRO 78 1HD PRO 78 -1.274 -7.598 1.518 600 H THR 79 H THR 79 -3.865 -8.184 -2.789 601 HA THR 79 HA THR 79 -4.235 -5.602 -4.158 602 HB THR 79 HB THR 79 -3.913 -7.823 -5.990 603 HG1 THR 79 1HG THR 79 -1.686 -7.374 -4.313 604 HG21 THR 79 3HG2 THR 79 -3.202 -6.012 -7.078 605 HG22 THR 79 1HG2 THR 79 -1.670 -6.310 -6.253 606 HG23 THR 79 2HG2 THR 79 -2.818 -5.148 -5.589 607 H ILE 80 H ILE 80 -6.191 -5.149 -4.179 608 HA ILE 80 HA ILE 80 -8.167 -6.970 -5.366 609 HB ILE 80 HB ILE 80 -8.751 -4.992 -3.155 610 HG12 ILE 80 2HG1 ILE 80 -7.513 -7.067 -2.447 611 HG13 ILE 80 1HG1 ILE 80 -9.093 -6.863 -1.699 612 HG21 ILE 80 1HG2 ILE 80 -10.637 -5.129 -4.588 613 HG22 ILE 80 2HG2 ILE 80 -10.993 -6.124 -3.175 614 HG23 ILE 80 3HG2 ILE 80 -10.512 -6.886 -4.691 615 HD11 ILE 80 3HD1 ILE 80 -8.129 -9.111 -3.015 616 HD12 ILE 80 1HD1 ILE 80 -9.297 -8.400 -4.126 617 HD13 ILE 80 2HD1 ILE 80 -9.784 -8.815 -2.483 618 H PHE 81 H PHE 81 -8.144 -5.976 -7.479 619 HA PHE 81 HA PHE 81 -9.644 -3.616 -7.737 620 HB2 PHE 81 2HB PHE 81 -6.986 -2.906 -8.841 621 HB3 PHE 81 1HB PHE 81 -8.212 -1.878 -8.126 622 HD1 PHE 81 2HD PHE 81 -8.259 -1.571 -5.609 623 HD2 PHE 81 1HD PHE 81 -5.137 -3.680 -7.612 624 HE1 PHE 81 2HE PHE 81 -6.859 -1.380 -3.623 625 HE2 PHE 81 1HE PHE 81 -3.721 -3.455 -5.620 626 HZ PHE 81 HZ PHE 81 -4.593 -2.350 -3.575 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 11.838 12.727 3.463 2 H2 GLY 1 2HT GLY 1 12.327 13.330 1.960 3 H3 GLY 1 3HT GLY 1 12.979 11.881 2.542 4 HA2 GLY 1 1HA GLY 1 11.454 11.007 1.131 5 HA3 GLY 1 2HA GLY 1 10.479 11.150 2.586 6 H SER 2 H SER 2 9.391 11.068 0.006 7 HA SER 2 HA SER 2 8.802 13.709 -0.920 8 HB2 SER 2 2HB SER 2 7.360 12.656 -2.516 9 HB3 SER 2 1HB SER 2 8.784 11.628 -2.351 10 HG SER 2 HG SER 2 7.487 10.405 -0.797 11 HA PRO 3 HA PRO 3 5.343 14.587 1.685 12 HB2 PRO 3 2HB PRO 3 4.125 16.503 0.276 13 HB3 PRO 3 1HB PRO 3 5.740 16.751 0.953 14 HG2 PRO 3 2HG PRO 3 4.943 16.068 -1.850 15 HG3 PRO 3 1HG PRO 3 6.170 17.216 -1.285 16 HD2 PRO 3 2HD PRO 3 6.716 14.660 -2.158 17 HD3 PRO 3 1HD PRO 3 7.754 15.585 -1.058 18 H GLY 4 H GLY 4 4.827 12.179 0.408 19 HA2 GLY 4 2HA GLY 4 2.094 11.963 0.502 20 HA3 GLY 4 1HA GLY 4 2.460 12.317 -1.186 21 H PHE 5 H PHE 5 1.238 9.982 -1.045 22 HA PHE 5 HA PHE 5 2.280 8.061 -2.267 23 HB2 PHE 5 2HB PHE 5 3.639 6.553 -1.055 24 HB3 PHE 5 1HB PHE 5 4.427 8.124 -1.091 25 HD1 PHE 5 2HD PHE 5 1.951 8.692 1.156 26 HD2 PHE 5 1HD PHE 5 5.507 6.387 0.796 27 HE1 PHE 5 2HE PHE 5 2.167 8.649 3.608 28 HE2 PHE 5 1HE PHE 5 5.730 6.337 3.247 29 HZ PHE 5 HZ PHE 5 4.058 7.470 4.655 30 H THR 6 H THR 6 0.035 9.052 -0.675 31 HA THR 6 HA THR 6 -1.063 7.247 1.060 32 HB THR 6 HB THR 6 -2.019 9.399 -0.717 33 HG1 THR 6 1HG THR 6 -1.160 9.705 1.403 34 HG21 THR 6 3HG2 THR 6 -4.142 8.799 -0.888 35 HG22 THR 6 1HG2 THR 6 -4.237 8.804 0.862 36 HG23 THR 6 2HG2 THR 6 -3.853 7.315 0.008 37 H CYS 7 H CYS 7 0.034 5.404 -0.484 38 HA CYS 7 HA CYS 7 -0.336 3.489 -1.678 39 HB2 CYS 7 2HB CYS 7 -1.837 3.091 0.228 40 HB3 CYS 7 1HB CYS 7 -3.115 3.972 -0.591 41 H CYS 8 H CYS 8 -0.050 4.078 -3.862 42 HA CYS 8 HA CYS 8 -1.709 5.617 -5.435 43 HB2 CYS 8 2HB CYS 8 0.443 4.790 -6.235 44 HB3 CYS 8 1HB CYS 8 -0.185 3.147 -6.269 45 HG CYS 8 HG CYS 8 -0.603 5.263 -8.413 46 H VAL 9 H VAL 9 -3.716 5.073 -4.443 47 HA VAL 9 HA VAL 9 -5.003 2.596 -4.796 48 HB VAL 9 HB VAL 9 -5.905 5.313 -3.912 49 HG11 VAL 9 1HG1 VAL 9 -7.818 3.316 -3.234 50 HG12 VAL 9 2HG1 VAL 9 -7.634 3.364 -4.982 51 HG13 VAL 9 3HG1 VAL 9 -8.058 4.829 -4.102 52 HG21 VAL 9 3HG2 VAL 9 -4.994 4.579 -2.067 53 HG22 VAL 9 1HG2 VAL 9 -4.837 2.944 -2.696 54 HG23 VAL 9 2HG2 VAL 9 -6.352 3.466 -1.962 55 HA PRO 10 HA PRO 10 -6.554 3.577 -8.918 56 HB2 PRO 10 2HB PRO 10 -6.941 1.061 -9.716 57 HB3 PRO 10 1HB PRO 10 -5.301 1.717 -9.611 58 HG2 PRO 10 2HG PRO 10 -6.749 -0.079 -7.714 59 HG3 PRO 10 1HG PRO 10 -5.061 -0.145 -8.247 60 HD2 PRO 10 2HD PRO 10 -5.922 0.965 -5.859 61 HD3 PRO 10 1HD PRO 10 -4.391 1.356 -6.662 62 H GLY 11 H GLY 11 -7.801 1.927 -6.153 63 HA2 GLY 11 2HA GLY 11 -10.459 2.810 -6.678 64 HA3 GLY 11 1HA GLY 11 -10.305 1.084 -6.922 65 H CYS 12 H CYS 12 -8.145 1.587 -4.454 66 HA CYS 12 HA CYS 12 -10.117 0.681 -2.579 67 HB2 CYS 12 2HB CYS 12 -8.087 0.725 -0.940 68 HB3 CYS 12 1HB CYS 12 -8.237 -0.518 -2.157 69 H TYR 13 H TYR 13 -8.288 2.193 -0.384 70 HA TYR 13 HA TYR 13 -10.336 3.947 0.339 71 HB2 TYR 13 2HB TYR 13 -8.384 2.811 1.719 72 HB3 TYR 13 1HB TYR 13 -7.667 4.392 1.526 73 HD1 TYR 13 1HD TYR 13 -11.315 3.916 1.775 74 HD2 TYR 13 2HD TYR 13 -7.764 4.953 3.879 75 HE1 TYR 13 1HE TYR 13 -12.669 4.767 3.634 76 HE2 TYR 13 2HE TYR 13 -9.113 5.808 5.742 77 HH TYR 13 HH TYR 13 -11.630 6.770 5.905 78 H ASN 14 H ASN 14 -7.194 5.339 0.404 79 HA ASN 14 HA ASN 14 -7.924 7.514 -1.410 80 HB2 ASN 14 2HB ASN 14 -6.610 8.983 0.204 81 HB3 ASN 14 1HB ASN 14 -8.111 8.345 0.815 82 HD21 ASN 14 1HD2 ASN 14 -7.972 6.140 1.791 83 HD22 ASN 14 2HD2 ASN 14 -6.653 5.757 2.829 84 H ASN 15 H ASN 15 -5.877 8.383 -2.622 85 HA ASN 15 HA ASN 15 -3.936 6.233 -2.665 86 HB2 ASN 15 2HB ASN 15 -3.592 6.666 -5.054 87 HB3 ASN 15 1HB ASN 15 -5.306 6.513 -4.711 88 HD21 ASN 15 1HD2 ASN 15 -3.628 7.915 -6.794 89 HD22 ASN 15 2HD2 ASN 15 -4.309 9.497 -6.874 90 H SER 16 H SER 16 -1.548 6.718 -3.416 91 HA SER 16 HA SER 16 -0.298 8.223 -1.830 92 HB2 SER 16 2HB SER 16 1.073 6.714 -3.028 93 HB3 SER 16 1HB SER 16 0.352 7.141 -4.542 94 HG SER 16 HG SER 16 1.841 8.554 -4.869 95 H HIS 17 H HIS 17 1.330 10.121 -2.739 96 HA HIS 17 HA HIS 17 1.212 12.453 -2.770 97 HB2 HIS 17 2HB HIS 17 1.286 13.051 -5.247 98 HB3 HIS 17 1HB HIS 17 2.458 11.877 -4.661 99 HD1 HIS 17 1HD HIS 17 -1.133 11.180 -5.659 100 HD2 HIS 17 2HD HIS 17 2.744 10.302 -6.870 101 HE1 HIS 17 1HE HIS 17 -1.373 9.483 -7.498 102 HE2 HIS 17 2HE HIS 17 0.984 9.012 -8.258 103 H ARG 18 H ARG 18 -1.247 12.221 -1.763 104 HA ARG 18 HA ARG 18 -2.696 14.216 -3.186 105 HB2 ARG 18 2HB ARG 18 -3.663 12.763 -4.615 106 HB3 ARG 18 1HB ARG 18 -3.405 11.386 -3.550 107 HG2 ARG 18 2HG ARG 18 -5.440 13.307 -2.636 108 HG3 ARG 18 1HG ARG 18 -5.816 12.439 -4.126 109 HD2 ARG 18 2HD ARG 18 -4.762 10.504 -2.434 110 HD3 ARG 18 1HD ARG 18 -5.787 11.493 -1.398 111 HE ARG 18 HE ARG 18 -6.644 9.812 -3.599 112 HH11 ARG 18 1HH1 ARG 18 -7.508 12.324 -1.331 113 HH12 ARG 18 2HH1 ARG 18 -9.208 12.029 -1.465 114 HH21 ARG 18 1HH2 ARG 18 -8.878 9.425 -3.771 115 HH22 ARG 18 2HH2 ARG 18 -9.986 10.384 -2.848 116 H ASP 19 H ASP 19 -3.637 11.583 -0.862 117 HA ASP 19 HA ASP 19 -4.898 13.690 0.691 118 HB2 ASP 19 2HB ASP 19 -6.455 12.005 0.326 119 HB3 ASP 19 1HB ASP 19 -5.328 10.716 0.679 120 H LYS 20 H LYS 20 -2.879 10.891 1.595 121 HA LYS 20 HA LYS 20 -1.448 10.573 3.339 122 HB2 LYS 20 2HB LYS 20 -1.112 13.574 3.186 123 HB3 LYS 20 1HB LYS 20 -0.003 12.438 3.939 124 HG2 LYS 20 2HG LYS 20 1.089 12.405 2.018 125 HG3 LYS 20 1HG LYS 20 -0.267 11.485 1.361 126 HD2 LYS 20 2HD LYS 20 0.270 13.408 -0.053 127 HD3 LYS 20 1HD LYS 20 -1.340 13.561 0.653 128 HE2 LYS 20 2HE LYS 20 0.165 15.630 0.655 129 HE3 LYS 20 1HE LYS 20 -0.652 15.209 2.159 130 HZ1 LYS 20 3HZ LYS 20 1.284 14.605 3.154 131 HZ2 LYS 20 1HZ LYS 20 1.898 15.773 2.092 132 HZ3 LYS 20 2HZ LYS 20 2.029 14.131 1.712 133 H ALA 21 H ALA 21 -4.324 11.617 3.758 134 HA ALA 21 HA ALA 21 -4.050 12.486 6.547 135 HB1 ALA 21 1HB ALA 21 -5.464 14.077 6.012 136 HB2 ALA 21 2HB ALA 21 -6.718 12.859 5.796 137 HB3 ALA 21 3HB ALA 21 -5.735 13.369 4.422 138 H LEU 22 H LEU 22 -6.207 10.200 4.679 139 HA LEU 22 HA LEU 22 -7.518 9.263 6.948 140 HB2 LEU 22 2HB LEU 22 -7.172 7.539 4.492 141 HB3 LEU 22 1HB LEU 22 -8.601 7.762 5.497 142 HG LEU 22 HG LEU 22 -7.716 9.296 3.146 143 HD11 LEU 22 1HD1 LEU 22 -10.436 9.683 3.827 144 HD12 LEU 22 2HD1 LEU 22 -10.060 7.989 4.114 145 HD13 LEU 22 3HD1 LEU 22 -9.766 8.706 2.525 146 HD21 LEU 22 3HD2 LEU 22 -8.407 10.636 5.674 147 HD22 LEU 22 1HD2 LEU 22 -9.276 11.187 4.246 148 HD23 LEU 22 2HD2 LEU 22 -7.520 11.229 4.277 149 H HIS 23 H HIS 23 -6.993 6.232 6.821 150 HA HIS 23 HA HIS 23 -4.585 6.393 8.418 151 HB2 HIS 23 2HB HIS 23 -7.044 5.030 8.630 152 HB3 HIS 23 1HB HIS 23 -5.821 3.782 8.414 153 HD1 HIS 23 1HD HIS 23 -7.492 5.348 11.036 154 HD2 HIS 23 2HD HIS 23 -3.474 4.573 10.315 155 HE1 HIS 23 1HE HIS 23 -6.375 5.442 13.288 156 HE2 HIS 23 2HE HIS 23 -3.933 5.040 12.818 157 H PHE 24 H PHE 24 -2.680 4.961 8.057 158 HA PHE 24 HA PHE 24 -2.879 3.386 5.644 159 HB2 PHE 24 2HB PHE 24 -0.761 5.385 6.285 160 HB3 PHE 24 1HB PHE 24 -0.417 4.024 5.220 161 HD1 PHE 24 2HD PHE 24 -2.997 6.666 5.704 162 HD2 PHE 24 1HD PHE 24 -0.755 4.390 2.854 163 HE1 PHE 24 2HE PHE 24 -4.095 7.831 3.843 164 HE2 PHE 24 1HE PHE 24 -1.878 5.490 1.083 165 HZ PHE 24 HZ PHE 24 -3.531 7.214 1.507 166 H TYR 25 H TYR 25 -1.895 1.269 5.708 167 HA TYR 25 HA TYR 25 -0.992 0.374 8.293 168 HB2 TYR 25 2HB TYR 25 -1.696 -0.968 5.696 169 HB3 TYR 25 1HB TYR 25 -0.784 -1.853 6.912 170 HD1 TYR 25 2HD TYR 25 -3.490 0.616 7.521 171 HD2 TYR 25 1HD TYR 25 -2.356 -3.485 7.563 172 HE1 TYR 25 2HE TYR 25 -5.590 0.051 8.669 173 HE2 TYR 25 1HE TYR 25 -4.460 -4.065 8.709 174 HH TYR 25 HH TYR 25 -6.676 -3.174 9.040 175 H THR 26 H THR 26 1.193 -0.858 8.491 176 HA THR 26 HA THR 26 3.107 0.495 6.736 177 HB THR 26 HB THR 26 4.422 0.799 8.532 178 HG1 THR 26 1HG THR 26 3.904 -1.855 9.381 179 HG21 THR 26 3HG2 THR 26 2.278 -0.451 10.223 180 HG22 THR 26 1HG2 THR 26 2.188 1.183 9.570 181 HG23 THR 26 2HG2 THR 26 3.471 0.756 10.700 182 H PHE 27 H PHE 27 5.289 -0.762 6.513 183 HA PHE 27 HA PHE 27 4.699 -3.012 4.942 184 HB2 PHE 27 2HB PHE 27 6.681 -1.088 5.176 185 HB3 PHE 27 1HB PHE 27 7.488 -2.631 5.185 186 HD1 PHE 27 2HD PHE 27 4.435 -2.616 3.298 187 HD2 PHE 27 1HD PHE 27 8.579 -1.650 3.114 188 HE1 PHE 27 2HE PHE 27 4.341 -2.629 0.848 189 HE2 PHE 27 1HE PHE 27 8.474 -1.672 0.663 190 HZ PHE 27 HZ PHE 27 6.352 -2.163 -0.474 191 HA PRO 28 HA PRO 28 5.480 -6.501 7.808 192 HB2 PRO 28 2HB PRO 28 6.713 -7.457 5.207 193 HB3 PRO 28 1HB PRO 28 5.795 -8.412 6.362 194 HG2 PRO 28 2HG PRO 28 4.595 -7.496 4.235 195 HG3 PRO 28 1HG PRO 28 3.777 -7.349 5.796 196 HD2 PRO 28 2HD PRO 28 5.025 -5.275 4.106 197 HD3 PRO 28 1HD PRO 28 3.700 -5.149 5.251 198 H LYS 29 H LYS 29 7.540 -7.872 8.412 199 HA LYS 29 HA LYS 29 9.821 -6.061 8.487 200 HB2 LYS 29 2HB LYS 29 10.225 -8.604 9.835 201 HB3 LYS 29 1HB LYS 29 10.300 -6.972 10.476 202 HG2 LYS 29 2HG LYS 29 7.826 -6.994 10.670 203 HG3 LYS 29 1HG LYS 29 7.844 -8.683 10.159 204 HD2 LYS 29 2HD LYS 29 7.716 -8.461 12.603 205 HD3 LYS 29 1HD LYS 29 9.196 -9.277 12.090 206 HE2 LYS 29 2HE LYS 29 9.227 -6.321 12.491 207 HE3 LYS 29 1HE LYS 29 9.259 -7.377 13.903 208 HZ1 LYS 29 3HZ LYS 29 11.366 -6.705 12.154 209 HZ2 LYS 29 1HZ LYS 29 11.122 -8.380 12.106 210 HZ3 LYS 29 2HZ LYS 29 11.424 -7.610 13.581 211 H ASP 30 H ASP 30 8.809 -8.815 6.775 212 HA ASP 30 HA ASP 30 11.459 -9.805 6.154 213 HB2 ASP 30 2HB ASP 30 9.446 -10.738 4.334 214 HB3 ASP 30 1HB ASP 30 10.313 -11.670 5.544 215 H ALA 31 H ALA 31 12.764 -8.719 4.739 216 HA ALA 31 HA ALA 31 12.169 -6.582 3.262 217 HB1 ALA 31 1HB ALA 31 14.385 -6.936 3.353 218 HB2 ALA 31 2HB ALA 31 14.114 -7.480 1.707 219 HB3 ALA 31 3HB ALA 31 14.267 -8.659 3.016 220 H GLU 32 H GLU 32 12.303 -9.793 1.496 221 HA GLU 32 HA GLU 32 11.189 -8.755 -0.863 222 HB2 GLU 32 2HB GLU 32 12.242 -10.880 -0.892 223 HB3 GLU 32 1HB GLU 32 11.165 -11.595 0.235 224 HG2 GLU 32 2HG GLU 32 10.060 -10.528 -2.310 225 HG3 GLU 32 1HG GLU 32 10.965 -12.040 -2.342 226 H LEU 33 H LEU 33 9.163 -10.629 1.575 227 HA LEU 33 HA LEU 33 6.837 -10.291 0.293 228 HB2 LEU 33 2HB LEU 33 7.287 -11.066 2.740 229 HB3 LEU 33 1HB LEU 33 6.992 -9.399 3.158 230 HG LEU 33 HG LEU 33 4.804 -9.679 3.098 231 HD11 LEU 33 1HD1 LEU 33 3.582 -10.634 1.191 232 HD12 LEU 33 2HD1 LEU 33 5.104 -11.186 0.498 233 HD13 LEU 33 3HD1 LEU 33 4.788 -9.463 0.662 234 HD21 LEU 33 3HD2 LEU 33 5.718 -12.490 2.820 235 HD22 LEU 33 1HD2 LEU 33 4.001 -12.110 2.869 236 HD23 LEU 33 2HD2 LEU 33 5.035 -11.661 4.221 237 H ARG 34 H ARG 34 8.701 -7.849 1.854 238 HA ARG 34 HA ARG 34 6.949 -5.660 1.745 239 HB2 ARG 34 2HB ARG 34 8.708 -4.992 3.008 240 HB3 ARG 34 1HB ARG 34 9.792 -6.076 2.203 241 HG2 ARG 34 2HG ARG 34 9.056 -3.750 0.595 242 HG3 ARG 34 1HG ARG 34 9.889 -3.370 2.100 243 HD2 ARG 34 2HD ARG 34 11.485 -5.309 1.298 244 HD3 ARG 34 1HD ARG 34 10.867 -4.845 -0.286 245 HE ARG 34 HE ARG 34 12.574 -3.279 1.471 246 HH11 ARG 34 1HH1 ARG 34 10.590 -3.334 -1.405 247 HH12 ARG 34 2HH1 ARG 34 11.359 -1.948 -2.101 248 HH21 ARG 34 1HH2 ARG 34 13.574 -1.459 0.548 249 HH22 ARG 34 2HH2 ARG 34 13.043 -0.883 -0.997 250 H ARG 35 H ARG 35 9.595 -6.434 -0.459 251 HA ARG 35 HA ARG 35 8.923 -4.482 -2.305 252 HB2 ARG 35 2HB ARG 35 10.186 -5.755 -3.983 253 HB3 ARG 35 1HB ARG 35 11.061 -5.605 -2.472 254 HG2 ARG 35 2HG ARG 35 11.475 -7.769 -3.131 255 HG3 ARG 35 1HG ARG 35 10.185 -7.955 -1.962 256 HD2 ARG 35 2HD ARG 35 9.769 -9.358 -3.886 257 HD3 ARG 35 1HD ARG 35 8.559 -8.088 -3.812 258 HE ARG 35 HE ARG 35 10.734 -7.306 -5.447 259 HH11 ARG 35 1HH1 ARG 35 7.906 -9.351 -5.411 260 HH12 ARG 35 2HH1 ARG 35 7.696 -9.305 -7.129 261 HH21 ARG 35 1HH2 ARG 35 10.461 -7.245 -7.708 262 HH22 ARG 35 2HH2 ARG 35 9.148 -8.111 -8.434 263 H LEU 36 H LEU 36 7.558 -7.693 -1.710 264 HA LEU 36 HA LEU 36 6.099 -7.787 -4.196 265 HB2 LEU 36 2HB LEU 36 5.489 -8.964 -1.499 266 HB3 LEU 36 1HB LEU 36 4.374 -9.112 -2.831 267 HG LEU 36 HG LEU 36 7.227 -10.071 -2.971 268 HD11 LEU 36 1HD1 LEU 36 6.421 -11.478 -1.344 269 HD12 LEU 36 2HD1 LEU 36 5.967 -12.350 -2.808 270 HD13 LEU 36 3HD1 LEU 36 4.764 -11.398 -1.940 271 HD21 LEU 36 3HD2 LEU 36 5.948 -9.567 -5.087 272 HD22 LEU 36 1HD2 LEU 36 4.847 -10.867 -4.632 273 HD23 LEU 36 2HD2 LEU 36 6.550 -11.217 -4.930 274 H TRP 37 H TRP 37 5.225 -6.330 -1.082 275 HA TRP 37 HA TRP 37 2.728 -5.438 -2.007 276 HB2 TRP 37 2HB TRP 37 4.594 -4.481 0.151 277 HB3 TRP 37 1HB TRP 37 3.105 -3.622 -0.217 278 HD1 TRP 37 HD TRP 37 3.282 -7.420 -0.349 279 HE1 TRP 37 1HE TRP 37 1.833 -8.399 1.583 280 HE3 TRP 37 3HE TRP 37 2.046 -3.070 1.995 281 HZ2 TRP 37 2HZ TRP 37 0.317 -7.382 3.798 282 HZ3 TRP 37 3HZ TRP 37 0.627 -3.135 3.976 283 HH2 TRP 37 HH TRP 37 -0.234 -5.235 4.853 284 H LEU 38 H LEU 38 6.050 -4.058 -2.231 285 HA LEU 38 HA LEU 38 5.676 -1.490 -3.001 286 HB2 LEU 38 2HB LEU 38 7.429 -3.647 -4.142 287 HB3 LEU 38 1HB LEU 38 7.361 -2.121 -4.936 288 HG LEU 38 HG LEU 38 8.402 -2.722 -2.204 289 HD11 LEU 38 1HD1 LEU 38 10.214 -2.778 -3.555 290 HD12 LEU 38 2HD1 LEU 38 10.127 -1.025 -3.361 291 HD13 LEU 38 3HD1 LEU 38 9.451 -1.788 -4.800 292 HD21 LEU 38 3HD2 LEU 38 7.352 -0.840 -1.523 293 HD22 LEU 38 1HD2 LEU 38 7.141 -0.233 -3.165 294 HD23 LEU 38 2HD2 LEU 38 8.694 -0.059 -2.356 295 H LYS 39 H LYS 39 5.177 -4.472 -5.049 296 HA LYS 39 HA LYS 39 4.348 -3.339 -7.388 297 HB2 LYS 39 2HB LYS 39 4.110 -5.881 -5.969 298 HB3 LYS 39 1HB LYS 39 2.854 -5.640 -7.149 299 HG2 LYS 39 2HG LYS 39 5.114 -6.825 -7.731 300 HG3 LYS 39 1HG LYS 39 4.297 -5.791 -8.908 301 HD2 LYS 39 2HD LYS 39 6.187 -4.418 -7.106 302 HD3 LYS 39 1HD LYS 39 6.913 -5.575 -8.222 303 HE2 LYS 39 2HE LYS 39 6.531 -4.272 -10.008 304 HE3 LYS 39 1HE LYS 39 4.916 -3.827 -9.454 305 HZ1 LYS 39 3HZ LYS 39 6.405 -2.484 -7.719 306 HZ2 LYS 39 1HZ LYS 39 5.899 -1.833 -9.197 307 HZ3 LYS 39 2HZ LYS 39 7.457 -2.475 -9.042 308 H ASN 40 H ASN 40 2.128 -4.467 -4.844 309 HA ASN 40 HA ASN 40 -0.211 -3.578 -6.089 310 HB2 ASN 40 2HB ASN 40 -0.481 -3.463 -3.206 311 HB3 ASN 40 1HB ASN 40 -1.237 -4.549 -4.359 312 HD21 ASN 40 1HD2 ASN 40 -0.237 -5.075 -1.692 313 HD22 ASN 40 2HD2 ASN 40 0.954 -6.314 -1.848 314 H VAL 41 H VAL 41 2.067 -1.849 -4.202 315 HA VAL 41 HA VAL 41 0.298 0.308 -3.604 316 HB VAL 41 HB VAL 41 2.598 -0.548 -2.427 317 HG11 VAL 41 1HG1 VAL 41 3.959 0.526 -4.178 318 HG12 VAL 41 2HG1 VAL 41 4.231 1.226 -2.586 319 HG13 VAL 41 3HG1 VAL 41 3.234 2.076 -3.765 320 HG21 VAL 41 3HG2 VAL 41 1.559 2.248 -2.087 321 HG22 VAL 41 1HG2 VAL 41 2.195 1.148 -0.864 322 HG23 VAL 41 2HG2 VAL 41 0.621 0.836 -1.597 323 H SER 42 H SER 42 2.410 -0.315 -6.342 324 HA SER 42 HA SER 42 1.650 1.327 -8.178 325 HB2 SER 42 2HB SER 42 1.366 3.444 -7.344 326 HB3 SER 42 1HB SER 42 2.470 3.193 -5.983 327 HG SER 42 HG SER 42 2.961 4.625 -8.045 328 H ARG 43 H ARG 43 4.882 2.519 -6.895 329 HA ARG 43 HA ARG 43 6.263 0.425 -8.273 330 HB2 ARG 43 2HB ARG 43 5.468 2.601 -9.826 331 HB3 ARG 43 1HB ARG 43 7.149 2.945 -9.443 332 HG2 ARG 43 2HG ARG 43 6.518 0.204 -10.358 333 HG3 ARG 43 1HG ARG 43 6.406 1.499 -11.551 334 HD2 ARG 43 2HD ARG 43 8.609 1.329 -11.811 335 HD3 ARG 43 1HD ARG 43 8.781 1.994 -10.188 336 HE ARG 43 HE ARG 43 8.380 -0.676 -9.793 337 HH11 ARG 43 1HH1 ARG 43 10.670 1.222 -11.617 338 HH12 ARG 43 2HH1 ARG 43 11.947 0.063 -11.461 339 HH21 ARG 43 1HH2 ARG 43 10.057 -2.204 -9.586 340 HH22 ARG 43 2HH2 ARG 43 11.599 -1.882 -10.308 341 H ALA 44 H ALA 44 8.797 1.141 -8.340 342 HA ALA 44 HA ALA 44 9.426 1.786 -5.614 343 HB1 ALA 44 1HB ALA 44 11.526 1.693 -7.737 344 HB2 ALA 44 2HB ALA 44 10.630 0.223 -7.353 345 HB3 ALA 44 3HB ALA 44 11.549 1.047 -6.093 346 H GLY 45 H GLY 45 8.267 4.145 -5.879 347 HA2 GLY 45 2HA GLY 45 8.685 6.390 -5.760 348 HA3 GLY 45 1HA GLY 45 10.394 6.035 -5.944 349 H VAL 46 H VAL 46 9.154 4.575 -8.552 350 HA VAL 46 HA VAL 46 9.361 5.056 -10.769 351 HB VAL 46 HB VAL 46 7.066 6.100 -9.812 352 HG11 VAL 46 1HG1 VAL 46 6.659 8.299 -10.467 353 HG12 VAL 46 2HG1 VAL 46 8.116 8.371 -11.461 354 HG13 VAL 46 3HG1 VAL 46 8.246 8.380 -9.701 355 HG21 VAL 46 3HG2 VAL 46 6.627 6.583 -12.349 356 HG22 VAL 46 1HG2 VAL 46 6.919 4.941 -11.776 357 HG23 VAL 46 2HG2 VAL 46 8.222 5.854 -12.541 358 H SER 47 H SER 47 11.744 5.759 -9.867 359 HA SER 47 HA SER 47 13.248 7.665 -9.552 360 HB2 SER 47 2HB SER 47 14.052 6.045 -11.119 361 HB3 SER 47 1HB SER 47 12.927 6.600 -12.370 362 HG SER 47 HG SER 47 14.908 8.303 -11.288 363 H GLY 48 H GLY 48 11.580 8.245 -12.867 364 HA2 GLY 48 2HA GLY 48 12.173 10.930 -12.992 365 HA3 GLY 48 1HA GLY 48 10.759 10.194 -13.728 366 H CYS 49 H CYS 49 10.401 12.689 -13.059 367 HA CYS 49 HA CYS 49 9.665 13.269 -10.410 368 HB2 CYS 49 2HB CYS 49 8.458 14.542 -12.867 369 HB3 CYS 49 1HB CYS 49 8.680 15.263 -11.278 370 HG CYS 49 HG CYS 49 10.508 16.065 -13.056 371 H PHE 50 H PHE 50 6.953 14.365 -11.108 372 HA PHE 50 HA PHE 50 4.741 13.767 -11.151 373 HB2 PHE 50 2HB PHE 50 5.642 11.984 -12.849 374 HB3 PHE 50 1HB PHE 50 5.460 10.858 -11.509 375 HD1 PHE 50 2HD PHE 50 3.241 10.385 -10.578 376 HD2 PHE 50 1HD PHE 50 3.747 12.879 -13.990 377 HE1 PHE 50 2HE PHE 50 0.850 10.145 -11.104 378 HE2 PHE 50 1HE PHE 50 1.356 12.644 -14.520 379 HZ PHE 50 HZ PHE 50 -0.096 11.276 -13.076 380 H SER 51 H SER 51 6.667 11.043 -9.576 381 HA SER 51 HA SER 51 5.014 11.550 -7.186 382 HB2 SER 51 2HB SER 51 4.789 9.258 -6.764 383 HB3 SER 51 1HB SER 51 4.580 9.367 -8.509 384 HG SER 51 HG SER 51 6.702 8.321 -7.026 385 H THR 52 H THR 52 7.961 9.727 -8.058 386 HA THR 52 HA THR 52 9.948 9.481 -6.961 387 HB THR 52 HB THR 52 10.826 11.794 -6.096 388 HG1 THR 52 1HG THR 52 8.818 12.837 -6.072 389 HG21 THR 52 3HG2 THR 52 10.751 10.599 -8.648 390 HG22 THR 52 1HG2 THR 52 11.915 11.761 -8.011 391 HG23 THR 52 2HG2 THR 52 10.475 12.328 -8.859 392 H PHE 53 H PHE 53 8.069 8.497 -5.344 393 HA PHE 53 HA PHE 53 8.509 9.736 -2.720 394 HB2 PHE 53 2HB PHE 53 6.607 8.171 -2.022 395 HB3 PHE 53 1HB PHE 53 6.202 9.545 -3.037 396 HD1 PHE 53 1HD PHE 53 7.530 6.124 -3.832 397 HD2 PHE 53 2HD PHE 53 4.438 9.006 -4.378 398 HE1 PHE 53 1HE PHE 53 6.425 4.633 -5.440 399 HE2 PHE 53 2HE PHE 53 3.331 7.514 -5.989 400 HZ PHE 53 HZ PHE 53 4.326 5.324 -6.521 401 H GLN 54 H GLN 54 10.682 8.428 -3.614 402 HA GLN 54 HA GLN 54 11.549 6.062 -3.526 403 HB2 GLN 54 2HB GLN 54 12.864 8.074 -2.780 404 HB3 GLN 54 1HB GLN 54 12.305 7.749 -1.148 405 HG2 GLN 54 2HG GLN 54 13.376 5.478 -1.355 406 HG3 GLN 54 1HG GLN 54 14.111 6.059 -2.849 407 HE21 GLN 54 1HE2 GLN 54 13.553 7.631 0.282 408 HE22 GLN 54 2HE2 GLN 54 15.207 8.041 0.562 409 HA PRO 55 HA PRO 55 8.973 3.722 -0.653 410 HB2 PRO 55 2HB PRO 55 10.718 1.455 -1.301 411 HB3 PRO 55 1HB PRO 55 8.980 1.646 -1.532 412 HG2 PRO 55 2HG PRO 55 10.700 1.666 -3.604 413 HG3 PRO 55 1HG PRO 55 9.213 2.630 -3.595 414 HD2 PRO 55 2HD PRO 55 12.036 3.479 -3.096 415 HD3 PRO 55 1HD PRO 55 10.738 4.323 -3.977 416 H THR 56 H THR 56 12.497 3.662 -0.632 417 HA THR 56 HA THR 56 13.074 2.300 1.693 418 HB THR 56 HB THR 56 15.075 3.574 1.839 419 HG1 THR 56 1HG THR 56 14.523 5.651 1.929 420 HG21 THR 56 3HG2 THR 56 14.257 2.642 -0.648 421 HG22 THR 56 1HG2 THR 56 15.903 2.996 -0.124 422 HG23 THR 56 2HG2 THR 56 14.958 4.232 -0.953 423 H THR 57 H THR 57 11.844 5.726 1.379 424 HA THR 57 HA THR 57 12.060 6.538 3.999 425 HB THR 57 HB THR 57 11.271 7.946 2.120 426 HG1 THR 57 1HG THR 57 9.479 7.841 4.315 427 HG21 THR 57 3HG2 THR 57 8.460 7.268 2.423 428 HG22 THR 57 1HG2 THR 57 9.404 6.000 1.644 429 HG23 THR 57 2HG2 THR 57 9.390 7.630 0.970 430 H GLY 58 H GLY 58 9.845 4.210 2.624 431 HA2 GLY 58 2HA GLY 58 9.017 2.565 4.332 432 HA3 GLY 58 1HA GLY 58 8.583 3.967 5.279 433 H HIS 59 H HIS 59 7.669 2.261 2.181 434 HA HIS 59 HA HIS 59 5.374 3.969 1.931 435 HB2 HIS 59 2HB HIS 59 6.718 2.025 0.281 436 HB3 HIS 59 1HB HIS 59 4.985 1.707 0.305 437 HD1 HIS 59 1HD HIS 59 7.043 4.903 0.072 438 HD2 HIS 59 2HD HIS 59 3.866 2.991 -1.817 439 HE1 HIS 59 1HE HIS 59 6.301 6.467 -1.745 440 HE2 HIS 59 2HE HIS 59 4.422 5.263 -2.917 441 H ARG 60 H ARG 60 3.445 3.696 2.669 442 HA ARG 60 HA ARG 60 2.771 1.223 4.116 443 HB2 ARG 60 2HB ARG 60 1.461 2.683 5.607 444 HB3 ARG 60 1HB ARG 60 3.114 3.229 5.478 445 HG2 ARG 60 2HG ARG 60 2.417 4.907 3.801 446 HG3 ARG 60 1HG ARG 60 0.744 4.452 4.096 447 HD2 ARG 60 2HD ARG 60 2.589 6.063 5.720 448 HD3 ARG 60 1HD ARG 60 0.835 6.129 5.605 449 HE ARG 60 HE ARG 60 0.677 4.622 7.360 450 HH11 ARG 60 1HH1 ARG 60 4.014 5.001 6.387 451 HH12 ARG 60 2HH1 ARG 60 4.640 4.201 7.790 452 HH21 ARG 60 1HH2 ARG 60 1.509 3.571 9.203 453 HH22 ARG 60 2HH2 ARG 60 3.222 3.390 9.385 454 H LEU 61 H LEU 61 0.218 0.842 4.140 455 HA LEU 61 HA LEU 61 -0.842 1.426 1.458 456 HB2 LEU 61 2HB LEU 61 -1.131 -1.023 3.188 457 HB3 LEU 61 1HB LEU 61 -2.113 -0.752 1.783 458 HG LEU 61 HG LEU 61 0.473 -1.917 1.950 459 HD11 LEU 61 1HD1 LEU 61 0.079 -2.467 -0.396 460 HD12 LEU 61 2HD1 LEU 61 -1.332 -1.415 -0.387 461 HD13 LEU 61 3HD1 LEU 61 -1.288 -2.849 0.639 462 HD21 LEU 61 3HD2 LEU 61 1.418 -0.706 -0.067 463 HD22 LEU 61 1HD2 LEU 61 1.570 0.088 1.496 464 HD23 LEU 61 2HD2 LEU 61 0.326 0.607 0.357 465 H CYS 62 H CYS 62 -3.441 1.487 1.273 466 HA CYS 62 HA CYS 62 -4.441 2.665 3.739 467 HB2 CYS 62 2HB CYS 62 -5.891 4.095 2.448 468 HB3 CYS 62 1HB CYS 62 -4.285 4.201 1.821 469 H SER 63 H SER 63 -6.582 2.516 4.411 470 HA SER 63 HA SER 63 -7.432 0.423 5.492 471 HB2 SER 63 2HB SER 63 -8.573 2.882 4.700 472 HB3 SER 63 1HB SER 63 -9.821 1.662 4.521 473 HG SER 63 HG SER 63 -9.252 0.989 6.707 474 H VAL 64 H VAL 64 -9.585 1.205 2.996 475 HA VAL 64 HA VAL 64 -11.027 -1.059 2.875 476 HB VAL 64 HB VAL 64 -11.899 -0.157 0.707 477 HG11 VAL 64 1HG1 VAL 64 -12.503 0.571 3.116 478 HG12 VAL 64 2HG1 VAL 64 -12.968 1.632 1.784 479 HG13 VAL 64 3HG1 VAL 64 -11.545 2.011 2.760 480 HG21 VAL 64 3HG2 VAL 64 -10.999 2.087 0.104 481 HG22 VAL 64 1HG2 VAL 64 -9.868 0.766 -0.185 482 HG23 VAL 64 2HG2 VAL 64 -9.666 1.808 1.228 483 H HIS 65 H HIS 65 -8.214 -1.958 2.282 484 HA HIS 65 HA HIS 65 -8.666 -3.188 -0.368 485 HB2 HIS 65 2HB HIS 65 -6.208 -3.728 1.211 486 HB3 HIS 65 1HB HIS 65 -6.421 -3.675 -0.536 487 HD1 HIS 65 1HD HIS 65 -7.996 -0.770 0.210 488 HD2 HIS 65 2HD HIS 65 -4.074 -1.953 0.542 489 HE1 HIS 65 1HE HIS 65 -6.716 1.331 0.492 490 H PHE 66 H PHE 66 -7.706 -4.418 2.928 491 HA PHE 66 HA PHE 66 -7.965 -7.086 2.133 492 HB2 PHE 66 2HB PHE 66 -8.288 -6.204 4.999 493 HB3 PHE 66 1HB PHE 66 -7.468 -7.628 4.369 494 HD1 PHE 66 2HD PHE 66 -5.216 -7.471 3.458 495 HD2 PHE 66 1HD PHE 66 -7.149 -4.076 5.147 496 HE1 PHE 66 2HE PHE 66 -3.057 -6.313 3.590 497 HE2 PHE 66 1HE PHE 66 -4.986 -2.906 5.271 498 HZ PHE 66 HZ PHE 66 -2.928 -4.024 4.481 499 H GLN 67 H GLN 67 -9.699 -8.599 3.392 500 HA GLN 67 HA GLN 67 -12.232 -7.398 2.772 501 HB2 GLN 67 2HB GLN 67 -12.803 -9.931 3.757 502 HB3 GLN 67 1HB GLN 67 -12.621 -9.497 2.073 503 HG2 GLN 67 2HG GLN 67 -11.291 -11.405 2.436 504 HG3 GLN 67 1HG GLN 67 -10.183 -10.043 2.300 505 HE21 GLN 67 1HE2 GLN 67 -11.694 -12.302 4.496 506 HE22 GLN 67 2HE2 GLN 67 -10.559 -12.113 5.785 507 H GLY 68 H GLY 68 -14.055 -7.249 4.595 508 HA2 GLY 68 2HA GLY 68 -14.198 -6.173 6.746 509 HA3 GLY 68 1HA GLY 68 -14.358 -7.889 7.018 510 H GLY 69 H GLY 69 -11.867 -5.227 7.109 511 HA2 GLY 69 2HA GLY 69 -9.708 -5.407 8.051 512 HA3 GLY 69 1HA GLY 69 -10.789 -5.231 9.415 513 H ARG 70 H ARG 70 -8.237 -6.969 8.204 514 HA ARG 70 HA ARG 70 -7.767 -8.579 10.295 515 HB2 ARG 70 2HB ARG 70 -9.587 -9.964 10.324 516 HB3 ARG 70 1HB ARG 70 -9.916 -9.751 8.615 517 HG2 ARG 70 2HG ARG 70 -8.273 -11.365 8.023 518 HG3 ARG 70 1HG ARG 70 -7.667 -11.439 9.681 519 HD2 ARG 70 2HD ARG 70 -10.537 -12.053 9.209 520 HD3 ARG 70 1HD ARG 70 -9.343 -13.249 8.712 521 HE ARG 70 HE ARG 70 -8.771 -13.594 10.943 522 HH11 ARG 70 1HH1 ARG 70 -11.172 -11.071 10.650 523 HH12 ARG 70 2HH1 ARG 70 -11.576 -11.094 12.333 524 HH21 ARG 70 1HH2 ARG 70 -9.305 -13.618 13.151 525 HH22 ARG 70 2HH2 ARG 70 -10.518 -12.537 13.752 526 H LYS 71 H LYS 71 -8.027 -8.699 6.791 527 HA LYS 71 HA LYS 71 -6.502 -9.093 5.167 528 HB2 LYS 71 2HB LYS 71 -5.251 -7.319 6.175 529 HB3 LYS 71 1HB LYS 71 -4.672 -8.382 7.443 530 HG2 LYS 71 2HG LYS 71 -3.365 -9.629 5.757 531 HG3 LYS 71 1HG LYS 71 -3.902 -8.480 4.535 532 HD2 LYS 71 2HD LYS 71 -1.601 -8.106 5.599 533 HD3 LYS 71 1HD LYS 71 -2.680 -6.722 5.490 534 HE2 LYS 71 2HE LYS 71 -3.408 -7.338 7.879 535 HE3 LYS 71 1HE LYS 71 -1.955 -8.353 7.889 536 HZ1 LYS 71 3HZ LYS 71 -1.560 -6.144 8.830 537 HZ2 LYS 71 1HZ LYS 71 -1.977 -5.433 7.350 538 HZ3 LYS 71 2HZ LYS 71 -0.608 -6.421 7.460 539 H THR 72 H THR 72 -7.395 -11.362 5.488 540 HA THR 72 HA THR 72 -5.342 -13.230 5.187 541 HB THR 72 HB THR 72 -6.071 -14.583 7.346 542 HG1 THR 72 1HG THR 72 -6.881 -13.423 8.897 543 HG21 THR 72 3HG2 THR 72 -3.993 -14.251 8.010 544 HG22 THR 72 1HG2 THR 72 -4.280 -12.530 8.277 545 HG23 THR 72 2HG2 THR 72 -3.841 -13.114 6.668 546 H TYR 73 H TYR 73 -6.406 -15.592 5.807 547 HA TYR 73 HA TYR 73 -8.098 -17.098 5.489 548 HB2 TYR 73 2HB TYR 73 -9.579 -14.788 5.909 549 HB3 TYR 73 1HB TYR 73 -10.149 -15.371 4.349 550 HD1 TYR 73 2HD TYR 73 -10.052 -18.270 4.654 551 HD2 TYR 73 1HD TYR 73 -11.224 -15.291 7.456 552 HE1 TYR 73 2HE TYR 73 -11.477 -19.915 5.798 553 HE2 TYR 73 1HE TYR 73 -12.653 -16.928 8.608 554 HH TYR 73 HH TYR 73 -13.764 -19.016 8.197 555 H THR 74 H THR 74 -6.912 -14.899 3.169 556 HA THR 74 HA THR 74 -6.761 -16.829 1.143 557 HB THR 74 HB THR 74 -8.489 -14.936 -0.138 558 HG1 THR 74 1HG THR 74 -9.931 -16.357 1.802 559 HG21 THR 74 3HG2 THR 74 -8.912 -16.778 -1.276 560 HG22 THR 74 1HG2 THR 74 -9.812 -17.406 0.105 561 HG23 THR 74 2HG2 THR 74 -8.091 -17.757 -0.061 562 H VAL 75 H VAL 75 -7.143 -13.376 1.753 563 HA VAL 75 HA VAL 75 -5.360 -12.696 -0.422 564 HB VAL 75 HB VAL 75 -6.275 -10.613 1.489 565 HG11 VAL 75 1HG1 VAL 75 -4.953 -10.143 -0.560 566 HG12 VAL 75 2HG1 VAL 75 -6.515 -9.324 -0.534 567 HG13 VAL 75 3HG1 VAL 75 -6.293 -10.768 -1.521 568 HG21 VAL 75 3HG2 VAL 75 -8.128 -12.182 -0.291 569 HG22 VAL 75 1HG2 VAL 75 -8.480 -10.532 0.224 570 HG23 VAL 75 2HG2 VAL 75 -8.307 -11.812 1.425 571 H ARG 76 H ARG 76 -3.214 -12.335 -0.241 572 HA ARG 76 HA ARG 76 -2.120 -12.026 2.474 573 HB2 ARG 76 2HB ARG 76 -1.394 -14.019 1.104 574 HB3 ARG 76 1HB ARG 76 -0.600 -12.893 0.012 575 HG2 ARG 76 2HG ARG 76 0.905 -13.942 1.694 576 HG3 ARG 76 1HG ARG 76 0.902 -12.177 1.719 577 HD2 ARG 76 2HD ARG 76 -0.150 -12.070 3.744 578 HD3 ARG 76 1HD ARG 76 -0.997 -13.597 3.506 579 HE ARG 76 HE ARG 76 0.809 -14.723 4.394 580 HH11 ARG 76 1HH1 ARG 76 1.639 -11.368 3.896 581 HH12 ARG 76 2HH1 ARG 76 3.103 -11.464 4.817 582 HH21 ARG 76 1HH2 ARG 76 2.736 -14.849 5.601 583 HH22 ARG 76 2HH2 ARG 76 3.725 -13.439 5.784 584 H VAL 77 H VAL 77 -1.939 -10.738 -0.829 585 HA VAL 77 HA VAL 77 -0.506 -8.403 0.250 586 HB VAL 77 HB VAL 77 0.616 -8.112 -1.810 587 HG11 VAL 77 1HG1 VAL 77 1.847 -10.021 -2.042 588 HG12 VAL 77 2HG1 VAL 77 0.436 -11.076 -1.944 589 HG13 VAL 77 3HG1 VAL 77 1.074 -10.318 -0.484 590 HG21 VAL 77 3HG2 VAL 77 0.005 -9.152 -3.895 591 HG22 VAL 77 1HG2 VAL 77 -1.368 -8.266 -3.239 592 HG23 VAL 77 2HG2 VAL 77 -1.314 -10.024 -3.109 593 HA PRO 78 HA PRO 78 -4.336 -6.081 -0.215 594 HB2 PRO 78 2HB PRO 78 -2.227 -3.999 -0.640 595 HB3 PRO 78 1HB PRO 78 -3.738 -3.869 0.259 596 HG2 PRO 78 2HG PRO 78 -1.623 -4.304 1.667 597 HG3 PRO 78 1HG PRO 78 -2.955 -5.458 1.890 598 HD2 PRO 78 2HD PRO 78 -0.531 -5.726 0.166 599 HD3 PRO 78 1HD PRO 78 -1.142 -6.881 1.377 600 H THR 79 H THR 79 -3.578 -7.274 -2.892 601 HA THR 79 HA THR 79 -4.107 -4.741 -4.292 602 HB THR 79 HB THR 79 -3.139 -5.598 -6.219 603 HG1 THR 79 1HG THR 79 -3.865 -8.224 -5.444 604 HG21 THR 79 3HG2 THR 79 -1.141 -6.280 -5.622 605 HG22 THR 79 1HG2 THR 79 -1.771 -7.835 -5.086 606 HG23 THR 79 2HG2 THR 79 -1.732 -6.468 -3.972 607 H ILE 80 H ILE 80 -6.167 -4.334 -4.244 608 HA ILE 80 HA ILE 80 -8.054 -6.377 -5.199 609 HB ILE 80 HB ILE 80 -8.124 -4.951 -2.672 610 HG12 ILE 80 2HG1 ILE 80 -10.479 -6.477 -2.964 611 HG13 ILE 80 1HG1 ILE 80 -9.236 -7.317 -3.889 612 HG21 ILE 80 1HG2 ILE 80 -10.334 -4.268 -4.573 613 HG22 ILE 80 2HG2 ILE 80 -9.423 -3.213 -3.492 614 HG23 ILE 80 3HG2 ILE 80 -10.605 -4.340 -2.832 615 HD11 ILE 80 3HD1 ILE 80 -8.453 -8.176 -2.010 616 HD12 ILE 80 1HD1 ILE 80 -9.678 -7.301 -1.088 617 HD13 ILE 80 2HD1 ILE 80 -8.108 -6.556 -1.405 618 H PHE 81 H PHE 81 -8.050 -5.589 -7.382 619 HA PHE 81 HA PHE 81 -9.326 -3.031 -7.749 620 HB2 PHE 81 2HB PHE 81 -6.663 -3.202 -9.132 621 HB3 PHE 81 1HB PHE 81 -7.624 -1.785 -8.753 622 HD1 PHE 81 1HD PHE 81 -7.896 -1.493 -6.020 623 HD2 PHE 81 2HD PHE 81 -4.631 -3.329 -8.055 624 HE1 PHE 81 1HE PHE 81 -6.467 -1.098 -4.074 625 HE2 PHE 81 2HE PHE 81 -3.182 -2.912 -6.086 626 HZ PHE 81 HZ PHE 81 -4.123 -1.821 -4.069 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 6.579 20.163 1.386 2 H2 GLY 1 2HT GLY 1 7.373 18.698 1.673 3 H3 GLY 1 3HT GLY 1 7.995 20.134 2.314 4 HA2 GLY 1 1HA GLY 1 6.974 19.331 4.165 5 HA3 GLY 1 2HA GLY 1 5.674 20.281 3.462 6 H SER 2 H SER 2 5.382 18.288 1.253 7 HA SER 2 HA SER 2 4.488 15.888 2.609 8 HB2 SER 2 2HB SER 2 2.165 16.196 1.499 9 HB3 SER 2 1HB SER 2 2.501 17.074 2.990 10 HG SER 2 HG SER 2 1.832 18.687 1.778 11 HA PRO 3 HA PRO 3 5.933 15.124 -1.691 12 HB2 PRO 3 2HB PRO 3 7.525 13.033 -1.135 13 HB3 PRO 3 1HB PRO 3 8.049 14.699 -0.865 14 HG2 PRO 3 2HG PRO 3 6.998 12.705 1.106 15 HG3 PRO 3 1HG PRO 3 8.366 13.821 1.267 16 HD2 PRO 3 2HD PRO 3 5.886 14.304 2.318 17 HD3 PRO 3 1HD PRO 3 7.018 15.585 1.843 18 H GLY 4 H GLY 4 3.934 13.560 0.492 19 HA2 GLY 4 2HA GLY 4 2.490 11.791 0.356 20 HA3 GLY 4 1HA GLY 4 2.441 12.191 -1.355 21 H PHE 5 H PHE 5 2.045 9.623 -1.164 22 HA PHE 5 HA PHE 5 4.645 8.384 -1.705 23 HB2 PHE 5 2HB PHE 5 2.585 7.455 0.262 24 HB3 PHE 5 1HB PHE 5 3.746 6.337 -0.431 25 HD1 PHE 5 2HD PHE 5 6.089 8.315 -0.524 26 HD2 PHE 5 1HD PHE 5 3.271 7.327 2.508 27 HE1 PHE 5 2HE PHE 5 7.712 8.985 1.194 28 HE2 PHE 5 1HE PHE 5 4.890 7.996 4.234 29 HZ PHE 5 HZ PHE 5 7.115 8.825 3.578 30 H THR 6 H THR 6 1.150 8.129 -2.068 31 HA THR 6 HA THR 6 -0.126 7.393 -3.818 32 HB THR 6 HB THR 6 2.246 6.205 -5.199 33 HG1 THR 6 1HG THR 6 1.565 8.938 -5.425 34 HG21 THR 6 3HG2 THR 6 0.897 7.503 -7.096 35 HG22 THR 6 1HG2 THR 6 -0.424 7.181 -5.974 36 HG23 THR 6 2HG2 THR 6 0.533 5.845 -6.615 37 H CYS 7 H CYS 7 -1.328 5.763 -2.954 38 HA CYS 7 HA CYS 7 -0.096 3.254 -2.174 39 HB2 CYS 7 2HB CYS 7 -1.804 3.817 -0.645 40 HB3 CYS 7 1HB CYS 7 -2.929 4.335 -1.890 41 H CYS 8 H CYS 8 -0.738 4.443 -5.096 42 HA CYS 8 HA CYS 8 -1.283 3.537 -7.124 43 HB2 CYS 8 2HB CYS 8 0.428 1.925 -6.724 44 HB3 CYS 8 1HB CYS 8 -0.532 1.078 -5.526 45 HG CYS 8 HG CYS 8 -1.304 0.960 -8.544 46 H VAL 9 H VAL 9 -3.100 4.156 -5.070 47 HA VAL 9 HA VAL 9 -5.237 2.306 -4.819 48 HB VAL 9 HB VAL 9 -4.951 3.838 -3.054 49 HG11 VAL 9 1HG1 VAL 9 -5.185 6.404 -3.822 50 HG12 VAL 9 2HG1 VAL 9 -4.368 5.707 -5.219 51 HG13 VAL 9 3HG1 VAL 9 -3.657 5.553 -3.612 52 HG21 VAL 9 3HG2 VAL 9 -7.394 3.771 -4.147 53 HG22 VAL 9 1HG2 VAL 9 -7.061 5.496 -4.290 54 HG23 VAL 9 2HG2 VAL 9 -7.002 4.721 -2.701 55 HA PRO 10 HA PRO 10 -6.849 3.586 -8.873 56 HB2 PRO 10 2HB PRO 10 -8.115 1.305 -9.453 57 HB3 PRO 10 1HB PRO 10 -6.353 1.410 -9.556 58 HG2 PRO 10 2HG PRO 10 -8.056 0.246 -7.388 59 HG3 PRO 10 1HG PRO 10 -6.562 -0.392 -8.100 60 HD2 PRO 10 2HD PRO 10 -6.679 0.993 -5.722 61 HD3 PRO 10 1HD PRO 10 -5.242 0.886 -6.748 62 H GLY 11 H GLY 11 -8.400 2.220 -6.071 63 HA2 GLY 11 2HA GLY 11 -10.551 4.067 -6.231 64 HA3 GLY 11 1HA GLY 11 -11.065 2.452 -6.685 65 H CYS 12 H CYS 12 -8.538 2.495 -4.284 66 HA CYS 12 HA CYS 12 -10.356 1.331 -2.464 67 HB2 CYS 12 2HB CYS 12 -8.319 1.854 -0.763 68 HB3 CYS 12 1HB CYS 12 -8.418 0.442 -1.783 69 H TYR 13 H TYR 13 -9.091 2.959 -0.091 70 HA TYR 13 HA TYR 13 -11.311 4.818 -0.044 71 HB2 TYR 13 2HB TYR 13 -10.626 3.078 1.764 72 HB3 TYR 13 1HB TYR 13 -9.528 4.341 2.273 73 HD1 TYR 13 1HD TYR 13 -11.755 6.479 1.247 74 HD2 TYR 13 2HD TYR 13 -11.663 3.251 4.017 75 HE1 TYR 13 1HE TYR 13 -13.587 7.520 2.513 76 HE2 TYR 13 2HE TYR 13 -13.497 4.284 5.289 77 HH TYR 13 HH TYR 13 -14.556 6.378 5.624 78 H ASN 14 H ASN 14 -7.924 4.819 0.747 79 HA ASN 14 HA ASN 14 -7.791 7.716 0.362 80 HB2 ASN 14 2HB ASN 14 -5.715 6.771 2.032 81 HB3 ASN 14 1HB ASN 14 -6.960 7.935 2.409 82 HD21 ASN 14 1HD2 ASN 14 -9.194 6.714 2.637 83 HD22 ASN 14 2HD2 ASN 14 -9.162 5.368 3.722 84 H ASN 15 H ASN 15 -5.546 8.564 -0.391 85 HA ASN 15 HA ASN 15 -4.287 6.430 -1.978 86 HB2 ASN 15 2HB ASN 15 -5.267 8.348 -3.247 87 HB3 ASN 15 1HB ASN 15 -4.188 9.424 -2.378 88 HD21 ASN 15 1HD2 ASN 15 -4.620 8.139 -5.251 89 HD22 ASN 15 2HD2 ASN 15 -2.986 7.958 -5.783 90 H SER 16 H SER 16 -1.685 6.728 -2.098 91 HA SER 16 HA SER 16 -0.880 7.388 0.567 92 HB2 SER 16 2HB SER 16 -0.244 5.205 -0.769 93 HB3 SER 16 1HB SER 16 0.971 6.179 -1.530 94 HG SER 16 HG SER 16 0.675 5.640 1.228 95 H HIS 17 H HIS 17 -1.204 9.308 -2.159 96 HA HIS 17 HA HIS 17 0.706 11.223 -1.132 97 HB2 HIS 17 2HB HIS 17 2.253 10.415 -2.642 98 HB3 HIS 17 1HB HIS 17 1.064 9.883 -3.795 99 HD1 HIS 17 1HD HIS 17 1.571 11.099 -5.889 100 HD2 HIS 17 2HD HIS 17 1.854 13.575 -2.562 101 HE1 HIS 17 1HE HIS 17 2.075 13.390 -6.796 102 HE2 HIS 17 2HE HIS 17 2.349 14.848 -4.759 103 H ARG 18 H ARG 18 -1.912 11.641 -0.828 104 HA ARG 18 HA ARG 18 -2.384 14.014 -2.271 105 HB2 ARG 18 2HB ARG 18 -4.218 13.455 -3.674 106 HB3 ARG 18 1HB ARG 18 -2.922 12.332 -4.050 107 HG2 ARG 18 2HG ARG 18 -4.355 10.688 -3.767 108 HG3 ARG 18 1HG ARG 18 -4.438 11.110 -2.055 109 HD2 ARG 18 2HD ARG 18 -6.326 12.475 -2.383 110 HD3 ARG 18 1HD ARG 18 -6.123 12.476 -4.132 111 HE ARG 18 HE ARG 18 -7.510 10.539 -2.574 112 HH11 ARG 18 1HH1 ARG 18 -5.565 10.922 -5.445 113 HH12 ARG 18 2HH1 ARG 18 -6.246 9.543 -6.243 114 HH21 ARG 18 1HH2 ARG 18 -8.404 8.722 -3.621 115 HH22 ARG 18 2HH2 ARG 18 -7.856 8.295 -5.207 116 H ASP 19 H ASP 19 -2.752 12.289 0.362 117 HA ASP 19 HA ASP 19 -4.778 14.003 1.447 118 HB2 ASP 19 2HB ASP 19 -5.332 11.072 1.741 119 HB3 ASP 19 1HB ASP 19 -6.367 12.439 2.114 120 H LYS 20 H LYS 20 -3.544 10.846 2.429 121 HA LYS 20 HA LYS 20 -2.305 10.200 4.206 122 HB2 LYS 20 2HB LYS 20 -0.384 11.307 3.886 123 HB3 LYS 20 1HB LYS 20 -1.222 12.760 3.384 124 HG2 LYS 20 2HG LYS 20 0.009 13.464 5.201 125 HG3 LYS 20 1HG LYS 20 -1.570 13.161 5.918 126 HD2 LYS 20 2HD LYS 20 -0.582 10.770 6.340 127 HD3 LYS 20 1HD LYS 20 0.965 11.599 6.161 128 HE2 LYS 20 2HE LYS 20 0.824 12.301 8.261 129 HE3 LYS 20 1HE LYS 20 -0.654 13.177 7.865 130 HZ1 LYS 20 3HZ LYS 20 -0.641 10.295 8.548 131 HZ2 LYS 20 1HZ LYS 20 -1.968 11.343 8.484 132 HZ3 LYS 20 2HZ LYS 20 -0.819 11.506 9.714 133 H ALA 21 H ALA 21 -5.010 11.807 4.464 134 HA ALA 21 HA ALA 21 -4.798 12.248 7.371 135 HB1 ALA 21 1HB ALA 21 -7.072 13.168 5.644 136 HB2 ALA 21 2HB ALA 21 -5.595 14.111 5.845 137 HB3 ALA 21 3HB ALA 21 -6.601 13.738 7.246 138 H LEU 22 H LEU 22 -5.373 9.609 5.754 139 HA LEU 22 HA LEU 22 -7.795 8.943 7.275 140 HB2 LEU 22 2HB LEU 22 -7.011 7.854 4.547 141 HB3 LEU 22 1HB LEU 22 -8.436 7.347 5.474 142 HG LEU 22 HG LEU 22 -9.019 8.887 3.711 143 HD11 LEU 22 1HD1 LEU 22 -9.540 9.342 6.545 144 HD12 LEU 22 2HD1 LEU 22 -10.656 9.250 5.183 145 HD13 LEU 22 3HD1 LEU 22 -9.820 10.763 5.536 146 HD21 LEU 22 3HD2 LEU 22 -7.850 11.219 5.025 147 HD22 LEU 22 1HD2 LEU 22 -8.085 10.844 3.322 148 HD23 LEU 22 2HD2 LEU 22 -6.711 10.157 4.191 149 H HIS 23 H HIS 23 -6.529 5.844 6.176 150 HA HIS 23 HA HIS 23 -5.019 5.709 8.660 151 HB2 HIS 23 2HB HIS 23 -7.396 4.425 8.095 152 HB3 HIS 23 1HB HIS 23 -6.200 3.193 7.706 153 HD1 HIS 23 1HD HIS 23 -5.920 1.687 9.635 154 HD2 HIS 23 2HD HIS 23 -6.484 5.624 10.838 155 HE1 HIS 23 1HE HIS 23 -5.779 1.650 12.145 156 HE2 HIS 23 2HE HIS 23 -6.176 4.035 12.854 157 H PHE 24 H PHE 24 -2.938 4.484 8.502 158 HA PHE 24 HA PHE 24 -2.447 3.404 5.838 159 HB2 PHE 24 2HB PHE 24 -0.637 5.166 7.451 160 HB3 PHE 24 1HB PHE 24 -0.099 4.246 6.062 161 HD1 PHE 24 2HD PHE 24 -2.235 7.014 7.180 162 HD2 PHE 24 1HD PHE 24 -0.665 4.955 3.796 163 HE1 PHE 24 2HE PHE 24 -2.957 8.849 5.707 164 HE2 PHE 24 1HE PHE 24 -1.357 6.788 2.342 165 HZ PHE 24 HZ PHE 24 -2.520 8.727 3.280 166 H TYR 25 H TYR 25 -1.759 1.148 5.936 167 HA TYR 25 HA TYR 25 -0.911 0.108 8.494 168 HB2 TYR 25 2HB TYR 25 -1.339 -1.292 5.826 169 HB3 TYR 25 1HB TYR 25 -0.883 -2.106 7.311 170 HD1 TYR 25 1HD TYR 25 -3.497 0.408 6.357 171 HD2 TYR 25 2HD TYR 25 -2.585 -3.270 8.292 172 HE1 TYR 25 1HE TYR 25 -5.864 0.147 6.966 173 HE2 TYR 25 2HE TYR 25 -4.951 -3.544 8.906 174 HH TYR 25 HH TYR 25 -6.941 -2.118 9.238 175 H THR 26 H THR 26 1.218 -1.171 8.702 176 HA THR 26 HA THR 26 3.264 0.042 6.966 177 HB THR 26 HB THR 26 4.647 0.184 8.777 178 HG1 THR 26 1HG THR 26 3.572 -2.239 9.785 179 HG21 THR 26 3HG2 THR 26 2.506 1.108 9.639 180 HG22 THR 26 1HG2 THR 26 3.615 0.527 10.882 181 HG23 THR 26 2HG2 THR 26 2.217 -0.446 10.423 182 H PHE 27 H PHE 27 5.346 -1.510 6.808 183 HA PHE 27 HA PHE 27 4.325 -3.813 5.482 184 HB2 PHE 27 2HB PHE 27 6.920 -2.430 5.511 185 HB3 PHE 27 1HB PHE 27 6.797 -4.006 4.773 186 HD1 PHE 27 1HD PHE 27 3.850 -1.989 4.511 187 HD2 PHE 27 2HD PHE 27 7.616 -2.821 2.753 188 HE1 PHE 27 1HE PHE 27 3.115 -0.930 2.462 189 HE2 PHE 27 2HE PHE 27 6.902 -1.829 0.688 190 HZ PHE 27 HZ PHE 27 4.642 -0.839 0.488 191 HA PRO 28 HA PRO 28 5.475 -7.401 8.009 192 HB2 PRO 28 2HB PRO 28 6.837 -7.989 5.350 193 HB3 PRO 28 1HB PRO 28 6.036 -9.150 6.407 194 HG2 PRO 28 2HG PRO 28 4.728 -8.202 4.387 195 HG3 PRO 28 1HG PRO 28 3.921 -8.229 5.957 196 HD2 PRO 28 2HD PRO 28 4.998 -5.971 4.399 197 HD3 PRO 28 1HD PRO 28 3.640 -6.050 5.517 198 H LYS 29 H LYS 29 7.584 -8.666 8.543 199 HA LYS 29 HA LYS 29 9.745 -6.808 9.000 200 HB2 LYS 29 2HB LYS 29 10.783 -8.958 10.007 201 HB3 LYS 29 1HB LYS 29 9.433 -8.194 10.837 202 HG2 LYS 29 2HG LYS 29 8.503 -10.138 8.922 203 HG3 LYS 29 1HG LYS 29 9.671 -10.855 10.026 204 HD2 LYS 29 2HD LYS 29 8.333 -9.829 11.911 205 HD3 LYS 29 1HD LYS 29 7.097 -9.452 10.710 206 HE2 LYS 29 2HE LYS 29 7.503 -12.057 10.165 207 HE3 LYS 29 1HE LYS 29 7.878 -12.045 11.887 208 HZ1 LYS 29 3HZ LYS 29 5.662 -10.733 12.037 209 HZ2 LYS 29 1HZ LYS 29 5.628 -12.418 11.889 210 HZ3 LYS 29 2HZ LYS 29 5.336 -11.445 10.538 211 H ASP 30 H ASP 30 9.043 -9.407 6.861 212 HA ASP 30 HA ASP 30 11.759 -9.870 6.017 213 HB2 ASP 30 2HB ASP 30 9.837 -10.855 4.119 214 HB3 ASP 30 1HB ASP 30 10.854 -11.790 5.200 215 H ALA 31 H ALA 31 12.844 -8.437 4.752 216 HA ALA 31 HA ALA 31 11.895 -6.240 3.538 217 HB1 ALA 31 1HB ALA 31 13.962 -6.628 1.927 218 HB2 ALA 31 2HB ALA 31 14.307 -7.906 3.097 219 HB3 ALA 31 3HB ALA 31 14.140 -6.241 3.632 220 H GLU 32 H GLU 32 12.553 -9.176 1.431 221 HA GLU 32 HA GLU 32 11.334 -8.117 -0.847 222 HB2 GLU 32 2HB GLU 32 12.623 -10.084 -1.047 223 HB3 GLU 32 1HB GLU 32 11.676 -11.004 0.048 224 HG2 GLU 32 2HG GLU 32 10.432 -9.950 -2.452 225 HG3 GLU 32 1HG GLU 32 11.480 -11.367 -2.521 226 H LEU 33 H LEU 33 9.513 -10.419 1.375 227 HA LEU 33 HA LEU 33 7.165 -10.248 0.078 228 HB2 LEU 33 2HB LEU 33 7.686 -11.191 2.439 229 HB3 LEU 33 1HB LEU 33 7.256 -9.610 3.021 230 HG LEU 33 HG LEU 33 5.128 -10.162 3.042 231 HD11 LEU 33 1HD1 LEU 33 3.878 -10.826 1.029 232 HD12 LEU 33 2HD1 LEU 33 5.404 -10.973 0.158 233 HD13 LEU 33 3HD1 LEU 33 4.881 -9.404 0.767 234 HD21 LEU 33 3HD2 LEU 33 5.599 -12.298 3.702 235 HD22 LEU 33 1HD2 LEU 33 6.283 -12.733 2.138 236 HD23 LEU 33 2HD2 LEU 33 4.539 -12.558 2.321 237 H ARG 34 H ARG 34 8.725 -7.762 1.883 238 HA ARG 34 HA ARG 34 6.726 -5.810 1.953 239 HB2 ARG 34 2HB ARG 34 8.263 -4.512 2.970 240 HB3 ARG 34 1HB ARG 34 9.300 -5.914 2.903 241 HG2 ARG 34 2HG ARG 34 10.567 -4.054 2.180 242 HG3 ARG 34 1HG ARG 34 10.209 -4.988 0.738 243 HD2 ARG 34 2HD ARG 34 9.459 -3.110 -0.170 244 HD3 ARG 34 1HD ARG 34 8.096 -3.221 0.934 245 HE ARG 34 HE ARG 34 9.003 -1.523 2.198 246 HH11 ARG 34 1HH1 ARG 34 11.344 -2.623 -0.146 247 HH12 ARG 34 2HH1 ARG 34 12.427 -1.301 0.132 248 HH21 ARG 34 1HH2 ARG 34 10.431 0.214 2.566 249 HH22 ARG 34 2HH2 ARG 34 11.911 0.308 1.672 250 H ARG 35 H ARG 35 9.437 -6.063 -0.303 251 HA ARG 35 HA ARG 35 8.529 -4.048 -1.966 252 HB2 ARG 35 2HB ARG 35 9.974 -4.909 -3.708 253 HB3 ARG 35 1HB ARG 35 10.804 -4.912 -2.167 254 HG2 ARG 35 2HG ARG 35 11.447 -6.887 -3.190 255 HG3 ARG 35 1HG ARG 35 10.219 -7.388 -2.047 256 HD2 ARG 35 2HD ARG 35 9.471 -8.528 -3.870 257 HD3 ARG 35 1HD ARG 35 8.657 -6.999 -4.179 258 HE ARG 35 HE ARG 35 10.038 -6.643 -5.972 259 HH11 ARG 35 1HH1 ARG 35 11.291 -9.287 -4.070 260 HH12 ARG 35 2HH1 ARG 35 12.463 -9.749 -5.256 261 HH21 ARG 35 1HH2 ARG 35 11.580 -7.249 -7.533 262 HH22 ARG 35 2HH2 ARG 35 12.629 -8.592 -7.221 263 H LEU 36 H LEU 36 7.602 -7.444 -1.668 264 HA LEU 36 HA LEU 36 6.218 -7.599 -4.149 265 HB2 LEU 36 2HB LEU 36 5.533 -8.902 -1.516 266 HB3 LEU 36 1HB LEU 36 4.608 -9.161 -2.971 267 HG LEU 36 HG LEU 36 7.546 -9.782 -2.694 268 HD11 LEU 36 1HD1 LEU 36 6.774 -11.470 -1.422 269 HD12 LEU 36 2HD1 LEU 36 6.326 -12.170 -2.977 270 HD13 LEU 36 3HD1 LEU 36 5.122 -11.307 -2.019 271 HD21 LEU 36 3HD2 LEU 36 6.025 -11.136 -4.765 272 HD22 LEU 36 1HD2 LEU 36 7.554 -10.266 -4.871 273 HD23 LEU 36 2HD2 LEU 36 6.031 -9.385 -4.972 274 H TRP 37 H TRP 37 5.088 -6.320 -1.050 275 HA TRP 37 HA TRP 37 2.524 -5.615 -1.924 276 HB2 TRP 37 2HB TRP 37 4.401 -4.577 0.216 277 HB3 TRP 37 1HB TRP 37 2.854 -3.788 -0.061 278 HD1 TRP 37 HD TRP 37 3.201 -7.558 -0.421 279 HE1 TRP 37 1HE TRP 37 1.887 -8.678 1.527 280 HE3 TRP 37 3HE TRP 37 2.073 -3.393 2.254 281 HZ2 TRP 37 2HZ TRP 37 0.544 -7.836 3.905 282 HZ3 TRP 37 3HZ TRP 37 0.816 -3.609 4.350 283 HH2 TRP 37 HH TRP 37 0.073 -5.759 5.153 284 H LEU 38 H LEU 38 5.658 -3.792 -1.981 285 HA LEU 38 HA LEU 38 4.924 -1.337 -2.829 286 HB2 LEU 38 2HB LEU 38 7.172 -3.049 -3.942 287 HB3 LEU 38 1HB LEU 38 6.993 -1.345 -4.206 288 HG LEU 38 HG LEU 38 7.614 -2.752 -1.654 289 HD11 LEU 38 1HD1 LEU 38 8.973 -0.924 -3.505 290 HD12 LEU 38 2HD1 LEU 38 9.633 -2.165 -2.439 291 HD13 LEU 38 3HD1 LEU 38 9.196 -0.585 -1.790 292 HD21 LEU 38 3HD2 LEU 38 5.896 -1.288 -0.964 293 HD22 LEU 38 1HD2 LEU 38 6.473 0.004 -2.016 294 HD23 LEU 38 2HD2 LEU 38 7.409 -0.460 -0.596 295 H LYS 39 H LYS 39 5.247 -4.338 -4.935 296 HA LYS 39 HA LYS 39 4.676 -3.256 -7.332 297 HB2 LYS 39 2HB LYS 39 4.343 -5.884 -6.059 298 HB3 LYS 39 1HB LYS 39 3.394 -5.646 -7.512 299 HG2 LYS 39 2HG LYS 39 5.656 -6.702 -7.781 300 HG3 LYS 39 1HG LYS 39 5.320 -5.315 -8.825 301 HD2 LYS 39 2HD LYS 39 6.484 -3.956 -6.933 302 HD3 LYS 39 1HD LYS 39 7.136 -5.521 -6.451 303 HE2 LYS 39 2HE LYS 39 8.246 -5.802 -8.517 304 HE3 LYS 39 1HE LYS 39 7.351 -4.480 -9.262 305 HZ1 LYS 39 3HZ LYS 39 9.692 -4.398 -7.547 306 HZ2 LYS 39 1HZ LYS 39 8.533 -3.201 -7.256 307 HZ3 LYS 39 2HZ LYS 39 9.223 -3.353 -8.792 308 H ASN 40 H ASN 40 2.033 -4.751 -5.409 309 HA ASN 40 HA ASN 40 0.076 -3.542 -7.117 310 HB2 ASN 40 2HB ASN 40 0.128 -5.446 -5.016 311 HB3 ASN 40 1HB ASN 40 -1.101 -4.255 -4.628 312 HD21 ASN 40 1HD2 ASN 40 -0.536 -7.081 -6.096 313 HD22 ASN 40 2HD2 ASN 40 -1.833 -7.125 -7.222 314 H VAL 41 H VAL 41 1.647 -2.519 -4.302 315 HA VAL 41 HA VAL 41 -0.255 -0.577 -3.623 316 HB VAL 41 HB VAL 41 2.303 -1.415 -2.288 317 HG11 VAL 41 1HG1 VAL 41 1.840 0.215 -0.562 318 HG12 VAL 41 2HG1 VAL 41 0.449 0.824 -1.458 319 HG13 VAL 41 3HG1 VAL 41 2.079 1.055 -2.099 320 HG21 VAL 41 3HG2 VAL 41 0.641 -2.077 -0.607 321 HG22 VAL 41 1HG2 VAL 41 0.351 -2.838 -2.161 322 HG23 VAL 41 2HG2 VAL 41 -0.639 -1.474 -1.650 323 H SER 42 H SER 42 2.449 -0.460 -5.828 324 HA SER 42 HA SER 42 2.040 1.962 -6.834 325 HB2 SER 42 2HB SER 42 2.295 3.773 -5.446 326 HB3 SER 42 1HB SER 42 2.241 2.637 -4.094 327 HG SER 42 HG SER 42 4.310 2.863 -3.807 328 H ARG 43 H ARG 43 5.277 1.724 -5.027 329 HA ARG 43 HA ARG 43 7.339 1.573 -5.942 330 HB2 ARG 43 2HB ARG 43 7.794 -0.416 -7.171 331 HB3 ARG 43 1HB ARG 43 6.512 -0.798 -6.035 332 HG2 ARG 43 2HG ARG 43 4.984 -1.167 -7.667 333 HG3 ARG 43 1HG ARG 43 5.686 0.027 -8.755 334 HD2 ARG 43 2HD ARG 43 7.673 -1.839 -8.605 335 HD3 ARG 43 1HD ARG 43 6.223 -2.836 -8.504 336 HE ARG 43 HE ARG 43 7.179 -1.408 -10.797 337 HH11 ARG 43 1HH1 ARG 43 4.343 -2.716 -9.241 338 HH12 ARG 43 2HH1 ARG 43 3.446 -2.856 -10.716 339 HH21 ARG 43 1HH2 ARG 43 6.001 -1.590 -12.738 340 HH22 ARG 43 2HH2 ARG 43 4.386 -2.216 -12.701 341 H ALA 44 H ALA 44 5.998 3.671 -6.970 342 HA ALA 44 HA ALA 44 5.401 4.598 -9.205 343 HB1 ALA 44 1HB ALA 44 7.038 5.656 -7.407 344 HB2 ALA 44 2HB ALA 44 6.717 6.434 -8.957 345 HB3 ALA 44 3HB ALA 44 8.192 5.490 -8.732 346 H GLY 45 H GLY 45 5.589 2.442 -10.697 347 HA2 GLY 45 2HA GLY 45 8.113 2.662 -12.218 348 HA3 GLY 45 1HA GLY 45 7.186 1.179 -12.050 349 H VAL 46 H VAL 46 5.765 4.329 -12.613 350 HA VAL 46 HA VAL 46 5.533 4.058 -15.437 351 HB VAL 46 HB VAL 46 3.925 2.325 -14.817 352 HG11 VAL 46 1HG1 VAL 46 1.968 2.736 -13.526 353 HG12 VAL 46 2HG1 VAL 46 2.321 4.459 -13.424 354 HG13 VAL 46 3HG1 VAL 46 3.349 3.296 -12.585 355 HG21 VAL 46 3HG2 VAL 46 1.821 3.865 -15.723 356 HG22 VAL 46 1HG2 VAL 46 3.002 3.020 -16.723 357 HG23 VAL 46 2HG2 VAL 46 3.244 4.718 -16.319 358 H SER 47 H SER 47 6.497 6.175 -14.087 359 HA SER 47 HA SER 47 4.633 8.267 -14.829 360 HB2 SER 47 2HB SER 47 4.192 9.192 -12.725 361 HB3 SER 47 1HB SER 47 4.086 7.465 -12.385 362 HG SER 47 HG SER 47 5.663 9.250 -11.241 363 H GLY 48 H GLY 48 7.659 7.775 -12.660 364 HA2 GLY 48 2HA GLY 48 9.776 8.593 -13.113 365 HA3 GLY 48 1HA GLY 48 9.168 9.324 -14.589 366 H CYS 49 H CYS 49 10.629 10.099 -11.856 367 HA CYS 49 HA CYS 49 10.023 12.847 -12.019 368 HB2 CYS 49 2HB CYS 49 8.057 11.540 -10.653 369 HB3 CYS 49 1HB CYS 49 9.147 11.978 -9.341 370 HG CYS 49 HG CYS 49 8.090 14.175 -9.417 371 H PHE 50 H PHE 50 10.707 13.784 -9.567 372 HA PHE 50 HA PHE 50 13.494 13.475 -9.517 373 HB2 PHE 50 2HB PHE 50 11.462 14.695 -7.673 374 HB3 PHE 50 1HB PHE 50 13.105 14.473 -7.080 375 HD1 PHE 50 2HD PHE 50 14.926 15.205 -8.976 376 HD2 PHE 50 1HD PHE 50 11.000 16.774 -8.492 377 HE1 PHE 50 2HE PHE 50 15.616 17.276 -10.112 378 HE2 PHE 50 1HE PHE 50 11.683 18.847 -9.627 379 HZ PHE 50 HZ PHE 50 13.994 19.100 -10.439 380 H SER 51 H SER 51 11.102 12.290 -6.972 381 HA SER 51 HA SER 51 13.083 10.182 -6.386 382 HB2 SER 51 2HB SER 51 12.577 10.311 -4.097 383 HB3 SER 51 1HB SER 51 12.614 11.998 -4.609 384 HG SER 51 HG SER 51 10.582 12.158 -4.117 385 H THR 52 H THR 52 9.921 10.830 -7.466 386 HA THR 52 HA THR 52 8.100 9.529 -7.886 387 HB THR 52 HB THR 52 9.219 6.909 -7.859 388 HG1 THR 52 1HG THR 52 10.911 8.832 -9.074 389 HG21 THR 52 3HG2 THR 52 8.680 6.842 -10.080 390 HG22 THR 52 1HG2 THR 52 9.114 8.532 -10.349 391 HG23 THR 52 2HG2 THR 52 7.614 8.129 -9.514 392 H PHE 53 H PHE 53 8.626 10.140 -5.190 393 HA PHE 53 HA PHE 53 8.106 9.616 -3.057 394 HB2 PHE 53 2HB PHE 53 6.016 8.443 -2.697 395 HB3 PHE 53 1HB PHE 53 5.833 9.563 -4.036 396 HD1 PHE 53 2HD PHE 53 6.887 5.991 -3.576 397 HD2 PHE 53 1HD PHE 53 4.539 8.798 -5.743 398 HE1 PHE 53 2HE PHE 53 5.969 4.170 -4.911 399 HE2 PHE 53 1HE PHE 53 3.597 6.962 -7.086 400 HZ PHE 53 HZ PHE 53 4.302 4.637 -6.654 401 H GLN 54 H GLN 54 10.004 7.736 -4.579 402 HA GLN 54 HA GLN 54 10.314 5.253 -4.282 403 HB2 GLN 54 2HB GLN 54 12.147 7.080 -4.144 404 HB3 GLN 54 1HB GLN 54 12.119 6.757 -2.419 405 HG2 GLN 54 2HG GLN 54 13.850 5.569 -3.875 406 HG3 GLN 54 1HG GLN 54 12.992 4.625 -2.671 407 HE21 GLN 54 1HE2 GLN 54 11.812 5.717 -5.809 408 HE22 GLN 54 2HE2 GLN 54 11.625 4.142 -6.495 409 HA PRO 55 HA PRO 55 8.443 3.750 -0.510 410 HB2 PRO 55 2HB PRO 55 9.652 1.151 -1.044 411 HB3 PRO 55 1HB PRO 55 7.954 1.623 -1.087 412 HG2 PRO 55 2HG PRO 55 9.383 1.010 -3.325 413 HG3 PRO 55 1HG PRO 55 7.993 2.105 -3.319 414 HD2 PRO 55 2HD PRO 55 10.908 2.739 -3.387 415 HD3 PRO 55 1HD PRO 55 9.561 3.549 -4.215 416 H THR 56 H THR 56 11.806 3.657 -1.276 417 HA THR 56 HA THR 56 12.982 2.380 0.874 418 HB THR 56 HB THR 56 14.222 3.419 -1.008 419 HG1 THR 56 1HG THR 56 15.171 3.006 1.151 420 HG21 THR 56 3HG2 THR 56 14.041 6.065 0.376 421 HG22 THR 56 1HG2 THR 56 12.922 5.618 -0.914 422 HG23 THR 56 2HG2 THR 56 14.655 5.689 -1.234 423 H THR 57 H THR 57 11.703 5.806 0.724 424 HA THR 57 HA THR 57 12.443 6.580 3.291 425 HB THR 57 HB THR 57 11.546 8.115 1.592 426 HG1 THR 57 1HG THR 57 9.873 8.102 3.875 427 HG21 THR 57 3HG2 THR 57 9.442 8.116 0.759 428 HG22 THR 57 1HG2 THR 57 8.748 7.385 2.206 429 HG23 THR 57 2HG2 THR 57 9.615 6.385 1.043 430 H GLY 58 H GLY 58 9.905 4.443 2.218 431 HA2 GLY 58 2HA GLY 58 9.276 2.860 4.104 432 HA3 GLY 58 1HA GLY 58 8.912 4.322 4.989 433 H HIS 59 H HIS 59 7.825 2.516 2.000 434 HA HIS 59 HA HIS 59 5.424 4.110 1.981 435 HB2 HIS 59 2HB HIS 59 6.670 2.199 0.171 436 HB3 HIS 59 1HB HIS 59 4.944 1.936 0.319 437 HD1 HIS 59 1HD HIS 59 6.848 5.197 0.162 438 HD2 HIS 59 2HD HIS 59 3.886 3.091 -1.901 439 HE1 HIS 59 1HE HIS 59 6.057 6.741 -1.653 440 HE2 HIS 59 2HE HIS 59 4.319 5.427 -2.919 441 H ARG 60 H ARG 60 3.546 3.650 2.728 442 HA ARG 60 HA ARG 60 3.130 1.255 4.410 443 HB2 ARG 60 2HB ARG 60 1.863 2.682 5.862 444 HB3 ARG 60 1HB ARG 60 3.323 3.553 5.449 445 HG2 ARG 60 2HG ARG 60 1.851 4.556 3.540 446 HG3 ARG 60 1HG ARG 60 0.538 4.100 4.620 447 HD2 ARG 60 2HD ARG 60 2.819 5.989 5.141 448 HD3 ARG 60 1HD ARG 60 1.092 6.339 5.161 449 HE ARG 60 HE ARG 60 1.889 4.399 7.123 450 HH11 ARG 60 1HH1 ARG 60 1.573 7.806 6.444 451 HH12 ARG 60 2HH1 ARG 60 1.448 8.256 8.111 452 HH21 ARG 60 1HH2 ARG 60 1.727 4.987 9.320 453 HH22 ARG 60 2HH2 ARG 60 1.536 6.656 9.744 454 H LEU 61 H LEU 61 0.537 0.853 4.611 455 HA LEU 61 HA LEU 61 -0.488 0.816 1.854 456 HB2 LEU 61 2HB LEU 61 -0.146 -1.176 3.800 457 HB3 LEU 61 1HB LEU 61 -1.869 -0.896 3.776 458 HG LEU 61 HG LEU 61 -0.276 -2.452 1.983 459 HD11 LEU 61 1HD1 LEU 61 -2.533 -3.191 1.280 460 HD12 LEU 61 2HD1 LEU 61 -3.204 -1.954 2.354 461 HD13 LEU 61 3HD1 LEU 61 -2.248 -3.262 3.009 462 HD21 LEU 61 3HD2 LEU 61 -1.800 -0.184 0.785 463 HD22 LEU 61 1HD2 LEU 61 -1.490 -1.691 -0.071 464 HD23 LEU 61 2HD2 LEU 61 -0.143 -0.690 0.466 465 H CYS 62 H CYS 62 -3.038 1.103 1.614 466 HA CYS 62 HA CYS 62 -4.020 2.645 3.866 467 HB2 CYS 62 2HB CYS 62 -4.523 4.405 2.612 468 HB3 CYS 62 1HB CYS 62 -3.353 3.695 1.535 469 H SER 63 H SER 63 -6.595 2.993 3.588 470 HA SER 63 HA SER 63 -7.651 1.036 4.907 471 HB2 SER 63 2HB SER 63 -8.549 3.456 3.625 472 HB3 SER 63 1HB SER 63 -9.858 2.289 3.735 473 HG SER 63 HG SER 63 -8.185 3.079 5.890 474 H VAL 64 H VAL 64 -9.836 1.575 2.619 475 HA VAL 64 HA VAL 64 -11.119 -0.789 2.706 476 HB VAL 64 HB VAL 64 -12.413 -0.141 0.747 477 HG11 VAL 64 1HG1 VAL 64 -12.548 2.418 1.763 478 HG12 VAL 64 2HG1 VAL 64 -11.874 1.488 3.103 479 HG13 VAL 64 3HG1 VAL 64 -13.413 1.012 2.384 480 HG21 VAL 64 3HG2 VAL 64 -9.985 1.320 0.196 481 HG22 VAL 64 1HG2 VAL 64 -11.409 2.369 0.159 482 HG23 VAL 64 2HG2 VAL 64 -11.345 0.935 -0.867 483 H HIS 65 H HIS 65 -8.331 -1.441 1.638 484 HA HIS 65 HA HIS 65 -9.184 -2.871 -0.793 485 HB2 HIS 65 2HB HIS 65 -6.446 -3.420 -0.084 486 HB3 HIS 65 1HB HIS 65 -7.141 -2.708 -1.525 487 HD1 HIS 65 1HD HIS 65 -8.294 -0.188 0.096 488 HD2 HIS 65 2HD HIS 65 -4.416 -1.541 -0.199 489 HE1 HIS 65 1HE HIS 65 -6.870 1.743 0.716 490 H PHE 66 H PHE 66 -7.525 -3.815 2.288 491 HA PHE 66 HA PHE 66 -7.404 -6.459 2.091 492 HB2 PHE 66 2HB PHE 66 -8.216 -4.677 4.380 493 HB3 PHE 66 1HB PHE 66 -8.098 -6.410 4.623 494 HD1 PHE 66 1HD PHE 66 -5.857 -7.497 3.906 495 HD2 PHE 66 2HD PHE 66 -6.371 -3.342 4.724 496 HE1 PHE 66 1HE PHE 66 -3.453 -7.294 4.362 497 HE2 PHE 66 2HE PHE 66 -3.958 -3.141 5.181 498 HZ PHE 66 HZ PHE 66 -2.507 -5.123 5.006 499 H GLN 67 H GLN 67 -9.005 -8.250 3.057 500 HA GLN 67 HA GLN 67 -11.704 -7.675 2.128 501 HB2 GLN 67 2HB GLN 67 -10.131 -9.837 1.762 502 HB3 GLN 67 1HB GLN 67 -11.000 -10.343 3.204 503 HG2 GLN 67 2HG GLN 67 -12.559 -11.077 1.800 504 HG3 GLN 67 1HG GLN 67 -13.012 -9.383 1.622 505 HE21 GLN 67 1HE2 GLN 67 -13.682 -10.889 -0.408 506 HE22 GLN 67 2HE2 GLN 67 -12.631 -10.673 -1.761 507 H GLY 68 H GLY 68 -12.969 -6.654 4.105 508 HA2 GLY 68 2HA GLY 68 -13.837 -6.726 6.218 509 HA3 GLY 68 1HA GLY 68 -13.211 -8.358 6.389 510 H GLY 69 H GLY 69 -10.671 -8.441 6.755 511 HA2 GLY 69 2HA GLY 69 -8.842 -6.794 7.420 512 HA3 GLY 69 1HA GLY 69 -10.012 -6.228 8.599 513 H ARG 70 H ARG 70 -7.261 -7.673 8.636 514 HA ARG 70 HA ARG 70 -6.767 -8.651 10.887 515 HB2 ARG 70 2HB ARG 70 -8.882 -9.667 11.356 516 HB3 ARG 70 1HB ARG 70 -8.827 -10.619 9.881 517 HG2 ARG 70 2HG ARG 70 -8.391 -11.892 11.984 518 HG3 ARG 70 1HG ARG 70 -7.130 -12.037 10.762 519 HD2 ARG 70 2HD ARG 70 -5.610 -11.260 12.182 520 HD3 ARG 70 1HD ARG 70 -6.562 -9.803 12.452 521 HE ARG 70 HE ARG 70 -7.501 -12.092 13.917 522 HH11 ARG 70 1HH1 ARG 70 -5.292 -9.388 13.937 523 HH12 ARG 70 2HH1 ARG 70 -5.175 -9.337 15.663 524 HH21 ARG 70 1HH2 ARG 70 -7.345 -12.026 16.187 525 HH22 ARG 70 2HH2 ARG 70 -6.339 -10.834 16.940 526 H LYS 71 H LYS 71 -6.962 -9.666 7.585 527 HA LYS 71 HA LYS 71 -5.500 -10.761 6.224 528 HB2 LYS 71 2HB LYS 71 -4.019 -9.034 7.469 529 HB3 LYS 71 1HB LYS 71 -3.381 -10.430 8.324 530 HG2 LYS 71 2HG LYS 71 -2.296 -11.237 6.484 531 HG3 LYS 71 1HG LYS 71 -3.453 -10.535 5.357 532 HD2 LYS 71 2HD LYS 71 -0.990 -9.567 5.663 533 HD3 LYS 71 1HD LYS 71 -2.364 -8.541 5.264 534 HE2 LYS 71 2HE LYS 71 -2.621 -7.917 7.595 535 HE3 LYS 71 1HE LYS 71 -1.328 -9.025 8.057 536 HZ1 LYS 71 3HZ LYS 71 -0.065 -7.197 7.887 537 HZ2 LYS 71 1HZ LYS 71 -1.168 -6.379 6.897 538 HZ3 LYS 71 2HZ LYS 71 -0.102 -7.508 6.224 539 H THR 72 H THR 72 -6.773 -12.691 6.723 540 HA THR 72 HA THR 72 -6.019 -14.552 8.701 541 HB THR 72 HB THR 72 -7.167 -16.078 6.716 542 HG1 THR 72 1HG THR 72 -8.103 -14.815 5.353 543 HG21 THR 72 3HG2 THR 72 -8.007 -14.881 9.176 544 HG22 THR 72 1HG2 THR 72 -8.542 -16.378 8.414 545 HG23 THR 72 2HG2 THR 72 -9.321 -14.851 7.998 546 H TYR 73 H TYR 73 -5.639 -16.967 7.598 547 HA TYR 73 HA TYR 73 -2.907 -16.773 6.623 548 HB2 TYR 73 2HB TYR 73 -4.060 -18.444 8.421 549 HB3 TYR 73 1HB TYR 73 -4.132 -19.440 6.970 550 HD1 TYR 73 1HD TYR 73 -1.759 -19.142 5.552 551 HD2 TYR 73 2HD TYR 73 -2.268 -18.938 9.772 552 HE1 TYR 73 1HE TYR 73 0.600 -19.764 5.861 553 HE2 TYR 73 2HE TYR 73 0.089 -19.558 10.092 554 HH TYR 73 HH TYR 73 1.860 -20.954 8.477 555 H THR 74 H THR 74 -4.529 -15.846 4.687 556 HA THR 74 HA THR 74 -4.135 -17.784 2.574 557 HB THR 74 HB THR 74 -6.713 -16.758 2.043 558 HG1 THR 74 1HG THR 74 -7.807 -16.933 3.832 559 HG21 THR 74 3HG2 THR 74 -6.373 -18.850 1.194 560 HG22 THR 74 1HG2 THR 74 -7.346 -19.227 2.616 561 HG23 THR 74 2HG2 THR 74 -5.595 -19.442 2.662 562 H VAL 75 H VAL 75 -5.285 -14.591 3.537 563 HA VAL 75 HA VAL 75 -4.875 -13.424 0.932 564 HB VAL 75 HB VAL 75 -6.642 -12.692 2.534 565 HG11 VAL 75 1HG1 VAL 75 -4.914 -11.073 4.212 566 HG12 VAL 75 2HG1 VAL 75 -4.654 -12.806 4.410 567 HG13 VAL 75 3HG1 VAL 75 -6.263 -12.124 4.640 568 HG21 VAL 75 3HG2 VAL 75 -6.451 -10.301 2.286 569 HG22 VAL 75 1HG2 VAL 75 -5.884 -11.077 0.812 570 HG23 VAL 75 2HG2 VAL 75 -4.725 -10.418 1.974 571 H ARG 76 H ARG 76 -2.603 -13.698 0.429 572 HA ARG 76 HA ARG 76 -0.648 -12.880 2.385 573 HB2 ARG 76 2HB ARG 76 -0.465 -14.767 0.602 574 HB3 ARG 76 1HB ARG 76 0.008 -13.471 -0.485 575 HG2 ARG 76 2HG ARG 76 1.735 -12.883 1.348 576 HG3 ARG 76 1HG ARG 76 1.422 -14.523 1.925 577 HD2 ARG 76 2HD ARG 76 2.415 -15.492 0.126 578 HD3 ARG 76 1HD ARG 76 1.930 -14.202 -0.972 579 HE ARG 76 HE ARG 76 3.759 -12.970 0.546 580 HH11 ARG 76 1HH1 ARG 76 3.827 -16.045 -1.106 581 HH12 ARG 76 2HH1 ARG 76 5.537 -16.007 -1.369 582 HH21 ARG 76 1HH2 ARG 76 6.009 -12.920 0.196 583 HH22 ARG 76 2HH2 ARG 76 6.776 -14.234 -0.629 584 H VAL 77 H VAL 77 -1.805 -11.571 -0.743 585 HA VAL 77 HA VAL 77 -0.512 -9.049 0.031 586 HB VAL 77 HB VAL 77 0.698 -8.938 -1.864 587 HG11 VAL 77 1HG1 VAL 77 0.713 -11.446 -1.397 588 HG12 VAL 77 2HG1 VAL 77 1.257 -10.894 -2.981 589 HG13 VAL 77 3HG1 VAL 77 -0.358 -11.580 -2.793 590 HG21 VAL 77 3HG2 VAL 77 -1.798 -9.664 -3.396 591 HG22 VAL 77 1HG2 VAL 77 -0.282 -9.117 -4.111 592 HG23 VAL 77 2HG2 VAL 77 -1.200 -8.039 -3.062 593 HA PRO 78 HA PRO 78 -4.742 -7.452 -0.148 594 HB2 PRO 78 2HB PRO 78 -3.172 -4.959 -0.609 595 HB3 PRO 78 1HB PRO 78 -4.529 -5.228 0.482 596 HG2 PRO 78 2HG PRO 78 -2.127 -5.141 1.503 597 HG3 PRO 78 1HG PRO 78 -3.172 -6.503 1.974 598 HD2 PRO 78 2HD PRO 78 -0.971 -6.431 -0.075 599 HD3 PRO 78 1HD PRO 78 -1.269 -7.633 1.212 600 H THR 79 H THR 79 -4.686 -8.585 -2.593 601 HA THR 79 HA THR 79 -4.788 -6.148 -4.228 602 HB THR 79 HB THR 79 -4.513 -9.034 -5.019 603 HG1 THR 79 1HG THR 79 -2.520 -8.493 -5.235 604 HG21 THR 79 3HG2 THR 79 -4.509 -8.356 -7.347 605 HG22 THR 79 1HG2 THR 79 -4.908 -6.701 -6.879 606 HG23 THR 79 2HG2 THR 79 -6.062 -8.003 -6.595 607 H ILE 80 H ILE 80 -6.645 -5.353 -4.017 608 HA ILE 80 HA ILE 80 -9.016 -6.868 -4.833 609 HB ILE 80 HB ILE 80 -8.865 -4.881 -2.565 610 HG12 ILE 80 2HG1 ILE 80 -8.387 -7.158 -1.913 611 HG13 ILE 80 1HG1 ILE 80 -9.996 -6.738 -1.334 612 HG21 ILE 80 1HG2 ILE 80 -11.144 -5.599 -4.308 613 HG22 ILE 80 2HG2 ILE 80 -10.832 -4.122 -3.397 614 HG23 ILE 80 3HG2 ILE 80 -11.458 -5.550 -2.574 615 HD11 ILE 80 3HD1 ILE 80 -10.699 -8.614 -2.278 616 HD12 ILE 80 1HD1 ILE 80 -9.168 -8.840 -3.123 617 HD13 ILE 80 2HD1 ILE 80 -10.432 -7.840 -3.839 618 H PHE 81 H PHE 81 -9.079 -5.993 -7.009 619 HA PHE 81 HA PHE 81 -10.181 -3.415 -7.256 620 HB2 PHE 81 2HB PHE 81 -7.569 -3.273 -8.674 621 HB3 PHE 81 1HB PHE 81 -8.529 -1.987 -7.970 622 HD1 PHE 81 2HD PHE 81 -8.367 -1.587 -5.442 623 HD2 PHE 81 1HD PHE 81 -5.717 -4.147 -7.586 624 HE1 PHE 81 2HE PHE 81 -6.798 -1.532 -3.555 625 HE2 PHE 81 1HE PHE 81 -4.124 -4.062 -5.707 626 HZ PHE 81 HZ PHE 81 -4.680 -2.789 -3.655 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 4.734 18.570 7.247 2 H2 GLY 1 2HT GLY 1 4.128 18.083 8.750 3 H3 GLY 1 3HT GLY 1 3.254 19.176 7.800 4 HA2 GLY 1 1HA GLY 1 2.643 16.631 7.880 5 HA3 GLY 1 2HA GLY 1 2.433 17.599 6.429 6 H SER 2 H SER 2 2.563 15.201 5.693 7 HA SER 2 HA SER 2 5.357 14.410 5.273 8 HB2 SER 2 2HB SER 2 3.215 12.612 4.321 9 HB3 SER 2 1HB SER 2 4.672 12.245 5.243 10 HG SER 2 HG SER 2 3.594 13.097 7.092 11 HA PRO 3 HA PRO 3 5.169 15.557 1.012 12 HB2 PRO 3 2HB PRO 3 7.055 13.972 -0.056 13 HB3 PRO 3 1HB PRO 3 7.460 15.261 1.086 14 HG2 PRO 3 2HG PRO 3 7.182 12.321 1.570 15 HG3 PRO 3 1HG PRO 3 8.413 13.443 2.177 16 HD2 PRO 3 2HD PRO 3 6.248 12.614 3.641 17 HD3 PRO 3 1HD PRO 3 7.083 14.157 3.900 18 H GLY 4 H GLY 4 3.952 12.642 2.065 19 HA2 GLY 4 2HA GLY 4 2.416 11.234 1.116 20 HA3 GLY 4 1HA GLY 4 2.458 12.242 -0.330 21 H PHE 5 H PHE 5 2.252 9.678 -1.030 22 HA PHE 5 HA PHE 5 4.856 9.055 -2.120 23 HB2 PHE 5 2HB PHE 5 3.483 7.035 -0.356 24 HB3 PHE 5 1HB PHE 5 5.001 6.834 -1.199 25 HD1 PHE 5 1HD PHE 5 6.972 8.240 -0.517 26 HD2 PHE 5 2HD PHE 5 3.389 8.013 1.765 27 HE1 PHE 5 1HE PHE 5 8.175 9.106 1.449 28 HE2 PHE 5 2HE PHE 5 4.583 8.878 3.733 29 HZ PHE 5 HZ PHE 5 6.978 9.426 3.578 30 H THR 6 H THR 6 1.479 8.093 -1.800 31 HA THR 6 HA THR 6 -0.033 7.655 -3.497 32 HB THR 6 HB THR 6 2.185 6.854 -5.356 33 HG1 THR 6 1HG THR 6 2.865 8.825 -5.258 34 HG21 THR 6 3HG2 THR 6 0.308 8.292 -6.747 35 HG22 THR 6 1HG2 THR 6 -0.661 7.360 -5.604 36 HG23 THR 6 2HG2 THR 6 0.448 6.534 -6.698 37 H CYS 7 H CYS 7 -1.069 5.863 -2.764 38 HA CYS 7 HA CYS 7 0.236 3.313 -2.381 39 HB2 CYS 7 2HB CYS 7 -1.542 3.024 -0.977 40 HB3 CYS 7 1HB CYS 7 -2.362 4.438 -1.598 41 H CYS 8 H CYS 8 -0.739 4.970 -5.087 42 HA CYS 8 HA CYS 8 -1.180 4.358 -7.234 43 HB2 CYS 8 2HB CYS 8 0.598 2.760 -7.150 44 HB3 CYS 8 1HB CYS 8 -0.312 1.676 -6.111 45 HG CYS 8 HG CYS 8 -1.759 1.011 -8.175 46 H VAL 9 H VAL 9 -3.001 4.711 -5.211 47 HA VAL 9 HA VAL 9 -5.072 2.765 -5.100 48 HB VAL 9 HB VAL 9 -4.931 4.171 -3.203 49 HG11 VAL 9 1HG1 VAL 9 -3.586 5.912 -3.717 50 HG12 VAL 9 2HG1 VAL 9 -5.141 6.743 -3.637 51 HG13 VAL 9 3HG1 VAL 9 -4.456 6.306 -5.201 52 HG21 VAL 9 3HG2 VAL 9 -7.291 3.980 -4.020 53 HG22 VAL 9 1HG2 VAL 9 -7.100 5.568 -4.763 54 HG23 VAL 9 2HG2 VAL 9 -6.963 5.398 -3.004 55 HA PRO 10 HA PRO 10 -6.746 4.272 -9.071 56 HB2 PRO 10 2HB PRO 10 -8.019 2.011 -9.741 57 HB3 PRO 10 1HB PRO 10 -6.263 2.148 -9.896 58 HG2 PRO 10 2HG PRO 10 -7.874 0.845 -7.732 59 HG3 PRO 10 1HG PRO 10 -6.413 0.258 -8.544 60 HD2 PRO 10 2HD PRO 10 -6.389 1.475 -6.088 61 HD3 PRO 10 1HD PRO 10 -5.029 1.503 -7.220 62 H GLY 11 H GLY 11 -8.424 2.350 -6.641 63 HA2 GLY 11 2HA GLY 11 -10.606 4.277 -6.580 64 HA3 GLY 11 1HA GLY 11 -11.024 2.616 -6.981 65 H CYS 12 H CYS 12 -8.359 2.758 -4.895 66 HA CYS 12 HA CYS 12 -9.704 1.447 -2.833 67 HB2 CYS 12 2HB CYS 12 -7.653 1.097 -1.966 68 HB3 CYS 12 1HB CYS 12 -7.079 1.799 -3.464 69 H TYR 13 H TYR 13 -8.943 2.678 -0.458 70 HA TYR 13 HA TYR 13 -11.109 4.431 -0.078 71 HB2 TYR 13 2HB TYR 13 -9.618 2.815 1.516 72 HB3 TYR 13 1HB TYR 13 -9.074 4.411 2.006 73 HD1 TYR 13 1HD TYR 13 -12.465 3.352 0.902 74 HD2 TYR 13 2HD TYR 13 -10.033 4.710 4.118 75 HE1 TYR 13 1HE TYR 13 -14.468 3.591 2.308 76 HE2 TYR 13 2HE TYR 13 -12.029 4.952 5.533 77 HH TYR 13 HH TYR 13 -14.963 5.216 4.550 78 H ASN 14 H ASN 14 -7.795 4.886 0.649 79 HA ASN 14 HA ASN 14 -7.828 7.733 -0.006 80 HB2 ASN 14 2HB ASN 14 -5.944 7.213 1.893 81 HB3 ASN 14 1HB ASN 14 -7.384 8.108 2.138 82 HD21 ASN 14 1HD2 ASN 14 -5.987 4.927 2.213 83 HD22 ASN 14 2HD2 ASN 14 -7.139 4.179 3.253 84 H ASN 15 H ASN 15 -5.497 8.647 -0.478 85 HA ASN 15 HA ASN 15 -4.084 6.554 -1.967 86 HB2 ASN 15 2HB ASN 15 -5.005 8.633 -3.109 87 HB3 ASN 15 1HB ASN 15 -3.801 9.560 -2.229 88 HD21 ASN 15 1HD2 ASN 15 -3.984 9.597 -4.954 89 HD22 ASN 15 2HD2 ASN 15 -2.574 8.869 -5.629 90 H SER 16 H SER 16 -1.483 6.810 -1.997 91 HA SER 16 HA SER 16 -0.668 7.157 0.710 92 HB2 SER 16 2HB SER 16 0.132 5.171 -0.682 93 HB3 SER 16 1HB SER 16 1.036 6.263 -1.674 94 HG SER 16 HG SER 16 1.952 5.161 0.390 95 H HIS 17 H HIS 17 -1.002 9.392 -1.771 96 HA HIS 17 HA HIS 17 0.829 11.215 -0.445 97 HB2 HIS 17 2HB HIS 17 2.226 11.635 -2.185 98 HB3 HIS 17 1HB HIS 17 1.756 10.028 -2.715 99 HD1 HIS 17 1HD HIS 17 1.571 13.593 -3.642 100 HD2 HIS 17 2HD HIS 17 -0.135 10.007 -4.865 101 HE1 HIS 17 1HE HIS 17 0.550 14.068 -5.890 102 HE2 HIS 17 2HE HIS 17 -0.378 11.854 -6.659 103 H ARG 18 H ARG 18 -2.198 10.666 -1.622 104 HA ARG 18 HA ARG 18 -2.639 13.532 -2.138 105 HB2 ARG 18 2HB ARG 18 -4.408 11.344 -3.190 106 HB3 ARG 18 1HB ARG 18 -4.272 12.997 -3.749 107 HG2 ARG 18 2HG ARG 18 -1.848 12.398 -4.312 108 HG3 ARG 18 1HG ARG 18 -2.394 10.731 -4.195 109 HD2 ARG 18 2HD ARG 18 -3.088 10.884 -6.306 110 HD3 ARG 18 1HD ARG 18 -4.320 12.018 -5.753 111 HE ARG 18 HE ARG 18 -2.209 13.627 -6.082 112 HH11 ARG 18 1HH1 ARG 18 -3.591 11.189 -8.165 113 HH12 ARG 18 2HH1 ARG 18 -3.099 11.981 -9.624 114 HH21 ARG 18 1HH2 ARG 18 -1.562 14.666 -8.002 115 HH22 ARG 18 2HH2 ARG 18 -1.945 13.951 -9.532 116 H ASP 19 H ASP 19 -2.637 12.305 0.405 117 HA ASP 19 HA ASP 19 -4.962 13.410 1.495 118 HB2 ASP 19 2HB ASP 19 -6.422 11.734 1.172 119 HB3 ASP 19 1HB ASP 19 -5.161 10.595 0.756 120 H LYS 20 H LYS 20 -3.030 10.577 2.404 121 HA LYS 20 HA LYS 20 -1.631 10.167 4.160 122 HB2 LYS 20 2HB LYS 20 -1.277 13.158 4.297 123 HB3 LYS 20 1HB LYS 20 -0.162 11.926 4.869 124 HG2 LYS 20 2HG LYS 20 0.223 11.201 2.572 125 HG3 LYS 20 1HG LYS 20 -0.913 12.422 1.994 126 HD2 LYS 20 2HD LYS 20 0.780 13.918 3.525 127 HD3 LYS 20 1HD LYS 20 1.872 12.697 2.869 128 HE2 LYS 20 2HE LYS 20 1.996 14.145 1.140 129 HE3 LYS 20 1HE LYS 20 0.513 13.332 0.642 130 HZ1 LYS 20 3HZ LYS 20 -0.716 15.144 1.061 131 HZ2 LYS 20 1HZ LYS 20 0.752 15.979 0.943 132 HZ3 LYS 20 2HZ LYS 20 0.141 15.552 2.462 133 H ALA 21 H ALA 21 -4.517 11.227 4.557 134 HA ALA 21 HA ALA 21 -4.340 11.790 7.431 135 HB1 ALA 21 1HB ALA 21 -6.952 12.342 6.755 136 HB2 ALA 21 2HB ALA 21 -6.034 12.855 5.336 137 HB3 ALA 21 3HB ALA 21 -5.638 13.505 6.923 138 H LEU 22 H LEU 22 -6.451 9.804 5.224 139 HA LEU 22 HA LEU 22 -7.953 8.568 7.161 140 HB2 LEU 22 2HB LEU 22 -7.153 7.209 4.591 141 HB3 LEU 22 1HB LEU 22 -8.731 7.212 5.382 142 HG LEU 22 HG LEU 22 -7.553 9.155 3.490 143 HD11 LEU 22 1HD1 LEU 22 -10.197 9.299 3.177 144 HD12 LEU 22 2HD1 LEU 22 -10.100 7.715 3.941 145 HD13 LEU 22 3HD1 LEU 22 -9.225 8.027 2.444 146 HD21 LEU 22 3HD2 LEU 22 -8.751 9.976 5.986 147 HD22 LEU 22 1HD2 LEU 22 -9.649 10.553 4.586 148 HD23 LEU 22 2HD2 LEU 22 -7.935 10.925 4.745 149 H HIS 23 H HIS 23 -7.234 5.534 6.623 150 HA HIS 23 HA HIS 23 -5.202 5.484 8.664 151 HB2 HIS 23 2HB HIS 23 -7.548 4.057 8.161 152 HB3 HIS 23 1HB HIS 23 -6.263 2.905 7.833 153 HD1 HIS 23 1HD HIS 23 -4.538 2.518 9.869 154 HD2 HIS 23 2HD HIS 23 -8.096 4.450 10.807 155 HE1 HIS 23 1HE HIS 23 -4.751 2.357 12.369 156 HE2 HIS 23 2HE HIS 23 -6.959 3.447 12.903 157 H PHE 24 H PHE 24 -3.141 4.286 8.392 158 HA PHE 24 HA PHE 24 -2.687 3.284 5.693 159 HB2 PHE 24 2HB PHE 24 -0.849 4.992 7.344 160 HB3 PHE 24 1HB PHE 24 -0.360 4.170 5.877 161 HD1 PHE 24 1HD PHE 24 -1.191 4.926 3.680 162 HD2 PHE 24 2HD PHE 24 -2.278 6.937 7.275 163 HE1 PHE 24 1HE PHE 24 -1.917 6.852 2.367 164 HE2 PHE 24 2HE PHE 24 -3.037 8.870 5.955 165 HZ PHE 24 HZ PHE 24 -2.864 8.835 3.491 166 H TYR 25 H TYR 25 -1.768 1.097 5.665 167 HA TYR 25 HA TYR 25 -1.020 -0.042 8.216 168 HB2 TYR 25 2HB TYR 25 -1.331 -1.231 5.443 169 HB3 TYR 25 1HB TYR 25 -0.618 -2.138 6.764 170 HD1 TYR 25 1HD TYR 25 -3.581 0.143 6.671 171 HD2 TYR 25 2HD TYR 25 -2.094 -3.782 7.374 172 HE1 TYR 25 1HE TYR 25 -5.820 -0.569 7.401 173 HE2 TYR 25 2HE TYR 25 -4.324 -4.511 8.106 174 HH TYR 25 HH TYR 25 -7.072 -2.928 7.465 175 H THR 26 H THR 26 1.207 -1.142 8.470 176 HA THR 26 HA THR 26 3.177 0.370 6.897 177 HB THR 26 HB THR 26 4.433 0.591 8.778 178 HG1 THR 26 1HG THR 26 3.753 -2.081 9.435 179 HG21 THR 26 3HG2 THR 26 3.315 0.697 10.826 180 HG22 THR 26 1HG2 THR 26 2.176 -0.568 10.367 181 HG23 THR 26 2HG2 THR 26 2.081 1.021 9.608 182 H PHE 27 H PHE 27 5.400 -0.912 6.767 183 HA PHE 27 HA PHE 27 4.758 -3.182 5.215 184 HB2 PHE 27 2HB PHE 27 6.779 -1.242 5.347 185 HB3 PHE 27 1HB PHE 27 7.500 -2.817 5.145 186 HD1 PHE 27 1HD PHE 27 4.189 -2.240 3.750 187 HD2 PHE 27 2HD PHE 27 8.376 -2.064 3.005 188 HE1 PHE 27 1HE PHE 27 3.759 -2.130 1.338 189 HE2 PHE 27 2HE PHE 27 7.952 -1.969 0.614 190 HZ PHE 27 HZ PHE 27 5.634 -1.997 -0.244 191 HA PRO 28 HA PRO 28 5.832 -6.652 7.979 192 HB2 PRO 28 2HB PRO 28 6.994 -7.483 5.294 193 HB3 PRO 28 1HB PRO 28 6.197 -8.521 6.473 194 HG2 PRO 28 2HG PRO 28 4.817 -7.644 4.459 195 HG3 PRO 28 1HG PRO 28 4.098 -7.525 6.067 196 HD2 PRO 28 2HD PRO 28 5.202 -5.412 4.314 197 HD3 PRO 28 1HD PRO 28 3.906 -5.344 5.497 198 H LYS 29 H LYS 29 7.975 -7.932 8.480 199 HA LYS 29 HA LYS 29 10.163 -6.016 8.528 200 HB2 LYS 29 2HB LYS 29 10.719 -8.619 9.726 201 HB3 LYS 29 1HB LYS 29 10.814 -7.014 10.433 202 HG2 LYS 29 2HG LYS 29 8.344 -7.081 10.747 203 HG3 LYS 29 1HG LYS 29 8.375 -8.758 10.195 204 HD2 LYS 29 2HD LYS 29 10.172 -7.907 12.423 205 HD3 LYS 29 1HD LYS 29 8.464 -8.208 12.752 206 HE2 LYS 29 2HE LYS 29 9.719 -10.222 13.172 207 HE3 LYS 29 1HE LYS 29 8.712 -10.455 11.744 208 HZ1 LYS 29 3HZ LYS 29 11.459 -9.516 11.363 209 HZ2 LYS 29 1HZ LYS 29 10.510 -10.502 10.369 210 HZ3 LYS 29 2HZ LYS 29 11.225 -11.143 11.761 211 H ASP 30 H ASP 30 9.230 -8.787 6.778 212 HA ASP 30 HA ASP 30 11.902 -9.555 5.958 213 HB2 ASP 30 2HB ASP 30 9.864 -10.598 4.232 214 HB3 ASP 30 1HB ASP 30 10.859 -11.485 5.376 215 H ALA 31 H ALA 31 13.025 -8.328 4.504 216 HA ALA 31 HA ALA 31 12.125 -6.207 3.130 217 HB1 ALA 31 1HB ALA 31 14.074 -6.849 1.463 218 HB2 ALA 31 2HB ALA 31 14.418 -8.044 2.718 219 HB3 ALA 31 3HB ALA 31 14.373 -6.333 3.116 220 H GLU 32 H GLU 32 12.517 -9.350 1.262 221 HA GLU 32 HA GLU 32 11.193 -8.399 -1.009 222 HB2 GLU 32 2HB GLU 32 12.439 -10.463 -1.015 223 HB3 GLU 32 1HB GLU 32 11.324 -11.271 0.007 224 HG2 GLU 32 2HG GLU 32 10.150 -10.127 -2.420 225 HG3 GLU 32 1HG GLU 32 11.332 -11.407 -2.685 226 H LEU 33 H LEU 33 9.393 -10.418 1.491 227 HA LEU 33 HA LEU 33 6.989 -10.220 0.299 228 HB2 LEU 33 2HB LEU 33 7.610 -11.013 2.702 229 HB3 LEU 33 1HB LEU 33 7.255 -9.374 3.178 230 HG LEU 33 HG LEU 33 5.081 -9.759 3.228 231 HD11 LEU 33 1HD1 LEU 33 4.888 -9.541 0.806 232 HD12 LEU 33 2HD1 LEU 33 3.807 -10.804 1.395 233 HD13 LEU 33 3HD1 LEU 33 5.321 -11.236 0.607 234 HD21 LEU 33 3HD2 LEU 33 5.549 -11.724 4.331 235 HD22 LEU 33 1HD2 LEU 33 6.103 -12.526 2.863 236 HD23 LEU 33 2HD2 LEU 33 4.388 -12.203 3.099 237 H ARG 34 H ARG 34 8.764 -7.692 1.824 238 HA ARG 34 HA ARG 34 6.853 -5.638 1.803 239 HB2 ARG 34 2HB ARG 34 8.483 -4.214 2.515 240 HB3 ARG 34 1HB ARG 34 9.271 -5.731 2.886 241 HG2 ARG 34 2HG ARG 34 10.937 -4.444 1.919 242 HG3 ARG 34 1HG ARG 34 10.403 -5.458 0.591 243 HD2 ARG 34 2HD ARG 34 10.374 -3.506 -0.514 244 HD3 ARG 34 1HD ARG 34 8.783 -3.367 0.224 245 HE ARG 34 HE ARG 34 9.575 -1.658 1.532 246 HH11 ARG 34 1HH1 ARG 34 12.269 -3.343 0.096 247 HH12 ARG 34 2HH1 ARG 34 13.440 -2.190 0.641 248 HH21 ARG 34 1HH2 ARG 34 11.110 -0.145 2.252 249 HH22 ARG 34 2HH2 ARG 34 12.783 -0.373 1.865 250 H ARG 35 H ARG 35 9.461 -6.207 -0.511 251 HA ARG 35 HA ARG 35 8.600 -4.242 -2.261 252 HB2 ARG 35 2HB ARG 35 10.026 -5.127 -3.903 253 HB3 ARG 35 1HB ARG 35 10.816 -5.476 -2.380 254 HG2 ARG 35 2HG ARG 35 11.090 -7.350 -3.790 255 HG3 ARG 35 1HG ARG 35 9.935 -7.814 -2.553 256 HD2 ARG 35 2HD ARG 35 8.372 -8.249 -4.097 257 HD3 ARG 35 1HD ARG 35 8.604 -6.671 -4.849 258 HE ARG 35 HE ARG 35 10.614 -8.660 -5.471 259 HH11 ARG 35 1HH1 ARG 35 7.610 -7.153 -6.424 260 HH12 ARG 35 2HH1 ARG 35 7.770 -7.603 -8.088 261 HH21 ARG 35 1HH2 ARG 35 10.822 -9.252 -7.659 262 HH22 ARG 35 2HH2 ARG 35 9.590 -8.797 -8.788 263 H LEU 36 H LEU 36 7.465 -7.531 -1.677 264 HA LEU 36 HA LEU 36 5.886 -7.621 -4.089 265 HB2 LEU 36 2HB LEU 36 5.375 -8.953 -1.423 266 HB3 LEU 36 1HB LEU 36 4.464 -9.257 -2.883 267 HG LEU 36 HG LEU 36 7.429 -9.648 -2.856 268 HD11 LEU 36 1HD1 LEU 36 5.475 -11.161 -1.347 269 HD12 LEU 36 2HD1 LEU 36 7.236 -11.262 -1.337 270 HD13 LEU 36 3HD1 LEU 36 6.309 -12.160 -2.539 271 HD21 LEU 36 3HD2 LEU 36 5.115 -10.439 -4.551 272 HD22 LEU 36 1HD2 LEU 36 6.517 -11.507 -4.478 273 HD23 LEU 36 2HD2 LEU 36 6.706 -9.838 -5.020 274 H TRP 37 H TRP 37 5.080 -6.357 -0.861 275 HA TRP 37 HA TRP 37 2.467 -5.592 -1.607 276 HB2 TRP 37 2HB TRP 37 4.415 -4.631 0.474 277 HB3 TRP 37 1HB TRP 37 2.874 -3.814 0.225 278 HD1 TRP 37 HD TRP 37 3.194 -7.593 -0.132 279 HE1 TRP 37 1HE TRP 37 1.871 -8.724 1.810 280 HE3 TRP 37 3HE TRP 37 1.891 -3.435 2.510 281 HZ2 TRP 37 2HZ TRP 37 0.426 -7.896 4.133 282 HZ3 TRP 37 3HZ TRP 37 0.583 -3.671 4.544 283 HH2 TRP 37 HH TRP 37 -0.162 -5.819 5.330 284 H LEU 38 H LEU 38 5.700 -4.008 -1.967 285 HA LEU 38 HA LEU 38 5.117 -1.447 -2.624 286 HB2 LEU 38 2HB LEU 38 6.945 -3.371 -4.083 287 HB3 LEU 38 1HB LEU 38 6.819 -1.697 -4.503 288 HG LEU 38 HG LEU 38 7.742 -2.808 -1.880 289 HD11 LEU 38 1HD1 LEU 38 9.838 -1.585 -2.539 290 HD12 LEU 38 2HD1 LEU 38 9.130 -1.399 -4.143 291 HD13 LEU 38 3HD1 LEU 38 9.454 -3.009 -3.505 292 HD21 LEU 38 3HD2 LEU 38 8.163 -0.488 -1.239 293 HD22 LEU 38 1HD2 LEU 38 6.450 -0.778 -1.515 294 HD23 LEU 38 2HD2 LEU 38 7.407 0.063 -2.732 295 H LYS 39 H LYS 39 4.775 -4.352 -4.814 296 HA LYS 39 HA LYS 39 3.766 -3.210 -7.031 297 HB2 LYS 39 2HB LYS 39 3.620 -5.789 -5.668 298 HB3 LYS 39 1HB LYS 39 2.322 -5.542 -6.797 299 HG2 LYS 39 2HG LYS 39 4.588 -6.660 -7.497 300 HG3 LYS 39 1HG LYS 39 3.684 -5.630 -8.609 301 HD2 LYS 39 2HD LYS 39 5.611 -4.219 -6.884 302 HD3 LYS 39 1HD LYS 39 6.324 -5.351 -8.034 303 HE2 LYS 39 2HE LYS 39 4.271 -3.813 -9.321 304 HE3 LYS 39 1HE LYS 39 5.418 -2.737 -8.527 305 HZ1 LYS 39 3HZ LYS 39 5.936 -3.424 -10.890 306 HZ2 LYS 39 1HZ LYS 39 6.304 -4.956 -10.271 307 HZ3 LYS 39 2HZ LYS 39 7.186 -3.605 -9.765 308 H ASN 40 H ASN 40 1.588 -4.472 -4.497 309 HA ASN 40 HA ASN 40 -0.734 -3.453 -5.662 310 HB2 ASN 40 2HB ASN 40 -1.407 -3.493 -3.008 311 HB3 ASN 40 1HB ASN 40 -1.465 -4.873 -4.094 312 HD21 ASN 40 1HD2 ASN 40 0.125 -6.446 -3.965 313 HD22 ASN 40 2HD2 ASN 40 1.172 -6.583 -2.600 314 H VAL 41 H VAL 41 1.380 -1.988 -3.323 315 HA VAL 41 HA VAL 41 -0.331 0.274 -2.983 316 HB VAL 41 HB VAL 41 1.618 -0.783 -1.364 317 HG11 VAL 41 1HG1 VAL 41 3.349 0.779 -1.097 318 HG12 VAL 41 2HG1 VAL 41 2.522 1.985 -2.085 319 HG13 VAL 41 3HG1 VAL 41 3.235 0.569 -2.845 320 HG21 VAL 41 3HG2 VAL 41 0.742 2.009 -0.900 321 HG22 VAL 41 1HG2 VAL 41 0.677 0.605 0.161 322 HG23 VAL 41 2HG2 VAL 41 -0.521 0.795 -1.119 323 H SER 42 H SER 42 2.237 -0.367 -5.247 324 HA SER 42 HA SER 42 1.968 1.794 -6.810 325 HB2 SER 42 2HB SER 42 2.204 3.726 -5.586 326 HB3 SER 42 1HB SER 42 2.760 2.848 -4.150 327 HG SER 42 HG SER 42 4.413 3.479 -6.393 328 H ARG 43 H ARG 43 5.287 1.763 -5.215 329 HA ARG 43 HA ARG 43 7.073 0.384 -5.770 330 HB2 ARG 43 2HB ARG 43 5.586 -1.341 -6.702 331 HB3 ARG 43 1HB ARG 43 5.522 -0.455 -8.219 332 HG2 ARG 43 2HG ARG 43 7.214 -1.753 -8.842 333 HG3 ARG 43 1HG ARG 43 8.207 -0.700 -7.835 334 HD2 ARG 43 2HD ARG 43 6.971 -2.689 -6.192 335 HD3 ARG 43 1HD ARG 43 7.766 -3.471 -7.559 336 HE ARG 43 HE ARG 43 9.323 -1.483 -6.122 337 HH11 ARG 43 1HH1 ARG 43 8.586 -4.869 -6.579 338 HH12 ARG 43 2HH1 ARG 43 10.073 -5.411 -5.878 339 HH21 ARG 43 1HH2 ARG 43 11.270 -2.201 -5.197 340 HH22 ARG 43 2HH2 ARG 43 11.594 -3.899 -5.090 341 H ALA 44 H ALA 44 7.550 2.924 -6.077 342 HA ALA 44 HA ALA 44 7.796 3.961 -8.691 343 HB1 ALA 44 1HB ALA 44 8.147 5.738 -7.394 344 HB2 ALA 44 2HB ALA 44 9.785 5.148 -7.107 345 HB3 ALA 44 3HB ALA 44 8.486 4.721 -5.994 346 H GLY 45 H GLY 45 8.775 1.723 -9.647 347 HA2 GLY 45 2HA GLY 45 11.265 0.793 -9.021 348 HA3 GLY 45 1HA GLY 45 10.589 0.743 -10.629 349 H VAL 46 H VAL 46 10.645 3.252 -11.501 350 HA VAL 46 HA VAL 46 12.853 4.863 -10.916 351 HB VAL 46 HB VAL 46 14.288 3.025 -11.474 352 HG11 VAL 46 1HG1 VAL 46 14.077 2.309 -14.048 353 HG12 VAL 46 2HG1 VAL 46 12.383 2.652 -13.696 354 HG13 VAL 46 3HG1 VAL 46 13.261 1.461 -12.735 355 HG21 VAL 46 3HG2 VAL 46 15.719 4.067 -12.951 356 HG22 VAL 46 1HG2 VAL 46 14.700 5.414 -12.450 357 HG23 VAL 46 2HG2 VAL 46 14.411 4.619 -13.998 358 H SER 47 H SER 47 10.482 5.841 -11.599 359 HA SER 47 HA SER 47 10.932 6.871 -14.328 360 HB2 SER 47 2HB SER 47 8.573 6.430 -14.937 361 HB3 SER 47 1HB SER 47 9.469 4.941 -14.616 362 HG SER 47 HG SER 47 7.427 4.893 -13.621 363 H GLY 48 H GLY 48 8.815 7.089 -11.249 364 HA2 GLY 48 2HA GLY 48 7.586 9.486 -11.806 365 HA3 GLY 48 1HA GLY 48 8.065 8.974 -10.199 366 H CYS 49 H CYS 49 8.135 11.429 -10.116 367 HA CYS 49 HA CYS 49 10.087 12.954 -11.371 368 HB2 CYS 49 2HB CYS 49 9.091 13.381 -8.553 369 HB3 CYS 49 1HB CYS 49 9.714 14.599 -9.661 370 HG CYS 49 HG CYS 49 7.429 13.742 -11.099 371 H PHE 50 H PHE 50 11.572 14.201 -9.417 372 HA PHE 50 HA PHE 50 14.015 13.293 -9.416 373 HB2 PHE 50 2HB PHE 50 12.999 13.985 -6.659 374 HB3 PHE 50 1HB PHE 50 14.512 14.434 -7.432 375 HD1 PHE 50 1HD PHE 50 10.948 15.194 -7.123 376 HD2 PHE 50 2HD PHE 50 14.637 16.327 -8.916 377 HE1 PHE 50 1HE PHE 50 9.969 17.361 -7.754 378 HE2 PHE 50 2HE PHE 50 13.666 18.497 -9.550 379 HZ PHE 50 HZ PHE 50 11.330 19.016 -8.969 380 H SER 51 H SER 51 12.161 12.249 -6.411 381 HA SER 51 HA SER 51 13.747 9.771 -6.539 382 HB2 SER 51 2HB SER 51 13.599 11.516 -4.482 383 HB3 SER 51 1HB SER 51 12.270 10.438 -4.060 384 HG SER 51 HG SER 51 14.872 9.526 -4.711 385 H THR 52 H THR 52 10.757 10.866 -7.331 386 HA THR 52 HA THR 52 8.661 9.970 -7.490 387 HB THR 52 HB THR 52 9.840 8.781 -9.238 388 HG1 THR 52 1HG THR 52 7.632 8.126 -8.472 389 HG21 THR 52 3HG2 THR 52 10.606 6.859 -7.074 390 HG22 THR 52 1HG2 THR 52 11.640 7.679 -8.245 391 HG23 THR 52 2HG2 THR 52 10.556 6.393 -8.774 392 H PHE 53 H PHE 53 9.035 10.227 -4.873 393 HA PHE 53 HA PHE 53 8.600 9.420 -2.790 394 HB2 PHE 53 2HB PHE 53 6.526 8.107 -2.628 395 HB3 PHE 53 1HB PHE 53 6.346 9.465 -3.729 396 HD1 PHE 53 1HD PHE 53 7.177 5.825 -3.756 397 HD2 PHE 53 2HD PHE 53 5.387 9.099 -5.797 398 HE1 PHE 53 1HE PHE 53 6.338 4.287 -5.463 399 HE2 PHE 53 2HE PHE 53 4.547 7.556 -7.522 400 HZ PHE 53 HZ PHE 53 5.017 5.140 -7.346 401 H GLN 54 H GLN 54 10.658 7.911 -4.314 402 HA GLN 54 HA GLN 54 10.927 5.343 -4.396 403 HB2 GLN 54 2HB GLN 54 12.642 7.403 -3.361 404 HB3 GLN 54 1HB GLN 54 12.935 5.896 -2.503 405 HG2 GLN 54 2HG GLN 54 12.829 5.077 -5.111 406 HG3 GLN 54 1HG GLN 54 13.594 6.660 -5.234 407 HE21 GLN 54 1HE2 GLN 54 15.399 7.030 -3.655 408 HE22 GLN 54 2HE2 GLN 54 16.480 5.712 -3.378 409 HA PRO 55 HA PRO 55 9.091 3.399 -0.844 410 HB2 PRO 55 2HB PRO 55 10.551 0.961 -1.463 411 HB3 PRO 55 1HB PRO 55 8.823 1.292 -1.577 412 HG2 PRO 55 2HG PRO 55 10.441 0.956 -3.752 413 HG3 PRO 55 1HG PRO 55 8.939 1.892 -3.768 414 HD2 PRO 55 2HD PRO 55 11.762 2.836 -3.682 415 HD3 PRO 55 1HD PRO 55 10.345 3.564 -4.465 416 H THR 56 H THR 56 12.529 3.445 -1.399 417 HA THR 56 HA THR 56 13.603 2.158 0.780 418 HB THR 56 HB THR 56 14.994 3.256 -0.883 419 HG1 THR 56 1HG THR 56 16.496 3.556 0.542 420 HG21 THR 56 3HG2 THR 56 13.385 5.443 -0.683 421 HG22 THR 56 1HG2 THR 56 14.958 5.399 -1.478 422 HG23 THR 56 2HG2 THR 56 14.827 5.961 0.189 423 H THR 57 H THR 57 12.023 5.450 0.724 424 HA THR 57 HA THR 57 12.663 6.151 3.360 425 HB THR 57 HB THR 57 11.845 7.827 1.871 426 HG1 THR 57 1HG THR 57 10.709 8.780 3.352 427 HG21 THR 57 3HG2 THR 57 9.069 7.213 1.671 428 HG22 THR 57 1HG2 THR 57 10.014 5.883 1.002 429 HG23 THR 57 2HG2 THR 57 10.240 7.521 0.389 430 H GLY 58 H GLY 58 10.048 4.168 2.040 431 HA2 GLY 58 2HA GLY 58 9.399 2.401 3.773 432 HA3 GLY 58 1HA GLY 58 9.092 3.778 4.799 433 H HIS 59 H HIS 59 7.800 2.119 1.818 434 HA HIS 59 HA HIS 59 5.575 3.940 1.756 435 HB2 HIS 59 2HB HIS 59 6.592 1.776 0.082 436 HB3 HIS 59 1HB HIS 59 4.840 1.753 0.218 437 HD1 HIS 59 1HD HIS 59 7.045 4.812 0.025 438 HD2 HIS 59 2HD HIS 59 4.183 2.813 -2.252 439 HE1 HIS 59 1HE HIS 59 6.586 6.293 -1.946 440 HE2 HIS 59 2HE HIS 59 4.806 5.102 -3.264 441 H ARG 60 H ARG 60 3.503 3.542 2.301 442 HA ARG 60 HA ARG 60 3.011 1.328 4.200 443 HB2 ARG 60 2HB ARG 60 1.693 2.802 5.463 444 HB3 ARG 60 1HB ARG 60 3.029 3.801 4.934 445 HG2 ARG 60 2HG ARG 60 1.209 4.158 2.920 446 HG3 ARG 60 1HG ARG 60 0.200 4.056 4.358 447 HD2 ARG 60 2HD ARG 60 2.543 5.910 3.954 448 HD3 ARG 60 1HD ARG 60 0.842 6.363 3.901 449 HE ARG 60 HE ARG 60 0.718 6.109 6.230 450 HH11 ARG 60 1HH1 ARG 60 3.949 5.495 5.033 451 HH12 ARG 60 2HH1 ARG 60 4.678 5.631 6.595 452 HH21 ARG 60 1HH2 ARG 60 1.688 6.290 8.272 453 HH22 ARG 60 2HH2 ARG 60 3.401 6.080 8.430 454 H LEU 61 H LEU 61 0.496 0.800 4.251 455 HA LEU 61 HA LEU 61 -0.525 0.615 1.479 456 HB2 LEU 61 2HB LEU 61 0.083 -1.294 3.465 457 HB3 LEU 61 1HB LEU 61 -1.654 -1.216 3.479 458 HG LEU 61 HG LEU 61 -0.121 -2.869 1.942 459 HD11 LEU 61 1HD1 LEU 61 -2.219 -3.562 2.381 460 HD12 LEU 61 2HD1 LEU 61 -2.334 -3.175 0.670 461 HD13 LEU 61 3HD1 LEU 61 -2.953 -2.044 1.881 462 HD21 LEU 61 3HD2 LEU 61 -0.661 -2.205 -0.396 463 HD22 LEU 61 1HD2 LEU 61 0.635 -1.313 0.393 464 HD23 LEU 61 2HD2 LEU 61 -0.959 -0.584 0.231 465 H CYS 62 H CYS 62 -3.132 0.770 1.377 466 HA CYS 62 HA CYS 62 -4.046 2.060 3.819 467 HB2 CYS 62 2HB CYS 62 -5.507 3.396 1.842 468 HB3 CYS 62 1HB CYS 62 -4.185 3.975 2.802 469 H SER 63 H SER 63 -6.429 2.322 4.046 470 HA SER 63 HA SER 63 -7.707 0.458 5.026 471 HB2 SER 63 2HB SER 63 -8.531 2.875 3.687 472 HB3 SER 63 1HB SER 63 -9.807 1.666 3.592 473 HG SER 63 HG SER 63 -8.459 2.282 6.009 474 H VAL 64 H VAL 64 -9.133 1.059 1.986 475 HA VAL 64 HA VAL 64 -10.449 -1.444 2.029 476 HB VAL 64 HB VAL 64 -11.576 -0.754 0.012 477 HG11 VAL 64 1HG1 VAL 64 -12.222 0.203 2.200 478 HG12 VAL 64 2HG1 VAL 64 -12.539 1.307 0.862 479 HG13 VAL 64 3HG1 VAL 64 -11.135 1.560 1.902 480 HG21 VAL 64 3HG2 VAL 64 -9.362 1.249 -0.067 481 HG22 VAL 64 1HG2 VAL 64 -10.902 1.560 -0.867 482 HG23 VAL 64 2HG2 VAL 64 -9.925 0.170 -1.348 483 H HIS 65 H HIS 65 -7.593 -2.063 1.624 484 HA HIS 65 HA HIS 65 -7.900 -3.390 -1.010 485 HB2 HIS 65 2HB HIS 65 -5.183 -3.260 0.099 486 HB3 HIS 65 1HB HIS 65 -5.737 -3.095 -1.552 487 HD1 HIS 65 1HD HIS 65 -7.640 -0.640 -0.001 488 HD2 HIS 65 2HD HIS 65 -3.590 -0.981 -0.804 489 HE1 HIS 65 1HE HIS 65 -6.686 1.622 0.419 490 H PHE 66 H PHE 66 -8.839 -4.400 1.644 491 HA PHE 66 HA PHE 66 -7.145 -6.797 1.688 492 HB2 PHE 66 2HB PHE 66 -8.359 -5.217 3.934 493 HB3 PHE 66 1HB PHE 66 -8.049 -6.931 4.167 494 HD1 PHE 66 2HD PHE 66 -5.610 -7.644 3.264 495 HD2 PHE 66 1HD PHE 66 -6.732 -3.786 4.663 496 HE1 PHE 66 2HE PHE 66 -3.256 -7.148 3.772 497 HE2 PHE 66 1HE PHE 66 -4.377 -3.282 5.170 498 HZ PHE 66 HZ PHE 66 -2.637 -4.967 4.721 499 H GLN 67 H GLN 67 -8.454 -8.883 2.486 500 HA GLN 67 HA GLN 67 -11.138 -8.673 1.378 501 HB2 GLN 67 2HB GLN 67 -10.687 -11.380 1.670 502 HB3 GLN 67 1HB GLN 67 -10.448 -10.462 0.192 503 HG2 GLN 67 2HG GLN 67 -8.066 -10.067 1.061 504 HG3 GLN 67 1HG GLN 67 -8.411 -11.382 2.183 505 HE21 GLN 67 1HE2 GLN 67 -7.417 -13.128 1.477 506 HE22 GLN 67 2HE2 GLN 67 -7.411 -13.708 -0.151 507 H GLY 68 H GLY 68 -13.004 -9.741 2.806 508 HA2 GLY 68 2HA GLY 68 -13.332 -9.177 5.311 509 HA3 GLY 68 1HA GLY 68 -13.754 -10.776 4.753 510 H GLY 69 H GLY 69 -10.966 -8.968 6.188 511 HA2 GLY 69 2HA GLY 69 -10.522 -10.667 8.294 512 HA3 GLY 69 1HA GLY 69 -9.647 -11.389 6.950 513 H ARG 70 H ARG 70 -8.126 -10.705 9.037 514 HA ARG 70 HA ARG 70 -6.752 -8.279 8.123 515 HB2 ARG 70 2HB ARG 70 -6.058 -8.073 10.617 516 HB3 ARG 70 1HB ARG 70 -7.646 -7.503 10.121 517 HG2 ARG 70 2HG ARG 70 -8.696 -9.468 10.993 518 HG3 ARG 70 1HG ARG 70 -7.131 -10.211 11.326 519 HD2 ARG 70 2HD ARG 70 -8.345 -9.187 13.300 520 HD3 ARG 70 1HD ARG 70 -6.668 -8.702 13.072 521 HE ARG 70 HE ARG 70 -7.725 -6.683 11.894 522 HH11 ARG 70 1HH1 ARG 70 -9.149 -8.332 14.632 523 HH12 ARG 70 2HH1 ARG 70 -9.993 -6.929 15.188 524 HH21 ARG 70 1HH2 ARG 70 -8.834 -4.845 12.637 525 HH22 ARG 70 2HH2 ARG 70 -9.816 -4.953 14.060 526 H LYS 71 H LYS 71 -6.083 -10.683 7.115 527 HA LYS 71 HA LYS 71 -4.264 -11.955 6.668 528 HB2 LYS 71 2HB LYS 71 -3.155 -9.835 8.367 529 HB3 LYS 71 1HB LYS 71 -2.218 -11.318 8.348 530 HG2 LYS 71 2HG LYS 71 -1.328 -10.689 6.426 531 HG3 LYS 71 1HG LYS 71 -2.918 -10.797 5.681 532 HD2 LYS 71 2HD LYS 71 -1.792 -8.371 7.069 533 HD3 LYS 71 1HD LYS 71 -1.957 -8.588 5.323 534 HE2 LYS 71 2HE LYS 71 -4.215 -8.534 7.334 535 HE3 LYS 71 1HE LYS 71 -3.787 -7.242 6.210 536 HZ1 LYS 71 3HZ LYS 71 -5.612 -8.485 5.322 537 HZ2 LYS 71 1HZ LYS 71 -4.787 -9.948 5.515 538 HZ3 LYS 71 2HZ LYS 71 -4.247 -8.818 4.379 539 H THR 72 H THR 72 -4.752 -13.942 7.201 540 HA THR 72 HA THR 72 -4.049 -14.930 9.871 541 HB THR 72 HB THR 72 -6.029 -16.298 10.012 542 HG1 THR 72 1HG THR 72 -6.852 -15.212 7.530 543 HG21 THR 72 3HG2 THR 72 -6.209 -13.654 10.367 544 HG22 THR 72 1HG2 THR 72 -7.558 -14.764 10.606 545 HG23 THR 72 2HG2 THR 72 -7.415 -13.868 9.095 546 H TYR 73 H TYR 73 -5.057 -15.728 6.602 547 HA TYR 73 HA TYR 73 -2.773 -17.221 5.968 548 HB2 TYR 73 2HB TYR 73 -4.195 -18.783 7.544 549 HB3 TYR 73 1HB TYR 73 -5.183 -19.014 6.109 550 HD1 TYR 73 1HD TYR 73 -1.632 -19.195 7.242 551 HD2 TYR 73 2HD TYR 73 -4.616 -20.680 4.597 552 HE1 TYR 73 1HE TYR 73 -0.063 -20.914 6.446 553 HE2 TYR 73 2HE TYR 73 -3.056 -22.403 3.793 554 HH TYR 73 HH TYR 73 0.109 -22.309 4.110 555 H THR 74 H THR 74 -3.282 -18.436 3.684 556 HA THR 74 HA THR 74 -4.052 -18.262 1.561 557 HB THR 74 HB THR 74 -6.554 -16.915 1.875 558 HG1 THR 74 1HG THR 74 -7.482 -18.048 3.504 559 HG21 THR 74 3HG2 THR 74 -7.510 -18.902 1.088 560 HG22 THR 74 1HG2 THR 74 -6.162 -19.878 1.671 561 HG23 THR 74 2HG2 THR 74 -5.937 -18.789 0.301 562 H VAL 75 H VAL 75 -4.991 -15.309 3.361 563 HA VAL 75 HA VAL 75 -4.574 -13.621 1.069 564 HB VAL 75 HB VAL 75 -6.266 -13.357 3.026 565 HG11 VAL 75 1HG1 VAL 75 -4.151 -11.777 4.394 566 HG12 VAL 75 2HG1 VAL 75 -4.308 -13.509 4.698 567 HG13 VAL 75 3HG1 VAL 75 -5.665 -12.430 5.019 568 HG21 VAL 75 3HG2 VAL 75 -6.431 -10.997 2.807 569 HG22 VAL 75 1HG2 VAL 75 -5.899 -11.625 1.251 570 HG23 VAL 75 2HG2 VAL 75 -4.743 -10.843 2.338 571 H ARG 76 H ARG 76 -2.335 -13.780 0.477 572 HA ARG 76 HA ARG 76 -0.369 -13.220 2.559 573 HB2 ARG 76 2HB ARG 76 -0.369 -14.792 0.224 574 HB3 ARG 76 1HB ARG 76 0.748 -13.472 -0.095 575 HG2 ARG 76 2HG ARG 76 1.963 -14.014 1.962 576 HG3 ARG 76 1HG ARG 76 0.852 -15.353 2.255 577 HD2 ARG 76 2HD ARG 76 3.096 -15.895 1.159 578 HD3 ARG 76 1HD ARG 76 1.643 -16.563 0.418 579 HE ARG 76 HE ARG 76 2.021 -15.258 -1.435 580 HH11 ARG 76 1HH1 ARG 76 4.088 -14.190 1.167 581 HH12 ARG 76 2HH1 ARG 76 5.028 -13.146 0.156 582 HH21 ARG 76 1HH2 ARG 76 3.256 -13.885 -2.763 583 HH22 ARG 76 2HH2 ARG 76 4.554 -12.969 -2.073 584 H VAL 77 H VAL 77 -1.366 -11.889 -0.606 585 HA VAL 77 HA VAL 77 -0.311 -9.296 0.302 586 HB VAL 77 HB VAL 77 0.700 -8.822 -1.815 587 HG11 VAL 77 1HG1 VAL 77 1.297 -11.591 -0.820 588 HG12 VAL 77 2HG1 VAL 77 2.206 -10.106 -0.560 589 HG13 VAL 77 3HG1 VAL 77 2.202 -10.868 -2.148 590 HG21 VAL 77 3HG2 VAL 77 -1.075 -10.931 -2.778 591 HG22 VAL 77 1HG2 VAL 77 0.551 -10.988 -3.455 592 HG23 VAL 77 2HG2 VAL 77 -0.414 -9.523 -3.609 593 HA PRO 78 HA PRO 78 -4.544 -8.013 -0.595 594 HB2 PRO 78 2HB PRO 78 -3.144 -5.385 -0.667 595 HB3 PRO 78 1HB PRO 78 -4.624 -5.837 0.172 596 HG2 PRO 78 2HG PRO 78 -2.445 -5.602 1.578 597 HG3 PRO 78 1HG PRO 78 -3.419 -7.075 1.801 598 HD2 PRO 78 2HD PRO 78 -0.960 -6.689 0.120 599 HD3 PRO 78 1HD PRO 78 -1.304 -7.963 1.329 600 H THR 79 H THR 79 -4.026 -8.970 -3.059 601 HA THR 79 HA THR 79 -3.884 -6.447 -4.579 602 HB THR 79 HB THR 79 -4.042 -8.894 -6.173 603 HG1 THR 79 1HG THR 79 -1.963 -8.589 -4.286 604 HG21 THR 79 3HG2 THR 79 -1.580 -7.404 -6.374 605 HG22 THR 79 1HG2 THR 79 -2.993 -6.351 -6.475 606 HG23 THR 79 2HG2 THR 79 -2.824 -7.708 -7.589 607 H ILE 80 H ILE 80 -5.665 -5.631 -4.572 608 HA ILE 80 HA ILE 80 -8.040 -6.904 -5.719 609 HB ILE 80 HB ILE 80 -7.980 -4.814 -3.496 610 HG12 ILE 80 2HG1 ILE 80 -7.577 -6.758 -2.313 611 HG13 ILE 80 1HG1 ILE 80 -9.336 -6.738 -2.314 612 HG21 ILE 80 1HG2 ILE 80 -10.440 -5.186 -3.369 613 HG22 ILE 80 2HG2 ILE 80 -10.340 -6.075 -4.881 614 HG23 ILE 80 3HG2 ILE 80 -9.905 -4.362 -4.827 615 HD11 ILE 80 3HD1 ILE 80 -8.841 -8.156 -4.558 616 HD12 ILE 80 1HD1 ILE 80 -9.138 -8.846 -2.960 617 HD13 ILE 80 2HD1 ILE 80 -7.483 -8.628 -3.536 618 H PHE 81 H PHE 81 -8.954 -5.401 -7.436 619 HA PHE 81 HA PHE 81 -8.829 -3.675 -8.927 620 HB2 PHE 81 2HB PHE 81 -7.815 -1.462 -8.099 621 HB3 PHE 81 1HB PHE 81 -9.220 -2.052 -7.227 622 HD1 PHE 81 1HD PHE 81 -5.564 -1.525 -7.049 623 HD2 PHE 81 2HD PHE 81 -9.067 -2.705 -4.925 624 HE1 PHE 81 1HE PHE 81 -4.292 -1.476 -4.928 625 HE2 PHE 81 2HE PHE 81 -7.810 -2.661 -2.815 626 HZ PHE 81 HZ PHE 81 -5.414 -2.087 -2.800 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 6.537 19.563 -0.242 2 H2 GLY 1 2HT GLY 1 6.313 18.363 0.929 3 H3 GLY 1 3HT GLY 1 5.192 18.539 -0.326 4 HA2 GLY 1 1HA GLY 1 7.506 18.186 -1.678 5 HA3 GLY 1 2HA GLY 1 7.705 17.137 -0.283 6 H SER 2 H SER 2 6.616 15.234 -0.192 7 HA SER 2 HA SER 2 4.320 14.713 -1.833 8 HB2 SER 2 2HB SER 2 6.478 14.477 -3.305 9 HB3 SER 2 1HB SER 2 6.660 12.944 -2.452 10 HG SER 2 HG SER 2 5.453 12.493 -4.230 11 HA PRO 3 HA PRO 3 5.065 11.981 1.934 12 HB2 PRO 3 2HB PRO 3 3.389 13.133 3.693 13 HB3 PRO 3 1HB PRO 3 5.047 13.701 3.472 14 HG2 PRO 3 2HG PRO 3 2.498 14.836 2.405 15 HG3 PRO 3 1HG PRO 3 3.911 15.679 3.061 16 HD2 PRO 3 2HD PRO 3 3.401 15.374 0.376 17 HD3 PRO 3 1HD PRO 3 5.018 15.623 1.063 18 H GLY 4 H GLY 4 3.639 11.224 -0.225 19 HA2 GLY 4 2HA GLY 4 1.320 9.962 0.990 20 HA3 GLY 4 1HA GLY 4 0.982 11.025 -0.378 21 H PHE 5 H PHE 5 0.151 8.591 -0.997 22 HA PHE 5 HA PHE 5 1.664 7.828 -3.158 23 HB2 PHE 5 2HB PHE 5 2.175 5.421 -2.026 24 HB3 PHE 5 1HB PHE 5 3.360 6.701 -2.258 25 HD1 PHE 5 1HD PHE 5 0.790 5.668 0.245 26 HD2 PHE 5 2HD PHE 5 4.644 7.323 -0.467 27 HE1 PHE 5 1HE PHE 5 1.197 5.782 2.672 28 HE2 PHE 5 2HE PHE 5 5.055 7.429 1.953 29 HZ PHE 5 HZ PHE 5 3.327 6.659 3.527 30 H THR 6 H THR 6 0.747 5.874 -4.281 31 HA THR 6 HA THR 6 -2.005 5.844 -4.093 32 HB THR 6 HB THR 6 -1.235 3.442 -5.352 33 HG1 THR 6 1HG THR 6 0.449 5.547 -6.190 34 HG21 THR 6 3HG2 THR 6 -2.555 4.307 -6.889 35 HG22 THR 6 1HG2 THR 6 -1.337 5.527 -7.263 36 HG23 THR 6 2HG2 THR 6 -2.556 5.847 -6.029 37 H CYS 7 H CYS 7 0.082 4.253 -1.967 38 HA CYS 7 HA CYS 7 -0.194 2.404 -0.611 39 HB2 CYS 7 2HB CYS 7 -2.526 2.246 0.385 40 HB3 CYS 7 1HB CYS 7 -1.673 3.759 0.665 41 H CYS 8 H CYS 8 -0.725 2.112 -3.555 42 HA CYS 8 HA CYS 8 -1.370 0.479 -4.974 43 HB2 CYS 8 2HB CYS 8 -0.511 -1.267 -3.784 44 HB3 CYS 8 1HB CYS 8 -1.274 -0.775 -2.306 45 HG CYS 8 HG CYS 8 -2.672 -2.738 -2.669 46 H VAL 9 H VAL 9 -2.963 2.547 -4.727 47 HA VAL 9 HA VAL 9 -5.671 1.451 -4.381 48 HB VAL 9 HB VAL 9 -5.266 3.318 -2.896 49 HG11 VAL 9 1HG1 VAL 9 -5.082 5.448 -4.836 50 HG12 VAL 9 2HG1 VAL 9 -3.722 4.335 -4.973 51 HG13 VAL 9 3HG1 VAL 9 -4.071 5.117 -3.431 52 HG21 VAL 9 3HG2 VAL 9 -7.022 4.289 -5.159 53 HG22 VAL 9 1HG2 VAL 9 -7.185 4.706 -3.447 54 HG23 VAL 9 2HG2 VAL 9 -7.508 3.063 -4.003 55 HA PRO 10 HA PRO 10 -6.006 2.340 -8.836 56 HB2 PRO 10 2HB PRO 10 -7.524 0.233 -9.416 57 HB3 PRO 10 1HB PRO 10 -5.793 0.000 -9.124 58 HG2 PRO 10 2HG PRO 10 -8.101 -0.449 -7.258 59 HG3 PRO 10 1HG PRO 10 -6.692 -1.485 -7.567 60 HD2 PRO 10 2HD PRO 10 -6.857 0.248 -5.425 61 HD3 PRO 10 1HD PRO 10 -5.343 -0.288 -6.161 62 H GLY 11 H GLY 11 -7.889 2.001 -6.063 63 HA2 GLY 11 2HA GLY 11 -9.761 3.961 -6.451 64 HA3 GLY 11 1HA GLY 11 -10.527 2.472 -7.013 65 H CYS 12 H CYS 12 -9.082 4.088 -4.241 66 HA CYS 12 HA CYS 12 -10.470 2.197 -2.472 67 HB2 CYS 12 2HB CYS 12 -8.631 1.987 -1.016 68 HB3 CYS 12 1HB CYS 12 -7.912 1.872 -2.612 69 H TYR 13 H TYR 13 -9.222 3.790 -0.172 70 HA TYR 13 HA TYR 13 -11.237 5.777 -0.176 71 HB2 TYR 13 2HB TYR 13 -10.244 4.038 1.797 72 HB3 TYR 13 1HB TYR 13 -10.078 5.698 2.355 73 HD1 TYR 13 2HD TYR 13 -12.631 3.526 0.690 74 HD2 TYR 13 1HD TYR 13 -11.849 6.607 3.519 75 HE1 TYR 13 2HE TYR 13 -15.010 3.552 1.311 76 HE2 TYR 13 1HE TYR 13 -14.227 6.641 4.147 77 HH TYR 13 HH TYR 13 -16.193 4.800 4.016 78 H ASN 14 H ASN 14 -7.976 5.495 -0.335 79 HA ASN 14 HA ASN 14 -7.486 8.300 0.222 80 HB2 ASN 14 2HB ASN 14 -5.484 6.150 0.661 81 HB3 ASN 14 1HB ASN 14 -5.641 7.695 1.459 82 HD21 ASN 14 1HD2 ASN 14 -7.877 4.955 0.948 83 HD22 ASN 14 2HD2 ASN 14 -8.334 4.787 2.593 84 H ASN 15 H ASN 15 -5.597 9.362 -1.065 85 HA ASN 15 HA ASN 15 -5.242 7.841 -3.551 86 HB2 ASN 15 2HB ASN 15 -4.432 10.526 -3.993 87 HB3 ASN 15 1HB ASN 15 -5.864 9.716 -4.617 88 HD21 ASN 15 1HD2 ASN 15 -7.415 11.188 -4.452 89 HD22 ASN 15 2HD2 ASN 15 -7.846 12.032 -3.006 90 H SER 16 H SER 16 -2.951 8.383 -4.670 91 HA SER 16 HA SER 16 -0.981 7.659 -2.933 92 HB2 SER 16 2HB SER 16 0.548 7.672 -4.894 93 HB3 SER 16 1HB SER 16 -0.992 6.957 -5.297 94 HG SER 16 HG SER 16 -0.585 8.372 -6.913 95 H HIS 17 H HIS 17 0.164 10.113 -5.064 96 HA HIS 17 HA HIS 17 0.988 11.666 -2.748 97 HB2 HIS 17 2HB HIS 17 2.484 12.822 -4.284 98 HB3 HIS 17 1HB HIS 17 2.657 11.079 -4.468 99 HD1 HIS 17 1HD HIS 17 -0.337 11.685 -6.168 100 HD2 HIS 17 2HD HIS 17 3.641 12.518 -7.036 101 HE1 HIS 17 1HE HIS 17 -0.245 12.006 -8.659 102 HE2 HIS 17 2HE HIS 17 2.153 12.600 -9.150 103 H ARG 18 H ARG 18 -1.715 11.950 -3.005 104 HA ARG 18 HA ARG 18 -1.871 14.728 -3.901 105 HB2 ARG 18 2HB ARG 18 -3.931 12.613 -4.622 106 HB3 ARG 18 1HB ARG 18 -4.169 14.347 -4.802 107 HG2 ARG 18 2HG ARG 18 -1.772 13.081 -6.014 108 HG3 ARG 18 1HG ARG 18 -3.343 12.892 -6.797 109 HD2 ARG 18 2HD ARG 18 -2.362 14.799 -7.785 110 HD3 ARG 18 1HD ARG 18 -3.564 15.411 -6.650 111 HE ARG 18 HE ARG 18 -0.899 15.197 -5.569 112 HH11 ARG 18 1HH1 ARG 18 -3.171 17.242 -7.256 113 HH12 ARG 18 2HH1 ARG 18 -2.381 18.712 -6.794 114 HH21 ARG 18 1HH2 ARG 18 0.138 17.128 -4.959 115 HH22 ARG 18 2HH2 ARG 18 -0.502 18.647 -5.491 116 H ASP 19 H ASP 19 -2.196 12.718 -1.289 117 HA ASP 19 HA ASP 19 -4.036 14.631 -0.050 118 HB2 ASP 19 2HB ASP 19 -5.532 13.004 0.063 119 HB3 ASP 19 1HB ASP 19 -4.335 11.751 -0.233 120 H LYS 20 H LYS 20 -2.087 11.948 1.216 121 HA LYS 20 HA LYS 20 -0.482 11.907 2.842 122 HB2 LYS 20 2HB LYS 20 -0.351 14.904 2.889 123 HB3 LYS 20 1HB LYS 20 0.934 13.735 3.159 124 HG2 LYS 20 2HG LYS 20 1.527 13.771 1.022 125 HG3 LYS 20 1HG LYS 20 -0.131 13.522 0.482 126 HD2 LYS 20 2HD LYS 20 -0.564 15.931 0.796 127 HD3 LYS 20 1HD LYS 20 1.123 16.153 1.263 128 HE2 LYS 20 2HE LYS 20 1.015 16.754 -1.010 129 HE3 LYS 20 1HE LYS 20 1.729 15.142 -0.982 130 HZ1 LYS 20 3HZ LYS 20 -0.375 14.195 -1.590 131 HZ2 LYS 20 1HZ LYS 20 0.007 15.415 -2.700 132 HZ3 LYS 20 2HZ LYS 20 -1.143 15.700 -1.493 133 H ALA 21 H ALA 21 -3.036 11.667 3.684 134 HA ALA 21 HA ALA 21 -2.882 12.708 6.365 135 HB1 ALA 21 1HB ALA 21 -4.680 13.966 4.439 136 HB2 ALA 21 2HB ALA 21 -4.020 14.563 5.958 137 HB3 ALA 21 3HB ALA 21 -5.444 13.527 5.972 138 H LEU 22 H LEU 22 -5.416 11.048 4.285 139 HA LEU 22 HA LEU 22 -6.828 9.808 6.228 140 HB2 LEU 22 2HB LEU 22 -6.215 8.246 3.750 141 HB3 LEU 22 1HB LEU 22 -7.772 8.556 4.517 142 HG LEU 22 HG LEU 22 -6.954 11.053 3.628 143 HD11 LEU 22 1HD1 LEU 22 -6.463 9.001 1.526 144 HD12 LEU 22 2HD1 LEU 22 -5.203 9.912 2.336 145 HD13 LEU 22 3HD1 LEU 22 -6.409 10.734 1.344 146 HD21 LEU 22 3HD2 LEU 22 -8.867 8.977 2.672 147 HD22 LEU 22 1HD2 LEU 22 -8.632 10.471 1.762 148 HD23 LEU 22 2HD2 LEU 22 -9.193 10.534 3.437 149 H HIS 23 H HIS 23 -6.540 6.830 5.972 150 HA HIS 23 HA HIS 23 -4.342 6.572 7.819 151 HB2 HIS 23 2HB HIS 23 -6.958 5.591 7.563 152 HB3 HIS 23 1HB HIS 23 -5.921 4.188 7.372 153 HD1 HIS 23 1HD HIS 23 -5.731 7.171 9.744 154 HD2 HIS 23 2HD HIS 23 -5.759 3.015 9.804 155 HE1 HIS 23 1HE HIS 23 -5.455 6.532 12.160 156 HE2 HIS 23 2HE HIS 23 -5.550 4.015 12.182 157 H PHE 24 H PHE 24 -2.376 5.315 7.341 158 HA PHE 24 HA PHE 24 -2.568 3.446 5.096 159 HB2 PHE 24 2HB PHE 24 -0.126 5.159 5.668 160 HB3 PHE 24 1HB PHE 24 -0.262 3.955 4.406 161 HD1 PHE 24 2HD PHE 24 -1.775 7.184 5.520 162 HD2 PHE 24 1HD PHE 24 -0.810 4.681 2.182 163 HE1 PHE 24 2HE PHE 24 -2.399 8.981 3.963 164 HE2 PHE 24 1HE PHE 24 -1.407 6.454 0.655 165 HZ PHE 24 HZ PHE 24 -2.255 8.610 1.495 166 H TYR 25 H TYR 25 -1.788 1.303 5.737 167 HA TYR 25 HA TYR 25 -0.793 0.840 8.397 168 HB2 TYR 25 2HB TYR 25 -1.470 -1.049 6.110 169 HB3 TYR 25 1HB TYR 25 -0.941 -1.584 7.696 170 HD1 TYR 25 1HD TYR 25 -3.337 1.177 6.986 171 HD2 TYR 25 2HD TYR 25 -2.812 -2.798 8.402 172 HE1 TYR 25 1HE TYR 25 -5.672 1.147 7.747 173 HE2 TYR 25 2HE TYR 25 -5.148 -2.842 9.166 174 HH TYR 25 HH TYR 25 -7.445 -0.839 8.171 175 H THR 26 H THR 26 1.299 -0.512 8.745 176 HA THR 26 HA THR 26 3.201 0.227 6.636 177 HB THR 26 HB THR 26 4.689 0.722 8.263 178 HG1 THR 26 1HG THR 26 5.480 -1.096 8.964 179 HG21 THR 26 3HG2 THR 26 3.898 1.336 10.377 180 HG22 THR 26 1HG2 THR 26 2.598 0.142 10.329 181 HG23 THR 26 2HG2 THR 26 2.536 1.558 9.278 182 H PHE 27 H PHE 27 5.246 -1.321 6.609 183 HA PHE 27 HA PHE 27 4.184 -3.719 5.589 184 HB2 PHE 27 2HB PHE 27 6.702 -2.254 5.373 185 HB3 PHE 27 1HB PHE 27 6.681 -3.908 4.817 186 HD1 PHE 27 1HD PHE 27 4.035 -1.337 4.642 187 HD2 PHE 27 2HD PHE 27 6.827 -3.718 2.508 188 HE1 PHE 27 1HE PHE 27 3.054 -0.598 2.548 189 HE2 PHE 27 2HE PHE 27 5.857 -3.021 0.424 190 HZ PHE 27 HZ PHE 27 3.953 -1.431 0.393 191 HA PRO 28 HA PRO 28 5.407 -7.232 8.137 192 HB2 PRO 28 2HB PRO 28 6.751 -7.886 5.482 193 HB3 PRO 28 1HB PRO 28 5.934 -9.013 6.563 194 HG2 PRO 28 2HG PRO 28 4.667 -8.089 4.504 195 HG3 PRO 28 1HG PRO 28 3.835 -8.118 6.063 196 HD2 PRO 28 2HD PRO 28 4.892 -5.868 4.496 197 HD3 PRO 28 1HD PRO 28 3.534 -5.946 5.619 198 H LYS 29 H LYS 29 7.561 -8.465 8.672 199 HA LYS 29 HA LYS 29 9.705 -6.510 8.871 200 HB2 LYS 29 2HB LYS 29 10.303 -9.126 9.997 201 HB3 LYS 29 1HB LYS 29 10.286 -7.550 10.771 202 HG2 LYS 29 2HG LYS 29 7.815 -7.745 10.978 203 HG3 LYS 29 1HG LYS 29 7.944 -9.390 10.349 204 HD2 LYS 29 2HD LYS 29 9.800 -9.427 12.340 205 HD3 LYS 29 1HD LYS 29 8.596 -8.322 13.008 206 HE2 LYS 29 2HE LYS 29 7.900 -10.423 13.745 207 HE3 LYS 29 1HE LYS 29 6.877 -10.102 12.346 208 HZ1 LYS 29 3HZ LYS 29 7.853 -11.726 11.141 209 HZ2 LYS 29 1HZ LYS 29 8.179 -12.373 12.671 210 HZ3 LYS 29 2HZ LYS 29 9.376 -11.512 11.844 211 H ASP 30 H ASP 30 8.851 -9.178 6.945 212 HA ASP 30 HA ASP 30 11.555 -9.904 6.203 213 HB2 ASP 30 2HB ASP 30 9.647 -10.904 4.318 214 HB3 ASP 30 1HB ASP 30 10.539 -11.813 5.529 215 H ALA 31 H ALA 31 12.739 -8.607 4.876 216 HA ALA 31 HA ALA 31 11.918 -6.406 3.570 217 HB1 ALA 31 1HB ALA 31 14.157 -6.518 3.681 218 HB2 ALA 31 2HB ALA 31 13.971 -6.970 1.994 219 HB3 ALA 31 3HB ALA 31 14.239 -8.214 3.220 220 H GLU 32 H GLU 32 12.422 -9.464 1.606 221 HA GLU 32 HA GLU 32 11.280 -8.441 -0.728 222 HB2 GLU 32 2HB GLU 32 12.450 -10.459 -0.894 223 HB3 GLU 32 1HB GLU 32 11.535 -11.284 0.303 224 HG2 GLU 32 2HG GLU 32 10.313 -10.370 -2.283 225 HG3 GLU 32 1HG GLU 32 11.171 -11.901 -2.146 226 H LEU 33 H LEU 33 9.348 -10.587 1.548 227 HA LEU 33 HA LEU 33 7.016 -10.340 0.244 228 HB2 LEU 33 2HB LEU 33 7.496 -11.227 2.644 229 HB3 LEU 33 1HB LEU 33 7.119 -9.611 3.162 230 HG LEU 33 HG LEU 33 4.980 -10.091 3.195 231 HD11 LEU 33 1HD1 LEU 33 3.740 -10.742 1.163 232 HD12 LEU 33 2HD1 LEU 33 5.269 -10.955 0.323 233 HD13 LEU 33 3HD1 LEU 33 4.795 -9.361 0.901 234 HD21 LEU 33 3HD2 LEU 33 4.333 -12.496 2.423 235 HD22 LEU 33 1HD2 LEU 33 5.280 -12.232 3.887 236 HD23 LEU 33 2HD2 LEU 33 6.083 -12.709 2.391 237 H ARG 34 H ARG 34 8.682 -7.875 1.983 238 HA ARG 34 HA ARG 34 6.745 -5.852 1.980 239 HB2 ARG 34 2HB ARG 34 8.296 -4.673 3.105 240 HB3 ARG 34 1HB ARG 34 9.302 -6.097 2.998 241 HG2 ARG 34 2HG ARG 34 10.770 -4.574 2.227 242 HG3 ARG 34 1HG ARG 34 9.986 -4.926 0.698 243 HD2 ARG 34 2HD ARG 34 9.187 -2.862 0.527 244 HD3 ARG 34 1HD ARG 34 8.568 -2.887 2.177 245 HE ARG 34 HE ARG 34 10.344 -1.596 2.757 246 HH11 ARG 34 1HH1 ARG 34 11.246 -3.446 -0.064 247 HH12 ARG 34 2HH1 ARG 34 12.813 -2.721 -0.193 248 HH21 ARG 34 1HH2 ARG 34 12.404 -0.640 2.587 249 HH22 ARG 34 2HH2 ARG 34 13.470 -1.128 1.313 250 H ARG 35 H ARG 35 9.500 -6.287 -0.203 251 HA ARG 35 HA ARG 35 8.785 -4.254 -1.936 252 HB2 ARG 35 2HB ARG 35 10.114 -5.384 -3.672 253 HB3 ARG 35 1HB ARG 35 10.964 -5.254 -2.146 254 HG2 ARG 35 2HG ARG 35 11.461 -7.380 -2.947 255 HG3 ARG 35 1HG ARG 35 10.249 -7.632 -1.707 256 HD2 ARG 35 2HD ARG 35 9.947 -8.968 -3.808 257 HD3 ARG 35 1HD ARG 35 8.554 -8.032 -3.309 258 HE ARG 35 HE ARG 35 9.298 -6.361 -5.016 259 HH11 ARG 35 1HH1 ARG 35 10.149 -9.742 -5.333 260 HH12 ARG 35 2HH1 ARG 35 10.316 -9.657 -7.053 261 HH21 ARG 35 1HH2 ARG 35 9.521 -6.264 -7.271 262 HH22 ARG 35 2HH2 ARG 35 9.961 -7.691 -8.151 263 H LEU 36 H LEU 36 7.575 -7.548 -1.587 264 HA LEU 36 HA LEU 36 6.202 -7.618 -4.111 265 HB2 LEU 36 2HB LEU 36 5.574 -8.875 -1.453 266 HB3 LEU 36 1HB LEU 36 4.445 -8.999 -2.783 267 HG LEU 36 HG LEU 36 7.297 -9.986 -2.794 268 HD11 LEU 36 1HD1 LEU 36 6.013 -12.206 -3.074 269 HD12 LEU 36 2HD1 LEU 36 4.651 -11.323 -2.385 270 HD13 LEU 36 3HD1 LEU 36 6.145 -11.495 -1.464 271 HD21 LEU 36 3HD2 LEU 36 5.196 -9.780 -4.899 272 HD22 LEU 36 1HD2 LEU 36 6.305 -11.152 -4.916 273 HD23 LEU 36 2HD2 LEU 36 6.936 -9.507 -5.010 274 H TRP 37 H TRP 37 5.116 -6.271 -1.021 275 HA TRP 37 HA TRP 37 2.620 -5.401 -1.930 276 HB2 TRP 37 2HB TRP 37 4.541 -4.406 0.175 277 HB3 TRP 37 1HB TRP 37 3.003 -3.600 -0.111 278 HD1 TRP 37 HD TRP 37 3.261 -7.407 -0.324 279 HE1 TRP 37 1HE TRP 37 1.939 -8.439 1.640 280 HE3 TRP 37 3HE TRP 37 2.196 -3.136 2.256 281 HZ2 TRP 37 2HZ TRP 37 0.534 -7.528 3.941 282 HZ3 TRP 37 3HZ TRP 37 0.866 -3.329 4.340 283 HH2 TRP 37 HH TRP 37 0.046 -5.415 5.126 284 H LEU 38 H LEU 38 5.902 -3.880 -2.088 285 HA LEU 38 HA LEU 38 5.471 -1.332 -2.955 286 HB2 LEU 38 2HB LEU 38 7.427 -3.415 -3.899 287 HB3 LEU 38 1HB LEU 38 7.420 -1.835 -4.590 288 HG LEU 38 HG LEU 38 8.065 -0.810 -2.598 289 HD11 LEU 38 1HD1 LEU 38 8.022 -1.684 -0.450 290 HD12 LEU 38 2HD1 LEU 38 7.760 -3.323 -1.034 291 HD13 LEU 38 3HD1 LEU 38 6.478 -2.126 -1.173 292 HD21 LEU 38 3HD2 LEU 38 9.933 -2.608 -1.828 293 HD22 LEU 38 1HD2 LEU 38 10.080 -1.505 -3.195 294 HD23 LEU 38 2HD2 LEU 38 9.533 -3.163 -3.452 295 H LYS 39 H LYS 39 5.292 -4.320 -5.030 296 HA LYS 39 HA LYS 39 4.776 -3.089 -7.443 297 HB2 LYS 39 2HB LYS 39 4.450 -5.704 -6.146 298 HB3 LYS 39 1HB LYS 39 3.381 -5.470 -7.498 299 HG2 LYS 39 2HG LYS 39 5.752 -6.555 -7.738 300 HG3 LYS 39 1HG LYS 39 5.087 -5.527 -9.013 301 HD2 LYS 39 2HD LYS 39 6.531 -3.990 -7.013 302 HD3 LYS 39 1HD LYS 39 7.539 -5.242 -7.735 303 HE2 LYS 39 2HE LYS 39 5.960 -3.163 -9.242 304 HE3 LYS 39 1HE LYS 39 7.702 -3.142 -8.972 305 HZ1 LYS 39 3HZ LYS 39 8.046 -4.626 -10.590 306 HZ2 LYS 39 1HZ LYS 39 6.499 -4.204 -11.127 307 HZ3 LYS 39 2HZ LYS 39 6.714 -5.577 -10.164 308 H ASN 40 H ASN 40 2.376 -4.330 -5.168 309 HA ASN 40 HA ASN 40 0.101 -3.784 -6.580 310 HB2 ASN 40 2HB ASN 40 -0.144 -3.268 -3.691 311 HB3 ASN 40 1HB ASN 40 -1.047 -4.350 -4.727 312 HD21 ASN 40 1HD2 ASN 40 -0.296 -5.083 -2.206 313 HD22 ASN 40 2HD2 ASN 40 0.883 -6.342 -2.297 314 H VAL 41 H VAL 41 2.069 -1.387 -4.920 315 HA VAL 41 HA VAL 41 -0.166 0.363 -4.776 316 HB VAL 41 HB VAL 41 1.176 0.718 -3.007 317 HG11 VAL 41 1HG1 VAL 41 3.463 0.852 -4.926 318 HG12 VAL 41 2HG1 VAL 41 3.083 -0.414 -3.761 319 HG13 VAL 41 3HG1 VAL 41 3.580 1.183 -3.196 320 HG21 VAL 41 3HG2 VAL 41 1.521 2.990 -3.035 321 HG22 VAL 41 1HG2 VAL 41 0.435 2.780 -4.411 322 HG23 VAL 41 2HG2 VAL 41 2.171 2.984 -4.674 323 H SER 42 H SER 42 2.229 0.029 -7.305 324 HA SER 42 HA SER 42 0.826 1.376 -9.164 325 HB2 SER 42 2HB SER 42 0.294 3.434 -8.250 326 HB3 SER 42 1HB SER 42 1.716 3.500 -7.192 327 HG SER 42 HG SER 42 1.687 5.010 -9.004 328 H ARG 43 H ARG 43 3.933 3.225 -8.642 329 HA ARG 43 HA ARG 43 5.922 3.021 -9.697 330 HB2 ARG 43 2HB ARG 43 5.084 0.240 -10.531 331 HB3 ARG 43 1HB ARG 43 6.715 0.889 -10.484 332 HG2 ARG 43 2HG ARG 43 5.286 0.990 -7.927 333 HG3 ARG 43 1HG ARG 43 5.604 -0.634 -8.542 334 HD2 ARG 43 2HD ARG 43 7.705 1.513 -8.306 335 HD3 ARG 43 1HD ARG 43 7.393 0.308 -7.057 336 HE ARG 43 HE ARG 43 7.798 -1.204 -9.249 337 HH11 ARG 43 1HH1 ARG 43 9.626 1.406 -7.823 338 HH12 ARG 43 2HH1 ARG 43 11.153 0.803 -8.374 339 HH21 ARG 43 1HH2 ARG 43 9.803 -2.000 -9.972 340 HH22 ARG 43 2HH2 ARG 43 11.254 -1.132 -9.595 341 H ALA 44 H ALA 44 3.598 1.187 -11.703 342 HA ALA 44 HA ALA 44 4.554 2.133 -14.177 343 HB1 ALA 44 1HB ALA 44 2.774 0.977 -15.137 344 HB2 ALA 44 2HB ALA 44 1.702 1.283 -13.768 345 HB3 ALA 44 3HB ALA 44 3.022 0.123 -13.613 346 H GLY 45 H GLY 45 4.671 4.627 -13.356 347 HA2 GLY 45 2HA GLY 45 2.275 6.069 -13.061 348 HA3 GLY 45 1HA GLY 45 3.830 6.737 -13.518 349 H VAL 46 H VAL 46 3.641 4.685 -15.867 350 HA VAL 46 HA VAL 46 3.091 4.782 -18.070 351 HB VAL 46 HB VAL 46 0.635 6.370 -17.773 352 HG11 VAL 46 1HG1 VAL 46 1.529 3.838 -19.054 353 HG12 VAL 46 2HG1 VAL 46 0.772 5.261 -19.772 354 HG13 VAL 46 3HG1 VAL 46 -0.195 4.128 -18.827 355 HG21 VAL 46 3HG2 VAL 46 -0.516 4.303 -16.725 356 HG22 VAL 46 1HG2 VAL 46 0.307 5.450 -15.667 357 HG23 VAL 46 2HG2 VAL 46 1.090 3.929 -16.100 358 H SER 47 H SER 47 4.527 7.024 -16.748 359 HA SER 47 HA SER 47 4.743 8.732 -19.008 360 HB2 SER 47 2HB SER 47 3.536 10.616 -18.419 361 HB3 SER 47 1HB SER 47 2.489 9.378 -17.723 362 HG SER 47 HG SER 47 3.532 11.399 -16.474 363 H GLY 48 H GLY 48 4.974 9.137 -15.282 364 HA2 GLY 48 2HA GLY 48 7.745 10.024 -15.790 365 HA3 GLY 48 1HA GLY 48 6.789 10.415 -14.368 366 H CYS 49 H CYS 49 9.351 8.689 -15.332 367 HA CYS 49 HA CYS 49 9.007 6.751 -13.153 368 HB2 CYS 49 2HB CYS 49 10.017 4.984 -14.463 369 HB3 CYS 49 1HB CYS 49 8.635 5.626 -15.342 370 HG CYS 49 HG CYS 49 10.988 5.258 -16.746 371 H PHE 50 H PHE 50 11.531 5.529 -13.427 372 HA PHE 50 HA PHE 50 13.767 5.773 -13.002 373 HB2 PHE 50 2HB PHE 50 13.310 7.830 -14.735 374 HB3 PHE 50 1HB PHE 50 13.820 8.729 -13.312 375 HD1 PHE 50 1HD PHE 50 14.840 5.765 -15.331 376 HD2 PHE 50 2HD PHE 50 16.061 9.121 -13.016 377 HE1 PHE 50 1HE PHE 50 17.191 5.279 -15.874 378 HE2 PHE 50 2HE PHE 50 18.413 8.642 -13.556 379 HZ PHE 50 HZ PHE 50 18.981 6.719 -14.987 380 H SER 51 H SER 51 12.149 8.869 -11.824 381 HA SER 51 HA SER 51 13.336 8.271 -9.195 382 HB2 SER 51 2HB SER 51 13.820 10.486 -10.414 383 HB3 SER 51 1HB SER 51 12.155 10.919 -10.024 384 HG SER 51 HG SER 51 12.804 10.350 -7.779 385 H THR 52 H THR 52 11.178 6.755 -9.753 386 HA THR 52 HA THR 52 8.673 7.848 -9.101 387 HB THR 52 HB THR 52 7.866 5.664 -9.111 388 HG1 THR 52 1HG THR 52 8.713 4.356 -7.732 389 HG21 THR 52 3HG2 THR 52 10.220 4.602 -10.436 390 HG22 THR 52 1HG2 THR 52 9.765 6.195 -11.045 391 HG23 THR 52 2HG2 THR 52 8.594 4.875 -11.064 392 H PHE 53 H PHE 53 7.453 6.788 -7.011 393 HA PHE 53 HA PHE 53 8.898 7.864 -4.734 394 HB2 PHE 53 2HB PHE 53 6.671 7.354 -3.567 395 HB3 PHE 53 1HB PHE 53 6.658 8.600 -4.809 396 HD1 PHE 53 1HD PHE 53 6.280 4.855 -4.682 397 HD2 PHE 53 2HD PHE 53 4.844 8.592 -6.162 398 HE1 PHE 53 1HE PHE 53 4.475 3.695 -5.880 399 HE2 PHE 53 2HE PHE 53 3.038 7.427 -7.356 400 HZ PHE 53 HZ PHE 53 2.855 4.979 -7.216 401 H GLN 54 H GLN 54 10.015 5.472 -5.710 402 HA GLN 54 HA GLN 54 9.614 3.051 -5.084 403 HB2 GLN 54 2HB GLN 54 11.879 4.166 -5.311 404 HB3 GLN 54 1HB GLN 54 11.884 4.299 -3.561 405 HG2 GLN 54 2HG GLN 54 11.611 1.817 -3.463 406 HG3 GLN 54 1HG GLN 54 11.832 1.785 -5.213 407 HE21 GLN 54 1HE2 GLN 54 13.791 3.876 -5.300 408 HE22 GLN 54 2HE2 GLN 54 15.251 3.230 -4.643 409 HA PRO 55 HA PRO 55 7.384 3.026 -1.160 410 HB2 PRO 55 2HB PRO 55 7.537 0.113 -1.516 411 HB3 PRO 55 1HB PRO 55 6.124 1.126 -1.281 412 HG2 PRO 55 2HG PRO 55 6.626 0.073 -3.667 413 HG3 PRO 55 1HG PRO 55 6.002 1.728 -3.520 414 HD2 PRO 55 2HD PRO 55 8.803 0.790 -4.034 415 HD3 PRO 55 1HD PRO 55 7.901 2.124 -4.798 416 H THR 56 H THR 56 10.430 1.618 -1.847 417 HA THR 56 HA THR 56 11.061 0.270 0.511 418 HB THR 56 HB THR 56 13.427 1.008 0.022 419 HG1 THR 56 1HG THR 56 12.960 3.040 -0.883 420 HG21 THR 56 3HG2 THR 56 12.321 -0.949 -1.123 421 HG22 THR 56 1HG2 THR 56 13.704 -0.234 -1.952 422 HG23 THR 56 2HG2 THR 56 12.068 0.123 -2.500 423 H THR 57 H THR 57 11.258 3.854 -0.220 424 HA THR 57 HA THR 57 12.480 4.728 2.071 425 HB THR 57 HB THR 57 11.997 6.309 0.379 426 HG1 THR 57 1HG THR 57 11.828 7.581 2.049 427 HG21 THR 57 3HG2 THR 57 9.118 6.543 0.687 428 HG22 THR 57 1HG2 THR 57 9.621 5.005 -0.012 429 HG23 THR 57 2HG2 THR 57 10.109 6.519 -0.770 430 H GLY 58 H GLY 58 8.940 4.315 1.662 431 HA2 GLY 58 2HA GLY 58 8.483 3.201 4.168 432 HA3 GLY 58 1HA GLY 58 8.376 4.939 4.371 433 H HIS 59 H HIS 59 7.200 2.593 1.907 434 HA HIS 59 HA HIS 59 4.704 4.067 1.731 435 HB2 HIS 59 2HB HIS 59 6.133 2.082 0.114 436 HB3 HIS 59 1HB HIS 59 4.405 1.861 0.120 437 HD1 HIS 59 1HD HIS 59 6.389 5.094 -0.114 438 HD2 HIS 59 2HD HIS 59 3.544 2.863 -2.184 439 HE1 HIS 59 1HE HIS 59 5.766 6.493 -2.121 440 HE2 HIS 59 2HE HIS 59 4.018 5.137 -3.330 441 H ARG 60 H ARG 60 2.636 3.081 2.094 442 HA ARG 60 HA ARG 60 2.569 0.714 3.873 443 HB2 ARG 60 2HB ARG 60 0.782 2.406 5.089 444 HB3 ARG 60 1HB ARG 60 2.442 2.156 5.587 445 HG2 ARG 60 2HG ARG 60 1.731 4.285 3.617 446 HG3 ARG 60 1HG ARG 60 1.609 4.550 5.356 447 HD2 ARG 60 2HD ARG 60 4.111 3.362 4.911 448 HD3 ARG 60 1HD ARG 60 3.921 4.596 3.670 449 HE ARG 60 HE ARG 60 4.076 6.213 5.292 450 HH11 ARG 60 1HH1 ARG 60 3.578 3.111 6.817 451 HH12 ARG 60 2HH1 ARG 60 3.854 3.715 8.416 452 HH21 ARG 60 1HH2 ARG 60 4.437 7.005 7.393 453 HH22 ARG 60 2HH2 ARG 60 4.341 5.924 8.742 454 H LEU 61 H LEU 61 0.040 0.057 4.239 455 HA LEU 61 HA LEU 61 -1.359 0.522 1.679 456 HB2 LEU 61 2HB LEU 61 -0.926 -1.924 3.057 457 HB3 LEU 61 1HB LEU 61 -2.614 -1.639 3.095 458 HG LEU 61 HG LEU 61 -2.868 -2.306 0.984 459 HD11 LEU 61 1HD1 LEU 61 -1.888 -0.128 0.272 460 HD12 LEU 61 2HD1 LEU 61 -1.727 -1.460 -0.867 461 HD13 LEU 61 3HD1 LEU 61 -0.351 -0.969 0.116 462 HD21 LEU 61 3HD2 LEU 61 -1.583 -4.067 0.507 463 HD22 LEU 61 1HD2 LEU 61 -0.702 -3.664 1.974 464 HD23 LEU 61 2HD2 LEU 61 -0.127 -3.093 0.414 465 H CYS 62 H CYS 62 -3.920 0.644 1.947 466 HA CYS 62 HA CYS 62 -4.517 1.666 4.635 467 HB2 CYS 62 2HB CYS 62 -4.628 3.769 3.883 468 HB3 CYS 62 1HB CYS 62 -3.783 3.143 2.504 469 H SER 63 H SER 63 -6.848 2.603 4.661 470 HA SER 63 HA SER 63 -8.777 1.226 5.281 471 HB2 SER 63 2HB SER 63 -8.763 3.669 3.600 472 HB3 SER 63 1HB SER 63 -10.238 2.739 3.418 473 HG SER 63 HG SER 63 -10.826 3.463 5.280 474 H VAL 64 H VAL 64 -8.541 1.521 1.742 475 HA VAL 64 HA VAL 64 -10.426 -0.711 1.654 476 HB VAL 64 HB VAL 64 -9.768 0.649 -0.876 477 HG11 VAL 64 1HG1 VAL 64 -11.553 -1.153 -0.334 478 HG12 VAL 64 2HG1 VAL 64 -11.979 0.215 -1.364 479 HG13 VAL 64 3HG1 VAL 64 -12.451 0.210 0.334 480 HG21 VAL 64 3HG2 VAL 64 -11.190 2.554 -0.322 481 HG22 VAL 64 1HG2 VAL 64 -9.767 2.505 0.715 482 HG23 VAL 64 2HG2 VAL 64 -11.325 1.976 1.337 483 H HIS 65 H HIS 65 -7.772 -1.513 2.180 484 HA HIS 65 HA HIS 65 -7.407 -3.181 -0.218 485 HB2 HIS 65 2HB HIS 65 -5.040 -2.396 1.465 486 HB3 HIS 65 1HB HIS 65 -5.059 -3.071 -0.161 487 HD1 HIS 65 1HD HIS 65 -4.410 -1.364 -1.846 488 HD2 HIS 65 2HD HIS 65 -6.407 0.268 1.359 489 HE1 HIS 65 1HE HIS 65 -4.489 1.097 -2.293 490 H PHE 66 H PHE 66 -9.002 -3.871 2.046 491 HA PHE 66 HA PHE 66 -7.504 -6.217 2.848 492 HB2 PHE 66 2HB PHE 66 -8.404 -4.074 4.743 493 HB3 PHE 66 1HB PHE 66 -8.300 -5.735 5.307 494 HD1 PHE 66 1HD PHE 66 -6.015 -6.919 4.534 495 HD2 PHE 66 2HD PHE 66 -6.603 -2.751 5.154 496 HE1 PHE 66 1HE PHE 66 -3.609 -6.648 4.926 497 HE2 PHE 66 2HE PHE 66 -4.198 -2.460 5.549 498 HZ PHE 66 HZ PHE 66 -2.684 -4.439 5.435 499 H GLN 67 H GLN 67 -9.019 -7.910 4.056 500 HA GLN 67 HA GLN 67 -11.757 -7.540 3.130 501 HB2 GLN 67 2HB GLN 67 -9.994 -9.704 2.884 502 HB3 GLN 67 1HB GLN 67 -11.107 -10.200 4.149 503 HG2 GLN 67 2HG GLN 67 -12.209 -10.980 2.322 504 HG3 GLN 67 1HG GLN 67 -12.917 -9.370 2.440 505 HE21 GLN 67 1HE2 GLN 67 -12.099 -11.425 0.237 506 HE22 GLN 67 2HE2 GLN 67 -11.403 -10.412 -0.976 507 H GLY 68 H GLY 68 -13.550 -7.978 4.942 508 HA2 GLY 68 2HA GLY 68 -14.212 -7.547 7.102 509 HA3 GLY 68 1HA GLY 68 -13.287 -9.004 7.391 510 H GLY 69 H GLY 69 -10.801 -8.549 7.785 511 HA2 GLY 69 2HA GLY 69 -9.597 -6.244 8.408 512 HA3 GLY 69 1HA GLY 69 -10.657 -6.455 9.792 513 H ARG 70 H ARG 70 -7.635 -6.547 9.345 514 HA ARG 70 HA ARG 70 -6.022 -7.471 10.695 515 HB2 ARG 70 2HB ARG 70 -6.504 -8.965 12.302 516 HB3 ARG 70 1HB ARG 70 -8.170 -8.707 11.821 517 HG2 ARG 70 2HG ARG 70 -7.751 -10.668 10.181 518 HG3 ARG 70 1HG ARG 70 -6.358 -11.009 11.214 519 HD2 ARG 70 2HD ARG 70 -7.858 -12.254 12.344 520 HD3 ARG 70 1HD ARG 70 -8.251 -10.709 13.093 521 HE ARG 70 HE ARG 70 -9.818 -12.123 11.066 522 HH11 ARG 70 1HH1 ARG 70 -9.466 -9.364 13.187 523 HH12 ARG 70 2HH1 ARG 70 -11.128 -8.899 13.052 524 HH21 ARG 70 1HH2 ARG 70 -11.994 -11.502 10.889 525 HH22 ARG 70 2HH2 ARG 70 -12.561 -10.108 11.749 526 H LYS 71 H LYS 71 -7.603 -8.979 8.039 527 HA LYS 71 HA LYS 71 -6.895 -10.399 6.405 528 HB2 LYS 71 2HB LYS 71 -5.594 -8.887 5.372 529 HB3 LYS 71 1HB LYS 71 -4.880 -8.346 6.871 530 HG2 LYS 71 2HG LYS 71 -3.606 -10.745 6.471 531 HG3 LYS 71 1HG LYS 71 -3.845 -10.164 4.831 532 HD2 LYS 71 2HD LYS 71 -1.680 -9.486 5.909 533 HD3 LYS 71 1HD LYS 71 -2.643 -8.159 5.268 534 HE2 LYS 71 2HE LYS 71 -3.481 -8.479 7.932 535 HE3 LYS 71 1HE LYS 71 -1.720 -8.634 7.954 536 HZ1 LYS 71 3HZ LYS 71 -3.375 -6.332 7.241 537 HZ2 LYS 71 1HZ LYS 71 -1.907 -6.527 6.421 538 HZ3 LYS 71 2HZ LYS 71 -1.924 -6.392 8.108 539 H THR 72 H THR 72 -6.992 -12.478 7.017 540 HA THR 72 HA THR 72 -4.575 -13.655 8.212 541 HB THR 72 HB THR 72 -6.311 -13.404 9.956 542 HG1 THR 72 1HG THR 72 -5.363 -15.140 10.617 543 HG21 THR 72 3HG2 THR 72 -8.107 -14.173 7.982 544 HG22 THR 72 1HG2 THR 72 -8.441 -13.939 9.698 545 HG23 THR 72 2HG2 THR 72 -8.030 -15.543 9.091 546 H TYR 73 H TYR 73 -3.765 -15.170 6.934 547 HA TYR 73 HA TYR 73 -3.544 -16.711 5.290 548 HB2 TYR 73 2HB TYR 73 -5.139 -17.814 7.104 549 HB3 TYR 73 1HB TYR 73 -6.308 -17.739 5.792 550 HD1 TYR 73 2HD TYR 73 -2.738 -18.753 6.276 551 HD2 TYR 73 1HD TYR 73 -6.501 -19.637 4.498 552 HE1 TYR 73 2HE TYR 73 -1.802 -20.827 5.343 553 HE2 TYR 73 1HE TYR 73 -5.575 -21.715 3.561 554 HH TYR 73 HH TYR 73 -2.446 -22.344 3.215 555 H THR 74 H THR 74 -4.866 -17.701 3.216 556 HA THR 74 HA THR 74 -5.629 -17.154 1.152 557 HB THR 74 HB THR 74 -7.870 -15.624 1.469 558 HG1 THR 74 1HG THR 74 -8.321 -15.521 3.500 559 HG21 THR 74 3HG2 THR 74 -8.811 -18.109 2.140 560 HG22 THR 74 1HG2 THR 74 -7.305 -18.466 1.293 561 HG23 THR 74 2HG2 THR 74 -8.554 -17.502 0.506 562 H VAL 75 H VAL 75 -6.262 -14.156 3.035 563 HA VAL 75 HA VAL 75 -5.445 -12.503 0.813 564 HB VAL 75 HB VAL 75 -7.310 -11.921 2.360 565 HG11 VAL 75 1HG1 VAL 75 -5.561 -12.707 4.340 566 HG12 VAL 75 2HG1 VAL 75 -7.144 -11.966 4.565 567 HG13 VAL 75 3HG1 VAL 75 -5.692 -10.963 4.559 568 HG21 VAL 75 3HG2 VAL 75 -5.101 -9.861 2.563 569 HG22 VAL 75 1HG2 VAL 75 -6.828 -9.584 2.741 570 HG23 VAL 75 2HG2 VAL 75 -6.181 -10.061 1.177 571 H ARG 76 H ARG 76 -3.172 -12.954 0.486 572 HA ARG 76 HA ARG 76 -1.402 -12.662 2.773 573 HB2 ARG 76 2HB ARG 76 -1.218 -13.761 0.066 574 HB3 ARG 76 1HB ARG 76 0.204 -12.853 0.536 575 HG2 ARG 76 2HG ARG 76 0.236 -14.246 2.646 576 HG3 ARG 76 1HG ARG 76 -0.979 -15.265 1.871 577 HD2 ARG 76 2HD ARG 76 1.436 -14.653 0.280 578 HD3 ARG 76 1HD ARG 76 1.665 -15.699 1.682 579 HE ARG 76 HE ARG 76 -0.525 -16.467 -0.023 580 HH11 ARG 76 1HH1 ARG 76 2.897 -16.785 0.589 581 HH12 ARG 76 2HH1 ARG 76 3.029 -18.307 -0.227 582 HH21 ARG 76 1HH2 ARG 76 -0.353 -18.471 -1.096 583 HH22 ARG 76 2HH2 ARG 76 1.185 -19.263 -1.184 584 H VAL 77 H VAL 77 -1.631 -11.151 -0.455 585 HA VAL 77 HA VAL 77 -0.447 -8.712 0.684 586 HB VAL 77 HB VAL 77 0.399 -8.148 -1.460 587 HG11 VAL 77 1HG1 VAL 77 1.634 -10.039 -2.216 588 HG12 VAL 77 2HG1 VAL 77 0.467 -11.156 -1.508 589 HG13 VAL 77 3HG1 VAL 77 1.479 -10.159 -0.464 590 HG21 VAL 77 3HG2 VAL 77 -0.381 -9.681 -3.456 591 HG22 VAL 77 1HG2 VAL 77 -1.275 -8.238 -2.985 592 HG23 VAL 77 2HG2 VAL 77 -1.831 -9.830 -2.463 593 HA PRO 78 HA PRO 78 -4.618 -7.062 0.668 594 HB2 PRO 78 2HB PRO 78 -3.137 -4.497 0.538 595 HB3 PRO 78 1HB PRO 78 -4.439 -4.988 1.601 596 HG2 PRO 78 2HG PRO 78 -2.020 -4.923 2.579 597 HG3 PRO 78 1HG PRO 78 -3.010 -6.366 2.892 598 HD2 PRO 78 2HD PRO 78 -0.893 -5.952 0.798 599 HD3 PRO 78 1HD PRO 78 -1.067 -7.300 1.959 600 H THR 79 H THR 79 -4.327 -7.904 -1.872 601 HA THR 79 HA THR 79 -4.899 -5.327 -3.159 602 HB THR 79 HB THR 79 -4.499 -7.111 -5.254 603 HG1 THR 79 1HG THR 79 -3.618 -8.681 -3.981 604 HG21 THR 79 3HG2 THR 79 -2.022 -6.064 -5.013 605 HG22 THR 79 1HG2 THR 79 -2.972 -4.915 -4.069 606 HG23 THR 79 2HG2 THR 79 -3.395 -5.240 -5.751 607 H ILE 80 H ILE 80 -6.936 -5.095 -3.045 608 HA ILE 80 HA ILE 80 -8.669 -7.190 -4.223 609 HB ILE 80 HB ILE 80 -9.354 -5.262 -1.986 610 HG12 ILE 80 2HG1 ILE 80 -8.134 -7.538 -1.583 611 HG13 ILE 80 1HG1 ILE 80 -9.497 -7.092 -0.562 612 HG21 ILE 80 1HG2 ILE 80 -11.065 -6.664 -3.920 613 HG22 ILE 80 2HG2 ILE 80 -11.381 -5.222 -2.955 614 HG23 ILE 80 3HG2 ILE 80 -11.553 -6.822 -2.233 615 HD11 ILE 80 3HD1 ILE 80 -9.405 -9.477 -1.427 616 HD12 ILE 80 1HD1 ILE 80 -9.838 -8.802 -2.998 617 HD13 ILE 80 2HD1 ILE 80 -10.926 -8.605 -1.623 618 H PHE 81 H PHE 81 -8.654 -6.243 -6.349 619 HA PHE 81 HA PHE 81 -10.282 -3.921 -6.638 620 HB2 PHE 81 2HB PHE 81 -7.680 -3.281 -7.892 621 HB3 PHE 81 1HB PHE 81 -8.825 -2.226 -7.084 622 HD1 PHE 81 1HD PHE 81 -8.828 -2.361 -4.458 623 HD2 PHE 81 2HD PHE 81 -5.615 -3.692 -6.919 624 HE1 PHE 81 1HE PHE 81 -7.316 -2.257 -2.525 625 HE2 PHE 81 2HE PHE 81 -4.076 -3.554 -4.995 626 HZ PHE 81 HZ PHE 81 -4.955 -2.898 -2.746 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 7.581 20.725 -0.805 2 H2 GLY 1 2HT GLY 1 8.473 21.010 -2.213 3 H3 GLY 1 3HT GLY 1 8.603 19.524 -1.417 4 HA2 GLY 1 1HA GLY 1 5.909 20.228 -2.180 5 HA3 GLY 1 2HA GLY 1 7.008 19.998 -3.532 6 H SER 2 H SER 2 6.024 18.444 -0.479 7 HA SER 2 HA SER 2 7.009 15.901 -1.005 8 HB2 SER 2 2HB SER 2 5.602 17.047 1.048 9 HB3 SER 2 1HB SER 2 4.413 15.929 0.382 10 HG SER 2 HG SER 2 7.067 15.166 1.010 11 HA PRO 3 HA PRO 3 4.234 14.706 -4.281 12 HB2 PRO 3 2HB PRO 3 5.384 12.389 -4.932 13 HB3 PRO 3 1HB PRO 3 6.186 13.934 -5.243 14 HG2 PRO 3 2HG PRO 3 6.684 11.938 -3.084 15 HG3 PRO 3 1HG PRO 3 7.840 12.943 -3.974 16 HD2 PRO 3 2HD PRO 3 6.827 13.479 -1.425 17 HD3 PRO 3 1HD PRO 3 7.645 14.644 -2.482 18 H GLY 4 H GLY 4 3.650 13.924 -1.338 19 HA2 GLY 4 2HA GLY 4 2.292 12.437 -0.203 20 HA3 GLY 4 1HA GLY 4 1.369 12.514 -1.696 21 H PHE 5 H PHE 5 0.753 10.115 -1.186 22 HA PHE 5 HA PHE 5 1.789 8.289 -2.723 23 HB2 PHE 5 2HB PHE 5 3.429 6.978 -1.706 24 HB3 PHE 5 1HB PHE 5 4.029 8.627 -1.702 25 HD1 PHE 5 1HD PHE 5 4.030 9.928 0.405 26 HD2 PHE 5 2HD PHE 5 3.058 5.798 0.273 27 HE1 PHE 5 1HE PHE 5 4.430 9.772 2.831 28 HE2 PHE 5 2HE PHE 5 3.464 5.625 2.700 29 HZ PHE 5 HZ PHE 5 4.144 7.613 3.982 30 H THR 6 H THR 6 -0.349 9.186 -0.958 31 HA THR 6 HA THR 6 -1.237 7.379 0.903 32 HB THR 6 HB THR 6 -2.409 9.397 -0.903 33 HG1 THR 6 1HG THR 6 -1.832 10.365 0.841 34 HG21 THR 6 3HG2 THR 6 -4.442 8.703 0.926 35 HG22 THR 6 1HG2 THR 6 -4.076 7.271 -0.029 36 HG23 THR 6 2HG2 THR 6 -4.527 8.775 -0.822 37 H CYS 7 H CYS 7 -0.165 5.500 -0.487 38 HA CYS 7 HA CYS 7 -0.489 3.554 -1.665 39 HB2 CYS 7 2HB CYS 7 -1.933 3.123 0.276 40 HB3 CYS 7 1HB CYS 7 -3.246 3.994 -0.500 41 H CYS 8 H CYS 8 -0.224 4.553 -3.794 42 HA CYS 8 HA CYS 8 -1.994 5.912 -5.314 43 HB2 CYS 8 2HB CYS 8 0.157 5.277 -6.195 44 HB3 CYS 8 1HB CYS 8 -0.301 3.579 -6.192 45 HG CYS 8 HG CYS 8 -2.216 4.714 -8.014 46 H VAL 9 H VAL 9 -3.935 5.235 -4.289 47 HA VAL 9 HA VAL 9 -5.135 2.721 -4.702 48 HB VAL 9 HB VAL 9 -6.122 5.364 -3.687 49 HG11 VAL 9 1HG1 VAL 9 -7.966 3.314 -3.041 50 HG12 VAL 9 2HG1 VAL 9 -7.801 3.381 -4.788 51 HG13 VAL 9 3HG1 VAL 9 -8.254 4.827 -3.893 52 HG21 VAL 9 3HG2 VAL 9 -4.996 2.954 -2.582 53 HG22 VAL 9 1HG2 VAL 9 -6.481 3.470 -1.789 54 HG23 VAL 9 2HG2 VAL 9 -5.115 4.574 -1.907 55 HA PRO 10 HA PRO 10 -6.750 3.771 -8.789 56 HB2 PRO 10 2HB PRO 10 -7.229 1.256 -9.573 57 HB3 PRO 10 1HB PRO 10 -5.576 1.889 -9.538 58 HG2 PRO 10 2HG PRO 10 -6.984 0.166 -7.534 59 HG3 PRO 10 1HG PRO 10 -5.344 -0.004 -8.190 60 HD2 PRO 10 2HD PRO 10 -5.876 1.145 -5.767 61 HD3 PRO 10 1HD PRO 10 -4.482 1.586 -6.773 62 H GLY 11 H GLY 11 -7.985 2.062 -6.033 63 HA2 GLY 11 2HA GLY 11 -10.622 3.061 -6.468 64 HA3 GLY 11 1HA GLY 11 -10.531 1.340 -6.769 65 H CYS 12 H CYS 12 -8.327 1.605 -4.330 66 HA CYS 12 HA CYS 12 -10.277 0.700 -2.457 67 HB2 CYS 12 2HB CYS 12 -8.237 0.743 -0.822 68 HB3 CYS 12 1HB CYS 12 -8.388 -0.485 -2.052 69 H TYR 13 H TYR 13 -8.508 2.138 -0.197 70 HA TYR 13 HA TYR 13 -10.544 3.841 0.609 71 HB2 TYR 13 2HB TYR 13 -8.496 2.736 1.879 72 HB3 TYR 13 1HB TYR 13 -7.848 4.349 1.709 73 HD1 TYR 13 2HD TYR 13 -11.465 3.741 2.082 74 HD2 TYR 13 1HD TYR 13 -7.868 4.812 4.089 75 HE1 TYR 13 2HE TYR 13 -12.771 4.478 4.027 76 HE2 TYR 13 1HE TYR 13 -9.167 5.552 6.033 77 HH TYR 13 HH TYR 13 -11.406 6.286 6.584 78 H ASN 14 H ASN 14 -7.429 5.303 0.567 79 HA ASN 14 HA ASN 14 -8.290 7.501 -1.159 80 HB2 ASN 14 2HB ASN 14 -6.883 8.943 0.419 81 HB3 ASN 14 1HB ASN 14 -8.365 8.318 1.064 82 HD21 ASN 14 1HD2 ASN 14 -8.266 6.129 2.027 83 HD22 ASN 14 2HD2 ASN 14 -6.925 5.707 3.022 84 H ASN 15 H ASN 15 -6.326 8.422 -2.457 85 HA ASN 15 HA ASN 15 -4.364 6.290 -2.643 86 HB2 ASN 15 2HB ASN 15 -4.106 7.455 -5.085 87 HB3 ASN 15 1HB ASN 15 -5.299 6.221 -4.745 88 HD21 ASN 15 1HD2 ASN 15 -5.155 8.592 -6.602 89 HD22 ASN 15 2HD2 ASN 15 -6.660 9.405 -6.353 90 H SER 16 H SER 16 -2.043 6.802 -3.524 91 HA SER 16 HA SER 16 -0.690 8.333 -2.040 92 HB2 SER 16 2HB SER 16 0.666 6.891 -3.316 93 HB3 SER 16 1HB SER 16 -0.270 7.161 -4.746 94 HG SER 16 HG SER 16 1.681 8.122 -5.080 95 H HIS 17 H HIS 17 0.807 10.265 -3.146 96 HA HIS 17 HA HIS 17 0.497 12.619 -3.168 97 HB2 HIS 17 2HB HIS 17 0.968 13.194 -5.436 98 HB3 HIS 17 1HB HIS 17 1.714 11.632 -5.114 99 HD1 HIS 17 1HD HIS 17 -0.574 13.321 -7.398 100 HD2 HIS 17 2HD HIS 17 0.224 9.403 -6.267 101 HE1 HIS 17 1HE HIS 17 -1.616 11.882 -9.178 102 HE2 HIS 17 2HE HIS 17 -1.050 9.518 -8.514 103 H ARG 18 H ARG 18 -1.959 12.188 -2.199 104 HA ARG 18 HA ARG 18 -3.560 13.970 -3.784 105 HB2 ARG 18 2HB ARG 18 -3.739 11.445 -4.602 106 HB3 ARG 18 1HB ARG 18 -4.950 11.391 -3.315 107 HG2 ARG 18 2HG ARG 18 -6.415 12.349 -4.643 108 HG3 ARG 18 1HG ARG 18 -5.341 13.729 -4.901 109 HD2 ARG 18 2HD ARG 18 -4.127 11.851 -6.431 110 HD3 ARG 18 1HD ARG 18 -5.820 11.364 -6.592 111 HE ARG 18 HE ARG 18 -5.407 14.173 -7.014 112 HH11 ARG 18 1HH1 ARG 18 -5.341 11.025 -8.522 113 HH12 ARG 18 2HH1 ARG 18 -5.598 11.647 -10.118 114 HH21 ARG 18 1HH2 ARG 18 -5.747 14.991 -9.113 115 HH22 ARG 18 2HH2 ARG 18 -5.829 13.897 -10.454 116 H ASP 19 H ASP 19 -3.512 11.858 -0.866 117 HA ASP 19 HA ASP 19 -5.113 13.921 0.469 118 HB2 ASP 19 2HB ASP 19 -5.730 10.974 0.455 119 HB3 ASP 19 1HB ASP 19 -6.423 12.107 1.611 120 H LYS 20 H LYS 20 -4.059 10.736 1.498 121 HA LYS 20 HA LYS 20 -2.714 10.006 3.166 122 HB2 LYS 20 2HB LYS 20 -0.674 10.970 3.354 123 HB3 LYS 20 1HB LYS 20 -1.232 11.896 1.970 124 HG2 LYS 20 2HG LYS 20 -2.134 13.449 3.992 125 HG3 LYS 20 1HG LYS 20 -0.697 12.749 4.732 126 HD2 LYS 20 2HD LYS 20 -0.280 13.659 1.985 127 HD3 LYS 20 1HD LYS 20 -0.739 14.949 3.097 128 HE2 LYS 20 2HE LYS 20 1.333 15.003 3.888 129 HE3 LYS 20 1HE LYS 20 1.182 13.325 4.405 130 HZ1 LYS 20 3HZ LYS 20 2.056 14.231 1.715 131 HZ2 LYS 20 1HZ LYS 20 1.917 12.620 2.215 132 HZ3 LYS 20 2HZ LYS 20 3.069 13.632 2.931 133 H ALA 21 H ALA 21 -5.197 11.911 3.632 134 HA ALA 21 HA ALA 21 -4.628 12.616 6.417 135 HB1 ALA 21 1HB ALA 21 -6.822 13.309 4.512 136 HB2 ALA 21 2HB ALA 21 -5.709 14.372 5.374 137 HB3 ALA 21 3HB ALA 21 -7.015 13.570 6.246 138 H LEU 22 H LEU 22 -5.698 9.805 4.970 139 HA LEU 22 HA LEU 22 -7.576 9.204 7.121 140 HB2 LEU 22 2HB LEU 22 -7.247 7.507 4.628 141 HB3 LEU 22 1HB LEU 22 -8.650 7.645 5.683 142 HG LEU 22 HG LEU 22 -8.049 9.079 3.253 143 HD11 LEU 22 1HD1 LEU 22 -10.593 9.701 4.390 144 HD12 LEU 22 2HD1 LEU 22 -10.257 7.992 4.650 145 HD13 LEU 22 3HD1 LEU 22 -10.220 8.662 3.017 146 HD21 LEU 22 3HD2 LEU 22 -9.198 11.208 4.243 147 HD22 LEU 22 1HD2 LEU 22 -7.446 11.032 4.291 148 HD23 LEU 22 2HD2 LEU 22 -8.410 10.694 5.730 149 H HIS 23 H HIS 23 -6.981 6.116 6.886 150 HA HIS 23 HA HIS 23 -4.581 6.282 8.494 151 HB2 HIS 23 2HB HIS 23 -7.014 4.904 8.697 152 HB3 HIS 23 1HB HIS 23 -5.823 3.657 8.354 153 HD1 HIS 23 1HD HIS 23 -3.587 5.439 10.019 154 HD2 HIS 23 2HD HIS 23 -7.210 3.897 11.344 155 HE1 HIS 23 1HE HIS 23 -3.367 5.255 12.517 156 HE2 HIS 23 2HE HIS 23 -5.532 4.224 13.285 157 H PHE 24 H PHE 24 -2.610 4.963 8.015 158 HA PHE 24 HA PHE 24 -2.829 3.378 5.612 159 HB2 PHE 24 2HB PHE 24 -0.729 5.431 6.150 160 HB3 PHE 24 1HB PHE 24 -0.418 4.076 5.068 161 HD1 PHE 24 2HD PHE 24 -3.053 6.645 5.661 162 HD2 PHE 24 1HD PHE 24 -0.828 4.484 2.712 163 HE1 PHE 24 2HE PHE 24 -4.228 7.810 3.849 164 HE2 PHE 24 1HE PHE 24 -2.020 5.582 0.998 165 HZ PHE 24 HZ PHE 24 -3.706 7.241 1.489 166 H TYR 25 H TYR 25 -1.827 1.265 5.701 167 HA TYR 25 HA TYR 25 -0.801 0.464 8.267 168 HB2 TYR 25 2HB TYR 25 -1.596 -0.970 5.747 169 HB3 TYR 25 1HB TYR 25 -0.643 -1.808 6.966 170 HD1 TYR 25 2HD TYR 25 -3.274 0.693 7.664 171 HD2 TYR 25 1HD TYR 25 -2.241 -3.431 7.631 172 HE1 TYR 25 2HE TYR 25 -5.337 0.174 8.898 173 HE2 TYR 25 1HE TYR 25 -4.301 -3.966 8.865 174 HH TYR 25 HH TYR 25 -5.929 -2.935 10.267 175 H THR 26 H THR 26 1.367 -0.762 8.443 176 HA THR 26 HA THR 26 3.254 0.455 6.558 177 HB THR 26 HB THR 26 4.671 0.784 8.290 178 HG1 THR 26 1HG THR 26 5.554 -0.916 9.100 179 HG21 THR 26 3HG2 THR 26 2.522 -0.165 10.152 180 HG22 THR 26 1HG2 THR 26 2.438 1.377 9.301 181 HG23 THR 26 2HG2 THR 26 3.757 1.063 10.430 182 H PHE 27 H PHE 27 5.398 -0.915 6.336 183 HA PHE 27 HA PHE 27 4.658 -3.195 4.911 184 HB2 PHE 27 2HB PHE 27 6.992 -1.585 5.273 185 HB3 PHE 27 1HB PHE 27 7.374 -3.244 4.906 186 HD1 PHE 27 1HD PHE 27 4.299 -2.271 3.461 187 HD2 PHE 27 2HD PHE 27 8.501 -2.033 2.934 188 HE1 PHE 27 1HE PHE 27 3.986 -1.794 1.066 189 HE2 PHE 27 2HE PHE 27 8.197 -1.596 0.576 190 HZ PHE 27 HZ PHE 27 5.928 -1.455 -0.384 191 HA PRO 28 HA PRO 28 5.213 -6.717 7.750 192 HB2 PRO 28 2HB PRO 28 6.577 -7.644 5.195 193 HB3 PRO 28 1HB PRO 28 5.604 -8.619 6.292 194 HG2 PRO 28 2HG PRO 28 4.490 -7.670 4.142 195 HG3 PRO 28 1HG PRO 28 3.619 -7.501 5.672 196 HD2 PRO 28 2HD PRO 28 5.003 -5.458 4.041 197 HD3 PRO 28 1HD PRO 28 3.624 -5.307 5.113 198 H LYS 29 H LYS 29 7.190 -8.134 8.468 199 HA LYS 29 HA LYS 29 9.481 -6.404 8.820 200 HB2 LYS 29 2HB LYS 29 10.250 -8.637 10.063 201 HB3 LYS 29 1HB LYS 29 9.181 -7.458 10.813 202 HG2 LYS 29 2HG LYS 29 7.324 -8.811 10.579 203 HG3 LYS 29 1HG LYS 29 8.034 -9.731 9.252 204 HD2 LYS 29 2HD LYS 29 8.422 -11.292 10.819 205 HD3 LYS 29 1HD LYS 29 9.778 -10.259 11.279 206 HE2 LYS 29 2HE LYS 29 8.831 -9.713 13.228 207 HE3 LYS 29 1HE LYS 29 7.264 -9.419 12.479 208 HZ1 LYS 29 3HZ LYS 29 6.555 -11.495 12.937 209 HZ2 LYS 29 1HZ LYS 29 7.717 -11.411 14.165 210 HZ3 LYS 29 2HZ LYS 29 8.075 -12.201 12.713 211 H ASP 30 H ASP 30 8.623 -9.105 6.903 212 HA ASP 30 HA ASP 30 11.320 -9.909 6.258 213 HB2 ASP 30 2HB ASP 30 9.362 -10.856 4.380 214 HB3 ASP 30 1HB ASP 30 10.277 -11.798 5.541 215 H ALA 31 H ALA 31 12.587 -8.702 4.894 216 HA ALA 31 HA ALA 31 11.867 -6.562 3.436 217 HB1 ALA 31 1HB ALA 31 14.101 -6.747 3.599 218 HB2 ALA 31 2HB ALA 31 13.927 -7.295 1.941 219 HB3 ALA 31 3HB ALA 31 14.129 -8.469 3.244 220 H GLU 32 H GLU 32 12.309 -9.749 1.652 221 HA GLU 32 HA GLU 32 11.251 -8.837 -0.758 222 HB2 GLU 32 2HB GLU 32 12.305 -10.927 -0.756 223 HB3 GLU 32 1HB GLU 32 11.316 -11.611 0.471 224 HG2 GLU 32 2HG GLU 32 10.215 -10.825 -2.210 225 HG3 GLU 32 1HG GLU 32 10.977 -12.390 -1.929 226 H LEU 33 H LEU 33 9.132 -10.711 1.586 227 HA LEU 33 HA LEU 33 6.847 -10.387 0.199 228 HB2 LEU 33 2HB LEU 33 7.261 -11.179 2.656 229 HB3 LEU 33 1HB LEU 33 6.921 -9.528 3.084 230 HG LEU 33 HG LEU 33 4.756 -9.906 3.046 231 HD11 LEU 33 1HD1 LEU 33 4.697 -9.479 0.653 232 HD12 LEU 33 2HD1 LEU 33 3.550 -10.752 1.069 233 HD13 LEU 33 3HD1 LEU 33 5.091 -11.161 0.323 234 HD21 LEU 33 3HD2 LEU 33 5.822 -12.628 2.631 235 HD22 LEU 33 1HD2 LEU 33 4.087 -12.389 2.523 236 HD23 LEU 33 2HD2 LEU 33 4.935 -11.955 3.999 237 H ARG 34 H ARG 34 8.639 -7.958 1.852 238 HA ARG 34 HA ARG 34 6.857 -5.806 1.680 239 HB2 ARG 34 2HB ARG 34 8.478 -4.475 2.570 240 HB3 ARG 34 1HB ARG 34 9.188 -6.028 2.955 241 HG2 ARG 34 2HG ARG 34 11.041 -5.277 1.995 242 HG3 ARG 34 1HG ARG 34 10.223 -5.395 0.448 243 HD2 ARG 34 2HD ARG 34 10.429 -3.207 0.213 244 HD3 ARG 34 1HD ARG 34 9.384 -2.988 1.608 245 HE ARG 34 HE ARG 34 12.143 -3.496 2.259 246 HH11 ARG 34 1HH1 ARG 34 9.759 -1.045 1.552 247 HH12 ARG 34 2HH1 ARG 34 10.633 0.213 2.357 248 HH21 ARG 34 1HH2 ARG 34 13.293 -1.840 3.316 249 HH22 ARG 34 2HH2 ARG 34 12.638 -0.237 3.358 250 H ARG 35 H ARG 35 9.596 -6.550 -0.454 251 HA ARG 35 HA ARG 35 8.949 -4.520 -2.245 252 HB2 ARG 35 2HB ARG 35 10.611 -5.238 -3.590 253 HB3 ARG 35 1HB ARG 35 11.095 -6.155 -2.177 254 HG2 ARG 35 2HG ARG 35 9.209 -7.626 -3.845 255 HG3 ARG 35 1HG ARG 35 10.621 -7.099 -4.750 256 HD2 ARG 35 2HD ARG 35 10.504 -8.843 -2.319 257 HD3 ARG 35 1HD ARG 35 11.171 -9.216 -3.903 258 HE ARG 35 HE ARG 35 12.469 -7.765 -1.766 259 HH11 ARG 35 1HH1 ARG 35 12.453 -8.499 -5.179 260 HH12 ARG 35 2HH1 ARG 35 14.127 -8.109 -5.395 261 HH21 ARG 35 1HH2 ARG 35 14.667 -7.253 -2.051 262 HH22 ARG 35 2HH2 ARG 35 15.382 -7.404 -3.621 263 H LEU 36 H LEU 36 7.586 -7.758 -1.723 264 HA LEU 36 HA LEU 36 6.178 -7.807 -4.251 265 HB2 LEU 36 2HB LEU 36 5.380 -8.997 -1.581 266 HB3 LEU 36 1HB LEU 36 4.512 -9.259 -3.075 267 HG LEU 36 HG LEU 36 7.280 -10.200 -2.360 268 HD11 LEU 36 1HD1 LEU 36 4.700 -11.567 -3.092 269 HD12 LEU 36 2HD1 LEU 36 5.574 -11.652 -1.563 270 HD13 LEU 36 3HD1 LEU 36 6.255 -12.394 -3.011 271 HD21 LEU 36 3HD2 LEU 36 7.443 -9.386 -4.613 272 HD22 LEU 36 1HD2 LEU 36 5.934 -10.184 -5.059 273 HD23 LEU 36 2HD2 LEU 36 7.355 -11.147 -4.659 274 H TRP 37 H TRP 37 5.326 -6.357 -1.124 275 HA TRP 37 HA TRP 37 2.822 -5.468 -2.058 276 HB2 TRP 37 2HB TRP 37 4.648 -4.591 0.158 277 HB3 TRP 37 1HB TRP 37 3.197 -3.672 -0.226 278 HD1 TRP 37 HD TRP 37 3.283 -7.465 -0.481 279 HE1 TRP 37 1HE TRP 37 1.754 -8.480 1.363 280 HE3 TRP 37 3HE TRP 37 2.035 -3.184 1.948 281 HZ2 TRP 37 2HZ TRP 37 0.173 -7.510 3.550 282 HZ3 TRP 37 3HZ TRP 37 0.553 -3.277 3.867 283 HH2 TRP 37 HH TRP 37 -0.382 -5.376 4.647 284 H LEU 38 H LEU 38 6.138 -4.103 -2.271 285 HA LEU 38 HA LEU 38 5.806 -1.513 -3.014 286 HB2 LEU 38 2HB LEU 38 7.504 -3.718 -4.151 287 HB3 LEU 38 1HB LEU 38 7.456 -2.218 -4.982 288 HG LEU 38 HG LEU 38 9.141 -2.896 -2.881 289 HD11 LEU 38 1HD1 LEU 38 9.658 -0.355 -3.062 290 HD12 LEU 38 2HD1 LEU 38 8.515 -0.413 -4.403 291 HD13 LEU 38 3HD1 LEU 38 9.961 -1.420 -4.435 292 HD21 LEU 38 3HD2 LEU 38 7.375 -2.424 -1.277 293 HD22 LEU 38 1HD2 LEU 38 7.164 -0.816 -1.973 294 HD23 LEU 38 2HD2 LEU 38 8.675 -1.237 -1.173 295 H LYS 39 H LYS 39 5.182 -4.491 -5.019 296 HA LYS 39 HA LYS 39 4.362 -3.361 -7.372 297 HB2 LYS 39 2HB LYS 39 4.067 -5.872 -5.909 298 HB3 LYS 39 1HB LYS 39 2.801 -5.617 -7.074 299 HG2 LYS 39 2HG LYS 39 4.935 -6.902 -7.721 300 HG3 LYS 39 1HG LYS 39 4.256 -5.735 -8.863 301 HD2 LYS 39 2HD LYS 39 6.165 -4.544 -7.006 302 HD3 LYS 39 1HD LYS 39 6.869 -5.836 -7.976 303 HE2 LYS 39 2HE LYS 39 5.650 -4.607 -9.941 304 HE3 LYS 39 1HE LYS 39 5.700 -3.232 -8.840 305 HZ1 LYS 39 3HZ LYS 39 7.671 -3.872 -10.524 306 HZ2 LYS 39 1HZ LYS 39 8.197 -4.670 -9.127 307 HZ3 LYS 39 2HZ LYS 39 7.904 -3.005 -9.091 308 H ASN 40 H ASN 40 2.142 -4.385 -4.785 309 HA ASN 40 HA ASN 40 -0.203 -3.463 -5.964 310 HB2 ASN 40 2HB ASN 40 -0.460 -3.244 -3.105 311 HB3 ASN 40 1HB ASN 40 -1.174 -4.418 -4.205 312 HD21 ASN 40 1HD2 ASN 40 0.394 -6.137 -4.931 313 HD22 ASN 40 2HD2 ASN 40 1.430 -6.804 -3.718 314 H VAL 41 H VAL 41 2.188 -1.658 -4.282 315 HA VAL 41 HA VAL 41 0.411 0.458 -3.601 316 HB VAL 41 HB VAL 41 2.719 -0.242 -2.515 317 HG11 VAL 41 1HG1 VAL 41 4.416 1.480 -2.978 318 HG12 VAL 41 2HG1 VAL 41 3.447 2.037 -4.341 319 HG13 VAL 41 3HG1 VAL 41 4.135 0.417 -4.349 320 HG21 VAL 41 3HG2 VAL 41 2.262 1.426 -1.075 321 HG22 VAL 41 1HG2 VAL 41 0.825 1.631 -2.076 322 HG23 VAL 41 2HG2 VAL 41 2.237 2.653 -2.341 323 H SER 42 H SER 42 2.311 -0.155 -6.494 324 HA SER 42 HA SER 42 1.231 1.349 -8.287 325 HB2 SER 42 2HB SER 42 0.813 3.430 -7.476 326 HB3 SER 42 1HB SER 42 2.097 3.368 -6.259 327 HG SER 42 HG SER 42 2.181 4.796 -8.342 328 H ARG 43 H ARG 43 4.431 2.928 -7.461 329 HA ARG 43 HA ARG 43 6.351 2.898 -8.627 330 HB2 ARG 43 2HB ARG 43 7.476 0.920 -8.555 331 HB3 ARG 43 1HB ARG 43 6.134 0.509 -7.507 332 HG2 ARG 43 2HG ARG 43 5.835 -1.279 -8.781 333 HG3 ARG 43 1HG ARG 43 5.227 -0.193 -10.026 334 HD2 ARG 43 2HD ARG 43 7.147 -1.883 -10.559 335 HD3 ARG 43 1HD ARG 43 7.181 -0.260 -11.231 336 HE ARG 43 HE ARG 43 8.842 -1.259 -9.025 337 HH11 ARG 43 1HH1 ARG 43 8.112 1.247 -11.355 338 HH12 ARG 43 2HH1 ARG 43 9.619 2.064 -11.125 339 HH21 ARG 43 1HH2 ARG 43 10.818 -0.176 -8.731 340 HH22 ARG 43 2HH2 ARG 43 11.153 1.260 -9.640 341 H ALA 44 H ALA 44 3.706 3.088 -10.132 342 HA ALA 44 HA ALA 44 4.212 1.905 -12.706 343 HB1 ALA 44 1HB ALA 44 2.116 3.584 -11.473 344 HB2 ALA 44 2HB ALA 44 1.975 2.151 -12.491 345 HB3 ALA 44 3HB ALA 44 2.290 3.725 -13.224 346 H GLY 45 H GLY 45 6.602 3.042 -12.762 347 HA2 GLY 45 2HA GLY 45 7.846 5.016 -13.237 348 HA3 GLY 45 1HA GLY 45 7.167 4.503 -14.757 349 H VAL 46 H VAL 46 6.044 6.405 -11.958 350 HA VAL 46 HA VAL 46 4.602 8.161 -13.775 351 HB VAL 46 HB VAL 46 4.609 8.991 -10.974 352 HG11 VAL 46 1HG1 VAL 46 2.429 8.238 -12.912 353 HG12 VAL 46 2HG1 VAL 46 3.058 9.859 -12.618 354 HG13 VAL 46 3HG1 VAL 46 2.184 9.006 -11.344 355 HG21 VAL 46 3HG2 VAL 46 3.641 6.225 -11.666 356 HG22 VAL 46 1HG2 VAL 46 3.125 7.116 -10.235 357 HG23 VAL 46 2HG2 VAL 46 4.821 6.678 -10.437 358 H SER 47 H SER 47 7.600 8.139 -13.619 359 HA SER 47 HA SER 47 8.006 10.917 -13.937 360 HB2 SER 47 2HB SER 47 9.005 11.612 -11.954 361 HB3 SER 47 1HB SER 47 7.760 10.528 -11.330 362 HG SER 47 HG SER 47 9.724 10.066 -10.338 363 H GLY 48 H GLY 48 10.003 8.053 -12.544 364 HA2 GLY 48 2HA GLY 48 11.392 6.999 -14.362 365 HA3 GLY 48 1HA GLY 48 11.878 8.638 -14.763 366 H CYS 49 H CYS 49 13.463 9.632 -13.593 367 HA CYS 49 HA CYS 49 14.779 7.963 -11.559 368 HB2 CYS 49 2HB CYS 49 16.853 9.118 -12.136 369 HB3 CYS 49 1HB CYS 49 16.130 8.395 -13.570 370 HG CYS 49 HG CYS 49 16.078 11.452 -12.993 371 H PHE 50 H PHE 50 13.126 10.909 -12.058 372 HA PHE 50 HA PHE 50 14.267 12.688 -10.279 373 HB2 PHE 50 2HB PHE 50 11.418 12.165 -11.121 374 HB3 PHE 50 1HB PHE 50 11.749 13.353 -9.868 375 HD1 PHE 50 1HD PHE 50 14.169 12.847 -12.551 376 HD2 PHE 50 2HD PHE 50 10.811 15.117 -11.251 377 HE1 PHE 50 1HE PHE 50 14.642 14.532 -14.281 378 HE2 PHE 50 2HE PHE 50 11.278 16.805 -12.979 379 HZ PHE 50 HZ PHE 50 13.195 16.513 -14.498 380 H SER 51 H SER 51 11.345 10.654 -9.346 381 HA SER 51 HA SER 51 12.409 9.445 -7.115 382 HB2 SER 51 2HB SER 51 12.026 12.286 -6.696 383 HB3 SER 51 1HB SER 51 11.009 11.352 -5.597 384 HG SER 51 HG SER 51 12.894 10.212 -4.960 385 H THR 52 H THR 52 9.557 11.463 -7.812 386 HA THR 52 HA THR 52 7.353 10.987 -7.956 387 HB THR 52 HB THR 52 7.314 8.117 -7.915 388 HG1 THR 52 1HG THR 52 9.223 7.774 -8.717 389 HG21 THR 52 3HG2 THR 52 7.010 8.841 -10.537 390 HG22 THR 52 1HG2 THR 52 6.474 10.284 -9.675 391 HG23 THR 52 2HG2 THR 52 5.714 8.726 -9.346 392 H PHE 53 H PHE 53 8.756 8.419 -5.954 393 HA PHE 53 HA PHE 53 7.772 9.335 -3.508 394 HB2 PHE 53 2HB PHE 53 5.920 7.565 -3.243 395 HB3 PHE 53 1HB PHE 53 5.538 9.014 -4.172 396 HD1 PHE 53 1HD PHE 53 6.426 5.437 -4.442 397 HD2 PHE 53 2HD PHE 53 4.922 8.876 -6.441 398 HE1 PHE 53 1HE PHE 53 5.756 4.028 -6.337 399 HE2 PHE 53 2HE PHE 53 4.243 7.473 -8.346 400 HZ PHE 53 HZ PHE 53 4.660 5.046 -8.297 401 H GLN 54 H GLN 54 10.171 8.385 -3.732 402 HA GLN 54 HA GLN 54 10.883 5.811 -3.937 403 HB2 GLN 54 2HB GLN 54 12.287 7.838 -3.297 404 HB3 GLN 54 1HB GLN 54 11.889 7.453 -1.631 405 HG2 GLN 54 2HG GLN 54 12.805 5.114 -2.191 406 HG3 GLN 54 1HG GLN 54 13.533 5.904 -3.589 407 HE21 GLN 54 1HE2 GLN 54 15.495 6.667 -3.313 408 HE22 GLN 54 2HE2 GLN 54 16.220 7.104 -1.806 409 HA PRO 55 HA PRO 55 8.353 3.732 -0.839 410 HB2 PRO 55 2HB PRO 55 9.842 1.331 -1.622 411 HB3 PRO 55 1HB PRO 55 8.114 1.669 -1.744 412 HG2 PRO 55 2HG PRO 55 9.703 1.547 -3.915 413 HG3 PRO 55 1HG PRO 55 8.323 2.658 -3.819 414 HD2 PRO 55 2HD PRO 55 11.244 3.222 -3.428 415 HD3 PRO 55 1HD PRO 55 10.015 4.172 -4.296 416 H THR 56 H THR 56 11.824 2.995 -1.176 417 HA THR 56 HA THR 56 12.411 1.679 1.127 418 HB THR 56 HB THR 56 14.542 3.255 1.142 419 HG1 THR 56 1HG THR 56 13.381 4.764 -0.306 420 HG21 THR 56 3HG2 THR 56 15.059 2.086 -1.251 421 HG22 THR 56 1HG2 THR 56 13.750 1.078 -0.636 422 HG23 THR 56 2HG2 THR 56 15.216 1.296 0.318 423 H THR 57 H THR 57 11.929 5.308 0.878 424 HA THR 57 HA THR 57 12.588 6.031 3.435 425 HB THR 57 HB THR 57 11.879 7.598 1.664 426 HG1 THR 57 1HG THR 57 11.139 9.027 3.080 427 HG21 THR 57 3HG2 THR 57 9.034 7.419 2.301 428 HG22 THR 57 1HG2 THR 57 9.658 6.070 1.353 429 HG23 THR 57 2HG2 THR 57 9.843 7.722 0.763 430 H GLY 58 H GLY 58 9.751 4.259 2.380 431 HA2 GLY 58 2HA GLY 58 8.973 2.803 4.351 432 HA3 GLY 58 1HA GLY 58 8.738 4.345 5.142 433 H HIS 59 H HIS 59 7.632 2.604 2.131 434 HA HIS 59 HA HIS 59 5.318 4.320 2.037 435 HB2 HIS 59 2HB HIS 59 6.544 2.346 0.272 436 HB3 HIS 59 1HB HIS 59 4.793 2.179 0.342 437 HD1 HIS 59 1HD HIS 59 6.762 5.411 0.425 438 HD2 HIS 59 2HD HIS 59 4.049 3.396 -2.015 439 HE1 HIS 59 1HE HIS 59 6.174 7.024 -1.410 440 HE2 HIS 59 2HE HIS 59 4.543 5.781 -2.875 441 H ARG 60 H ARG 60 3.226 3.758 2.440 442 HA ARG 60 HA ARG 60 2.771 1.280 3.966 443 HB2 ARG 60 2HB ARG 60 1.320 2.718 5.489 444 HB3 ARG 60 1HB ARG 60 3.035 3.034 5.543 445 HG2 ARG 60 2HG ARG 60 2.405 4.831 3.709 446 HG3 ARG 60 1HG ARG 60 0.866 4.763 4.540 447 HD2 ARG 60 2HD ARG 60 3.410 5.040 6.083 448 HD3 ARG 60 1HD ARG 60 2.668 6.447 5.329 449 HE ARG 60 HE ARG 60 0.874 6.284 6.815 450 HH11 ARG 60 1HH1 ARG 60 3.192 3.720 7.351 451 HH12 ARG 60 2HH1 ARG 60 2.560 3.310 8.907 452 HH21 ARG 60 1HH2 ARG 60 0.051 5.740 8.863 453 HH22 ARG 60 2HH2 ARG 60 0.780 4.452 9.765 454 H LEU 61 H LEU 61 0.223 0.806 4.048 455 HA LEU 61 HA LEU 61 -0.909 1.513 1.427 456 HB2 LEU 61 2HB LEU 61 -0.808 -1.048 2.941 457 HB3 LEU 61 1HB LEU 61 -2.178 -0.767 1.900 458 HG LEU 61 HG LEU 61 0.014 -2.015 1.053 459 HD11 LEU 61 1HD1 LEU 61 -1.983 -0.358 -0.321 460 HD12 LEU 61 2HD1 LEU 61 -1.518 -2.041 -0.580 461 HD13 LEU 61 3HD1 LEU 61 -0.538 -0.742 -1.247 462 HD21 LEU 61 3HD2 LEU 61 1.376 0.016 1.578 463 HD22 LEU 61 1HD2 LEU 61 0.566 0.809 0.232 464 HD23 LEU 61 2HD2 LEU 61 1.547 -0.626 -0.055 465 H CYS 62 H CYS 62 -3.511 1.487 1.305 466 HA CYS 62 HA CYS 62 -4.456 2.548 3.839 467 HB2 CYS 62 2HB CYS 62 -5.914 4.041 2.644 468 HB3 CYS 62 1HB CYS 62 -4.334 4.111 1.948 469 H SER 63 H SER 63 -6.659 2.366 4.494 470 HA SER 63 HA SER 63 -7.414 0.192 5.531 471 HB2 SER 63 2HB SER 63 -8.628 2.660 4.861 472 HB3 SER 63 1HB SER 63 -9.854 1.418 4.688 473 HG SER 63 HG SER 63 -9.020 0.685 6.847 474 H VAL 64 H VAL 64 -9.663 1.019 3.129 475 HA VAL 64 HA VAL 64 -11.039 -1.289 2.960 476 HB VAL 64 HB VAL 64 -12.031 -0.309 0.880 477 HG11 VAL 64 1HG1 VAL 64 -12.523 0.287 3.369 478 HG12 VAL 64 2HG1 VAL 64 -13.136 1.347 2.100 479 HG13 VAL 64 3HG1 VAL 64 -11.678 1.792 2.993 480 HG21 VAL 64 3HG2 VAL 64 -11.235 1.841 0.159 481 HG22 VAL 64 1HG2 VAL 64 -9.886 0.705 0.123 482 HG23 VAL 64 2HG2 VAL 64 -10.023 1.868 1.445 483 H HIS 65 H HIS 65 -8.288 -2.127 2.287 484 HA HIS 65 HA HIS 65 -8.721 -3.204 -0.443 485 HB2 HIS 65 2HB HIS 65 -6.240 -3.791 1.081 486 HB3 HIS 65 1HB HIS 65 -6.480 -3.623 -0.651 487 HD1 HIS 65 1HD HIS 65 -8.097 -0.814 0.179 488 HD2 HIS 65 2HD HIS 65 -4.188 -1.953 0.669 489 HE1 HIS 65 1HE HIS 65 -6.860 1.304 0.567 490 H PHE 66 H PHE 66 -7.678 -4.606 2.760 491 HA PHE 66 HA PHE 66 -7.913 -7.219 1.808 492 HB2 PHE 66 2HB PHE 66 -8.178 -6.518 4.729 493 HB3 PHE 66 1HB PHE 66 -7.359 -7.894 3.995 494 HD1 PHE 66 1HD PHE 66 -7.098 -4.251 4.648 495 HD2 PHE 66 2HD PHE 66 -5.086 -7.785 3.375 496 HE1 PHE 66 1HE PHE 66 -4.943 -3.078 4.797 497 HE2 PHE 66 2HE PHE 66 -2.930 -6.622 3.535 498 HZ PHE 66 HZ PHE 66 -2.850 -4.253 4.229 499 H GLN 67 H GLN 67 -9.593 -8.858 2.960 500 HA GLN 67 HA GLN 67 -12.168 -7.535 2.734 501 HB2 GLN 67 2HB GLN 67 -12.433 -10.391 3.055 502 HB3 GLN 67 1HB GLN 67 -12.866 -9.390 1.677 503 HG2 GLN 67 2HG GLN 67 -10.165 -10.608 2.205 504 HG3 GLN 67 1HG GLN 67 -11.353 -11.172 1.032 505 HE21 GLN 67 1HE2 GLN 67 -8.608 -9.406 1.416 506 HE22 GLN 67 2HE2 GLN 67 -8.689 -8.428 -0.004 507 H GLY 68 H GLY 68 -13.779 -7.885 4.744 508 HA2 GLY 68 2HA GLY 68 -14.082 -8.009 7.017 509 HA3 GLY 68 1HA GLY 68 -13.208 -9.531 6.869 510 H GLY 69 H GLY 69 -12.631 -8.619 9.217 511 HA2 GLY 69 2HA GLY 69 -10.325 -6.797 8.976 512 HA3 GLY 69 1HA GLY 69 -11.246 -7.073 10.446 513 H ARG 70 H ARG 70 -8.341 -7.574 9.138 514 HA ARG 70 HA ARG 70 -6.831 -8.808 10.713 515 HB2 ARG 70 2HB ARG 70 -8.466 -10.424 11.501 516 HB3 ARG 70 1HB ARG 70 -8.657 -11.077 9.881 517 HG2 ARG 70 2HG ARG 70 -7.218 -12.629 10.615 518 HG3 ARG 70 1HG ARG 70 -5.997 -11.412 10.242 519 HD2 ARG 70 2HD ARG 70 -6.590 -10.617 12.704 520 HD3 ARG 70 1HD ARG 70 -7.054 -12.311 12.868 521 HE ARG 70 HE ARG 70 -4.415 -11.278 12.777 522 HH11 ARG 70 1HH1 ARG 70 -6.342 -14.006 11.769 523 HH12 ARG 70 2HH1 ARG 70 -5.005 -15.104 11.748 524 HH21 ARG 70 1HH2 ARG 70 -2.651 -12.719 12.747 525 HH22 ARG 70 2HH2 ARG 70 -2.908 -14.373 12.302 526 H LYS 71 H LYS 71 -8.209 -9.427 7.569 527 HA LYS 71 HA LYS 71 -7.263 -9.696 5.530 528 HB2 LYS 71 2HB LYS 71 -5.461 -8.422 5.185 529 HB3 LYS 71 1HB LYS 71 -5.441 -8.122 6.909 530 HG2 LYS 71 2HG LYS 71 -3.877 -10.000 7.193 531 HG3 LYS 71 1HG LYS 71 -3.876 -10.240 5.446 532 HD2 LYS 71 2HD LYS 71 -1.922 -8.967 6.161 533 HD3 LYS 71 1HD LYS 71 -2.968 -7.976 5.143 534 HE2 LYS 71 2HE LYS 71 -3.762 -7.695 7.883 535 HE3 LYS 71 1HE LYS 71 -2.019 -7.428 7.745 536 HZ1 LYS 71 3HZ LYS 71 -2.493 -5.825 5.958 537 HZ2 LYS 71 1HZ LYS 71 -3.164 -5.367 7.442 538 HZ3 LYS 71 2HZ LYS 71 -4.151 -6.023 6.236 539 H THR 72 H THR 72 -7.786 -11.837 5.319 540 HA THR 72 HA THR 72 -5.772 -13.684 4.898 541 HB THR 72 HB THR 72 -6.633 -15.192 6.980 542 HG1 THR 72 1HG THR 72 -6.233 -12.742 8.258 543 HG21 THR 72 3HG2 THR 72 -4.521 -13.718 8.067 544 HG22 THR 72 1HG2 THR 72 -4.259 -13.749 6.322 545 HG23 THR 72 2HG2 THR 72 -4.442 -15.262 7.215 546 H TYR 73 H TYR 73 -6.868 -16.098 5.363 547 HA TYR 73 HA TYR 73 -8.575 -17.552 4.890 548 HB2 TYR 73 2HB TYR 73 -10.039 -15.254 5.431 549 HB3 TYR 73 1HB TYR 73 -10.557 -15.705 3.811 550 HD1 TYR 73 1HD TYR 73 -10.341 -16.832 7.314 551 HD2 TYR 73 2HD TYR 73 -11.923 -17.631 3.448 552 HE1 TYR 73 1HE TYR 73 -11.834 -18.528 8.284 553 HE2 TYR 73 2HE TYR 73 -13.422 -19.329 4.406 554 HH TYR 73 HH TYR 73 -14.169 -19.560 7.550 555 H THR 74 H THR 74 -7.194 -15.264 2.829 556 HA THR 74 HA THR 74 -6.905 -16.945 0.662 557 HB THR 74 HB THR 74 -8.657 -15.210 -0.685 558 HG1 THR 74 1HG THR 74 -10.264 -16.471 1.204 559 HG21 THR 74 3HG2 THR 74 -8.248 -17.520 -1.325 560 HG22 THR 74 1HG2 THR 74 -9.974 -17.201 -1.162 561 HG23 THR 74 2HG2 THR 74 -9.117 -18.081 0.103 562 H VAL 75 H VAL 75 -7.309 -13.663 1.794 563 HA VAL 75 HA VAL 75 -5.556 -12.703 -0.341 564 HB VAL 75 HB VAL 75 -6.847 -10.777 1.521 565 HG11 VAL 75 1HG1 VAL 75 -5.420 -10.055 -0.346 566 HG12 VAL 75 2HG1 VAL 75 -7.082 -9.502 -0.551 567 HG13 VAL 75 3HG1 VAL 75 -6.493 -10.883 -1.477 568 HG21 VAL 75 3HG2 VAL 75 -8.795 -11.057 -0.358 569 HG22 VAL 75 1HG2 VAL 75 -8.861 -11.724 1.271 570 HG23 VAL 75 2HG2 VAL 75 -8.341 -12.736 -0.075 571 H ARG 76 H ARG 76 -3.476 -12.057 0.058 572 HA ARG 76 HA ARG 76 -2.786 -11.467 2.860 573 HB2 ARG 76 2HB ARG 76 -0.493 -12.355 2.336 574 HB3 ARG 76 1HB ARG 76 -1.758 -13.549 2.453 575 HG2 ARG 76 2HG ARG 76 -1.273 -14.319 0.444 576 HG3 ARG 76 1HG ARG 76 -1.568 -12.725 -0.263 577 HD2 ARG 76 2HD ARG 76 0.959 -14.083 0.390 578 HD3 ARG 76 1HD ARG 76 0.602 -12.896 -0.859 579 HE ARG 76 HE ARG 76 1.169 -11.190 0.612 580 HH11 ARG 76 1HH1 ARG 76 1.246 -14.275 2.247 581 HH12 ARG 76 2HH1 ARG 76 2.051 -13.650 3.646 582 HH21 ARG 76 1HH2 ARG 76 2.198 -10.366 2.462 583 HH22 ARG 76 2HH2 ARG 76 2.590 -11.432 3.770 584 H VAL 77 H VAL 77 -2.274 -10.646 -0.532 585 HA VAL 77 HA VAL 77 -0.672 -8.329 0.270 586 HB VAL 77 HB VAL 77 0.483 -8.503 -1.696 587 HG11 VAL 77 1HG1 VAL 77 0.944 -10.639 -2.270 588 HG12 VAL 77 2HG1 VAL 77 -0.755 -11.100 -2.379 589 HG13 VAL 77 3HG1 VAL 77 0.018 -10.950 -0.805 590 HG21 VAL 77 3HG2 VAL 77 -0.545 -8.970 -3.876 591 HG22 VAL 77 1HG2 VAL 77 -1.329 -7.637 -3.028 592 HG23 VAL 77 2HG2 VAL 77 -2.096 -9.223 -3.073 593 HA PRO 78 HA PRO 78 -4.385 -5.788 -0.133 594 HB2 PRO 78 2HB PRO 78 -2.257 -3.777 -0.687 595 HB3 PRO 78 1HB PRO 78 -3.666 -3.639 0.358 596 HG2 PRO 78 2HG PRO 78 -1.359 -4.067 1.486 597 HG3 PRO 78 1HG PRO 78 -2.707 -5.121 1.965 598 HD2 PRO 78 2HD PRO 78 -0.521 -5.655 -0.003 599 HD3 PRO 78 1HD PRO 78 -1.079 -6.695 1.326 600 H THR 79 H THR 79 -3.561 -7.098 -2.779 601 HA THR 79 HA THR 79 -4.048 -4.614 -4.259 602 HB THR 79 HB THR 79 -3.667 -7.170 -5.722 603 HG1 THR 79 1HG THR 79 -1.658 -7.442 -5.153 604 HG21 THR 79 3HG2 THR 79 -2.262 -4.572 -6.195 605 HG22 THR 79 1HG2 THR 79 -3.903 -4.863 -6.774 606 HG23 THR 79 2HG2 THR 79 -2.579 -5.887 -7.326 607 H ILE 80 H ILE 80 -6.068 -4.187 -4.299 608 HA ILE 80 HA ILE 80 -7.988 -6.203 -5.252 609 HB ILE 80 HB ILE 80 -8.093 -4.762 -2.753 610 HG12 ILE 80 2HG1 ILE 80 -10.483 -6.117 -2.942 611 HG13 ILE 80 1HG1 ILE 80 -9.459 -6.990 -4.083 612 HG21 ILE 80 1HG2 ILE 80 -10.518 -4.002 -2.975 613 HG22 ILE 80 2HG2 ILE 80 -10.214 -3.963 -4.711 614 HG23 ILE 80 3HG2 ILE 80 -9.261 -2.951 -3.623 615 HD11 ILE 80 3HD1 ILE 80 -8.497 -8.058 -2.405 616 HD12 ILE 80 1HD1 ILE 80 -9.570 -7.220 -1.279 617 HD13 ILE 80 2HD1 ILE 80 -7.994 -6.529 -1.683 618 H PHE 81 H PHE 81 -7.914 -5.459 -7.458 619 HA PHE 81 HA PHE 81 -9.219 -2.959 -7.944 620 HB2 PHE 81 2HB PHE 81 -6.499 -2.921 -9.189 621 HB3 PHE 81 1HB PHE 81 -7.537 -1.582 -8.740 622 HD1 PHE 81 2HD PHE 81 -7.810 -1.305 -6.059 623 HD2 PHE 81 1HD PHE 81 -4.529 -3.177 -8.033 624 HE1 PHE 81 2HE PHE 81 -6.420 -0.958 -4.074 625 HE2 PHE 81 1HE PHE 81 -3.117 -2.793 -6.039 626 HZ PHE 81 HZ PHE 81 -4.084 -1.707 -4.026 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 4.113 17.302 0.026 2 H2 GLY 1 2HT GLY 1 5.070 18.393 -0.842 3 H3 GLY 1 3HT GLY 1 3.844 18.966 0.173 4 HA2 GLY 1 1HA GLY 1 6.513 17.994 0.833 5 HA3 GLY 1 2HA GLY 1 5.591 19.303 1.557 6 H SER 2 H SER 2 3.210 17.537 1.834 7 HA SER 2 HA SER 2 3.648 16.676 4.467 8 HB2 SER 2 2HB SER 2 1.466 15.216 3.678 9 HB3 SER 2 1HB SER 2 1.405 16.888 4.234 10 HG SER 2 HG SER 2 1.045 15.853 1.712 11 HA PRO 3 HA PRO 3 5.249 12.586 4.098 12 HB2 PRO 3 2HB PRO 3 3.865 11.144 5.910 13 HB3 PRO 3 1HB PRO 3 5.007 12.408 6.382 14 HG2 PRO 3 2HG PRO 3 2.021 12.525 6.197 15 HG3 PRO 3 1HG PRO 3 3.089 13.167 7.458 16 HD2 PRO 3 2HD PRO 3 2.025 14.707 5.482 17 HD3 PRO 3 1HD PRO 3 3.587 15.056 6.249 18 H GLY 4 H GLY 4 3.720 12.886 1.906 19 HA2 GLY 4 2HA GLY 4 1.959 10.522 1.855 20 HA3 GLY 4 1HA GLY 4 1.814 11.899 0.764 21 H PHE 5 H PHE 5 1.875 9.621 -0.637 22 HA PHE 5 HA PHE 5 4.408 9.728 -1.981 23 HB2 PHE 5 2HB PHE 5 3.634 7.283 -0.413 24 HB3 PHE 5 1HB PHE 5 4.750 7.219 -1.764 25 HD1 PHE 5 1HD PHE 5 6.350 9.654 -1.357 26 HD2 PHE 5 2HD PHE 5 4.858 6.839 1.463 27 HE1 PHE 5 1HE PHE 5 8.189 10.223 0.176 28 HE2 PHE 5 2HE PHE 5 6.691 7.407 3.003 29 HZ PHE 5 HZ PHE 5 8.358 9.102 2.361 30 H THR 6 H THR 6 1.407 7.870 -1.668 31 HA THR 6 HA THR 6 -0.207 7.893 -3.511 32 HB THR 6 HB THR 6 2.249 7.272 -5.169 33 HG1 THR 6 1HG THR 6 2.199 9.397 -5.124 34 HG21 THR 6 3HG2 THR 6 0.502 7.616 -7.059 35 HG22 THR 6 1HG2 THR 6 -0.646 7.091 -5.827 36 HG23 THR 6 2HG2 THR 6 0.688 6.037 -6.296 37 H CYS 7 H CYS 7 -1.380 6.156 -2.921 38 HA CYS 7 HA CYS 7 -0.122 3.588 -2.432 39 HB2 CYS 7 2HB CYS 7 -1.835 4.170 -0.824 40 HB3 CYS 7 1HB CYS 7 -3.028 4.475 -2.075 41 H CYS 8 H CYS 8 -0.782 4.999 -5.225 42 HA CYS 8 HA CYS 8 -1.414 4.270 -7.304 43 HB2 CYS 8 2HB CYS 8 0.373 2.693 -7.008 44 HB3 CYS 8 1HB CYS 8 -0.596 1.682 -5.951 45 HG CYS 8 HG CYS 8 -0.303 0.998 -8.669 46 H VAL 9 H VAL 9 -3.206 4.597 -5.111 47 HA VAL 9 HA VAL 9 -5.280 2.656 -5.066 48 HB VAL 9 HB VAL 9 -5.034 3.903 -3.095 49 HG11 VAL 9 1HG1 VAL 9 -3.741 5.687 -3.369 50 HG12 VAL 9 2HG1 VAL 9 -5.272 6.558 -3.465 51 HG13 VAL 9 3HG1 VAL 9 -4.435 6.083 -4.940 52 HG21 VAL 9 3HG2 VAL 9 -7.000 5.377 -2.796 53 HG22 VAL 9 1HG2 VAL 9 -7.411 3.829 -3.535 54 HG23 VAL 9 2HG2 VAL 9 -7.309 5.270 -4.538 55 HA PRO 10 HA PRO 10 -7.074 4.453 -8.845 56 HB2 PRO 10 2HB PRO 10 -8.422 2.269 -9.622 57 HB3 PRO 10 1HB PRO 10 -6.670 2.379 -9.838 58 HG2 PRO 10 2HG PRO 10 -8.231 0.963 -7.710 59 HG3 PRO 10 1HG PRO 10 -6.809 0.405 -8.613 60 HD2 PRO 10 2HD PRO 10 -6.692 1.456 -6.084 61 HD3 PRO 10 1HD PRO 10 -5.354 1.520 -7.243 62 H GLY 11 H GLY 11 -8.478 2.722 -6.175 63 HA2 GLY 11 2HA GLY 11 -10.660 4.576 -6.014 64 HA3 GLY 11 1HA GLY 11 -11.153 2.953 -6.470 65 H CYS 12 H CYS 12 -8.438 2.670 -4.465 66 HA CYS 12 HA CYS 12 -10.158 1.767 -2.376 67 HB2 CYS 12 2HB CYS 12 -8.014 1.268 -1.093 68 HB3 CYS 12 1HB CYS 12 -8.326 0.350 -2.547 69 H TYR 13 H TYR 13 -10.926 2.762 -0.807 70 HA TYR 13 HA TYR 13 -11.573 4.876 0.052 71 HB2 TYR 13 2HB TYR 13 -10.836 2.821 1.518 72 HB3 TYR 13 1HB TYR 13 -9.700 4.011 2.123 73 HD1 TYR 13 1HD TYR 13 -13.081 4.963 0.991 74 HD2 TYR 13 2HD TYR 13 -10.645 4.025 4.352 75 HE1 TYR 13 1HE TYR 13 -14.812 5.844 2.490 76 HE2 TYR 13 2HE TYR 13 -12.371 4.905 5.855 77 HH TYR 13 HH TYR 13 -14.774 5.326 5.852 78 H ASN 14 H ASN 14 -8.126 4.605 0.759 79 HA ASN 14 HA ASN 14 -7.958 7.519 0.511 80 HB2 ASN 14 2HB ASN 14 -5.886 6.684 2.168 81 HB3 ASN 14 1HB ASN 14 -7.290 7.620 2.612 82 HD21 ASN 14 1HD2 ASN 14 -9.302 6.235 2.899 83 HD22 ASN 14 2HD2 ASN 14 -9.103 4.785 3.811 84 H ASN 15 H ASN 15 -5.725 8.445 -0.080 85 HA ASN 15 HA ASN 15 -4.370 6.497 -1.790 86 HB2 ASN 15 2HB ASN 15 -5.288 8.415 -3.022 87 HB3 ASN 15 1HB ASN 15 -4.431 9.525 -1.961 88 HD21 ASN 15 1HD2 ASN 15 -4.367 8.003 -4.895 89 HD22 ASN 15 2HD2 ASN 15 -2.684 8.155 -5.259 90 H SER 16 H SER 16 -1.789 6.831 -1.876 91 HA SER 16 HA SER 16 -0.910 7.046 0.812 92 HB2 SER 16 2HB SER 16 0.116 5.256 -0.462 93 HB3 SER 16 1HB SER 16 0.466 6.321 -1.781 94 HG SER 16 HG SER 16 1.672 6.346 0.772 95 H HIS 17 H HIS 17 -1.326 9.427 -1.630 96 HA HIS 17 HA HIS 17 0.285 11.281 -0.064 97 HB2 HIS 17 2HB HIS 17 1.805 11.844 -1.642 98 HB3 HIS 17 1HB HIS 17 1.460 10.249 -2.290 99 HD1 HIS 17 1HD HIS 17 -0.189 10.172 -4.374 100 HD2 HIS 17 2HD HIS 17 1.122 13.953 -3.260 101 HE1 HIS 17 1HE HIS 17 -0.704 11.665 -6.330 102 HE2 HIS 17 2HE HIS 17 -0.060 13.975 -5.560 103 H ARG 18 H ARG 18 -2.643 10.734 -1.501 104 HA ARG 18 HA ARG 18 -3.023 13.563 -2.217 105 HB2 ARG 18 2HB ARG 18 -3.585 11.778 -3.880 106 HB3 ARG 18 1HB ARG 18 -4.863 11.247 -2.797 107 HG2 ARG 18 2HG ARG 18 -5.319 13.966 -3.099 108 HG3 ARG 18 1HG ARG 18 -4.833 13.419 -4.703 109 HD2 ARG 18 2HD ARG 18 -6.569 11.449 -3.778 110 HD3 ARG 18 1HD ARG 18 -7.305 12.969 -3.270 111 HE ARG 18 HE ARG 18 -6.710 13.464 -5.841 112 HH11 ARG 18 1HH1 ARG 18 -8.328 10.773 -4.310 113 HH12 ARG 18 2HH1 ARG 18 -9.325 10.431 -5.683 114 HH21 ARG 18 1HH2 ARG 18 -8.027 13.012 -7.646 115 HH22 ARG 18 2HH2 ARG 18 -9.155 11.700 -7.575 116 H ASP 19 H ASP 19 -3.166 12.182 0.562 117 HA ASP 19 HA ASP 19 -5.297 13.788 1.559 118 HB2 ASP 19 2HB ASP 19 -5.732 10.850 1.946 119 HB3 ASP 19 1HB ASP 19 -6.797 12.181 2.356 120 H LYS 20 H LYS 20 -3.866 10.758 2.668 121 HA LYS 20 HA LYS 20 -2.623 10.248 4.491 122 HB2 LYS 20 2HB LYS 20 -0.845 11.564 4.882 123 HB3 LYS 20 1HB LYS 20 -1.461 12.495 3.528 124 HG2 LYS 20 2HG LYS 20 -2.792 13.755 5.416 125 HG3 LYS 20 1HG LYS 20 -1.510 13.110 6.439 126 HD2 LYS 20 2HD LYS 20 -0.918 15.332 5.647 127 HD3 LYS 20 1HD LYS 20 0.170 14.125 4.960 128 HE2 LYS 20 2HE LYS 20 -0.301 14.977 2.956 129 HE3 LYS 20 1HE LYS 20 -1.924 14.318 3.131 130 HZ1 LYS 20 3HZ LYS 20 -1.409 16.888 4.405 131 HZ2 LYS 20 1HZ LYS 20 -2.791 16.335 3.598 132 HZ3 LYS 20 2HZ LYS 20 -1.456 16.880 2.715 133 H ALA 21 H ALA 21 -5.487 11.578 4.639 134 HA ALA 21 HA ALA 21 -5.422 12.024 7.552 135 HB1 ALA 21 1HB ALA 21 -7.058 13.152 5.359 136 HB2 ALA 21 2HB ALA 21 -6.388 13.930 6.793 137 HB3 ALA 21 3HB ALA 21 -7.836 12.933 6.926 138 H LEU 22 H LEU 22 -5.745 9.364 5.893 139 HA LEU 22 HA LEU 22 -8.152 8.514 7.338 140 HB2 LEU 22 2HB LEU 22 -7.319 7.593 4.568 141 HB3 LEU 22 1HB LEU 22 -8.710 6.960 5.472 142 HG LEU 22 HG LEU 22 -9.414 8.540 3.805 143 HD11 LEU 22 1HD1 LEU 22 -10.221 10.339 5.710 144 HD12 LEU 22 2HD1 LEU 22 -9.870 8.901 6.665 145 HD13 LEU 22 3HD1 LEU 22 -11.026 8.815 5.334 146 HD21 LEU 22 3HD2 LEU 22 -7.134 9.901 4.353 147 HD22 LEU 22 1HD2 LEU 22 -8.371 10.912 5.107 148 HD23 LEU 22 2HD2 LEU 22 -8.503 10.489 3.403 149 H HIS 23 H HIS 23 -6.694 5.548 6.095 150 HA HIS 23 HA HIS 23 -5.209 5.388 8.594 151 HB2 HIS 23 2HB HIS 23 -7.542 4.050 7.998 152 HB3 HIS 23 1HB HIS 23 -6.316 2.864 7.571 153 HD1 HIS 23 1HD HIS 23 -8.313 3.805 10.326 154 HD2 HIS 23 2HD HIS 23 -4.340 2.666 9.906 155 HE1 HIS 23 1HE HIS 23 -7.591 3.033 12.608 156 HE2 HIS 23 2HE HIS 23 -5.227 2.224 12.295 157 H PHE 24 H PHE 24 -3.098 4.222 8.426 158 HA PHE 24 HA PHE 24 -2.544 3.220 5.739 159 HB2 PHE 24 2HB PHE 24 -0.710 4.915 7.422 160 HB3 PHE 24 1HB PHE 24 -0.245 4.121 5.928 161 HD1 PHE 24 2HD PHE 24 -2.445 6.718 7.364 162 HD2 PHE 24 1HD PHE 24 -0.802 5.048 3.809 163 HE1 PHE 24 2HE PHE 24 -3.261 8.644 6.062 164 HE2 PHE 24 1HE PHE 24 -1.604 6.959 2.526 165 HZ PHE 24 HZ PHE 24 -2.836 8.750 3.633 166 H TYR 25 H TYR 25 -1.764 1.007 5.778 167 HA TYR 25 HA TYR 25 -0.962 -0.084 8.330 168 HB2 TYR 25 2HB TYR 25 -1.233 -1.391 5.601 169 HB3 TYR 25 1HB TYR 25 -0.781 -2.245 7.071 170 HD1 TYR 25 1HD TYR 25 -3.480 0.133 6.018 171 HD2 TYR 25 2HD TYR 25 -2.455 -3.460 8.051 172 HE1 TYR 25 1HE TYR 25 -5.852 -0.241 6.538 173 HE2 TYR 25 2HE TYR 25 -4.824 -3.846 8.576 174 HH TYR 25 HH TYR 25 -6.900 -2.528 8.802 175 H THR 26 H THR 26 1.246 -1.242 8.548 176 HA THR 26 HA THR 26 3.194 0.249 6.941 177 HB THR 26 HB THR 26 4.409 0.540 8.813 178 HG1 THR 26 1HG THR 26 4.972 -1.201 10.192 179 HG21 THR 26 3HG2 THR 26 3.346 0.534 10.870 180 HG22 THR 26 1HG2 THR 26 2.366 -0.878 10.470 181 HG23 THR 26 2HG2 THR 26 2.017 0.679 9.718 182 H PHE 27 H PHE 27 5.433 -0.947 6.814 183 HA PHE 27 HA PHE 27 4.936 -3.217 5.196 184 HB2 PHE 27 2HB PHE 27 6.696 -1.120 5.306 185 HB3 PHE 27 1HB PHE 27 7.701 -2.535 5.438 186 HD1 PHE 27 1HD PHE 27 4.702 -3.080 3.620 187 HD2 PHE 27 2HD PHE 27 8.660 -1.573 3.261 188 HE1 PHE 27 1HE PHE 27 4.560 -3.310 1.196 189 HE2 PHE 27 2HE PHE 27 8.543 -1.839 0.828 190 HZ PHE 27 HZ PHE 27 6.473 -2.696 -0.219 191 HA PRO 28 HA PRO 28 5.978 -6.607 8.111 192 HB2 PRO 28 2HB PRO 28 7.065 -7.496 5.407 193 HB3 PRO 28 1HB PRO 28 6.355 -8.529 6.650 194 HG2 PRO 28 2HG PRO 28 4.804 -7.780 4.763 195 HG3 PRO 28 1HG PRO 28 4.232 -7.470 6.408 196 HD2 PRO 28 2HD PRO 28 5.367 -5.560 4.414 197 HD3 PRO 28 1HD PRO 28 4.054 -5.346 5.566 198 H LYS 29 H LYS 29 8.081 -7.906 8.640 199 HA LYS 29 HA LYS 29 10.290 -6.053 8.751 200 HB2 LYS 29 2HB LYS 29 11.302 -8.301 9.857 201 HB3 LYS 29 1HB LYS 29 10.356 -7.118 10.745 202 HG2 LYS 29 2HG LYS 29 8.453 -8.455 10.732 203 HG3 LYS 29 1HG LYS 29 9.040 -9.442 9.393 204 HD2 LYS 29 2HD LYS 29 10.513 -9.387 11.998 205 HD3 LYS 29 1HD LYS 29 9.089 -10.411 11.799 206 HE2 LYS 29 2HE LYS 29 10.583 -10.903 9.522 207 HE3 LYS 29 1HE LYS 29 11.796 -10.761 10.796 208 HZ1 LYS 29 3HZ LYS 29 10.954 -13.043 10.485 209 HZ2 LYS 29 1HZ LYS 29 9.410 -12.523 10.941 210 HZ3 LYS 29 2HZ LYS 29 10.687 -12.456 12.049 211 H ASP 30 H ASP 30 9.387 -8.817 6.916 212 HA ASP 30 HA ASP 30 12.051 -9.372 5.935 213 HB2 ASP 30 2HB ASP 30 9.976 -10.518 4.293 214 HB3 ASP 30 1HB ASP 30 11.118 -11.358 5.335 215 H ALA 31 H ALA 31 12.999 -8.025 4.469 216 HA ALA 31 HA ALA 31 11.844 -5.948 3.203 217 HB1 ALA 31 1HB ALA 31 13.811 -6.286 1.491 218 HB2 ALA 31 2HB ALA 31 14.307 -7.515 2.658 219 HB3 ALA 31 3HB ALA 31 14.102 -5.846 3.169 220 H GLU 32 H GLU 32 12.419 -9.071 1.403 221 HA GLU 32 HA GLU 32 11.082 -8.203 -0.902 222 HB2 GLU 32 2HB GLU 32 12.471 -10.149 -0.945 223 HB3 GLU 32 1HB GLU 32 11.482 -11.033 0.144 224 HG2 GLU 32 2HG GLU 32 10.131 -10.072 -2.281 225 HG3 GLU 32 1HG GLU 32 11.397 -11.272 -2.535 226 H LEU 33 H LEU 33 9.489 -10.317 1.644 227 HA LEU 33 HA LEU 33 7.075 -10.425 0.476 228 HB2 LEU 33 2HB LEU 33 7.681 -11.084 2.885 229 HB3 LEU 33 1HB LEU 33 7.332 -9.440 3.315 230 HG LEU 33 HG LEU 33 5.173 -9.841 3.448 231 HD11 LEU 33 1HD1 LEU 33 3.907 -11.075 1.633 232 HD12 LEU 33 2HD1 LEU 33 5.429 -11.145 0.754 233 HD13 LEU 33 3HD1 LEU 33 4.712 -9.587 1.149 234 HD21 LEU 33 3HD2 LEU 33 4.484 -12.292 3.346 235 HD22 LEU 33 1HD2 LEU 33 5.680 -11.799 4.540 236 HD23 LEU 33 2HD2 LEU 33 6.195 -12.603 3.058 237 H ARG 34 H ARG 34 8.549 -7.613 1.923 238 HA ARG 34 HA ARG 34 6.180 -6.010 1.594 239 HB2 ARG 34 2HB ARG 34 8.040 -4.110 1.899 240 HB3 ARG 34 1HB ARG 34 7.247 -4.922 3.228 241 HG2 ARG 34 2HG ARG 34 9.143 -5.869 3.912 242 HG3 ARG 34 1HG ARG 34 9.636 -6.240 2.274 243 HD2 ARG 34 2HD ARG 34 11.066 -4.543 2.284 244 HD3 ARG 34 1HD ARG 34 9.729 -3.431 2.548 245 HE ARG 34 HE ARG 34 10.617 -4.706 4.957 246 HH11 ARG 34 1HH1 ARG 34 11.204 -2.067 2.749 247 HH12 ARG 34 2HH1 ARG 34 11.983 -1.077 3.938 248 HH21 ARG 34 1HH2 ARG 34 11.644 -3.402 6.527 249 HH22 ARG 34 2HH2 ARG 34 12.232 -1.833 6.080 250 H ARG 35 H ARG 35 9.229 -6.270 -0.117 251 HA ARG 35 HA ARG 35 8.639 -4.283 -1.947 252 HB2 ARG 35 2HB ARG 35 10.347 -5.059 -3.307 253 HB3 ARG 35 1HB ARG 35 10.847 -5.611 -1.722 254 HG2 ARG 35 2HG ARG 35 11.297 -7.327 -3.289 255 HG3 ARG 35 1HG ARG 35 9.941 -7.867 -2.316 256 HD2 ARG 35 2HD ARG 35 8.497 -7.809 -4.066 257 HD3 ARG 35 1HD ARG 35 9.277 -6.406 -4.794 258 HE ARG 35 HE ARG 35 11.107 -8.314 -5.196 259 HH11 ARG 35 1HH1 ARG 35 7.662 -8.270 -5.767 260 HH12 ARG 35 2HH1 ARG 35 7.742 -9.389 -7.085 261 HH21 ARG 35 1HH2 ARG 35 11.211 -9.784 -6.927 262 HH22 ARG 35 2HH2 ARG 35 9.756 -10.250 -7.745 263 H LEU 36 H LEU 36 7.411 -7.607 -1.605 264 HA LEU 36 HA LEU 36 6.160 -7.570 -4.211 265 HB2 LEU 36 2HB LEU 36 5.273 -9.087 -1.744 266 HB3 LEU 36 1HB LEU 36 4.635 -9.296 -3.359 267 HG LEU 36 HG LEU 36 7.516 -9.587 -3.328 268 HD11 LEU 36 1HD1 LEU 36 5.956 -10.950 -1.245 269 HD12 LEU 36 2HD1 LEU 36 7.684 -10.613 -1.339 270 HD13 LEU 36 3HD1 LEU 36 7.006 -11.988 -2.208 271 HD21 LEU 36 3HD2 LEU 36 5.460 -10.389 -4.891 272 HD22 LEU 36 1HD2 LEU 36 5.764 -11.861 -3.967 273 HD23 LEU 36 2HD2 LEU 36 7.062 -11.123 -4.906 274 H TRP 37 H TRP 37 5.104 -6.524 -1.041 275 HA TRP 37 HA TRP 37 2.548 -5.703 -1.781 276 HB2 TRP 37 2HB TRP 37 4.517 -4.841 0.314 277 HB3 TRP 37 1HB TRP 37 2.998 -3.969 0.098 278 HD1 TRP 37 HD TRP 37 3.268 -7.748 -0.337 279 HE1 TRP 37 1HE TRP 37 1.821 -8.854 1.537 280 HE3 TRP 37 3HE TRP 37 2.136 -3.600 2.371 281 HZ2 TRP 37 2HZ TRP 37 0.407 -8.017 3.869 282 HZ3 TRP 37 3HZ TRP 37 0.767 -3.795 4.381 283 HH2 TRP 37 HH TRP 37 -0.092 -5.949 5.126 284 H LEU 38 H LEU 38 5.760 -4.031 -1.915 285 HA LEU 38 HA LEU 38 5.133 -1.487 -2.533 286 HB2 LEU 38 2HB LEU 38 7.196 -3.275 -3.849 287 HB3 LEU 38 1HB LEU 38 7.067 -1.579 -4.168 288 HG LEU 38 HG LEU 38 7.686 -2.845 -1.526 289 HD11 LEU 38 1HD1 LEU 38 9.812 -1.640 -1.769 290 HD12 LEU 38 2HD1 LEU 38 9.312 -1.111 -3.375 291 HD13 LEU 38 3HD1 LEU 38 9.564 -2.826 -3.051 292 HD21 LEU 38 3HD2 LEU 38 7.157 0.022 -2.256 293 HD22 LEU 38 1HD2 LEU 38 8.000 -0.464 -0.786 294 HD23 LEU 38 2HD2 LEU 38 6.329 -0.958 -1.049 295 H LYS 39 H LYS 39 5.143 -4.295 -4.865 296 HA LYS 39 HA LYS 39 4.457 -3.050 -7.143 297 HB2 LYS 39 2HB LYS 39 4.167 -5.713 -5.983 298 HB3 LYS 39 1HB LYS 39 3.059 -5.403 -7.291 299 HG2 LYS 39 2HG LYS 39 5.388 -6.460 -7.734 300 HG3 LYS 39 1HG LYS 39 4.716 -5.278 -8.858 301 HD2 LYS 39 2HD LYS 39 6.276 -4.057 -6.714 302 HD3 LYS 39 1HD LYS 39 7.213 -5.184 -7.692 303 HE2 LYS 39 2HE LYS 39 5.643 -2.800 -8.659 304 HE3 LYS 39 1HE LYS 39 7.394 -2.990 -8.654 305 HZ1 LYS 39 3HZ LYS 39 7.029 -3.608 -10.769 306 HZ2 LYS 39 1HZ LYS 39 5.420 -4.057 -10.496 307 HZ3 LYS 39 2HZ LYS 39 6.676 -5.113 -10.081 308 H ASN 40 H ASN 40 1.936 -4.516 -5.066 309 HA ASN 40 HA ASN 40 -0.107 -3.373 -6.655 310 HB2 ASN 40 2HB ASN 40 0.044 -5.132 -4.425 311 HB3 ASN 40 1HB ASN 40 -1.241 -3.993 -4.156 312 HD21 ASN 40 1HD2 ASN 40 -0.027 -6.623 -5.989 313 HD22 ASN 40 2HD2 ASN 40 -1.439 -6.945 -6.925 314 H VAL 41 H VAL 41 1.608 -2.105 -3.955 315 HA VAL 41 HA VAL 41 -0.410 -0.144 -3.429 316 HB VAL 41 HB VAL 41 1.541 -1.090 -1.808 317 HG11 VAL 41 1HG1 VAL 41 2.310 1.769 -2.384 318 HG12 VAL 41 2HG1 VAL 41 3.191 0.407 -3.061 319 HG13 VAL 41 3HG1 VAL 41 3.116 0.622 -1.313 320 HG21 VAL 41 3HG2 VAL 41 -0.306 -0.218 -0.788 321 HG22 VAL 41 1HG2 VAL 41 -0.339 1.201 -1.829 322 HG23 VAL 41 2HG2 VAL 41 0.820 1.113 -0.509 323 H SER 42 H SER 42 2.322 -0.190 -5.621 324 HA SER 42 HA SER 42 1.824 1.953 -7.078 325 HB2 SER 42 2HB SER 42 1.458 3.774 -5.695 326 HB3 SER 42 1HB SER 42 2.265 3.031 -4.295 327 HG SER 42 HG SER 42 3.859 4.284 -4.746 328 H ARG 43 H ARG 43 4.882 2.581 -5.151 329 HA ARG 43 HA ARG 43 7.038 2.271 -5.767 330 HB2 ARG 43 2HB ARG 43 6.408 -0.068 -5.310 331 HB3 ARG 43 1HB ARG 43 5.953 -0.267 -6.996 332 HG2 ARG 43 2HG ARG 43 8.193 -0.083 -7.724 333 HG3 ARG 43 1HG ARG 43 8.730 0.509 -6.152 334 HD2 ARG 43 2HD ARG 43 8.907 -1.562 -5.307 335 HD3 ARG 43 1HD ARG 43 7.399 -2.092 -6.049 336 HE ARG 43 HE ARG 43 9.115 -1.960 -8.140 337 HH11 ARG 43 1HH1 ARG 43 9.254 -3.527 -5.022 338 HH12 ARG 43 2HH1 ARG 43 10.228 -4.841 -5.586 339 HH21 ARG 43 1HH2 ARG 43 10.392 -3.694 -8.883 340 HH22 ARG 43 2HH2 ARG 43 10.874 -4.937 -7.779 341 H ALA 44 H ALA 44 5.905 4.043 -7.448 342 HA ALA 44 HA ALA 44 6.188 3.309 -10.214 343 HB1 ALA 44 1HB ALA 44 4.632 5.059 -9.481 344 HB2 ALA 44 2HB ALA 44 5.788 5.681 -10.660 345 HB3 ALA 44 3HB ALA 44 5.990 6.050 -8.946 346 H GLY 45 H GLY 45 8.612 2.393 -9.775 347 HA2 GLY 45 2HA GLY 45 10.568 3.481 -11.073 348 HA3 GLY 45 1HA GLY 45 10.489 4.651 -9.787 349 H VAL 46 H VAL 46 10.887 1.131 -10.251 350 HA VAL 46 HA VAL 46 11.941 0.689 -7.655 351 HB VAL 46 HB VAL 46 10.898 -1.098 -8.955 352 HG11 VAL 46 1HG1 VAL 46 13.322 -1.349 -10.677 353 HG12 VAL 46 2HG1 VAL 46 12.052 -0.212 -11.128 354 HG13 VAL 46 3HG1 VAL 46 11.680 -1.926 -10.952 355 HG21 VAL 46 3HG2 VAL 46 12.283 -2.811 -8.223 356 HG22 VAL 46 1HG2 VAL 46 12.780 -1.457 -7.210 357 HG23 VAL 46 2HG2 VAL 46 13.756 -1.924 -8.603 358 H SER 47 H SER 47 13.477 2.791 -8.245 359 HA SER 47 HA SER 47 16.135 1.621 -8.407 360 HB2 SER 47 2HB SER 47 16.882 2.658 -10.363 361 HB3 SER 47 1HB SER 47 15.249 2.170 -10.816 362 HG SER 47 HG SER 47 15.007 4.199 -11.299 363 H GLY 48 H GLY 48 14.466 4.975 -8.690 364 HA2 GLY 48 2HA GLY 48 14.578 6.426 -6.760 365 HA3 GLY 48 1HA GLY 48 16.129 5.706 -6.355 366 H CYS 49 H CYS 49 14.693 8.385 -7.601 367 HA CYS 49 HA CYS 49 17.204 9.246 -8.848 368 HB2 CYS 49 2HB CYS 49 14.512 9.911 -10.044 369 HB3 CYS 49 1HB CYS 49 16.103 10.215 -10.732 370 HG CYS 49 HG CYS 49 14.699 7.455 -10.670 371 H PHE 50 H PHE 50 16.674 9.892 -6.308 372 HA PHE 50 HA PHE 50 16.618 11.661 -4.870 373 HB2 PHE 50 2HB PHE 50 17.867 12.884 -6.599 374 HB3 PHE 50 1HB PHE 50 16.369 13.305 -7.422 375 HD1 PHE 50 1HD PHE 50 18.492 13.957 -4.519 376 HD2 PHE 50 2HD PHE 50 14.907 15.011 -6.554 377 HE1 PHE 50 1HE PHE 50 18.323 15.997 -3.154 378 HE2 PHE 50 2HE PHE 50 14.731 17.054 -5.192 379 HZ PHE 50 HZ PHE 50 16.441 17.548 -3.490 380 H SER 51 H SER 51 14.280 12.574 -7.569 381 HA SER 51 HA SER 51 12.343 13.411 -5.621 382 HB2 SER 51 2HB SER 51 12.791 14.036 -8.243 383 HB3 SER 51 1HB SER 51 11.426 12.929 -8.386 384 HG SER 51 HG SER 51 11.565 15.307 -6.848 385 H THR 52 H THR 52 10.005 12.385 -7.028 386 HA THR 52 HA THR 52 8.596 10.607 -7.071 387 HB THR 52 HB THR 52 9.389 8.504 -7.617 388 HG1 THR 52 1HG THR 52 10.544 7.604 -6.131 389 HG21 THR 52 3HG2 THR 52 10.851 8.841 -9.269 390 HG22 THR 52 1HG2 THR 52 12.088 9.458 -8.172 391 HG23 THR 52 2HG2 THR 52 10.824 10.534 -8.771 392 H PHE 53 H PHE 53 8.033 8.523 -5.575 393 HA PHE 53 HA PHE 53 8.352 9.484 -2.821 394 HB2 PHE 53 2HB PHE 53 6.364 7.907 -2.436 395 HB3 PHE 53 1HB PHE 53 6.032 9.377 -3.350 396 HD1 PHE 53 2HD PHE 53 6.799 5.776 -3.700 397 HD2 PHE 53 1HD PHE 53 5.119 9.244 -5.496 398 HE1 PHE 53 2HE PHE 53 5.899 4.392 -5.511 399 HE2 PHE 53 1HE PHE 53 4.211 7.863 -7.320 400 HZ PHE 53 HZ PHE 53 4.592 5.427 -7.317 401 H GLN 54 H GLN 54 10.428 7.993 -4.083 402 HA GLN 54 HA GLN 54 11.064 5.557 -4.095 403 HB2 GLN 54 2HB GLN 54 12.688 7.355 -3.573 404 HB3 GLN 54 1HB GLN 54 12.264 7.213 -1.875 405 HG2 GLN 54 2HG GLN 54 12.953 4.728 -2.187 406 HG3 GLN 54 1HG GLN 54 13.808 5.338 -3.603 407 HE21 GLN 54 1HE2 GLN 54 13.330 6.203 -0.189 408 HE22 GLN 54 2HE2 GLN 54 14.984 6.601 0.114 409 HA PRO 55 HA PRO 55 8.797 3.310 -0.915 410 HB2 PRO 55 2HB PRO 55 10.308 0.952 -1.724 411 HB3 PRO 55 1HB PRO 55 8.578 1.270 -1.837 412 HG2 PRO 55 2HG PRO 55 10.198 1.170 -4.013 413 HG3 PRO 55 1HG PRO 55 8.730 2.160 -3.938 414 HD2 PRO 55 2HD PRO 55 11.587 2.970 -3.670 415 HD3 PRO 55 1HD PRO 55 10.232 3.831 -4.433 416 H THR 56 H THR 56 12.289 3.100 -1.335 417 HA THR 56 HA THR 56 13.098 1.677 0.873 418 HB THR 56 HB THR 56 14.573 4.222 0.509 419 HG1 THR 56 1HG THR 56 14.209 2.437 -1.664 420 HG21 THR 56 3HG2 THR 56 16.371 2.949 0.836 421 HG22 THR 56 1HG2 THR 56 15.815 1.705 -0.283 422 HG23 THR 56 2HG2 THR 56 15.218 1.727 1.376 423 H THR 57 H THR 57 11.935 5.137 0.788 424 HA THR 57 HA THR 57 12.533 5.829 3.407 425 HB THR 57 HB THR 57 11.678 7.383 1.685 426 HG1 THR 57 1HG THR 57 10.279 7.231 4.134 427 HG21 THR 57 3HG2 THR 57 9.646 7.325 0.751 428 HG22 THR 57 1HG2 THR 57 8.863 6.809 2.245 429 HG23 THR 57 2HG2 THR 57 9.676 5.626 1.222 430 H GLY 58 H GLY 58 10.011 3.743 2.170 431 HA2 GLY 58 2HA GLY 58 9.288 2.083 3.943 432 HA3 GLY 58 1HA GLY 58 8.977 3.497 4.921 433 H HIS 59 H HIS 59 7.769 1.830 1.898 434 HA HIS 59 HA HIS 59 5.512 3.613 1.859 435 HB2 HIS 59 2HB HIS 59 6.610 1.610 0.072 436 HB3 HIS 59 1HB HIS 59 4.867 1.426 0.231 437 HD1 HIS 59 1HD HIS 59 6.886 4.624 0.150 438 HD2 HIS 59 2HD HIS 59 3.959 2.663 -2.093 439 HE1 HIS 59 1HE HIS 59 6.222 6.234 -1.654 440 HE2 HIS 59 2HE HIS 59 4.469 5.028 -3.001 441 H ARG 60 H ARG 60 3.552 3.303 2.546 442 HA ARG 60 HA ARG 60 2.948 0.941 4.221 443 HB2 ARG 60 2HB ARG 60 1.632 2.429 5.582 444 HB3 ARG 60 1HB ARG 60 3.166 3.215 5.308 445 HG2 ARG 60 2HG ARG 60 1.895 4.311 3.294 446 HG3 ARG 60 1HG ARG 60 0.485 3.931 4.280 447 HD2 ARG 60 2HD ARG 60 0.884 5.796 5.430 448 HD3 ARG 60 1HD ARG 60 2.344 5.030 6.048 449 HE ARG 60 HE ARG 60 2.730 6.230 3.480 450 HH11 ARG 60 1HH1 ARG 60 2.620 6.860 6.910 451 HH12 ARG 60 2HH1 ARG 60 3.616 8.273 6.808 452 HH21 ARG 60 1HH2 ARG 60 4.042 8.086 3.345 453 HH22 ARG 60 2HH2 ARG 60 4.424 8.970 4.784 454 H LEU 61 H LEU 61 0.369 0.564 4.237 455 HA LEU 61 HA LEU 61 -0.567 0.945 1.473 456 HB2 LEU 61 2HB LEU 61 -1.107 -1.290 3.442 457 HB3 LEU 61 1HB LEU 61 -2.012 -1.105 1.969 458 HG LEU 61 HG LEU 61 0.434 -2.432 2.381 459 HD11 LEU 61 1HD1 LEU 61 0.096 -3.405 0.310 460 HD12 LEU 61 2HD1 LEU 61 -0.867 -2.048 -0.258 461 HD13 LEU 61 3HD1 LEU 61 -1.506 -3.133 0.983 462 HD21 LEU 61 3HD2 LEU 61 1.485 -1.372 0.202 463 HD22 LEU 61 1HD2 LEU 61 1.866 -0.758 1.808 464 HD23 LEU 61 2HD2 LEU 61 0.674 0.053 0.828 465 H CYS 62 H CYS 62 -3.100 1.247 1.246 466 HA CYS 62 HA CYS 62 -4.024 2.589 3.642 467 HB2 CYS 62 2HB CYS 62 -4.701 4.368 2.407 468 HB3 CYS 62 1HB CYS 62 -3.452 3.739 1.366 469 H SER 63 H SER 63 -6.600 2.851 3.532 470 HA SER 63 HA SER 63 -7.615 0.936 4.865 471 HB2 SER 63 2HB SER 63 -8.621 3.218 3.472 472 HB3 SER 63 1HB SER 63 -9.853 1.965 3.459 473 HG SER 63 HG SER 63 -10.089 2.182 5.546 474 H VAL 64 H VAL 64 -9.519 1.183 2.130 475 HA VAL 64 HA VAL 64 -10.708 -1.274 2.420 476 HB VAL 64 HB VAL 64 -11.673 -0.937 0.143 477 HG11 VAL 64 1HG1 VAL 64 -11.790 0.884 2.462 478 HG12 VAL 64 2HG1 VAL 64 -13.076 -0.022 1.663 479 HG13 VAL 64 3HG1 VAL 64 -12.500 1.493 0.967 480 HG21 VAL 64 3HG2 VAL 64 -9.707 0.175 -0.799 481 HG22 VAL 64 1HG2 VAL 64 -9.982 1.548 0.278 482 HG23 VAL 64 2HG2 VAL 64 -11.171 1.142 -0.969 483 H HIS 65 H HIS 65 -7.722 -1.775 1.763 484 HA HIS 65 HA HIS 65 -8.145 -3.476 -0.584 485 HB2 HIS 65 2HB HIS 65 -5.504 -3.544 0.756 486 HB3 HIS 65 1HB HIS 65 -5.897 -3.512 -0.963 487 HD1 HIS 65 1HD HIS 65 -7.776 -0.848 -0.039 488 HD2 HIS 65 2HD HIS 65 -3.673 -1.412 -0.034 489 HE1 HIS 65 1HE HIS 65 -6.805 1.398 0.360 490 H PHE 66 H PHE 66 -6.904 -4.034 2.780 491 HA PHE 66 HA PHE 66 -6.983 -6.824 2.537 492 HB2 PHE 66 2HB PHE 66 -7.227 -5.172 5.074 493 HB3 PHE 66 1HB PHE 66 -6.634 -6.824 4.951 494 HD1 PHE 66 2HD PHE 66 -5.821 -3.273 4.414 495 HD2 PHE 66 1HD PHE 66 -4.450 -7.317 4.122 496 HE1 PHE 66 2HE PHE 66 -3.502 -2.486 4.132 497 HE2 PHE 66 1HE PHE 66 -2.142 -6.517 3.848 498 HZ PHE 66 HZ PHE 66 -1.665 -4.108 3.846 499 H GLN 67 H GLN 67 -8.617 -8.229 4.022 500 HA GLN 67 HA GLN 67 -11.283 -7.278 3.401 501 HB2 GLN 67 2HB GLN 67 -10.399 -9.630 2.970 502 HB3 GLN 67 1HB GLN 67 -10.546 -9.891 4.703 503 HG2 GLN 67 2HG GLN 67 -12.953 -8.779 3.505 504 HG3 GLN 67 1HG GLN 67 -12.493 -10.340 2.826 505 HE21 GLN 67 1HE2 GLN 67 -14.711 -9.435 4.639 506 HE22 GLN 67 2HE2 GLN 67 -14.640 -10.520 5.984 507 H GLY 68 H GLY 68 -12.098 -5.782 5.310 508 HA2 GLY 68 2HA GLY 68 -12.685 -5.367 7.470 509 HA3 GLY 68 1HA GLY 68 -12.421 -7.064 7.826 510 H GLY 69 H GLY 69 -9.932 -7.676 8.008 511 HA2 GLY 69 2HA GLY 69 -7.771 -6.271 8.329 512 HA3 GLY 69 1HA GLY 69 -8.702 -5.565 9.641 513 H ARG 70 H ARG 70 -6.205 -7.361 9.378 514 HA ARG 70 HA ARG 70 -5.631 -8.456 11.569 515 HB2 ARG 70 2HB ARG 70 -7.858 -9.227 12.132 516 HB3 ARG 70 1HB ARG 70 -7.926 -10.219 10.683 517 HG2 ARG 70 2HG ARG 70 -7.495 -11.458 12.809 518 HG3 ARG 70 1HG ARG 70 -6.302 -11.726 11.539 519 HD2 ARG 70 2HD ARG 70 -5.517 -11.293 13.980 520 HD3 ARG 70 1HD ARG 70 -4.666 -10.530 12.641 521 HE ARG 70 HE ARG 70 -6.783 -8.938 13.789 522 HH11 ARG 70 1HH1 ARG 70 -3.387 -9.743 13.903 523 HH12 ARG 70 2HH1 ARG 70 -2.932 -8.254 14.658 524 HH21 ARG 70 1HH2 ARG 70 -6.182 -6.978 14.784 525 HH22 ARG 70 2HH2 ARG 70 -4.516 -6.686 15.158 526 H LYS 71 H LYS 71 -6.323 -9.402 8.296 527 HA LYS 71 HA LYS 71 -5.102 -10.554 6.752 528 HB2 LYS 71 2HB LYS 71 -3.312 -9.068 7.870 529 HB3 LYS 71 1HB LYS 71 -2.786 -10.543 8.664 530 HG2 LYS 71 2HG LYS 71 -1.858 -11.379 6.788 531 HG3 LYS 71 1HG LYS 71 -3.108 -10.715 5.739 532 HD2 LYS 71 2HD LYS 71 -0.696 -9.775 5.590 533 HD3 LYS 71 1HD LYS 71 -2.057 -8.656 5.570 534 HE2 LYS 71 2HE LYS 71 -1.744 -8.217 7.955 535 HE3 LYS 71 1HE LYS 71 -0.404 -9.366 7.995 536 HZ1 LYS 71 3HZ LYS 71 -0.485 -6.647 6.980 537 HZ2 LYS 71 1HZ LYS 71 0.397 -7.748 6.046 538 HZ3 LYS 71 2HZ LYS 71 0.795 -7.507 7.672 539 H THR 72 H THR 72 -6.454 -12.388 7.144 540 HA THR 72 HA THR 72 -5.947 -14.372 9.052 541 HB THR 72 HB THR 72 -7.093 -15.813 7.091 542 HG1 THR 72 1HG THR 72 -8.413 -14.391 5.878 543 HG21 THR 72 3HG2 THR 72 -8.040 -14.349 9.315 544 HG22 THR 72 1HG2 THR 72 -8.784 -15.727 8.504 545 HG23 THR 72 2HG2 THR 72 -9.158 -14.086 7.976 546 H TYR 73 H TYR 73 -5.632 -16.773 7.897 547 HA TYR 73 HA TYR 73 -2.844 -16.676 7.032 548 HB2 TYR 73 2HB TYR 73 -3.757 -19.371 7.301 549 HB3 TYR 73 1HB TYR 73 -2.607 -18.500 8.305 550 HD1 TYR 73 2HD TYR 73 -6.147 -19.442 7.922 551 HD2 TYR 73 1HD TYR 73 -3.233 -17.671 10.465 552 HE1 TYR 73 2HE TYR 73 -7.731 -19.544 9.799 553 HE2 TYR 73 1HE TYR 73 -4.809 -17.769 12.351 554 HH TYR 73 HH TYR 73 -6.785 -18.978 13.038 555 H THR 74 H THR 74 -4.462 -15.764 5.074 556 HA THR 74 HA THR 74 -4.103 -17.790 3.020 557 HB THR 74 HB THR 74 -6.595 -16.678 2.374 558 HG1 THR 74 1HG THR 74 -7.757 -16.659 4.137 559 HG21 THR 74 3HG2 THR 74 -6.062 -18.919 1.792 560 HG22 THR 74 1HG2 THR 74 -7.472 -18.957 2.850 561 HG23 THR 74 2HG2 THR 74 -5.881 -19.376 3.485 562 H VAL 75 H VAL 75 -5.123 -14.482 3.794 563 HA VAL 75 HA VAL 75 -4.577 -13.512 1.132 564 HB VAL 75 HB VAL 75 -6.354 -12.569 2.597 565 HG11 VAL 75 1HG1 VAL 75 -4.586 -12.728 4.602 566 HG12 VAL 75 2HG1 VAL 75 -6.036 -11.724 4.643 567 HG13 VAL 75 3HG1 VAL 75 -4.478 -11.007 4.228 568 HG21 VAL 75 3HG2 VAL 75 -5.440 -11.126 0.803 569 HG22 VAL 75 1HG2 VAL 75 -4.296 -10.448 1.969 570 HG23 VAL 75 2HG2 VAL 75 -6.023 -10.223 2.192 571 H ARG 76 H ARG 76 -2.312 -13.908 0.710 572 HA ARG 76 HA ARG 76 -0.359 -12.998 2.623 573 HB2 ARG 76 2HB ARG 76 -0.364 -14.710 0.369 574 HB3 ARG 76 1HB ARG 76 0.765 -13.417 0.003 575 HG2 ARG 76 2HG ARG 76 1.965 -13.872 2.079 576 HG3 ARG 76 1HG ARG 76 0.823 -15.163 2.455 577 HD2 ARG 76 2HD ARG 76 2.990 -15.922 1.448 578 HD3 ARG 76 1HD ARG 76 1.541 -16.456 0.597 579 HE ARG 76 HE ARG 76 2.222 -15.259 -1.226 580 HH11 ARG 76 1HH1 ARG 76 3.978 -14.119 1.569 581 HH12 ARG 76 2HH1 ARG 76 5.019 -13.088 0.649 582 HH21 ARG 76 1HH2 ARG 76 3.590 -13.902 -2.435 583 HH22 ARG 76 2HH2 ARG 76 4.798 -12.963 -1.625 584 H VAL 77 H VAL 77 -1.372 -11.943 -0.645 585 HA VAL 77 HA VAL 77 -0.379 -9.273 0.083 586 HB VAL 77 HB VAL 77 1.113 -9.546 -1.597 587 HG11 VAL 77 1HG1 VAL 77 0.363 -11.064 -3.670 588 HG12 VAL 77 2HG1 VAL 77 -0.601 -11.799 -2.389 589 HG13 VAL 77 3HG1 VAL 77 1.154 -11.693 -2.224 590 HG21 VAL 77 3HG2 VAL 77 0.310 -8.801 -3.804 591 HG22 VAL 77 1HG2 VAL 77 -0.331 -7.819 -2.491 592 HG23 VAL 77 2HG2 VAL 77 -1.350 -9.031 -3.261 593 HA PRO 78 HA PRO 78 -4.709 -8.205 -0.408 594 HB2 PRO 78 2HB PRO 78 -3.531 -5.488 -0.565 595 HB3 PRO 78 1HB PRO 78 -4.817 -6.092 0.473 596 HG2 PRO 78 2HG PRO 78 -2.445 -5.647 1.504 597 HG3 PRO 78 1HG PRO 78 -3.283 -7.160 1.915 598 HD2 PRO 78 2HD PRO 78 -1.117 -6.696 -0.114 599 HD3 PRO 78 1HD PRO 78 -1.231 -7.958 1.134 600 H THR 79 H THR 79 -4.544 -9.120 -2.899 601 HA THR 79 HA THR 79 -4.420 -6.601 -4.424 602 HB THR 79 HB THR 79 -3.496 -7.775 -6.137 603 HG1 THR 79 1HG THR 79 -5.586 -9.676 -5.897 604 HG21 THR 79 3HG2 THR 79 -3.601 -9.973 -4.137 605 HG22 THR 79 1HG2 THR 79 -2.219 -9.181 -4.892 606 HG23 THR 79 2HG2 THR 79 -3.182 -10.335 -5.809 607 H ILE 80 H ILE 80 -6.105 -5.687 -4.228 608 HA ILE 80 HA ILE 80 -8.680 -6.761 -5.102 609 HB ILE 80 HB ILE 80 -7.996 -5.076 -2.701 610 HG12 ILE 80 2HG1 ILE 80 -10.167 -6.528 -2.024 611 HG13 ILE 80 1HG1 ILE 80 -9.496 -7.547 -3.292 612 HG21 ILE 80 1HG2 ILE 80 -10.083 -4.059 -2.492 613 HG22 ILE 80 2HG2 ILE 80 -10.801 -5.041 -3.763 614 HG23 ILE 80 3HG2 ILE 80 -9.644 -3.778 -4.168 615 HD11 ILE 80 3HD1 ILE 80 -8.774 -7.527 -0.633 616 HD12 ILE 80 1HD1 ILE 80 -7.469 -6.648 -1.433 617 HD13 ILE 80 2HD1 ILE 80 -7.884 -8.280 -1.959 618 H PHE 81 H PHE 81 -9.652 -5.155 -6.689 619 HA PHE 81 HA PHE 81 -9.557 -3.365 -8.123 620 HB2 PHE 81 2HB PHE 81 -8.106 -1.344 -7.464 621 HB3 PHE 81 1HB PHE 81 -9.422 -1.752 -6.375 622 HD1 PHE 81 1HD PHE 81 -5.719 -2.093 -6.816 623 HD2 PHE 81 2HD PHE 81 -9.005 -2.125 -4.097 624 HE1 PHE 81 1HE PHE 81 -4.157 -2.273 -4.924 625 HE2 PHE 81 2HE PHE 81 -7.444 -2.310 -2.209 626 HZ PHE 81 HZ PHE 81 -5.011 -2.413 -2.609 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 8.927 14.624 -4.174 2 H2 GLY 1 2HT GLY 1 7.365 15.226 -4.415 3 H3 GLY 1 3HT GLY 1 7.696 14.248 -3.074 4 HA2 GLY 1 1HA GLY 1 9.484 16.202 -2.706 5 HA3 GLY 1 2HA GLY 1 8.168 17.080 -3.471 6 H SER 2 H SER 2 5.990 16.768 -2.501 7 HA SER 2 HA SER 2 6.001 17.411 0.214 8 HB2 SER 2 2HB SER 2 3.788 17.798 -0.091 9 HB3 SER 2 1HB SER 2 4.138 17.488 -1.789 10 HG SER 2 HG SER 2 2.744 15.966 0.033 11 HA PRO 3 HA PRO 3 5.979 13.602 2.436 12 HB2 PRO 3 2HB PRO 3 3.954 13.846 4.225 13 HB3 PRO 3 1HB PRO 3 5.463 14.760 4.352 14 HG2 PRO 3 2HG PRO 3 2.809 15.625 3.272 15 HG3 PRO 3 1HG PRO 3 3.928 16.507 4.326 16 HD2 PRO 3 2HD PRO 3 3.764 16.966 1.663 17 HD3 PRO 3 1HD PRO 3 5.279 17.144 2.571 18 H GLY 4 H GLY 4 4.914 12.997 0.051 19 HA2 GLY 4 2HA GLY 4 2.521 11.410 0.732 20 HA3 GLY 4 1HA GLY 4 2.723 12.194 -0.831 21 H PHE 5 H PHE 5 2.242 9.622 -1.228 22 HA PHE 5 HA PHE 5 4.810 8.505 -1.994 23 HB2 PHE 5 2HB PHE 5 2.947 7.010 -0.147 24 HB3 PHE 5 1HB PHE 5 4.438 6.388 -0.828 25 HD1 PHE 5 2HD PHE 5 6.594 7.746 -0.277 26 HD2 PHE 5 1HD PHE 5 2.961 7.999 1.924 27 HE1 PHE 5 2HE PHE 5 7.830 8.636 1.655 28 HE2 PHE 5 1HE PHE 5 4.191 8.888 3.862 29 HZ PHE 5 HZ PHE 5 6.628 9.208 3.729 30 H THR 6 H THR 6 1.304 8.111 -1.955 31 HA THR 6 HA THR 6 -0.154 7.598 -3.656 32 HB THR 6 HB THR 6 0.506 7.212 -5.854 33 HG1 THR 6 1HG THR 6 1.767 5.437 -5.712 34 HG21 THR 6 3HG2 THR 6 1.694 9.023 -6.318 35 HG22 THR 6 1HG2 THR 6 3.100 8.432 -5.434 36 HG23 THR 6 2HG2 THR 6 1.804 9.263 -4.576 37 H CYS 7 H CYS 7 -1.344 5.912 -2.866 38 HA CYS 7 HA CYS 7 -0.108 3.344 -2.330 39 HB2 CYS 7 2HB CYS 7 -1.772 3.182 -0.807 40 HB3 CYS 7 1HB CYS 7 -2.572 4.621 -1.413 41 H CYS 8 H CYS 8 -0.898 4.821 -5.091 42 HA CYS 8 HA CYS 8 -1.433 4.135 -7.189 43 HB2 CYS 8 2HB CYS 8 0.283 2.529 -7.030 44 HB3 CYS 8 1HB CYS 8 -0.601 1.542 -5.878 45 HG CYS 8 HG CYS 8 -0.681 1.257 -8.875 46 H VAL 9 H VAL 9 -3.279 4.663 -5.287 47 HA VAL 9 HA VAL 9 -5.401 2.789 -5.087 48 HB VAL 9 HB VAL 9 -5.278 4.282 -3.313 49 HG11 VAL 9 1HG1 VAL 9 -5.274 6.849 -3.906 50 HG12 VAL 9 2HG1 VAL 9 -4.544 6.244 -5.392 51 HG13 VAL 9 3HG1 VAL 9 -3.794 5.896 -3.836 52 HG21 VAL 9 3HG2 VAL 9 -7.262 5.824 -4.957 53 HG22 VAL 9 1HG2 VAL 9 -7.241 5.560 -3.207 54 HG23 VAL 9 2HG2 VAL 9 -7.614 4.223 -4.308 55 HA PRO 10 HA PRO 10 -6.937 3.993 -9.206 56 HB2 PRO 10 2HB PRO 10 -8.364 1.753 -9.633 57 HB3 PRO 10 1HB PRO 10 -6.606 1.776 -9.825 58 HG2 PRO 10 2HG PRO 10 -8.244 0.796 -7.512 59 HG3 PRO 10 1HG PRO 10 -6.837 0.045 -8.286 60 HD2 PRO 10 2HD PRO 10 -6.658 1.472 -5.971 61 HD3 PRO 10 1HD PRO 10 -5.347 1.361 -7.157 62 H GLY 11 H GLY 11 -8.728 2.463 -6.585 63 HA2 GLY 11 2HA GLY 11 -10.724 4.545 -6.626 64 HA3 GLY 11 1HA GLY 11 -11.320 2.965 -7.114 65 H CYS 12 H CYS 12 -8.752 2.894 -4.827 66 HA CYS 12 HA CYS 12 -10.349 1.606 -2.912 67 HB2 CYS 12 2HB CYS 12 -8.422 1.322 -1.649 68 HB3 CYS 12 1HB CYS 12 -7.754 1.513 -3.258 69 H TYR 13 H TYR 13 -9.391 2.964 -0.477 70 HA TYR 13 HA TYR 13 -11.493 4.937 -0.306 71 HB2 TYR 13 2HB TYR 13 -10.707 3.029 1.383 72 HB3 TYR 13 1HB TYR 13 -9.809 4.392 2.029 73 HD1 TYR 13 1HD TYR 13 -12.226 6.281 0.940 74 HD2 TYR 13 2HD TYR 13 -11.882 2.972 3.595 75 HE1 TYR 13 1HE TYR 13 -14.234 7.041 2.138 76 HE2 TYR 13 2HE TYR 13 -13.890 3.722 4.796 77 HH TYR 13 HH TYR 13 -15.118 5.895 5.151 78 H ASN 14 H ASN 14 -8.130 4.712 0.271 79 HA ASN 14 HA ASN 14 -7.822 7.608 0.429 80 HB2 ASN 14 2HB ASN 14 -5.707 6.403 1.768 81 HB3 ASN 14 1HB ASN 14 -7.017 7.313 2.469 82 HD21 ASN 14 1HD2 ASN 14 -7.084 4.146 0.913 83 HD22 ASN 14 2HD2 ASN 14 -7.669 3.298 2.272 84 H ASN 15 H ASN 15 -5.612 8.507 -0.224 85 HA ASN 15 HA ASN 15 -4.331 6.700 -2.150 86 HB2 ASN 15 2HB ASN 15 -3.636 9.582 -2.265 87 HB3 ASN 15 1HB ASN 15 -3.937 8.457 -3.582 88 HD21 ASN 15 1HD2 ASN 15 -6.518 7.625 -2.761 89 HD22 ASN 15 2HD2 ASN 15 -7.598 8.948 -2.996 90 H SER 16 H SER 16 -1.720 7.115 -2.223 91 HA SER 16 HA SER 16 -0.967 7.319 0.576 92 HB2 SER 16 2HB SER 16 -0.366 5.204 -0.850 93 HB3 SER 16 1HB SER 16 0.834 6.194 -1.610 94 HG SER 16 HG SER 16 1.874 5.305 0.066 95 H HIS 17 H HIS 17 -1.311 9.652 -1.541 96 HA HIS 17 HA HIS 17 0.961 11.118 -0.537 97 HB2 HIS 17 2HB HIS 17 2.114 11.542 -2.493 98 HB3 HIS 17 1HB HIS 17 1.620 9.882 -2.778 99 HD1 HIS 17 1HD HIS 17 -0.919 9.873 -4.095 100 HD2 HIS 17 2HD HIS 17 1.678 13.068 -4.658 101 HE1 HIS 17 1HE HIS 17 -1.656 10.969 -6.234 102 HE2 HIS 17 2HE HIS 17 -0.022 12.852 -6.596 103 H ARG 18 H ARG 18 -2.130 11.215 -0.719 104 HA ARG 18 HA ARG 18 -2.243 13.915 -1.856 105 HB2 ARG 18 2HB ARG 18 -3.762 12.818 -3.132 106 HB3 ARG 18 1HB ARG 18 -4.204 11.672 -1.879 107 HG2 ARG 18 2HG ARG 18 -5.971 12.912 -1.267 108 HG3 ARG 18 1HG ARG 18 -5.026 14.404 -1.250 109 HD2 ARG 18 2HD ARG 18 -5.465 13.372 -3.930 110 HD3 ARG 18 1HD ARG 18 -6.975 13.711 -3.082 111 HE ARG 18 HE ARG 18 -5.196 15.879 -2.774 112 HH11 ARG 18 1HH1 ARG 18 -7.212 14.347 -5.177 113 HH12 ARG 18 2HH1 ARG 18 -7.470 15.805 -6.073 114 HH21 ARG 18 1HH2 ARG 18 -5.534 17.799 -3.953 115 HH22 ARG 18 2HH2 ARG 18 -6.516 17.765 -5.378 116 H ASP 19 H ASP 19 -4.301 12.334 0.694 117 HA ASP 19 HA ASP 19 -4.222 14.842 2.123 118 HB2 ASP 19 2HB ASP 19 -5.926 12.472 2.152 119 HB3 ASP 19 1HB ASP 19 -5.753 13.303 3.690 120 H LYS 20 H LYS 20 -2.918 11.615 2.687 121 HA LYS 20 HA LYS 20 -1.638 10.769 4.317 122 HB2 LYS 20 2HB LYS 20 0.186 12.052 4.006 123 HB3 LYS 20 1HB LYS 20 -0.744 13.534 3.916 124 HG2 LYS 20 2HG LYS 20 0.722 13.779 5.734 125 HG3 LYS 20 1HG LYS 20 -0.859 13.458 6.446 126 HD2 LYS 20 2HD LYS 20 0.254 11.912 7.650 127 HD3 LYS 20 1HD LYS 20 0.127 10.936 6.186 128 HE2 LYS 20 2HE LYS 20 2.333 10.959 5.897 129 HE3 LYS 20 1HE LYS 20 2.392 12.715 6.043 130 HZ1 LYS 20 3HZ LYS 20 3.494 11.014 7.792 131 HZ2 LYS 20 1HZ LYS 20 2.000 11.301 8.535 132 HZ3 LYS 20 2HZ LYS 20 3.029 12.594 8.174 133 H ALA 21 H ALA 21 -4.396 12.205 4.858 134 HA ALA 21 HA ALA 21 -4.187 12.089 7.803 135 HB1 ALA 21 1HB ALA 21 -6.468 13.376 7.570 136 HB2 ALA 21 2HB ALA 21 -5.812 13.806 5.990 137 HB3 ALA 21 3HB ALA 21 -4.930 14.231 7.458 138 H LEU 22 H LEU 22 -4.588 9.875 5.857 139 HA LEU 22 HA LEU 22 -7.251 8.917 6.658 140 HB2 LEU 22 2HB LEU 22 -5.720 7.637 4.425 141 HB3 LEU 22 1HB LEU 22 -7.454 7.908 4.575 142 HG LEU 22 HG LEU 22 -5.836 10.343 4.247 143 HD11 LEU 22 1HD1 LEU 22 -6.304 9.170 1.657 144 HD12 LEU 22 2HD1 LEU 22 -5.208 8.176 2.615 145 HD13 LEU 22 3HD1 LEU 22 -4.831 9.870 2.326 146 HD21 LEU 22 3HD2 LEU 22 -7.918 11.040 3.888 147 HD22 LEU 22 1HD2 LEU 22 -8.523 9.386 3.831 148 HD23 LEU 22 2HD2 LEU 22 -7.899 10.146 2.366 149 H HIS 23 H HIS 23 -6.778 6.054 6.281 150 HA HIS 23 HA HIS 23 -5.010 5.619 8.538 151 HB2 HIS 23 2HB HIS 23 -7.496 4.603 7.787 152 HB3 HIS 23 1HB HIS 23 -6.389 3.272 7.479 153 HD1 HIS 23 1HD HIS 23 -5.903 5.675 10.332 154 HD2 HIS 23 2HD HIS 23 -7.172 1.774 9.675 155 HE1 HIS 23 1HE HIS 23 -6.070 4.630 12.613 156 HE2 HIS 23 2HE HIS 23 -6.941 2.302 12.196 157 H PHE 24 H PHE 24 -2.932 4.491 8.227 158 HA PHE 24 HA PHE 24 -2.588 3.281 5.599 159 HB2 PHE 24 2HB PHE 24 -0.599 4.996 7.072 160 HB3 PHE 24 1HB PHE 24 -0.282 4.152 5.563 161 HD1 PHE 24 2HD PHE 24 -2.848 6.479 6.971 162 HD2 PHE 24 1HD PHE 24 -0.428 5.451 3.610 163 HE1 PHE 24 2HE PHE 24 -3.751 8.384 5.709 164 HE2 PHE 24 1HE PHE 24 -1.334 7.344 2.372 165 HZ PHE 24 HZ PHE 24 -2.997 8.818 3.400 166 H TYR 25 H TYR 25 -1.705 1.095 5.648 167 HA TYR 25 HA TYR 25 -0.968 0.005 8.222 168 HB2 TYR 25 2HB TYR 25 -1.167 -1.287 5.473 169 HB3 TYR 25 1HB TYR 25 -0.685 -2.148 6.918 170 HD1 TYR 25 1HD TYR 25 -3.470 0.257 6.194 171 HD2 TYR 25 2HD TYR 25 -2.313 -3.596 7.581 172 HE1 TYR 25 1HE TYR 25 -5.825 -0.268 6.676 173 HE2 TYR 25 2HE TYR 25 -4.659 -4.141 8.072 174 HH TYR 25 HH TYR 25 -6.924 -3.384 7.300 175 H THR 26 H THR 26 1.228 -1.147 8.518 176 HA THR 26 HA THR 26 3.250 0.256 6.909 177 HB THR 26 HB THR 26 4.489 0.519 8.791 178 HG1 THR 26 1HG THR 26 5.355 -1.322 9.296 179 HG21 THR 26 3HG2 THR 26 3.380 0.648 10.854 180 HG22 THR 26 1HG2 THR 26 2.206 -0.586 10.390 181 HG23 THR 26 2HG2 THR 26 2.162 1.006 9.628 182 H PHE 27 H PHE 27 5.450 -1.086 6.855 183 HA PHE 27 HA PHE 27 4.747 -3.362 5.335 184 HB2 PHE 27 2HB PHE 27 6.891 -1.510 5.483 185 HB3 PHE 27 1HB PHE 27 7.457 -3.124 5.132 186 HD1 PHE 27 1HD PHE 27 4.155 -2.010 4.076 187 HD2 PHE 27 2HD PHE 27 8.227 -2.472 2.941 188 HE1 PHE 27 1HE PHE 27 3.537 -1.732 1.731 189 HE2 PHE 27 2HE PHE 27 7.614 -2.219 0.612 190 HZ PHE 27 HZ PHE 27 5.242 -1.841 -0.026 191 HA PRO 28 HA PRO 28 5.842 -6.907 7.980 192 HB2 PRO 28 2HB PRO 28 7.064 -7.631 5.292 193 HB3 PRO 28 1HB PRO 28 6.259 -8.717 6.420 194 HG2 PRO 28 2HG PRO 28 4.915 -7.793 4.399 195 HG3 PRO 28 1HG PRO 28 4.155 -7.744 5.994 196 HD2 PRO 28 2HD PRO 28 5.261 -5.546 4.347 197 HD3 PRO 28 1HD PRO 28 3.940 -5.546 5.506 198 H LYS 29 H LYS 29 7.983 -8.195 8.450 199 HA LYS 29 HA LYS 29 10.164 -6.280 8.606 200 HB2 LYS 29 2HB LYS 29 10.695 -8.946 9.691 201 HB3 LYS 29 1HB LYS 29 10.824 -7.374 10.460 202 HG2 LYS 29 2HG LYS 29 8.411 -7.384 10.878 203 HG3 LYS 29 1HG LYS 29 8.295 -8.972 10.117 204 HD2 LYS 29 2HD LYS 29 10.295 -9.314 11.982 205 HD3 LYS 29 1HD LYS 29 9.157 -8.245 12.804 206 HE2 LYS 29 2HE LYS 29 8.761 -10.707 13.135 207 HE3 LYS 29 1HE LYS 29 7.378 -9.791 12.536 208 HZ1 LYS 29 3HZ LYS 29 9.163 -11.069 10.590 209 HZ2 LYS 29 1HZ LYS 29 7.501 -10.763 10.490 210 HZ3 LYS 29 2HZ LYS 29 8.071 -12.041 11.440 211 H ASP 30 H ASP 30 9.256 -8.992 6.736 212 HA ASP 30 HA ASP 30 11.940 -9.696 5.902 213 HB2 ASP 30 2HB ASP 30 9.926 -10.721 4.136 214 HB3 ASP 30 1HB ASP 30 10.929 -11.624 5.260 215 H ALA 31 H ALA 31 13.054 -8.412 4.493 216 HA ALA 31 HA ALA 31 12.137 -6.260 3.169 217 HB1 ALA 31 1HB ALA 31 14.124 -6.834 1.516 218 HB2 ALA 31 2HB ALA 31 14.472 -8.037 2.763 219 HB3 ALA 31 3HB ALA 31 14.380 -6.334 3.182 220 H GLU 32 H GLU 32 12.620 -9.349 1.234 221 HA GLU 32 HA GLU 32 11.336 -8.393 -1.060 222 HB2 GLU 32 2HB GLU 32 12.514 -10.416 -1.224 223 HB3 GLU 32 1HB GLU 32 11.646 -11.215 0.025 224 HG2 GLU 32 2HG GLU 32 10.320 -10.352 -2.525 225 HG3 GLU 32 1HG GLU 32 11.186 -11.881 -2.394 226 H LEU 33 H LEU 33 9.524 -10.491 1.359 227 HA LEU 33 HA LEU 33 7.130 -10.279 0.175 228 HB2 LEU 33 2HB LEU 33 7.746 -11.094 2.579 229 HB3 LEU 33 1HB LEU 33 7.367 -9.470 3.066 230 HG LEU 33 HG LEU 33 5.240 -9.975 3.221 231 HD11 LEU 33 1HD1 LEU 33 3.909 -10.745 1.280 232 HD12 LEU 33 2HD1 LEU 33 5.404 -10.958 0.374 233 HD13 LEU 33 3HD1 LEU 33 4.921 -9.352 0.914 234 HD21 LEU 33 3HD2 LEU 33 6.293 -12.633 2.421 235 HD22 LEU 33 1HD2 LEU 33 4.560 -12.401 2.635 236 HD23 LEU 33 2HD2 LEU 33 5.659 -12.096 3.976 237 H ARG 34 H ARG 34 8.870 -7.779 1.765 238 HA ARG 34 HA ARG 34 6.956 -5.737 1.797 239 HB2 ARG 34 2HB ARG 34 8.565 -4.375 2.644 240 HB3 ARG 34 1HB ARG 34 9.404 -5.893 2.870 241 HG2 ARG 34 2HG ARG 34 11.110 -4.907 1.844 242 HG3 ARG 34 1HG ARG 34 10.208 -5.100 0.352 243 HD2 ARG 34 2HD ARG 34 10.534 -2.883 0.213 244 HD3 ARG 34 1HD ARG 34 9.108 -2.840 1.238 245 HE ARG 34 HE ARG 34 10.392 -1.990 2.915 246 HH11 ARG 34 1HH1 ARG 34 12.488 -3.554 0.603 247 HH12 ARG 34 2HH1 ARG 34 13.944 -3.035 1.385 248 HH21 ARG 34 1HH2 ARG 34 12.306 -1.307 3.943 249 HH22 ARG 34 2HH2 ARG 34 13.842 -1.762 3.282 250 H ARG 35 H ARG 35 9.587 -6.221 -0.511 251 HA ARG 35 HA ARG 35 8.741 -4.213 -2.226 252 HB2 ARG 35 2HB ARG 35 10.180 -5.068 -3.877 253 HB3 ARG 35 1HB ARG 35 10.958 -5.420 -2.349 254 HG2 ARG 35 2HG ARG 35 11.275 -7.281 -3.758 255 HG3 ARG 35 1HG ARG 35 10.099 -7.768 -2.552 256 HD2 ARG 35 2HD ARG 35 8.590 -8.224 -4.135 257 HD3 ARG 35 1HD ARG 35 8.788 -6.624 -4.851 258 HE ARG 35 HE ARG 35 10.878 -8.513 -5.488 259 HH11 ARG 35 1HH1 ARG 35 7.789 -7.185 -6.434 260 HH12 ARG 35 2HH1 ARG 35 7.971 -7.626 -8.099 261 HH21 ARG 35 1HH2 ARG 35 11.113 -9.094 -7.677 262 HH22 ARG 35 2HH2 ARG 35 9.855 -8.710 -8.804 263 H LEU 36 H LEU 36 7.601 -7.526 -1.749 264 HA LEU 36 HA LEU 36 6.045 -7.546 -4.197 265 HB2 LEU 36 2HB LEU 36 5.653 -8.958 -1.565 266 HB3 LEU 36 1HB LEU 36 4.496 -9.103 -2.865 267 HG LEU 36 HG LEU 36 7.380 -9.981 -2.894 268 HD11 LEU 36 1HD1 LEU 36 5.732 -11.430 -1.726 269 HD12 LEU 36 2HD1 LEU 36 6.491 -12.189 -3.124 270 HD13 LEU 36 3HD1 LEU 36 4.845 -11.568 -3.244 271 HD21 LEU 36 3HD2 LEU 36 6.650 -10.912 -5.184 272 HD22 LEU 36 1HD2 LEU 36 7.082 -9.205 -5.067 273 HD23 LEU 36 2HD2 LEU 36 5.386 -9.684 -5.109 274 H TRP 37 H TRP 37 5.247 -6.384 -0.942 275 HA TRP 37 HA TRP 37 2.644 -5.590 -1.665 276 HB2 TRP 37 2HB TRP 37 4.566 -4.780 0.483 277 HB3 TRP 37 1HB TRP 37 3.073 -3.874 0.242 278 HD1 TRP 37 HD TRP 37 3.221 -7.629 -0.317 279 HE1 TRP 37 1HE TRP 37 1.797 -8.789 1.542 280 HE3 TRP 37 3HE TRP 37 2.052 -3.560 2.455 281 HZ2 TRP 37 2HZ TRP 37 0.321 -7.981 3.867 282 HZ3 TRP 37 3HZ TRP 37 0.677 -3.784 4.434 283 HH2 TRP 37 HH TRP 37 -0.194 -5.908 5.107 284 H LEU 38 H LEU 38 5.865 -3.994 -1.949 285 HA LEU 38 HA LEU 38 5.212 -1.396 -2.519 286 HB2 LEU 38 2HB LEU 38 7.116 -3.222 -4.030 287 HB3 LEU 38 1HB LEU 38 6.976 -1.526 -4.332 288 HG LEU 38 HG LEU 38 8.006 -2.875 -1.884 289 HD11 LEU 38 1HD1 LEU 38 10.021 -2.057 -2.463 290 HD12 LEU 38 2HD1 LEU 38 9.344 -0.581 -3.150 291 HD13 LEU 38 3HD1 LEU 38 9.308 -2.079 -4.077 292 HD21 LEU 38 3HD2 LEU 38 8.130 -0.701 -0.798 293 HD22 LEU 38 1HD2 LEU 38 6.460 -1.131 -1.147 294 HD23 LEU 38 2HD2 LEU 38 7.295 0.039 -2.164 295 H LYS 39 H LYS 39 4.978 -4.294 -4.713 296 HA LYS 39 HA LYS 39 3.931 -3.075 -6.888 297 HB2 LYS 39 2HB LYS 39 3.426 -5.880 -5.845 298 HB3 LYS 39 1HB LYS 39 3.130 -5.345 -7.473 299 HG2 LYS 39 2HG LYS 39 5.805 -4.707 -6.686 300 HG3 LYS 39 1HG LYS 39 5.457 -6.405 -6.391 301 HD2 LYS 39 2HD LYS 39 6.380 -6.031 -8.635 302 HD3 LYS 39 1HD LYS 39 4.751 -6.703 -8.682 303 HE2 LYS 39 2HE LYS 39 4.740 -5.023 -10.315 304 HE3 LYS 39 1HE LYS 39 3.953 -4.285 -8.922 305 HZ1 LYS 39 3HZ LYS 39 5.482 -2.717 -9.765 306 HZ2 LYS 39 1HZ LYS 39 6.729 -3.857 -9.867 307 HZ3 LYS 39 2HZ LYS 39 6.182 -3.333 -8.354 308 H ASN 40 H ASN 40 1.882 -4.524 -4.296 309 HA ASN 40 HA ASN 40 -0.519 -3.759 -5.507 310 HB2 ASN 40 2HB ASN 40 -0.750 -3.822 -2.612 311 HB3 ASN 40 1HB ASN 40 -1.492 -4.847 -3.824 312 HD21 ASN 40 1HD2 ASN 40 0.415 -6.251 -4.930 313 HD22 ASN 40 2HD2 ASN 40 1.291 -7.179 -3.766 314 H VAL 41 H VAL 41 1.520 -2.081 -3.242 315 HA VAL 41 HA VAL 41 -0.433 -0.046 -2.874 316 HB VAL 41 HB VAL 41 1.487 -0.820 -1.195 317 HG11 VAL 41 1HG1 VAL 41 2.520 1.882 -1.809 318 HG12 VAL 41 2HG1 VAL 41 3.080 0.576 -2.848 319 HG13 VAL 41 3HG1 VAL 41 3.342 0.492 -1.107 320 HG21 VAL 41 3HG2 VAL 41 0.720 1.996 -0.885 321 HG22 VAL 41 1HG2 VAL 41 0.409 0.614 0.158 322 HG23 VAL 41 2HG2 VAL 41 -0.619 0.903 -1.240 323 H SER 42 H SER 42 2.119 -0.413 -5.223 324 HA SER 42 HA SER 42 1.435 1.557 -6.841 325 HB2 SER 42 2HB SER 42 1.217 3.485 -5.565 326 HB3 SER 42 1HB SER 42 2.304 2.909 -4.293 327 HG SER 42 HG SER 42 3.001 4.048 -6.805 328 H ARG 43 H ARG 43 4.724 2.460 -5.565 329 HA ARG 43 HA ARG 43 6.660 2.320 -6.820 330 HB2 ARG 43 2HB ARG 43 6.626 0.403 -5.214 331 HB3 ARG 43 1HB ARG 43 6.007 -0.612 -6.508 332 HG2 ARG 43 2HG ARG 43 8.146 -1.102 -6.892 333 HG3 ARG 43 1HG ARG 43 8.221 0.482 -7.667 334 HD2 ARG 43 2HD ARG 43 8.579 0.441 -4.739 335 HD3 ARG 43 1HD ARG 43 9.870 -0.294 -5.685 336 HE ARG 43 HE ARG 43 9.141 2.513 -5.598 337 HH11 ARG 43 1HH1 ARG 43 10.962 0.014 -7.222 338 HH12 ARG 43 2HH1 ARG 43 12.062 1.127 -7.963 339 HH21 ARG 43 1HH2 ARG 43 10.587 3.973 -6.575 340 HH22 ARG 43 2HH2 ARG 43 11.850 3.371 -7.597 341 H ALA 44 H ALA 44 4.458 2.680 -8.573 342 HA ALA 44 HA ALA 44 4.500 0.787 -10.707 343 HB1 ALA 44 1HB ALA 44 3.345 3.526 -10.337 344 HB2 ALA 44 2HB ALA 44 2.522 1.980 -10.548 345 HB3 ALA 44 3HB ALA 44 3.315 2.750 -11.923 346 H GLY 45 H GLY 45 7.134 0.875 -10.847 347 HA2 GLY 45 2HA GLY 45 7.714 2.902 -12.903 348 HA3 GLY 45 1HA GLY 45 8.876 2.559 -11.651 349 H VAL 46 H VAL 46 9.583 0.168 -11.589 350 HA VAL 46 HA VAL 46 10.810 -1.424 -12.697 351 HB VAL 46 HB VAL 46 8.555 -2.064 -14.487 352 HG11 VAL 46 1HG1 VAL 46 10.433 -3.574 -14.100 353 HG12 VAL 46 2HG1 VAL 46 8.905 -4.289 -13.583 354 HG13 VAL 46 3HG1 VAL 46 10.026 -3.640 -12.384 355 HG21 VAL 46 3HG2 VAL 46 8.207 -1.931 -11.502 356 HG22 VAL 46 1HG2 VAL 46 7.187 -2.903 -12.562 357 HG23 VAL 46 2HG2 VAL 46 7.233 -1.150 -12.746 358 H SER 47 H SER 47 11.445 0.996 -13.905 359 HA SER 47 HA SER 47 12.407 0.100 -16.417 360 HB2 SER 47 2HB SER 47 10.928 0.948 -17.959 361 HB3 SER 47 1HB SER 47 9.781 0.630 -16.652 362 HG SER 47 HG SER 47 9.862 2.822 -17.776 363 H GLY 48 H GLY 48 11.165 3.410 -15.142 364 HA2 GLY 48 2HA GLY 48 13.883 4.379 -15.769 365 HA3 GLY 48 1HA GLY 48 12.445 5.378 -15.608 366 H CYS 49 H CYS 49 12.680 2.973 -13.221 367 HA CYS 49 HA CYS 49 13.380 2.946 -11.042 368 HB2 CYS 49 2HB CYS 49 15.299 4.529 -12.144 369 HB3 CYS 49 1HB CYS 49 14.569 5.645 -10.996 370 HG CYS 49 HG CYS 49 16.597 4.155 -10.000 371 H PHE 50 H PHE 50 11.631 5.525 -12.476 372 HA PHE 50 HA PHE 50 9.910 6.824 -11.784 373 HB2 PHE 50 2HB PHE 50 9.654 4.391 -10.385 374 HB3 PHE 50 1HB PHE 50 9.433 5.639 -9.162 375 HD1 PHE 50 1HD PHE 50 8.490 5.695 -12.757 376 HD2 PHE 50 2HD PHE 50 7.158 5.607 -8.716 377 HE1 PHE 50 1HE PHE 50 6.174 6.027 -13.518 378 HE2 PHE 50 2HE PHE 50 4.839 5.937 -9.469 379 HZ PHE 50 HZ PHE 50 4.344 6.148 -11.872 380 H SER 51 H SER 51 11.359 6.003 -8.506 381 HA SER 51 HA SER 51 12.287 7.347 -6.937 382 HB2 SER 51 2HB SER 51 13.655 7.986 -9.114 383 HB3 SER 51 1HB SER 51 12.831 9.531 -8.899 384 HG SER 51 HG SER 51 14.686 8.249 -7.227 385 H THR 52 H THR 52 9.494 8.033 -8.451 386 HA THR 52 HA THR 52 8.935 10.689 -7.702 387 HB THR 52 HB THR 52 6.599 10.110 -8.128 388 HG1 THR 52 1HG THR 52 6.126 7.898 -8.647 389 HG21 THR 52 3HG2 THR 52 6.833 9.948 -10.340 390 HG22 THR 52 1HG2 THR 52 7.742 8.440 -10.232 391 HG23 THR 52 2HG2 THR 52 8.566 9.987 -10.015 392 H PHE 53 H PHE 53 8.859 7.686 -5.919 393 HA PHE 53 HA PHE 53 8.431 9.107 -3.449 394 HB2 PHE 53 2HB PHE 53 6.478 7.518 -2.867 395 HB3 PHE 53 1HB PHE 53 6.125 8.896 -3.902 396 HD1 PHE 53 2HD PHE 53 6.993 5.280 -4.040 397 HD2 PHE 53 1HD PHE 53 5.103 8.573 -5.954 398 HE1 PHE 53 2HE PHE 53 6.120 3.768 -5.753 399 HE2 PHE 53 1HE PHE 53 4.218 7.060 -7.681 400 HZ PHE 53 HZ PHE 53 4.726 4.651 -7.579 401 H GLN 54 H GLN 54 10.701 7.851 -4.013 402 HA GLN 54 HA GLN 54 11.375 5.342 -3.925 403 HB2 GLN 54 2HB GLN 54 12.871 7.286 -3.423 404 HB3 GLN 54 1HB GLN 54 12.364 7.174 -1.744 405 HG2 GLN 54 2HG GLN 54 13.174 4.712 -1.951 406 HG3 GLN 54 1HG GLN 54 14.077 5.325 -3.333 407 HE21 GLN 54 1HE2 GLN 54 16.104 5.262 -2.573 408 HE22 GLN 54 2HE2 GLN 54 16.663 6.122 -1.182 409 HA PRO 55 HA PRO 55 8.906 3.372 -0.707 410 HB2 PRO 55 2HB PRO 55 10.381 0.927 -1.297 411 HB3 PRO 55 1HB PRO 55 8.670 1.284 -1.529 412 HG2 PRO 55 2HG PRO 55 10.405 1.002 -3.600 413 HG3 PRO 55 1HG PRO 55 8.970 2.039 -3.671 414 HD2 PRO 55 2HD PRO 55 11.834 2.784 -3.253 415 HD3 PRO 55 1HD PRO 55 10.573 3.618 -4.189 416 H THR 56 H THR 56 12.387 3.235 -1.006 417 HA THR 56 HA THR 56 13.190 1.917 1.278 418 HB THR 56 HB THR 56 14.484 4.557 0.660 419 HG1 THR 56 1HG THR 56 15.440 3.584 -1.193 420 HG21 THR 56 3HG2 THR 56 15.839 3.405 2.084 421 HG22 THR 56 1HG2 THR 56 16.467 2.856 0.531 422 HG23 THR 56 2HG2 THR 56 15.361 1.831 1.447 423 H THR 57 H THR 57 11.958 5.346 0.984 424 HA THR 57 HA THR 57 12.394 6.145 3.608 425 HB THR 57 HB THR 57 11.615 7.623 1.773 426 HG1 THR 57 1HG THR 57 10.032 7.554 4.118 427 HG21 THR 57 3HG2 THR 57 9.671 5.818 1.269 428 HG22 THR 57 1HG2 THR 57 9.627 7.504 0.750 429 HG23 THR 57 2HG2 THR 57 8.784 7.009 2.219 430 H GLY 58 H GLY 58 9.912 4.073 2.239 431 HA2 GLY 58 2HA GLY 58 9.146 2.404 4.002 432 HA3 GLY 58 1HA GLY 58 8.742 3.826 4.930 433 H HIS 59 H HIS 59 7.772 2.095 1.850 434 HA HIS 59 HA HIS 59 5.435 3.779 1.705 435 HB2 HIS 59 2HB HIS 59 6.657 1.749 -0.022 436 HB3 HIS 59 1HB HIS 59 4.907 1.625 0.047 437 HD1 HIS 59 1HD HIS 59 7.086 4.716 -0.080 438 HD2 HIS 59 2HD HIS 59 4.049 2.844 -2.250 439 HE1 HIS 59 1HE HIS 59 6.500 6.297 -1.934 440 HE2 HIS 59 2HE HIS 59 4.606 5.196 -3.167 441 H ARG 60 H ARG 60 3.497 3.367 2.394 442 HA ARG 60 HA ARG 60 3.022 1.004 4.109 443 HB2 ARG 60 2HB ARG 60 1.558 2.532 5.379 444 HB3 ARG 60 1HB ARG 60 3.179 3.165 5.230 445 HG2 ARG 60 2HG ARG 60 1.617 4.127 3.042 446 HG3 ARG 60 1HG ARG 60 0.789 4.457 4.558 447 HD2 ARG 60 2HD ARG 60 3.497 5.055 4.995 448 HD3 ARG 60 1HD ARG 60 3.084 5.748 3.431 449 HE ARG 60 HE ARG 60 1.130 6.770 4.719 450 HH11 ARG 60 1HH1 ARG 60 4.272 6.156 6.131 451 HH12 ARG 60 2HH1 ARG 60 4.126 7.425 7.298 452 HH21 ARG 60 1HH2 ARG 60 0.949 8.433 6.255 453 HH22 ARG 60 2HH2 ARG 60 2.245 8.713 7.371 454 H LEU 61 H LEU 61 0.470 0.539 4.211 455 HA LEU 61 HA LEU 61 -0.608 0.541 1.467 456 HB2 LEU 61 2HB LEU 61 -0.048 -1.492 3.269 457 HB3 LEU 61 1HB LEU 61 -1.763 -1.271 3.486 458 HG LEU 61 HG LEU 61 -0.557 -2.939 1.686 459 HD11 LEU 61 1HD1 LEU 61 -2.915 -3.029 0.739 460 HD12 LEU 61 2HD1 LEU 61 -3.292 -1.867 2.014 461 HD13 LEU 61 3HD1 LEU 61 -2.642 -3.445 2.421 462 HD21 LEU 61 3HD2 LEU 61 -1.321 -2.098 -0.512 463 HD22 LEU 61 1HD2 LEU 61 0.098 -1.296 0.153 464 HD23 LEU 61 2HD2 LEU 61 -1.476 -0.503 0.224 465 H CYS 62 H CYS 62 -3.208 0.806 1.364 466 HA CYS 62 HA CYS 62 -4.055 2.022 3.831 467 HB2 CYS 62 2HB CYS 62 -4.336 4.113 3.062 468 HB3 CYS 62 1HB CYS 62 -3.005 3.564 2.126 469 H SER 63 H SER 63 -6.583 2.806 3.665 470 HA SER 63 HA SER 63 -7.952 0.991 4.693 471 HB2 SER 63 2HB SER 63 -8.722 3.442 3.367 472 HB3 SER 63 1HB SER 63 -10.031 2.274 3.372 473 HG SER 63 HG SER 63 -8.515 2.903 5.682 474 H VAL 64 H VAL 64 -9.546 1.627 1.805 475 HA VAL 64 HA VAL 64 -10.813 -0.900 2.016 476 HB VAL 64 HB VAL 64 -12.262 -0.372 0.230 477 HG11 VAL 64 1HG1 VAL 64 -13.231 0.868 1.795 478 HG12 VAL 64 2HG1 VAL 64 -12.482 2.270 1.025 479 HG13 VAL 64 3HG1 VAL 64 -11.683 1.472 2.382 480 HG21 VAL 64 3HG2 VAL 64 -10.054 1.289 -0.666 481 HG22 VAL 64 1HG2 VAL 64 -11.619 2.095 -0.748 482 HG23 VAL 64 2HG2 VAL 64 -11.373 0.559 -1.579 483 H HIS 65 H HIS 65 -8.220 -1.617 1.508 484 HA HIS 65 HA HIS 65 -8.730 -3.228 -0.889 485 HB2 HIS 65 2HB HIS 65 -5.980 -2.866 -1.009 486 HB3 HIS 65 1HB HIS 65 -7.188 -2.143 -2.063 487 HD1 HIS 65 1HD HIS 65 -8.331 0.033 -0.413 488 HD2 HIS 65 2HD HIS 65 -4.274 -0.820 -0.507 489 HE1 HIS 65 1HE HIS 65 -7.203 2.084 0.430 490 H PHE 66 H PHE 66 -9.214 -4.067 1.635 491 HA PHE 66 HA PHE 66 -7.085 -6.045 2.016 492 HB2 PHE 66 2HB PHE 66 -8.145 -4.084 3.931 493 HB3 PHE 66 1HB PHE 66 -8.135 -5.723 4.561 494 HD1 PHE 66 1HD PHE 66 -5.839 -7.013 3.984 495 HD2 PHE 66 2HD PHE 66 -6.321 -2.804 4.360 496 HE1 PHE 66 1HE PHE 66 -3.443 -6.788 4.488 497 HE2 PHE 66 2HE PHE 66 -3.928 -2.569 4.866 498 HZ PHE 66 HZ PHE 66 -2.489 -4.564 4.929 499 H GLN 67 H GLN 67 -8.040 -8.069 3.358 500 HA GLN 67 HA GLN 67 -10.758 -8.524 2.371 501 HB2 GLN 67 2HB GLN 67 -8.411 -10.256 2.939 502 HB3 GLN 67 1HB GLN 67 -10.012 -10.956 3.127 503 HG2 GLN 67 2HG GLN 67 -9.035 -11.346 0.904 504 HG3 GLN 67 1HG GLN 67 -10.559 -10.461 0.845 505 HE21 GLN 67 1HE2 GLN 67 -7.293 -9.323 1.585 506 HE22 GLN 67 2HE2 GLN 67 -7.207 -8.183 0.290 507 H GLY 68 H GLY 68 -12.296 -7.929 4.321 508 HA2 GLY 68 2HA GLY 68 -13.120 -8.178 6.420 509 HA3 GLY 68 1HA GLY 68 -12.127 -9.614 6.580 510 H GLY 69 H GLY 69 -9.658 -9.075 7.040 511 HA2 GLY 69 2HA GLY 69 -8.358 -7.029 7.868 512 HA3 GLY 69 1HA GLY 69 -9.660 -6.918 9.045 513 H ARG 70 H ARG 70 -7.009 -7.149 9.814 514 HA ARG 70 HA ARG 70 -5.799 -8.225 11.402 515 HB2 ARG 70 2HB ARG 70 -7.575 -8.917 12.703 516 HB3 ARG 70 1HB ARG 70 -8.282 -9.886 11.429 517 HG2 ARG 70 2HG ARG 70 -7.515 -11.361 13.113 518 HG3 ARG 70 1HG ARG 70 -6.418 -11.524 11.744 519 HD2 ARG 70 2HD ARG 70 -5.558 -11.272 14.245 520 HD3 ARG 70 1HD ARG 70 -4.664 -10.624 12.877 521 HE ARG 70 HE ARG 70 -6.363 -9.053 14.699 522 HH11 ARG 70 1HH1 ARG 70 -3.782 -9.234 12.344 523 HH12 ARG 70 2HH1 ARG 70 -3.299 -7.590 12.570 524 HH21 ARG 70 1HH2 ARG 70 -5.722 -6.890 14.984 525 HH22 ARG 70 2HH2 ARG 70 -4.398 -6.261 14.063 526 H LYS 71 H LYS 71 -6.404 -9.386 8.346 527 HA LYS 71 HA LYS 71 -5.323 -10.832 6.954 528 HB2 LYS 71 2HB LYS 71 -3.448 -9.418 8.323 529 HB3 LYS 71 1HB LYS 71 -2.951 -11.053 8.687 530 HG2 LYS 71 2HG LYS 71 -2.254 -11.467 6.582 531 HG3 LYS 71 1HG LYS 71 -3.533 -10.508 5.844 532 HD2 LYS 71 2HD LYS 71 -0.869 -9.643 6.893 533 HD3 LYS 71 1HD LYS 71 -1.634 -9.269 5.349 534 HE2 LYS 71 2HE LYS 71 -3.384 -8.057 6.928 535 HE3 LYS 71 1HE LYS 71 -1.995 -8.004 8.010 536 HZ1 LYS 71 3HZ LYS 71 -2.423 -6.101 6.324 537 HZ2 LYS 71 1HZ LYS 71 -1.650 -7.143 5.236 538 HZ3 LYS 71 2HZ LYS 71 -0.848 -6.629 6.637 539 H THR 72 H THR 72 -6.741 -12.582 7.395 540 HA THR 72 HA THR 72 -6.332 -14.417 9.512 541 HB THR 72 HB THR 72 -7.854 -15.899 8.202 542 HG1 THR 72 1HG THR 72 -7.910 -13.771 6.334 543 HG21 THR 72 3HG2 THR 72 -8.929 -13.103 8.185 544 HG22 THR 72 1HG2 THR 72 -8.701 -14.026 9.669 545 HG23 THR 72 2HG2 THR 72 -9.802 -14.616 8.423 546 H TYR 73 H TYR 73 -6.054 -15.230 6.054 547 HA TYR 73 HA TYR 73 -3.383 -16.167 6.250 548 HB2 TYR 73 2HB TYR 73 -4.505 -17.932 7.569 549 HB3 TYR 73 1HB TYR 73 -5.524 -18.299 6.182 550 HD1 TYR 73 1HD TYR 73 -4.283 -18.968 3.995 551 HD2 TYR 73 2HD TYR 73 -2.503 -19.075 7.857 552 HE1 TYR 73 1HE TYR 73 -2.593 -20.549 3.164 553 HE2 TYR 73 2HE TYR 73 -0.806 -20.654 7.038 554 HH TYR 73 HH TYR 73 -0.695 -22.394 5.096 555 H THR 74 H THR 74 -6.473 -16.363 4.570 556 HA THR 74 HA THR 74 -5.315 -17.111 2.058 557 HB THR 74 HB THR 74 -7.798 -16.046 1.475 558 HG1 THR 74 1HG THR 74 -8.595 -15.733 3.420 559 HG21 THR 74 3HG2 THR 74 -7.500 -18.843 2.498 560 HG22 THR 74 1HG2 THR 74 -6.823 -18.339 0.951 561 HG23 THR 74 2HG2 THR 74 -8.561 -18.230 1.230 562 H VAL 75 H VAL 75 -5.157 -14.280 3.731 563 HA VAL 75 HA VAL 75 -5.154 -12.611 1.298 564 HB VAL 75 HB VAL 75 -6.695 -11.673 2.820 565 HG11 VAL 75 1HG1 VAL 75 -6.311 -13.008 4.735 566 HG12 VAL 75 2HG1 VAL 75 -6.162 -11.326 5.241 567 HG13 VAL 75 3HG1 VAL 75 -4.715 -12.303 4.991 568 HG21 VAL 75 3HG2 VAL 75 -5.705 -9.610 3.761 569 HG22 VAL 75 1HG2 VAL 75 -5.253 -9.871 2.081 570 HG23 VAL 75 2HG2 VAL 75 -4.100 -10.213 3.379 571 H ARG 76 H ARG 76 -2.981 -13.063 0.572 572 HA ARG 76 HA ARG 76 -0.868 -12.656 2.539 573 HB2 ARG 76 2HB ARG 76 -0.726 -14.590 1.021 574 HB3 ARG 76 1HB ARG 76 -0.660 -13.506 -0.359 575 HG2 ARG 76 2HG ARG 76 1.374 -12.616 1.303 576 HG3 ARG 76 1HG ARG 76 1.447 -14.376 1.411 577 HD2 ARG 76 2HD ARG 76 1.073 -13.916 -1.282 578 HD3 ARG 76 1HD ARG 76 2.145 -12.607 -0.795 579 HE ARG 76 HE ARG 76 3.177 -14.928 0.304 580 HH11 ARG 76 1HH1 ARG 76 2.544 -13.654 -2.881 581 HH12 ARG 76 2HH1 ARG 76 3.815 -14.560 -3.631 582 HH21 ARG 76 1HH2 ARG 76 4.849 -16.120 -0.680 583 HH22 ARG 76 2HH2 ARG 76 5.123 -15.961 -2.383 584 H VAL 77 H VAL 77 -1.933 -11.210 -0.570 585 HA VAL 77 HA VAL 77 -0.484 -8.803 0.257 586 HB VAL 77 HB VAL 77 0.509 -8.427 -1.870 587 HG11 VAL 77 1HG1 VAL 77 2.076 -10.017 -1.801 588 HG12 VAL 77 2HG1 VAL 77 0.913 -11.316 -2.068 589 HG13 VAL 77 3HG1 VAL 77 1.153 -10.666 -0.448 590 HG21 VAL 77 3HG2 VAL 77 -1.301 -10.591 -2.913 591 HG22 VAL 77 1HG2 VAL 77 0.030 -9.880 -3.825 592 HG23 VAL 77 2HG2 VAL 77 -1.325 -8.874 -3.316 593 HA PRO 78 HA PRO 78 -4.578 -7.006 -0.305 594 HB2 PRO 78 2HB PRO 78 -2.851 -4.581 -0.392 595 HB3 PRO 78 1HB PRO 78 -4.334 -4.852 0.520 596 HG2 PRO 78 2HG PRO 78 -2.072 -4.981 1.811 597 HG3 PRO 78 1HG PRO 78 -3.208 -6.328 2.035 598 HD2 PRO 78 2HD PRO 78 -0.817 -6.153 0.223 599 HD3 PRO 78 1HD PRO 78 -1.242 -7.436 1.392 600 H THR 79 H THR 79 -3.601 -7.889 -2.955 601 HA THR 79 HA THR 79 -4.122 -5.270 -4.181 602 HB THR 79 HB THR 79 -2.059 -6.298 -4.983 603 HG1 THR 79 1HG THR 79 -3.275 -5.095 -6.484 604 HG21 THR 79 3HG2 THR 79 -3.211 -8.389 -6.583 605 HG22 THR 79 1HG2 THR 79 -3.449 -8.695 -4.862 606 HG23 THR 79 2HG2 THR 79 -1.824 -8.434 -5.495 607 H ILE 80 H ILE 80 -6.053 -4.970 -4.374 608 HA ILE 80 HA ILE 80 -7.744 -6.818 -5.903 609 HB ILE 80 HB ILE 80 -8.653 -5.092 -3.588 610 HG12 ILE 80 2HG1 ILE 80 -9.456 -7.514 -2.878 611 HG13 ILE 80 1HG1 ILE 80 -8.139 -8.017 -3.932 612 HG21 ILE 80 1HG2 ILE 80 -10.508 -4.989 -4.906 613 HG22 ILE 80 2HG2 ILE 80 -10.813 -6.535 -4.116 614 HG23 ILE 80 3HG2 ILE 80 -10.136 -6.497 -5.744 615 HD11 ILE 80 3HD1 ILE 80 -8.017 -7.168 -1.247 616 HD12 ILE 80 1HD1 ILE 80 -7.188 -5.957 -2.223 617 HD13 ILE 80 2HD1 ILE 80 -6.693 -7.647 -2.308 618 H PHE 81 H PHE 81 -7.530 -5.681 -7.923 619 HA PHE 81 HA PHE 81 -9.108 -3.367 -8.210 620 HB2 PHE 81 2HB PHE 81 -6.396 -2.495 -9.005 621 HB3 PHE 81 1HB PHE 81 -7.722 -1.569 -8.328 622 HD1 PHE 81 2HD PHE 81 -7.997 -1.459 -5.821 623 HD2 PHE 81 1HD PHE 81 -4.615 -3.268 -7.679 624 HE1 PHE 81 2HE PHE 81 -6.786 -1.365 -3.695 625 HE2 PHE 81 1HE PHE 81 -3.384 -3.141 -5.557 626 HZ PHE 81 HZ PHE 81 -4.482 -2.229 -3.522 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 6.030 15.783 -5.731 2 H2 GLY 1 2HT GLY 1 7.409 15.783 -6.710 3 H3 GLY 1 3HT GLY 1 6.194 16.932 -6.961 4 HA2 GLY 1 1HA GLY 1 8.261 16.822 -4.890 5 HA3 GLY 1 2HA GLY 1 7.689 18.200 -5.819 6 H SER 2 H SER 2 6.757 15.941 -3.254 7 HA SER 2 HA SER 2 5.852 17.963 -1.527 8 HB2 SER 2 2HB SER 2 3.928 17.119 -3.505 9 HB3 SER 2 1HB SER 2 3.363 16.687 -1.893 10 HG SER 2 HG SER 2 3.122 18.994 -2.957 11 HA PRO 3 HA PRO 3 5.952 14.626 1.355 12 HB2 PRO 3 2HB PRO 3 3.989 15.178 3.124 13 HB3 PRO 3 1HB PRO 3 5.452 16.161 2.998 14 HG2 PRO 3 2HG PRO 3 2.726 16.666 1.868 15 HG3 PRO 3 1HG PRO 3 3.831 17.796 2.674 16 HD2 PRO 3 2HD PRO 3 3.562 17.656 -0.030 17 HD3 PRO 3 1HD PRO 3 5.073 18.134 0.769 18 H GLY 4 H GLY 4 4.829 13.572 -0.851 19 HA2 GLY 4 2HA GLY 4 2.743 11.857 0.285 20 HA3 GLY 4 1HA GLY 4 2.417 12.670 -1.245 21 H PHE 5 H PHE 5 2.204 10.041 -1.583 22 HA PHE 5 HA PHE 5 4.638 9.356 -3.016 23 HB2 PHE 5 2HB PHE 5 3.464 7.314 -1.156 24 HB3 PHE 5 1HB PHE 5 5.003 7.281 -1.992 25 HD1 PHE 5 1HD PHE 5 6.737 9.064 -1.323 26 HD2 PHE 5 2HD PHE 5 3.337 8.061 1.037 27 HE1 PHE 5 1HE PHE 5 7.836 10.017 0.659 28 HE2 PHE 5 2HE PHE 5 4.431 9.015 3.021 29 HZ PHE 5 HZ PHE 5 6.682 9.997 2.835 30 H THR 6 H THR 6 1.318 8.440 -2.272 31 HA THR 6 HA THR 6 -0.376 7.962 -3.785 32 HB THR 6 HB THR 6 1.644 7.021 -5.801 33 HG1 THR 6 1HG THR 6 2.309 9.000 -5.894 34 HG21 THR 6 3HG2 THR 6 -1.105 7.026 -5.850 35 HG22 THR 6 1HG2 THR 6 -0.033 6.921 -7.247 36 HG23 THR 6 2HG2 THR 6 -0.673 8.485 -6.741 37 H CYS 7 H CYS 7 -1.377 6.240 -2.873 38 HA CYS 7 HA CYS 7 -0.031 3.731 -2.441 39 HB2 CYS 7 2HB CYS 7 -1.660 4.064 -0.770 40 HB3 CYS 7 1HB CYS 7 -2.894 4.639 -1.885 41 H CYS 8 H CYS 8 -0.876 5.119 -5.211 42 HA CYS 8 HA CYS 8 -1.503 4.378 -7.271 43 HB2 CYS 8 2HB CYS 8 0.330 2.857 -7.031 44 HB3 CYS 8 1HB CYS 8 -0.581 1.809 -5.958 45 HG CYS 8 HG CYS 8 -0.487 0.753 -8.355 46 H VAL 9 H VAL 9 -3.244 4.710 -5.099 47 HA VAL 9 HA VAL 9 -5.249 2.711 -4.929 48 HB VAL 9 HB VAL 9 -4.994 4.086 -3.040 49 HG11 VAL 9 1HG1 VAL 9 -4.666 6.243 -5.029 50 HG12 VAL 9 2HG1 VAL 9 -3.744 5.885 -3.569 51 HG13 VAL 9 3HG1 VAL 9 -5.312 6.685 -3.449 52 HG21 VAL 9 3HG2 VAL 9 -7.448 3.919 -3.890 53 HG22 VAL 9 1HG2 VAL 9 -7.259 5.641 -4.213 54 HG23 VAL 9 2HG2 VAL 9 -7.046 5.027 -2.567 55 HA PRO 10 HA PRO 10 -7.102 4.265 -8.777 56 HB2 PRO 10 2HB PRO 10 -8.134 1.954 -9.605 57 HB3 PRO 10 1HB PRO 10 -6.389 2.232 -9.692 58 HG2 PRO 10 2HG PRO 10 -7.959 0.689 -7.661 59 HG3 PRO 10 1HG PRO 10 -6.426 0.264 -8.446 60 HD2 PRO 10 2HD PRO 10 -6.627 1.378 -5.931 61 HD3 PRO 10 1HD PRO 10 -5.200 1.495 -6.971 62 H GLY 11 H GLY 11 -8.431 2.372 -6.162 63 HA2 GLY 11 2HA GLY 11 -10.806 3.977 -6.139 64 HA3 GLY 11 1HA GLY 11 -11.092 2.316 -6.621 65 H CYS 12 H CYS 12 -8.490 2.493 -4.364 66 HA CYS 12 HA CYS 12 -10.141 1.170 -2.491 67 HB2 CYS 12 2HB CYS 12 -8.033 1.733 -0.898 68 HB3 CYS 12 1HB CYS 12 -8.147 0.342 -1.937 69 H TYR 13 H TYR 13 -8.723 2.888 -0.167 70 HA TYR 13 HA TYR 13 -11.062 4.604 0.020 71 HB2 TYR 13 2HB TYR 13 -10.708 3.002 1.810 72 HB3 TYR 13 1HB TYR 13 -9.170 3.765 2.181 73 HD1 TYR 13 2HD TYR 13 -11.961 5.880 1.180 74 HD2 TYR 13 1HD TYR 13 -9.956 4.139 4.505 75 HE1 TYR 13 2HE TYR 13 -13.116 7.439 2.685 76 HE2 TYR 13 1HE TYR 13 -11.108 5.693 6.019 77 HH TYR 13 HH TYR 13 -12.220 7.828 5.971 78 H ASN 14 H ASN 14 -7.657 4.787 0.791 79 HA ASN 14 HA ASN 14 -7.685 7.692 0.436 80 HB2 ASN 14 2HB ASN 14 -5.586 7.278 1.986 81 HB3 ASN 14 1HB ASN 14 -7.097 7.788 2.588 82 HD21 ASN 14 1HD2 ASN 14 -8.547 5.507 2.656 83 HD22 ASN 14 2HD2 ASN 14 -7.790 4.313 3.650 84 H ASN 15 H ASN 15 -5.453 8.731 -0.241 85 HA ASN 15 HA ASN 15 -4.112 6.729 -1.911 86 HB2 ASN 15 2HB ASN 15 -5.137 8.542 -3.192 87 HB3 ASN 15 1HB ASN 15 -4.287 9.738 -2.223 88 HD21 ASN 15 1HD2 ASN 15 -4.283 8.118 -5.087 89 HD22 ASN 15 2HD2 ASN 15 -2.624 8.325 -5.527 90 H SER 16 H SER 16 -1.543 7.096 -2.132 91 HA SER 16 HA SER 16 -0.556 7.574 0.502 92 HB2 SER 16 2HB SER 16 0.170 5.534 -0.851 93 HB3 SER 16 1HB SER 16 0.985 6.590 -1.954 94 HG SER 16 HG SER 16 1.525 6.530 0.823 95 H HIS 17 H HIS 17 -1.092 9.682 -2.084 96 HA HIS 17 HA HIS 17 0.914 11.520 -1.028 97 HB2 HIS 17 2HB HIS 17 1.826 12.109 -3.089 98 HB3 HIS 17 1HB HIS 17 1.640 10.371 -3.261 99 HD1 HIS 17 1HD HIS 17 -0.739 9.693 -4.525 100 HD2 HIS 17 2HD HIS 17 0.780 13.510 -5.142 101 HE1 HIS 17 1HE HIS 17 -1.854 10.528 -6.617 102 HE2 HIS 17 2HE HIS 17 -0.881 12.820 -7.001 103 H ARG 18 H ARG 18 -2.318 11.062 -1.725 104 HA ARG 18 HA ARG 18 -2.686 13.940 -2.231 105 HB2 ARG 18 2HB ARG 18 -4.345 13.517 -3.698 106 HB3 ARG 18 1HB ARG 18 -3.542 11.963 -3.832 107 HG2 ARG 18 2HG ARG 18 -5.198 11.360 -1.849 108 HG3 ARG 18 1HG ARG 18 -6.132 12.666 -2.578 109 HD2 ARG 18 2HD ARG 18 -5.002 10.623 -4.403 110 HD3 ARG 18 1HD ARG 18 -6.343 10.129 -3.369 111 HE ARG 18 HE ARG 18 -6.476 11.835 -5.652 112 HH11 ARG 18 1HH1 ARG 18 -7.926 11.208 -2.540 113 HH12 ARG 18 2HH1 ARG 18 -9.465 11.863 -2.987 114 HH21 ARG 18 1HH2 ARG 18 -8.500 12.698 -6.239 115 HH22 ARG 18 2HH2 ARG 18 -9.791 12.709 -5.086 116 H ASP 19 H ASP 19 -2.506 12.397 0.403 117 HA ASP 19 HA ASP 19 -4.482 13.924 1.722 118 HB2 ASP 19 2HB ASP 19 -6.182 12.486 1.450 119 HB3 ASP 19 1HB ASP 19 -5.121 11.151 1.025 120 H LYS 20 H LYS 20 -2.904 10.830 2.489 121 HA LYS 20 HA LYS 20 -1.414 10.231 4.102 122 HB2 LYS 20 2HB LYS 20 0.349 11.591 4.290 123 HB3 LYS 20 1HB LYS 20 -0.533 12.677 3.234 124 HG2 LYS 20 2HG LYS 20 -1.501 13.714 5.336 125 HG3 LYS 20 1HG LYS 20 -0.288 12.791 6.223 126 HD2 LYS 20 2HD LYS 20 0.809 14.246 3.944 127 HD3 LYS 20 1HD LYS 20 0.065 15.299 5.150 128 HE2 LYS 20 2HE LYS 20 1.590 14.765 6.759 129 HE3 LYS 20 1HE LYS 20 1.850 13.140 6.129 130 HZ1 LYS 20 3HZ LYS 20 3.735 14.784 5.871 131 HZ2 LYS 20 1HZ LYS 20 2.795 15.543 4.688 132 HZ3 LYS 20 2HZ LYS 20 3.279 13.936 4.479 133 H ALA 21 H ALA 21 -4.239 11.440 4.712 134 HA ALA 21 HA ALA 21 -3.949 11.701 7.613 135 HB1 ALA 21 1HB ALA 21 -5.695 13.138 7.667 136 HB2 ALA 21 2HB ALA 21 -6.505 12.392 6.290 137 HB3 ALA 21 3HB ALA 21 -5.110 13.439 6.031 138 H LEU 22 H LEU 22 -5.944 9.753 5.277 139 HA LEU 22 HA LEU 22 -7.648 8.650 7.175 140 HB2 LEU 22 2HB LEU 22 -6.867 7.267 4.596 141 HB3 LEU 22 1HB LEU 22 -8.448 7.309 5.375 142 HG LEU 22 HG LEU 22 -7.331 9.040 3.344 143 HD11 LEU 22 1HD1 LEU 22 -9.930 9.700 3.546 144 HD12 LEU 22 2HD1 LEU 22 -9.946 8.107 4.299 145 HD13 LEU 22 3HD1 LEU 22 -9.331 8.303 2.656 146 HD21 LEU 22 3HD2 LEU 22 -8.196 10.258 5.886 147 HD22 LEU 22 1HD2 LEU 22 -8.688 11.009 4.370 148 HD23 LEU 22 2HD2 LEU 22 -6.984 10.769 4.721 149 H HIS 23 H HIS 23 -7.007 5.584 6.625 150 HA HIS 23 HA HIS 23 -4.998 5.512 8.691 151 HB2 HIS 23 2HB HIS 23 -7.362 4.122 8.238 152 HB3 HIS 23 1HB HIS 23 -6.116 2.950 7.832 153 HD1 HIS 23 1HD HIS 23 -6.283 5.494 10.666 154 HD2 HIS 23 2HD HIS 23 -5.836 1.412 10.036 155 HE1 HIS 23 1HE HIS 23 -5.908 4.498 12.944 156 HE2 HIS 23 2HE HIS 23 -5.558 2.038 12.528 157 H PHE 24 H PHE 24 -2.944 4.308 8.397 158 HA PHE 24 HA PHE 24 -2.520 3.342 5.680 159 HB2 PHE 24 2HB PHE 24 -0.647 4.998 7.355 160 HB3 PHE 24 1HB PHE 24 -0.173 4.188 5.877 161 HD1 PHE 24 2HD PHE 24 -2.239 6.888 7.284 162 HD2 PHE 24 1HD PHE 24 -0.775 5.083 3.717 163 HE1 PHE 24 2HE PHE 24 -2.954 8.855 5.984 164 HE2 PHE 24 1HE PHE 24 -1.466 7.037 2.425 165 HZ PHE 24 HZ PHE 24 -2.566 8.934 3.541 166 H TYR 25 H TYR 25 -1.745 1.116 5.664 167 HA TYR 25 HA TYR 25 -0.976 -0.030 8.198 168 HB2 TYR 25 2HB TYR 25 -1.330 -1.217 5.433 169 HB3 TYR 25 1HB TYR 25 -0.718 -2.151 6.792 170 HD1 TYR 25 1HD TYR 25 -3.539 0.271 6.336 171 HD2 TYR 25 2HD TYR 25 -2.298 -3.586 7.634 172 HE1 TYR 25 1HE TYR 25 -5.844 -0.231 7.033 173 HE2 TYR 25 2HE TYR 25 -4.597 -4.101 8.333 174 HH TYR 25 HH TYR 25 -6.634 -2.923 8.968 175 H THR 26 H THR 26 1.210 -1.204 8.440 176 HA THR 26 HA THR 26 3.208 0.261 6.871 177 HB THR 26 HB THR 26 4.424 0.507 8.755 178 HG1 THR 26 1HG THR 26 5.383 -1.283 9.240 179 HG21 THR 26 3HG2 THR 26 3.329 0.309 10.893 180 HG22 THR 26 1HG2 THR 26 2.079 -0.715 10.186 181 HG23 THR 26 2HG2 THR 26 2.217 0.974 9.698 182 H PHE 27 H PHE 27 5.425 -0.995 6.758 183 HA PHE 27 HA PHE 27 4.854 -3.240 5.155 184 HB2 PHE 27 2HB PHE 27 6.796 -1.266 5.341 185 HB3 PHE 27 1HB PHE 27 7.625 -2.800 5.296 186 HD1 PHE 27 1HD PHE 27 4.493 -2.855 3.584 187 HD2 PHE 27 2HD PHE 27 8.585 -1.747 3.181 188 HE1 PHE 27 1HE PHE 27 4.266 -2.896 1.158 189 HE2 PHE 27 2HE PHE 27 8.364 -1.800 0.753 190 HZ PHE 27 HZ PHE 27 6.195 -2.372 -0.281 191 HA PRO 28 HA PRO 28 5.749 -6.712 7.992 192 HB2 PRO 28 2HB PRO 28 6.924 -7.583 5.326 193 HB3 PRO 28 1HB PRO 28 6.101 -8.603 6.503 194 HG2 PRO 28 2HG PRO 28 4.739 -7.712 4.487 195 HG3 PRO 28 1HG PRO 28 4.021 -7.549 6.094 196 HD2 PRO 28 2HD PRO 28 5.194 -5.497 4.315 197 HD3 PRO 28 1HD PRO 28 3.897 -5.366 5.490 198 H LYS 29 H LYS 29 7.829 -8.056 8.547 199 HA LYS 29 HA LYS 29 10.077 -6.226 8.657 200 HB2 LYS 29 2HB LYS 29 10.884 -8.591 9.877 201 HB3 LYS 29 1HB LYS 29 10.272 -7.154 10.679 202 HG2 LYS 29 2HG LYS 29 8.037 -8.063 10.689 203 HG3 LYS 29 1HG LYS 29 8.570 -9.459 9.749 204 HD2 LYS 29 2HD LYS 29 9.094 -10.521 11.630 205 HD3 LYS 29 1HD LYS 29 10.254 -9.253 12.024 206 HE2 LYS 29 2HE LYS 29 7.777 -8.150 12.642 207 HE3 LYS 29 1HE LYS 29 7.663 -9.823 13.187 208 HZ1 LYS 29 3HZ LYS 29 9.523 -7.715 14.068 209 HZ2 LYS 29 1HZ LYS 29 9.941 -9.346 14.246 210 HZ3 LYS 29 2HZ LYS 29 8.554 -8.741 15.001 211 H ASP 30 H ASP 30 9.111 -8.953 6.850 212 HA ASP 30 HA ASP 30 11.781 -9.737 6.042 213 HB2 ASP 30 2HB ASP 30 9.751 -10.727 4.277 214 HB3 ASP 30 1HB ASP 30 10.719 -11.646 5.418 215 H ALA 31 H ALA 31 12.924 -8.490 4.624 216 HA ALA 31 HA ALA 31 12.039 -6.336 3.285 217 HB1 ALA 31 1HB ALA 31 14.284 -6.448 3.297 218 HB2 ALA 31 2HB ALA 31 14.017 -6.942 1.633 219 HB3 ALA 31 3HB ALA 31 14.346 -8.154 2.877 220 H GLU 32 H GLU 32 12.466 -9.441 1.362 221 HA GLU 32 HA GLU 32 11.190 -8.456 -0.916 222 HB2 GLU 32 2HB GLU 32 12.410 -10.527 -0.939 223 HB3 GLU 32 1HB GLU 32 11.291 -11.337 0.075 224 HG2 GLU 32 2HG GLU 32 10.127 -10.183 -2.354 225 HG3 GLU 32 1HG GLU 32 11.311 -11.460 -2.622 226 H LEU 33 H LEU 33 9.330 -10.490 1.530 227 HA LEU 33 HA LEU 33 6.947 -10.267 0.310 228 HB2 LEU 33 2HB LEU 33 7.524 -11.077 2.716 229 HB3 LEU 33 1HB LEU 33 7.182 -9.440 3.198 230 HG LEU 33 HG LEU 33 5.013 -9.829 3.259 231 HD11 LEU 33 1HD1 LEU 33 5.263 -11.122 0.551 232 HD12 LEU 33 2HD1 LEU 33 4.748 -9.474 0.894 233 HD13 LEU 33 3HD1 LEU 33 3.735 -10.834 1.379 234 HD21 LEU 33 3HD2 LEU 33 5.463 -11.851 4.266 235 HD22 LEU 33 1HD2 LEU 33 5.989 -12.590 2.755 236 HD23 LEU 33 2HD2 LEU 33 4.284 -12.248 3.024 237 H ARG 34 H ARG 34 8.708 -7.767 1.884 238 HA ARG 34 HA ARG 34 6.815 -5.699 1.851 239 HB2 ARG 34 2HB ARG 34 8.453 -4.273 2.589 240 HB3 ARG 34 1HB ARG 34 9.170 -5.809 3.026 241 HG2 ARG 34 2HG ARG 34 10.960 -4.747 2.108 242 HG3 ARG 34 1HG ARG 34 10.333 -5.540 0.674 243 HD2 ARG 34 2HD ARG 34 9.102 -3.450 0.135 244 HD3 ARG 34 1HD ARG 34 9.924 -2.680 1.492 245 HE ARG 34 HE ARG 34 10.999 -3.196 -1.095 246 HH11 ARG 34 1HH1 ARG 34 11.847 -2.966 2.283 247 HH12 ARG 34 2HH1 ARG 34 13.499 -2.552 1.966 248 HH21 ARG 34 1HH2 ARG 34 13.169 -2.651 -1.512 249 HH22 ARG 34 2HH2 ARG 34 14.250 -2.373 -0.187 250 H ARG 35 H ARG 35 9.474 -6.259 -0.399 251 HA ARG 35 HA ARG 35 8.685 -4.247 -2.129 252 HB2 ARG 35 2HB ARG 35 10.155 -5.119 -3.749 253 HB3 ARG 35 1HB ARG 35 10.897 -5.456 -2.200 254 HG2 ARG 35 2HG ARG 35 11.244 -7.335 -3.577 255 HG3 ARG 35 1HG ARG 35 10.032 -7.803 -2.398 256 HD2 ARG 35 2HD ARG 35 8.563 -8.264 -4.016 257 HD3 ARG 35 1HD ARG 35 8.791 -6.676 -4.744 258 HE ARG 35 HE ARG 35 10.036 -9.158 -5.537 259 HH11 ARG 35 1HH1 ARG 35 10.158 -5.672 -5.706 260 HH12 ARG 35 2HH1 ARG 35 11.092 -5.654 -7.163 261 HH21 ARG 35 1HH2 ARG 35 11.266 -9.132 -7.451 262 HH22 ARG 35 2HH2 ARG 35 11.723 -7.615 -8.155 263 H LEU 36 H LEU 36 7.509 -7.544 -1.659 264 HA LEU 36 HA LEU 36 6.033 -7.576 -4.141 265 HB2 LEU 36 2HB LEU 36 5.517 -8.966 -1.520 266 HB3 LEU 36 1HB LEU 36 4.470 -9.142 -2.905 267 HG LEU 36 HG LEU 36 7.255 -9.634 -3.575 268 HD11 LEU 36 1HD1 LEU 36 5.991 -11.132 -1.323 269 HD12 LEU 36 2HD1 LEU 36 7.648 -10.556 -1.498 270 HD13 LEU 36 3HD1 LEU 36 7.096 -11.948 -2.429 271 HD21 LEU 36 3HD2 LEU 36 4.855 -10.236 -4.638 272 HD22 LEU 36 1HD2 LEU 36 5.213 -11.743 -3.794 273 HD23 LEU 36 2HD2 LEU 36 6.339 -11.118 -5.000 274 H TRP 37 H TRP 37 5.130 -6.378 -0.935 275 HA TRP 37 HA TRP 37 2.548 -5.582 -1.730 276 HB2 TRP 37 2HB TRP 37 4.454 -4.686 0.410 277 HB3 TRP 37 1HB TRP 37 2.939 -3.827 0.136 278 HD1 TRP 37 HD TRP 37 3.153 -7.594 -0.294 279 HE1 TRP 37 1HE TRP 37 1.737 -8.712 1.596 280 HE3 TRP 37 3HE TRP 37 2.003 -3.441 2.410 281 HZ2 TRP 37 2HZ TRP 37 0.283 -7.855 3.913 282 HZ3 TRP 37 3HZ TRP 37 0.630 -3.648 4.417 283 HH2 TRP 37 HH TRP 37 -0.218 -5.792 5.155 284 H LEU 38 H LEU 38 5.788 -3.986 -1.937 285 HA LEU 38 HA LEU 38 5.210 -1.412 -2.546 286 HB2 LEU 38 2HB LEU 38 7.121 -3.287 -3.953 287 HB3 LEU 38 1HB LEU 38 7.012 -1.601 -4.334 288 HG LEU 38 HG LEU 38 7.786 -2.779 -1.685 289 HD11 LEU 38 1HD1 LEU 38 9.363 -1.013 -3.544 290 HD12 LEU 38 2HD1 LEU 38 9.477 -2.773 -3.537 291 HD13 LEU 38 3HD1 LEU 38 9.938 -1.855 -2.104 292 HD21 LEU 38 3HD2 LEU 38 7.444 0.114 -2.463 293 HD22 LEU 38 1HD2 LEU 38 8.115 -0.472 -0.942 294 HD23 LEU 38 2HD2 LEU 38 6.429 -0.785 -1.338 295 H LYS 39 H LYS 39 4.965 -4.269 -4.801 296 HA LYS 39 HA LYS 39 4.067 -3.054 -7.044 297 HB2 LYS 39 2HB LYS 39 3.910 -5.688 -5.779 298 HB3 LYS 39 1HB LYS 39 2.674 -5.422 -6.978 299 HG2 LYS 39 2HG LYS 39 4.950 -6.491 -7.606 300 HG3 LYS 39 1HG LYS 39 4.179 -5.341 -8.703 301 HD2 LYS 39 2HD LYS 39 5.941 -4.084 -6.732 302 HD3 LYS 39 1HD LYS 39 6.770 -5.221 -7.792 303 HE2 LYS 39 2HE LYS 39 5.423 -3.968 -9.663 304 HE3 LYS 39 1HE LYS 39 5.363 -2.679 -8.460 305 HZ1 LYS 39 3HZ LYS 39 7.908 -3.167 -8.325 306 HZ2 LYS 39 1HZ LYS 39 7.290 -2.176 -9.551 307 HZ3 LYS 39 2HZ LYS 39 7.677 -3.789 -9.880 308 H ASN 40 H ASN 40 1.823 -4.453 -4.646 309 HA ASN 40 HA ASN 40 -0.483 -3.511 -5.885 310 HB2 ASN 40 2HB ASN 40 -1.273 -3.673 -3.270 311 HB3 ASN 40 1HB ASN 40 -1.217 -5.016 -4.401 312 HD21 ASN 40 1HD2 ASN 40 0.392 -6.556 -4.198 313 HD22 ASN 40 2HD2 ASN 40 1.395 -6.667 -2.801 314 H VAL 41 H VAL 41 1.560 -1.903 -3.577 315 HA VAL 41 HA VAL 41 -0.378 0.155 -3.136 316 HB VAL 41 HB VAL 41 1.614 -0.656 -1.541 317 HG11 VAL 41 1HG1 VAL 41 3.292 1.048 -1.364 318 HG12 VAL 41 2HG1 VAL 41 2.536 1.985 -2.652 319 HG13 VAL 41 3HG1 VAL 41 3.300 0.445 -3.016 320 HG21 VAL 41 3HG2 VAL 41 -0.461 0.736 -1.120 321 HG22 VAL 41 1HG2 VAL 41 0.519 2.147 -1.506 322 HG23 VAL 41 2HG2 VAL 41 0.944 1.132 -0.136 323 H SER 42 H SER 42 2.191 -0.171 -5.495 324 HA SER 42 HA SER 42 1.509 1.883 -7.062 325 HB2 SER 42 2HB SER 42 1.492 3.817 -5.819 326 HB3 SER 42 1HB SER 42 2.421 3.102 -4.489 327 HG SER 42 HG SER 42 3.574 3.934 -6.962 328 H ARG 43 H ARG 43 4.912 2.500 -5.860 329 HA ARG 43 HA ARG 43 6.095 0.415 -7.292 330 HB2 ARG 43 2HB ARG 43 4.872 2.035 -9.078 331 HB3 ARG 43 1HB ARG 43 6.440 2.823 -8.985 332 HG2 ARG 43 2HG ARG 43 7.508 1.120 -10.020 333 HG3 ARG 43 1HG ARG 43 6.462 -0.111 -9.313 334 HD2 ARG 43 2HD ARG 43 5.186 -0.164 -11.131 335 HD3 ARG 43 1HD ARG 43 4.958 1.584 -11.084 336 HE ARG 43 HE ARG 43 6.536 1.793 -12.727 337 HH11 ARG 43 1HH1 ARG 43 6.797 -1.390 -11.321 338 HH12 ARG 43 2HH1 ARG 43 7.947 -1.950 -12.490 339 HH21 ARG 43 1HH2 ARG 43 8.045 1.061 -14.265 340 HH22 ARG 43 2HH2 ARG 43 8.657 -0.557 -14.164 341 H ALA 44 H ALA 44 8.458 1.281 -8.163 342 HA ALA 44 HA ALA 44 9.705 2.291 -5.771 343 HB1 ALA 44 1HB ALA 44 11.138 1.870 -8.374 344 HB2 ALA 44 2HB ALA 44 10.566 0.499 -7.421 345 HB3 ALA 44 3HB ALA 44 11.724 1.634 -6.725 346 H GLY 45 H GLY 45 8.406 4.572 -6.025 347 HA2 GLY 45 2HA GLY 45 8.458 6.779 -6.618 348 HA3 GLY 45 1HA GLY 45 10.200 6.572 -6.569 349 H VAL 46 H VAL 46 8.475 4.702 -8.895 350 HA VAL 46 HA VAL 46 8.956 4.600 -11.163 351 HB VAL 46 HB VAL 46 6.717 5.558 -10.913 352 HG11 VAL 46 1HG1 VAL 46 6.274 7.896 -10.998 353 HG12 VAL 46 2HG1 VAL 46 7.975 8.273 -11.268 354 HG13 VAL 46 3HG1 VAL 46 7.450 7.628 -9.712 355 HG21 VAL 46 3HG2 VAL 46 6.810 5.338 -13.128 356 HG22 VAL 46 1HG2 VAL 46 8.455 5.970 -13.206 357 HG23 VAL 46 2HG2 VAL 46 7.084 7.079 -13.186 358 H SER 47 H SER 47 11.348 5.403 -10.201 359 HA SER 47 HA SER 47 12.504 6.758 -12.386 360 HB2 SER 47 2HB SER 47 12.844 8.946 -11.668 361 HB3 SER 47 1HB SER 47 11.230 8.644 -11.030 362 HG SER 47 HG SER 47 11.987 8.712 -9.052 363 H GLY 48 H GLY 48 13.065 6.715 -8.670 364 HA2 GLY 48 2HA GLY 48 14.733 5.501 -7.601 365 HA3 GLY 48 1HA GLY 48 15.354 4.988 -9.162 366 H CYS 49 H CYS 49 14.751 8.352 -8.532 367 HA CYS 49 HA CYS 49 17.325 9.030 -7.560 368 HB2 CYS 49 2HB CYS 49 17.540 8.340 -10.134 369 HB3 CYS 49 1HB CYS 49 17.032 10.011 -10.356 370 HG CYS 49 HG CYS 49 19.235 10.354 -8.586 371 H PHE 50 H PHE 50 14.651 10.162 -9.603 372 HA PHE 50 HA PHE 50 14.766 12.889 -9.140 373 HB2 PHE 50 2HB PHE 50 12.512 10.966 -9.667 374 HB3 PHE 50 1HB PHE 50 12.136 12.639 -9.268 375 HD1 PHE 50 1HD PHE 50 14.069 10.525 -11.621 376 HD2 PHE 50 2HD PHE 50 12.263 14.307 -10.889 377 HE1 PHE 50 1HE PHE 50 14.483 11.170 -13.958 378 HE2 PHE 50 2HE PHE 50 12.672 14.960 -13.227 379 HZ PHE 50 HZ PHE 50 13.783 13.390 -14.765 380 H SER 51 H SER 51 13.267 10.313 -7.022 381 HA SER 51 HA SER 51 13.060 10.374 -4.738 382 HB2 SER 51 2HB SER 51 14.750 12.351 -4.823 383 HB3 SER 51 1HB SER 51 13.319 13.368 -4.658 384 HG SER 51 HG SER 51 13.006 12.640 -2.666 385 H THR 52 H THR 52 11.022 10.644 -6.769 386 HA THR 52 HA THR 52 9.038 12.491 -5.975 387 HB THR 52 HB THR 52 7.666 10.353 -7.099 388 HG1 THR 52 1HG THR 52 10.105 10.600 -8.501 389 HG21 THR 52 3HG2 THR 52 7.106 11.894 -8.583 390 HG22 THR 52 1HG2 THR 52 8.766 12.019 -9.167 391 HG23 THR 52 2HG2 THR 52 8.240 12.988 -7.790 392 H PHE 53 H PHE 53 9.276 9.007 -5.439 393 HA PHE 53 HA PHE 53 8.345 9.258 -2.737 394 HB2 PHE 53 2HB PHE 53 6.295 8.055 -2.920 395 HB3 PHE 53 1HB PHE 53 6.216 9.372 -4.080 396 HD1 PHE 53 1HD PHE 53 6.433 8.878 -6.507 397 HD2 PHE 53 2HD PHE 53 6.230 5.798 -3.587 398 HE1 PHE 53 1HE PHE 53 5.861 7.247 -8.263 399 HE2 PHE 53 2HE PHE 53 5.664 4.169 -5.320 400 HZ PHE 53 HZ PHE 53 5.473 4.884 -7.665 401 H GLN 54 H GLN 54 10.733 8.270 -3.357 402 HA GLN 54 HA GLN 54 10.999 5.623 -4.115 403 HB2 GLN 54 2HB GLN 54 12.628 7.616 -2.836 404 HB3 GLN 54 1HB GLN 54 12.911 6.053 -2.085 405 HG2 GLN 54 2HG GLN 54 13.237 6.795 -4.979 406 HG3 GLN 54 1HG GLN 54 14.486 6.306 -3.835 407 HE21 GLN 54 1HE2 GLN 54 12.018 5.264 -5.991 408 HE22 GLN 54 2HE2 GLN 54 12.323 3.568 -5.871 409 HA PRO 55 HA PRO 55 9.063 3.423 -0.765 410 HB2 PRO 55 2HB PRO 55 10.448 1.014 -1.586 411 HB3 PRO 55 1HB PRO 55 8.737 1.413 -1.730 412 HG2 PRO 55 2HG PRO 55 10.433 1.211 -3.864 413 HG3 PRO 55 1HG PRO 55 8.970 2.209 -3.855 414 HD2 PRO 55 2HD PRO 55 11.824 3.024 -3.524 415 HD3 PRO 55 1HD PRO 55 10.494 3.862 -4.351 416 H THR 56 H THR 56 12.450 3.725 -1.213 417 HA THR 56 HA THR 56 13.604 2.111 0.700 418 HB THR 56 HB THR 56 14.248 5.022 0.078 419 HG1 THR 56 1HG THR 56 14.333 3.363 -1.635 420 HG21 THR 56 3HG2 THR 56 16.617 4.028 0.703 421 HG22 THR 56 1HG2 THR 56 15.632 3.028 1.769 422 HG23 THR 56 2HG2 THR 56 15.568 4.786 1.901 423 H THR 57 H THR 57 12.004 5.364 1.239 424 HA THR 57 HA THR 57 12.481 5.514 3.982 425 HB THR 57 HB THR 57 11.648 7.408 2.722 426 HG1 THR 57 1HG THR 57 9.710 6.565 4.613 427 HG21 THR 57 3HG2 THR 57 9.953 7.349 1.307 428 HG22 THR 57 1HG2 THR 57 8.863 6.754 2.558 429 HG23 THR 57 2HG2 THR 57 9.819 5.618 1.608 430 H GLY 58 H GLY 58 10.341 3.467 2.204 431 HA2 GLY 58 2HA GLY 58 9.510 1.489 3.385 432 HA3 GLY 58 1HA GLY 58 9.230 2.525 4.760 433 H HIS 59 H HIS 59 7.712 1.489 1.634 434 HA HIS 59 HA HIS 59 5.689 3.504 1.929 435 HB2 HIS 59 2HB HIS 59 6.405 1.570 -0.110 436 HB3 HIS 59 1HB HIS 59 4.669 1.573 0.178 437 HD1 HIS 59 1HD HIS 59 6.960 4.546 0.338 438 HD2 HIS 59 2HD HIS 59 3.866 3.073 -2.055 439 HE1 HIS 59 1HE HIS 59 6.429 6.381 -1.276 440 HE2 HIS 59 2HE HIS 59 4.508 5.503 -2.662 441 H ARG 60 H ARG 60 3.606 3.237 2.436 442 HA ARG 60 HA ARG 60 2.937 0.940 4.164 443 HB2 ARG 60 2HB ARG 60 1.676 2.466 5.486 444 HB3 ARG 60 1HB ARG 60 3.156 3.320 5.107 445 HG2 ARG 60 2HG ARG 60 1.664 4.140 3.050 446 HG3 ARG 60 1HG ARG 60 0.398 3.869 4.243 447 HD2 ARG 60 2HD ARG 60 1.352 6.194 4.192 448 HD3 ARG 60 1HD ARG 60 1.388 5.403 5.765 449 HE ARG 60 HE ARG 60 3.661 5.553 5.722 450 HH11 ARG 60 1HH1 ARG 60 2.484 5.834 2.449 451 HH12 ARG 60 2HH1 ARG 60 4.050 6.157 1.783 452 HH21 ARG 60 1HH2 ARG 60 5.719 5.982 4.847 453 HH22 ARG 60 2HH2 ARG 60 5.885 6.244 3.143 454 H LEU 61 H LEU 61 0.372 0.594 4.138 455 HA LEU 61 HA LEU 61 -0.556 0.890 1.344 456 HB2 LEU 61 2HB LEU 61 -1.103 -1.219 3.458 457 HB3 LEU 61 1HB LEU 61 -2.153 -1.041 2.086 458 HG LEU 61 HG LEU 61 0.442 -2.315 2.310 459 HD11 LEU 61 1HD1 LEU 61 -2.040 -3.074 1.542 460 HD12 LEU 61 2HD1 LEU 61 -0.554 -3.980 1.275 461 HD13 LEU 61 3HD1 LEU 61 -1.181 -2.933 0.007 462 HD21 LEU 61 3HD2 LEU 61 1.291 -1.872 0.179 463 HD22 LEU 61 1HD2 LEU 61 0.961 -0.308 0.915 464 HD23 LEU 61 2HD2 LEU 61 -0.153 -0.974 -0.277 465 H CYS 62 H CYS 62 -3.092 1.322 1.165 466 HA CYS 62 HA CYS 62 -3.964 2.580 3.624 467 HB2 CYS 62 2HB CYS 62 -4.847 4.388 2.517 468 HB3 CYS 62 1HB CYS 62 -3.481 4.028 1.570 469 H SER 63 H SER 63 -6.623 2.727 3.600 470 HA SER 63 HA SER 63 -7.425 0.600 4.804 471 HB2 SER 63 2HB SER 63 -8.614 2.965 3.824 472 HB3 SER 63 1HB SER 63 -9.762 1.669 3.552 473 HG SER 63 HG SER 63 -9.231 1.077 5.835 474 H VAL 64 H VAL 64 -9.510 0.987 2.255 475 HA VAL 64 HA VAL 64 -10.532 -1.540 2.296 476 HB VAL 64 HB VAL 64 -11.655 -0.960 0.145 477 HG11 VAL 64 1HG1 VAL 64 -13.003 -0.297 1.843 478 HG12 VAL 64 2HG1 VAL 64 -12.525 1.314 1.306 479 HG13 VAL 64 3HG1 VAL 64 -11.707 0.563 2.676 480 HG21 VAL 64 3HG2 VAL 64 -11.240 1.124 -0.865 481 HG22 VAL 64 1HG2 VAL 64 -9.657 0.386 -0.599 482 HG23 VAL 64 2HG2 VAL 64 -10.232 1.651 0.487 483 H HIS 65 H HIS 65 -7.699 -2.019 1.712 484 HA HIS 65 HA HIS 65 -7.961 -3.194 -0.973 485 HB2 HIS 65 2HB HIS 65 -5.409 -3.348 0.531 486 HB3 HIS 65 1HB HIS 65 -5.676 -3.248 -1.206 487 HD1 HIS 65 1HD HIS 65 -7.699 -0.677 -0.149 488 HD2 HIS 65 2HD HIS 65 -3.597 -1.194 -0.128 489 HE1 HIS 65 1HE HIS 65 -6.750 1.561 0.374 490 H PHE 66 H PHE 66 -8.992 -4.340 1.773 491 HA PHE 66 HA PHE 66 -7.922 -7.008 1.213 492 HB2 PHE 66 2HB PHE 66 -8.588 -6.027 4.000 493 HB3 PHE 66 1HB PHE 66 -7.838 -7.549 3.569 494 HD1 PHE 66 2HD PHE 66 -7.232 -3.843 3.636 495 HD2 PHE 66 1HD PHE 66 -5.571 -7.765 3.336 496 HE1 PHE 66 2HE PHE 66 -4.958 -2.915 3.862 497 HE2 PHE 66 1HE PHE 66 -3.316 -6.825 3.571 498 HZ PHE 66 HZ PHE 66 -2.993 -4.428 3.824 499 H GLN 67 H GLN 67 -9.564 -8.845 1.991 500 HA GLN 67 HA GLN 67 -12.279 -7.808 1.677 501 HB2 GLN 67 2HB GLN 67 -10.966 -9.879 0.420 502 HB3 GLN 67 1HB GLN 67 -11.921 -10.712 1.633 503 HG2 GLN 67 2HG GLN 67 -13.792 -10.420 0.494 504 HG3 GLN 67 1HG GLN 67 -13.489 -8.694 0.302 505 HE21 GLN 67 1HE2 GLN 67 -11.188 -8.704 -1.177 506 HE22 GLN 67 2HE2 GLN 67 -11.492 -9.398 -2.729 507 H GLY 68 H GLY 68 -13.009 -7.490 4.125 508 HA2 GLY 68 2HA GLY 68 -13.120 -8.076 6.357 509 HA3 GLY 68 1HA GLY 68 -13.813 -9.518 5.630 510 H GLY 69 H GLY 69 -12.888 -10.376 7.825 511 HA2 GLY 69 2HA GLY 69 -11.464 -11.945 8.677 512 HA3 GLY 69 1HA GLY 69 -10.512 -11.859 7.215 513 H ARG 70 H ARG 70 -9.013 -9.745 7.115 514 HA ARG 70 HA ARG 70 -7.749 -8.120 8.215 515 HB2 ARG 70 2HB ARG 70 -7.746 -7.761 10.486 516 HB3 ARG 70 1HB ARG 70 -9.312 -8.531 10.298 517 HG2 ARG 70 2HG ARG 70 -7.968 -10.720 10.817 518 HG3 ARG 70 1HG ARG 70 -6.809 -9.598 11.517 519 HD2 ARG 70 2HD ARG 70 -8.041 -9.663 13.372 520 HD3 ARG 70 1HD ARG 70 -9.244 -8.720 12.493 521 HE ARG 70 HE ARG 70 -10.572 -10.583 12.370 522 HH11 ARG 70 1HH1 ARG 70 -7.352 -11.546 13.313 523 HH12 ARG 70 2HH1 ARG 70 -7.809 -13.179 13.668 524 HH21 ARG 70 1HH2 ARG 70 -11.175 -12.730 12.837 525 HH22 ARG 70 2HH2 ARG 70 -9.979 -13.850 13.397 526 H LYS 71 H LYS 71 -7.090 -10.610 6.947 527 HA LYS 71 HA LYS 71 -5.154 -11.699 6.418 528 HB2 LYS 71 2HB LYS 71 -4.200 -9.610 8.043 529 HB3 LYS 71 1HB LYS 71 -3.429 -11.081 8.621 530 HG2 LYS 71 2HG LYS 71 -2.043 -11.076 6.883 531 HG3 LYS 71 1HG LYS 71 -3.394 -11.072 5.766 532 HD2 LYS 71 2HD LYS 71 -2.717 -8.513 7.094 533 HD3 LYS 71 1HD LYS 71 -1.663 -9.081 5.791 534 HE2 LYS 71 2HE LYS 71 -4.623 -9.131 5.410 535 HE3 LYS 71 1HE LYS 71 -3.764 -7.599 5.274 536 HZ1 LYS 71 3HZ LYS 71 -3.130 -10.058 3.731 537 HZ2 LYS 71 1HZ LYS 71 -2.349 -8.564 3.576 538 HZ3 LYS 71 2HZ LYS 71 -3.972 -8.722 3.126 539 H THR 72 H THR 72 -6.151 -13.620 6.808 540 HA THR 72 HA THR 72 -5.093 -15.181 8.983 541 HB THR 72 HB THR 72 -6.969 -14.422 10.202 542 HG1 THR 72 1HG THR 72 -7.925 -16.766 8.932 543 HG21 THR 72 3HG2 THR 72 -8.311 -14.333 7.595 544 HG22 THR 72 1HG2 THR 72 -8.524 -13.323 9.028 545 HG23 THR 72 2HG2 THR 72 -9.308 -14.901 8.935 546 H TYR 73 H TYR 73 -4.266 -15.725 6.696 547 HA TYR 73 HA TYR 73 -4.029 -17.417 5.186 548 HB2 TYR 73 2HB TYR 73 -5.368 -18.748 7.022 549 HB3 TYR 73 1HB TYR 73 -6.705 -18.589 5.890 550 HD1 TYR 73 1HD TYR 73 -3.084 -19.163 5.212 551 HD2 TYR 73 2HD TYR 73 -7.035 -20.734 5.045 552 HE1 TYR 73 1HE TYR 73 -2.253 -21.111 3.963 553 HE2 TYR 73 2HE TYR 73 -6.213 -22.685 3.796 554 HH TYR 73 HH TYR 73 -4.088 -23.099 2.217 555 H THR 74 H THR 74 -5.584 -18.425 3.259 556 HA THR 74 HA THR 74 -6.782 -17.975 1.395 557 HB THR 74 HB THR 74 -8.395 -15.735 2.109 558 HG1 THR 74 1HG THR 74 -8.185 -17.715 4.131 559 HG21 THR 74 3HG2 THR 74 -9.448 -17.251 0.763 560 HG22 THR 74 1HG2 THR 74 -10.136 -17.658 2.335 561 HG23 THR 74 2HG2 THR 74 -8.838 -18.643 1.661 562 H VAL 75 H VAL 75 -6.026 -14.851 3.008 563 HA VAL 75 HA VAL 75 -5.093 -13.913 0.387 564 HB VAL 75 HB VAL 75 -5.699 -11.892 2.473 565 HG11 VAL 75 1HG1 VAL 75 -5.706 -10.530 0.699 566 HG12 VAL 75 2HG1 VAL 75 -6.786 -11.588 -0.213 567 HG13 VAL 75 3HG1 VAL 75 -5.054 -11.894 -0.205 568 HG21 VAL 75 3HG2 VAL 75 -8.051 -11.859 2.112 569 HG22 VAL 75 1HG2 VAL 75 -7.615 -13.494 2.616 570 HG23 VAL 75 2HG2 VAL 75 -7.948 -13.157 0.916 571 H ARG 76 H ARG 76 -2.944 -13.615 0.210 572 HA ARG 76 HA ARG 76 -1.396 -13.159 2.674 573 HB2 ARG 76 2HB ARG 76 -0.820 -15.173 1.311 574 HB3 ARG 76 1HB ARG 76 -0.389 -14.119 -0.023 575 HG2 ARG 76 2HG ARG 76 1.262 -13.039 1.620 576 HG3 ARG 76 1HG ARG 76 0.991 -14.477 2.607 577 HD2 ARG 76 2HD ARG 76 2.372 -15.664 1.334 578 HD3 ARG 76 1HD ARG 76 1.446 -15.260 -0.108 579 HE ARG 76 HE ARG 76 3.190 -13.147 0.716 580 HH11 ARG 76 1HH1 ARG 76 3.024 -16.154 -1.045 581 HH12 ARG 76 2HH1 ARG 76 4.382 -15.787 -2.053 582 HH21 ARG 76 1HH2 ARG 76 4.978 -12.661 -0.610 583 HH22 ARG 76 2HH2 ARG 76 5.493 -13.801 -1.805 584 H VAL 77 H VAL 77 -1.823 -12.009 -0.673 585 HA VAL 77 HA VAL 77 -0.575 -9.467 0.138 586 HB VAL 77 HB VAL 77 0.760 -9.435 -1.687 587 HG11 VAL 77 1HG1 VAL 77 0.861 -11.867 -1.016 588 HG12 VAL 77 2HG1 VAL 77 1.434 -11.453 -2.632 589 HG13 VAL 77 3HG1 VAL 77 -0.159 -12.185 -2.420 590 HG21 VAL 77 3HG2 VAL 77 -0.011 -9.786 -3.970 591 HG22 VAL 77 1HG2 VAL 77 -1.097 -8.719 -3.080 592 HG23 VAL 77 2HG2 VAL 77 -1.549 -10.401 -3.360 593 HA PRO 78 HA PRO 78 -4.764 -7.996 -0.604 594 HB2 PRO 78 2HB PRO 78 -3.334 -5.397 -0.761 595 HB3 PRO 78 1HB PRO 78 -4.745 -5.848 0.189 596 HG2 PRO 78 2HG PRO 78 -2.455 -5.619 1.415 597 HG3 PRO 78 1HG PRO 78 -3.432 -7.072 1.722 598 HD2 PRO 78 2HD PRO 78 -1.115 -6.750 -0.158 599 HD3 PRO 78 1HD PRO 78 -1.373 -7.977 1.118 600 H THR 79 H THR 79 -4.429 -8.982 -3.077 601 HA THR 79 HA THR 79 -4.211 -6.482 -4.631 602 HB THR 79 HB THR 79 -4.602 -8.753 -6.338 603 HG1 THR 79 1HG THR 79 -3.759 -10.182 -4.990 604 HG21 THR 79 3HG2 THR 79 -2.492 -6.732 -5.877 605 HG22 THR 79 1HG2 THR 79 -3.344 -7.174 -7.358 606 HG23 THR 79 2HG2 THR 79 -2.045 -8.201 -6.746 607 H ILE 80 H ILE 80 -5.952 -5.556 -4.512 608 HA ILE 80 HA ILE 80 -8.447 -6.717 -5.499 609 HB ILE 80 HB ILE 80 -7.985 -5.087 -3.012 610 HG12 ILE 80 2HG1 ILE 80 -8.510 -7.579 -3.070 611 HG13 ILE 80 1HG1 ILE 80 -9.506 -6.609 -2.004 612 HG21 ILE 80 1HG2 ILE 80 -9.993 -3.980 -2.952 613 HG22 ILE 80 2HG2 ILE 80 -10.740 -5.022 -4.156 614 HG23 ILE 80 3HG2 ILE 80 -9.569 -3.808 -4.643 615 HD11 ILE 80 3HD1 ILE 80 -11.333 -7.302 -3.003 616 HD12 ILE 80 1HD1 ILE 80 -10.344 -8.370 -4.001 617 HD13 ILE 80 2HD1 ILE 80 -10.738 -6.747 -4.572 618 H PHE 81 H PHE 81 -9.424 -5.165 -7.120 619 HA PHE 81 HA PHE 81 -9.318 -3.417 -8.604 620 HB2 PHE 81 2HB PHE 81 -8.072 -1.285 -7.874 621 HB3 PHE 81 1HB PHE 81 -9.451 -1.762 -6.898 622 HD1 PHE 81 1HD PHE 81 -5.721 -1.717 -6.992 623 HD2 PHE 81 2HD PHE 81 -9.216 -2.198 -4.600 624 HE1 PHE 81 1HE PHE 81 -4.320 -1.733 -4.949 625 HE2 PHE 81 2HE PHE 81 -7.833 -2.229 -2.573 626 HZ PHE 81 HZ PHE 81 -5.384 -2.041 -2.722 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 3.232 21.625 1.731 2 H2 GLY 1 2HT GLY 1 4.139 22.271 0.458 3 H3 GLY 1 3HT GLY 1 4.920 21.510 1.752 4 HA2 GLY 1 1HA GLY 1 3.041 20.117 -0.069 5 HA3 GLY 1 2HA GLY 1 4.779 20.154 -0.324 6 H SER 2 H SER 2 3.564 17.747 -0.085 7 HA SER 2 HA SER 2 4.564 16.825 2.517 8 HB2 SER 2 2HB SER 2 2.701 15.414 2.895 9 HB3 SER 2 1HB SER 2 2.008 16.958 2.402 10 HG SER 2 HG SER 2 1.253 14.874 1.369 11 HA PRO 3 HA PRO 3 6.728 13.895 -0.007 12 HB2 PRO 3 2HB PRO 3 7.514 12.149 1.879 13 HB3 PRO 3 1HB PRO 3 8.178 13.786 1.790 14 HG2 PRO 3 2HG PRO 3 6.046 12.703 3.590 15 HG3 PRO 3 1HG PRO 3 7.398 13.782 3.981 16 HD2 PRO 3 2HD PRO 3 4.843 14.654 3.550 17 HD3 PRO 3 1HD PRO 3 6.282 15.644 3.242 18 H GLY 4 H GLY 4 4.126 13.495 -0.530 19 HA2 GLY 4 2HA GLY 4 2.843 11.222 0.364 20 HA3 GLY 4 1HA GLY 4 2.666 11.895 -1.253 21 H PHE 5 H PHE 5 2.372 9.267 -1.384 22 HA PHE 5 HA PHE 5 4.814 8.369 -2.641 23 HB2 PHE 5 2HB PHE 5 3.831 6.323 -0.762 24 HB3 PHE 5 1HB PHE 5 5.464 6.735 -1.243 25 HD1 PHE 5 2HD PHE 5 2.681 7.781 0.961 26 HD2 PHE 5 1HD PHE 5 6.844 8.025 0.117 27 HE1 PHE 5 2HE PHE 5 3.049 8.898 3.122 28 HE2 PHE 5 1HE PHE 5 7.222 9.134 2.280 29 HZ PHE 5 HZ PHE 5 5.322 9.573 3.786 30 H THR 6 H THR 6 1.483 8.401 -2.711 31 HA THR 6 HA THR 6 -0.091 7.382 -4.012 32 HB THR 6 HB THR 6 1.876 5.935 -5.674 33 HG1 THR 6 1HG THR 6 1.961 8.726 -5.269 34 HG21 THR 6 3HG2 THR 6 -0.519 6.317 -6.304 35 HG22 THR 6 1HG2 THR 6 0.674 6.829 -7.497 36 HG23 THR 6 2HG2 THR 6 -0.121 8.027 -6.474 37 H CYS 7 H CYS 7 -1.343 5.732 -3.276 38 HA CYS 7 HA CYS 7 -0.072 3.239 -2.379 39 HB2 CYS 7 2HB CYS 7 -1.656 3.977 -0.752 40 HB3 CYS 7 1HB CYS 7 -2.918 4.292 -1.935 41 H CYS 8 H CYS 8 -0.470 4.115 -5.285 42 HA CYS 8 HA CYS 8 -1.230 3.220 -7.260 43 HB2 CYS 8 2HB CYS 8 0.332 1.493 -6.814 44 HB3 CYS 8 1HB CYS 8 -0.646 0.805 -5.533 45 HG CYS 8 HG CYS 8 -0.972 0.277 -8.553 46 H VAL 9 H VAL 9 -3.040 4.124 -5.319 47 HA VAL 9 HA VAL 9 -5.297 2.384 -5.087 48 HB VAL 9 HB VAL 9 -4.919 3.842 -3.269 49 HG11 VAL 9 1HG1 VAL 9 -5.022 6.433 -3.976 50 HG12 VAL 9 2HG1 VAL 9 -4.203 5.723 -5.367 51 HG13 VAL 9 3HG1 VAL 9 -3.544 5.499 -3.746 52 HG21 VAL 9 3HG2 VAL 9 -7.285 3.849 -3.644 53 HG22 VAL 9 1HG2 VAL 9 -7.144 5.080 -4.892 54 HG23 VAL 9 2HG2 VAL 9 -6.806 5.479 -3.199 55 HA PRO 10 HA PRO 10 -6.737 3.839 -9.167 56 HB2 PRO 10 2HB PRO 10 -8.410 1.767 -9.597 57 HB3 PRO 10 1HB PRO 10 -6.666 1.612 -9.853 58 HG2 PRO 10 2HG PRO 10 -8.315 0.760 -7.497 59 HG3 PRO 10 1HG PRO 10 -7.032 -0.126 -8.340 60 HD2 PRO 10 2HD PRO 10 -6.599 1.202 -6.014 61 HD3 PRO 10 1HD PRO 10 -5.357 1.018 -7.266 62 H GLY 11 H GLY 11 -8.138 3.103 -6.175 63 HA2 GLY 11 2HA GLY 11 -10.026 5.139 -6.200 64 HA3 GLY 11 1HA GLY 11 -10.852 3.646 -6.624 65 H CYS 12 H CYS 12 -8.341 2.679 -4.657 66 HA CYS 12 HA CYS 12 -10.114 2.117 -2.582 67 HB2 CYS 12 2HB CYS 12 -8.085 1.475 -1.207 68 HB3 CYS 12 1HB CYS 12 -8.366 0.573 -2.678 69 H TYR 13 H TYR 13 -10.796 3.109 -0.949 70 HA TYR 13 HA TYR 13 -11.347 5.285 -0.154 71 HB2 TYR 13 2HB TYR 13 -10.164 3.268 1.428 72 HB3 TYR 13 1HB TYR 13 -9.800 4.844 2.117 73 HD1 TYR 13 1HD TYR 13 -12.895 4.114 0.239 74 HD2 TYR 13 2HD TYR 13 -11.128 4.619 4.078 75 HE1 TYR 13 1HE TYR 13 -15.134 4.213 1.252 76 HE2 TYR 13 2HE TYR 13 -13.362 4.717 5.099 77 HH TYR 13 HH TYR 13 -15.620 4.079 4.654 78 H ASN 14 H ASN 14 -7.894 4.832 0.337 79 HA ASN 14 HA ASN 14 -7.606 7.728 0.154 80 HB2 ASN 14 2HB ASN 14 -5.539 7.125 1.640 81 HB3 ASN 14 1HB ASN 14 -7.021 7.653 2.294 82 HD21 ASN 14 1HD2 ASN 14 -8.226 4.965 1.731 83 HD22 ASN 14 2HD2 ASN 14 -7.567 3.918 2.903 84 H ASN 15 H ASN 15 -5.382 8.627 -0.513 85 HA ASN 15 HA ASN 15 -4.126 6.666 -2.269 86 HB2 ASN 15 2HB ASN 15 -5.167 9.011 -3.042 87 HB3 ASN 15 1HB ASN 15 -3.578 9.589 -2.566 88 HD21 ASN 15 1HD2 ASN 15 -1.753 8.169 -3.480 89 HD22 ASN 15 2HD2 ASN 15 -1.893 7.770 -5.152 90 H SER 16 H SER 16 -1.548 6.695 -2.210 91 HA SER 16 HA SER 16 -0.656 7.149 0.439 92 HB2 SER 16 2HB SER 16 0.324 5.236 -0.602 93 HB3 SER 16 1HB SER 16 0.579 6.095 -2.080 94 HG SER 16 HG SER 16 2.120 6.029 0.195 95 H HIS 17 H HIS 17 -0.873 9.257 -2.271 96 HA HIS 17 HA HIS 17 0.985 11.099 -0.959 97 HB2 HIS 17 2HB HIS 17 1.910 11.833 -3.067 98 HB3 HIS 17 1HB HIS 17 2.103 10.093 -2.962 99 HD1 HIS 17 1HD HIS 17 2.279 11.220 -5.696 100 HD2 HIS 17 2HD HIS 17 -1.358 10.150 -3.996 101 HE1 HIS 17 1HE HIS 17 0.718 10.841 -7.630 102 HE2 HIS 17 2HE HIS 17 -1.466 10.152 -6.579 103 H ARG 18 H ARG 18 -2.092 10.583 -2.205 104 HA ARG 18 HA ARG 18 -2.526 13.439 -2.692 105 HB2 ARG 18 2HB ARG 18 -3.190 11.758 -4.441 106 HB3 ARG 18 1HB ARG 18 -4.403 11.162 -3.319 107 HG2 ARG 18 2HG ARG 18 -4.535 14.043 -3.693 108 HG3 ARG 18 1HG ARG 18 -4.756 13.138 -5.192 109 HD2 ARG 18 2HD ARG 18 -6.235 11.875 -3.094 110 HD3 ARG 18 1HD ARG 18 -6.634 13.592 -3.135 111 HE ARG 18 HE ARG 18 -7.621 13.300 -5.198 112 HH11 ARG 18 1HH1 ARG 18 -5.911 10.390 -4.292 113 HH12 ARG 18 2HH1 ARG 18 -6.628 9.432 -5.542 114 HH21 ARG 18 1HH2 ARG 18 -8.557 12.038 -6.843 115 HH22 ARG 18 2HH2 ARG 18 -8.128 10.367 -6.991 116 H ASP 19 H ASP 19 -2.320 12.194 0.007 117 HA ASP 19 HA ASP 19 -4.401 13.616 1.200 118 HB2 ASP 19 2HB ASP 19 -6.031 12.103 0.711 119 HB3 ASP 19 1HB ASP 19 -4.947 10.727 0.759 120 H LYS 20 H LYS 20 -2.669 10.623 2.093 121 HA LYS 20 HA LYS 20 -1.313 10.130 3.846 122 HB2 LYS 20 2HB LYS 20 0.367 11.600 4.288 123 HB3 LYS 20 1HB LYS 20 -0.281 12.352 2.843 124 HG2 LYS 20 2HG LYS 20 -0.480 14.237 3.982 125 HG3 LYS 20 1HG LYS 20 -1.717 13.471 4.976 126 HD2 LYS 20 2HD LYS 20 0.059 12.637 6.481 127 HD3 LYS 20 1HD LYS 20 1.253 13.497 5.506 128 HE2 LYS 20 2HE LYS 20 0.912 15.109 7.057 129 HE3 LYS 20 1HE LYS 20 -0.439 15.512 5.999 130 HZ1 LYS 20 3HZ LYS 20 -1.494 15.397 7.998 131 HZ2 LYS 20 1HZ LYS 20 -0.456 14.216 8.625 132 HZ3 LYS 20 2HZ LYS 20 -1.660 13.783 7.519 133 H ALA 21 H ALA 21 -4.184 11.231 4.218 134 HA ALA 21 HA ALA 21 -4.077 11.722 7.107 135 HB1 ALA 21 1HB ALA 21 -5.508 13.359 6.800 136 HB2 ALA 21 2HB ALA 21 -6.672 12.268 6.050 137 HB3 ALA 21 3HB ALA 21 -5.440 13.058 5.065 138 H LEU 22 H LEU 22 -6.092 9.743 4.799 139 HA LEU 22 HA LEU 22 -7.777 8.626 6.667 140 HB2 LEU 22 2HB LEU 22 -6.859 7.147 4.194 141 HB3 LEU 22 1HB LEU 22 -8.477 7.201 4.896 142 HG LEU 22 HG LEU 22 -7.216 8.969 2.933 143 HD11 LEU 22 1HD1 LEU 22 -9.829 7.746 3.531 144 HD12 LEU 22 2HD1 LEU 22 -9.013 7.993 1.985 145 HD13 LEU 22 3HD1 LEU 22 -9.876 9.326 2.749 146 HD21 LEU 22 3HD2 LEU 22 -8.965 10.729 3.806 147 HD22 LEU 22 1HD2 LEU 22 -7.280 10.724 4.300 148 HD23 LEU 22 2HD2 LEU 22 -8.500 10.022 5.352 149 H HIS 23 H HIS 23 -7.110 5.557 6.286 150 HA HIS 23 HA HIS 23 -5.221 5.536 8.456 151 HB2 HIS 23 2HB HIS 23 -7.574 4.202 7.955 152 HB3 HIS 23 1HB HIS 23 -6.377 2.990 7.523 153 HD1 HIS 23 1HD HIS 23 -7.890 4.721 10.425 154 HD2 HIS 23 2HD HIS 23 -4.735 2.121 9.689 155 HE1 HIS 23 1HE HIS 23 -7.210 3.833 12.677 156 HE2 HIS 23 2HE HIS 23 -5.251 2.320 12.214 157 H PHE 24 H PHE 24 -3.134 4.358 8.285 158 HA PHE 24 HA PHE 24 -2.628 3.265 5.635 159 HB2 PHE 24 2HB PHE 24 -0.759 4.968 7.259 160 HB3 PHE 24 1HB PHE 24 -0.300 4.089 5.819 161 HD1 PHE 24 2HD PHE 24 -2.229 6.935 7.106 162 HD2 PHE 24 1HD PHE 24 -0.944 4.868 3.612 163 HE1 PHE 24 2HE PHE 24 -2.859 8.869 5.714 164 HE2 PHE 24 1HE PHE 24 -1.530 6.787 2.236 165 HZ PHE 24 HZ PHE 24 -2.512 8.797 3.265 166 H TYR 25 H TYR 25 -1.882 1.044 5.734 167 HA TYR 25 HA TYR 25 -1.079 0.016 8.308 168 HB2 TYR 25 2HB TYR 25 -1.343 -1.376 5.616 169 HB3 TYR 25 1HB TYR 25 -0.930 -2.180 7.120 170 HD1 TYR 25 2HD TYR 25 -3.577 0.240 6.020 171 HD2 TYR 25 1HD TYR 25 -2.638 -3.386 8.034 172 HE1 TYR 25 2HE TYR 25 -5.960 -0.094 6.514 173 HE2 TYR 25 1HE TYR 25 -5.019 -3.733 8.534 174 HH TYR 25 HH TYR 25 -7.476 -2.057 7.019 175 H THR 26 H THR 26 1.121 -1.165 8.538 176 HA THR 26 HA THR 26 3.080 0.286 6.903 177 HB THR 26 HB THR 26 4.350 0.526 8.758 178 HG1 THR 26 1HG THR 26 3.745 -2.151 9.459 179 HG21 THR 26 3HG2 THR 26 3.301 0.429 10.902 180 HG22 THR 26 1HG2 THR 26 2.063 -0.670 10.295 181 HG23 THR 26 2HG2 THR 26 2.123 0.994 9.717 182 H PHE 27 H PHE 27 5.286 -0.994 6.737 183 HA PHE 27 HA PHE 27 4.621 -3.271 5.199 184 HB2 PHE 27 2HB PHE 27 6.507 -1.251 5.170 185 HB3 PHE 27 1HB PHE 27 7.391 -2.757 5.139 186 HD1 PHE 27 2HD PHE 27 4.058 -2.242 3.626 187 HD2 PHE 27 1HD PHE 27 8.243 -2.550 2.978 188 HE1 PHE 27 2HE PHE 27 3.681 -2.434 1.204 189 HE2 PHE 27 1HE PHE 27 7.868 -2.763 0.580 190 HZ PHE 27 HZ PHE 27 5.567 -2.700 -0.320 191 HA PRO 28 HA PRO 28 5.817 -6.735 7.903 192 HB2 PRO 28 2HB PRO 28 7.027 -7.560 5.249 193 HB3 PRO 28 1HB PRO 28 6.214 -8.594 6.413 194 HG2 PRO 28 2HG PRO 28 4.881 -7.735 4.347 195 HG3 PRO 28 1HG PRO 28 4.113 -7.656 5.936 196 HD2 PRO 28 2HD PRO 28 5.183 -5.479 4.238 197 HD3 PRO 28 1HD PRO 28 3.872 -5.477 5.409 198 H LYS 29 H LYS 29 7.960 -7.989 8.396 199 HA LYS 29 HA LYS 29 10.127 -6.066 8.547 200 HB2 LYS 29 2HB LYS 29 11.184 -8.150 9.773 201 HB3 LYS 29 1HB LYS 29 10.025 -7.105 10.582 202 HG2 LYS 29 2HG LYS 29 8.419 -8.712 10.623 203 HG3 LYS 29 1HG LYS 29 8.959 -9.447 9.112 204 HD2 LYS 29 2HD LYS 29 10.488 -10.779 10.146 205 HD3 LYS 29 1HD LYS 29 10.803 -9.608 11.427 206 HE2 LYS 29 2HE LYS 29 8.651 -10.165 12.456 207 HE3 LYS 29 1HE LYS 29 8.343 -11.337 11.176 208 HZ1 LYS 29 3HZ LYS 29 9.357 -12.084 13.442 209 HZ2 LYS 29 1HZ LYS 29 10.812 -11.573 12.745 210 HZ3 LYS 29 2HZ LYS 29 9.894 -12.781 11.998 211 H ASP 30 H ASP 30 9.309 -8.866 6.759 212 HA ASP 30 HA ASP 30 11.995 -9.507 5.913 213 HB2 ASP 30 2HB ASP 30 9.930 -10.599 4.210 214 HB3 ASP 30 1HB ASP 30 11.030 -11.472 5.264 215 H ALA 31 H ALA 31 13.073 -8.238 4.468 216 HA ALA 31 HA ALA 31 12.142 -6.154 3.070 217 HB1 ALA 31 1HB ALA 31 14.388 -6.232 3.079 218 HB2 ALA 31 2HB ALA 31 14.123 -6.771 1.428 219 HB3 ALA 31 3HB ALA 31 14.476 -7.947 2.701 220 H GLU 32 H GLU 32 12.621 -9.308 1.231 221 HA GLU 32 HA GLU 32 11.310 -8.402 -1.065 222 HB2 GLU 32 2HB GLU 32 12.544 -10.431 -1.129 223 HB3 GLU 32 1HB GLU 32 11.562 -11.236 0.022 224 HG2 GLU 32 2HG GLU 32 10.292 -10.251 -2.476 225 HG3 GLU 32 1HG GLU 32 11.330 -11.675 -2.557 226 H LEU 33 H LEU 33 9.525 -10.452 1.421 227 HA LEU 33 HA LEU 33 7.124 -10.253 0.229 228 HB2 LEU 33 2HB LEU 33 7.745 -11.061 2.639 229 HB3 LEU 33 1HB LEU 33 7.350 -9.437 3.116 230 HG LEU 33 HG LEU 33 5.209 -9.917 3.205 231 HD11 LEU 33 1HD1 LEU 33 3.935 -10.806 1.287 232 HD12 LEU 33 2HD1 LEU 33 5.450 -11.108 0.444 233 HD13 LEU 33 3HD1 LEU 33 4.975 -9.459 0.835 234 HD21 LEU 33 3HD2 LEU 33 6.318 -12.602 2.618 235 HD22 LEU 33 1HD2 LEU 33 4.576 -12.385 2.756 236 HD23 LEU 33 2HD2 LEU 33 5.623 -11.973 4.111 237 H ARG 34 H ARG 34 8.885 -7.763 1.796 238 HA ARG 34 HA ARG 34 6.988 -5.700 1.821 239 HB2 ARG 34 2HB ARG 34 8.624 -4.363 2.657 240 HB3 ARG 34 1HB ARG 34 9.448 -5.886 2.870 241 HG2 ARG 34 2HG ARG 34 11.156 -5.009 1.773 242 HG3 ARG 34 1HG ARG 34 10.182 -5.035 0.317 243 HD2 ARG 34 2HD ARG 34 10.421 -2.842 0.243 244 HD3 ARG 34 1HD ARG 34 9.361 -2.758 1.639 245 HE ARG 34 HE ARG 34 11.148 -2.186 2.928 246 HH11 ARG 34 1HH1 ARG 34 12.325 -3.603 -0.033 247 HH12 ARG 34 2HH1 ARG 34 13.984 -3.243 0.308 248 HH21 ARG 34 1HH2 ARG 34 13.325 -1.711 3.380 249 HH22 ARG 34 2HH2 ARG 34 14.553 -2.168 2.247 250 H ARG 35 H ARG 35 9.587 -6.218 -0.508 251 HA ARG 35 HA ARG 35 8.709 -4.233 -2.232 252 HB2 ARG 35 2HB ARG 35 10.148 -5.080 -3.873 253 HB3 ARG 35 1HB ARG 35 10.928 -5.460 -2.352 254 HG2 ARG 35 2HG ARG 35 11.213 -7.306 -3.795 255 HG3 ARG 35 1HG ARG 35 10.047 -7.794 -2.578 256 HD2 ARG 35 2HD ARG 35 8.453 -8.133 -4.121 257 HD3 ARG 35 1HD ARG 35 8.795 -6.599 -4.918 258 HE ARG 35 HE ARG 35 9.608 -9.156 -5.779 259 HH11 ARG 35 1HH1 ARG 35 10.799 -5.889 -5.508 260 HH12 ARG 35 2HH1 ARG 35 11.897 -6.044 -6.838 261 HH21 ARG 35 1HH2 ARG 35 11.052 -9.365 -7.528 262 HH22 ARG 35 2HH2 ARG 35 12.041 -8.017 -7.985 263 H LEU 36 H LEU 36 7.578 -7.532 -1.688 264 HA LEU 36 HA LEU 36 6.022 -7.643 -4.104 265 HB2 LEU 36 2HB LEU 36 5.533 -8.943 -1.424 266 HB3 LEU 36 1HB LEU 36 4.515 -9.203 -2.820 267 HG LEU 36 HG LEU 36 7.469 -9.782 -2.837 268 HD11 LEU 36 1HD1 LEU 36 5.236 -11.314 -1.694 269 HD12 LEU 36 2HD1 LEU 36 6.965 -11.401 -1.360 270 HD13 LEU 36 3HD1 LEU 36 6.299 -12.216 -2.774 271 HD21 LEU 36 3HD2 LEU 36 6.652 -9.585 -5.037 272 HD22 LEU 36 1HD2 LEU 36 5.160 -10.440 -4.645 273 HD23 LEU 36 2HD2 LEU 36 6.689 -11.316 -4.703 274 H TRP 37 H TRP 37 5.147 -6.354 -0.887 275 HA TRP 37 HA TRP 37 2.559 -5.617 -1.728 276 HB2 TRP 37 2HB TRP 37 4.399 -4.596 0.418 277 HB3 TRP 37 1HB TRP 37 2.846 -3.833 0.108 278 HD1 TRP 37 HD TRP 37 3.240 -7.597 -0.210 279 HE1 TRP 37 1HE TRP 37 1.962 -8.753 1.738 280 HE3 TRP 37 3HE TRP 37 1.825 -3.466 2.435 281 HZ2 TRP 37 2HZ TRP 37 0.555 -7.973 4.083 282 HZ3 TRP 37 3HZ TRP 37 0.571 -3.733 4.487 283 HH2 TRP 37 HH TRP 37 -0.071 -5.923 5.295 284 H LEU 38 H LEU 38 5.785 -3.999 -1.970 285 HA LEU 38 HA LEU 38 5.193 -1.438 -2.650 286 HB2 LEU 38 2HB LEU 38 7.081 -3.342 -4.070 287 HB3 LEU 38 1HB LEU 38 6.953 -1.669 -4.480 288 HG LEU 38 HG LEU 38 8.055 -2.904 -2.019 289 HD11 LEU 38 1HD1 LEU 38 9.560 -2.406 -3.849 290 HD12 LEU 38 2HD1 LEU 38 9.887 -1.356 -2.471 291 HD13 LEU 38 3HD1 LEU 38 9.007 -0.732 -3.864 292 HD21 LEU 38 3HD2 LEU 38 8.077 -0.738 -0.911 293 HD22 LEU 38 1HD2 LEU 38 6.423 -1.264 -1.218 294 HD23 LEU 38 2HD2 LEU 38 7.160 -0.037 -2.245 295 H LYS 39 H LYS 39 4.951 -4.361 -4.824 296 HA LYS 39 HA LYS 39 3.969 -3.239 -7.072 297 HB2 LYS 39 2HB LYS 39 3.846 -5.840 -5.705 298 HB3 LYS 39 1HB LYS 39 2.612 -5.609 -6.920 299 HG2 LYS 39 2HG LYS 39 4.771 -6.742 -7.583 300 HG3 LYS 39 1HG LYS 39 4.200 -5.435 -8.632 301 HD2 LYS 39 2HD LYS 39 5.761 -3.998 -7.030 302 HD3 LYS 39 1HD LYS 39 6.553 -5.557 -6.811 303 HE2 LYS 39 2HE LYS 39 5.971 -4.347 -9.505 304 HE3 LYS 39 1HE LYS 39 7.492 -4.120 -8.645 305 HZ1 LYS 39 3HZ LYS 39 6.491 -6.443 -10.054 306 HZ2 LYS 39 1HZ LYS 39 7.242 -6.777 -8.574 307 HZ3 LYS 39 2HZ LYS 39 8.085 -5.945 -9.781 308 H ASN 40 H ASN 40 1.812 -4.590 -4.580 309 HA ASN 40 HA ASN 40 -0.562 -3.721 -5.697 310 HB2 ASN 40 2HB ASN 40 -0.721 -3.714 -2.797 311 HB3 ASN 40 1HB ASN 40 -1.493 -4.776 -3.960 312 HD21 ASN 40 1HD2 ASN 40 -0.622 -5.617 -1.481 313 HD22 ASN 40 2HD2 ASN 40 0.688 -6.720 -1.679 314 H VAL 41 H VAL 41 1.488 -2.124 -3.385 315 HA VAL 41 HA VAL 41 -0.354 0.025 -3.070 316 HB VAL 41 HB VAL 41 1.572 -0.950 -1.413 317 HG11 VAL 41 1HG1 VAL 41 2.449 1.843 -2.001 318 HG12 VAL 41 2HG1 VAL 41 3.178 0.491 -2.856 319 HG13 VAL 41 3HG1 VAL 41 3.283 0.579 -1.099 320 HG21 VAL 41 3HG2 VAL 41 0.654 0.535 0.105 321 HG22 VAL 41 1HG2 VAL 41 -0.606 0.431 -1.125 322 HG23 VAL 41 2HG2 VAL 41 0.484 1.818 -1.093 323 H SER 42 H SER 42 2.303 -0.451 -5.291 324 HA SER 42 HA SER 42 1.923 1.496 -6.994 325 HB2 SER 42 2HB SER 42 1.571 3.456 -5.865 326 HB3 SER 42 1HB SER 42 2.437 2.930 -4.401 327 HG SER 42 HG SER 42 3.757 3.638 -6.826 328 H ARG 43 H ARG 43 4.968 2.291 -5.125 329 HA ARG 43 HA ARG 43 7.099 1.585 -5.480 330 HB2 ARG 43 2HB ARG 43 7.421 -0.529 -6.130 331 HB3 ARG 43 1HB ARG 43 5.689 -0.629 -6.398 332 HG2 ARG 43 2HG ARG 43 6.550 0.463 -8.751 333 HG3 ARG 43 1HG ARG 43 7.899 -0.587 -8.318 334 HD2 ARG 43 2HD ARG 43 6.290 -2.445 -8.037 335 HD3 ARG 43 1HD ARG 43 5.004 -1.375 -8.589 336 HE ARG 43 HE ARG 43 7.306 -1.787 -10.341 337 HH11 ARG 43 1HH1 ARG 43 3.939 -2.428 -9.647 338 HH12 ARG 43 2HH1 ARG 43 3.584 -2.950 -11.259 339 HH21 ARG 43 1HH2 ARG 43 6.832 -2.478 -12.453 340 HH22 ARG 43 2HH2 ARG 43 5.224 -2.983 -12.849 341 H ALA 44 H ALA 44 5.031 2.399 -8.181 342 HA ALA 44 HA ALA 44 6.919 2.956 -10.149 343 HB1 ALA 44 1HB ALA 44 4.426 2.865 -10.406 344 HB2 ALA 44 2HB ALA 44 5.203 4.214 -11.235 345 HB3 ALA 44 3HB ALA 44 4.352 4.485 -9.713 346 H GLY 45 H GLY 45 8.666 3.946 -8.446 347 HA2 GLY 45 2HA GLY 45 8.142 6.845 -8.232 348 HA3 GLY 45 1HA GLY 45 9.191 5.934 -7.165 349 H VAL 46 H VAL 46 8.921 6.105 -10.689 350 HA VAL 46 HA VAL 46 11.628 5.852 -11.251 351 HB VAL 46 HB VAL 46 9.499 5.816 -12.789 352 HG11 VAL 46 1HG1 VAL 46 9.253 8.365 -12.464 353 HG12 VAL 46 2HG1 VAL 46 9.044 7.683 -14.077 354 HG13 VAL 46 3HG1 VAL 46 10.562 8.474 -13.646 355 HG21 VAL 46 3HG2 VAL 46 12.113 6.797 -13.909 356 HG22 VAL 46 1HG2 VAL 46 10.924 5.749 -14.682 357 HG23 VAL 46 2HG2 VAL 46 11.863 5.156 -13.312 358 H SER 47 H SER 47 12.518 7.451 -9.432 359 HA SER 47 HA SER 47 12.629 9.750 -8.661 360 HB2 SER 47 2HB SER 47 14.786 8.763 -8.982 361 HB3 SER 47 1HB SER 47 14.681 8.929 -10.742 362 HG SER 47 HG SER 47 14.897 11.031 -8.841 363 H GLY 48 H GLY 48 13.608 10.043 -12.275 364 HA2 GLY 48 2HA GLY 48 13.256 11.905 -13.602 365 HA3 GLY 48 1HA GLY 48 11.588 11.435 -13.328 366 H CYS 49 H CYS 49 10.309 12.624 -11.935 367 HA CYS 49 HA CYS 49 11.481 15.154 -10.981 368 HB2 CYS 49 2HB CYS 49 8.595 14.811 -11.787 369 HB3 CYS 49 1HB CYS 49 9.492 16.309 -11.559 370 HG CYS 49 HG CYS 49 9.089 15.500 -14.149 371 H PHE 50 H PHE 50 8.800 15.782 -9.763 372 HA PHE 50 HA PHE 50 9.203 15.241 -7.133 373 HB2 PHE 50 2HB PHE 50 7.385 16.657 -8.100 374 HB3 PHE 50 1HB PHE 50 6.472 15.196 -8.465 375 HD1 PHE 50 2HD PHE 50 8.459 16.121 -5.454 376 HD2 PHE 50 1HD PHE 50 4.630 15.215 -7.076 377 HE1 PHE 50 2HE PHE 50 7.493 16.167 -3.190 378 HE2 PHE 50 1HE PHE 50 3.658 15.261 -4.816 379 HZ PHE 50 HZ PHE 50 5.090 15.737 -2.870 380 H SER 51 H SER 51 7.783 12.910 -9.547 381 HA SER 51 HA SER 51 6.747 11.062 -7.708 382 HB2 SER 51 2HB SER 51 6.498 11.233 -10.285 383 HB3 SER 51 1HB SER 51 7.949 10.230 -10.329 384 HG SER 51 HG SER 51 6.870 8.601 -9.363 385 H THR 52 H THR 52 8.892 11.470 -6.229 386 HA THR 52 HA THR 52 10.686 9.193 -6.761 387 HB THR 52 HB THR 52 12.517 10.402 -5.813 388 HG1 THR 52 1HG THR 52 11.547 11.531 -4.176 389 HG21 THR 52 3HG2 THR 52 11.791 12.777 -7.179 390 HG22 THR 52 1HG2 THR 52 11.184 11.394 -8.089 391 HG23 THR 52 2HG2 THR 52 12.898 11.500 -7.685 392 H PHE 53 H PHE 53 8.577 8.401 -5.421 393 HA PHE 53 HA PHE 53 8.921 8.877 -2.576 394 HB2 PHE 53 2HB PHE 53 6.871 7.466 -2.360 395 HB3 PHE 53 1HB PHE 53 6.654 8.902 -3.347 396 HD1 PHE 53 1HD PHE 53 7.633 5.311 -3.818 397 HD2 PHE 53 2HD PHE 53 5.444 8.664 -5.262 398 HE1 PHE 53 1HE PHE 53 6.732 3.928 -5.637 399 HE2 PHE 53 2HE PHE 53 4.537 7.284 -7.087 400 HZ PHE 53 HZ PHE 53 5.177 4.911 -7.269 401 H GLN 54 H GLN 54 11.045 7.452 -3.886 402 HA GLN 54 HA GLN 54 11.488 4.931 -4.033 403 HB2 GLN 54 2HB GLN 54 12.848 6.931 -2.345 404 HB3 GLN 54 1HB GLN 54 13.278 5.260 -2.024 405 HG2 GLN 54 2HG GLN 54 14.231 4.965 -4.096 406 HG3 GLN 54 1HG GLN 54 13.286 6.260 -4.831 407 HE21 GLN 54 1HE2 GLN 54 15.869 5.633 -2.507 408 HE22 GLN 54 2HE2 GLN 54 16.719 7.112 -2.780 409 HA PRO 55 HA PRO 55 9.235 2.765 -0.852 410 HB2 PRO 55 2HB PRO 55 10.686 0.341 -1.454 411 HB3 PRO 55 1HB PRO 55 9.009 0.747 -1.794 412 HG2 PRO 55 2HG PRO 55 10.971 0.495 -3.711 413 HG3 PRO 55 1HG PRO 55 9.453 1.378 -3.919 414 HD2 PRO 55 2HD PRO 55 12.193 2.405 -3.446 415 HD3 PRO 55 1HD PRO 55 10.834 3.153 -4.312 416 H THR 56 H THR 56 12.733 2.637 -1.109 417 HA THR 56 HA THR 56 13.452 1.279 1.190 418 HB THR 56 HB THR 56 15.216 2.026 -0.171 419 HG1 THR 56 1HG THR 56 15.308 3.855 1.985 420 HG21 THR 56 3HG2 THR 56 14.485 3.803 -1.444 421 HG22 THR 56 1HG2 THR 56 15.693 4.545 -0.395 422 HG23 THR 56 2HG2 THR 56 13.977 4.737 -0.037 423 H THR 57 H THR 57 12.237 4.707 0.875 424 HA THR 57 HA THR 57 12.696 5.504 3.506 425 HB THR 57 HB THR 57 11.972 6.991 1.645 426 HG1 THR 57 1HG THR 57 11.373 8.287 3.161 427 HG21 THR 57 3HG2 THR 57 9.872 5.238 1.312 428 HG22 THR 57 1HG2 THR 57 10.034 6.832 0.575 429 HG23 THR 57 2HG2 THR 57 9.130 6.643 2.078 430 H GLY 58 H GLY 58 10.210 3.436 2.148 431 HA2 GLY 58 2HA GLY 58 9.326 1.815 3.851 432 HA3 GLY 58 1HA GLY 58 9.060 3.217 4.854 433 H HIS 59 H HIS 59 7.740 1.550 1.891 434 HA HIS 59 HA HIS 59 5.645 3.517 1.716 435 HB2 HIS 59 2HB HIS 59 6.519 1.215 0.129 436 HB3 HIS 59 1HB HIS 59 4.769 1.342 0.249 437 HD1 HIS 59 1HD HIS 59 7.182 4.228 -0.019 438 HD2 HIS 59 2HD HIS 59 4.205 2.363 -2.263 439 HE1 HIS 59 1HE HIS 59 6.810 5.701 -2.013 440 HE2 HIS 59 2HE HIS 59 5.100 4.496 -3.411 441 H ARG 60 H ARG 60 3.571 3.305 2.305 442 HA ARG 60 HA ARG 60 2.927 1.162 4.228 443 HB2 ARG 60 2HB ARG 60 1.776 2.735 5.533 444 HB3 ARG 60 1HB ARG 60 3.176 3.618 4.977 445 HG2 ARG 60 2HG ARG 60 0.684 3.837 3.373 446 HG3 ARG 60 1HG ARG 60 0.811 4.712 4.895 447 HD2 ARG 60 2HD ARG 60 2.777 4.897 2.624 448 HD3 ARG 60 1HD ARG 60 1.515 6.072 2.976 449 HE ARG 60 HE ARG 60 4.026 5.762 4.342 450 HH11 ARG 60 1HH1 ARG 60 0.754 6.945 4.597 451 HH12 ARG 60 2HH1 ARG 60 1.130 8.084 5.844 452 HH21 ARG 60 1HH2 ARG 60 4.522 7.262 5.984 453 HH22 ARG 60 2HH2 ARG 60 3.267 8.264 6.632 454 H LEU 61 H LEU 61 0.374 0.854 4.350 455 HA LEU 61 HA LEU 61 -0.672 0.674 1.591 456 HB2 LEU 61 2HB LEU 61 -0.328 -1.197 3.739 457 HB3 LEU 61 1HB LEU 61 -2.045 -1.007 3.517 458 HG LEU 61 HG LEU 61 -0.213 -2.639 2.081 459 HD11 LEU 61 1HD1 LEU 61 -3.148 -2.259 2.159 460 HD12 LEU 61 2HD1 LEU 61 -2.172 -3.566 2.791 461 HD13 LEU 61 3HD1 LEU 61 -2.391 -3.412 1.057 462 HD21 LEU 61 3HD2 LEU 61 -1.440 -0.489 0.459 463 HD22 LEU 61 1HD2 LEU 61 -1.276 -2.119 -0.194 464 HD23 LEU 61 2HD2 LEU 61 0.151 -1.243 0.341 465 H CYS 62 H CYS 62 -3.242 0.989 1.413 466 HA CYS 62 HA CYS 62 -4.219 2.475 3.719 467 HB2 CYS 62 2HB CYS 62 -4.814 4.313 2.520 468 HB3 CYS 62 1HB CYS 62 -3.527 3.780 1.553 469 H SER 63 H SER 63 -6.799 2.812 3.465 470 HA SER 63 HA SER 63 -7.961 0.835 4.618 471 HB2 SER 63 2HB SER 63 -8.826 3.287 3.477 472 HB3 SER 63 1HB SER 63 -10.066 2.087 3.157 473 HG SER 63 HG SER 63 -9.767 1.539 5.488 474 H VAL 64 H VAL 64 -9.638 1.375 1.735 475 HA VAL 64 HA VAL 64 -10.964 -1.043 1.856 476 HB VAL 64 HB VAL 64 -12.122 -0.476 -0.129 477 HG11 VAL 64 1HG1 VAL 64 -11.990 1.070 2.120 478 HG12 VAL 64 2HG1 VAL 64 -13.182 1.249 0.832 479 HG13 VAL 64 3HG1 VAL 64 -11.732 2.251 0.837 480 HG21 VAL 64 3HG2 VAL 64 -10.259 0.099 -1.550 481 HG22 VAL 64 1HG2 VAL 64 -9.929 1.531 -0.575 482 HG23 VAL 64 2HG2 VAL 64 -11.424 1.423 -1.513 483 H HIS 65 H HIS 65 -8.264 -1.897 1.545 484 HA HIS 65 HA HIS 65 -8.779 -3.650 -0.768 485 HB2 HIS 65 2HB HIS 65 -6.067 -3.439 -0.939 486 HB3 HIS 65 1HB HIS 65 -7.243 -2.611 -1.957 487 HD1 HIS 65 1HD HIS 65 -8.138 -0.328 -0.432 488 HD2 HIS 65 2HD HIS 65 -4.201 -1.600 -0.399 489 HE1 HIS 65 1HE HIS 65 -6.831 1.601 0.404 490 H PHE 66 H PHE 66 -9.286 -4.347 1.815 491 HA PHE 66 HA PHE 66 -7.240 -6.409 2.219 492 HB2 PHE 66 2HB PHE 66 -8.216 -4.389 4.127 493 HB3 PHE 66 1HB PHE 66 -8.240 -6.028 4.760 494 HD1 PHE 66 2HD PHE 66 -5.948 -7.333 3.860 495 HD2 PHE 66 1HD PHE 66 -6.400 -3.217 4.836 496 HE1 PHE 66 2HE PHE 66 -3.542 -7.188 4.345 497 HE2 PHE 66 1HE PHE 66 -3.996 -3.065 5.324 498 HZ PHE 66 HZ PHE 66 -2.572 -5.052 5.080 499 H GLN 67 H GLN 67 -8.270 -8.356 3.622 500 HA GLN 67 HA GLN 67 -11.012 -8.657 2.685 501 HB2 GLN 67 2HB GLN 67 -10.673 -11.071 2.928 502 HB3 GLN 67 1HB GLN 67 -9.401 -10.369 1.939 503 HG2 GLN 67 2HG GLN 67 -8.232 -11.806 3.304 504 HG3 GLN 67 1HG GLN 67 -8.064 -10.268 4.147 505 HE21 GLN 67 1HE2 GLN 67 -10.548 -12.800 3.984 506 HE22 GLN 67 2HE2 GLN 67 -10.704 -12.993 5.694 507 H GLY 68 H GLY 68 -12.706 -9.466 4.453 508 HA2 GLY 68 2HA GLY 68 -13.514 -8.946 6.570 509 HA3 GLY 68 1HA GLY 68 -12.508 -10.339 6.895 510 H GLY 69 H GLY 69 -10.102 -9.734 7.475 511 HA2 GLY 69 2HA GLY 69 -9.295 -7.218 8.258 512 HA3 GLY 69 1HA GLY 69 -10.181 -7.869 9.628 513 H ARG 70 H ARG 70 -7.398 -7.201 9.626 514 HA ARG 70 HA ARG 70 -5.324 -8.033 10.092 515 HB2 ARG 70 2HB ARG 70 -5.772 -10.390 11.469 516 HB3 ARG 70 1HB ARG 70 -5.710 -8.780 12.166 517 HG2 ARG 70 2HG ARG 70 -8.172 -8.615 11.836 518 HG3 ARG 70 1HG ARG 70 -8.161 -10.302 11.320 519 HD2 ARG 70 2HD ARG 70 -8.707 -10.430 13.579 520 HD3 ARG 70 1HD ARG 70 -6.975 -10.763 13.553 521 HE ARG 70 HE ARG 70 -6.611 -8.815 14.705 522 HH11 ARG 70 1HH1 ARG 70 -9.884 -8.822 13.491 523 HH12 ARG 70 2HH1 ARG 70 -10.353 -7.418 14.391 524 HH21 ARG 70 1HH2 ARG 70 -7.228 -6.971 15.891 525 HH22 ARG 70 2HH2 ARG 70 -8.845 -6.368 15.754 526 H LYS 71 H LYS 71 -5.915 -8.609 7.538 527 HA LYS 71 HA LYS 71 -6.147 -10.756 6.209 528 HB2 LYS 71 2HB LYS 71 -4.871 -9.770 4.678 529 HB3 LYS 71 1HB LYS 71 -4.437 -8.598 5.902 530 HG2 LYS 71 2HG LYS 71 -2.743 -10.938 6.076 531 HG3 LYS 71 1HG LYS 71 -2.732 -10.247 4.460 532 HD2 LYS 71 2HD LYS 71 -0.985 -9.302 5.929 533 HD3 LYS 71 1HD LYS 71 -2.112 -8.091 5.323 534 HE2 LYS 71 2HE LYS 71 -3.354 -8.662 7.609 535 HE3 LYS 71 1HE LYS 71 -1.713 -9.117 8.077 536 HZ1 LYS 71 3HZ LYS 71 -2.281 -6.506 6.819 537 HZ2 LYS 71 1HZ LYS 71 -0.939 -6.963 7.745 538 HZ3 LYS 71 2HZ LYS 71 -2.440 -6.730 8.488 539 H THR 72 H THR 72 -5.883 -12.865 6.409 540 HA THR 72 HA THR 72 -3.394 -13.967 7.434 541 HB THR 72 HB THR 72 -4.833 -13.638 9.435 542 HG1 THR 72 1HG THR 72 -4.336 -15.585 10.242 543 HG21 THR 72 3HG2 THR 72 -6.884 -14.675 7.799 544 HG22 THR 72 1HG2 THR 72 -6.976 -14.163 9.485 545 HG23 THR 72 2HG2 THR 72 -6.597 -15.839 9.092 546 H TYR 73 H TYR 73 -2.827 -15.705 6.278 547 HA TYR 73 HA TYR 73 -2.894 -17.357 4.723 548 HB2 TYR 73 2HB TYR 73 -4.429 -18.239 6.657 549 HB3 TYR 73 1HB TYR 73 -5.736 -17.957 5.513 550 HD1 TYR 73 2HD TYR 73 -2.297 -19.234 4.851 551 HD2 TYR 73 1HD TYR 73 -6.461 -20.098 4.954 552 HE1 TYR 73 2HE TYR 73 -1.863 -21.428 3.825 553 HE2 TYR 73 1HE TYR 73 -6.039 -22.294 3.930 554 HH TYR 73 HH TYR 73 -4.369 -23.411 2.596 555 H THR 74 H THR 74 -4.422 -18.231 2.744 556 HA THR 74 HA THR 74 -5.166 -17.582 0.684 557 HB THR 74 HB THR 74 -7.403 -16.097 1.107 558 HG1 THR 74 1HG THR 74 -7.059 -17.619 3.470 559 HG21 THR 74 3HG2 THR 74 -6.867 -18.738 0.506 560 HG22 THR 74 1HG2 THR 74 -8.449 -17.956 0.500 561 HG23 THR 74 2HG2 THR 74 -7.900 -18.825 1.934 562 H VAL 75 H VAL 75 -5.760 -14.649 2.673 563 HA VAL 75 HA VAL 75 -5.094 -12.902 0.483 564 HB VAL 75 HB VAL 75 -6.859 -12.369 2.113 565 HG11 VAL 75 1HG1 VAL 75 -5.407 -11.565 4.396 566 HG12 VAL 75 2HG1 VAL 75 -4.923 -13.210 3.999 567 HG13 VAL 75 3HG1 VAL 75 -6.625 -12.829 4.246 568 HG21 VAL 75 3HG2 VAL 75 -4.601 -10.374 2.424 569 HG22 VAL 75 1HG2 VAL 75 -6.310 -10.076 2.721 570 HG23 VAL 75 2HG2 VAL 75 -5.755 -10.419 1.086 571 H ARG 76 H ARG 76 -2.814 -13.284 -0.006 572 HA ARG 76 HA ARG 76 -0.950 -12.974 2.220 573 HB2 ARG 76 2HB ARG 76 -0.618 -14.798 0.562 574 HB3 ARG 76 1HB ARG 76 -0.340 -13.591 -0.682 575 HG2 ARG 76 2HG ARG 76 1.446 -12.814 1.202 576 HG3 ARG 76 1HG ARG 76 1.430 -14.563 1.438 577 HD2 ARG 76 2HD ARG 76 2.025 -14.954 -0.834 578 HD3 ARG 76 1HD ARG 76 1.777 -13.260 -1.255 579 HE ARG 76 HE ARG 76 3.901 -12.834 -0.547 580 HH11 ARG 76 1HH1 ARG 76 2.854 -15.846 0.872 581 HH12 ARG 76 2HH1 ARG 76 4.390 -16.183 1.598 582 HH21 ARG 76 1HH2 ARG 76 5.922 -13.276 0.406 583 HH22 ARG 76 2HH2 ARG 76 6.131 -14.724 1.334 584 H VAL 77 H VAL 77 -1.723 -11.360 -0.871 585 HA VAL 77 HA VAL 77 -0.386 -8.982 0.207 586 HB VAL 77 HB VAL 77 0.734 -8.490 -1.809 587 HG11 VAL 77 1HG1 VAL 77 1.837 -10.312 -0.704 588 HG12 VAL 77 2HG1 VAL 77 1.944 -10.546 -2.449 589 HG13 VAL 77 3HG1 VAL 77 0.788 -11.484 -1.501 590 HG21 VAL 77 3HG2 VAL 77 0.310 -9.642 -3.935 591 HG22 VAL 77 1HG2 VAL 77 -1.106 -8.778 -3.338 592 HG23 VAL 77 2HG2 VAL 77 -1.011 -10.531 -3.173 593 HA PRO 78 HA PRO 78 -4.502 -7.250 -0.421 594 HB2 PRO 78 2HB PRO 78 -2.812 -4.791 -0.417 595 HB3 PRO 78 1HB PRO 78 -4.340 -5.088 0.414 596 HG2 PRO 78 2HG PRO 78 -2.157 -5.231 1.827 597 HG3 PRO 78 1HG PRO 78 -3.282 -6.602 1.946 598 HD2 PRO 78 2HD PRO 78 -0.793 -6.342 0.286 599 HD3 PRO 78 1HD PRO 78 -1.268 -7.670 1.378 600 H THR 79 H THR 79 -3.595 -8.100 -3.054 601 HA THR 79 HA THR 79 -4.064 -5.474 -4.315 602 HB THR 79 HB THR 79 -2.972 -6.228 -6.290 603 HG1 THR 79 1HG THR 79 -3.264 -8.871 -5.309 604 HG21 THR 79 3HG2 THR 79 -1.137 -7.954 -5.136 605 HG22 THR 79 1HG2 THR 79 -1.619 -6.867 -3.833 606 HG23 THR 79 2HG2 THR 79 -0.985 -6.209 -5.340 607 H ILE 80 H ILE 80 -6.112 -5.199 -4.415 608 HA ILE 80 HA ILE 80 -7.783 -7.106 -5.887 609 HB ILE 80 HB ILE 80 -8.592 -5.433 -3.496 610 HG12 ILE 80 2HG1 ILE 80 -9.520 -7.996 -3.112 611 HG13 ILE 80 1HG1 ILE 80 -7.988 -8.271 -3.936 612 HG21 ILE 80 1HG2 ILE 80 -10.851 -6.659 -3.967 613 HG22 ILE 80 2HG2 ILE 80 -10.240 -6.719 -5.622 614 HG23 ILE 80 3HG2 ILE 80 -10.453 -5.164 -4.814 615 HD11 ILE 80 3HD1 ILE 80 -6.933 -7.978 -2.017 616 HD12 ILE 80 1HD1 ILE 80 -8.467 -7.644 -1.211 617 HD13 ILE 80 2HD1 ILE 80 -7.542 -6.326 -1.934 618 H PHE 81 H PHE 81 -7.650 -5.942 -7.924 619 HA PHE 81 HA PHE 81 -9.253 -3.606 -8.079 620 HB2 PHE 81 2HB PHE 81 -6.521 -2.865 -9.019 621 HB3 PHE 81 1HB PHE 81 -7.812 -1.845 -8.416 622 HD1 PHE 81 2HD PHE 81 -8.194 -1.817 -5.841 623 HD2 PHE 81 1HD PHE 81 -4.693 -3.370 -7.707 624 HE1 PHE 81 2HE PHE 81 -6.993 -1.661 -3.703 625 HE2 PHE 81 1HE PHE 81 -3.474 -3.179 -5.573 626 HZ PHE 81 HZ PHE 81 -4.639 -2.362 -3.540 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 7.871 16.358 6.433 2 H2 GLY 1 2HT GLY 1 8.813 17.759 6.350 3 H3 GLY 1 3HT GLY 1 8.956 16.573 5.154 4 HA2 GLY 1 1HA GLY 1 6.388 17.940 5.645 5 HA3 GLY 1 2HA GLY 1 7.609 18.657 4.606 6 H SER 2 H SER 2 7.296 15.203 4.785 7 HA SER 2 HA SER 2 7.040 14.849 2.037 8 HB2 SER 2 2HB SER 2 6.001 12.541 2.890 9 HB3 SER 2 1HB SER 2 7.721 12.902 3.042 10 HG SER 2 HG SER 2 5.737 13.260 5.042 11 HA PRO 3 HA PRO 3 2.702 15.942 1.686 12 HB2 PRO 3 2HB PRO 3 2.562 16.013 -0.988 13 HB3 PRO 3 1HB PRO 3 3.417 17.263 -0.073 14 HG2 PRO 3 2HG PRO 3 4.523 14.904 -1.544 15 HG3 PRO 3 1HG PRO 3 5.123 16.573 -1.492 16 HD2 PRO 3 2HD PRO 3 6.146 14.515 0.020 17 HD3 PRO 3 1HD PRO 3 6.250 16.229 0.470 18 H GLY 4 H GLY 4 4.160 12.985 1.054 19 HA2 GLY 4 2HA GLY 4 2.413 11.165 1.461 20 HA3 GLY 4 1HA GLY 4 1.651 11.847 0.032 21 H PHE 5 H PHE 5 2.060 9.301 -0.447 22 HA PHE 5 HA PHE 5 4.474 9.255 -2.093 23 HB2 PHE 5 2HB PHE 5 3.792 7.012 -0.200 24 HB3 PHE 5 1HB PHE 5 5.175 7.108 -1.267 25 HD1 PHE 5 2HD PHE 5 6.603 9.348 -0.941 26 HD2 PHE 5 1HD PHE 5 4.150 7.504 2.007 27 HE1 PHE 5 2HE PHE 5 7.908 10.451 0.828 28 HE2 PHE 5 1HE PHE 5 5.452 8.604 3.782 29 HZ PHE 5 HZ PHE 5 7.334 10.079 3.194 30 H THR 6 H THR 6 1.250 8.827 -2.165 31 HA THR 6 HA THR 6 -0.233 7.965 -3.661 32 HB THR 6 HB THR 6 1.643 6.794 -5.552 33 HG1 THR 6 1HG THR 6 2.075 9.445 -4.667 34 HG21 THR 6 3HG2 THR 6 -0.132 7.428 -6.742 35 HG22 THR 6 1HG2 THR 6 0.633 9.018 -6.738 36 HG23 THR 6 2HG2 THR 6 -0.619 8.640 -5.554 37 H CYS 7 H CYS 7 -1.390 6.231 -3.066 38 HA CYS 7 HA CYS 7 -0.080 3.674 -2.538 39 HB2 CYS 7 2HB CYS 7 -1.731 4.097 -0.862 40 HB3 CYS 7 1HB CYS 7 -2.938 4.630 -2.024 41 H CYS 8 H CYS 8 -0.723 5.093 -5.289 42 HA CYS 8 HA CYS 8 -1.426 4.427 -7.366 43 HB2 CYS 8 2HB CYS 8 0.335 2.806 -7.144 44 HB3 CYS 8 1HB CYS 8 -0.634 1.790 -6.088 45 HG CYS 8 HG CYS 8 -0.578 0.774 -8.506 46 H VAL 9 H VAL 9 -3.166 4.766 -5.149 47 HA VAL 9 HA VAL 9 -5.253 2.850 -5.061 48 HB VAL 9 HB VAL 9 -4.933 4.112 -3.107 49 HG11 VAL 9 1HG1 VAL 9 -4.391 6.284 -4.978 50 HG12 VAL 9 2HG1 VAL 9 -3.694 5.933 -3.397 51 HG13 VAL 9 3HG1 VAL 9 -5.239 6.775 -3.514 52 HG21 VAL 9 3HG2 VAL 9 -6.968 5.001 -2.570 53 HG22 VAL 9 1HG2 VAL 9 -7.398 4.102 -4.034 54 HG23 VAL 9 2HG2 VAL 9 -7.132 5.841 -4.119 55 HA PRO 10 HA PRO 10 -7.108 4.676 -8.775 56 HB2 PRO 10 2HB PRO 10 -8.171 2.445 -9.758 57 HB3 PRO 10 1HB PRO 10 -6.423 2.702 -9.824 58 HG2 PRO 10 2HG PRO 10 -8.020 1.018 -7.941 59 HG3 PRO 10 1HG PRO 10 -6.461 0.668 -8.710 60 HD2 PRO 10 2HD PRO 10 -6.794 1.624 -6.118 61 HD3 PRO 10 1HD PRO 10 -5.303 1.723 -7.064 62 H GLY 11 H GLY 11 -8.411 2.844 -6.141 63 HA2 GLY 11 2HA GLY 11 -10.774 4.422 -6.095 64 HA3 GLY 11 1HA GLY 11 -11.100 2.797 -6.664 65 H CYS 12 H CYS 12 -8.521 2.781 -4.356 66 HA CYS 12 HA CYS 12 -10.228 1.406 -2.581 67 HB2 CYS 12 2HB CYS 12 -8.121 1.985 -0.921 68 HB3 CYS 12 1HB CYS 12 -8.285 0.559 -1.905 69 H TYR 13 H TYR 13 -9.019 2.870 -0.088 70 HA TYR 13 HA TYR 13 -11.283 4.662 0.108 71 HB2 TYR 13 2HB TYR 13 -10.814 2.895 1.807 72 HB3 TYR 13 1HB TYR 13 -9.406 3.827 2.281 73 HD1 TYR 13 1HD TYR 13 -11.879 6.119 1.339 74 HD2 TYR 13 2HD TYR 13 -10.849 3.465 4.501 75 HE1 TYR 13 1HE TYR 13 -13.276 7.425 2.880 76 HE2 TYR 13 2HE TYR 13 -12.246 4.764 6.051 77 HH TYR 13 HH TYR 13 -14.074 6.308 6.031 78 H ASN 14 H ASN 14 -7.878 4.724 0.850 79 HA ASN 14 HA ASN 14 -7.876 7.647 0.712 80 HB2 ASN 14 2HB ASN 14 -5.717 6.705 2.255 81 HB3 ASN 14 1HB ASN 14 -7.047 7.713 2.759 82 HD21 ASN 14 1HD2 ASN 14 -9.165 6.303 2.901 83 HD22 ASN 14 2HD2 ASN 14 -9.004 4.872 3.856 84 H ASN 15 H ASN 15 -5.704 8.667 -0.006 85 HA ASN 15 HA ASN 15 -4.393 6.755 -1.787 86 HB2 ASN 15 2HB ASN 15 -5.458 8.668 -2.926 87 HB3 ASN 15 1HB ASN 15 -4.474 9.779 -1.980 88 HD21 ASN 15 1HD2 ASN 15 -4.772 8.563 -4.928 89 HD22 ASN 15 2HD2 ASN 15 -3.123 8.545 -5.446 90 H SER 16 H SER 16 -1.830 6.865 -1.832 91 HA SER 16 HA SER 16 -0.801 7.349 0.725 92 HB2 SER 16 2HB SER 16 0.232 5.528 -0.430 93 HB3 SER 16 1HB SER 16 0.309 6.427 -1.913 94 HG SER 16 HG SER 16 1.914 6.727 0.387 95 H HIS 17 H HIS 17 -0.973 9.342 -2.207 96 HA HIS 17 HA HIS 17 0.450 11.450 -0.761 97 HB2 HIS 17 2HB HIS 17 2.090 10.557 -2.280 98 HB3 HIS 17 1HB HIS 17 0.988 10.633 -3.629 99 HD1 HIS 17 1HD HIS 17 3.216 12.018 -4.521 100 HD2 HIS 17 2HD HIS 17 0.724 13.900 -1.781 101 HE1 HIS 17 1HE HIS 17 3.744 14.469 -4.706 102 HE2 HIS 17 2HE HIS 17 2.151 15.597 -3.111 103 H ARG 18 H ARG 18 -2.198 11.609 -0.645 104 HA ARG 18 HA ARG 18 -2.793 13.970 -2.131 105 HB2 ARG 18 2HB ARG 18 -3.209 12.195 -3.834 106 HB3 ARG 18 1HB ARG 18 -4.460 11.541 -2.788 107 HG2 ARG 18 2HG ARG 18 -5.796 13.488 -3.029 108 HG3 ARG 18 1HG ARG 18 -4.490 14.358 -3.836 109 HD2 ARG 18 2HD ARG 18 -4.649 12.339 -5.522 110 HD3 ARG 18 1HD ARG 18 -6.286 12.222 -4.877 111 HE ARG 18 HE ARG 18 -5.255 14.247 -6.632 112 HH11 ARG 18 1HH1 ARG 18 -7.676 13.523 -4.226 113 HH12 ARG 18 2HH1 ARG 18 -8.773 14.741 -4.783 114 HH21 ARG 18 1HH2 ARG 18 -6.696 15.849 -7.365 115 HH22 ARG 18 2HH2 ARG 18 -8.218 16.061 -6.565 116 H ASP 19 H ASP 19 -2.990 12.370 0.597 117 HA ASP 19 HA ASP 19 -5.153 13.928 1.639 118 HB2 ASP 19 2HB ASP 19 -5.526 10.979 1.980 119 HB3 ASP 19 1HB ASP 19 -6.663 12.281 2.280 120 H LYS 20 H LYS 20 -3.751 10.854 2.644 121 HA LYS 20 HA LYS 20 -2.504 10.261 4.439 122 HB2 LYS 20 2HB LYS 20 -1.801 13.192 4.562 123 HB3 LYS 20 1HB LYS 20 -0.979 11.905 5.432 124 HG2 LYS 20 2HG LYS 20 0.132 11.177 3.601 125 HG3 LYS 20 1HG LYS 20 -1.174 11.614 2.499 126 HD2 LYS 20 2HD LYS 20 0.829 13.003 2.171 127 HD3 LYS 20 1HD LYS 20 -0.571 13.957 2.665 128 HE2 LYS 20 2HE LYS 20 1.144 12.957 4.847 129 HE3 LYS 20 1HE LYS 20 1.872 14.167 3.793 130 HZ1 LYS 20 3HZ LYS 20 -0.076 14.506 5.827 131 HZ2 LYS 20 1HZ LYS 20 -0.661 15.095 4.352 132 HZ3 LYS 20 2HZ LYS 20 0.796 15.680 4.978 133 H ALA 21 H ALA 21 -5.328 11.674 4.659 134 HA ALA 21 HA ALA 21 -5.198 12.083 7.576 135 HB1 ALA 21 1HB ALA 21 -6.787 13.669 7.415 136 HB2 ALA 21 2HB ALA 21 -7.667 12.815 6.147 137 HB3 ALA 21 3HB ALA 21 -6.230 13.753 5.744 138 H LEU 22 H LEU 22 -5.589 9.441 5.890 139 HA LEU 22 HA LEU 22 -7.963 8.580 7.388 140 HB2 LEU 22 2HB LEU 22 -7.120 7.629 4.629 141 HB3 LEU 22 1HB LEU 22 -8.521 7.027 5.531 142 HG LEU 22 HG LEU 22 -9.159 8.583 3.798 143 HD11 LEU 22 1HD1 LEU 22 -10.128 10.353 5.601 144 HD12 LEU 22 2HD1 LEU 22 -9.716 8.993 6.646 145 HD13 LEU 22 3HD1 LEU 22 -10.818 8.759 5.290 146 HD21 LEU 22 3HD2 LEU 22 -8.170 10.953 5.176 147 HD22 LEU 22 1HD2 LEU 22 -8.305 10.583 3.463 148 HD23 LEU 22 2HD2 LEU 22 -6.928 9.978 4.387 149 H HIS 23 H HIS 23 -6.533 5.599 6.182 150 HA HIS 23 HA HIS 23 -4.916 5.492 8.598 151 HB2 HIS 23 2HB HIS 23 -7.289 4.138 8.140 152 HB3 HIS 23 1HB HIS 23 -6.066 2.939 7.737 153 HD1 HIS 23 1HD HIS 23 -4.408 2.257 9.681 154 HD2 HIS 23 2HD HIS 23 -7.604 4.648 10.835 155 HE1 HIS 23 1HE HIS 23 -4.502 2.088 12.188 156 HE2 HIS 23 2HE HIS 23 -6.391 3.608 12.869 157 H PHE 24 H PHE 24 -2.867 4.197 8.363 158 HA PHE 24 HA PHE 24 -2.455 3.210 5.648 159 HB2 PHE 24 2HB PHE 24 -0.509 4.830 7.270 160 HB3 PHE 24 1HB PHE 24 -0.121 4.032 5.756 161 HD1 PHE 24 2HD PHE 24 -2.208 6.667 7.286 162 HD2 PHE 24 1HD PHE 24 -0.705 5.013 3.661 163 HE1 PHE 24 2HE PHE 24 -3.004 8.638 6.043 164 HE2 PHE 24 1HE PHE 24 -1.491 6.971 2.430 165 HZ PHE 24 HZ PHE 24 -2.642 8.782 3.608 166 H TYR 25 H TYR 25 -1.605 1.007 5.575 167 HA TYR 25 HA TYR 25 -0.881 -0.168 8.115 168 HB2 TYR 25 2HB TYR 25 -1.129 -1.380 5.342 169 HB3 TYR 25 1HB TYR 25 -0.644 -2.290 6.765 170 HD1 TYR 25 1HD TYR 25 -3.358 0.188 6.049 171 HD2 TYR 25 2HD TYR 25 -2.320 -3.663 7.529 172 HE1 TYR 25 1HE TYR 25 -5.713 -0.232 6.603 173 HE2 TYR 25 2HE TYR 25 -4.678 -4.093 8.078 174 HH TYR 25 HH TYR 25 -7.182 -2.409 6.873 175 H THR 26 H THR 26 1.307 -1.313 8.382 176 HA THR 26 HA THR 26 3.311 0.156 6.823 177 HB THR 26 HB THR 26 4.465 0.480 8.730 178 HG1 THR 26 1HG THR 26 5.507 -1.233 9.294 179 HG21 THR 26 3HG2 THR 26 2.237 0.844 9.658 180 HG22 THR 26 1HG2 THR 26 3.363 0.222 10.864 181 HG23 THR 26 2HG2 THR 26 2.167 -0.852 10.140 182 H PHE 27 H PHE 27 5.549 -1.065 6.811 183 HA PHE 27 HA PHE 27 5.069 -3.327 5.185 184 HB2 PHE 27 2HB PHE 27 6.865 -1.260 5.375 185 HB3 PHE 27 1HB PHE 27 7.829 -2.705 5.466 186 HD1 PHE 27 2HD PHE 27 4.842 -3.166 3.627 187 HD2 PHE 27 1HD PHE 27 8.800 -1.653 3.321 188 HE1 PHE 27 2HE PHE 27 4.708 -3.338 1.206 189 HE2 PHE 27 1HE PHE 27 8.689 -1.843 0.884 190 HZ PHE 27 HZ PHE 27 6.619 -2.670 -0.195 191 HA PRO 28 HA PRO 28 6.006 -6.765 8.084 192 HB2 PRO 28 2HB PRO 28 7.086 -7.629 5.372 193 HB3 PRO 28 1HB PRO 28 6.363 -8.673 6.598 194 HG2 PRO 28 2HG PRO 28 4.813 -7.877 4.737 195 HG3 PRO 28 1HG PRO 28 4.260 -7.556 6.386 196 HD2 PRO 28 2HD PRO 28 5.441 -5.664 4.400 197 HD3 PRO 28 1HD PRO 28 4.128 -5.429 5.546 198 H LYS 29 H LYS 29 8.047 -8.136 8.604 199 HA LYS 29 HA LYS 29 10.315 -6.394 8.873 200 HB2 LYS 29 2HB LYS 29 11.308 -8.557 9.893 201 HB3 LYS 29 1HB LYS 29 10.022 -7.725 10.754 202 HG2 LYS 29 2HG LYS 29 8.995 -9.706 8.905 203 HG3 LYS 29 1HG LYS 29 10.117 -10.406 10.068 204 HD2 LYS 29 2HD LYS 29 8.256 -8.540 11.301 205 HD3 LYS 29 1HD LYS 29 7.436 -9.878 10.494 206 HE2 LYS 29 2HE LYS 29 8.658 -11.488 11.770 207 HE3 LYS 29 1HE LYS 29 9.708 -10.240 12.438 208 HZ1 LYS 29 3HZ LYS 29 7.390 -9.310 13.248 209 HZ2 LYS 29 1HZ LYS 29 8.254 -10.455 14.145 210 HZ3 LYS 29 2HZ LYS 29 6.968 -10.947 13.161 211 H ASP 30 H ASP 30 9.419 -9.078 6.887 212 HA ASP 30 HA ASP 30 12.075 -9.561 5.859 213 HB2 ASP 30 2HB ASP 30 9.977 -10.635 4.191 214 HB3 ASP 30 1HB ASP 30 11.147 -11.523 5.157 215 H ALA 31 H ALA 31 13.013 -8.154 4.442 216 HA ALA 31 HA ALA 31 11.866 -6.045 3.233 217 HB1 ALA 31 1HB ALA 31 14.312 -7.617 2.622 218 HB2 ALA 31 2HB ALA 31 14.127 -5.966 3.202 219 HB3 ALA 31 3HB ALA 31 13.822 -6.334 1.512 220 H GLU 32 H GLU 32 12.409 -9.127 1.360 221 HA GLU 32 HA GLU 32 11.090 -8.207 -0.936 222 HB2 GLU 32 2HB GLU 32 12.370 -10.159 -1.136 223 HB3 GLU 32 1HB GLU 32 11.574 -11.005 0.128 224 HG2 GLU 32 2HG GLU 32 10.133 -10.213 -2.378 225 HG3 GLU 32 1HG GLU 32 11.102 -11.683 -2.292 226 H LEU 33 H LEU 33 9.466 -10.374 1.538 227 HA LEU 33 HA LEU 33 7.050 -10.405 0.383 228 HB2 LEU 33 2HB LEU 33 7.672 -11.146 2.772 229 HB3 LEU 33 1HB LEU 33 7.323 -9.519 3.257 230 HG LEU 33 HG LEU 33 5.163 -9.920 3.381 231 HD11 LEU 33 1HD1 LEU 33 5.408 -11.185 0.663 232 HD12 LEU 33 2HD1 LEU 33 4.699 -9.628 1.078 233 HD13 LEU 33 3HD1 LEU 33 3.887 -11.121 1.548 234 HD21 LEU 33 3HD2 LEU 33 5.661 -11.890 4.440 235 HD22 LEU 33 1HD2 LEU 33 6.206 -12.666 2.954 236 HD23 LEU 33 2HD2 LEU 33 4.489 -12.380 3.219 237 H ARG 34 H ARG 34 8.570 -7.664 1.913 238 HA ARG 34 HA ARG 34 6.220 -6.023 1.636 239 HB2 ARG 34 2HB ARG 34 8.163 -4.174 1.955 240 HB3 ARG 34 1HB ARG 34 7.289 -4.949 3.257 241 HG2 ARG 34 2HG ARG 34 9.090 -6.096 3.947 242 HG3 ARG 34 1HG ARG 34 9.682 -6.308 2.313 243 HD2 ARG 34 2HD ARG 34 11.050 -4.575 2.475 244 HD3 ARG 34 1HD ARG 34 9.738 -3.534 3.005 245 HE ARG 34 HE ARG 34 10.753 -5.250 5.075 246 HH11 ARG 34 1HH1 ARG 34 11.150 -2.196 3.433 247 HH12 ARG 34 2HH1 ARG 34 11.938 -1.433 4.774 248 HH21 ARG 34 1HH2 ARG 34 11.787 -4.246 6.844 249 HH22 ARG 34 2HH2 ARG 34 12.299 -2.597 6.709 250 H ARG 35 H ARG 35 9.275 -6.232 -0.094 251 HA ARG 35 HA ARG 35 8.672 -4.213 -1.887 252 HB2 ARG 35 2HB ARG 35 10.377 -4.953 -3.263 253 HB3 ARG 35 1HB ARG 35 10.879 -5.584 -1.708 254 HG2 ARG 35 2HG ARG 35 11.290 -7.237 -3.357 255 HG3 ARG 35 1HG ARG 35 9.932 -7.799 -2.400 256 HD2 ARG 35 2HD ARG 35 8.600 -7.854 -4.193 257 HD3 ARG 35 1HD ARG 35 9.057 -6.218 -4.658 258 HE ARG 35 HE ARG 35 10.870 -7.121 -5.911 259 HH11 ARG 35 1HH1 ARG 35 8.682 -9.546 -4.657 260 HH12 ARG 35 2HH1 ARG 35 9.183 -10.751 -5.790 261 HH21 ARG 35 1HH2 ARG 35 11.521 -8.712 -7.394 262 HH22 ARG 35 2HH2 ARG 35 10.790 -10.282 -7.342 263 H LEU 36 H LEU 36 7.435 -7.533 -1.599 264 HA LEU 36 HA LEU 36 6.142 -7.504 -4.175 265 HB2 LEU 36 2HB LEU 36 5.757 -9.029 -1.636 266 HB3 LEU 36 1HB LEU 36 4.496 -9.064 -2.846 267 HG LEU 36 HG LEU 36 7.346 -9.949 -3.237 268 HD11 LEU 36 1HD1 LEU 36 6.575 -12.142 -3.187 269 HD12 LEU 36 2HD1 LEU 36 4.892 -11.658 -3.404 270 HD13 LEU 36 3HD1 LEU 36 5.701 -11.369 -1.863 271 HD21 LEU 36 3HD2 LEU 36 5.016 -9.777 -5.132 272 HD22 LEU 36 1HD2 LEU 36 6.416 -10.811 -5.421 273 HD23 LEU 36 2HD2 LEU 36 6.621 -9.062 -5.306 274 H TRP 37 H TRP 37 5.082 -6.514 -0.982 275 HA TRP 37 HA TRP 37 2.528 -5.644 -1.725 276 HB2 TRP 37 2HB TRP 37 4.506 -4.839 0.394 277 HB3 TRP 37 1HB TRP 37 2.985 -3.970 0.207 278 HD1 TRP 37 HD TRP 37 3.218 -7.742 -0.315 279 HE1 TRP 37 1HE TRP 37 1.827 -8.879 1.594 280 HE3 TRP 37 3HE TRP 37 2.177 -3.632 2.460 281 HZ2 TRP 37 2HZ TRP 37 0.450 -8.042 3.981 282 HZ3 TRP 37 3HZ TRP 37 0.846 -3.817 4.487 283 HH2 TRP 37 HH TRP 37 -0.004 -5.967 5.246 284 H LEU 38 H LEU 38 5.779 -4.029 -1.839 285 HA LEU 38 HA LEU 38 5.193 -1.436 -2.363 286 HB2 LEU 38 2HB LEU 38 7.168 -3.256 -3.762 287 HB3 LEU 38 1HB LEU 38 7.035 -1.579 -4.157 288 HG LEU 38 HG LEU 38 7.833 -2.750 -1.519 289 HD11 LEU 38 1HD1 LEU 38 9.271 -1.051 -3.544 290 HD12 LEU 38 2HD1 LEU 38 9.615 -2.730 -3.125 291 HD13 LEU 38 3HD1 LEU 38 9.895 -1.451 -1.944 292 HD21 LEU 38 3HD2 LEU 38 8.137 -0.363 -0.826 293 HD22 LEU 38 1HD2 LEU 38 6.459 -0.880 -0.991 294 HD23 LEU 38 2HD2 LEU 38 7.207 0.100 -2.252 295 H LYS 39 H LYS 39 5.095 -4.182 -4.755 296 HA LYS 39 HA LYS 39 4.196 -2.926 -6.957 297 HB2 LYS 39 2HB LYS 39 4.046 -5.620 -5.773 298 HB3 LYS 39 1HB LYS 39 2.907 -5.323 -7.063 299 HG2 LYS 39 2HG LYS 39 5.110 -6.368 -7.660 300 HG3 LYS 39 1HG LYS 39 4.651 -4.946 -8.610 301 HD2 LYS 39 2HD LYS 39 6.052 -3.629 -6.888 302 HD3 LYS 39 1HD LYS 39 6.710 -5.200 -6.435 303 HE2 LYS 39 2HE LYS 39 6.679 -4.298 -9.294 304 HE3 LYS 39 1HE LYS 39 7.965 -3.799 -8.194 305 HZ1 LYS 39 3HZ LYS 39 7.852 -6.452 -7.770 306 HZ2 LYS 39 1HZ LYS 39 8.925 -5.696 -8.838 307 HZ3 LYS 39 2HZ LYS 39 7.486 -6.367 -9.418 308 H ASN 40 H ASN 40 1.958 -4.476 -4.654 309 HA ASN 40 HA ASN 40 -0.373 -3.643 -5.866 310 HB2 ASN 40 2HB ASN 40 -0.758 -3.776 -3.003 311 HB3 ASN 40 1HB ASN 40 -1.367 -4.830 -4.264 312 HD21 ASN 40 1HD2 ASN 40 -0.841 -5.938 -1.922 313 HD22 ASN 40 2HD2 ASN 40 0.600 -6.885 -1.973 314 H VAL 41 H VAL 41 1.532 -1.949 -3.461 315 HA VAL 41 HA VAL 41 -0.521 0.014 -3.144 316 HB VAL 41 HB VAL 41 1.283 -0.726 -1.383 317 HG11 VAL 41 1HG1 VAL 41 2.422 1.862 -2.419 318 HG12 VAL 41 2HG1 VAL 41 3.150 0.290 -2.723 319 HG13 VAL 41 3HG1 VAL 41 3.021 0.889 -1.074 320 HG21 VAL 41 3HG2 VAL 41 -0.502 0.509 -0.620 321 HG22 VAL 41 1HG2 VAL 41 -0.243 1.795 -1.796 322 HG23 VAL 41 2HG2 VAL 41 0.811 1.663 -0.394 323 H SER 42 H SER 42 2.211 -0.160 -5.316 324 HA SER 42 HA SER 42 1.594 1.807 -6.959 325 HB2 SER 42 2HB SER 42 1.151 3.692 -5.695 326 HB3 SER 42 1HB SER 42 2.138 3.165 -4.310 327 HG SER 42 HG SER 42 2.848 5.040 -5.707 328 H ARG 43 H ARG 43 4.673 2.818 -5.282 329 HA ARG 43 HA ARG 43 6.812 2.482 -5.877 330 HB2 ARG 43 2HB ARG 43 6.665 0.191 -5.446 331 HB3 ARG 43 1HB ARG 43 5.637 -0.119 -6.831 332 HG2 ARG 43 2HG ARG 43 7.750 -1.021 -7.347 333 HG3 ARG 43 1HG ARG 43 7.619 0.470 -8.282 334 HD2 ARG 43 2HD ARG 43 8.960 1.648 -6.638 335 HD3 ARG 43 1HD ARG 43 9.033 0.203 -5.631 336 HE ARG 43 HE ARG 43 10.652 -0.654 -7.018 337 HH11 ARG 43 1HH1 ARG 43 9.197 2.134 -8.533 338 HH12 ARG 43 2HH1 ARG 43 10.388 2.230 -9.785 339 HH21 ARG 43 1HH2 ARG 43 12.217 -0.529 -8.667 340 HH22 ARG 43 2HH2 ARG 43 12.101 0.718 -9.863 341 H ALA 44 H ALA 44 4.746 1.530 -8.663 342 HA ALA 44 HA ALA 44 6.598 2.503 -10.603 343 HB1 ALA 44 1HB ALA 44 4.794 0.683 -10.846 344 HB2 ALA 44 2HB ALA 44 5.048 1.785 -12.202 345 HB3 ALA 44 3HB ALA 44 3.674 2.021 -11.119 346 H GLY 45 H GLY 45 6.778 4.851 -9.484 347 HA2 GLY 45 2HA GLY 45 4.673 6.609 -9.369 348 HA3 GLY 45 1HA GLY 45 6.321 7.081 -9.715 349 H VAL 46 H VAL 46 6.745 6.044 -12.174 350 HA VAL 46 HA VAL 46 6.518 6.588 -14.388 351 HB VAL 46 HB VAL 46 3.564 6.717 -14.279 352 HG11 VAL 46 1HG1 VAL 46 5.452 5.072 -15.948 353 HG12 VAL 46 2HG1 VAL 46 4.871 6.685 -16.364 354 HG13 VAL 46 3HG1 VAL 46 3.734 5.342 -16.243 355 HG21 VAL 46 3HG2 VAL 46 3.368 4.997 -12.870 356 HG22 VAL 46 1HG2 VAL 46 5.056 4.518 -13.045 357 HG23 VAL 46 2HG2 VAL 46 3.870 4.022 -14.252 358 H SER 47 H SER 47 6.560 8.774 -12.420 359 HA SER 47 HA SER 47 5.798 10.894 -14.230 360 HB2 SER 47 2HB SER 47 3.960 11.766 -13.110 361 HB3 SER 47 1HB SER 47 3.696 10.033 -12.876 362 HG SER 47 HG SER 47 4.733 11.916 -11.027 363 H GLY 48 H GLY 48 6.352 10.402 -10.548 364 HA2 GLY 48 2HA GLY 48 7.567 12.800 -10.041 365 HA3 GLY 48 1HA GLY 48 8.029 11.295 -9.258 366 H CYS 49 H CYS 49 9.457 13.793 -10.437 367 HA CYS 49 HA CYS 49 11.423 12.326 -12.062 368 HB2 CYS 49 2HB CYS 49 11.145 15.325 -11.899 369 HB3 CYS 49 1HB CYS 49 12.029 14.384 -13.096 370 HG CYS 49 HG CYS 49 8.994 14.889 -13.092 371 H PHE 50 H PHE 50 10.930 13.837 -9.045 372 HA PHE 50 HA PHE 50 13.828 14.182 -8.625 373 HB2 PHE 50 2HB PHE 50 11.375 15.227 -7.206 374 HB3 PHE 50 1HB PHE 50 12.943 15.223 -6.405 375 HD1 PHE 50 1HD PHE 50 14.779 15.925 -8.537 376 HD2 PHE 50 2HD PHE 50 10.884 17.422 -7.705 377 HE1 PHE 50 1HE PHE 50 15.358 18.039 -9.657 378 HE2 PHE 50 2HE PHE 50 11.455 19.538 -8.825 379 HZ PHE 50 HZ PHE 50 13.693 19.848 -9.803 380 H SER 51 H SER 51 10.975 12.870 -6.685 381 HA SER 51 HA SER 51 12.875 10.856 -5.660 382 HB2 SER 51 2HB SER 51 11.024 10.903 -3.711 383 HB3 SER 51 1HB SER 51 12.440 11.952 -3.708 384 HG SER 51 HG SER 51 9.768 12.560 -4.268 385 H THR 52 H THR 52 9.637 11.487 -6.858 386 HA THR 52 HA THR 52 7.974 10.109 -7.584 387 HB THR 52 HB THR 52 8.593 8.223 -8.815 388 HG1 THR 52 1HG THR 52 10.469 7.003 -8.318 389 HG21 THR 52 3HG2 THR 52 11.363 9.097 -8.926 390 HG22 THR 52 1HG2 THR 52 10.207 10.417 -9.089 391 HG23 THR 52 2HG2 THR 52 10.134 9.042 -10.190 392 H PHE 53 H PHE 53 8.311 10.351 -4.811 393 HA PHE 53 HA PHE 53 7.815 9.419 -2.802 394 HB2 PHE 53 2HB PHE 53 5.821 8.005 -2.766 395 HB3 PHE 53 1HB PHE 53 5.585 9.364 -3.860 396 HD1 PHE 53 2HD PHE 53 6.716 5.801 -3.905 397 HD2 PHE 53 1HD PHE 53 4.679 8.938 -5.928 398 HE1 PHE 53 2HE PHE 53 6.059 4.227 -5.655 399 HE2 PHE 53 1HE PHE 53 4.009 7.357 -7.692 400 HZ PHE 53 HZ PHE 53 4.696 4.991 -7.548 401 H GLN 54 H GLN 54 9.988 8.089 -4.405 402 HA GLN 54 HA GLN 54 10.372 5.524 -4.537 403 HB2 GLN 54 2HB GLN 54 12.022 7.673 -3.604 404 HB3 GLN 54 1HB GLN 54 12.426 6.209 -2.719 405 HG2 GLN 54 2HG GLN 54 12.215 5.389 -5.363 406 HG3 GLN 54 1HG GLN 54 13.027 6.952 -5.442 407 HE21 GLN 54 1HE2 GLN 54 13.286 3.649 -4.596 408 HE22 GLN 54 2HE2 GLN 54 14.936 3.673 -4.086 409 HA PRO 55 HA PRO 55 8.869 3.456 -0.904 410 HB2 PRO 55 2HB PRO 55 10.454 1.121 -1.522 411 HB3 PRO 55 1HB PRO 55 8.713 1.350 -1.651 412 HG2 PRO 55 2HG PRO 55 10.411 1.095 -3.802 413 HG3 PRO 55 1HG PRO 55 8.809 1.848 -3.859 414 HD2 PRO 55 2HD PRO 55 11.497 3.110 -3.828 415 HD3 PRO 55 1HD PRO 55 9.987 3.670 -4.574 416 H THR 56 H THR 56 12.187 4.064 -1.527 417 HA THR 56 HA THR 56 13.528 2.817 0.555 418 HB THR 56 HB THR 56 15.101 4.696 0.471 419 HG1 THR 56 1HG THR 56 12.970 6.010 -0.818 420 HG21 THR 56 3HG2 THR 56 15.660 3.502 -1.358 421 HG22 THR 56 1HG2 THR 56 15.128 4.977 -2.168 422 HG23 THR 56 2HG2 THR 56 14.041 3.594 -2.053 423 H THR 57 H THR 57 11.592 5.919 0.635 424 HA THR 57 HA THR 57 12.113 6.553 3.309 425 HB THR 57 HB THR 57 11.125 8.184 1.859 426 HG1 THR 57 1HG THR 57 10.415 8.576 3.874 427 HG21 THR 57 3HG2 THR 57 9.283 6.051 1.166 428 HG22 THR 57 1HG2 THR 57 9.718 7.510 0.278 429 HG23 THR 57 2HG2 THR 57 8.469 7.573 1.521 430 H GLY 58 H GLY 58 10.133 4.071 1.935 431 HA2 GLY 58 2HA GLY 58 9.517 2.267 3.516 432 HA3 GLY 58 1HA GLY 58 9.068 3.533 4.630 433 H HIS 59 H HIS 59 7.895 1.843 1.624 434 HA HIS 59 HA HIS 59 5.577 3.532 1.579 435 HB2 HIS 59 2HB HIS 59 6.733 1.524 -0.159 436 HB3 HIS 59 1HB HIS 59 5.001 1.275 0.026 437 HD1 HIS 59 1HD HIS 59 6.865 4.566 -0.171 438 HD2 HIS 59 2HD HIS 59 4.041 2.392 -2.319 439 HE1 HIS 59 1HE HIS 59 6.104 6.075 -2.029 440 HE2 HIS 59 2HE HIS 59 4.353 4.765 -3.263 441 H ARG 60 H ARG 60 3.668 3.205 2.324 442 HA ARG 60 HA ARG 60 3.097 0.852 4.040 443 HB2 ARG 60 2HB ARG 60 1.738 2.376 5.362 444 HB3 ARG 60 1HB ARG 60 3.325 3.080 5.153 445 HG2 ARG 60 2HG ARG 60 1.575 3.938 3.039 446 HG3 ARG 60 1HG ARG 60 0.879 4.291 4.616 447 HD2 ARG 60 2HD ARG 60 3.734 4.948 4.010 448 HD3 ARG 60 1HD ARG 60 2.432 6.035 3.529 449 HE ARG 60 HE ARG 60 2.362 5.257 6.303 450 HH11 ARG 60 1HH1 ARG 60 3.613 7.549 3.988 451 HH12 ARG 60 2HH1 ARG 60 3.865 8.792 5.167 452 HH21 ARG 60 1HH2 ARG 60 2.695 6.891 7.855 453 HH22 ARG 60 2HH2 ARG 60 3.345 8.418 7.362 454 H LEU 61 H LEU 61 0.511 0.449 4.041 455 HA LEU 61 HA LEU 61 -0.432 0.922 1.285 456 HB2 LEU 61 2HB LEU 61 -0.890 -1.426 3.130 457 HB3 LEU 61 1HB LEU 61 -1.911 -1.152 1.741 458 HG LEU 61 HG LEU 61 0.365 -2.663 1.790 459 HD11 LEU 61 1HD1 LEU 61 -1.378 -2.910 0.161 460 HD12 LEU 61 2HD1 LEU 61 0.188 -2.769 -0.629 461 HD13 LEU 61 3HD1 LEU 61 -0.904 -1.390 -0.602 462 HD21 LEU 61 3HD2 LEU 61 1.938 -1.488 0.278 463 HD22 LEU 61 1HD2 LEU 61 1.838 -0.782 1.892 464 HD23 LEU 61 2HD2 LEU 61 1.014 -0.021 0.546 465 H CYS 62 H CYS 62 -2.981 1.242 1.082 466 HA CYS 62 HA CYS 62 -3.859 2.461 3.556 467 HB2 CYS 62 2HB CYS 62 -4.535 4.324 2.475 468 HB3 CYS 62 1HB CYS 62 -3.321 3.763 1.363 469 H SER 63 H SER 63 -6.452 2.764 3.518 470 HA SER 63 HA SER 63 -7.396 0.736 4.782 471 HB2 SER 63 2HB SER 63 -8.460 3.129 3.671 472 HB3 SER 63 1HB SER 63 -9.697 1.879 3.617 473 HG SER 63 HG SER 63 -8.146 2.366 5.932 474 H VAL 64 H VAL 64 -9.424 1.203 2.122 475 HA VAL 64 HA VAL 64 -10.574 -1.315 2.342 476 HB VAL 64 HB VAL 64 -11.768 -0.774 0.204 477 HG11 VAL 64 1HG1 VAL 64 -12.742 1.391 1.331 478 HG12 VAL 64 2HG1 VAL 64 -11.705 0.900 2.672 479 HG13 VAL 64 3HG1 VAL 64 -12.960 -0.190 2.082 480 HG21 VAL 64 3HG2 VAL 64 -11.012 1.976 0.213 481 HG22 VAL 64 1HG2 VAL 64 -10.995 0.818 -1.113 482 HG23 VAL 64 2HG2 VAL 64 -9.585 0.969 -0.058 483 H HIS 65 H HIS 65 -7.856 -1.924 1.694 484 HA HIS 65 HA HIS 65 -8.180 -3.241 -0.933 485 HB2 HIS 65 2HB HIS 65 -5.594 -3.415 0.518 486 HB3 HIS 65 1HB HIS 65 -5.915 -3.282 -1.214 487 HD1 HIS 65 1HD HIS 65 -7.862 -0.680 -0.112 488 HD2 HIS 65 2HD HIS 65 -3.779 -1.245 -0.180 489 HE1 HIS 65 1HE HIS 65 -6.875 1.557 0.326 490 H PHE 66 H PHE 66 -6.904 -4.264 2.344 491 HA PHE 66 HA PHE 66 -6.862 -6.936 1.859 492 HB2 PHE 66 2HB PHE 66 -7.657 -5.534 4.433 493 HB3 PHE 66 1HB PHE 66 -7.049 -7.183 4.316 494 HD1 PHE 66 1HD PHE 66 -4.749 -7.598 3.556 495 HD2 PHE 66 2HD PHE 66 -6.165 -3.662 4.436 496 HE1 PHE 66 1HE PHE 66 -2.428 -6.802 3.732 497 HE2 PHE 66 2HE PHE 66 -3.836 -2.873 4.599 498 HZ PHE 66 HZ PHE 66 -1.972 -4.444 4.238 499 H GLN 67 H GLN 67 -8.570 -8.667 2.782 500 HA GLN 67 HA GLN 67 -11.209 -7.721 1.976 501 HB2 GLN 67 2HB GLN 67 -9.770 -9.934 1.237 502 HB3 GLN 67 1HB GLN 67 -10.887 -10.592 2.424 503 HG2 GLN 67 2HG GLN 67 -12.219 -10.799 0.627 504 HG3 GLN 67 1HG GLN 67 -12.597 -9.117 0.994 505 HE21 GLN 67 1HE2 GLN 67 -13.000 -8.363 -1.005 506 HE22 GLN 67 2HE2 GLN 67 -11.847 -8.341 -2.294 507 H GLY 68 H GLY 68 -12.362 -7.038 4.150 508 HA2 GLY 68 2HA GLY 68 -13.049 -7.270 6.293 509 HA3 GLY 68 1HA GLY 68 -13.291 -8.948 5.826 510 H GLY 69 H GLY 69 -12.846 -8.846 8.371 511 HA2 GLY 69 2HA GLY 69 -11.468 -9.192 10.146 512 HA3 GLY 69 1HA GLY 69 -10.781 -10.395 9.088 513 H ARG 70 H ARG 70 -8.688 -9.691 7.845 514 HA ARG 70 HA ARG 70 -7.443 -7.282 8.012 515 HB2 ARG 70 2HB ARG 70 -5.850 -7.639 9.924 516 HB3 ARG 70 1HB ARG 70 -7.502 -7.319 10.421 517 HG2 ARG 70 2HG ARG 70 -7.489 -9.167 11.632 518 HG3 ARG 70 1HG ARG 70 -7.244 -10.118 10.166 519 HD2 ARG 70 2HD ARG 70 -4.768 -9.550 10.416 520 HD3 ARG 70 1HD ARG 70 -5.176 -9.007 12.044 521 HE ARG 70 HE ARG 70 -6.196 -11.591 11.678 522 HH11 ARG 70 1HH1 ARG 70 -3.124 -9.959 11.961 523 HH12 ARG 70 2HH1 ARG 70 -2.315 -11.334 12.634 524 HH21 ARG 70 1HH2 ARG 70 -5.133 -13.400 12.564 525 HH22 ARG 70 2HH2 ARG 70 -3.455 -13.288 12.977 526 H LYS 71 H LYS 71 -7.592 -9.303 6.233 527 HA LYS 71 HA LYS 71 -6.478 -10.820 4.985 528 HB2 LYS 71 2HB LYS 71 -5.198 -9.311 3.960 529 HB3 LYS 71 1HB LYS 71 -4.752 -8.520 5.458 530 HG2 LYS 71 2HG LYS 71 -3.385 -11.053 5.208 531 HG3 LYS 71 1HG LYS 71 -3.144 -10.062 3.776 532 HD2 LYS 71 2HD LYS 71 -1.476 -9.782 5.686 533 HD3 LYS 71 1HD LYS 71 -2.170 -8.318 4.993 534 HE2 LYS 71 2HE LYS 71 -3.900 -9.114 7.077 535 HE3 LYS 71 1HE LYS 71 -2.248 -9.260 7.694 536 HZ1 LYS 71 3HZ LYS 71 -3.681 -6.870 6.773 537 HZ2 LYS 71 1HZ LYS 71 -1.996 -6.920 6.625 538 HZ3 LYS 71 2HZ LYS 71 -2.714 -7.081 8.146 539 H THR 72 H THR 72 -6.587 -12.755 5.989 540 HA THR 72 HA THR 72 -4.910 -13.408 8.227 541 HB THR 72 HB THR 72 -6.010 -15.574 8.178 542 HG1 THR 72 1HG THR 72 -7.235 -16.226 6.502 543 HG21 THR 72 3HG2 THR 72 -7.989 -14.870 8.927 544 HG22 THR 72 1HG2 THR 72 -8.356 -13.995 7.440 545 HG23 THR 72 2HG2 THR 72 -7.326 -13.256 8.668 546 H TYR 73 H TYR 73 -5.144 -16.101 6.157 547 HA TYR 73 HA TYR 73 -2.296 -15.825 5.485 548 HB2 TYR 73 2HB TYR 73 -2.757 -18.494 5.235 549 HB3 TYR 73 1HB TYR 73 -2.147 -17.725 6.692 550 HD1 TYR 73 2HD TYR 73 -4.003 -16.880 8.365 551 HD2 TYR 73 1HD TYR 73 -4.622 -19.854 5.385 552 HE1 TYR 73 2HE TYR 73 -5.932 -17.736 9.628 553 HE2 TYR 73 1HE TYR 73 -6.552 -20.719 6.641 554 HH TYR 73 HH TYR 73 -8.141 -19.997 8.305 555 H THR 74 H THR 74 -5.320 -17.251 4.288 556 HA THR 74 HA THR 74 -4.544 -18.064 1.788 557 HB THR 74 HB THR 74 -7.011 -16.982 1.251 558 HG1 THR 74 1HG THR 74 -7.167 -17.775 3.948 559 HG21 THR 74 3HG2 THR 74 -6.941 -19.207 0.820 560 HG22 THR 74 1HG2 THR 74 -7.839 -19.240 2.337 561 HG23 THR 74 2HG2 THR 74 -6.111 -19.589 2.329 562 H VAL 75 H VAL 75 -4.992 -14.822 2.942 563 HA VAL 75 HA VAL 75 -4.579 -13.703 0.257 564 HB VAL 75 HB VAL 75 -6.477 -12.838 1.558 565 HG11 VAL 75 1HG1 VAL 75 -6.403 -12.562 3.743 566 HG12 VAL 75 2HG1 VAL 75 -5.106 -11.380 3.593 567 HG13 VAL 75 3HG1 VAL 75 -4.722 -13.093 3.720 568 HG21 VAL 75 3HG2 VAL 75 -4.341 -10.699 1.459 569 HG22 VAL 75 1HG2 VAL 75 -6.083 -10.460 1.496 570 HG23 VAL 75 2HG2 VAL 75 -5.338 -11.203 0.087 571 H ARG 76 H ARG 76 -2.244 -14.026 0.018 572 HA ARG 76 HA ARG 76 -0.517 -13.233 2.168 573 HB2 ARG 76 2HB ARG 76 -0.150 -14.976 0.201 574 HB3 ARG 76 1HB ARG 76 0.545 -13.575 -0.600 575 HG2 ARG 76 2HG ARG 76 2.287 -14.813 0.482 576 HG3 ARG 76 1HG ARG 76 2.070 -13.274 1.317 577 HD2 ARG 76 2HD ARG 76 0.759 -14.382 3.043 578 HD3 ARG 76 1HD ARG 76 0.917 -15.918 2.196 579 HE ARG 76 HE ARG 76 3.111 -16.080 2.927 580 HH11 ARG 76 1HH1 ARG 76 1.757 -12.987 3.832 581 HH12 ARG 76 2HH1 ARG 76 3.037 -12.614 4.934 582 HH21 ARG 76 1HH2 ARG 76 4.790 -15.584 4.377 583 HH22 ARG 76 2HH2 ARG 76 4.758 -14.084 5.243 584 H VAL 77 H VAL 77 -1.364 -11.807 -0.998 585 HA VAL 77 HA VAL 77 -0.336 -9.260 0.041 586 HB VAL 77 HB VAL 77 0.706 -8.691 -2.002 587 HG11 VAL 77 1HG1 VAL 77 1.169 -11.595 -1.393 588 HG12 VAL 77 2HG1 VAL 77 2.121 -10.204 -0.875 589 HG13 VAL 77 3HG1 VAL 77 2.131 -10.701 -2.568 590 HG21 VAL 77 3HG2 VAL 77 -1.040 -10.784 -3.173 591 HG22 VAL 77 1HG2 VAL 77 0.498 -10.417 -3.958 592 HG23 VAL 77 2HG2 VAL 77 -0.697 -9.143 -3.722 593 HA PRO 78 HA PRO 78 -4.589 -7.992 -0.749 594 HB2 PRO 78 2HB PRO 78 -3.276 -5.327 -0.714 595 HB3 PRO 78 1HB PRO 78 -4.709 -5.884 0.150 596 HG2 PRO 78 2HG PRO 78 -2.468 -5.617 1.473 597 HG3 PRO 78 1HG PRO 78 -3.413 -7.107 1.699 598 HD2 PRO 78 2HD PRO 78 -0.993 -6.654 -0.025 599 HD3 PRO 78 1HD PRO 78 -1.321 -7.968 1.142 600 H THR 79 H THR 79 -4.262 -8.819 -3.259 601 HA THR 79 HA THR 79 -3.967 -6.253 -4.694 602 HB THR 79 HB THR 79 -3.320 -7.424 -6.601 603 HG1 THR 79 1HG THR 79 -4.878 -9.613 -5.692 604 HG21 THR 79 3HG2 THR 79 -2.110 -9.522 -6.089 605 HG22 THR 79 1HG2 THR 79 -2.713 -9.413 -4.435 606 HG23 THR 79 2HG2 THR 79 -1.661 -8.151 -5.076 607 H ILE 80 H ILE 80 -5.724 -5.292 -4.524 608 HA ILE 80 HA ILE 80 -8.239 -6.389 -5.541 609 HB ILE 80 HB ILE 80 -7.754 -4.500 -3.213 610 HG12 ILE 80 2HG1 ILE 80 -9.358 -6.286 -2.154 611 HG13 ILE 80 1HG1 ILE 80 -8.801 -7.284 -3.490 612 HG21 ILE 80 1HG2 ILE 80 -9.664 -3.669 -4.538 613 HG22 ILE 80 2HG2 ILE 80 -10.132 -4.230 -2.943 614 HG23 ILE 80 3HG2 ILE 80 -10.446 -5.237 -4.352 615 HD11 ILE 80 3HD1 ILE 80 -6.723 -7.512 -2.628 616 HD12 ILE 80 1HD1 ILE 80 -7.614 -7.257 -1.125 617 HD13 ILE 80 2HD1 ILE 80 -6.739 -5.918 -1.872 618 H PHE 81 H PHE 81 -9.179 -4.793 -7.155 619 HA PHE 81 HA PHE 81 -9.046 -3.029 -8.614 620 HB2 PHE 81 2HB PHE 81 -7.711 -0.941 -7.793 621 HB3 PHE 81 1HB PHE 81 -9.190 -1.369 -6.948 622 HD1 PHE 81 2HD PHE 81 -5.477 -1.395 -6.721 623 HD2 PHE 81 1HD PHE 81 -9.157 -1.994 -4.655 624 HE1 PHE 81 2HE PHE 81 -4.260 -1.539 -4.593 625 HE2 PHE 81 1HE PHE 81 -7.939 -2.143 -2.528 626 HZ PHE 81 HZ PHE 81 -5.483 -1.946 -2.486 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 8.187 21.280 -1.493 2 H2 GLY 1 2HT GLY 1 6.571 20.990 -1.900 3 H3 GLY 1 3HT GLY 1 7.613 21.693 -3.030 4 HA2 GLY 1 1HA GLY 1 8.460 19.752 -3.690 5 HA3 GLY 1 2HA GLY 1 8.556 19.166 -2.037 6 H SER 2 H SER 2 7.491 17.316 -1.871 7 HA SER 2 HA SER 2 4.696 17.172 -2.429 8 HB2 SER 2 2HB SER 2 5.476 16.804 -4.705 9 HB3 SER 2 1HB SER 2 6.576 15.541 -4.154 10 HG SER 2 HG SER 2 4.727 14.348 -3.496 11 HA PRO 3 HA PRO 3 6.126 14.330 0.873 12 HB2 PRO 3 2HB PRO 3 4.293 15.010 2.708 13 HB3 PRO 3 1HB PRO 3 5.720 16.011 2.408 14 HG2 PRO 3 2HG PRO 3 2.913 16.376 1.438 15 HG3 PRO 3 1HG PRO 3 4.045 17.586 2.068 16 HD2 PRO 3 2HD PRO 3 3.578 17.170 -0.603 17 HD3 PRO 3 1HD PRO 3 5.091 17.833 0.046 18 H GLY 4 H GLY 4 4.797 13.255 -1.271 19 HA2 GLY 4 2HA GLY 4 2.899 11.520 0.106 20 HA3 GLY 4 1HA GLY 4 2.325 12.346 -1.341 21 H PHE 5 H PHE 5 2.144 9.681 -1.622 22 HA PHE 5 HA PHE 5 4.343 9.056 -3.440 23 HB2 PHE 5 2HB PHE 5 3.418 6.871 -1.623 24 HB3 PHE 5 1HB PHE 5 4.920 7.026 -2.508 25 HD1 PHE 5 2HD PHE 5 6.211 9.366 -1.699 26 HD2 PHE 5 1HD PHE 5 3.694 6.866 0.653 27 HE1 PHE 5 2HE PHE 5 7.319 10.169 0.341 28 HE2 PHE 5 1HE PHE 5 4.797 7.668 2.692 29 HZ PHE 5 HZ PHE 5 6.613 9.322 2.540 30 H THR 6 H THR 6 1.152 8.108 -2.280 31 HA THR 6 HA THR 6 -0.749 7.637 -3.528 32 HB THR 6 HB THR 6 0.831 8.326 -5.592 33 HG1 THR 6 1HG THR 6 -0.984 8.032 -6.843 34 HG21 THR 6 3HG2 THR 6 1.151 6.678 -7.187 35 HG22 THR 6 1HG2 THR 6 0.103 5.531 -6.356 36 HG23 THR 6 2HG2 THR 6 1.692 5.914 -5.694 37 H CYS 7 H CYS 7 -1.759 5.836 -2.812 38 HA CYS 7 HA CYS 7 -0.284 3.432 -2.247 39 HB2 CYS 7 2HB CYS 7 -1.940 3.767 -0.601 40 HB3 CYS 7 1HB CYS 7 -3.158 4.291 -1.751 41 H CYS 8 H CYS 8 -0.923 4.438 -5.141 42 HA CYS 8 HA CYS 8 -1.507 3.459 -7.137 43 HB2 CYS 8 2HB CYS 8 0.107 1.767 -6.675 44 HB3 CYS 8 1HB CYS 8 -0.864 1.056 -5.406 45 HG CYS 8 HG CYS 8 -1.349 -0.560 -7.227 46 H VAL 9 H VAL 9 -3.225 4.171 -4.925 47 HA VAL 9 HA VAL 9 -5.438 2.423 -4.684 48 HB VAL 9 HB VAL 9 -5.038 3.834 -2.834 49 HG11 VAL 9 1HG1 VAL 9 -4.313 5.768 -4.904 50 HG12 VAL 9 2HG1 VAL 9 -3.628 5.484 -3.303 51 HG13 VAL 9 3HG1 VAL 9 -5.086 6.448 -3.481 52 HG21 VAL 9 3HG2 VAL 9 -7.488 3.950 -3.775 53 HG22 VAL 9 1HG2 VAL 9 -7.068 5.637 -4.060 54 HG23 VAL 9 2HG2 VAL 9 -6.980 4.976 -2.423 55 HA PRO 10 HA PRO 10 -7.039 3.916 -8.691 56 HB2 PRO 10 2HB PRO 10 -8.721 1.828 -9.054 57 HB3 PRO 10 1HB PRO 10 -6.992 1.707 -9.408 58 HG2 PRO 10 2HG PRO 10 -8.488 0.807 -6.967 59 HG3 PRO 10 1HG PRO 10 -7.252 -0.052 -7.903 60 HD2 PRO 10 2HD PRO 10 -6.656 1.223 -5.595 61 HD3 PRO 10 1HD PRO 10 -5.521 1.129 -6.953 62 H GLY 11 H GLY 11 -8.494 2.904 -5.742 63 HA2 GLY 11 2HA GLY 11 -10.231 5.010 -5.440 64 HA3 GLY 11 1HA GLY 11 -11.148 3.755 -6.261 65 H CYS 12 H CYS 12 -8.638 2.695 -4.082 66 HA CYS 12 HA CYS 12 -10.469 1.244 -2.571 67 HB2 CYS 12 2HB CYS 12 -8.412 1.394 -0.790 68 HB3 CYS 12 1HB CYS 12 -8.542 0.218 -2.075 69 H TYR 13 H TYR 13 -8.547 3.129 -0.376 70 HA TYR 13 HA TYR 13 -11.024 4.462 0.482 71 HB2 TYR 13 2HB TYR 13 -9.846 2.631 1.928 72 HB3 TYR 13 1HB TYR 13 -8.823 3.970 2.397 73 HD1 TYR 13 2HD TYR 13 -12.474 3.802 1.680 74 HD2 TYR 13 1HD TYR 13 -9.458 4.604 4.571 75 HE1 TYR 13 2HE TYR 13 -14.199 4.529 3.273 76 HE2 TYR 13 1HE TYR 13 -11.172 5.334 6.169 77 HH TYR 13 HH TYR 13 -13.556 5.029 6.580 78 H ASN 14 H ASN 14 -7.615 4.764 1.044 79 HA ASN 14 HA ASN 14 -7.675 7.654 0.598 80 HB2 ASN 14 2HB ASN 14 -5.546 7.295 2.101 81 HB3 ASN 14 1HB ASN 14 -7.040 7.810 2.744 82 HD21 ASN 14 1HD2 ASN 14 -8.463 5.530 2.933 83 HD22 ASN 14 2HD2 ASN 14 -7.658 4.357 3.917 84 H ASN 15 H ASN 15 -5.430 8.621 -0.201 85 HA ASN 15 HA ASN 15 -4.173 6.455 -1.722 86 HB2 ASN 15 2HB ASN 15 -3.609 9.296 -2.456 87 HB3 ASN 15 1HB ASN 15 -3.766 7.890 -3.494 88 HD21 ASN 15 1HD2 ASN 15 -6.334 7.075 -2.374 89 HD22 ASN 15 2HD2 ASN 15 -7.499 8.194 -2.970 90 H SER 16 H SER 16 -1.607 6.753 -2.021 91 HA SER 16 HA SER 16 -0.547 7.269 0.562 92 HB2 SER 16 2HB SER 16 0.173 5.238 -0.726 93 HB3 SER 16 1HB SER 16 0.818 6.247 -1.969 94 HG SER 16 HG SER 16 2.110 7.206 -0.155 95 H HIS 17 H HIS 17 -1.207 9.363 -1.966 96 HA HIS 17 HA HIS 17 0.876 11.193 -1.039 97 HB2 HIS 17 2HB HIS 17 1.470 11.923 -3.231 98 HB3 HIS 17 1HB HIS 17 1.555 10.167 -3.285 99 HD1 HIS 17 1HD HIS 17 -1.359 9.456 -3.847 100 HD2 HIS 17 2HD HIS 17 0.628 12.596 -5.705 101 HE1 HIS 17 1HE HIS 17 -2.604 9.864 -5.990 102 HE2 HIS 17 2HE HIS 17 -1.375 11.756 -7.108 103 H ARG 18 H ARG 18 -2.273 10.687 -2.457 104 HA ARG 18 HA ARG 18 -2.889 13.536 -2.323 105 HB2 ARG 18 2HB ARG 18 -3.413 11.843 -4.259 106 HB3 ARG 18 1HB ARG 18 -4.799 11.455 -3.260 107 HG2 ARG 18 2HG ARG 18 -5.470 13.813 -3.307 108 HG3 ARG 18 1HG ARG 18 -4.112 14.153 -4.384 109 HD2 ARG 18 2HD ARG 18 -5.498 11.928 -5.439 110 HD3 ARG 18 1HD ARG 18 -6.705 13.153 -5.038 111 HE ARG 18 HE ARG 18 -4.830 14.571 -6.364 112 HH11 ARG 18 1HH1 ARG 18 -6.529 11.615 -7.115 113 HH12 ARG 18 2HH1 ARG 18 -6.467 11.867 -8.826 114 HH21 ARG 18 1HH2 ARG 18 -4.748 14.902 -8.617 115 HH22 ARG 18 2HH2 ARG 18 -5.456 13.731 -9.679 116 H ASP 19 H ASP 19 -2.584 12.401 0.180 117 HA ASP 19 HA ASP 19 -4.961 13.122 1.427 118 HB2 ASP 19 2HB ASP 19 -6.186 11.260 1.400 119 HB3 ASP 19 1HB ASP 19 -4.922 10.423 0.529 120 H LYS 20 H LYS 20 -2.544 10.639 2.193 121 HA LYS 20 HA LYS 20 -1.152 10.362 3.978 122 HB2 LYS 20 2HB LYS 20 0.385 12.085 4.341 123 HB3 LYS 20 1HB LYS 20 -0.170 12.350 2.699 124 HG2 LYS 20 2HG LYS 20 -0.966 14.370 3.181 125 HG3 LYS 20 1HG LYS 20 -1.752 13.810 4.654 126 HD2 LYS 20 2HD LYS 20 1.067 13.785 5.070 127 HD3 LYS 20 1HD LYS 20 0.614 15.350 4.392 128 HE2 LYS 20 2HE LYS 20 -0.350 14.049 6.920 129 HE3 LYS 20 1HE LYS 20 0.428 15.617 6.718 130 HZ1 LYS 20 3HZ LYS 20 -1.734 16.247 6.958 131 HZ2 LYS 20 1HZ LYS 20 -2.359 14.847 6.239 132 HZ3 LYS 20 2HZ LYS 20 -1.694 16.069 5.277 133 H ALA 21 H ALA 21 -4.036 11.321 4.402 134 HA ALA 21 HA ALA 21 -3.817 12.067 7.237 135 HB1 ALA 21 1HB ALA 21 -6.389 12.697 6.618 136 HB2 ALA 21 2HB ALA 21 -5.552 13.024 5.099 137 HB3 ALA 21 3HB ALA 21 -5.021 13.812 6.585 138 H LEU 22 H LEU 22 -5.995 10.022 5.141 139 HA LEU 22 HA LEU 22 -7.556 8.982 7.148 140 HB2 LEU 22 2HB LEU 22 -6.830 7.404 4.678 141 HB3 LEU 22 1HB LEU 22 -8.403 7.543 5.462 142 HG LEU 22 HG LEU 22 -7.236 9.115 3.304 143 HD11 LEU 22 1HD1 LEU 22 -9.840 8.127 4.206 144 HD12 LEU 22 2HD1 LEU 22 -9.195 8.321 2.573 145 HD13 LEU 22 3HD1 LEU 22 -9.885 9.702 3.418 146 HD21 LEU 22 3HD2 LEU 22 -8.067 10.478 5.740 147 HD22 LEU 22 1HD2 LEU 22 -8.805 11.056 4.251 148 HD23 LEU 22 2HD2 LEU 22 -7.052 11.012 4.404 149 H HIS 23 H HIS 23 -6.989 5.909 6.856 150 HA HIS 23 HA HIS 23 -4.856 5.943 8.802 151 HB2 HIS 23 2HB HIS 23 -7.279 4.555 8.556 152 HB3 HIS 23 1HB HIS 23 -6.043 3.338 8.267 153 HD1 HIS 23 1HD HIS 23 -5.599 6.178 10.706 154 HD2 HIS 23 2HD HIS 23 -6.288 2.081 10.712 155 HE1 HIS 23 1HE HIS 23 -5.334 5.456 13.100 156 HE2 HIS 23 2HE HIS 23 -5.685 2.961 13.067 157 H PHE 24 H PHE 24 -2.881 4.592 8.517 158 HA PHE 24 HA PHE 24 -2.629 3.475 5.833 159 HB2 PHE 24 2HB PHE 24 -0.610 5.105 7.358 160 HB3 PHE 24 1HB PHE 24 -0.241 4.226 5.886 161 HD1 PHE 24 2HD PHE 24 -2.227 7.010 7.286 162 HD2 PHE 24 1HD PHE 24 -0.784 5.141 3.740 163 HE1 PHE 24 2HE PHE 24 -2.894 8.979 5.967 164 HE2 PHE 24 1HE PHE 24 -1.422 7.101 2.431 165 HZ PHE 24 HZ PHE 24 -2.494 9.029 3.525 166 H TYR 25 H TYR 25 -1.756 1.291 5.788 167 HA TYR 25 HA TYR 25 -1.021 0.107 8.317 168 HB2 TYR 25 2HB TYR 25 -1.526 -0.976 5.548 169 HB3 TYR 25 1HB TYR 25 -0.714 -1.966 6.753 170 HD1 TYR 25 2HD TYR 25 -3.523 0.429 7.198 171 HD2 TYR 25 1HD TYR 25 -2.264 -3.632 7.281 172 HE1 TYR 25 2HE TYR 25 -5.708 -0.220 8.121 173 HE2 TYR 25 1HE TYR 25 -4.446 -4.298 8.205 174 HH TYR 25 HH TYR 25 -6.299 -3.233 9.499 175 H THR 26 H THR 26 1.171 -1.094 8.509 176 HA THR 26 HA THR 26 3.159 0.435 6.981 177 HB THR 26 HB THR 26 4.341 -1.061 9.149 178 HG1 THR 26 1HG THR 26 2.501 -1.146 10.269 179 HG21 THR 26 3HG2 THR 26 4.066 1.626 9.910 180 HG22 THR 26 1HG2 THR 26 4.317 1.620 8.165 181 HG23 THR 26 2HG2 THR 26 5.483 0.832 9.230 182 H PHE 27 H PHE 27 5.347 -0.836 6.681 183 HA PHE 27 HA PHE 27 4.709 -3.043 5.053 184 HB2 PHE 27 2HB PHE 27 6.645 -1.092 5.197 185 HB3 PHE 27 1HB PHE 27 7.512 -2.605 5.246 186 HD1 PHE 27 1HD PHE 27 4.395 -2.621 3.407 187 HD2 PHE 27 2HD PHE 27 8.563 -1.802 3.145 188 HE1 PHE 27 1HE PHE 27 4.286 -2.751 0.965 189 HE2 PHE 27 2HE PHE 27 8.444 -1.953 0.709 190 HZ PHE 27 HZ PHE 27 6.283 -2.426 -0.393 191 HA PRO 28 HA PRO 28 5.524 -6.541 7.864 192 HB2 PRO 28 2HB PRO 28 6.746 -7.467 5.244 193 HB3 PRO 28 1HB PRO 28 5.860 -8.444 6.410 194 HG2 PRO 28 2HG PRO 28 4.606 -7.543 4.314 195 HG3 PRO 28 1HG PRO 28 3.817 -7.389 5.891 196 HD2 PRO 28 2HD PRO 28 5.039 -5.314 4.175 197 HD3 PRO 28 1HD PRO 28 3.723 -5.184 5.334 198 H LYS 29 H LYS 29 7.575 -7.905 8.477 199 HA LYS 29 HA LYS 29 9.846 -6.096 8.588 200 HB2 LYS 29 2HB LYS 29 10.545 -8.480 9.893 201 HB3 LYS 29 1HB LYS 29 10.046 -6.966 10.630 202 HG2 LYS 29 2HG LYS 29 7.737 -7.707 10.652 203 HG3 LYS 29 1HG LYS 29 8.190 -9.202 9.830 204 HD2 LYS 29 2HD LYS 29 9.303 -8.361 12.502 205 HD3 LYS 29 1HD LYS 29 7.889 -9.400 12.316 206 HE2 LYS 29 2HE LYS 29 10.716 -9.951 11.440 207 HE3 LYS 29 1HE LYS 29 9.777 -10.813 12.658 208 HZ1 LYS 29 3HZ LYS 29 8.226 -11.434 10.813 209 HZ2 LYS 29 1HZ LYS 29 9.766 -12.127 10.712 210 HZ3 LYS 29 2HZ LYS 29 9.363 -10.816 9.722 211 H ASP 30 H ASP 30 8.875 -8.846 6.823 212 HA ASP 30 HA ASP 30 11.551 -9.712 6.128 213 HB2 ASP 30 2HB ASP 30 9.520 -10.679 4.331 214 HB3 ASP 30 1HB ASP 30 10.476 -11.608 5.474 215 H ALA 31 H ALA 31 12.770 -8.518 4.717 216 HA ALA 31 HA ALA 31 11.985 -6.377 3.297 217 HB1 ALA 31 1HB ALA 31 13.993 -7.081 1.720 218 HB2 ALA 31 2HB ALA 31 14.254 -8.262 3.009 219 HB3 ALA 31 3HB ALA 31 14.224 -6.545 3.377 220 H GLU 32 H GLU 32 12.385 -9.546 1.482 221 HA GLU 32 HA GLU 32 11.209 -8.616 -0.867 222 HB2 GLU 32 2HB GLU 32 12.297 -10.692 -0.931 223 HB3 GLU 32 1HB GLU 32 11.355 -11.412 0.310 224 HG2 GLU 32 2HG GLU 32 10.157 -10.569 -2.308 225 HG3 GLU 32 1HG GLU 32 10.942 -12.132 -2.098 226 H LEU 33 H LEU 33 9.227 -10.551 1.550 227 HA LEU 33 HA LEU 33 6.889 -10.266 0.277 228 HB2 LEU 33 2HB LEU 33 7.378 -11.026 2.726 229 HB3 LEU 33 1HB LEU 33 7.042 -9.375 3.148 230 HG LEU 33 HG LEU 33 4.886 -9.788 3.214 231 HD11 LEU 33 1HD1 LEU 33 5.131 -10.929 0.434 232 HD12 LEU 33 2HD1 LEU 33 4.719 -9.272 0.857 233 HD13 LEU 33 3HD1 LEU 33 3.614 -10.585 1.258 234 HD21 LEU 33 3HD2 LEU 33 4.152 -12.215 2.697 235 HD22 LEU 33 1HD2 LEU 33 5.188 -11.883 4.083 236 HD23 LEU 33 2HD2 LEU 33 5.884 -12.511 2.587 237 H ARG 34 H ARG 34 8.673 -7.788 1.865 238 HA ARG 34 HA ARG 34 6.818 -5.679 1.725 239 HB2 ARG 34 2HB ARG 34 8.431 -4.295 2.573 240 HB3 ARG 34 1HB ARG 34 9.122 -5.836 3.021 241 HG2 ARG 34 2HG ARG 34 10.996 -5.219 2.023 242 HG3 ARG 34 1HG ARG 34 10.161 -5.194 0.483 243 HD2 ARG 34 2HD ARG 34 9.963 -2.950 0.466 244 HD3 ARG 34 1HD ARG 34 9.805 -2.845 2.218 245 HE ARG 34 HE ARG 34 12.429 -3.609 1.323 246 HH11 ARG 34 1HH1 ARG 34 10.317 -0.926 2.056 247 HH12 ARG 34 2HH1 ARG 34 11.618 0.176 2.358 248 HH21 ARG 34 1HH2 ARG 34 14.139 -2.161 1.723 249 HH22 ARG 34 2HH2 ARG 34 13.789 -0.525 2.169 250 H ARG 35 H ARG 35 9.564 -6.346 -0.382 251 HA ARG 35 HA ARG 35 8.920 -4.350 -2.188 252 HB2 ARG 35 2HB ARG 35 10.433 -5.296 -3.710 253 HB3 ARG 35 1HB ARG 35 11.080 -5.673 -2.128 254 HG2 ARG 35 2HG ARG 35 11.395 -7.559 -3.508 255 HG3 ARG 35 1HG ARG 35 10.123 -7.972 -2.373 256 HD2 ARG 35 2HD ARG 35 8.676 -8.346 -4.039 257 HD3 ARG 35 1HD ARG 35 9.040 -6.788 -4.780 258 HE ARG 35 HE ARG 35 11.136 -8.592 -5.302 259 HH11 ARG 35 1HH1 ARG 35 7.813 -7.988 -6.182 260 HH12 ARG 35 2HH1 ARG 35 7.964 -8.711 -7.746 261 HH21 ARG 35 1HH2 ARG 35 11.336 -9.544 -7.361 262 HH22 ARG 35 2HH2 ARG 35 9.965 -9.597 -8.417 263 H LEU 36 H LEU 36 7.597 -7.595 -1.714 264 HA LEU 36 HA LEU 36 6.227 -7.642 -4.250 265 HB2 LEU 36 2HB LEU 36 5.656 -8.948 -1.616 266 HB3 LEU 36 1HB LEU 36 4.473 -9.012 -2.897 267 HG LEU 36 HG LEU 36 7.279 -10.109 -2.987 268 HD11 LEU 36 1HD1 LEU 36 6.175 -12.262 -3.173 269 HD12 LEU 36 2HD1 LEU 36 4.596 -11.479 -3.082 270 HD13 LEU 36 3HD1 LEU 36 5.682 -11.441 -1.692 271 HD21 LEU 36 3HD2 LEU 36 6.115 -11.079 -5.197 272 HD22 LEU 36 1HD2 LEU 36 7.076 -9.598 -5.183 273 HD23 LEU 36 2HD2 LEU 36 5.315 -9.509 -5.111 274 H TRP 37 H TRP 37 5.247 -6.349 -1.111 275 HA TRP 37 HA TRP 37 2.734 -5.468 -1.997 276 HB2 TRP 37 2HB TRP 37 4.604 -4.661 0.216 277 HB3 TRP 37 1HB TRP 37 3.152 -3.712 -0.114 278 HD1 TRP 37 HD TRP 37 3.213 -7.486 -0.534 279 HE1 TRP 37 1HE TRP 37 1.589 -8.529 1.223 280 HE3 TRP 37 3HE TRP 37 2.100 -3.289 2.105 281 HZ2 TRP 37 2HZ TRP 37 -0.034 -7.590 3.384 282 HZ3 TRP 37 3HZ TRP 37 0.514 -3.405 3.940 283 HH2 TRP 37 HH TRP 37 -0.552 -5.478 4.563 284 H LEU 38 H LEU 38 6.023 -3.967 -2.084 285 HA LEU 38 HA LEU 38 5.522 -1.389 -2.780 286 HB2 LEU 38 2HB LEU 38 7.464 -3.319 -4.086 287 HB3 LEU 38 1HB LEU 38 7.431 -1.618 -4.415 288 HG LEU 38 HG LEU 38 7.990 -2.903 -1.762 289 HD11 LEU 38 1HD1 LEU 38 10.191 -2.432 -2.088 290 HD12 LEU 38 2HD1 LEU 38 9.855 -1.043 -3.122 291 HD13 LEU 38 3HD1 LEU 38 9.713 -2.678 -3.768 292 HD21 LEU 38 3HD2 LEU 38 7.788 0.013 -2.489 293 HD22 LEU 38 1HD2 LEU 38 8.385 -0.617 -0.954 294 HD23 LEU 38 2HD2 LEU 38 6.706 -0.878 -1.420 295 H LYS 39 H LYS 39 5.345 -4.298 -4.995 296 HA LYS 39 HA LYS 39 4.560 -3.045 -7.283 297 HB2 LYS 39 2HB LYS 39 4.395 -5.714 -6.082 298 HB3 LYS 39 1HB LYS 39 3.218 -5.437 -7.342 299 HG2 LYS 39 2HG LYS 39 5.607 -6.439 -7.798 300 HG3 LYS 39 1HG LYS 39 4.794 -5.402 -8.975 301 HD2 LYS 39 2HD LYS 39 6.400 -3.936 -7.008 302 HD3 LYS 39 1HD LYS 39 7.337 -5.047 -8.006 303 HE2 LYS 39 2HE LYS 39 5.555 -2.805 -8.937 304 HE3 LYS 39 1HE LYS 39 7.306 -2.925 -9.101 305 HZ1 LYS 39 3HZ LYS 39 6.592 -5.126 -10.362 306 HZ2 LYS 39 1HZ LYS 39 6.714 -3.632 -11.148 307 HZ3 LYS 39 2HZ LYS 39 5.201 -4.209 -10.656 308 H ASN 40 H ASN 40 2.256 -4.546 -5.017 309 HA ASN 40 HA ASN 40 -0.013 -3.598 -6.352 310 HB2 ASN 40 2HB ASN 40 -0.844 -3.894 -3.731 311 HB3 ASN 40 1HB ASN 40 -0.890 -5.118 -4.983 312 HD21 ASN 40 1HD2 ASN 40 -0.668 -5.256 -2.111 313 HD22 ASN 40 2HD2 ASN 40 0.749 -6.170 -1.796 314 H VAL 41 H VAL 41 1.971 -2.077 -4.011 315 HA VAL 41 HA VAL 41 -0.052 -0.207 -3.306 316 HB VAL 41 HB VAL 41 2.199 -1.048 -2.000 317 HG11 VAL 41 1HG1 VAL 41 3.544 0.922 -1.644 318 HG12 VAL 41 2HG1 VAL 41 2.523 1.844 -2.750 319 HG13 VAL 41 3HG1 VAL 41 3.519 0.529 -3.363 320 HG21 VAL 41 3HG2 VAL 41 1.236 1.367 -0.834 321 HG22 VAL 41 1HG2 VAL 41 0.878 -0.300 -0.383 322 HG23 VAL 41 2HG2 VAL 41 -0.129 0.526 -1.579 323 H SER 42 H SER 42 2.402 -0.157 -5.821 324 HA SER 42 HA SER 42 1.530 1.855 -7.278 325 HB2 SER 42 2HB SER 42 1.178 3.700 -5.956 326 HB3 SER 42 1HB SER 42 2.250 3.139 -4.653 327 HG SER 42 HG SER 42 3.204 4.176 -7.134 328 H ARG 43 H ARG 43 4.742 2.941 -5.932 329 HA ARG 43 HA ARG 43 6.811 2.724 -6.798 330 HB2 ARG 43 2HB ARG 43 5.814 0.149 -6.763 331 HB3 ARG 43 1HB ARG 43 6.413 0.315 -8.404 332 HG2 ARG 43 2HG ARG 43 7.989 0.789 -5.898 333 HG3 ARG 43 1HG ARG 43 8.092 -0.597 -6.983 334 HD2 ARG 43 2HD ARG 43 9.312 0.512 -8.510 335 HD3 ARG 43 1HD ARG 43 8.408 2.008 -8.289 336 HE ARG 43 HE ARG 43 9.992 2.707 -6.795 337 HH11 ARG 43 1HH1 ARG 43 10.364 -0.727 -7.298 338 HH12 ARG 43 2HH1 ARG 43 11.868 -0.814 -6.443 339 HH21 ARG 43 1HH2 ARG 43 11.976 2.595 -5.683 340 HH22 ARG 43 2HH2 ARG 43 12.780 1.069 -5.523 341 H ALA 44 H ALA 44 4.506 1.650 -9.332 342 HA ALA 44 HA ALA 44 6.056 2.763 -11.458 343 HB1 ALA 44 1HB ALA 44 3.578 1.240 -11.152 344 HB2 ALA 44 2HB ALA 44 4.801 1.176 -12.421 345 HB3 ALA 44 3HB ALA 44 3.528 2.397 -12.485 346 H GLY 45 H GLY 45 6.182 5.112 -10.324 347 HA2 GLY 45 2HA GLY 45 3.770 6.627 -10.258 348 HA3 GLY 45 1HA GLY 45 5.402 7.251 -10.138 349 H VAL 46 H VAL 46 4.199 5.395 -12.875 350 HA VAL 46 HA VAL 46 4.273 5.885 -15.111 351 HB VAL 46 HB VAL 46 2.045 6.619 -14.497 352 HG11 VAL 46 1HG1 VAL 46 1.609 9.045 -14.087 353 HG12 VAL 46 2HG1 VAL 46 3.347 9.273 -13.909 354 HG13 VAL 46 3HG1 VAL 46 2.475 8.227 -12.787 355 HG21 VAL 46 3HG2 VAL 46 3.200 7.112 -16.810 356 HG22 VAL 46 1HG2 VAL 46 2.945 8.789 -16.324 357 HG23 VAL 46 2HG2 VAL 46 1.572 7.692 -16.461 358 H SER 47 H SER 47 6.738 6.545 -14.290 359 HA SER 47 HA SER 47 7.338 8.859 -15.964 360 HB2 SER 47 2HB SER 47 8.329 10.216 -14.330 361 HB3 SER 47 1HB SER 47 6.897 9.613 -13.495 362 HG SER 47 HG SER 47 8.391 9.155 -12.046 363 H GLY 48 H GLY 48 8.976 6.643 -13.410 364 HA2 GLY 48 2HA GLY 48 10.687 5.146 -13.835 365 HA3 GLY 48 1HA GLY 48 10.648 5.599 -15.532 366 H CYS 49 H CYS 49 11.411 7.958 -15.904 367 HA CYS 49 HA CYS 49 14.112 8.116 -15.166 368 HB2 CYS 49 2HB CYS 49 12.218 9.726 -16.704 369 HB3 CYS 49 1HB CYS 49 13.424 10.704 -15.876 370 HG CYS 49 HG CYS 49 14.343 10.054 -18.219 371 H PHE 50 H PHE 50 11.220 9.365 -13.688 372 HA PHE 50 HA PHE 50 12.704 11.104 -11.870 373 HB2 PHE 50 2HB PHE 50 9.877 10.705 -12.638 374 HB3 PHE 50 1HB PHE 50 10.117 11.041 -10.928 375 HD1 PHE 50 1HD PHE 50 11.974 12.296 -13.897 376 HD2 PHE 50 2HD PHE 50 9.430 13.225 -10.616 377 HE1 PHE 50 1HE PHE 50 12.202 14.693 -14.405 378 HE2 PHE 50 2HE PHE 50 9.651 15.625 -11.118 379 HZ PHE 50 HZ PHE 50 11.039 16.360 -13.016 380 H SER 51 H SER 51 10.353 8.294 -11.424 381 HA SER 51 HA SER 51 10.239 6.737 -9.775 382 HB2 SER 51 2HB SER 51 13.195 7.296 -9.425 383 HB3 SER 51 1HB SER 51 12.331 5.853 -8.896 384 HG SER 51 HG SER 51 12.779 6.718 -11.559 385 H THR 52 H THR 52 9.312 9.132 -8.985 386 HA THR 52 HA THR 52 10.564 10.123 -6.624 387 HB THR 52 HB THR 52 8.856 11.695 -6.549 388 HG1 THR 52 1HG THR 52 7.107 9.919 -7.890 389 HG21 THR 52 3HG2 THR 52 8.571 12.558 -8.648 390 HG22 THR 52 1HG2 THR 52 8.259 10.981 -9.375 391 HG23 THR 52 2HG2 THR 52 9.906 11.443 -8.949 392 H PHE 53 H PHE 53 8.953 10.322 -4.559 393 HA PHE 53 HA PHE 53 8.295 9.208 -2.707 394 HB2 PHE 53 2HB PHE 53 6.294 7.906 -2.923 395 HB3 PHE 53 1HB PHE 53 6.176 9.270 -4.025 396 HD1 PHE 53 2HD PHE 53 6.686 5.635 -3.763 397 HD2 PHE 53 1HD PHE 53 6.024 8.917 -6.380 398 HE1 PHE 53 2HE PHE 53 6.191 4.069 -5.577 399 HE2 PHE 53 1HE PHE 53 5.517 7.354 -8.209 400 HZ PHE 53 HZ PHE 53 5.598 4.924 -7.809 401 H GLN 54 H GLN 54 10.630 8.058 -4.096 402 HA GLN 54 HA GLN 54 10.898 5.427 -4.414 403 HB2 GLN 54 2HB GLN 54 12.598 7.505 -3.384 404 HB3 GLN 54 1HB GLN 54 12.936 5.997 -2.545 405 HG2 GLN 54 2HG GLN 54 12.940 5.029 -4.990 406 HG3 GLN 54 1HG GLN 54 13.297 6.703 -5.407 407 HE21 GLN 54 1HE2 GLN 54 14.895 7.532 -3.418 408 HE22 GLN 54 2HE2 GLN 54 16.354 6.609 -3.376 409 HA PRO 55 HA PRO 55 9.190 3.411 -0.843 410 HB2 PRO 55 2HB PRO 55 10.681 1.008 -1.494 411 HB3 PRO 55 1HB PRO 55 8.948 1.308 -1.596 412 HG2 PRO 55 2HG PRO 55 10.569 1.008 -3.779 413 HG3 PRO 55 1HG PRO 55 9.041 1.904 -3.789 414 HD2 PRO 55 2HD PRO 55 11.839 2.921 -3.715 415 HD3 PRO 55 1HD PRO 55 10.399 3.614 -4.486 416 H THR 56 H THR 56 12.538 3.860 -1.384 417 HA THR 56 HA THR 56 13.823 2.491 0.631 418 HB THR 56 HB THR 56 14.955 3.982 -0.979 419 HG1 THR 56 1HG THR 56 16.042 3.452 0.946 420 HG21 THR 56 3HG2 THR 56 14.898 6.266 -0.992 421 HG22 THR 56 1HG2 THR 56 14.350 6.374 0.680 422 HG23 THR 56 2HG2 THR 56 13.223 5.891 -0.587 423 H THR 57 H THR 57 11.952 5.623 0.923 424 HA THR 57 HA THR 57 12.484 6.037 3.645 425 HB THR 57 HB THR 57 11.569 7.812 2.321 426 HG1 THR 57 1HG THR 57 10.446 8.499 3.937 427 HG21 THR 57 3HG2 THR 57 10.098 7.412 0.718 428 HG22 THR 57 1HG2 THR 57 8.869 7.226 1.968 429 HG23 THR 57 2HG2 THR 57 9.738 5.814 1.371 430 H GLY 58 H GLY 58 10.292 3.856 2.035 431 HA2 GLY 58 2HA GLY 58 9.594 1.911 3.390 432 HA3 GLY 58 1HA GLY 58 9.303 3.039 4.688 433 H HIS 59 H HIS 59 7.757 1.707 1.697 434 HA HIS 59 HA HIS 59 5.670 3.671 1.847 435 HB2 HIS 59 2HB HIS 59 6.435 1.561 0.005 436 HB3 HIS 59 1HB HIS 59 4.697 1.578 0.286 437 HD1 HIS 59 1HD HIS 59 7.050 4.519 0.063 438 HD2 HIS 59 2HD HIS 59 3.785 2.904 -1.981 439 HE1 HIS 59 1HE HIS 59 6.466 6.196 -1.702 440 HE2 HIS 59 2HE HIS 59 4.579 5.143 -3.003 441 H ARG 60 H ARG 60 3.627 3.431 2.476 442 HA ARG 60 HA ARG 60 3.013 1.191 4.300 443 HB2 ARG 60 2HB ARG 60 1.797 2.743 5.621 444 HB3 ARG 60 1HB ARG 60 3.270 3.584 5.177 445 HG2 ARG 60 2HG ARG 60 1.776 4.416 3.165 446 HG3 ARG 60 1HG ARG 60 0.487 4.093 4.319 447 HD2 ARG 60 2HD ARG 60 1.118 5.785 5.699 448 HD3 ARG 60 1HD ARG 60 2.829 5.592 5.324 449 HE ARG 60 HE ARG 60 1.258 6.645 3.152 450 HH11 ARG 60 1HH1 ARG 60 3.099 7.430 6.011 451 HH12 ARG 60 2HH1 ARG 60 3.428 9.054 5.506 452 HH21 ARG 60 1HH2 ARG 60 1.686 8.779 2.486 453 HH22 ARG 60 2HH2 ARG 60 2.623 9.822 3.504 454 H LEU 61 H LEU 61 0.448 0.810 4.347 455 HA LEU 61 HA LEU 61 -0.524 1.132 1.604 456 HB2 LEU 61 2HB LEU 61 0.123 -1.193 2.536 457 HB3 LEU 61 1HB LEU 61 -1.409 -1.129 3.381 458 HG LEU 61 HG LEU 61 -2.569 -1.655 1.555 459 HD11 LEU 61 1HD1 LEU 61 -2.534 0.263 0.348 460 HD12 LEU 61 2HD1 LEU 61 -1.691 -0.821 -0.755 461 HD13 LEU 61 3HD1 LEU 61 -0.788 0.287 0.259 462 HD21 LEU 61 3HD2 LEU 61 0.086 -2.273 0.290 463 HD22 LEU 61 1HD2 LEU 61 -1.469 -3.021 -0.056 464 HD23 LEU 61 2HD2 LEU 61 -0.697 -3.294 1.497 465 H CYS 62 H CYS 62 -3.095 1.339 1.375 466 HA CYS 62 HA CYS 62 -4.058 2.590 3.809 467 HB2 CYS 62 2HB CYS 62 -4.960 4.319 2.666 468 HB3 CYS 62 1HB CYS 62 -3.654 3.941 1.637 469 H SER 63 H SER 63 -6.735 2.676 3.772 470 HA SER 63 HA SER 63 -7.424 0.359 4.886 471 HB2 SER 63 2HB SER 63 -8.577 2.927 4.312 472 HB3 SER 63 1HB SER 63 -9.816 1.697 4.195 473 HG SER 63 HG SER 63 -9.481 1.130 6.276 474 H VAL 64 H VAL 64 -9.979 1.108 3.183 475 HA VAL 64 HA VAL 64 -11.233 -1.119 2.779 476 HB VAL 64 HB VAL 64 -12.502 -0.188 0.919 477 HG11 VAL 64 1HG1 VAL 64 -11.802 1.732 3.137 478 HG12 VAL 64 2HG1 VAL 64 -13.046 0.484 3.175 479 HG13 VAL 64 3HG1 VAL 64 -13.216 1.867 2.093 480 HG21 VAL 64 3HG2 VAL 64 -11.454 1.098 -0.533 481 HG22 VAL 64 1HG2 VAL 64 -10.047 1.247 0.528 482 HG23 VAL 64 2HG2 VAL 64 -11.409 2.365 0.695 483 H HIS 65 H HIS 65 -8.808 -2.085 2.124 484 HA HIS 65 HA HIS 65 -9.132 -2.925 -0.695 485 HB2 HIS 65 2HB HIS 65 -6.655 -3.536 0.827 486 HB3 HIS 65 1HB HIS 65 -6.878 -3.318 -0.900 487 HD1 HIS 65 1HD HIS 65 -8.453 -0.491 0.523 488 HD2 HIS 65 2HD HIS 65 -4.574 -1.669 -0.138 489 HE1 HIS 65 1HE HIS 65 -7.099 1.575 0.761 490 H PHE 66 H PHE 66 -8.017 -4.534 2.410 491 HA PHE 66 HA PHE 66 -8.163 -7.087 1.496 492 HB2 PHE 66 2HB PHE 66 -8.903 -6.220 4.304 493 HB3 PHE 66 1HB PHE 66 -8.145 -7.730 3.820 494 HD1 PHE 66 1HD PHE 66 -5.831 -7.750 3.029 495 HD2 PHE 66 2HD PHE 66 -7.568 -4.226 4.694 496 HE1 PHE 66 1HE PHE 66 -3.591 -6.819 3.386 497 HE2 PHE 66 2HE PHE 66 -5.317 -3.305 5.061 498 HZ PHE 66 HZ PHE 66 -3.330 -4.607 4.408 499 H GLN 67 H GLN 67 -9.947 -8.828 2.265 500 HA GLN 67 HA GLN 67 -12.531 -7.680 1.575 501 HB2 GLN 67 2HB GLN 67 -13.197 -10.088 1.321 502 HB3 GLN 67 1HB GLN 67 -11.946 -9.529 0.222 503 HG2 GLN 67 2HG GLN 67 -10.727 -10.592 2.576 504 HG3 GLN 67 1HG GLN 67 -11.896 -11.749 1.944 505 HE21 GLN 67 1HE2 GLN 67 -9.983 -9.417 0.126 506 HE22 GLN 67 2HE2 GLN 67 -9.085 -10.585 -0.777 507 H GLY 68 H GLY 68 -13.656 -7.033 3.783 508 HA2 GLY 68 2HA GLY 68 -14.736 -7.678 5.715 509 HA3 GLY 68 1HA GLY 68 -13.996 -9.264 5.605 510 H GLY 69 H GLY 69 -11.522 -9.312 6.217 511 HA2 GLY 69 2HA GLY 69 -10.131 -7.328 7.444 512 HA3 GLY 69 1HA GLY 69 -11.240 -7.865 8.696 513 H ARG 70 H ARG 70 -8.338 -8.022 8.701 514 HA ARG 70 HA ARG 70 -6.708 -9.468 9.366 515 HB2 ARG 70 2HB ARG 70 -8.403 -10.358 10.897 516 HB3 ARG 70 1HB ARG 70 -9.005 -11.419 9.633 517 HG2 ARG 70 2HG ARG 70 -7.222 -12.846 9.784 518 HG3 ARG 70 1HG ARG 70 -6.135 -11.597 10.392 519 HD2 ARG 70 2HD ARG 70 -6.486 -12.360 12.447 520 HD3 ARG 70 1HD ARG 70 -8.170 -11.864 12.308 521 HE ARG 70 HE ARG 70 -7.137 -14.538 12.183 522 HH11 ARG 70 1HH1 ARG 70 -9.752 -12.446 11.203 523 HH12 ARG 70 2HH1 ARG 70 -10.889 -13.740 11.027 524 HH21 ARG 70 1HH2 ARG 70 -8.631 -16.242 11.950 525 HH22 ARG 70 2HH2 ARG 70 -10.252 -15.897 11.452 526 H LYS 71 H LYS 71 -6.807 -9.062 6.726 527 HA LYS 71 HA LYS 71 -7.282 -11.025 4.932 528 HB2 LYS 71 2HB LYS 71 -6.433 -9.422 3.660 529 HB3 LYS 71 1HB LYS 71 -5.689 -8.662 5.048 530 HG2 LYS 71 2HG LYS 71 -4.237 -10.972 3.914 531 HG3 LYS 71 1HG LYS 71 -4.353 -9.551 2.890 532 HD2 LYS 71 2HD LYS 71 -2.396 -9.942 4.703 533 HD3 LYS 71 1HD LYS 71 -2.921 -8.356 4.158 534 HE2 LYS 71 2HE LYS 71 -4.423 -9.463 6.447 535 HE3 LYS 71 1HE LYS 71 -2.721 -9.107 6.748 536 HZ1 LYS 71 3HZ LYS 71 -3.219 -6.860 5.721 537 HZ2 LYS 71 1HZ LYS 71 -3.842 -7.152 7.267 538 HZ3 LYS 71 2HZ LYS 71 -4.855 -7.241 5.917 539 H THR 72 H THR 72 -6.945 -13.104 5.260 540 HA THR 72 HA THR 72 -4.341 -14.193 5.031 541 HB THR 72 HB THR 72 -4.652 -15.524 7.277 542 HG1 THR 72 1HG THR 72 -5.906 -13.072 7.929 543 HG21 THR 72 3HG2 THR 72 -3.034 -13.433 6.562 544 HG22 THR 72 1HG2 THR 72 -2.903 -14.389 8.039 545 HG23 THR 72 2HG2 THR 72 -3.789 -12.865 8.051 546 H TYR 73 H TYR 73 -4.373 -16.480 4.720 547 HA TYR 73 HA TYR 73 -5.293 -18.552 4.330 548 HB2 TYR 73 2HB TYR 73 -7.165 -17.535 6.032 549 HB3 TYR 73 1HB TYR 73 -8.125 -17.776 4.578 550 HD1 TYR 73 1HD TYR 73 -6.660 -20.239 3.549 551 HD2 TYR 73 2HD TYR 73 -8.111 -19.200 7.413 552 HE1 TYR 73 1HE TYR 73 -6.890 -22.624 4.100 553 HE2 TYR 73 2HE TYR 73 -8.341 -21.582 7.974 554 HH TYR 73 HH TYR 73 -6.888 -23.980 6.448 555 H THR 74 H THR 74 -5.303 -15.997 2.486 556 HA THR 74 HA THR 74 -5.998 -17.358 0.130 557 HB THR 74 HB THR 74 -7.932 -15.297 -0.059 558 HG1 THR 74 1HG THR 74 -8.683 -16.976 2.058 559 HG21 THR 74 3HG2 THR 74 -8.420 -18.248 0.277 560 HG22 THR 74 1HG2 THR 74 -7.974 -17.465 -1.240 561 HG23 THR 74 2HG2 THR 74 -9.502 -17.061 -0.453 562 H VAL 75 H VAL 75 -6.106 -14.071 1.490 563 HA VAL 75 HA VAL 75 -4.870 -13.057 -0.940 564 HB VAL 75 HB VAL 75 -5.557 -11.228 1.317 565 HG11 VAL 75 1HG1 VAL 75 -6.105 -9.731 -0.484 566 HG12 VAL 75 2HG1 VAL 75 -5.976 -11.039 -1.659 567 HG13 VAL 75 3HG1 VAL 75 -4.537 -10.465 -0.816 568 HG21 VAL 75 3HG2 VAL 75 -7.849 -11.231 0.966 569 HG22 VAL 75 1HG2 VAL 75 -7.467 -12.950 0.932 570 HG23 VAL 75 2HG2 VAL 75 -7.720 -12.076 -0.576 571 H ARG 76 H ARG 76 -2.754 -12.617 -1.102 572 HA ARG 76 HA ARG 76 -1.167 -12.557 1.367 573 HB2 ARG 76 2HB ARG 76 -0.665 -14.190 -0.561 574 HB3 ARG 76 1HB ARG 76 -0.029 -12.788 -1.410 575 HG2 ARG 76 2HG ARG 76 1.866 -13.637 -0.447 576 HG3 ARG 76 1HG ARG 76 1.366 -12.454 0.765 577 HD2 ARG 76 2HD ARG 76 0.478 -14.123 2.172 578 HD3 ARG 76 1HD ARG 76 0.532 -15.338 0.895 579 HE ARG 76 HE ARG 76 3.111 -14.280 1.619 580 HH11 ARG 76 1HH1 ARG 76 0.704 -16.710 2.320 581 HH12 ARG 76 2HH1 ARG 76 1.833 -17.793 3.058 582 HH21 ARG 76 1HH2 ARG 76 4.597 -15.707 2.593 583 HH22 ARG 76 2HH2 ARG 76 4.042 -17.225 3.214 584 H VAL 77 H VAL 77 -1.743 -10.757 -1.640 585 HA VAL 77 HA VAL 77 -0.457 -8.438 -0.380 586 HB VAL 77 HB VAL 77 0.692 -7.851 -2.307 587 HG11 VAL 77 1HG1 VAL 77 1.609 -9.949 -1.569 588 HG12 VAL 77 2HG1 VAL 77 1.679 -9.851 -3.328 589 HG13 VAL 77 3HG1 VAL 77 0.442 -10.838 -2.549 590 HG21 VAL 77 3HG2 VAL 77 -1.201 -7.679 -3.790 591 HG22 VAL 77 1HG2 VAL 77 -1.296 -9.436 -3.918 592 HG23 VAL 77 2HG2 VAL 77 0.097 -8.577 -4.574 593 HA PRO 78 HA PRO 78 -4.544 -6.575 -0.580 594 HB2 PRO 78 2HB PRO 78 -2.748 -4.199 -0.824 595 HB3 PRO 78 1HB PRO 78 -4.234 -4.367 0.106 596 HG2 PRO 78 2HG PRO 78 -2.017 -4.609 1.412 597 HG3 PRO 78 1HG PRO 78 -3.193 -5.927 1.602 598 HD2 PRO 78 2HD PRO 78 -0.778 -5.802 -0.171 599 HD3 PRO 78 1HD PRO 78 -1.278 -7.107 0.946 600 H THR 79 H THR 79 -4.159 -7.553 -3.171 601 HA THR 79 HA THR 79 -4.572 -4.979 -4.532 602 HB THR 79 HB THR 79 -4.425 -6.896 -6.548 603 HG1 THR 79 1HG THR 79 -3.655 -8.497 -5.259 604 HG21 THR 79 3HG2 THR 79 -1.836 -6.075 -6.359 605 HG22 THR 79 1HG2 THR 79 -2.697 -4.785 -5.520 606 HG23 THR 79 2HG2 THR 79 -3.129 -5.198 -7.180 607 H ILE 80 H ILE 80 -6.574 -4.527 -4.380 608 HA ILE 80 HA ILE 80 -8.588 -6.411 -5.401 609 HB ILE 80 HB ILE 80 -8.694 -4.731 -2.917 610 HG12 ILE 80 2HG1 ILE 80 -8.464 -7.263 -2.922 611 HG13 ILE 80 1HG1 ILE 80 -9.767 -6.620 -1.944 612 HG21 ILE 80 1HG2 ILE 80 -11.288 -5.058 -3.116 613 HG22 ILE 80 2HG2 ILE 80 -10.941 -5.021 -4.845 614 HG23 ILE 80 3HG2 ILE 80 -10.491 -3.653 -3.826 615 HD11 ILE 80 3HD1 ILE 80 -10.860 -7.106 -4.480 616 HD12 ILE 80 1HD1 ILE 80 -11.160 -7.972 -2.971 617 HD13 ILE 80 2HD1 ILE 80 -9.882 -8.512 -4.063 618 H PHE 81 H PHE 81 -8.635 -5.435 -7.527 619 HA PHE 81 HA PHE 81 -9.946 -2.903 -7.641 620 HB2 PHE 81 2HB PHE 81 -7.321 -2.729 -9.061 621 HB3 PHE 81 1HB PHE 81 -8.334 -1.447 -8.433 622 HD1 PHE 81 1HD PHE 81 -8.396 -1.347 -5.717 623 HD2 PHE 81 2HD PHE 81 -5.292 -3.105 -8.066 624 HE1 PHE 81 1HE PHE 81 -6.834 -1.122 -3.829 625 HE2 PHE 81 2HE PHE 81 -3.722 -2.857 -6.157 626 HZ PHE 81 HZ PHE 81 -4.517 -1.910 -4.018 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 6.790 10.116 9.343 2 H2 GLY 1 2HT GLY 1 8.359 10.460 9.873 3 H3 GLY 1 3HT GLY 1 7.741 8.893 10.025 4 HA2 GLY 1 1HA GLY 1 9.325 9.116 8.168 5 HA3 GLY 1 2HA GLY 1 7.728 8.563 7.681 6 H SER 2 H SER 2 7.111 9.443 5.832 7 HA SER 2 HA SER 2 7.989 12.181 5.212 8 HB2 SER 2 2HB SER 2 8.090 9.804 3.690 9 HB3 SER 2 1HB SER 2 6.859 10.820 2.938 10 HG SER 2 HG SER 2 9.554 11.511 3.495 11 HA PRO 3 HA PRO 3 3.825 13.623 5.088 12 HB2 PRO 3 2HB PRO 3 3.750 15.307 2.995 13 HB3 PRO 3 1HB PRO 3 4.730 15.642 4.428 14 HG2 PRO 3 2HG PRO 3 5.571 14.532 1.777 15 HG3 PRO 3 1HG PRO 3 6.368 15.757 2.782 16 HD2 PRO 3 2HD PRO 3 7.118 13.125 2.712 17 HD3 PRO 3 1HD PRO 3 7.376 14.185 4.111 18 H GLY 4 H GLY 4 4.853 11.491 2.728 19 HA2 GLY 4 2HA GLY 4 2.490 10.301 2.189 20 HA3 GLY 4 1HA GLY 4 2.530 11.623 1.025 21 H PHE 5 H PHE 5 2.433 9.268 -0.252 22 HA PHE 5 HA PHE 5 5.055 9.065 -1.426 23 HB2 PHE 5 2HB PHE 5 3.939 6.479 -0.400 24 HB3 PHE 5 1HB PHE 5 5.569 6.862 -0.918 25 HD1 PHE 5 1HD PHE 5 3.121 7.423 1.786 26 HD2 PHE 5 2HD PHE 5 7.203 7.561 0.596 27 HE1 PHE 5 1HE PHE 5 3.788 7.801 4.125 28 HE2 PHE 5 2HE PHE 5 7.876 7.941 2.933 29 HZ PHE 5 HZ PHE 5 6.166 8.060 4.701 30 H THR 6 H THR 6 1.779 7.774 -1.330 31 HA THR 6 HA THR 6 0.310 7.847 -3.215 32 HB THR 6 HB THR 6 2.705 7.026 -4.869 33 HG1 THR 6 1HG THR 6 1.393 9.535 -4.817 34 HG21 THR 6 3HG2 THR 6 0.972 8.090 -6.614 35 HG22 THR 6 1HG2 THR 6 -0.152 7.349 -5.475 36 HG23 THR 6 2HG2 THR 6 1.080 6.364 -6.265 37 H CYS 7 H CYS 7 -0.990 6.163 -2.714 38 HA CYS 7 HA CYS 7 0.056 3.480 -2.355 39 HB2 CYS 7 2HB CYS 7 -1.705 3.996 -0.832 40 HB3 CYS 7 1HB CYS 7 -2.779 4.588 -2.088 41 H CYS 8 H CYS 8 -0.500 5.210 -5.073 42 HA CYS 8 HA CYS 8 -1.137 4.698 -7.217 43 HB2 CYS 8 2HB CYS 8 0.690 3.126 -7.128 44 HB3 CYS 8 1HB CYS 8 -0.255 1.986 -6.178 45 HG CYS 8 HG CYS 8 -0.508 2.422 -9.236 46 H VAL 9 H VAL 9 -2.918 4.865 -5.096 47 HA VAL 9 HA VAL 9 -4.909 2.850 -5.076 48 HB VAL 9 HB VAL 9 -4.724 4.095 -3.105 49 HG11 VAL 9 1HG1 VAL 9 -5.024 6.726 -3.378 50 HG12 VAL 9 2HG1 VAL 9 -4.279 6.353 -4.931 51 HG13 VAL 9 3HG1 VAL 9 -3.461 5.914 -3.431 52 HG21 VAL 9 3HG2 VAL 9 -7.162 4.110 -4.198 53 HG22 VAL 9 1HG2 VAL 9 -6.899 5.847 -4.072 54 HG23 VAL 9 2HG2 VAL 9 -6.803 4.837 -2.623 55 HA PRO 10 HA PRO 10 -6.605 4.447 -8.972 56 HB2 PRO 10 2HB PRO 10 -8.044 2.229 -9.547 57 HB3 PRO 10 1HB PRO 10 -6.304 2.328 -9.849 58 HG2 PRO 10 2HG PRO 10 -7.761 1.042 -7.573 59 HG3 PRO 10 1HG PRO 10 -6.368 0.443 -8.492 60 HD2 PRO 10 2HD PRO 10 -6.146 1.613 -6.043 61 HD3 PRO 10 1HD PRO 10 -4.873 1.694 -7.273 62 H GLY 11 H GLY 11 -7.931 3.514 -6.012 63 HA2 GLY 11 2HA GLY 11 -9.906 5.303 -5.782 64 HA3 GLY 11 1HA GLY 11 -10.681 4.026 -6.704 65 H CYS 12 H CYS 12 -8.261 2.920 -4.470 66 HA CYS 12 HA CYS 12 -10.061 1.327 -3.115 67 HB2 CYS 12 2HB CYS 12 -8.112 1.814 -1.151 68 HB3 CYS 12 1HB CYS 12 -8.203 0.457 -2.248 69 H TYR 13 H TYR 13 -8.450 3.644 -1.012 70 HA TYR 13 HA TYR 13 -11.044 4.806 -0.306 71 HB2 TYR 13 2HB TYR 13 -10.242 2.779 1.150 72 HB3 TYR 13 1HB TYR 13 -9.207 3.989 1.876 73 HD1 TYR 13 2HD TYR 13 -11.191 6.319 1.664 74 HD2 TYR 13 1HD TYR 13 -11.621 2.308 3.015 75 HE1 TYR 13 2HE TYR 13 -13.044 7.013 3.119 76 HE2 TYR 13 1HE TYR 13 -13.477 2.992 4.472 77 HH TYR 13 HH TYR 13 -14.138 5.363 5.618 78 H ASN 14 H ASN 14 -7.709 4.718 0.585 79 HA ASN 14 HA ASN 14 -7.565 7.633 0.697 80 HB2 ASN 14 2HB ASN 14 -5.582 6.442 2.306 81 HB3 ASN 14 1HB ASN 14 -6.906 7.443 2.804 82 HD21 ASN 14 1HD2 ASN 14 -9.033 6.314 2.968 83 HD22 ASN 14 2HD2 ASN 14 -9.036 4.733 3.664 84 H ASN 15 H ASN 15 -5.309 8.574 0.151 85 HA ASN 15 HA ASN 15 -3.993 6.726 -1.691 86 HB2 ASN 15 2HB ASN 15 -4.658 8.575 -2.965 87 HB3 ASN 15 1HB ASN 15 -4.331 9.711 -1.665 88 HD21 ASN 15 1HD2 ASN 15 -3.026 7.976 -4.344 89 HD22 ASN 15 2HD2 ASN 15 -1.491 8.763 -4.380 90 H SER 16 H SER 16 -1.414 6.746 -1.620 91 HA SER 16 HA SER 16 -0.529 6.948 1.048 92 HB2 SER 16 2HB SER 16 0.287 5.062 -0.284 93 HB3 SER 16 1HB SER 16 0.863 6.130 -1.517 94 HG SER 16 HG SER 16 2.423 5.276 0.096 95 H HIS 17 H HIS 17 -0.396 9.176 -1.682 96 HA HIS 17 HA HIS 17 1.320 10.935 -0.079 97 HB2 HIS 17 2HB HIS 17 2.858 10.374 -1.679 98 HB3 HIS 17 1HB HIS 17 1.672 10.104 -2.931 99 HD1 HIS 17 1HD HIS 17 2.442 11.638 -4.736 100 HD2 HIS 17 2HD HIS 17 2.361 13.505 -1.025 101 HE1 HIS 17 1HE HIS 17 2.970 14.055 -5.187 102 HE2 HIS 17 2HE HIS 17 3.018 15.143 -2.916 103 H ARG 18 H ARG 18 -1.131 11.709 0.450 104 HA ARG 18 HA ARG 18 -1.511 14.008 -1.225 105 HB2 ARG 18 2HB ARG 18 -2.893 12.891 -2.622 106 HB3 ARG 18 1HB ARG 18 -3.324 11.676 -1.424 107 HG2 ARG 18 2HG ARG 18 -4.433 14.259 -0.720 108 HG3 ARG 18 1HG ARG 18 -4.881 13.793 -2.357 109 HD2 ARG 18 2HD ARG 18 -5.157 11.910 -0.033 110 HD3 ARG 18 1HD ARG 18 -6.429 13.047 -0.477 111 HE ARG 18 HE ARG 18 -5.545 11.460 -2.686 112 HH11 ARG 18 1HH1 ARG 18 -7.634 11.494 0.112 113 HH12 ARG 18 2HH1 ARG 18 -8.719 10.309 -0.530 114 HH21 ARG 18 1HH2 ARG 18 -6.974 9.898 -3.530 115 HH22 ARG 18 2HH2 ARG 18 -8.345 9.400 -2.596 116 H ASP 19 H ASP 19 -3.797 12.415 1.106 117 HA ASP 19 HA ASP 19 -4.009 14.959 2.452 118 HB2 ASP 19 2HB ASP 19 -5.587 12.534 2.296 119 HB3 ASP 19 1HB ASP 19 -5.613 13.305 3.874 120 H LYS 20 H LYS 20 -2.586 11.854 3.290 121 HA LYS 20 HA LYS 20 -1.451 11.152 5.098 122 HB2 LYS 20 2HB LYS 20 0.209 12.534 5.797 123 HB3 LYS 20 1HB LYS 20 -0.344 13.511 4.448 124 HG2 LYS 20 2HG LYS 20 -0.419 15.165 5.945 125 HG3 LYS 20 1HG LYS 20 -1.929 14.427 6.472 126 HD2 LYS 20 2HD LYS 20 -1.050 13.762 8.424 127 HD3 LYS 20 1HD LYS 20 0.437 13.196 7.659 128 HE2 LYS 20 2HE LYS 20 1.431 15.311 7.768 129 HE3 LYS 20 1HE LYS 20 -0.112 16.123 8.027 130 HZ1 LYS 20 3HZ LYS 20 0.726 14.184 10.040 131 HZ2 LYS 20 1HZ LYS 20 -0.094 15.651 10.226 132 HZ3 LYS 20 2HZ LYS 20 1.580 15.643 9.984 133 H ALA 21 H ALA 21 -4.378 12.336 5.240 134 HA ALA 21 HA ALA 21 -4.537 12.246 8.191 135 HB1 ALA 21 1HB ALA 21 -6.473 13.650 8.100 136 HB2 ALA 21 2HB ALA 21 -6.509 13.572 6.338 137 HB3 ALA 21 3HB ALA 21 -5.193 14.415 7.156 138 H LEU 22 H LEU 22 -4.631 10.000 6.173 139 HA LEU 22 HA LEU 22 -7.320 8.956 6.760 140 HB2 LEU 22 2HB LEU 22 -5.663 7.713 4.623 141 HB3 LEU 22 1HB LEU 22 -7.392 8.033 4.655 142 HG LEU 22 HG LEU 22 -5.696 10.428 4.464 143 HD11 LEU 22 1HD1 LEU 22 -5.979 9.311 1.832 144 HD12 LEU 22 2HD1 LEU 22 -5.013 8.247 2.856 145 HD13 LEU 22 3HD1 LEU 22 -4.536 9.925 2.640 146 HD21 LEU 22 3HD2 LEU 22 -8.368 9.579 3.899 147 HD22 LEU 22 1HD2 LEU 22 -7.639 10.219 2.424 148 HD23 LEU 22 2HD2 LEU 22 -7.697 11.204 3.888 149 H HIS 23 H HIS 23 -6.882 6.162 6.419 150 HA HIS 23 HA HIS 23 -5.149 5.639 8.694 151 HB2 HIS 23 2HB HIS 23 -7.649 4.652 7.787 152 HB3 HIS 23 1HB HIS 23 -6.519 3.306 7.696 153 HD1 HIS 23 1HD HIS 23 -8.310 5.490 10.117 154 HD2 HIS 23 2HD HIS 23 -5.500 2.430 10.187 155 HE1 HIS 23 1HE HIS 23 -8.187 4.746 12.517 156 HE2 HIS 23 2HE HIS 23 -6.420 2.949 12.548 157 H PHE 24 H PHE 24 -3.098 4.435 8.378 158 HA PHE 24 HA PHE 24 -2.834 3.235 5.738 159 HB2 PHE 24 2HB PHE 24 -0.700 4.775 7.190 160 HB3 PHE 24 1HB PHE 24 -0.509 3.978 5.634 161 HD1 PHE 24 2HD PHE 24 -2.722 6.488 7.287 162 HD2 PHE 24 1HD PHE 24 -0.731 5.261 3.733 163 HE1 PHE 24 2HE PHE 24 -3.473 8.538 6.154 164 HE2 PHE 24 1HE PHE 24 -1.469 7.305 2.603 165 HZ PHE 24 HZ PHE 24 -2.848 8.945 3.800 166 H TYR 25 H TYR 25 -1.691 1.178 5.601 167 HA TYR 25 HA TYR 25 -1.099 -0.098 8.143 168 HB2 TYR 25 2HB TYR 25 -1.343 -1.133 5.311 169 HB3 TYR 25 1HB TYR 25 -0.634 -2.112 6.584 170 HD1 TYR 25 1HD TYR 25 -3.692 0.018 6.181 171 HD2 TYR 25 2HD TYR 25 -2.037 -3.681 7.478 172 HE1 TYR 25 1HE TYR 25 -5.938 -0.751 6.823 173 HE2 TYR 25 2HE TYR 25 -4.271 -4.472 8.128 174 HH TYR 25 HH TYR 25 -6.459 -3.492 8.751 175 H THR 26 H THR 26 1.135 -1.202 8.406 176 HA THR 26 HA THR 26 3.136 0.385 6.943 177 HB THR 26 HB THR 26 4.336 0.570 8.857 178 HG1 THR 26 1HG THR 26 5.232 -1.313 9.192 179 HG21 THR 26 3HG2 THR 26 1.976 0.940 9.664 180 HG22 THR 26 1HG2 THR 26 3.178 0.554 10.895 181 HG23 THR 26 2HG2 THR 26 2.054 -0.687 10.341 182 H PHE 27 H PHE 27 5.384 -0.855 6.829 183 HA PHE 27 HA PHE 27 4.799 -3.121 5.227 184 HB2 PHE 27 2HB PHE 27 6.644 -1.062 5.235 185 HB3 PHE 27 1HB PHE 27 7.549 -2.556 5.180 186 HD1 PHE 27 1HD PHE 27 4.209 -2.195 3.677 187 HD2 PHE 27 2HD PHE 27 8.406 -2.169 3.014 188 HE1 PHE 27 1HE PHE 27 3.835 -2.350 1.255 189 HE2 PHE 27 2HE PHE 27 8.038 -2.344 0.615 190 HZ PHE 27 HZ PHE 27 5.730 -2.432 -0.285 191 HA PRO 28 HA PRO 28 6.012 -6.527 8.005 192 HB2 PRO 28 2HB PRO 28 7.101 -7.415 5.316 193 HB3 PRO 28 1HB PRO 28 6.332 -8.420 6.535 194 HG2 PRO 28 2HG PRO 28 4.917 -7.590 4.513 195 HG3 PRO 28 1HG PRO 28 4.218 -7.470 6.132 196 HD2 PRO 28 2HD PRO 28 5.239 -5.351 4.341 197 HD3 PRO 28 1HD PRO 28 3.978 -5.294 5.562 198 H LYS 29 H LYS 29 8.186 -7.779 8.441 199 HA LYS 29 HA LYS 29 10.356 -5.837 8.341 200 HB2 LYS 29 2HB LYS 29 11.114 -8.273 9.663 201 HB3 LYS 29 1HB LYS 29 10.937 -6.658 10.331 202 HG2 LYS 29 2HG LYS 29 8.430 -7.186 10.434 203 HG3 LYS 29 1HG LYS 29 8.917 -8.865 10.193 204 HD2 LYS 29 2HD LYS 29 9.819 -7.043 12.425 205 HD3 LYS 29 1HD LYS 29 8.670 -8.373 12.566 206 HE2 LYS 29 2HE LYS 29 10.366 -9.743 12.989 207 HE3 LYS 29 1HE LYS 29 10.981 -9.439 11.365 208 HZ1 LYS 29 3HZ LYS 29 11.848 -7.273 12.660 209 HZ2 LYS 29 1HZ LYS 29 12.758 -8.691 12.486 210 HZ3 LYS 29 2HZ LYS 29 11.896 -8.407 13.913 211 H ASP 30 H ASP 30 9.367 -8.655 6.718 212 HA ASP 30 HA ASP 30 12.014 -9.474 5.867 213 HB2 ASP 30 2HB ASP 30 9.909 -10.548 4.229 214 HB3 ASP 30 1HB ASP 30 10.949 -11.415 5.351 215 H ALA 31 H ALA 31 13.108 -8.292 4.357 216 HA ALA 31 HA ALA 31 12.202 -6.196 2.949 217 HB1 ALA 31 1HB ALA 31 14.468 -8.065 2.536 218 HB2 ALA 31 2HB ALA 31 14.444 -6.341 2.882 219 HB3 ALA 31 3HB ALA 31 14.106 -6.905 1.253 220 H GLU 32 H GLU 32 12.515 -9.393 1.159 221 HA GLU 32 HA GLU 32 11.161 -8.488 -1.110 222 HB2 GLU 32 2HB GLU 32 12.272 -10.545 -1.270 223 HB3 GLU 32 1HB GLU 32 11.446 -11.283 0.044 224 HG2 GLU 32 2HG GLU 32 10.014 -10.455 -2.463 225 HG3 GLU 32 1HG GLU 32 10.848 -12.002 -2.334 226 H LEU 33 H LEU 33 9.404 -10.465 1.444 227 HA LEU 33 HA LEU 33 6.973 -10.222 0.348 228 HB2 LEU 33 2HB LEU 33 7.674 -10.978 2.754 229 HB3 LEU 33 1HB LEU 33 7.315 -9.336 3.201 230 HG LEU 33 HG LEU 33 5.186 -9.810 3.411 231 HD11 LEU 33 1HD1 LEU 33 5.293 -10.942 0.618 232 HD12 LEU 33 2HD1 LEU 33 4.824 -9.310 1.078 233 HD13 LEU 33 3HD1 LEU 33 3.816 -10.680 1.537 234 HD21 LEU 33 3HD2 LEU 33 5.593 -11.886 4.270 235 HD22 LEU 33 1HD2 LEU 33 6.228 -12.504 2.746 236 HD23 LEU 33 2HD2 LEU 33 4.494 -12.266 2.947 237 H ARG 34 H ARG 34 8.826 -7.717 1.808 238 HA ARG 34 HA ARG 34 6.931 -5.644 1.816 239 HB2 ARG 34 2HB ARG 34 8.573 -4.276 2.597 240 HB3 ARG 34 1HB ARG 34 9.377 -5.801 2.878 241 HG2 ARG 34 2HG ARG 34 11.102 -4.989 1.752 242 HG3 ARG 34 1HG ARG 34 10.127 -5.041 0.298 243 HD2 ARG 34 2HD ARG 34 9.796 -2.822 0.271 244 HD3 ARG 34 1HD ARG 34 9.709 -2.711 2.026 245 HE ARG 34 HE ARG 34 11.950 -2.260 2.079 246 HH11 ARG 34 1HH1 ARG 34 11.120 -3.526 -1.065 247 HH12 ARG 34 2HH1 ARG 34 12.675 -3.192 -1.748 248 HH21 ARG 34 1HH2 ARG 34 13.998 -1.819 1.181 249 HH22 ARG 34 2HH2 ARG 34 14.309 -2.223 -0.473 250 H ARG 35 H ARG 35 9.509 -6.248 -0.521 251 HA ARG 35 HA ARG 35 8.658 -4.267 -2.265 252 HB2 ARG 35 2HB ARG 35 10.019 -5.212 -3.947 253 HB3 ARG 35 1HB ARG 35 10.852 -5.475 -2.430 254 HG2 ARG 35 2HG ARG 35 11.132 -7.416 -3.723 255 HG3 ARG 35 1HG ARG 35 9.976 -7.831 -2.474 256 HD2 ARG 35 2HD ARG 35 8.467 -8.406 -4.016 257 HD3 ARG 35 1HD ARG 35 8.597 -6.821 -4.780 258 HE ARG 35 HE ARG 35 10.770 -8.551 -5.456 259 HH11 ARG 35 1HH1 ARG 35 7.464 -7.744 -6.225 260 HH12 ARG 35 2HH1 ARG 35 7.573 -8.315 -7.855 261 HH21 ARG 35 1HH2 ARG 35 10.917 -9.299 -7.602 262 HH22 ARG 35 2HH2 ARG 35 9.533 -9.197 -8.638 263 H LEU 36 H LEU 36 7.483 -7.541 -1.670 264 HA LEU 36 HA LEU 36 5.879 -7.626 -4.057 265 HB2 LEU 36 2HB LEU 36 6.368 -9.394 -2.089 266 HB3 LEU 36 1HB LEU 36 4.764 -8.889 -1.640 267 HG LEU 36 HG LEU 36 3.950 -9.507 -3.886 268 HD11 LEU 36 1HD1 LEU 36 6.822 -10.316 -4.246 269 HD12 LEU 36 2HD1 LEU 36 5.844 -9.255 -5.261 270 HD13 LEU 36 3HD1 LEU 36 5.517 -10.988 -5.225 271 HD21 LEU 36 3HD2 LEU 36 4.007 -11.890 -3.548 272 HD22 LEU 36 1HD2 LEU 36 3.873 -11.088 -1.983 273 HD23 LEU 36 2HD2 LEU 36 5.424 -11.746 -2.506 274 H TRP 37 H TRP 37 5.115 -6.346 -0.820 275 HA TRP 37 HA TRP 37 2.503 -5.547 -1.582 276 HB2 TRP 37 2HB TRP 37 4.428 -4.580 0.519 277 HB3 TRP 37 1HB TRP 37 2.903 -3.747 0.230 278 HD1 TRP 37 HD TRP 37 3.125 -7.505 -0.092 279 HE1 TRP 37 1HE TRP 37 1.815 -8.618 1.865 280 HE3 TRP 37 3HE TRP 37 1.931 -3.331 2.560 281 HZ2 TRP 37 2HZ TRP 37 0.427 -7.765 4.203 282 HZ3 TRP 37 3HZ TRP 37 0.669 -3.558 4.622 283 HH2 TRP 37 HH TRP 37 -0.090 -5.684 5.400 284 H LEU 38 H LEU 38 5.757 -4.001 -1.929 285 HA LEU 38 HA LEU 38 5.206 -1.430 -2.599 286 HB2 LEU 38 2HB LEU 38 6.995 -3.379 -4.080 287 HB3 LEU 38 1HB LEU 38 6.893 -1.697 -4.477 288 HG LEU 38 HG LEU 38 7.889 -2.905 -1.933 289 HD11 LEU 38 1HD1 LEU 38 9.171 -1.164 -4.025 290 HD12 LEU 38 2HD1 LEU 38 9.494 -2.873 -3.733 291 HD13 LEU 38 3HD1 LEU 38 9.935 -1.672 -2.518 292 HD21 LEU 38 3HD2 LEU 38 8.262 -0.602 -1.150 293 HD22 LEU 38 1HD2 LEU 38 6.552 -0.988 -1.320 294 HD23 LEU 38 2HD2 LEU 38 7.358 -0.003 -2.541 295 H LYS 39 H LYS 39 4.817 -4.348 -4.755 296 HA LYS 39 HA LYS 39 3.769 -3.196 -6.963 297 HB2 LYS 39 2HB LYS 39 3.688 -5.804 -5.611 298 HB3 LYS 39 1HB LYS 39 2.412 -5.563 -6.777 299 HG2 LYS 39 2HG LYS 39 4.571 -6.690 -7.507 300 HG3 LYS 39 1HG LYS 39 3.923 -5.414 -8.547 301 HD2 LYS 39 2HD LYS 39 5.541 -3.947 -6.975 302 HD3 LYS 39 1HD LYS 39 6.388 -5.490 -6.903 303 HE2 LYS 39 2HE LYS 39 6.238 -5.521 -9.437 304 HE3 LYS 39 1HE LYS 39 5.736 -3.833 -9.327 305 HZ1 LYS 39 3HZ LYS 39 7.866 -3.578 -7.930 306 HZ2 LYS 39 1HZ LYS 39 8.007 -3.689 -9.613 307 HZ3 LYS 39 2HZ LYS 39 8.338 -5.035 -8.646 308 H ASN 40 H ASN 40 1.695 -4.553 -4.400 309 HA ASN 40 HA ASN 40 -0.698 -3.627 -5.461 310 HB2 ASN 40 2HB ASN 40 -0.894 -3.720 -2.587 311 HB3 ASN 40 1HB ASN 40 -1.604 -4.785 -3.786 312 HD21 ASN 40 1HD2 ASN 40 -1.153 -6.123 -1.717 313 HD22 ASN 40 2HD2 ASN 40 0.325 -7.010 -1.731 314 H VAL 41 H VAL 41 1.498 -2.081 -3.252 315 HA VAL 41 HA VAL 41 -0.334 0.048 -2.751 316 HB VAL 41 HB VAL 41 1.721 -0.862 -1.242 317 HG11 VAL 41 1HG1 VAL 41 3.251 0.511 -2.846 318 HG12 VAL 41 2HG1 VAL 41 3.472 0.671 -1.108 319 HG13 VAL 41 3HG1 VAL 41 2.587 1.903 -2.004 320 HG21 VAL 41 3HG2 VAL 41 0.801 0.527 0.273 321 HG22 VAL 41 1HG2 VAL 41 -0.412 0.755 -0.985 322 HG23 VAL 41 2HG2 VAL 41 0.890 1.929 -0.787 323 H SER 42 H SER 42 2.125 -0.376 -5.187 324 HA SER 42 HA SER 42 1.577 1.646 -6.779 325 HB2 SER 42 2HB SER 42 1.432 3.581 -5.503 326 HB3 SER 42 1HB SER 42 2.412 2.925 -4.178 327 HG SER 42 HG SER 42 3.572 4.550 -5.146 328 H ARG 43 H ARG 43 4.851 2.297 -5.284 329 HA ARG 43 HA ARG 43 6.897 1.595 -5.923 330 HB2 ARG 43 2HB ARG 43 6.918 -0.621 -6.051 331 HB3 ARG 43 1HB ARG 43 5.242 -0.660 -6.559 332 HG2 ARG 43 2HG ARG 43 7.438 -0.114 -8.525 333 HG3 ARG 43 1HG ARG 43 7.021 -1.753 -8.044 334 HD2 ARG 43 2HD ARG 43 4.731 -1.415 -8.784 335 HD3 ARG 43 1HD ARG 43 5.104 0.250 -9.223 336 HE ARG 43 HE ARG 43 6.757 -1.711 -10.530 337 HH11 ARG 43 1HH1 ARG 43 3.770 0.088 -10.678 338 HH12 ARG 43 2HH1 ARG 43 3.625 -0.054 -12.397 339 HH21 ARG 43 1HH2 ARG 43 6.566 -1.898 -12.793 340 HH22 ARG 43 2HH2 ARG 43 5.210 -1.183 -13.597 341 H ALA 44 H ALA 44 4.504 2.268 -8.325 342 HA ALA 44 HA ALA 44 5.634 2.304 -10.740 343 HB1 ALA 44 1HB ALA 44 3.608 3.268 -10.893 344 HB2 ALA 44 2HB ALA 44 4.518 4.777 -10.814 345 HB3 ALA 44 3HB ALA 44 3.775 4.118 -9.356 346 H GLY 45 H GLY 45 8.132 2.476 -9.932 347 HA2 GLY 45 2HA GLY 45 9.275 4.734 -11.065 348 HA3 GLY 45 1HA GLY 45 9.080 5.095 -9.370 349 H VAL 46 H VAL 46 10.331 2.420 -11.387 350 HA VAL 46 HA VAL 46 12.738 2.412 -9.737 351 HB VAL 46 HB VAL 46 11.262 0.758 -8.692 352 HG11 VAL 46 1HG1 VAL 46 10.422 -1.152 -9.799 353 HG12 VAL 46 2HG1 VAL 46 11.361 -0.820 -11.252 354 HG13 VAL 46 3HG1 VAL 46 10.008 0.225 -10.817 355 HG21 VAL 46 3HG2 VAL 46 12.904 -1.299 -9.472 356 HG22 VAL 46 1HG2 VAL 46 13.266 -0.110 -8.223 357 HG23 VAL 46 2HG2 VAL 46 13.858 0.131 -9.866 358 H SER 47 H SER 47 12.792 3.450 -12.216 359 HA SER 47 HA SER 47 14.656 1.745 -13.570 360 HB2 SER 47 2HB SER 47 13.448 1.112 -15.485 361 HB3 SER 47 1HB SER 47 12.285 0.840 -14.189 362 HG SER 47 HG SER 47 11.051 2.353 -14.982 363 H GLY 48 H GLY 48 12.206 4.473 -14.389 364 HA2 GLY 48 2HA GLY 48 14.134 5.765 -16.052 365 HA3 GLY 48 1HA GLY 48 12.621 6.444 -15.475 366 H CYS 49 H CYS 49 14.022 5.506 -12.717 367 HA CYS 49 HA CYS 49 15.263 6.483 -11.079 368 HB2 CYS 49 2HB CYS 49 16.387 8.382 -13.137 369 HB3 CYS 49 1HB CYS 49 17.107 7.889 -11.607 370 HG CYS 49 HG CYS 49 17.718 5.622 -12.641 371 H PHE 50 H PHE 50 12.615 7.398 -11.905 372 HA PHE 50 HA PHE 50 12.407 10.221 -11.781 373 HB2 PHE 50 2HB PHE 50 10.640 7.991 -11.976 374 HB3 PHE 50 1HB PHE 50 10.091 8.961 -10.614 375 HD1 PHE 50 2HD PHE 50 9.854 11.505 -11.042 376 HD2 PHE 50 1HD PHE 50 10.028 8.573 -14.122 377 HE1 PHE 50 2HE PHE 50 8.779 13.081 -12.597 378 HE2 PHE 50 1HE PHE 50 8.954 10.143 -15.684 379 HZ PHE 50 HZ PHE 50 8.328 12.400 -14.923 380 H SER 51 H SER 51 11.897 7.695 -9.149 381 HA SER 51 HA SER 51 12.217 7.851 -6.909 382 HB2 SER 51 2HB SER 51 14.320 9.127 -7.626 383 HB3 SER 51 1HB SER 51 13.409 10.598 -7.284 384 HG SER 51 HG SER 51 13.498 10.190 -5.197 385 H THR 52 H THR 52 9.843 8.845 -8.283 386 HA THR 52 HA THR 52 8.853 11.208 -7.178 387 HB THR 52 HB THR 52 6.590 10.204 -7.654 388 HG1 THR 52 1HG THR 52 6.448 8.178 -8.375 389 HG21 THR 52 3HG2 THR 52 6.990 11.148 -9.618 390 HG22 THR 52 1HG2 THR 52 7.502 9.554 -10.173 391 HG23 THR 52 2HG2 THR 52 8.696 10.704 -9.572 392 H PHE 53 H PHE 53 8.869 7.919 -5.944 393 HA PHE 53 HA PHE 53 8.382 8.909 -3.269 394 HB2 PHE 53 2HB PHE 53 6.474 7.287 -2.923 395 HB3 PHE 53 1HB PHE 53 6.094 8.676 -3.932 396 HD1 PHE 53 2HD PHE 53 7.003 5.081 -4.051 397 HD2 PHE 53 1HD PHE 53 5.306 8.390 -6.115 398 HE1 PHE 53 2HE PHE 53 6.247 3.572 -5.819 399 HE2 PHE 53 1HE PHE 53 4.534 6.876 -7.898 400 HZ PHE 53 HZ PHE 53 5.001 4.461 -7.744 401 H GLN 54 H GLN 54 10.714 7.839 -4.016 402 HA GLN 54 HA GLN 54 11.367 5.269 -4.193 403 HB2 GLN 54 2HB GLN 54 12.806 7.362 -3.654 404 HB3 GLN 54 1HB GLN 54 12.644 6.851 -1.984 405 HG2 GLN 54 2HG GLN 54 13.585 4.622 -2.720 406 HG3 GLN 54 1HG GLN 54 13.981 5.406 -4.250 407 HE21 GLN 54 1HE2 GLN 54 14.862 7.821 -3.559 408 HE22 GLN 54 2HE2 GLN 54 16.268 7.710 -2.562 409 HA PRO 55 HA PRO 55 9.213 3.238 -0.785 410 HB2 PRO 55 2HB PRO 55 10.671 0.815 -1.449 411 HB3 PRO 55 1HB PRO 55 8.947 1.155 -1.572 412 HG2 PRO 55 2HG PRO 55 10.582 0.872 -3.739 413 HG3 PRO 55 1HG PRO 55 9.089 1.825 -3.742 414 HD2 PRO 55 2HD PRO 55 11.923 2.729 -3.598 415 HD3 PRO 55 1HD PRO 55 10.522 3.498 -4.377 416 H THR 56 H THR 56 12.620 3.506 -1.210 417 HA THR 56 HA THR 56 13.655 2.118 0.965 418 HB THR 56 HB THR 56 14.473 4.854 -0.094 419 HG1 THR 56 1HG THR 56 15.915 3.665 -1.334 420 HG21 THR 56 3HG2 THR 56 16.244 4.888 1.239 421 HG22 THR 56 1HG2 THR 56 16.579 3.175 0.971 422 HG23 THR 56 2HG2 THR 56 15.413 3.665 2.202 423 H THR 57 H THR 57 12.130 5.444 0.882 424 HA THR 57 HA THR 57 12.592 6.105 3.550 425 HB THR 57 HB THR 57 11.807 7.801 2.088 426 HG1 THR 57 1HG THR 57 10.377 8.673 3.398 427 HG21 THR 57 3HG2 THR 57 10.456 7.316 0.405 428 HG22 THR 57 1HG2 THR 57 9.125 7.304 1.560 429 HG23 THR 57 2HG2 THR 57 9.956 5.803 1.159 430 H GLY 58 H GLY 58 10.308 3.879 2.140 431 HA2 GLY 58 2HA GLY 58 9.526 2.147 3.759 432 HA3 GLY 58 1HA GLY 58 9.186 3.477 4.837 433 H HIS 59 H HIS 59 7.911 1.852 1.839 434 HA HIS 59 HA HIS 59 5.733 3.724 1.734 435 HB2 HIS 59 2HB HIS 59 6.713 1.526 0.080 436 HB3 HIS 59 1HB HIS 59 4.961 1.524 0.222 437 HD1 HIS 59 1HD HIS 59 7.213 4.548 -0.020 438 HD2 HIS 59 2HD HIS 59 4.264 2.611 -2.234 439 HE1 HIS 59 1HE HIS 59 6.715 6.056 -1.963 440 HE2 HIS 59 2HE HIS 59 4.819 4.941 -3.177 441 H ARG 60 H ARG 60 3.675 3.414 2.311 442 HA ARG 60 HA ARG 60 3.103 1.216 4.203 443 HB2 ARG 60 2HB ARG 60 1.859 2.731 5.486 444 HB3 ARG 60 1HB ARG 60 3.215 3.696 4.942 445 HG2 ARG 60 2HG ARG 60 0.570 3.711 3.524 446 HG3 ARG 60 1HG ARG 60 0.956 4.797 4.858 447 HD2 ARG 60 2HD ARG 60 3.106 5.251 3.393 448 HD3 ARG 60 1HD ARG 60 2.036 4.725 2.093 449 HE ARG 60 HE ARG 60 1.055 6.769 2.218 450 HH11 ARG 60 1HH1 ARG 60 2.411 6.046 5.355 451 HH12 ARG 60 2HH1 ARG 60 1.896 7.543 6.058 452 HH21 ARG 60 1HH2 ARG 60 0.380 8.734 3.144 453 HH22 ARG 60 2HH2 ARG 60 0.743 9.067 4.803 454 H LEU 61 H LEU 61 0.563 0.797 4.239 455 HA LEU 61 HA LEU 61 -0.395 0.639 1.450 456 HB2 LEU 61 2HB LEU 61 -0.001 -1.267 3.489 457 HB3 LEU 61 1HB LEU 61 -1.727 -1.083 3.401 458 HG LEU 61 HG LEU 61 -0.078 -2.757 1.870 459 HD11 LEU 61 1HD1 LEU 61 -2.122 -3.503 2.584 460 HD12 LEU 61 2HD1 LEU 61 -2.284 -3.359 0.843 461 HD13 LEU 61 3HD1 LEU 61 -2.975 -2.126 1.907 462 HD21 LEU 61 3HD2 LEU 61 0.406 -1.312 0.183 463 HD22 LEU 61 1HD2 LEU 61 -1.160 -0.510 0.273 464 HD23 LEU 61 2HD2 LEU 61 -1.034 -2.137 -0.397 465 H CYS 62 H CYS 62 -2.957 0.887 1.230 466 HA CYS 62 HA CYS 62 -3.925 2.353 3.530 467 HB2 CYS 62 2HB CYS 62 -4.414 4.187 2.378 468 HB3 CYS 62 1HB CYS 62 -3.256 3.518 1.264 469 H SER 63 H SER 63 -6.462 2.698 3.305 470 HA SER 63 HA SER 63 -7.537 0.738 4.572 471 HB2 SER 63 2HB SER 63 -8.450 3.126 3.381 472 HB3 SER 63 1HB SER 63 -9.714 1.919 3.206 473 HG SER 63 HG SER 63 -9.265 1.485 5.532 474 H VAL 64 H VAL 64 -9.333 1.149 1.720 475 HA VAL 64 HA VAL 64 -10.514 -1.381 2.031 476 HB VAL 64 HB VAL 64 -11.721 -0.848 -0.111 477 HG11 VAL 64 1HG1 VAL 64 -13.122 -0.185 1.495 478 HG12 VAL 64 2HG1 VAL 64 -12.482 1.440 1.251 479 HG13 VAL 64 3HG1 VAL 64 -11.802 0.404 2.505 480 HG21 VAL 64 3HG2 VAL 64 -10.920 0.756 -1.397 481 HG22 VAL 64 1HG2 VAL 64 -9.596 1.017 -0.257 482 HG23 VAL 64 2HG2 VAL 64 -11.110 1.911 -0.076 483 H HIS 65 H HIS 65 -7.730 -1.949 1.237 484 HA HIS 65 HA HIS 65 -8.473 -3.608 -1.112 485 HB2 HIS 65 2HB HIS 65 -5.729 -3.407 -1.270 486 HB3 HIS 65 1HB HIS 65 -6.914 -2.615 -2.278 487 HD1 HIS 65 1HD HIS 65 -7.900 -0.412 -0.575 488 HD2 HIS 65 2HD HIS 65 -3.914 -1.506 -0.765 489 HE1 HIS 65 1HE HIS 65 -6.634 1.542 0.286 490 H PHE 66 H PHE 66 -8.858 -4.325 1.557 491 HA PHE 66 HA PHE 66 -6.895 -6.506 1.906 492 HB2 PHE 66 2HB PHE 66 -8.198 -4.649 3.803 493 HB3 PHE 66 1HB PHE 66 -8.057 -6.325 4.327 494 HD1 PHE 66 1HD PHE 66 -5.692 -7.396 3.984 495 HD2 PHE 66 2HD PHE 66 -6.457 -3.215 4.194 496 HE1 PHE 66 1HE PHE 66 -3.348 -7.000 4.606 497 HE2 PHE 66 2HE PHE 66 -4.112 -2.812 4.818 498 HZ PHE 66 HZ PHE 66 -2.558 -4.707 5.024 499 H GLN 67 H GLN 67 -8.397 -8.035 0.488 500 HA GLN 67 HA GLN 67 -11.125 -8.242 0.945 501 HB2 GLN 67 2HB GLN 67 -9.300 -9.382 -0.733 502 HB3 GLN 67 1HB GLN 67 -9.771 -10.752 0.258 503 HG2 GLN 67 2HG GLN 67 -11.204 -10.771 -1.597 504 HG3 GLN 67 1HG GLN 67 -12.162 -10.158 -0.251 505 HE21 GLN 67 1HE2 GLN 67 -11.754 -9.791 -3.391 506 HE22 GLN 67 2HE2 GLN 67 -12.078 -8.105 -3.577 507 H GLY 68 H GLY 68 -11.857 -8.726 3.339 508 HA2 GLY 68 2HA GLY 68 -11.815 -9.797 5.353 509 HA3 GLY 68 1HA GLY 68 -11.939 -11.196 4.299 510 H GLY 69 H GLY 69 -10.865 -12.026 6.463 511 HA2 GLY 69 2HA GLY 69 -9.031 -13.186 7.172 512 HA3 GLY 69 1HA GLY 69 -8.124 -12.564 5.814 513 H ARG 70 H ARG 70 -7.423 -10.068 6.144 514 HA ARG 70 HA ARG 70 -6.401 -8.499 7.404 515 HB2 ARG 70 2HB ARG 70 -7.280 -7.924 9.417 516 HB3 ARG 70 1HB ARG 70 -8.526 -9.067 8.957 517 HG2 ARG 70 2HG ARG 70 -8.175 -9.996 10.946 518 HG3 ARG 70 1HG ARG 70 -6.698 -10.663 10.257 519 HD2 ARG 70 2HD ARG 70 -6.034 -9.611 12.254 520 HD3 ARG 70 1HD ARG 70 -5.569 -8.500 10.968 521 HE ARG 70 HE ARG 70 -7.102 -6.982 11.753 522 HH11 ARG 70 1HH1 ARG 70 -7.650 -10.068 13.286 523 HH12 ARG 70 2HH1 ARG 70 -8.773 -9.436 14.441 524 HH21 ARG 70 1HH2 ARG 70 -8.578 -6.148 13.272 525 HH22 ARG 70 2HH2 ARG 70 -9.301 -7.210 14.433 526 H LYS 71 H LYS 71 -5.293 -10.927 6.556 527 HA LYS 71 HA LYS 71 -3.253 -11.899 6.595 528 HB2 LYS 71 2HB LYS 71 -2.928 -9.787 8.510 529 HB3 LYS 71 1HB LYS 71 -2.083 -11.220 9.065 530 HG2 LYS 71 2HG LYS 71 -0.511 -11.049 7.475 531 HG3 LYS 71 1HG LYS 71 -1.694 -10.649 6.231 532 HD2 LYS 71 2HD LYS 71 -0.588 -8.761 8.302 533 HD3 LYS 71 1HD LYS 71 -0.175 -8.790 6.590 534 HE2 LYS 71 2HE LYS 71 -2.846 -8.585 6.383 535 HE3 LYS 71 1HE LYS 71 -2.604 -7.803 7.942 536 HZ1 LYS 71 3HZ LYS 71 -0.826 -6.464 6.765 537 HZ2 LYS 71 1HZ LYS 71 -2.440 -6.084 6.443 538 HZ3 LYS 71 2HZ LYS 71 -1.546 -6.987 5.326 539 H THR 72 H THR 72 -3.977 -13.908 6.729 540 HA THR 72 HA THR 72 -3.778 -15.226 9.323 541 HB THR 72 HB THR 72 -5.844 -16.477 8.988 542 HG1 THR 72 1HG THR 72 -6.275 -14.832 6.721 543 HG21 THR 72 3HG2 THR 72 -7.180 -14.929 9.865 544 HG22 THR 72 1HG2 THR 72 -6.986 -13.841 8.491 545 HG23 THR 72 2HG2 THR 72 -5.771 -13.871 9.771 546 H TYR 73 H TYR 73 -4.738 -16.071 5.973 547 HA TYR 73 HA TYR 73 -2.356 -17.675 5.662 548 HB2 TYR 73 2HB TYR 73 -4.024 -19.630 4.909 549 HB3 TYR 73 1HB TYR 73 -3.381 -19.504 6.541 550 HD1 TYR 73 1HD TYR 73 -4.831 -18.316 8.295 551 HD2 TYR 73 2HD TYR 73 -6.333 -19.633 4.539 552 HE1 TYR 73 1HE TYR 73 -7.118 -18.245 9.191 553 HE2 TYR 73 2HE TYR 73 -8.625 -19.564 5.427 554 HH TYR 73 HH TYR 73 -9.624 -19.758 7.962 555 H THR 74 H THR 74 -5.584 -17.564 4.179 556 HA THR 74 HA THR 74 -4.659 -17.808 1.537 557 HB THR 74 HB THR 74 -7.140 -16.381 1.578 558 HG1 THR 74 1HG THR 74 -8.113 -17.114 3.272 559 HG21 THR 74 3HG2 THR 74 -6.718 -19.343 1.285 560 HG22 THR 74 1HG2 THR 74 -6.472 -18.172 -0.011 561 HG23 THR 74 2HG2 THR 74 -8.075 -18.382 0.692 562 H VAL 75 H VAL 75 -5.703 -14.972 3.363 563 HA VAL 75 HA VAL 75 -5.055 -13.120 1.262 564 HB VAL 75 HB VAL 75 -6.865 -12.970 3.113 565 HG11 VAL 75 1HG1 VAL 75 -5.046 -13.319 4.890 566 HG12 VAL 75 2HG1 VAL 75 -6.384 -12.217 5.209 567 HG13 VAL 75 3HG1 VAL 75 -4.809 -11.577 4.742 568 HG21 VAL 75 3HG2 VAL 75 -5.257 -10.445 2.745 569 HG22 VAL 75 1HG2 VAL 75 -6.980 -10.600 3.070 570 HG23 VAL 75 2HG2 VAL 75 -6.337 -11.109 1.514 571 H ARG 76 H ARG 76 -2.777 -13.292 0.824 572 HA ARG 76 HA ARG 76 -0.992 -12.777 3.099 573 HB2 ARG 76 2HB ARG 76 -0.803 -14.391 0.717 574 HB3 ARG 76 1HB ARG 76 0.521 -13.237 0.758 575 HG2 ARG 76 2HG ARG 76 1.206 -14.032 2.927 576 HG3 ARG 76 1HG ARG 76 -0.186 -15.113 3.003 577 HD2 ARG 76 2HD ARG 76 2.011 -15.250 0.940 578 HD3 ARG 76 1HD ARG 76 1.900 -16.275 2.370 579 HE ARG 76 HE ARG 76 -0.441 -16.355 0.702 580 HH11 ARG 76 1HH1 ARG 76 2.730 -17.707 1.252 581 HH12 ARG 76 2HH1 ARG 76 2.370 -19.198 0.449 582 HH21 ARG 76 1HH2 ARG 76 -0.914 -18.318 -0.354 583 HH22 ARG 76 2HH2 ARG 76 0.302 -19.546 -0.462 584 H VAL 77 H VAL 77 -1.651 -11.641 -0.226 585 HA VAL 77 HA VAL 77 -0.490 -9.061 0.575 586 HB VAL 77 HB VAL 77 0.642 -8.792 -1.511 587 HG11 VAL 77 1HG1 VAL 77 2.300 -10.192 -1.052 588 HG12 VAL 77 2HG1 VAL 77 1.316 -11.608 -1.420 589 HG13 VAL 77 3HG1 VAL 77 1.249 -10.881 0.184 590 HG21 VAL 77 3HG2 VAL 77 -1.259 -10.838 -2.444 591 HG22 VAL 77 1HG2 VAL 77 0.362 -10.907 -3.132 592 HG23 VAL 77 2HG2 VAL 77 -0.589 -9.432 -3.271 593 HA PRO 78 HA PRO 78 -4.606 -7.427 -0.425 594 HB2 PRO 78 2HB PRO 78 -2.843 -5.029 -0.693 595 HB3 PRO 78 1HB PRO 78 -4.396 -5.169 0.120 596 HG2 PRO 78 2HG PRO 78 -2.306 -5.168 1.624 597 HG3 PRO 78 1HG PRO 78 -3.439 -6.519 1.856 598 HD2 PRO 78 2HD PRO 78 -0.918 -6.441 0.235 599 HD3 PRO 78 1HD PRO 78 -1.383 -7.612 1.505 600 H THR 79 H THR 79 -4.352 -8.654 -2.776 601 HA THR 79 HA THR 79 -3.960 -6.317 -4.537 602 HB THR 79 HB THR 79 -2.909 -7.660 -6.023 603 HG1 THR 79 1HG THR 79 -4.871 -8.414 -6.825 604 HG21 THR 79 3HG2 THR 79 -2.206 -9.909 -5.375 605 HG22 THR 79 1HG2 THR 79 -3.260 -9.819 -3.963 606 HG23 THR 79 2HG2 THR 79 -1.901 -8.707 -4.121 607 H ILE 80 H ILE 80 -5.682 -5.379 -4.640 608 HA ILE 80 HA ILE 80 -8.095 -6.552 -5.796 609 HB ILE 80 HB ILE 80 -7.894 -4.953 -3.348 610 HG12 ILE 80 2HG1 ILE 80 -9.954 -6.626 -4.745 611 HG13 ILE 80 1HG1 ILE 80 -9.168 -6.900 -3.198 612 HG21 ILE 80 1HG2 ILE 80 -10.207 -3.936 -4.822 613 HG22 ILE 80 2HG2 ILE 80 -8.668 -3.356 -5.434 614 HG23 ILE 80 3HG2 ILE 80 -9.089 -3.101 -3.750 615 HD11 ILE 80 3HD1 ILE 80 -11.548 -6.330 -2.981 616 HD12 ILE 80 1HD1 ILE 80 -11.230 -4.771 -3.737 617 HD13 ILE 80 2HD1 ILE 80 -10.504 -5.157 -2.179 618 H PHE 81 H PHE 81 -8.830 -5.130 -7.647 619 HA PHE 81 HA PHE 81 -8.478 -3.573 -9.301 620 HB2 PHE 81 2HB PHE 81 -7.085 -1.482 -8.748 621 HB3 PHE 81 1HB PHE 81 -8.553 -1.708 -7.816 622 HD1 PHE 81 1HD PHE 81 -4.878 -2.479 -7.588 623 HD2 PHE 81 2HD PHE 81 -8.449 -1.373 -5.549 624 HE1 PHE 81 1HE PHE 81 -3.631 -2.372 -5.461 625 HE2 PHE 81 2HE PHE 81 -7.220 -1.263 -3.435 626 HZ PHE 81 HZ PHE 81 -4.807 -1.807 -3.350 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 5.639 15.648 8.316 2 H2 GLY 1 2HT GLY 1 6.434 14.437 9.189 3 H3 GLY 1 3HT GLY 1 4.785 14.717 9.442 4 HA2 GLY 1 1HA GLY 1 5.419 12.717 8.029 5 HA3 GLY 1 2HA GLY 1 4.155 13.782 7.436 6 H SER 2 H SER 2 4.857 12.630 5.403 7 HA SER 2 HA SER 2 7.048 14.143 4.138 8 HB2 SER 2 2HB SER 2 6.682 11.294 4.371 9 HB3 SER 2 1HB SER 2 6.662 11.763 2.671 10 HG SER 2 HG SER 2 8.736 11.949 2.822 11 HA PRO 3 HA PRO 3 4.283 15.293 0.902 12 HB2 PRO 3 2HB PRO 3 5.614 14.862 -1.403 13 HB3 PRO 3 1HB PRO 3 6.096 16.115 -0.252 14 HG2 PRO 3 2HG PRO 3 7.236 13.378 -0.662 15 HG3 PRO 3 1HG PRO 3 8.081 14.914 -0.400 16 HD2 PRO 3 2HD PRO 3 7.668 13.084 1.571 17 HD3 PRO 3 1HD PRO 3 7.792 14.827 1.877 18 H GLY 4 H GLY 4 3.361 12.924 1.790 19 HA2 GLY 4 2HA GLY 4 2.105 11.102 1.236 20 HA3 GLY 4 1HA GLY 4 1.846 11.930 -0.296 21 H PHE 5 H PHE 5 1.833 9.308 -0.706 22 HA PHE 5 HA PHE 5 4.354 8.821 -2.037 23 HB2 PHE 5 2HB PHE 5 3.646 6.449 -0.480 24 HB3 PHE 5 1HB PHE 5 5.207 7.207 -0.748 25 HD1 PHE 5 2HD PHE 5 5.950 9.063 0.693 26 HD2 PHE 5 1HD PHE 5 2.408 6.854 1.516 27 HE1 PHE 5 2HE PHE 5 5.963 9.905 3.004 28 HE2 PHE 5 1HE PHE 5 2.414 7.694 3.825 29 HZ PHE 5 HZ PHE 5 4.194 9.221 4.573 30 H THR 6 H THR 6 1.088 8.589 -2.259 31 HA THR 6 HA THR 6 -0.401 7.599 -3.676 32 HB THR 6 HB THR 6 2.019 6.708 -5.246 33 HG1 THR 6 1HG THR 6 0.678 9.201 -5.381 34 HG21 THR 6 3HG2 THR 6 0.515 5.979 -6.694 35 HG22 THR 6 1HG2 THR 6 0.059 7.664 -6.955 36 HG23 THR 6 2HG2 THR 6 -0.812 6.686 -5.773 37 H CYS 7 H CYS 7 -1.545 5.860 -2.977 38 HA CYS 7 HA CYS 7 -0.191 3.372 -2.296 39 HB2 CYS 7 2HB CYS 7 -1.905 3.756 -0.701 40 HB3 CYS 7 1HB CYS 7 -3.063 4.316 -1.897 41 H CYS 8 H CYS 8 -0.913 4.654 -5.134 42 HA CYS 8 HA CYS 8 -1.492 3.804 -7.182 43 HB2 CYS 8 2HB CYS 8 0.217 2.162 -6.830 44 HB3 CYS 8 1HB CYS 8 -0.749 1.280 -5.669 45 HG CYS 8 HG CYS 8 -0.785 0.899 -8.676 46 H VAL 9 H VAL 9 -3.204 4.329 -4.946 47 HA VAL 9 HA VAL 9 -5.331 2.472 -4.736 48 HB VAL 9 HB VAL 9 -4.989 3.834 -2.852 49 HG11 VAL 9 1HG1 VAL 9 -5.236 6.485 -3.452 50 HG12 VAL 9 2HG1 VAL 9 -4.332 5.859 -4.829 51 HG13 VAL 9 3HG1 VAL 9 -3.724 5.617 -3.192 52 HG21 VAL 9 3HG2 VAL 9 -7.454 3.882 -3.848 53 HG22 VAL 9 1HG2 VAL 9 -7.112 5.608 -3.913 54 HG23 VAL 9 2HG2 VAL 9 -7.008 4.750 -2.370 55 HA PRO 10 HA PRO 10 -7.057 3.986 -8.664 56 HB2 PRO 10 2HB PRO 10 -8.600 1.814 -9.099 57 HB3 PRO 10 1HB PRO 10 -6.866 1.807 -9.440 58 HG2 PRO 10 2HG PRO 10 -8.325 0.744 -7.044 59 HG3 PRO 10 1HG PRO 10 -7.027 -0.007 -7.988 60 HD2 PRO 10 2HD PRO 10 -6.548 1.245 -5.634 61 HD3 PRO 10 1HD PRO 10 -5.386 1.232 -6.971 62 H GLY 11 H GLY 11 -8.600 2.577 -5.863 63 HA2 GLY 11 2HA GLY 11 -10.480 4.662 -5.622 64 HA3 GLY 11 1HA GLY 11 -11.246 3.257 -6.348 65 H CYS 12 H CYS 12 -8.655 2.722 -4.036 66 HA CYS 12 HA CYS 12 -10.442 1.253 -2.423 67 HB2 CYS 12 2HB CYS 12 -8.306 1.647 -0.713 68 HB3 CYS 12 1HB CYS 12 -8.531 0.299 -1.796 69 H TYR 13 H TYR 13 -8.937 2.765 0.075 70 HA TYR 13 HA TYR 13 -11.308 4.384 0.522 71 HB2 TYR 13 2HB TYR 13 -10.529 2.622 2.154 72 HB3 TYR 13 1HB TYR 13 -9.238 3.739 2.569 73 HD1 TYR 13 2HD TYR 13 -11.825 5.848 1.766 74 HD2 TYR 13 1HD TYR 13 -10.763 3.053 4.794 75 HE1 TYR 13 2HE TYR 13 -13.331 6.982 3.339 76 HE2 TYR 13 1HE TYR 13 -12.267 4.179 6.371 77 HH TYR 13 HH TYR 13 -13.282 6.416 6.667 78 H ASN 14 H ASN 14 -7.908 4.591 1.127 79 HA ASN 14 HA ASN 14 -7.970 7.501 0.864 80 HB2 ASN 14 2HB ASN 14 -5.779 6.659 2.405 81 HB3 ASN 14 1HB ASN 14 -7.126 7.646 2.907 82 HD21 ASN 14 1HD2 ASN 14 -9.192 6.214 3.194 83 HD22 ASN 14 2HD2 ASN 14 -8.966 4.802 4.163 84 H ASN 15 H ASN 15 -5.816 8.509 0.046 85 HA ASN 15 HA ASN 15 -4.537 6.522 -1.667 86 HB2 ASN 15 2HB ASN 15 -5.604 8.395 -2.856 87 HB3 ASN 15 1HB ASN 15 -4.612 9.538 -1.958 88 HD21 ASN 15 1HD2 ASN 15 -4.955 8.275 -4.866 89 HD22 ASN 15 2HD2 ASN 15 -3.316 8.253 -5.413 90 H SER 16 H SER 16 -1.980 6.658 -1.835 91 HA SER 16 HA SER 16 -0.875 7.144 0.700 92 HB2 SER 16 2HB SER 16 -0.007 5.259 -0.583 93 HB3 SER 16 1HB SER 16 0.281 6.264 -1.953 94 HG SER 16 HG SER 16 1.711 7.405 -0.185 95 H HIS 17 H HIS 17 -0.972 9.065 -2.319 96 HA HIS 17 HA HIS 17 0.372 11.214 -0.854 97 HB2 HIS 17 2HB HIS 17 2.070 10.195 -2.338 98 HB3 HIS 17 1HB HIS 17 1.037 10.471 -3.719 99 HD1 HIS 17 1HD HIS 17 3.283 11.809 -4.495 100 HD2 HIS 17 2HD HIS 17 0.998 13.532 -1.482 101 HE1 HIS 17 1HE HIS 17 3.988 14.221 -4.412 102 HE2 HIS 17 2HE HIS 17 2.528 15.264 -2.643 103 H ARG 18 H ARG 18 -2.388 11.051 -1.179 104 HA ARG 18 HA ARG 18 -2.817 13.472 -2.733 105 HB2 ARG 18 2HB ARG 18 -4.733 11.185 -3.173 106 HB3 ARG 18 1HB ARG 18 -4.555 12.661 -4.100 107 HG2 ARG 18 2HG ARG 18 -2.404 10.577 -3.993 108 HG3 ARG 18 1HG ARG 18 -3.712 10.547 -5.175 109 HD2 ARG 18 2HD ARG 18 -2.493 13.161 -5.038 110 HD3 ARG 18 1HD ARG 18 -1.291 11.918 -5.371 111 HE ARG 18 HE ARG 18 -2.328 11.468 -7.401 112 HH11 ARG 18 1HH1 ARG 18 -4.138 13.854 -5.598 113 HH12 ARG 18 2HH1 ARG 18 -5.094 14.334 -6.958 114 HH21 ARG 18 1HH2 ARG 18 -3.589 12.103 -9.185 115 HH22 ARG 18 2HH2 ARG 18 -4.783 13.341 -8.991 116 H ASP 19 H ASP 19 -2.982 12.265 0.148 117 HA ASP 19 HA ASP 19 -5.137 13.918 1.021 118 HB2 ASP 19 2HB ASP 19 -5.540 11.027 1.642 119 HB3 ASP 19 1HB ASP 19 -6.655 12.369 1.842 120 H LYS 20 H LYS 20 -3.787 10.934 2.318 121 HA LYS 20 HA LYS 20 -2.507 10.505 4.144 122 HB2 LYS 20 2HB LYS 20 -1.850 13.444 4.194 123 HB3 LYS 20 1HB LYS 20 -0.928 12.135 4.917 124 HG2 LYS 20 2HG LYS 20 0.185 11.764 3.033 125 HG3 LYS 20 1HG LYS 20 -1.302 11.717 2.083 126 HD2 LYS 20 2HD LYS 20 -0.703 14.416 2.907 127 HD3 LYS 20 1HD LYS 20 0.672 13.704 2.060 128 HE2 LYS 20 2HE LYS 20 -0.896 13.031 0.239 129 HE3 LYS 20 1HE LYS 20 -2.165 13.936 1.064 130 HZ1 LYS 20 3HZ LYS 20 -0.475 15.863 0.927 131 HZ2 LYS 20 1HZ LYS 20 -1.367 15.452 -0.452 132 HZ3 LYS 20 2HZ LYS 20 0.240 14.945 -0.300 133 H ALA 21 H ALA 21 -5.359 11.902 4.267 134 HA ALA 21 HA ALA 21 -5.219 12.593 7.127 135 HB1 ALA 21 1HB ALA 21 -7.224 13.280 5.002 136 HB2 ALA 21 2HB ALA 21 -6.161 14.363 5.901 137 HB3 ALA 21 3HB ALA 21 -7.509 13.571 6.718 138 H LEU 22 H LEU 22 -5.690 9.768 5.632 139 HA LEU 22 HA LEU 22 -7.930 9.021 7.387 140 HB2 LEU 22 2HB LEU 22 -7.275 7.618 4.773 141 HB3 LEU 22 1HB LEU 22 -8.741 7.459 5.738 142 HG LEU 22 HG LEU 22 -9.018 8.707 3.627 143 HD11 LEU 22 1HD1 LEU 22 -9.816 9.632 6.330 144 HD12 LEU 22 2HD1 LEU 22 -10.788 8.942 5.031 145 HD13 LEU 22 3HD1 LEU 22 -10.251 10.619 4.936 146 HD21 LEU 22 3HD2 LEU 22 -8.184 10.738 3.236 147 HD22 LEU 22 1HD2 LEU 22 -6.836 10.101 4.173 148 HD23 LEU 22 2HD2 LEU 22 -8.031 11.154 4.935 149 H HIS 23 H HIS 23 -7.150 5.919 6.849 150 HA HIS 23 HA HIS 23 -5.070 5.970 8.842 151 HB2 HIS 23 2HB HIS 23 -7.441 4.497 8.482 152 HB3 HIS 23 1HB HIS 23 -6.135 3.347 8.236 153 HD1 HIS 23 1HD HIS 23 -8.167 3.571 10.747 154 HD2 HIS 23 2HD HIS 23 -4.165 4.684 10.629 155 HE1 HIS 23 1HE HIS 23 -7.381 3.510 13.135 156 HE2 HIS 23 2HE HIS 23 -4.977 4.261 13.048 157 H PHE 24 H PHE 24 -3.113 4.537 8.605 158 HA PHE 24 HA PHE 24 -2.796 3.500 5.902 159 HB2 PHE 24 2HB PHE 24 -0.738 5.088 7.435 160 HB3 PHE 24 1HB PHE 24 -0.402 4.210 5.951 161 HD1 PHE 24 2HD PHE 24 -2.451 6.938 7.380 162 HD2 PHE 24 1HD PHE 24 -0.888 5.151 3.849 163 HE1 PHE 24 2HE PHE 24 -3.207 8.872 6.059 164 HE2 PHE 24 1HE PHE 24 -1.630 7.075 2.532 165 HZ PHE 24 HZ PHE 24 -2.803 8.931 3.631 166 H TYR 25 H TYR 25 -1.531 1.495 5.733 167 HA TYR 25 HA TYR 25 -1.046 0.163 8.284 168 HB2 TYR 25 2HB TYR 25 -1.650 -0.804 5.506 169 HB3 TYR 25 1HB TYR 25 -0.739 -1.852 6.588 170 HD1 TYR 25 1HD TYR 25 -3.758 0.346 6.877 171 HD2 TYR 25 2HD TYR 25 -2.014 -3.463 7.618 172 HE1 TYR 25 1HE TYR 25 -5.860 -0.411 7.906 173 HE2 TYR 25 2HE TYR 25 -4.110 -4.231 8.648 174 HH TYR 25 HH TYR 25 -6.098 -3.212 9.758 175 H THR 26 H THR 26 1.132 -1.074 8.465 176 HA THR 26 HA THR 26 3.131 0.428 6.926 177 HB THR 26 HB THR 26 4.405 0.545 8.788 178 HG1 THR 26 1HG THR 26 5.245 -1.206 9.559 179 HG21 THR 26 3HG2 THR 26 2.039 0.892 9.684 180 HG22 THR 26 1HG2 THR 26 3.332 0.582 10.843 181 HG23 THR 26 2HG2 THR 26 2.220 -0.711 10.395 182 H PHE 27 H PHE 27 5.306 -0.856 6.675 183 HA PHE 27 HA PHE 27 4.679 -3.030 4.994 184 HB2 PHE 27 2HB PHE 27 6.631 -1.101 5.222 185 HB3 PHE 27 1HB PHE 27 7.483 -2.620 5.272 186 HD1 PHE 27 1HD PHE 27 4.475 -2.777 3.343 187 HD2 PHE 27 2HD PHE 27 8.563 -1.588 3.198 188 HE1 PHE 27 1HE PHE 27 4.429 -2.864 0.904 189 HE2 PHE 27 2HE PHE 27 8.509 -1.696 0.757 190 HZ PHE 27 HZ PHE 27 6.431 -2.333 -0.404 191 HA PRO 28 HA PRO 28 5.379 -6.553 7.816 192 HB2 PRO 28 2HB PRO 28 6.624 -7.491 5.211 193 HB3 PRO 28 1HB PRO 28 5.712 -8.460 6.363 194 HG2 PRO 28 2HG PRO 28 4.490 -7.541 4.260 195 HG3 PRO 28 1HG PRO 28 3.691 -7.369 5.829 196 HD2 PRO 28 2HD PRO 28 4.969 -5.319 4.123 197 HD3 PRO 28 1HD PRO 28 3.642 -5.161 5.264 198 H LYS 29 H LYS 29 7.394 -7.933 8.487 199 HA LYS 29 HA LYS 29 9.683 -6.161 8.648 200 HB2 LYS 29 2HB LYS 29 10.369 -8.545 9.929 201 HB3 LYS 29 1HB LYS 29 9.803 -7.064 10.684 202 HG2 LYS 29 2HG LYS 29 7.522 -7.866 10.627 203 HG3 LYS 29 1HG LYS 29 8.031 -9.318 9.763 204 HD2 LYS 29 2HD LYS 29 8.979 -8.535 12.518 205 HD3 LYS 29 1HD LYS 29 7.684 -9.689 12.191 206 HE2 LYS 29 2HE LYS 29 9.339 -11.008 10.840 207 HE3 LYS 29 1HE LYS 29 10.593 -9.928 11.446 208 HZ1 LYS 29 3HZ LYS 29 10.162 -10.638 13.665 209 HZ2 LYS 29 1HZ LYS 29 10.353 -12.026 12.717 210 HZ3 LYS 29 2HZ LYS 29 8.807 -11.532 13.192 211 H ASP 30 H ASP 30 8.730 -8.890 6.835 212 HA ASP 30 HA ASP 30 11.414 -9.746 6.160 213 HB2 ASP 30 2HB ASP 30 9.398 -10.695 4.334 214 HB3 ASP 30 1HB ASP 30 10.351 -11.637 5.468 215 H ALA 31 H ALA 31 12.650 -8.538 4.774 216 HA ALA 31 HA ALA 31 11.882 -6.386 3.361 217 HB1 ALA 31 1HB ALA 31 13.910 -7.083 1.802 218 HB2 ALA 31 2HB ALA 31 14.154 -8.271 3.086 219 HB3 ALA 31 3HB ALA 31 14.121 -6.557 3.466 220 H GLU 32 H GLU 32 12.308 -9.542 1.529 221 HA GLU 32 HA GLU 32 11.162 -8.601 -0.831 222 HB2 GLU 32 2HB GLU 32 12.247 -10.679 -0.894 223 HB3 GLU 32 1HB GLU 32 11.293 -11.400 0.340 224 HG2 GLU 32 2HG GLU 32 10.114 -10.553 -2.287 225 HG3 GLU 32 1HG GLU 32 10.899 -12.116 -2.074 226 H LEU 33 H LEU 33 9.148 -10.544 1.555 227 HA LEU 33 HA LEU 33 6.831 -10.255 0.249 228 HB2 LEU 33 2HB LEU 33 7.277 -11.029 2.700 229 HB3 LEU 33 1HB LEU 33 6.939 -9.378 3.126 230 HG LEU 33 HG LEU 33 4.777 -9.773 3.138 231 HD11 LEU 33 1HD1 LEU 33 4.701 -9.294 0.755 232 HD12 LEU 33 2HD1 LEU 33 3.545 -10.556 1.165 233 HD13 LEU 33 3HD1 LEU 33 5.066 -10.975 0.387 234 HD21 LEU 33 3HD2 LEU 33 5.770 -12.510 2.564 235 HD22 LEU 33 1HD2 LEU 33 4.039 -12.199 2.637 236 HD23 LEU 33 2HD2 LEU 33 5.051 -11.859 4.037 237 H ARG 34 H ARG 34 8.590 -7.778 1.868 238 HA ARG 34 HA ARG 34 6.732 -5.672 1.701 239 HB2 ARG 34 2HB ARG 34 8.331 -4.259 2.542 240 HB3 ARG 34 1HB ARG 34 8.998 -5.797 3.044 241 HG2 ARG 34 2HG ARG 34 10.900 -5.236 2.066 242 HG3 ARG 34 1HG ARG 34 10.097 -5.192 0.506 243 HD2 ARG 34 2HD ARG 34 9.942 -2.942 0.495 244 HD3 ARG 34 1HD ARG 34 9.736 -2.843 2.243 245 HE ARG 34 HE ARG 34 12.326 -3.655 1.869 246 HH11 ARG 34 1HH1 ARG 34 10.407 -0.912 0.885 247 HH12 ARG 34 2HH1 ARG 34 11.752 0.176 0.852 248 HH21 ARG 34 1HH2 ARG 34 14.096 -2.227 1.828 249 HH22 ARG 34 2HH2 ARG 34 13.849 -0.571 1.385 250 H ARG 35 H ARG 35 9.507 -6.334 -0.370 251 HA ARG 35 HA ARG 35 8.882 -4.333 -2.177 252 HB2 ARG 35 2HB ARG 35 10.431 -5.249 -3.667 253 HB3 ARG 35 1HB ARG 35 11.044 -5.681 -2.085 254 HG2 ARG 35 2HG ARG 35 11.358 -7.527 -3.525 255 HG3 ARG 35 1HG ARG 35 10.068 -7.962 -2.419 256 HD2 ARG 35 2HD ARG 35 8.614 -8.227 -4.105 257 HD3 ARG 35 1HD ARG 35 9.061 -6.681 -4.821 258 HE ARG 35 HE ARG 35 10.595 -7.763 -6.181 259 HH11 ARG 35 1HH1 ARG 35 9.162 -10.017 -3.926 260 HH12 ARG 35 2HH1 ARG 35 9.742 -11.414 -4.766 261 HH21 ARG 35 1HH2 ARG 35 11.355 -9.602 -7.280 262 HH22 ARG 35 2HH2 ARG 35 10.986 -11.180 -6.669 263 H LEU 36 H LEU 36 7.555 -7.582 -1.723 264 HA LEU 36 HA LEU 36 6.202 -7.626 -4.272 265 HB2 LEU 36 2HB LEU 36 5.603 -8.933 -1.642 266 HB3 LEU 36 1HB LEU 36 4.443 -9.005 -2.946 267 HG LEU 36 HG LEU 36 7.254 -10.097 -2.969 268 HD11 LEU 36 1HD1 LEU 36 4.534 -11.386 -2.986 269 HD12 LEU 36 2HD1 LEU 36 5.778 -11.515 -1.742 270 HD13 LEU 36 3HD1 LEU 36 6.036 -12.245 -3.328 271 HD21 LEU 36 3HD2 LEU 36 5.216 -9.819 -5.159 272 HD22 LEU 36 1HD2 LEU 36 6.505 -11.019 -5.214 273 HD23 LEU 36 2HD2 LEU 36 6.902 -9.302 -5.156 274 H TRP 37 H TRP 37 5.207 -6.332 -1.146 275 HA TRP 37 HA TRP 37 2.705 -5.434 -2.050 276 HB2 TRP 37 2HB TRP 37 4.582 -4.630 0.159 277 HB3 TRP 37 1HB TRP 37 3.135 -3.675 -0.171 278 HD1 TRP 37 HD TRP 37 3.188 -7.459 -0.516 279 HE1 TRP 37 1HE TRP 37 1.582 -8.465 1.291 280 HE3 TRP 37 3HE TRP 37 2.101 -3.190 1.998 281 HZ2 TRP 37 2HZ TRP 37 -0.046 -7.443 3.457 282 HZ3 TRP 37 3HZ TRP 37 0.525 -3.246 3.851 283 HH2 TRP 37 HH TRP 37 -0.538 -5.278 4.550 284 H LEU 38 H LEU 38 6.009 -3.962 -2.117 285 HA LEU 38 HA LEU 38 5.534 -1.385 -2.803 286 HB2 LEU 38 2HB LEU 38 7.463 -3.341 -4.065 287 HB3 LEU 38 1HB LEU 38 7.411 -1.673 -4.514 288 HG LEU 38 HG LEU 38 8.099 -2.788 -1.815 289 HD11 LEU 38 1HD1 LEU 38 9.728 -2.513 -3.885 290 HD12 LEU 38 2HD1 LEU 38 10.246 -2.157 -2.238 291 HD13 LEU 38 3HD1 LEU 38 9.765 -0.845 -3.315 292 HD21 LEU 38 3HD2 LEU 38 7.733 0.101 -2.596 293 HD22 LEU 38 1HD2 LEU 38 8.326 -0.495 -1.046 294 HD23 LEU 38 2HD2 LEU 38 6.667 -0.820 -1.537 295 H LYS 39 H LYS 39 5.334 -4.272 -5.033 296 HA LYS 39 HA LYS 39 4.525 -3.016 -7.308 297 HB2 LYS 39 2HB LYS 39 4.353 -5.686 -6.100 298 HB3 LYS 39 1HB LYS 39 3.179 -5.404 -7.359 299 HG2 LYS 39 2HG LYS 39 5.551 -6.424 -7.819 300 HG3 LYS 39 1HG LYS 39 4.762 -5.362 -8.991 301 HD2 LYS 39 2HD LYS 39 6.404 -3.985 -6.974 302 HD3 LYS 39 1HD LYS 39 7.299 -5.050 -8.055 303 HE2 LYS 39 2HE LYS 39 5.342 -3.410 -9.453 304 HE3 LYS 39 1HE LYS 39 6.541 -2.452 -8.585 305 HZ1 LYS 39 3HZ LYS 39 7.767 -2.784 -10.411 306 HZ2 LYS 39 1HZ LYS 39 6.854 -4.113 -10.926 307 HZ3 LYS 39 2HZ LYS 39 8.068 -4.318 -9.766 308 H ASN 40 H ASN 40 2.227 -4.515 -5.032 309 HA ASN 40 HA ASN 40 -0.058 -3.554 -6.324 310 HB2 ASN 40 2HB ASN 40 -0.677 -3.863 -3.569 311 HB3 ASN 40 1HB ASN 40 -1.048 -4.943 -4.896 312 HD21 ASN 40 1HD2 ASN 40 -0.398 -5.417 -2.102 313 HD22 ASN 40 2HD2 ASN 40 0.939 -6.502 -2.116 314 H VAL 41 H VAL 41 1.960 -2.066 -3.982 315 HA VAL 41 HA VAL 41 -0.042 -0.190 -3.237 316 HB VAL 41 HB VAL 41 2.177 -1.076 -1.938 317 HG11 VAL 41 1HG1 VAL 41 2.623 1.802 -2.664 318 HG12 VAL 41 2HG1 VAL 41 3.557 0.459 -3.306 319 HG13 VAL 41 3HG1 VAL 41 3.608 0.823 -1.581 320 HG21 VAL 41 3HG2 VAL 41 1.380 1.318 -0.704 321 HG22 VAL 41 1HG2 VAL 41 0.797 -0.312 -0.377 322 HG23 VAL 41 2HG2 VAL 41 -0.044 0.704 -1.552 323 H SER 42 H SER 42 2.401 -0.119 -5.764 324 HA SER 42 HA SER 42 1.614 1.908 -7.214 325 HB2 SER 42 2HB SER 42 1.104 3.710 -5.872 326 HB3 SER 42 1HB SER 42 2.143 3.188 -4.528 327 HG SER 42 HG SER 42 3.374 4.747 -5.226 328 H ARG 43 H ARG 43 4.680 2.977 -5.532 329 HA ARG 43 HA ARG 43 6.818 2.850 -6.224 330 HB2 ARG 43 2HB ARG 43 7.075 0.598 -6.163 331 HB3 ARG 43 1HB ARG 43 5.696 0.287 -7.200 332 HG2 ARG 43 2HG ARG 43 6.951 0.284 -9.085 333 HG3 ARG 43 1HG ARG 43 8.047 1.533 -8.490 334 HD2 ARG 43 2HD ARG 43 8.970 -0.212 -6.911 335 HD3 ARG 43 1HD ARG 43 8.049 -1.402 -7.828 336 HE ARG 43 HE ARG 43 9.642 -1.299 -9.455 337 HH11 ARG 43 1HH1 ARG 43 9.883 1.583 -7.500 338 HH12 ARG 43 2HH1 ARG 43 11.312 2.153 -8.296 339 HH21 ARG 43 1HH2 ARG 43 11.520 -0.552 -10.501 340 HH22 ARG 43 2HH2 ARG 43 12.242 0.942 -9.999 341 H ALA 44 H ALA 44 4.913 1.914 -9.125 342 HA ALA 44 HA ALA 44 6.553 3.482 -10.869 343 HB1 ALA 44 1HB ALA 44 5.187 1.333 -11.358 344 HB2 ALA 44 2HB ALA 44 5.292 2.579 -12.602 345 HB3 ALA 44 3HB ALA 44 3.837 2.441 -11.611 346 H GLY 45 H GLY 45 6.152 5.673 -9.509 347 HA2 GLY 45 2HA GLY 45 3.760 6.931 -9.249 348 HA3 GLY 45 1HA GLY 45 5.245 7.778 -9.632 349 H VAL 46 H VAL 46 5.646 6.778 -12.219 350 HA VAL 46 HA VAL 46 5.211 7.504 -14.356 351 HB VAL 46 HB VAL 46 3.908 5.458 -14.282 352 HG11 VAL 46 1HG1 VAL 46 1.701 7.212 -13.223 353 HG12 VAL 46 2HG1 VAL 46 2.438 5.818 -12.446 354 HG13 VAL 46 3HG1 VAL 46 1.437 5.596 -13.876 355 HG21 VAL 46 3HG2 VAL 46 2.135 7.411 -15.693 356 HG22 VAL 46 1HG2 VAL 46 2.667 5.810 -16.206 357 HG23 VAL 46 2HG2 VAL 46 3.796 7.164 -16.232 358 H SER 47 H SER 47 5.222 9.841 -13.066 359 HA SER 47 HA SER 47 2.939 11.225 -14.293 360 HB2 SER 47 2HB SER 47 2.206 12.298 -12.318 361 HB3 SER 47 1HB SER 47 2.425 10.606 -11.863 362 HG SER 47 HG SER 47 4.033 11.142 -10.583 363 H GLY 48 H GLY 48 5.920 11.939 -12.099 364 HA2 GLY 48 2HA GLY 48 6.985 13.565 -14.218 365 HA3 GLY 48 1HA GLY 48 6.284 14.531 -12.930 366 H CYS 49 H CYS 49 7.815 11.458 -12.295 367 HA CYS 49 HA CYS 49 9.528 10.940 -10.880 368 HB2 CYS 49 2HB CYS 49 10.846 13.036 -12.617 369 HB3 CYS 49 1HB CYS 49 11.714 11.912 -11.576 370 HG CYS 49 HG CYS 49 11.268 11.249 -14.270 371 H PHE 50 H PHE 50 11.327 13.807 -10.846 372 HA PHE 50 HA PHE 50 11.763 15.397 -9.280 373 HB2 PHE 50 2HB PHE 50 9.288 15.903 -9.767 374 HB3 PHE 50 1HB PHE 50 8.920 15.034 -8.281 375 HD1 PHE 50 2HD PHE 50 11.588 17.476 -9.197 376 HD2 PHE 50 1HD PHE 50 8.321 16.523 -6.643 377 HE1 PHE 50 2HE PHE 50 12.009 19.525 -7.901 378 HE2 PHE 50 1HE PHE 50 8.735 18.571 -5.343 379 HZ PHE 50 HZ PHE 50 10.580 20.074 -5.971 380 H SER 51 H SER 51 9.368 13.264 -7.484 381 HA SER 51 HA SER 51 11.565 12.692 -5.598 382 HB2 SER 51 2HB SER 51 8.675 13.357 -5.100 383 HB3 SER 51 1HB SER 51 9.584 12.396 -3.934 384 HG SER 51 HG SER 51 9.674 14.641 -3.473 385 H THR 52 H THR 52 8.738 11.510 -7.302 386 HA THR 52 HA THR 52 7.992 9.427 -7.803 387 HB THR 52 HB THR 52 9.580 7.790 -8.340 388 HG1 THR 52 1HG THR 52 11.430 8.961 -6.546 389 HG21 THR 52 3HG2 THR 52 11.721 9.689 -8.526 390 HG22 THR 52 1HG2 THR 52 10.193 10.427 -9.007 391 HG23 THR 52 2HG2 THR 52 10.751 8.957 -9.804 392 H PHE 53 H PHE 53 8.186 10.413 -4.903 393 HA PHE 53 HA PHE 53 7.932 9.624 -2.763 394 HB2 PHE 53 2HB PHE 53 5.998 8.047 -2.602 395 HB3 PHE 53 1HB PHE 53 5.675 9.465 -3.596 396 HD1 PHE 53 1HD PHE 53 6.871 5.936 -3.927 397 HD2 PHE 53 2HD PHE 53 4.694 9.164 -5.645 398 HE1 PHE 53 1HE PHE 53 6.191 4.482 -5.771 399 HE2 PHE 53 2HE PHE 53 4.005 7.709 -7.502 400 HZ PHE 53 HZ PHE 53 4.752 5.362 -7.571 401 H GLN 54 H GLN 54 10.144 8.308 -4.165 402 HA GLN 54 HA GLN 54 10.670 5.790 -4.264 403 HB2 GLN 54 2HB GLN 54 12.154 7.969 -3.283 404 HB3 GLN 54 1HB GLN 54 12.432 6.648 -2.159 405 HG2 GLN 54 2HG GLN 54 12.584 5.775 -4.915 406 HG3 GLN 54 1HG GLN 54 13.719 7.078 -4.565 407 HE21 GLN 54 1HE2 GLN 54 15.435 6.706 -3.228 408 HE22 GLN 54 2HE2 GLN 54 15.856 5.140 -2.632 409 HA PRO 55 HA PRO 55 8.791 3.622 -0.866 410 HB2 PRO 55 2HB PRO 55 10.471 1.333 -1.484 411 HB3 PRO 55 1HB PRO 55 8.727 1.517 -1.650 412 HG2 PRO 55 2HG PRO 55 10.426 1.370 -3.776 413 HG3 PRO 55 1HG PRO 55 8.864 2.200 -3.819 414 HD2 PRO 55 2HD PRO 55 11.610 3.334 -3.599 415 HD3 PRO 55 1HD PRO 55 10.177 3.984 -4.421 416 H THR 56 H THR 56 12.248 3.869 -1.300 417 HA THR 56 HA THR 56 13.255 2.685 0.990 418 HB THR 56 HB THR 56 14.924 4.686 0.922 419 HG1 THR 56 1HG THR 56 13.602 6.140 -0.200 420 HG21 THR 56 3HG2 THR 56 14.559 3.003 -1.543 421 HG22 THR 56 1HG2 THR 56 15.451 2.546 -0.093 422 HG23 THR 56 2HG2 THR 56 16.022 3.881 -1.094 423 H THR 57 H THR 57 11.700 5.968 0.627 424 HA THR 57 HA THR 57 12.154 6.915 3.196 425 HB THR 57 HB THR 57 11.191 8.236 1.338 426 HG1 THR 57 1HG THR 57 10.577 9.454 2.909 427 HG21 THR 57 3HG2 THR 57 9.305 6.210 1.142 428 HG22 THR 57 1HG2 THR 57 9.301 7.752 0.288 429 HG23 THR 57 2HG2 THR 57 8.425 7.584 1.809 430 H GLY 58 H GLY 58 9.988 4.419 2.102 431 HA2 GLY 58 2HA GLY 58 9.334 2.841 3.927 432 HA3 GLY 58 1HA GLY 58 8.911 4.267 4.842 433 H HIS 59 H HIS 59 7.838 2.371 1.912 434 HA HIS 59 HA HIS 59 5.455 3.971 1.762 435 HB2 HIS 59 2HB HIS 59 6.722 1.945 0.116 436 HB3 HIS 59 1HB HIS 59 5.001 1.622 0.294 437 HD1 HIS 59 1HD HIS 59 6.985 4.819 -0.286 438 HD2 HIS 59 2HD HIS 59 3.722 2.761 -1.870 439 HE1 HIS 59 1HE HIS 59 6.100 6.255 -2.142 440 HE2 HIS 59 2HE HIS 59 4.185 4.960 -3.125 441 H ARG 60 H ARG 60 3.554 3.601 2.563 442 HA ARG 60 HA ARG 60 3.096 1.219 4.254 443 HB2 ARG 60 2HB ARG 60 1.693 2.633 5.620 444 HB3 ARG 60 1HB ARG 60 3.194 3.492 5.364 445 HG2 ARG 60 2HG ARG 60 1.891 4.565 3.365 446 HG3 ARG 60 1HG ARG 60 0.486 4.081 4.312 447 HD2 ARG 60 2HD ARG 60 2.697 5.968 5.058 448 HD3 ARG 60 1HD ARG 60 0.963 6.275 5.007 449 HE ARG 60 HE ARG 60 1.349 4.295 6.896 450 HH11 ARG 60 1HH1 ARG 60 2.336 7.609 6.431 451 HH12 ARG 60 2HH1 ARG 60 2.438 7.947 8.127 452 HH21 ARG 60 1HH2 ARG 60 1.480 4.738 9.126 453 HH22 ARG 60 2HH2 ARG 60 1.951 6.318 9.656 454 H LEU 61 H LEU 61 0.548 0.676 4.256 455 HA LEU 61 HA LEU 61 -0.394 1.150 1.531 456 HB2 LEU 61 2HB LEU 61 0.311 -1.205 2.210 457 HB3 LEU 61 1HB LEU 61 -1.172 -1.275 3.147 458 HG LEU 61 HG LEU 61 -2.418 -1.693 1.359 459 HD11 LEU 61 1HD1 LEU 61 -0.836 0.472 0.197 460 HD12 LEU 61 2HD1 LEU 61 -2.568 0.268 0.272 461 HD13 LEU 61 3HD1 LEU 61 -1.624 -0.618 -0.924 462 HD21 LEU 61 3HD2 LEU 61 0.231 -2.132 -0.001 463 HD22 LEU 61 1HD2 LEU 61 -1.315 -2.809 -0.490 464 HD23 LEU 61 2HD2 LEU 61 -0.594 -3.297 1.035 465 H CYS 62 H CYS 62 -2.962 1.264 1.297 466 HA CYS 62 HA CYS 62 -3.930 2.469 3.736 467 HB2 CYS 62 2HB CYS 62 -4.697 4.216 2.568 468 HB3 CYS 62 1HB CYS 62 -3.483 3.653 1.451 469 H SER 63 H SER 63 -6.561 2.611 3.678 470 HA SER 63 HA SER 63 -7.311 0.381 4.881 471 HB2 SER 63 2HB SER 63 -8.457 2.913 4.134 472 HB3 SER 63 1HB SER 63 -9.690 1.662 4.094 473 HG SER 63 HG SER 63 -7.902 1.935 6.267 474 H VAL 64 H VAL 64 -9.803 1.047 3.010 475 HA VAL 64 HA VAL 64 -11.020 -1.265 2.777 476 HB VAL 64 HB VAL 64 -12.320 -0.481 0.873 477 HG11 VAL 64 1HG1 VAL 64 -11.782 1.030 3.325 478 HG12 VAL 64 2HG1 VAL 64 -13.313 0.486 2.639 479 HG13 VAL 64 3HG1 VAL 64 -12.561 1.971 2.053 480 HG21 VAL 64 3HG2 VAL 64 -11.230 0.706 -0.652 481 HG22 VAL 64 1HG2 VAL 64 -9.927 1.104 0.474 482 HG23 VAL 64 2HG2 VAL 64 -11.408 2.071 0.452 483 H HIS 65 H HIS 65 -8.569 -2.189 2.174 484 HA HIS 65 HA HIS 65 -8.880 -3.225 -0.578 485 HB2 HIS 65 2HB HIS 65 -6.386 -3.645 0.985 486 HB3 HIS 65 1HB HIS 65 -6.603 -3.580 -0.762 487 HD1 HIS 65 1HD HIS 65 -8.231 -0.718 0.708 488 HD2 HIS 65 2HD HIS 65 -4.397 -1.743 -0.374 489 HE1 HIS 65 1HE HIS 65 -6.963 1.408 0.734 490 H PHE 66 H PHE 66 -7.681 -4.585 2.625 491 HA PHE 66 HA PHE 66 -8.022 -7.211 1.755 492 HB2 PHE 66 2HB PHE 66 -8.260 -6.550 4.666 493 HB3 PHE 66 1HB PHE 66 -7.349 -7.831 3.876 494 HD1 PHE 66 2HD PHE 66 -7.312 -4.204 4.745 495 HD2 PHE 66 1HD PHE 66 -5.110 -7.529 3.227 496 HE1 PHE 66 2HE PHE 66 -5.219 -2.934 4.959 497 HE2 PHE 66 1HE PHE 66 -3.032 -6.253 3.439 498 HZ PHE 66 HZ PHE 66 -3.078 -3.964 4.302 499 H GLN 67 H GLN 67 -9.694 -8.782 3.025 500 HA GLN 67 HA GLN 67 -12.264 -7.401 2.859 501 HB2 GLN 67 2HB GLN 67 -13.153 -9.798 2.803 502 HB3 GLN 67 1HB GLN 67 -12.295 -9.193 1.394 503 HG2 GLN 67 2HG GLN 67 -10.366 -10.399 3.051 504 HG3 GLN 67 1HG GLN 67 -11.749 -11.484 2.999 505 HE21 GLN 67 1HE2 GLN 67 -10.564 -13.000 1.816 506 HE22 GLN 67 2HE2 GLN 67 -10.233 -12.780 0.135 507 H GLY 68 H GLY 68 -12.736 -6.709 5.270 508 HA2 GLY 68 2HA GLY 68 -12.836 -6.945 7.525 509 HA3 GLY 68 1HA GLY 68 -13.675 -8.421 7.077 510 H GLY 69 H GLY 69 -12.678 -8.697 9.444 511 HA2 GLY 69 2HA GLY 69 -11.300 -9.824 10.818 512 HA3 GLY 69 1HA GLY 69 -10.930 -10.827 9.441 513 H ARG 70 H ARG 70 -8.929 -10.056 8.071 514 HA ARG 70 HA ARG 70 -7.246 -8.004 8.810 515 HB2 ARG 70 2HB ARG 70 -5.536 -9.123 10.142 516 HB3 ARG 70 1HB ARG 70 -7.071 -9.172 10.991 517 HG2 ARG 70 2HG ARG 70 -7.241 -11.510 9.732 518 HG3 ARG 70 1HG ARG 70 -5.484 -11.368 9.812 519 HD2 ARG 70 2HD ARG 70 -5.605 -11.059 12.224 520 HD3 ARG 70 1HD ARG 70 -7.365 -11.147 12.159 521 HE ARG 70 HE ARG 70 -5.551 -13.335 12.194 522 HH11 ARG 70 1HH1 ARG 70 -8.627 -12.299 10.910 523 HH12 ARG 70 2HH1 ARG 70 -9.251 -13.909 10.769 524 HH21 ARG 70 1HH2 ARG 70 -6.371 -15.453 12.012 525 HH22 ARG 70 2HH2 ARG 70 -7.972 -15.698 11.395 526 H LYS 71 H LYS 71 -8.160 -9.282 6.553 527 HA LYS 71 HA LYS 71 -7.555 -10.089 4.566 528 HB2 LYS 71 2HB LYS 71 -5.721 -9.132 3.679 529 HB3 LYS 71 1HB LYS 71 -5.704 -8.267 5.205 530 HG2 LYS 71 2HG LYS 71 -4.195 -10.412 5.847 531 HG3 LYS 71 1HG LYS 71 -3.829 -10.261 4.131 532 HD2 LYS 71 2HD LYS 71 -2.231 -8.988 5.385 533 HD3 LYS 71 1HD LYS 71 -3.287 -7.869 4.529 534 HE2 LYS 71 2HE LYS 71 -4.515 -8.352 7.016 535 HE3 LYS 71 1HE LYS 71 -2.787 -8.124 7.338 536 HZ1 LYS 71 3HZ LYS 71 -4.655 -6.241 6.030 537 HZ2 LYS 71 1HZ LYS 71 -2.974 -6.060 5.932 538 HZ3 LYS 71 2HZ LYS 71 -3.747 -6.005 7.436 539 H THR 72 H THR 72 -7.905 -12.185 4.355 540 HA THR 72 HA THR 72 -5.838 -14.032 4.254 541 HB THR 72 HB THR 72 -6.902 -15.441 6.285 542 HG1 THR 72 1HG THR 72 -6.794 -12.868 7.407 543 HG21 THR 72 3HG2 THR 72 -4.513 -13.990 5.828 544 HG22 THR 72 1HG2 THR 72 -4.776 -15.392 6.868 545 HG23 THR 72 2HG2 THR 72 -4.994 -13.764 7.512 546 H TYR 73 H TYR 73 -6.808 -16.403 4.450 547 HA TYR 73 HA TYR 73 -8.326 -17.955 3.751 548 HB2 TYR 73 2HB TYR 73 -10.005 -15.800 4.485 549 HB3 TYR 73 1HB TYR 73 -10.560 -16.352 2.910 550 HD1 TYR 73 1HD TYR 73 -9.986 -17.347 6.411 551 HD2 TYR 73 2HD TYR 73 -11.651 -18.469 2.659 552 HE1 TYR 73 1HE TYR 73 -11.172 -19.205 7.500 553 HE2 TYR 73 2HE TYR 73 -12.842 -20.331 3.739 554 HH TYR 73 HH TYR 73 -12.178 -21.319 6.958 555 H THR 74 H THR 74 -7.038 -15.472 1.952 556 HA THR 74 HA THR 74 -6.956 -16.917 -0.429 557 HB THR 74 HB THR 74 -8.546 -14.799 -1.420 558 HG1 THR 74 1HG THR 74 -9.422 -14.771 0.754 559 HG21 THR 74 3HG2 THR 74 -9.346 -17.684 -1.105 560 HG22 THR 74 1HG2 THR 74 -8.322 -17.060 -2.397 561 HG23 THR 74 2HG2 THR 74 -9.993 -16.512 -2.254 562 H VAL 75 H VAL 75 -7.352 -13.561 0.657 563 HA VAL 75 HA VAL 75 -5.406 -12.647 -1.268 564 HB VAL 75 HB VAL 75 -6.422 -10.791 0.819 565 HG11 VAL 75 1HG1 VAL 75 -6.552 -9.291 -1.134 566 HG12 VAL 75 2HG1 VAL 75 -6.032 -10.625 -2.164 567 HG13 VAL 75 3HG1 VAL 75 -4.947 -9.990 -0.925 568 HG21 VAL 75 3HG2 VAL 75 -8.234 -11.255 -1.487 569 HG22 VAL 75 1HG2 VAL 75 -8.586 -10.655 0.132 570 HG23 VAL 75 2HG2 VAL 75 -8.334 -12.379 -0.136 571 H ARG 76 H ARG 76 -3.282 -12.298 -0.912 572 HA ARG 76 HA ARG 76 -2.364 -12.213 1.892 573 HB2 ARG 76 2HB ARG 76 -1.059 -13.244 -0.617 574 HB3 ARG 76 1HB ARG 76 -0.088 -12.765 0.767 575 HG2 ARG 76 2HG ARG 76 -1.774 -14.357 2.039 576 HG3 ARG 76 1HG ARG 76 -1.911 -15.077 0.433 577 HD2 ARG 76 2HD ARG 76 0.847 -14.549 1.126 578 HD3 ARG 76 1HD ARG 76 0.065 -15.567 2.334 579 HE ARG 76 HE ARG 76 -0.035 -17.265 0.797 580 HH11 ARG 76 1HH1 ARG 76 0.739 -14.284 -0.846 581 HH12 ARG 76 2HH1 ARG 76 1.080 -15.060 -2.356 582 HH21 ARG 76 1HH2 ARG 76 0.413 -18.286 -1.189 583 HH22 ARG 76 2HH2 ARG 76 0.894 -17.331 -2.551 584 H VAL 77 H VAL 77 -1.927 -10.810 -1.335 585 HA VAL 77 HA VAL 77 -0.630 -8.468 -0.128 586 HB VAL 77 HB VAL 77 0.617 -8.177 -2.051 587 HG11 VAL 77 1HG1 VAL 77 -0.030 -11.063 -2.533 588 HG12 VAL 77 2HG1 VAL 77 0.938 -10.520 -1.163 589 HG13 VAL 77 3HG1 VAL 77 1.492 -10.214 -2.810 590 HG21 VAL 77 3HG2 VAL 77 -1.217 -7.747 -3.552 591 HG22 VAL 77 1HG2 VAL 77 -1.608 -9.466 -3.621 592 HG23 VAL 77 2HG2 VAL 77 -0.093 -8.876 -4.308 593 HA PRO 78 HA PRO 78 -4.512 -6.224 -0.501 594 HB2 PRO 78 2HB PRO 78 -2.456 -4.091 -0.897 595 HB3 PRO 78 1HB PRO 78 -3.964 -4.005 0.006 596 HG2 PRO 78 2HG PRO 78 -1.852 -4.413 1.410 597 HG3 PRO 78 1HG PRO 78 -3.154 -5.606 1.606 598 HD2 PRO 78 2HD PRO 78 -0.717 -5.779 -0.117 599 HD3 PRO 78 1HD PRO 78 -1.307 -6.966 1.077 600 H THR 79 H THR 79 -4.128 -7.429 -3.045 601 HA THR 79 HA THR 79 -4.374 -4.926 -4.570 602 HB THR 79 HB THR 79 -4.405 -7.069 -6.401 603 HG1 THR 79 1HG THR 79 -3.522 -8.563 -5.158 604 HG21 THR 79 3HG2 THR 79 -2.759 -4.795 -5.838 605 HG22 THR 79 1HG2 THR 79 -3.036 -5.632 -7.366 606 HG23 THR 79 2HG2 THR 79 -1.762 -6.182 -6.275 607 H ILE 80 H ILE 80 -6.361 -4.320 -4.452 608 HA ILE 80 HA ILE 80 -8.474 -6.157 -5.339 609 HB ILE 80 HB ILE 80 -8.372 -4.716 -2.806 610 HG12 ILE 80 2HG1 ILE 80 -10.753 -6.124 -2.876 611 HG13 ILE 80 1HG1 ILE 80 -9.744 -6.997 -4.029 612 HG21 ILE 80 1HG2 ILE 80 -10.848 -4.027 -2.944 613 HG22 ILE 80 2HG2 ILE 80 -10.583 -3.972 -4.686 614 HG23 ILE 80 3HG2 ILE 80 -9.633 -2.942 -3.614 615 HD11 ILE 80 3HD1 ILE 80 -8.256 -6.428 -1.643 616 HD12 ILE 80 1HD1 ILE 80 -8.653 -7.983 -2.374 617 HD13 ILE 80 2HD1 ILE 80 -9.778 -7.228 -1.239 618 H PHE 81 H PHE 81 -8.510 -5.345 -7.510 619 HA PHE 81 HA PHE 81 -9.670 -2.755 -7.819 620 HB2 PHE 81 2HB PHE 81 -7.055 -2.814 -9.253 621 HB3 PHE 81 1HB PHE 81 -7.975 -1.445 -8.664 622 HD1 PHE 81 1HD PHE 81 -7.950 -1.154 -5.980 623 HD2 PHE 81 2HD PHE 81 -5.071 -3.355 -8.245 624 HE1 PHE 81 1HE PHE 81 -6.336 -0.942 -4.140 625 HE2 PHE 81 2HE PHE 81 -3.450 -3.125 -6.376 626 HZ PHE 81 HZ PHE 81 -4.106 -1.950 -4.311 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 9.261 14.877 -6.248 2 H2 GLY 1 2HT GLY 1 9.279 14.087 -4.752 3 H3 GLY 1 3HT GLY 1 10.727 14.636 -5.435 4 HA2 GLY 1 1HA GLY 1 10.018 16.099 -3.649 5 HA3 GLY 1 2HA GLY 1 10.034 16.923 -5.200 6 H SER 2 H SER 2 7.946 15.336 -2.838 7 HA SER 2 HA SER 2 5.947 17.306 -3.011 8 HB2 SER 2 2HB SER 2 4.185 16.192 -4.184 9 HB3 SER 2 1HB SER 2 5.606 16.123 -5.226 10 HG SER 2 HG SER 2 4.489 14.066 -3.640 11 HA PRO 3 HA PRO 3 4.951 15.278 0.792 12 HB2 PRO 3 2HB PRO 3 2.597 16.433 1.374 13 HB3 PRO 3 1HB PRO 3 4.112 17.346 1.398 14 HG2 PRO 3 2HG PRO 3 2.005 17.228 -0.727 15 HG3 PRO 3 1HG PRO 3 2.875 18.637 -0.093 16 HD2 PRO 3 2HD PRO 3 3.536 17.382 -2.427 17 HD3 PRO 3 1HD PRO 3 4.709 18.253 -1.419 18 H GLY 4 H GLY 4 4.554 13.432 -1.124 19 HA2 GLY 4 2HA GLY 4 2.353 11.936 -0.123 20 HA3 GLY 4 1HA GLY 4 1.995 12.578 -1.722 21 H PHE 5 H PHE 5 1.923 9.946 -1.864 22 HA PHE 5 HA PHE 5 4.451 9.233 -3.123 23 HB2 PHE 5 2HB PHE 5 3.322 7.176 -1.294 24 HB3 PHE 5 1HB PHE 5 4.980 7.444 -1.802 25 HD1 PHE 5 2HD PHE 5 6.252 9.385 -0.834 26 HD2 PHE 5 1HD PHE 5 2.535 8.035 0.740 27 HE1 PHE 5 2HE PHE 5 6.730 10.547 1.280 28 HE2 PHE 5 1HE PHE 5 3.005 9.196 2.856 29 HZ PHE 5 HZ PHE 5 5.105 10.453 3.130 30 H THR 6 H THR 6 1.127 8.231 -2.467 31 HA THR 6 HA THR 6 -0.459 7.597 -4.072 32 HB THR 6 HB THR 6 1.738 6.443 -5.779 33 HG1 THR 6 1HG THR 6 0.884 9.103 -5.530 34 HG21 THR 6 3HG2 THR 6 -0.171 7.433 -7.438 35 HG22 THR 6 1HG2 THR 6 -1.136 6.853 -6.079 36 HG23 THR 6 2HG2 THR 6 -0.044 5.752 -6.922 37 H CYS 7 H CYS 7 -1.586 5.948 -3.200 38 HA CYS 7 HA CYS 7 -0.238 3.519 -2.321 39 HB2 CYS 7 2HB CYS 7 -1.931 4.098 -0.771 40 HB3 CYS 7 1HB CYS 7 -3.112 4.496 -2.011 41 H CYS 8 H CYS 8 -0.798 4.388 -5.311 42 HA CYS 8 HA CYS 8 -1.400 3.287 -7.246 43 HB2 CYS 8 2HB CYS 8 0.094 1.530 -6.597 44 HB3 CYS 8 1HB CYS 8 -0.971 0.971 -5.333 45 HG CYS 8 HG CYS 8 -1.323 0.381 -8.364 46 H VAL 9 H VAL 9 -3.147 4.217 -5.076 47 HA VAL 9 HA VAL 9 -5.406 2.542 -4.832 48 HB VAL 9 HB VAL 9 -4.953 4.006 -3.044 49 HG11 VAL 9 1HG1 VAL 9 -4.269 5.862 -5.159 50 HG12 VAL 9 2HG1 VAL 9 -3.658 5.730 -3.510 51 HG13 VAL 9 3HG1 VAL 9 -5.150 6.613 -3.831 52 HG21 VAL 9 3HG2 VAL 9 -7.028 5.800 -4.103 53 HG22 VAL 9 1HG2 VAL 9 -6.975 4.878 -2.596 54 HG23 VAL 9 2HG2 VAL 9 -7.430 4.087 -4.114 55 HA PRO 10 HA PRO 10 -6.966 3.890 -8.895 56 HB2 PRO 10 2HB PRO 10 -8.677 1.816 -9.170 57 HB3 PRO 10 1HB PRO 10 -6.948 1.643 -9.504 58 HG2 PRO 10 2HG PRO 10 -8.480 0.889 -7.035 59 HG3 PRO 10 1HG PRO 10 -7.253 -0.041 -7.915 60 HD2 PRO 10 2HD PRO 10 -6.662 1.347 -5.666 61 HD3 PRO 10 1HD PRO 10 -5.510 1.148 -6.999 62 H GLY 11 H GLY 11 -8.198 3.449 -5.810 63 HA2 GLY 11 2HA GLY 11 -9.903 5.417 -5.499 64 HA3 GLY 11 1HA GLY 11 -10.904 4.291 -6.411 65 H CYS 12 H CYS 12 -8.526 2.884 -4.297 66 HA CYS 12 HA CYS 12 -10.341 1.366 -2.931 67 HB2 CYS 12 2HB CYS 12 -8.391 1.696 -0.976 68 HB3 CYS 12 1HB CYS 12 -8.453 0.434 -2.181 69 H TYR 13 H TYR 13 -8.647 3.530 -0.758 70 HA TYR 13 HA TYR 13 -11.236 4.629 0.089 71 HB2 TYR 13 2HB TYR 13 -9.760 2.769 1.482 72 HB3 TYR 13 1HB TYR 13 -9.323 4.284 2.242 73 HD1 TYR 13 1HD TYR 13 -12.630 3.502 0.757 74 HD2 TYR 13 2HD TYR 13 -10.388 3.982 4.344 75 HE1 TYR 13 1HE TYR 13 -14.711 3.444 2.061 76 HE2 TYR 13 2HE TYR 13 -12.464 3.925 5.655 77 HH TYR 13 HH TYR 13 -15.346 2.829 4.492 78 H ASN 14 H ASN 14 -7.859 4.851 0.760 79 HA ASN 14 HA ASN 14 -7.876 7.766 0.550 80 HB2 ASN 14 2HB ASN 14 -5.807 6.644 2.215 81 HB3 ASN 14 1HB ASN 14 -6.927 7.935 2.581 82 HD21 ASN 14 1HD2 ASN 14 -9.319 6.814 2.576 83 HD22 ASN 14 2HD2 ASN 14 -9.440 5.502 3.693 84 H ASN 15 H ASN 15 -5.659 8.706 -0.258 85 HA ASN 15 HA ASN 15 -4.404 6.633 -1.919 86 HB2 ASN 15 2HB ASN 15 -5.428 8.480 -3.172 87 HB3 ASN 15 1HB ASN 15 -4.465 9.645 -2.274 88 HD21 ASN 15 1HD2 ASN 15 -4.737 8.217 -5.150 89 HD22 ASN 15 2HD2 ASN 15 -3.090 8.235 -5.669 90 H SER 16 H SER 16 -1.824 6.946 -2.215 91 HA SER 16 HA SER 16 -0.791 7.542 0.393 92 HB2 SER 16 2HB SER 16 -0.178 5.409 -1.005 93 HB3 SER 16 1HB SER 16 0.817 6.453 -1.952 94 HG SER 16 HG SER 16 1.996 5.519 -0.258 95 H HIS 17 H HIS 17 -1.565 9.563 -2.015 96 HA HIS 17 HA HIS 17 0.497 11.456 -1.306 97 HB2 HIS 17 2HB HIS 17 1.452 11.797 -3.389 98 HB3 HIS 17 1HB HIS 17 1.187 10.061 -3.452 99 HD1 HIS 17 1HD HIS 17 -1.279 9.451 -4.627 100 HD2 HIS 17 2HD HIS 17 0.523 13.072 -5.577 101 HE1 HIS 17 1HE HIS 17 -2.350 10.191 -6.777 102 HE2 HIS 17 2HE HIS 17 -1.314 12.430 -7.280 103 H ARG 18 H ARG 18 -2.579 11.109 -1.222 104 HA ARG 18 HA ARG 18 -3.131 13.751 -2.402 105 HB2 ARG 18 2HB ARG 18 -4.882 13.042 -3.621 106 HB3 ARG 18 1HB ARG 18 -4.094 11.477 -3.497 107 HG2 ARG 18 2HG ARG 18 -5.529 11.154 -1.386 108 HG3 ARG 18 1HG ARG 18 -6.480 12.503 -2.009 109 HD2 ARG 18 2HD ARG 18 -5.933 10.534 -4.062 110 HD3 ARG 18 1HD ARG 18 -6.755 9.821 -2.676 111 HE ARG 18 HE ARG 18 -7.831 11.747 -4.543 112 HH11 ARG 18 1HH1 ARG 18 -8.169 10.243 -1.408 113 HH12 ARG 18 2HH1 ARG 18 -9.858 10.601 -1.284 114 HH21 ARG 18 1HH2 ARG 18 -10.051 12.219 -4.374 115 HH22 ARG 18 2HH2 ARG 18 -10.926 11.722 -2.964 116 H ASP 19 H ASP 19 -2.811 12.407 0.455 117 HA ASP 19 HA ASP 19 -4.415 14.294 1.809 118 HB2 ASP 19 2HB ASP 19 -5.494 11.520 1.657 119 HB3 ASP 19 1HB ASP 19 -5.773 12.550 3.054 120 H LYS 20 H LYS 20 -3.481 10.974 2.553 121 HA LYS 20 HA LYS 20 -2.092 10.125 4.128 122 HB2 LYS 20 2HB LYS 20 -0.160 11.190 3.725 123 HB3 LYS 20 1HB LYS 20 -0.953 12.736 3.518 124 HG2 LYS 20 2HG LYS 20 0.536 13.043 5.285 125 HG3 LYS 20 1HG LYS 20 -1.035 12.861 6.062 126 HD2 LYS 20 2HD LYS 20 -0.147 11.237 7.307 127 HD3 LYS 20 1HD LYS 20 -0.001 10.267 5.841 128 HE2 LYS 20 2HE LYS 20 2.203 11.533 5.468 129 HE3 LYS 20 1HE LYS 20 2.057 12.005 7.160 130 HZ1 LYS 20 3HZ LYS 20 2.062 9.708 7.807 131 HZ2 LYS 20 1HZ LYS 20 3.410 9.994 6.824 132 HZ3 LYS 20 2HZ LYS 20 2.058 9.198 6.194 133 H ALA 21 H ALA 21 -4.709 11.830 4.750 134 HA ALA 21 HA ALA 21 -4.258 12.037 7.647 135 HB1 ALA 21 1HB ALA 21 -5.096 14.064 7.125 136 HB2 ALA 21 2HB ALA 21 -6.622 13.216 7.383 137 HB3 ALA 21 3HB ALA 21 -6.012 13.457 5.745 138 H LEU 22 H LEU 22 -5.340 9.569 5.772 139 HA LEU 22 HA LEU 22 -7.562 8.951 7.594 140 HB2 LEU 22 2HB LEU 22 -7.110 7.677 4.861 141 HB3 LEU 22 1HB LEU 22 -8.552 7.557 5.872 142 HG LEU 22 HG LEU 22 -8.788 9.019 3.900 143 HD11 LEU 22 1HD1 LEU 22 -9.719 10.951 5.417 144 HD12 LEU 22 2HD1 LEU 22 -9.346 9.808 6.707 145 HD13 LEU 22 3HD1 LEU 22 -10.457 9.349 5.414 146 HD21 LEU 22 3HD2 LEU 22 -7.773 11.006 3.668 147 HD22 LEU 22 1HD2 LEU 22 -6.450 10.060 4.349 148 HD23 LEU 22 2HD2 LEU 22 -7.380 11.155 5.380 149 H HIS 23 H HIS 23 -7.013 5.778 6.720 150 HA HIS 23 HA HIS 23 -5.100 5.506 8.861 151 HB2 HIS 23 2HB HIS 23 -7.503 4.218 8.208 152 HB3 HIS 23 1HB HIS 23 -6.252 3.027 7.875 153 HD1 HIS 23 1HD HIS 23 -8.437 3.693 10.438 154 HD2 HIS 23 2HD HIS 23 -4.300 3.289 10.367 155 HE1 HIS 23 1HE HIS 23 -7.776 3.114 12.795 156 HE2 HIS 23 2HE HIS 23 -5.261 2.966 12.746 157 H PHE 24 H PHE 24 -3.042 4.308 8.522 158 HA PHE 24 HA PHE 24 -2.685 3.333 5.802 159 HB2 PHE 24 2HB PHE 24 -0.740 5.002 7.372 160 HB3 PHE 24 1HB PHE 24 -0.312 4.123 5.918 161 HD1 PHE 24 2HD PHE 24 -2.455 6.826 7.237 162 HD2 PHE 24 1HD PHE 24 -0.817 5.004 3.752 163 HE1 PHE 24 2HE PHE 24 -3.196 8.736 5.874 164 HE2 PHE 24 1HE PHE 24 -1.541 6.906 2.401 165 HZ PHE 24 HZ PHE 24 -2.736 8.775 3.449 166 H TYR 25 H TYR 25 -1.773 1.155 5.701 167 HA TYR 25 HA TYR 25 -1.062 -0.076 8.222 168 HB2 TYR 25 2HB TYR 25 -1.332 -1.143 5.394 169 HB3 TYR 25 1HB TYR 25 -0.583 -2.095 6.658 170 HD1 TYR 25 2HD TYR 25 -3.685 0.001 6.445 171 HD2 TYR 25 1HD TYR 25 -1.932 -3.750 7.428 172 HE1 TYR 25 2HE TYR 25 -5.899 -0.849 7.104 173 HE2 TYR 25 1HE TYR 25 -4.132 -4.631 8.077 174 HH TYR 25 HH TYR 25 -6.595 -2.979 8.895 175 H THR 26 H THR 26 1.175 -1.163 8.466 176 HA THR 26 HA THR 26 3.142 0.417 6.957 177 HB THR 26 HB THR 26 4.324 -1.031 9.166 178 HG1 THR 26 1HG THR 26 2.599 -1.084 10.387 179 HG21 THR 26 3HG2 THR 26 5.449 0.873 9.218 180 HG22 THR 26 1HG2 THR 26 4.015 1.672 9.864 181 HG23 THR 26 2HG2 THR 26 4.287 1.626 8.123 182 H PHE 27 H PHE 27 5.349 -0.853 6.701 183 HA PHE 27 HA PHE 27 4.682 -3.094 5.121 184 HB2 PHE 27 2HB PHE 27 6.660 -1.137 5.237 185 HB3 PHE 27 1HB PHE 27 7.454 -2.684 5.112 186 HD1 PHE 27 2HD PHE 27 4.174 -2.348 3.581 187 HD2 PHE 27 1HD PHE 27 8.360 -1.900 2.982 188 HE1 PHE 27 2HE PHE 27 3.832 -2.328 1.154 189 HE2 PHE 27 1HE PHE 27 8.023 -1.890 0.569 190 HZ PHE 27 HZ PHE 27 5.728 -2.102 -0.364 191 HA PRO 28 HA PRO 28 5.696 -6.558 7.906 192 HB2 PRO 28 2HB PRO 28 6.864 -7.447 5.245 193 HB3 PRO 28 1HB PRO 28 6.037 -8.451 6.429 194 HG2 PRO 28 2HG PRO 28 4.706 -7.571 4.376 195 HG3 PRO 28 1HG PRO 28 3.958 -7.449 5.974 196 HD2 PRO 28 2HD PRO 28 5.075 -5.340 4.233 197 HD3 PRO 28 1HD PRO 28 3.791 -5.255 5.429 198 H LYS 29 H LYS 29 7.806 -7.828 8.495 199 HA LYS 29 HA LYS 29 10.026 -5.954 8.491 200 HB2 LYS 29 2HB LYS 29 10.592 -8.481 9.798 201 HB3 LYS 29 1HB LYS 29 10.586 -6.856 10.462 202 HG2 LYS 29 2HG LYS 29 8.098 -7.041 10.668 203 HG3 LYS 29 1HG LYS 29 8.254 -8.739 10.209 204 HD2 LYS 29 2HD LYS 29 9.982 -8.833 12.147 205 HD3 LYS 29 1HD LYS 29 9.191 -7.351 12.690 206 HE2 LYS 29 2HE LYS 29 7.071 -8.470 12.832 207 HE3 LYS 29 1HE LYS 29 7.743 -9.928 12.103 208 HZ1 LYS 29 3HZ LYS 29 9.359 -9.684 14.170 209 HZ2 LYS 29 1HZ LYS 29 7.891 -10.519 14.265 210 HZ3 LYS 29 2HZ LYS 29 7.996 -8.928 14.828 211 H ASP 30 H ASP 30 9.066 -8.746 6.801 212 HA ASP 30 HA ASP 30 11.738 -9.577 6.053 213 HB2 ASP 30 2HB ASP 30 9.715 -10.631 4.311 214 HB3 ASP 30 1HB ASP 30 10.675 -11.505 5.493 215 H ALA 31 H ALA 31 12.897 -8.386 4.593 216 HA ALA 31 HA ALA 31 12.031 -6.274 3.169 217 HB1 ALA 31 1HB ALA 31 14.331 -8.117 2.844 218 HB2 ALA 31 2HB ALA 31 14.276 -6.394 3.188 219 HB3 ALA 31 3HB ALA 31 14.012 -6.960 1.548 220 H GLU 32 H GLU 32 12.433 -9.469 1.404 221 HA GLU 32 HA GLU 32 11.197 -8.601 -0.935 222 HB2 GLU 32 2HB GLU 32 12.313 -10.661 -0.985 223 HB3 GLU 32 1HB GLU 32 11.403 -11.371 0.288 224 HG2 GLU 32 2HG GLU 32 10.139 -10.588 -2.318 225 HG3 GLU 32 1HG GLU 32 10.950 -12.136 -2.102 226 H LEU 33 H LEU 33 9.291 -10.526 1.554 227 HA LEU 33 HA LEU 33 6.929 -10.292 0.322 228 HB2 LEU 33 2HB LEU 33 7.467 -11.047 2.750 229 HB3 LEU 33 1HB LEU 33 7.143 -9.391 3.187 230 HG LEU 33 HG LEU 33 4.955 -9.701 3.162 231 HD11 LEU 33 1HD1 LEU 33 4.824 -9.589 0.739 232 HD12 LEU 33 2HD1 LEU 33 3.731 -10.840 1.331 233 HD13 LEU 33 3HD1 LEU 33 5.272 -11.288 0.614 234 HD21 LEU 33 3HD2 LEU 33 4.203 -12.124 3.156 235 HD22 LEU 33 1HD2 LEU 33 5.365 -11.618 4.379 236 HD23 LEU 33 2HD2 LEU 33 5.908 -12.513 2.958 237 H ARG 34 H ARG 34 8.713 -7.770 1.830 238 HA ARG 34 HA ARG 34 6.854 -5.670 1.723 239 HB2 ARG 34 2HB ARG 34 8.467 -4.341 2.586 240 HB3 ARG 34 1HB ARG 34 9.289 -5.862 2.853 241 HG2 ARG 34 2HG ARG 34 11.021 -4.944 1.802 242 HG3 ARG 34 1HG ARG 34 10.110 -5.100 0.312 243 HD2 ARG 34 2HD ARG 34 9.579 -2.897 0.243 244 HD3 ARG 34 1HD ARG 34 9.554 -2.744 1.995 245 HE ARG 34 HE ARG 34 11.863 -2.395 1.996 246 HH11 ARG 34 1HH1 ARG 34 10.662 -2.937 -1.241 247 HH12 ARG 34 2HH1 ARG 34 12.081 -2.303 -2.003 248 HH21 ARG 34 1HH2 ARG 34 13.721 -1.566 0.995 249 HH22 ARG 34 2HH2 ARG 34 13.821 -1.527 -0.733 250 H ARG 35 H ARG 35 9.524 -6.350 -0.483 251 HA ARG 35 HA ARG 35 8.824 -4.389 -2.291 252 HB2 ARG 35 2HB ARG 35 10.027 -5.684 -4.018 253 HB3 ARG 35 1HB ARG 35 10.951 -5.477 -2.543 254 HG2 ARG 35 2HG ARG 35 11.342 -7.667 -3.224 255 HG3 ARG 35 1HG ARG 35 10.193 -7.794 -1.906 256 HD2 ARG 35 2HD ARG 35 9.786 -9.220 -3.983 257 HD3 ARG 35 1HD ARG 35 8.423 -8.321 -3.346 258 HE ARG 35 HE ARG 35 8.382 -7.077 -5.269 259 HH11 ARG 35 1HH1 ARG 35 11.428 -8.771 -5.076 260 HH12 ARG 35 2HH1 ARG 35 11.920 -8.327 -6.674 261 HH21 ARG 35 1HH2 ARG 35 9.029 -6.490 -7.371 262 HH22 ARG 35 2HH2 ARG 35 10.559 -7.031 -7.978 263 H LEU 36 H LEU 36 7.536 -7.636 -1.736 264 HA LEU 36 HA LEU 36 5.994 -7.685 -4.177 265 HB2 LEU 36 2HB LEU 36 5.588 -8.978 -1.503 266 HB3 LEU 36 1HB LEU 36 4.331 -9.056 -2.713 267 HG LEU 36 HG LEU 36 7.144 -10.105 -3.015 268 HD11 LEU 36 1HD1 LEU 36 5.846 -11.486 -1.532 269 HD12 LEU 36 2HD1 LEU 36 6.008 -12.299 -3.087 270 HD13 LEU 36 3HD1 LEU 36 4.494 -11.499 -2.666 271 HD21 LEU 36 3HD2 LEU 36 6.667 -9.649 -5.188 272 HD22 LEU 36 1HD2 LEU 36 4.920 -9.687 -4.930 273 HD23 LEU 36 2HD2 LEU 36 5.828 -11.194 -5.054 274 H TRP 37 H TRP 37 5.156 -6.382 -0.974 275 HA TRP 37 HA TRP 37 2.621 -5.496 -1.794 276 HB2 TRP 37 2HB TRP 37 4.521 -4.603 0.362 277 HB3 TRP 37 1HB TRP 37 3.012 -3.748 0.064 278 HD1 TRP 37 HD TRP 37 3.276 -7.541 -0.256 279 HE1 TRP 37 1HE TRP 37 1.879 -8.648 1.620 280 HE3 TRP 37 3HE TRP 37 1.879 -3.360 2.331 281 HZ2 TRP 37 2HZ TRP 37 0.345 -7.824 3.862 282 HZ3 TRP 37 3HZ TRP 37 0.480 -3.609 4.297 283 HH2 TRP 37 HH TRP 37 -0.295 -5.752 5.038 284 H LEU 38 H LEU 38 5.917 -4.035 -2.037 285 HA LEU 38 HA LEU 38 5.474 -1.454 -2.729 286 HB2 LEU 38 2HB LEU 38 7.249 -3.478 -4.100 287 HB3 LEU 38 1HB LEU 38 7.184 -1.826 -4.604 288 HG LEU 38 HG LEU 38 8.060 -2.844 -1.923 289 HD11 LEU 38 1HD1 LEU 38 10.040 -1.267 -2.917 290 HD12 LEU 38 2HD1 LEU 38 9.409 -2.010 -4.387 291 HD13 LEU 38 3HD1 LEU 38 9.983 -3.023 -3.065 292 HD21 LEU 38 3HD2 LEU 38 8.648 -0.335 -1.659 293 HD22 LEU 38 1HD2 LEU 38 7.000 -0.875 -1.338 294 HD23 LEU 38 2HD2 LEU 38 7.389 -0.089 -2.869 295 H LYS 39 H LYS 39 5.071 -4.346 -4.914 296 HA LYS 39 HA LYS 39 4.156 -3.107 -7.152 297 HB2 LYS 39 2HB LYS 39 4.024 -5.750 -5.883 298 HB3 LYS 39 1HB LYS 39 2.779 -5.479 -7.078 299 HG2 LYS 39 2HG LYS 39 5.044 -6.569 -7.697 300 HG3 LYS 39 1HG LYS 39 4.290 -5.414 -8.805 301 HD2 LYS 39 2HD LYS 39 5.928 -3.940 -7.013 302 HD3 LYS 39 1HD LYS 39 6.865 -5.327 -7.561 303 HE2 LYS 39 2HE LYS 39 5.782 -4.531 -9.895 304 HE3 LYS 39 1HE LYS 39 5.888 -2.982 -9.059 305 HZ1 LYS 39 3HZ LYS 39 8.091 -4.858 -9.695 306 HZ2 LYS 39 1HZ LYS 39 8.269 -3.584 -8.596 307 HZ3 LYS 39 2HZ LYS 39 7.903 -3.259 -10.214 308 H ASN 40 H ASN 40 2.000 -4.518 -4.700 309 HA ASN 40 HA ASN 40 -0.363 -3.617 -5.855 310 HB2 ASN 40 2HB ASN 40 -0.766 -3.834 -3.030 311 HB3 ASN 40 1HB ASN 40 -1.274 -4.928 -4.303 312 HD21 ASN 40 1HD2 ASN 40 -0.831 -6.200 -2.091 313 HD22 ASN 40 2HD2 ASN 40 0.703 -6.986 -2.051 314 H VAL 41 H VAL 41 1.796 -1.975 -3.695 315 HA VAL 41 HA VAL 41 -0.193 -0.013 -3.080 316 HB VAL 41 HB VAL 41 1.824 -0.767 -1.567 317 HG11 VAL 41 1HG1 VAL 41 3.574 0.872 -1.505 318 HG12 VAL 41 2HG1 VAL 41 2.797 1.806 -2.784 319 HG13 VAL 41 3HG1 VAL 41 3.479 0.230 -3.143 320 HG21 VAL 41 3HG2 VAL 41 1.115 0.928 -0.145 321 HG22 VAL 41 1HG2 VAL 41 -0.239 0.806 -1.278 322 HG23 VAL 41 2HG2 VAL 41 0.953 2.096 -1.459 323 H SER 42 H SER 42 2.220 -0.168 -5.625 324 HA SER 42 HA SER 42 1.227 1.971 -6.988 325 HB2 SER 42 2HB SER 42 1.540 3.922 -5.911 326 HB3 SER 42 1HB SER 42 2.300 3.080 -4.550 327 HG SER 42 HG SER 42 3.450 4.749 -6.182 328 H ARG 43 H ARG 43 4.833 2.459 -6.431 329 HA ARG 43 HA ARG 43 5.490 0.533 -8.430 330 HB2 ARG 43 2HB ARG 43 4.226 2.594 -9.565 331 HB3 ARG 43 1HB ARG 43 5.853 3.258 -9.545 332 HG2 ARG 43 2HG ARG 43 5.874 2.237 -11.573 333 HG3 ARG 43 1HG ARG 43 6.466 0.912 -10.567 334 HD2 ARG 43 2HD ARG 43 3.619 0.848 -10.566 335 HD3 ARG 43 1HD ARG 43 4.172 0.981 -12.234 336 HE ARG 43 HE ARG 43 5.722 -0.980 -11.053 337 HH11 ARG 43 1HH1 ARG 43 2.337 -0.461 -11.730 338 HH12 ARG 43 2HH1 ARG 43 1.984 -2.148 -11.891 339 HH21 ARG 43 1HH2 ARG 43 5.257 -3.199 -11.263 340 HH22 ARG 43 2HH2 ARG 43 3.640 -3.703 -11.625 341 H ALA 44 H ALA 44 6.842 0.651 -6.196 342 HA ALA 44 HA ALA 44 8.723 2.344 -5.416 343 HB1 ALA 44 1HB ALA 44 10.235 0.277 -5.091 344 HB2 ALA 44 2HB ALA 44 8.901 -0.627 -5.809 345 HB3 ALA 44 3HB ALA 44 8.646 0.290 -4.324 346 H GLY 45 H GLY 45 9.121 3.619 -7.664 347 HA2 GLY 45 2HA GLY 45 10.690 2.497 -9.677 348 HA3 GLY 45 1HA GLY 45 10.625 4.205 -9.276 349 H VAL 46 H VAL 46 11.611 3.665 -6.526 350 HA VAL 46 HA VAL 46 13.598 3.683 -5.412 351 HB VAL 46 HB VAL 46 15.055 2.007 -7.357 352 HG11 VAL 46 1HG1 VAL 46 14.633 2.162 -4.413 353 HG12 VAL 46 2HG1 VAL 46 16.132 2.203 -5.340 354 HG13 VAL 46 3HG1 VAL 46 15.269 0.680 -5.126 355 HG21 VAL 46 3HG2 VAL 46 13.047 0.916 -7.793 356 HG22 VAL 46 1HG2 VAL 46 12.462 1.129 -6.142 357 HG23 VAL 46 2HG2 VAL 46 13.748 -0.030 -6.479 358 H SER 47 H SER 47 13.093 5.561 -7.655 359 HA SER 47 HA SER 47 15.678 6.788 -7.681 360 HB2 SER 47 2HB SER 47 16.437 6.340 -9.817 361 HB3 SER 47 1HB SER 47 15.622 4.810 -9.479 362 HG SER 47 HG SER 47 14.689 6.983 -11.036 363 H GLY 48 H GLY 48 12.699 6.654 -9.965 364 HA2 GLY 48 2HA GLY 48 11.366 8.829 -9.153 365 HA3 GLY 48 1HA GLY 48 12.736 9.565 -9.969 366 H CYS 49 H CYS 49 9.658 9.047 -10.435 367 HA CYS 49 HA CYS 49 9.986 8.523 -13.313 368 HB2 CYS 49 2HB CYS 49 8.947 6.593 -12.009 369 HB3 CYS 49 1HB CYS 49 7.566 7.650 -11.737 370 HG CYS 49 HG CYS 49 8.385 6.489 -14.495 371 H PHE 50 H PHE 50 7.477 9.593 -11.013 372 HA PHE 50 HA PHE 50 7.069 11.977 -12.724 373 HB2 PHE 50 2HB PHE 50 5.262 9.958 -12.594 374 HB3 PHE 50 1HB PHE 50 4.724 10.916 -11.218 375 HD1 PHE 50 1HD PHE 50 5.746 11.390 -14.776 376 HD2 PHE 50 2HD PHE 50 3.164 12.551 -11.598 377 HE1 PHE 50 1HE PHE 50 4.553 12.904 -16.304 378 HE2 PHE 50 2HE PHE 50 1.966 14.067 -13.122 379 HZ PHE 50 HZ PHE 50 2.660 14.245 -15.479 380 H SER 51 H SER 51 6.149 10.631 -9.419 381 HA SER 51 HA SER 51 6.539 13.356 -8.382 382 HB2 SER 51 2HB SER 51 5.034 10.976 -7.282 383 HB3 SER 51 1HB SER 51 5.303 12.461 -6.370 384 HG SER 51 HG SER 51 3.924 12.209 -8.838 385 H THR 52 H THR 52 8.066 10.340 -8.533 386 HA THR 52 HA THR 52 9.952 9.505 -7.571 387 HB THR 52 HB THR 52 10.581 11.917 -5.995 388 HG1 THR 52 1HG THR 52 10.157 12.015 -8.785 389 HG21 THR 52 3HG2 THR 52 12.493 11.491 -7.977 390 HG22 THR 52 1HG2 THR 52 11.982 9.886 -7.454 391 HG23 THR 52 2HG2 THR 52 12.590 11.045 -6.273 392 H PHE 53 H PHE 53 7.761 8.684 -6.328 393 HA PHE 53 HA PHE 53 7.823 9.294 -3.501 394 HB2 PHE 53 2HB PHE 53 5.968 7.644 -3.381 395 HB3 PHE 53 1HB PHE 53 5.660 8.916 -4.559 396 HD1 PHE 53 1HD PHE 53 6.667 5.384 -4.155 397 HD2 PHE 53 2HD PHE 53 5.377 8.410 -6.852 398 HE1 PHE 53 1HE PHE 53 6.317 3.678 -5.878 399 HE2 PHE 53 2HE PHE 53 5.011 6.703 -8.588 400 HZ PHE 53 HZ PHE 53 5.481 4.338 -8.099 401 H GLN 54 H GLN 54 10.284 8.197 -4.382 402 HA GLN 54 HA GLN 54 10.897 5.622 -4.356 403 HB2 GLN 54 2HB GLN 54 12.174 7.983 -3.277 404 HB3 GLN 54 1HB GLN 54 12.614 6.553 -2.357 405 HG2 GLN 54 2HG GLN 54 13.359 5.452 -4.390 406 HG3 GLN 54 1HG GLN 54 12.876 6.856 -5.340 407 HE21 GLN 54 1HE2 GLN 54 14.597 6.549 -2.256 408 HE22 GLN 54 2HE2 GLN 54 16.000 7.424 -2.754 409 HA PRO 55 HA PRO 55 8.969 3.740 -0.807 410 HB2 PRO 55 2HB PRO 55 10.699 1.433 -1.166 411 HB3 PRO 55 1HB PRO 55 8.961 1.574 -1.424 412 HG2 PRO 55 2HG PRO 55 10.765 1.271 -3.449 413 HG3 PRO 55 1HG PRO 55 9.189 2.059 -3.630 414 HD2 PRO 55 2HD PRO 55 11.901 3.279 -3.388 415 HD3 PRO 55 1HD PRO 55 10.500 3.803 -4.345 416 H THR 56 H THR 56 12.363 4.273 -1.164 417 HA THR 56 HA THR 56 13.476 3.222 1.137 418 HB THR 56 HB THR 56 14.012 5.994 -0.004 419 HG1 THR 56 1HG THR 56 14.354 4.646 -1.662 420 HG21 THR 56 3HG2 THR 56 16.022 6.030 1.062 421 HG22 THR 56 1HG2 THR 56 16.113 4.274 1.190 422 HG23 THR 56 2HG2 THR 56 15.051 5.183 2.264 423 H THR 57 H THR 57 11.623 6.358 0.770 424 HA THR 57 HA THR 57 11.883 7.261 3.383 425 HB THR 57 HB THR 57 10.913 8.644 1.651 426 HG1 THR 57 1HG THR 57 9.169 9.440 2.802 427 HG21 THR 57 3HG2 THR 57 8.243 7.657 1.532 428 HG22 THR 57 1HG2 THR 57 9.356 6.390 1.017 429 HG23 THR 57 2HG2 THR 57 9.378 7.961 0.218 430 H GLY 58 H GLY 58 10.021 4.616 2.115 431 HA2 GLY 58 2HA GLY 58 9.388 2.902 3.772 432 HA3 GLY 58 1HA GLY 58 8.902 4.220 4.811 433 H HIS 59 H HIS 59 7.816 2.376 1.855 434 HA HIS 59 HA HIS 59 5.444 3.994 1.732 435 HB2 HIS 59 2HB HIS 59 6.646 1.940 0.071 436 HB3 HIS 59 1HB HIS 59 4.923 1.660 0.283 437 HD1 HIS 59 1HD HIS 59 7.056 4.716 -0.435 438 HD2 HIS 59 2HD HIS 59 3.538 2.894 -1.758 439 HE1 HIS 59 1HE HIS 59 6.181 6.180 -2.267 440 HE2 HIS 59 2HE HIS 59 4.111 5.019 -3.109 441 H ARG 60 H ARG 60 3.552 3.630 2.498 442 HA ARG 60 HA ARG 60 3.100 1.321 4.277 443 HB2 ARG 60 2HB ARG 60 1.847 2.768 5.680 444 HB3 ARG 60 1HB ARG 60 3.268 3.679 5.233 445 HG2 ARG 60 2HG ARG 60 1.734 4.572 3.309 446 HG3 ARG 60 1HG ARG 60 0.455 4.107 4.429 447 HD2 ARG 60 2HD ARG 60 2.662 6.102 4.819 448 HD3 ARG 60 1HD ARG 60 0.922 6.353 4.948 449 HE ARG 60 HE ARG 60 1.338 4.611 6.919 450 HH11 ARG 60 1HH1 ARG 60 3.089 7.508 6.056 451 HH12 ARG 60 2HH1 ARG 60 3.589 7.836 7.680 452 HH21 ARG 60 1HH2 ARG 60 1.996 5.043 9.050 453 HH22 ARG 60 2HH2 ARG 60 2.968 6.437 9.382 454 H LEU 61 H LEU 61 0.538 0.899 4.393 455 HA LEU 61 HA LEU 61 -0.444 0.895 1.618 456 HB2 LEU 61 2HB LEU 61 -0.016 -1.117 3.523 457 HB3 LEU 61 1HB LEU 61 -1.749 -0.945 3.462 458 HG LEU 61 HG LEU 61 -0.110 -2.475 1.781 459 HD11 LEU 61 1HD1 LEU 61 -2.304 -3.019 0.774 460 HD12 LEU 61 2HD1 LEU 61 -2.994 -1.830 1.893 461 HD13 LEU 61 3HD1 LEU 61 -2.149 -3.229 2.504 462 HD21 LEU 61 3HD2 LEU 61 -1.013 -1.704 -0.416 463 HD22 LEU 61 1HD2 LEU 61 0.330 -0.791 0.260 464 HD23 LEU 61 2HD2 LEU 61 -1.310 -0.150 0.362 465 H CYS 62 H CYS 62 -3.010 1.083 1.387 466 HA CYS 62 HA CYS 62 -4.032 2.491 3.711 467 HB2 CYS 62 2HB CYS 62 -4.594 4.280 2.536 468 HB3 CYS 62 1HB CYS 62 -3.479 3.629 1.362 469 H SER 63 H SER 63 -6.604 2.687 3.508 470 HA SER 63 HA SER 63 -7.512 0.575 4.733 471 HB2 SER 63 2HB SER 63 -8.572 3.017 3.757 472 HB3 SER 63 1HB SER 63 -9.804 1.772 3.600 473 HG SER 63 HG SER 63 -8.989 3.007 5.803 474 H VAL 64 H VAL 64 -9.581 1.127 2.163 475 HA VAL 64 HA VAL 64 -10.725 -1.361 2.264 476 HB VAL 64 HB VAL 64 -11.923 -0.680 0.136 477 HG11 VAL 64 1HG1 VAL 64 -11.994 1.266 2.432 478 HG12 VAL 64 2HG1 VAL 64 -12.671 -0.360 2.515 479 HG13 VAL 64 3HG1 VAL 64 -13.318 0.807 1.362 480 HG21 VAL 64 3HG2 VAL 64 -9.790 1.172 0.122 481 HG22 VAL 64 1HG2 VAL 64 -11.283 2.073 0.408 482 HG23 VAL 64 2HG2 VAL 64 -11.138 1.027 -1.009 483 H HIS 65 H HIS 65 -8.011 -1.984 1.498 484 HA HIS 65 HA HIS 65 -8.730 -3.623 -0.872 485 HB2 HIS 65 2HB HIS 65 -5.995 -3.379 -1.075 486 HB3 HIS 65 1HB HIS 65 -7.205 -2.602 -2.075 487 HD1 HIS 65 1HD HIS 65 -8.204 -0.393 -0.423 488 HD2 HIS 65 2HD HIS 65 -4.208 -1.450 -0.571 489 HE1 HIS 65 1HE HIS 65 -6.959 1.571 0.460 490 H PHE 66 H PHE 66 -9.137 -4.381 1.694 491 HA PHE 66 HA PHE 66 -7.125 -6.505 2.101 492 HB2 PHE 66 2HB PHE 66 -8.392 -4.616 4.016 493 HB3 PHE 66 1HB PHE 66 -8.141 -6.274 4.557 494 HD1 PHE 66 1HD PHE 66 -5.696 -7.187 3.781 495 HD2 PHE 66 2HD PHE 66 -6.750 -3.145 4.602 496 HE1 PHE 66 1HE PHE 66 -3.335 -6.662 4.257 497 HE2 PHE 66 2HE PHE 66 -4.395 -2.628 5.087 498 HZ PHE 66 HZ PHE 66 -2.689 -4.395 4.923 499 H GLN 67 H GLN 67 -8.793 -7.792 0.603 500 HA GLN 67 HA GLN 67 -11.434 -8.065 1.359 501 HB2 GLN 67 2HB GLN 67 -11.482 -10.032 -0.102 502 HB3 GLN 67 1HB GLN 67 -10.574 -8.719 -0.840 503 HG2 GLN 67 2HG GLN 67 -8.943 -10.171 -1.196 504 HG3 GLN 67 1HG GLN 67 -8.667 -10.180 0.546 505 HE21 GLN 67 1HE2 GLN 67 -9.465 -11.876 1.782 506 HE22 GLN 67 2HE2 GLN 67 -9.985 -13.365 1.078 507 H GLY 68 H GLY 68 -12.540 -9.986 2.670 508 HA2 GLY 68 2HA GLY 68 -12.505 -11.712 4.171 509 HA3 GLY 68 1HA GLY 68 -10.790 -11.920 3.877 510 H GLY 69 H GLY 69 -9.342 -10.117 4.985 511 HA2 GLY 69 2HA GLY 69 -9.525 -8.384 6.794 512 HA3 GLY 69 1HA GLY 69 -10.548 -9.549 7.622 513 H ARG 70 H ARG 70 -7.838 -8.276 8.231 514 HA ARG 70 HA ARG 70 -5.897 -8.879 9.245 515 HB2 ARG 70 2HB ARG 70 -6.580 -11.722 9.630 516 HB3 ARG 70 1HB ARG 70 -6.105 -10.514 10.816 517 HG2 ARG 70 2HG ARG 70 -8.549 -9.626 10.346 518 HG3 ARG 70 1HG ARG 70 -8.791 -11.310 9.878 519 HD2 ARG 70 2HD ARG 70 -8.086 -12.082 12.028 520 HD3 ARG 70 1HD ARG 70 -7.571 -10.462 12.497 521 HE ARG 70 HE ARG 70 -10.363 -10.641 11.837 522 HH11 ARG 70 1HH1 ARG 70 -7.992 -11.016 14.370 523 HH12 ARG 70 2HH1 ARG 70 -9.133 -10.764 15.648 524 HH21 ARG 70 1HH2 ARG 70 -11.867 -10.310 13.517 525 HH22 ARG 70 2HH2 ARG 70 -11.332 -10.363 15.165 526 H LYS 71 H LYS 71 -4.112 -10.882 9.083 527 HA LYS 71 HA LYS 71 -3.975 -11.423 6.199 528 HB2 LYS 71 2HB LYS 71 -1.572 -11.230 7.995 529 HB3 LYS 71 1HB LYS 71 -1.640 -11.134 6.241 530 HG2 LYS 71 2HG LYS 71 -3.160 -9.113 7.723 531 HG3 LYS 71 1HG LYS 71 -1.402 -8.995 7.790 532 HD2 LYS 71 2HD LYS 71 -2.001 -7.693 5.943 533 HD3 LYS 71 1HD LYS 71 -1.498 -9.228 5.237 534 HE2 LYS 71 2HE LYS 71 -4.130 -9.697 5.635 535 HE3 LYS 71 1HE LYS 71 -4.152 -7.968 5.344 536 HZ1 LYS 71 3HZ LYS 71 -2.595 -8.709 3.356 537 HZ2 LYS 71 1HZ LYS 71 -4.282 -8.684 3.217 538 HZ3 LYS 71 2HZ LYS 71 -3.479 -10.140 3.523 539 H THR 72 H THR 72 -5.292 -13.307 6.897 540 HA THR 72 HA THR 72 -4.126 -15.432 8.366 541 HB THR 72 HB THR 72 -5.995 -16.740 7.649 542 HG1 THR 72 1HG THR 72 -6.877 -16.522 5.758 543 HG21 THR 72 3HG2 THR 72 -6.529 -14.749 9.100 544 HG22 THR 72 1HG2 THR 72 -7.872 -15.438 8.187 545 HG23 THR 72 2HG2 THR 72 -7.098 -13.953 7.632 546 H TYR 73 H TYR 73 -5.029 -17.300 5.972 547 HA TYR 73 HA TYR 73 -2.326 -17.543 4.915 548 HB2 TYR 73 2HB TYR 73 -3.580 -19.664 3.834 549 HB3 TYR 73 1HB TYR 73 -2.872 -19.683 5.444 550 HD1 TYR 73 1HD TYR 73 -4.339 -19.444 7.436 551 HD2 TYR 73 2HD TYR 73 -5.936 -19.839 3.513 552 HE1 TYR 73 1HE TYR 73 -6.524 -20.036 8.393 553 HE2 TYR 73 2HE TYR 73 -8.128 -20.433 4.461 554 HH TYR 73 HH TYR 73 -8.866 -20.042 7.774 555 H THR 74 H THR 74 -5.652 -17.286 3.727 556 HA THR 74 HA THR 74 -4.850 -17.117 0.981 557 HB THR 74 HB THR 74 -7.443 -16.020 1.271 558 HG1 THR 74 1HG THR 74 -7.120 -18.339 2.865 559 HG21 THR 74 3HG2 THR 74 -8.180 -18.252 0.427 560 HG22 THR 74 1HG2 THR 74 -6.498 -18.769 0.525 561 HG23 THR 74 2HG2 THR 74 -6.953 -17.446 -0.549 562 H VAL 75 H VAL 75 -6.186 -14.759 3.294 563 HA VAL 75 HA VAL 75 -5.589 -12.539 1.520 564 HB VAL 75 HB VAL 75 -7.645 -12.577 2.873 565 HG11 VAL 75 1HG1 VAL 75 -5.909 -13.432 4.921 566 HG12 VAL 75 2HG1 VAL 75 -7.669 -13.317 4.932 567 HG13 VAL 75 3HG1 VAL 75 -6.695 -11.946 5.454 568 HG21 VAL 75 3HG2 VAL 75 -5.812 -10.328 3.733 569 HG22 VAL 75 1HG2 VAL 75 -7.559 -10.359 3.934 570 HG23 VAL 75 2HG2 VAL 75 -6.869 -10.349 2.317 571 H ARG 76 H ARG 76 -3.271 -12.465 1.379 572 HA ARG 76 HA ARG 76 -1.977 -11.693 3.925 573 HB2 ARG 76 2HB ARG 76 0.111 -12.625 2.407 574 HB3 ARG 76 1HB ARG 76 -0.706 -13.540 3.664 575 HG2 ARG 76 2HG ARG 76 -1.715 -14.927 2.194 576 HG3 ARG 76 1HG ARG 76 -1.894 -13.674 0.964 577 HD2 ARG 76 2HD ARG 76 0.449 -13.853 0.389 578 HD3 ARG 76 1HD ARG 76 0.704 -15.022 1.686 579 HE ARG 76 HE ARG 76 -0.065 -16.645 0.286 580 HH11 ARG 76 1HH1 ARG 76 -1.228 -13.566 -0.877 581 HH12 ARG 76 2HH1 ARG 76 -1.946 -14.234 -2.304 582 HH21 ARG 76 1HH2 ARG 76 -1.006 -17.525 -1.590 583 HH22 ARG 76 2HH2 ARG 76 -1.819 -16.481 -2.710 584 H VAL 77 H VAL 77 -1.942 -11.384 0.368 585 HA VAL 77 HA VAL 77 -0.586 -8.803 0.740 586 HB VAL 77 HB VAL 77 0.607 -9.103 -1.198 587 HG11 VAL 77 1HG1 VAL 77 -0.166 -11.957 -1.293 588 HG12 VAL 77 2HG1 VAL 77 0.595 -11.334 0.171 589 HG13 VAL 77 3HG1 VAL 77 1.423 -11.199 -1.378 590 HG21 VAL 77 3HG2 VAL 77 -1.310 -8.849 -2.645 591 HG22 VAL 77 1HG2 VAL 77 -1.754 -10.536 -2.397 592 HG23 VAL 77 2HG2 VAL 77 -0.256 -10.130 -3.234 593 HA PRO 78 HA PRO 78 -4.584 -6.898 -0.081 594 HB2 PRO 78 2HB PRO 78 -2.734 -4.630 -0.656 595 HB3 PRO 78 1HB PRO 78 -4.176 -4.649 0.358 596 HG2 PRO 78 2HG PRO 78 -1.853 -4.687 1.544 597 HG3 PRO 78 1HG PRO 78 -3.051 -5.892 2.060 598 HD2 PRO 78 2HD PRO 78 -0.775 -6.195 0.129 599 HD3 PRO 78 1HD PRO 78 -1.169 -7.200 1.550 600 H THR 79 H THR 79 -4.344 -8.359 -2.336 601 HA THR 79 HA THR 79 -4.186 -6.128 -4.259 602 HB THR 79 HB THR 79 -4.237 -8.847 -5.378 603 HG1 THR 79 1HG THR 79 -2.666 -9.573 -4.232 604 HG21 THR 79 3HG2 THR 79 -3.074 -7.947 -7.056 605 HG22 THR 79 1HG2 THR 79 -2.012 -7.042 -5.975 606 HG23 THR 79 2HG2 THR 79 -3.613 -6.413 -6.370 607 H ILE 80 H ILE 80 -5.933 -5.380 -4.417 608 HA ILE 80 HA ILE 80 -8.224 -6.803 -5.515 609 HB ILE 80 HB ILE 80 -8.210 -5.048 -3.149 610 HG12 ILE 80 2HG1 ILE 80 -9.934 -7.113 -4.421 611 HG13 ILE 80 1HG1 ILE 80 -9.340 -7.017 -2.774 612 HG21 ILE 80 1HG2 ILE 80 -8.995 -3.574 -5.218 613 HG22 ILE 80 2HG2 ILE 80 -9.758 -3.453 -3.642 614 HG23 ILE 80 3HG2 ILE 80 -10.510 -4.411 -4.914 615 HD11 ILE 80 3HD1 ILE 80 -11.648 -5.495 -3.966 616 HD12 ILE 80 1HD1 ILE 80 -11.017 -5.228 -2.343 617 HD13 ILE 80 2HD1 ILE 80 -11.724 -6.786 -2.770 618 H PHE 81 H PHE 81 -9.004 -5.515 -7.446 619 HA PHE 81 HA PHE 81 -8.723 -3.985 -9.142 620 HB2 PHE 81 2HB PHE 81 -7.493 -1.813 -8.685 621 HB3 PHE 81 1HB PHE 81 -8.879 -2.103 -7.651 622 HD1 PHE 81 2HD PHE 81 -5.143 -2.609 -7.638 623 HD2 PHE 81 1HD PHE 81 -8.655 -1.690 -5.401 624 HE1 PHE 81 2HE PHE 81 -3.768 -2.304 -5.601 625 HE2 PHE 81 1HE PHE 81 -7.294 -1.389 -3.381 626 HZ PHE 81 HZ PHE 81 -4.854 -1.736 -3.445 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 7.748 15.885 6.869 2 H2 GLY 1 2HT GLY 1 8.470 15.218 5.492 3 H3 GLY 1 3HT GLY 1 9.433 15.882 6.714 4 HA2 GLY 1 1HA GLY 1 9.613 13.602 7.063 5 HA3 GLY 1 2HA GLY 1 8.440 14.152 8.249 6 H SER 2 H SER 2 6.407 14.543 6.095 7 HA SER 2 HA SER 2 5.916 11.834 5.162 8 HB2 SER 2 2HB SER 2 3.860 13.223 6.892 9 HB3 SER 2 1HB SER 2 3.786 11.585 6.244 10 HG SER 2 HG SER 2 5.295 12.598 8.370 11 HA PRO 3 HA PRO 3 4.355 15.239 2.385 12 HB2 PRO 3 2HB PRO 3 5.924 14.774 0.259 13 HB3 PRO 3 1HB PRO 3 6.490 15.726 1.638 14 HG2 PRO 3 2HG PRO 3 7.021 12.853 0.978 15 HG3 PRO 3 1HG PRO 3 8.148 14.094 1.555 16 HD2 PRO 3 2HD PRO 3 6.997 12.217 3.179 17 HD3 PRO 3 1HD PRO 3 7.524 13.815 3.743 18 H GLY 4 H GLY 4 4.327 11.902 2.509 19 HA2 GLY 4 2HA GLY 4 2.452 10.690 1.689 20 HA3 GLY 4 1HA GLY 4 2.367 11.804 0.327 21 H PHE 5 H PHE 5 2.245 9.299 -0.565 22 HA PHE 5 HA PHE 5 4.800 8.901 -1.841 23 HB2 PHE 5 2HB PHE 5 3.819 6.424 -0.530 24 HB3 PHE 5 1HB PHE 5 5.453 6.926 -0.925 25 HD1 PHE 5 1HD PHE 5 2.681 7.545 1.452 26 HD2 PHE 5 2HD PHE 5 6.857 7.831 0.686 27 HE1 PHE 5 1HE PHE 5 3.061 8.188 3.796 28 HE2 PHE 5 2HE PHE 5 7.246 8.475 3.029 29 HZ PHE 5 HZ PHE 5 5.347 8.653 4.587 30 H THR 6 H THR 6 1.403 8.438 -1.846 31 HA THR 6 HA THR 6 -0.022 7.881 -3.551 32 HB THR 6 HB THR 6 2.127 6.846 -5.329 33 HG1 THR 6 1HG THR 6 1.815 9.614 -4.819 34 HG21 THR 6 3HG2 THR 6 -0.082 8.819 -5.840 35 HG22 THR 6 1HG2 THR 6 -0.203 7.080 -6.105 36 HG23 THR 6 2HG2 THR 6 0.946 8.035 -7.039 37 H CYS 7 H CYS 7 -1.185 6.179 -2.888 38 HA CYS 7 HA CYS 7 0.004 3.556 -2.504 39 HB2 CYS 7 2HB CYS 7 -1.673 4.131 -0.867 40 HB3 CYS 7 1HB CYS 7 -2.874 4.512 -2.097 41 H CYS 8 H CYS 8 -0.625 5.126 -5.220 42 HA CYS 8 HA CYS 8 -1.332 4.566 -7.323 43 HB2 CYS 8 2HB CYS 8 0.474 2.993 -7.162 44 HB3 CYS 8 1HB CYS 8 -0.479 1.887 -6.185 45 HG CYS 8 HG CYS 8 -0.417 0.963 -8.608 46 H VAL 9 H VAL 9 -3.112 4.773 -5.149 47 HA VAL 9 HA VAL 9 -5.154 2.802 -5.162 48 HB VAL 9 HB VAL 9 -4.911 4.001 -3.160 49 HG11 VAL 9 1HG1 VAL 9 -4.416 6.264 -4.953 50 HG12 VAL 9 2HG1 VAL 9 -3.650 5.819 -3.427 51 HG13 VAL 9 3HG1 VAL 9 -5.206 6.653 -3.426 52 HG21 VAL 9 3HG2 VAL 9 -7.209 5.435 -4.495 53 HG22 VAL 9 1HG2 VAL 9 -6.923 5.300 -2.753 54 HG23 VAL 9 2HG2 VAL 9 -7.301 3.863 -3.710 55 HA PRO 10 HA PRO 10 -7.004 4.689 -8.861 56 HB2 PRO 10 2HB PRO 10 -8.147 2.481 -9.820 57 HB3 PRO 10 1HB PRO 10 -6.396 2.706 -9.936 58 HG2 PRO 10 2HG PRO 10 -7.968 1.060 -7.992 59 HG3 PRO 10 1HG PRO 10 -6.458 0.662 -8.830 60 HD2 PRO 10 2HD PRO 10 -6.612 1.594 -6.233 61 HD3 PRO 10 1HD PRO 10 -5.184 1.730 -7.272 62 H GLY 11 H GLY 11 -8.148 3.420 -6.006 63 HA2 GLY 11 2HA GLY 11 -10.533 4.852 -5.982 64 HA3 GLY 11 1HA GLY 11 -10.911 3.202 -6.453 65 H CYS 12 H CYS 12 -8.387 2.530 -4.591 66 HA CYS 12 HA CYS 12 -10.023 1.771 -2.455 67 HB2 CYS 12 2HB CYS 12 -7.866 1.251 -1.209 68 HB3 CYS 12 1HB CYS 12 -8.188 0.360 -2.676 69 H TYR 13 H TYR 13 -10.688 2.674 -0.766 70 HA TYR 13 HA TYR 13 -11.369 4.747 0.172 71 HB2 TYR 13 2HB TYR 13 -10.319 2.725 1.550 72 HB3 TYR 13 1HB TYR 13 -9.269 4.034 2.078 73 HD1 TYR 13 1HD TYR 13 -12.913 4.007 1.279 74 HD2 TYR 13 2HD TYR 13 -9.909 4.584 4.234 75 HE1 TYR 13 1HE TYR 13 -14.635 4.736 2.877 76 HE2 TYR 13 2HE TYR 13 -11.622 5.316 5.842 77 HH TYR 13 HH TYR 13 -14.047 5.047 6.198 78 H ASN 14 H ASN 14 -7.918 4.629 0.799 79 HA ASN 14 HA ASN 14 -7.811 7.533 0.457 80 HB2 ASN 14 2HB ASN 14 -5.800 6.525 2.221 81 HB3 ASN 14 1HB ASN 14 -6.978 7.760 2.477 82 HD21 ASN 14 1HD2 ASN 14 -6.553 4.307 2.459 83 HD22 ASN 14 2HD2 ASN 14 -7.752 3.970 3.641 84 H ASN 15 H ASN 15 -5.567 8.506 -0.072 85 HA ASN 15 HA ASN 15 -4.197 6.552 -1.784 86 HB2 ASN 15 2HB ASN 15 -5.071 8.508 -2.978 87 HB3 ASN 15 1HB ASN 15 -4.205 9.580 -1.888 88 HD21 ASN 15 1HD2 ASN 15 -4.147 8.188 -4.859 89 HD22 ASN 15 2HD2 ASN 15 -2.459 8.307 -5.202 90 H SER 16 H SER 16 -1.619 6.820 -1.838 91 HA SER 16 HA SER 16 -0.689 6.926 0.834 92 HB2 SER 16 2HB SER 16 0.369 5.215 -0.443 93 HB3 SER 16 1HB SER 16 0.506 6.247 -1.831 94 HG SER 16 HG SER 16 2.157 6.014 0.354 95 H HIS 17 H HIS 17 -1.132 9.412 -1.477 96 HA HIS 17 HA HIS 17 0.545 11.180 0.104 97 HB2 HIS 17 2HB HIS 17 1.961 11.914 -1.601 98 HB3 HIS 17 1HB HIS 17 1.886 10.187 -1.903 99 HD1 HIS 17 1HD HIS 17 -0.920 10.248 -3.365 100 HD2 HIS 17 2HD HIS 17 2.350 12.665 -4.223 101 HE1 HIS 17 1HE HIS 17 -1.233 10.982 -5.750 102 HE2 HIS 17 2HE HIS 17 0.709 12.518 -6.216 103 H ARG 18 H ARG 18 -2.411 10.996 -0.438 104 HA ARG 18 HA ARG 18 -2.712 13.490 -1.938 105 HB2 ARG 18 2HB ARG 18 -4.831 12.902 -2.594 106 HB3 ARG 18 1HB ARG 18 -4.045 11.339 -2.491 107 HG2 ARG 18 2HG ARG 18 -5.268 10.670 -0.673 108 HG3 ARG 18 1HG ARG 18 -5.571 12.324 -0.126 109 HD2 ARG 18 2HD ARG 18 -6.865 10.822 -2.378 110 HD3 ARG 18 1HD ARG 18 -7.628 11.525 -0.954 111 HE ARG 18 HE ARG 18 -6.620 13.691 -2.166 112 HH11 ARG 18 1HH1 ARG 18 -8.523 11.028 -3.385 113 HH12 ARG 18 2HH1 ARG 18 -9.276 11.972 -4.624 114 HH21 ARG 18 1HH2 ARG 18 -7.613 14.932 -3.799 115 HH22 ARG 18 2HH2 ARG 18 -8.759 14.186 -4.862 116 H ASP 19 H ASP 19 -4.079 12.116 1.133 117 HA ASP 19 HA ASP 19 -4.315 14.924 1.990 118 HB2 ASP 19 2HB ASP 19 -6.091 12.642 2.162 119 HB3 ASP 19 1HB ASP 19 -6.006 13.596 3.640 120 H LYS 20 H LYS 20 -2.214 12.463 2.755 121 HA LYS 20 HA LYS 20 -1.152 11.764 4.631 122 HB2 LYS 20 2HB LYS 20 0.093 13.512 5.631 123 HB3 LYS 20 1HB LYS 20 -0.185 13.986 3.964 124 HG2 LYS 20 2HG LYS 20 -1.371 15.795 4.538 125 HG3 LYS 20 1HG LYS 20 -2.216 14.958 5.840 126 HD2 LYS 20 2HD LYS 20 -0.225 15.172 7.259 127 HD3 LYS 20 1HD LYS 20 0.605 16.022 5.955 128 HE2 LYS 20 2HE LYS 20 -1.977 16.969 7.183 129 HE3 LYS 20 1HE LYS 20 -0.387 17.489 7.739 130 HZ1 LYS 20 3HZ LYS 20 -1.339 17.812 4.948 131 HZ2 LYS 20 1HZ LYS 20 0.057 18.475 5.637 132 HZ3 LYS 20 2HZ LYS 20 -1.468 19.017 6.128 133 H ALA 21 H ALA 21 -4.244 12.400 4.995 134 HA ALA 21 HA ALA 21 -4.118 12.214 7.940 135 HB1 ALA 21 1HB ALA 21 -5.980 13.623 8.202 136 HB2 ALA 21 2HB ALA 21 -6.358 13.572 6.480 137 HB3 ALA 21 3HB ALA 21 -4.922 14.428 7.041 138 H LEU 22 H LEU 22 -4.504 10.030 5.792 139 HA LEU 22 HA LEU 22 -7.135 9.061 6.679 140 HB2 LEU 22 2HB LEU 22 -5.677 7.793 4.400 141 HB3 LEU 22 1HB LEU 22 -7.404 8.059 4.615 142 HG LEU 22 HG LEU 22 -5.849 10.524 4.311 143 HD11 LEU 22 1HD1 LEU 22 -4.832 10.141 2.380 144 HD12 LEU 22 2HD1 LEU 22 -6.292 9.439 1.684 145 HD13 LEU 22 3HD1 LEU 22 -5.173 8.431 2.601 146 HD21 LEU 22 3HD2 LEU 22 -7.955 11.171 4.013 147 HD22 LEU 22 1HD2 LEU 22 -8.518 9.507 3.928 148 HD23 LEU 22 2HD2 LEU 22 -7.959 10.325 2.466 149 H HIS 23 H HIS 23 -6.718 6.177 6.282 150 HA HIS 23 HA HIS 23 -4.908 5.763 8.526 151 HB2 HIS 23 2HB HIS 23 -7.426 4.717 7.787 152 HB3 HIS 23 1HB HIS 23 -6.293 3.374 7.700 153 HD1 HIS 23 1HD HIS 23 -8.609 3.908 9.892 154 HD2 HIS 23 2HD HIS 23 -4.510 4.390 10.384 155 HE1 HIS 23 1HE HIS 23 -8.204 3.736 12.368 156 HE2 HIS 23 2HE HIS 23 -5.711 3.984 12.639 157 H PHE 24 H PHE 24 -2.910 4.481 8.269 158 HA PHE 24 HA PHE 24 -2.624 3.248 5.645 159 HB2 PHE 24 2HB PHE 24 -0.529 4.833 7.104 160 HB3 PHE 24 1HB PHE 24 -0.302 4.014 5.563 161 HD1 PHE 24 2HD PHE 24 -2.310 6.649 7.233 162 HD2 PHE 24 1HD PHE 24 -0.838 5.091 3.556 163 HE1 PHE 24 2HE PHE 24 -3.142 8.642 6.055 164 HE2 PHE 24 1HE PHE 24 -1.670 7.077 2.377 165 HZ PHE 24 HZ PHE 24 -2.825 8.855 3.619 166 H TYR 25 H TYR 25 -1.717 1.082 5.627 167 HA TYR 25 HA TYR 25 -1.041 -0.060 8.199 168 HB2 TYR 25 2HB TYR 25 -1.274 -1.298 5.435 169 HB3 TYR 25 1HB TYR 25 -0.804 -2.197 6.870 170 HD1 TYR 25 1HD TYR 25 -3.496 0.349 6.322 171 HD2 TYR 25 2HD TYR 25 -2.515 -3.650 7.401 172 HE1 TYR 25 1HE TYR 25 -5.858 -0.086 6.836 173 HE2 TYR 25 2HE TYR 25 -4.878 -4.096 7.915 174 HH TYR 25 HH TYR 25 -6.923 -2.606 8.618 175 H THR 26 H THR 26 1.174 -1.213 8.462 176 HA THR 26 HA THR 26 3.150 0.288 6.891 177 HB THR 26 HB THR 26 4.389 0.526 8.769 178 HG1 THR 26 1HG THR 26 3.785 -2.169 9.400 179 HG21 THR 26 3HG2 THR 26 2.125 0.982 9.661 180 HG22 THR 26 1HG2 THR 26 3.288 0.452 10.877 181 HG23 THR 26 2HG2 THR 26 2.078 -0.675 10.264 182 H PHE 27 H PHE 27 5.387 -0.944 6.750 183 HA PHE 27 HA PHE 27 4.782 -3.214 5.191 184 HB2 PHE 27 2HB PHE 27 6.655 -1.186 5.187 185 HB3 PHE 27 1HB PHE 27 7.547 -2.689 5.156 186 HD1 PHE 27 2HD PHE 27 4.216 -2.347 3.669 187 HD2 PHE 27 1HD PHE 27 8.404 -2.310 2.917 188 HE1 PHE 27 2HE PHE 27 3.807 -2.552 1.268 189 HE2 PHE 27 1HE PHE 27 7.988 -2.539 0.543 190 HZ PHE 27 HZ PHE 27 5.673 -2.654 -0.303 191 HA PRO 28 HA PRO 28 5.824 -6.636 7.984 192 HB2 PRO 28 2HB PRO 28 6.971 -7.540 5.325 193 HB3 PRO 28 1HB PRO 28 6.163 -8.542 6.520 194 HG2 PRO 28 2HG PRO 28 4.795 -7.676 4.483 195 HG3 PRO 28 1HG PRO 28 4.073 -7.544 6.091 196 HD2 PRO 28 2HD PRO 28 5.148 -5.444 4.316 197 HD3 PRO 28 1HD PRO 28 3.891 -5.359 5.539 198 H LYS 29 H LYS 29 7.895 -7.966 8.507 199 HA LYS 29 HA LYS 29 10.147 -6.169 8.699 200 HB2 LYS 29 2HB LYS 29 11.137 -8.250 9.879 201 HB3 LYS 29 1HB LYS 29 9.860 -7.343 10.677 202 HG2 LYS 29 2HG LYS 29 8.760 -9.424 9.016 203 HG3 LYS 29 1HG LYS 29 9.947 -10.082 10.138 204 HD2 LYS 29 2HD LYS 29 7.721 -8.240 10.990 205 HD3 LYS 29 1HD LYS 29 7.568 -9.998 10.979 206 HE2 LYS 29 2HE LYS 29 9.404 -8.291 12.636 207 HE3 LYS 29 1HE LYS 29 8.172 -9.426 13.184 208 HZ1 LYS 29 3HZ LYS 29 10.860 -9.973 12.133 209 HZ2 LYS 29 1HZ LYS 29 9.647 -11.136 11.936 210 HZ3 LYS 29 2HZ LYS 29 10.086 -10.625 13.487 211 H ASP 30 H ASP 30 9.249 -8.936 6.869 212 HA ASP 30 HA ASP 30 11.909 -9.593 5.972 213 HB2 ASP 30 2HB ASP 30 9.809 -10.632 4.281 214 HB3 ASP 30 1HB ASP 30 10.905 -11.534 5.311 215 H ALA 31 H ALA 31 12.983 -8.315 4.535 216 HA ALA 31 HA ALA 31 12.051 -6.204 3.172 217 HB1 ALA 31 1HB ALA 31 14.017 -6.804 1.510 218 HB2 ALA 31 2HB ALA 31 14.376 -8.000 2.761 219 HB3 ALA 31 3HB ALA 31 14.297 -6.292 3.168 220 H GLU 32 H GLU 32 12.499 -9.341 1.299 221 HA GLU 32 HA GLU 32 11.194 -8.411 -0.978 222 HB2 GLU 32 2HB GLU 32 12.382 -10.446 -1.087 223 HB3 GLU 32 1HB GLU 32 11.435 -11.242 0.102 224 HG2 GLU 32 2HG GLU 32 10.105 -10.279 -2.383 225 HG3 GLU 32 1HG GLU 32 11.122 -11.717 -2.455 226 H LEU 33 H LEU 33 9.380 -10.460 1.487 227 HA LEU 33 HA LEU 33 6.972 -10.212 0.308 228 HB2 LEU 33 2HB LEU 33 7.597 -11.035 2.719 229 HB3 LEU 33 1HB LEU 33 7.235 -9.408 3.201 230 HG LEU 33 HG LEU 33 5.089 -9.859 3.321 231 HD11 LEU 33 1HD1 LEU 33 5.287 -11.004 0.537 232 HD12 LEU 33 2HD1 LEU 33 4.811 -9.366 0.971 233 HD13 LEU 33 3HD1 LEU 33 3.782 -10.728 1.406 234 HD21 LEU 33 3HD2 LEU 33 5.483 -11.932 4.198 235 HD22 LEU 33 1HD2 LEU 33 6.151 -12.554 2.692 236 HD23 LEU 33 2HD2 LEU 33 4.413 -12.314 2.852 237 H ARG 34 H ARG 34 8.772 -7.754 1.884 238 HA ARG 34 HA ARG 34 6.902 -5.667 1.903 239 HB2 ARG 34 2HB ARG 34 8.556 -4.345 2.747 240 HB3 ARG 34 1HB ARG 34 9.353 -5.880 2.974 241 HG2 ARG 34 2HG ARG 34 11.083 -5.057 1.868 242 HG3 ARG 34 1HG ARG 34 10.107 -5.019 0.413 243 HD2 ARG 34 2HD ARG 34 9.785 -2.790 0.524 244 HD3 ARG 34 1HD ARG 34 9.767 -2.775 2.286 245 HE ARG 34 HE ARG 34 11.962 -2.209 2.221 246 HH11 ARG 34 1HH1 ARG 34 11.200 -3.878 -0.748 247 HH12 ARG 34 2HH1 ARG 34 12.790 -3.689 -1.407 248 HH21 ARG 34 1HH2 ARG 34 14.051 -1.959 1.355 249 HH22 ARG 34 2HH2 ARG 34 14.407 -2.599 -0.215 250 H ARG 35 H ARG 35 9.527 -6.203 -0.394 251 HA ARG 35 HA ARG 35 8.733 -4.189 -2.103 252 HB2 ARG 35 2HB ARG 35 9.946 -5.354 -3.905 253 HB3 ARG 35 1HB ARG 35 10.886 -5.211 -2.434 254 HG2 ARG 35 2HG ARG 35 11.375 -7.328 -3.150 255 HG3 ARG 35 1HG ARG 35 10.108 -7.626 -1.978 256 HD2 ARG 35 2HD ARG 35 9.683 -8.965 -3.920 257 HD3 ARG 35 1HD ARG 35 8.472 -7.689 -3.865 258 HE ARG 35 HE ARG 35 10.313 -6.580 -5.435 259 HH11 ARG 35 1HH1 ARG 35 8.924 -9.785 -5.490 260 HH12 ARG 35 2HH1 ARG 35 9.115 -9.971 -7.200 261 HH21 ARG 35 1HH2 ARG 35 10.566 -6.827 -7.679 262 HH22 ARG 35 2HH2 ARG 35 10.047 -8.291 -8.442 263 H LEU 36 H LEU 36 7.504 -7.460 -1.617 264 HA LEU 36 HA LEU 36 5.955 -7.501 -4.028 265 HB2 LEU 36 2HB LEU 36 5.376 -8.870 -1.398 266 HB3 LEU 36 1HB LEU 36 4.527 -9.159 -2.898 267 HG LEU 36 HG LEU 36 7.438 -9.719 -2.375 268 HD11 LEU 36 1HD1 LEU 36 4.962 -11.381 -2.441 269 HD12 LEU 36 2HD1 LEU 36 6.337 -11.447 -1.337 270 HD13 LEU 36 3HD1 LEU 36 6.491 -12.082 -2.976 271 HD21 LEU 36 3HD2 LEU 36 7.243 -9.065 -4.651 272 HD22 LEU 36 1HD2 LEU 36 5.758 -9.995 -4.860 273 HD23 LEU 36 2HD2 LEU 36 7.295 -10.827 -4.628 274 H TRP 37 H TRP 37 5.055 -6.296 -0.794 275 HA TRP 37 HA TRP 37 2.444 -5.580 -1.576 276 HB2 TRP 37 2HB TRP 37 4.346 -4.612 0.538 277 HB3 TRP 37 1HB TRP 37 2.808 -3.792 0.270 278 HD1 TRP 37 HD TRP 37 3.107 -7.553 -0.161 279 HE1 TRP 37 1HE TRP 37 1.746 -8.715 1.737 280 HE3 TRP 37 3HE TRP 37 1.848 -3.461 2.595 281 HZ2 TRP 37 2HZ TRP 37 0.304 -7.941 4.063 282 HZ3 TRP 37 3HZ TRP 37 0.518 -3.726 4.606 283 HH2 TRP 37 HH TRP 37 -0.262 -5.905 5.325 284 H LEU 38 H LEU 38 5.635 -3.923 -1.895 285 HA LEU 38 HA LEU 38 5.038 -1.358 -2.567 286 HB2 LEU 38 2HB LEU 38 6.958 -3.351 -3.457 287 HB3 LEU 38 1HB LEU 38 6.648 -2.190 -4.679 288 HG LEU 38 HG LEU 38 8.598 -1.745 -3.085 289 HD11 LEU 38 1HD1 LEU 38 8.239 0.084 -4.356 290 HD12 LEU 38 2HD1 LEU 38 7.618 0.743 -2.841 291 HD13 LEU 38 3HD1 LEU 38 6.504 0.095 -4.043 292 HD21 LEU 38 3HD2 LEU 38 6.349 -0.879 -1.297 293 HD22 LEU 38 1HD2 LEU 38 8.080 -0.692 -1.005 294 HD23 LEU 38 2HD2 LEU 38 7.365 -2.299 -1.064 295 H LYS 39 H LYS 39 4.861 -4.228 -4.787 296 HA LYS 39 HA LYS 39 3.853 -3.136 -7.012 297 HB2 LYS 39 2HB LYS 39 3.747 -5.730 -5.664 298 HB3 LYS 39 1HB LYS 39 2.490 -5.513 -6.853 299 HG2 LYS 39 2HG LYS 39 4.765 -6.575 -7.492 300 HG3 LYS 39 1HG LYS 39 3.967 -5.457 -8.602 301 HD2 LYS 39 2HD LYS 39 5.742 -4.132 -6.695 302 HD3 LYS 39 1HD LYS 39 6.571 -5.292 -7.732 303 HE2 LYS 39 2HE LYS 39 5.763 -4.194 -9.706 304 HE3 LYS 39 1HE LYS 39 4.739 -3.126 -8.749 305 HZ1 LYS 39 3HZ LYS 39 6.461 -1.729 -8.923 306 HZ2 LYS 39 1HZ LYS 39 7.565 -2.950 -9.313 307 HZ3 LYS 39 2HZ LYS 39 7.164 -2.659 -7.697 308 H ASN 40 H ASN 40 1.644 -4.495 -4.552 309 HA ASN 40 HA ASN 40 -0.675 -3.586 -5.796 310 HB2 ASN 40 2HB ASN 40 -1.456 -3.667 -3.182 311 HB3 ASN 40 1HB ASN 40 -1.385 -5.053 -4.261 312 HD21 ASN 40 1HD2 ASN 40 0.285 -6.527 -4.055 313 HD22 ASN 40 2HD2 ASN 40 1.276 -6.602 -2.642 314 H VAL 41 H VAL 41 1.322 -1.983 -3.430 315 HA VAL 41 HA VAL 41 -0.577 0.127 -3.122 316 HB VAL 41 HB VAL 41 1.360 -0.752 -1.458 317 HG11 VAL 41 1HG1 VAL 41 2.251 1.972 -2.338 318 HG12 VAL 41 2HG1 VAL 41 3.041 0.493 -2.870 319 HG13 VAL 41 3HG1 VAL 41 3.017 0.909 -1.158 320 HG21 VAL 41 3HG2 VAL 41 -0.722 0.464 -0.940 321 HG22 VAL 41 1HG2 VAL 41 0.049 1.961 -1.460 322 HG23 VAL 41 2HG2 VAL 41 0.662 1.099 -0.057 323 H SER 42 H SER 42 2.091 -0.297 -5.345 324 HA SER 42 HA SER 42 1.515 1.820 -6.903 325 HB2 SER 42 2HB SER 42 1.687 3.756 -5.711 326 HB3 SER 42 1HB SER 42 2.410 2.937 -4.310 327 HG SER 42 HG SER 42 4.215 3.825 -4.904 328 H ARG 43 H ARG 43 4.979 2.161 -5.732 329 HA ARG 43 HA ARG 43 5.825 -0.001 -7.354 330 HB2 ARG 43 2HB ARG 43 6.566 1.025 -9.316 331 HB3 ARG 43 1HB ARG 43 4.987 1.741 -9.037 332 HG2 ARG 43 2HG ARG 43 6.348 3.607 -7.836 333 HG3 ARG 43 1HG ARG 43 7.693 2.966 -8.781 334 HD2 ARG 43 2HD ARG 43 5.130 4.191 -9.757 335 HD3 ARG 43 1HD ARG 43 6.784 4.696 -10.085 336 HE ARG 43 HE ARG 43 6.980 2.992 -11.667 337 HH11 ARG 43 1HH1 ARG 43 3.847 2.910 -10.115 338 HH12 ARG 43 2HH1 ARG 43 3.146 1.879 -11.315 339 HH21 ARG 43 1HH2 ARG 43 6.048 1.643 -13.244 340 HH22 ARG 43 2HH2 ARG 43 4.391 1.164 -13.088 341 H ALA 44 H ALA 44 8.334 0.422 -8.011 342 HA ALA 44 HA ALA 44 9.608 1.293 -5.503 343 HB1 ALA 44 1HB ALA 44 11.424 -0.198 -6.101 344 HB2 ALA 44 2HB ALA 44 10.685 -0.508 -7.674 345 HB3 ALA 44 3HB ALA 44 9.885 -1.056 -6.201 346 H GLY 45 H GLY 45 9.594 3.755 -6.326 347 HA2 GLY 45 2HA GLY 45 10.780 4.546 -8.681 348 HA3 GLY 45 1HA GLY 45 10.826 5.476 -7.195 349 H VAL 46 H VAL 46 12.374 3.878 -5.612 350 HA VAL 46 HA VAL 46 14.604 3.851 -5.032 351 HB VAL 46 HB VAL 46 14.156 1.579 -5.820 352 HG11 VAL 46 1HG1 VAL 46 13.575 2.157 -8.159 353 HG12 VAL 46 2HG1 VAL 46 14.732 0.836 -8.035 354 HG13 VAL 46 3HG1 VAL 46 15.283 2.448 -8.480 355 HG21 VAL 46 3HG2 VAL 46 16.340 0.892 -5.738 356 HG22 VAL 46 1HG2 VAL 46 16.500 2.545 -5.146 357 HG23 VAL 46 2HG2 VAL 46 16.898 2.168 -6.822 358 H SER 47 H SER 47 14.362 6.247 -6.221 359 HA SER 47 HA SER 47 16.972 6.548 -7.477 360 HB2 SER 47 2HB SER 47 16.287 7.339 -9.566 361 HB3 SER 47 1HB SER 47 15.140 6.027 -9.294 362 HG SER 47 HG SER 47 14.537 8.468 -9.868 363 H GLY 48 H GLY 48 13.769 8.457 -7.026 364 HA2 GLY 48 2HA GLY 48 13.495 10.347 -5.730 365 HA3 GLY 48 1HA GLY 48 15.172 10.226 -5.221 366 H CYS 49 H CYS 49 16.645 11.548 -6.115 367 HA CYS 49 HA CYS 49 17.547 13.216 -7.366 368 HB2 CYS 49 2HB CYS 49 15.844 11.754 -9.303 369 HB3 CYS 49 1HB CYS 49 16.357 13.370 -9.779 370 HG CYS 49 HG CYS 49 18.871 12.418 -9.307 371 H PHE 50 H PHE 50 14.292 13.418 -8.761 372 HA PHE 50 HA PHE 50 14.186 16.246 -8.166 373 HB2 PHE 50 2HB PHE 50 12.044 14.424 -9.331 374 HB3 PHE 50 1HB PHE 50 12.032 16.184 -9.337 375 HD1 PHE 50 2HD PHE 50 13.716 13.198 -10.687 376 HD2 PHE 50 1HD PHE 50 13.237 17.417 -10.958 377 HE1 PHE 50 2HE PHE 50 14.917 13.193 -12.834 378 HE2 PHE 50 1HE PHE 50 14.434 17.420 -13.107 379 HZ PHE 50 HZ PHE 50 15.277 15.305 -14.047 380 H SER 51 H SER 51 11.779 13.560 -7.396 381 HA SER 51 HA SER 51 11.721 14.041 -4.653 382 HB2 SER 51 2HB SER 51 10.655 16.226 -5.914 383 HB3 SER 51 1HB SER 51 9.215 15.256 -5.606 384 HG SER 51 HG SER 51 11.142 16.091 -3.695 385 H THR 52 H THR 52 11.621 11.797 -6.227 386 HA THR 52 HA THR 52 8.988 10.815 -6.637 387 HB THR 52 HB THR 52 9.985 8.812 -7.287 388 HG1 THR 52 1HG THR 52 11.848 9.364 -5.264 389 HG21 THR 52 3HG2 THR 52 12.606 9.954 -7.653 390 HG22 THR 52 1HG2 THR 52 11.341 11.100 -8.097 391 HG23 THR 52 2HG2 THR 52 11.393 9.507 -8.853 392 H PHE 53 H PHE 53 8.424 8.553 -5.405 393 HA PHE 53 HA PHE 53 8.517 9.248 -2.555 394 HB2 PHE 53 2HB PHE 53 6.558 7.690 -2.361 395 HB3 PHE 53 1HB PHE 53 6.258 9.113 -3.350 396 HD1 PHE 53 1HD PHE 53 7.434 5.580 -3.750 397 HD2 PHE 53 2HD PHE 53 5.173 8.814 -5.341 398 HE1 PHE 53 1HE PHE 53 6.682 4.137 -5.586 399 HE2 PHE 53 2HE PHE 53 4.412 7.375 -7.184 400 HZ PHE 53 HZ PHE 53 5.162 5.033 -7.307 401 H GLN 54 H GLN 54 10.743 7.959 -3.798 402 HA GLN 54 HA GLN 54 11.333 5.461 -3.920 403 HB2 GLN 54 2HB GLN 54 12.601 7.611 -2.427 404 HB3 GLN 54 1HB GLN 54 13.027 6.029 -1.799 405 HG2 GLN 54 2HG GLN 54 13.848 5.341 -3.946 406 HG3 GLN 54 1HG GLN 54 13.275 6.833 -4.687 407 HE21 GLN 54 1HE2 GLN 54 15.977 5.397 -3.973 408 HE22 GLN 54 2HE2 GLN 54 16.963 6.719 -3.461 409 HA PRO 55 HA PRO 55 9.256 3.197 -0.694 410 HB2 PRO 55 2HB PRO 55 10.837 0.859 -1.322 411 HB3 PRO 55 1HB PRO 55 9.133 1.164 -1.645 412 HG2 PRO 55 2HG PRO 55 11.068 1.024 -3.591 413 HG3 PRO 55 1HG PRO 55 9.522 1.869 -3.762 414 HD2 PRO 55 2HD PRO 55 12.240 2.977 -3.247 415 HD3 PRO 55 1HD PRO 55 10.890 3.668 -4.168 416 H THR 56 H THR 56 12.683 3.587 -0.944 417 HA THR 56 HA THR 56 13.672 2.191 1.242 418 HB THR 56 HB THR 56 15.093 4.492 1.440 419 HG1 THR 56 1HG THR 56 15.012 5.673 -0.356 420 HG21 THR 56 3HG2 THR 56 16.342 3.625 -0.697 421 HG22 THR 56 1HG2 THR 56 15.275 2.238 -0.481 422 HG23 THR 56 2HG2 THR 56 16.372 2.718 0.814 423 H THR 57 H THR 57 11.957 5.415 1.158 424 HA THR 57 HA THR 57 12.232 6.041 3.865 425 HB THR 57 HB THR 57 11.413 7.650 2.238 426 HG1 THR 57 1HG THR 57 9.344 7.075 4.087 427 HG21 THR 57 3HG2 THR 57 9.833 7.234 0.752 428 HG22 THR 57 1HG2 THR 57 8.673 6.865 2.029 429 HG23 THR 57 2HG2 THR 57 9.711 5.592 1.383 430 H GLY 58 H GLY 58 10.191 3.726 2.246 431 HA2 GLY 58 2HA GLY 58 9.397 1.878 3.679 432 HA3 GLY 58 1HA GLY 58 8.990 3.097 4.860 433 H HIS 59 H HIS 59 7.777 1.615 1.767 434 HA HIS 59 HA HIS 59 5.574 3.467 1.723 435 HB2 HIS 59 2HB HIS 59 6.569 1.332 -0.013 436 HB3 HIS 59 1HB HIS 59 4.815 1.320 0.132 437 HD1 HIS 59 1HD HIS 59 7.092 4.339 -0.041 438 HD2 HIS 59 2HD HIS 59 4.070 2.518 -2.262 439 HE1 HIS 59 1HE HIS 59 6.606 5.898 -1.941 440 HE2 HIS 59 2HE HIS 59 4.744 4.809 -3.230 441 H ARG 60 H ARG 60 3.576 3.165 2.378 442 HA ARG 60 HA ARG 60 2.983 0.855 4.127 443 HB2 ARG 60 2HB ARG 60 1.573 2.406 5.379 444 HB3 ARG 60 1HB ARG 60 3.171 3.093 5.199 445 HG2 ARG 60 2HG ARG 60 2.166 4.318 3.166 446 HG3 ARG 60 1HG ARG 60 0.617 3.913 3.902 447 HD2 ARG 60 2HD ARG 60 2.750 5.760 4.842 448 HD3 ARG 60 1HD ARG 60 1.000 5.959 4.861 449 HE ARG 60 HE ARG 60 1.800 3.914 6.659 450 HH11 ARG 60 1HH1 ARG 60 1.704 7.383 6.299 451 HH12 ARG 60 2HH1 ARG 60 1.679 7.683 8.004 452 HH21 ARG 60 1HH2 ARG 60 1.770 4.303 8.899 453 HH22 ARG 60 2HH2 ARG 60 1.717 5.934 9.481 454 H LEU 61 H LEU 61 0.404 0.446 4.125 455 HA LEU 61 HA LEU 61 -0.492 0.711 1.316 456 HB2 LEU 61 2HB LEU 61 -1.085 -1.367 3.458 457 HB3 LEU 61 1HB LEU 61 -2.122 -1.202 2.071 458 HG LEU 61 HG LEU 61 0.480 -2.469 2.337 459 HD11 LEU 61 1HD1 LEU 61 -0.567 -4.190 1.430 460 HD12 LEU 61 2HD1 LEU 61 -1.155 -3.218 0.089 461 HD13 LEU 61 3HD1 LEU 61 -2.039 -3.244 1.615 462 HD21 LEU 61 3HD2 LEU 61 1.255 -2.133 0.157 463 HD22 LEU 61 1HD2 LEU 61 0.971 -0.540 0.852 464 HD23 LEU 61 2HD2 LEU 61 -0.193 -1.236 -0.278 465 H CYS 62 H CYS 62 -3.023 1.111 1.100 466 HA CYS 62 HA CYS 62 -3.911 2.420 3.522 467 HB2 CYS 62 2HB CYS 62 -4.620 4.235 2.360 468 HB3 CYS 62 1HB CYS 62 -3.346 3.664 1.314 469 H SER 63 H SER 63 -6.464 2.629 3.501 470 HA SER 63 HA SER 63 -7.425 0.613 4.751 471 HB2 SER 63 2HB SER 63 -8.537 2.938 3.569 472 HB3 SER 63 1HB SER 63 -9.708 1.657 3.416 473 HG SER 63 HG SER 63 -9.178 1.260 5.744 474 H VAL 64 H VAL 64 -9.200 0.935 1.861 475 HA VAL 64 HA VAL 64 -10.331 -1.610 2.124 476 HB VAL 64 HB VAL 64 -11.470 -1.135 -0.005 477 HG11 VAL 64 1HG1 VAL 64 -12.753 -0.246 1.633 478 HG12 VAL 64 2HG1 VAL 64 -12.210 1.285 0.946 479 HG13 VAL 64 3HG1 VAL 64 -11.402 0.619 2.366 480 HG21 VAL 64 3HG2 VAL 64 -11.043 0.995 -1.088 481 HG22 VAL 64 1HG2 VAL 64 -9.594 -0.013 -1.090 482 HG23 VAL 64 2HG2 VAL 64 -9.732 1.325 0.056 483 H HIS 65 H HIS 65 -7.449 -2.119 1.540 484 HA HIS 65 HA HIS 65 -7.761 -3.396 -1.103 485 HB2 HIS 65 2HB HIS 65 -5.198 -3.544 0.389 486 HB3 HIS 65 1HB HIS 65 -5.481 -3.473 -1.349 487 HD1 HIS 65 1HD HIS 65 -7.529 -0.925 -0.400 488 HD2 HIS 65 2HD HIS 65 -3.419 -1.353 -0.262 489 HE1 HIS 65 1HE HIS 65 -6.653 1.327 0.167 490 H PHE 66 H PHE 66 -8.721 -4.425 1.743 491 HA PHE 66 HA PHE 66 -7.655 -7.117 1.295 492 HB2 PHE 66 2HB PHE 66 -8.513 -5.945 3.958 493 HB3 PHE 66 1HB PHE 66 -7.779 -7.516 3.706 494 HD1 PHE 66 2HD PHE 66 -7.121 -3.864 3.794 495 HD2 PHE 66 1HD PHE 66 -5.462 -7.775 3.333 496 HE1 PHE 66 2HE PHE 66 -4.849 -2.957 4.099 497 HE2 PHE 66 1HE PHE 66 -3.208 -6.858 3.642 498 HZ PHE 66 HZ PHE 66 -2.890 -4.467 4.023 499 H GLN 67 H GLN 67 -9.340 -8.912 2.156 500 HA GLN 67 HA GLN 67 -11.919 -8.154 1.120 501 HB2 GLN 67 2HB GLN 67 -10.665 -10.349 0.704 502 HB3 GLN 67 1HB GLN 67 -11.177 -10.813 2.320 503 HG2 GLN 67 2HG GLN 67 -12.944 -11.672 1.260 504 HG3 GLN 67 1HG GLN 67 -13.530 -10.010 1.263 505 HE21 GLN 67 1HE2 GLN 67 -11.768 -8.973 -0.674 506 HE22 GLN 67 2HE2 GLN 67 -12.195 -9.650 -2.205 507 H GLY 68 H GLY 68 -13.283 -6.973 2.937 508 HA2 GLY 68 2HA GLY 68 -14.424 -6.965 4.919 509 HA3 GLY 68 1HA GLY 68 -13.835 -8.584 5.249 510 H GLY 69 H GLY 69 -11.364 -8.642 5.957 511 HA2 GLY 69 2HA GLY 69 -9.925 -6.490 6.811 512 HA3 GLY 69 1HA GLY 69 -11.088 -6.748 8.102 513 H ARG 70 H ARG 70 -8.402 -6.932 8.623 514 HA ARG 70 HA ARG 70 -6.743 -8.271 9.420 515 HB2 ARG 70 2HB ARG 70 -7.439 -9.960 10.967 516 HB3 ARG 70 1HB ARG 70 -8.581 -8.630 11.067 517 HG2 ARG 70 2HG ARG 70 -10.298 -9.856 10.224 518 HG3 ARG 70 1HG ARG 70 -9.246 -10.871 9.243 519 HD2 ARG 70 2HD ARG 70 -8.507 -12.063 11.217 520 HD3 ARG 70 1HD ARG 70 -9.474 -11.007 12.245 521 HE ARG 70 HE ARG 70 -11.323 -12.031 10.595 522 HH11 ARG 70 1HH1 ARG 70 -8.794 -13.539 12.471 523 HH12 ARG 70 2HH1 ARG 70 -9.668 -15.019 12.689 524 HH21 ARG 70 1HH2 ARG 70 -12.472 -13.974 10.883 525 HH22 ARG 70 2HH2 ARG 70 -11.756 -15.265 11.790 526 H LYS 71 H LYS 71 -6.912 -8.576 6.751 527 HA LYS 71 HA LYS 71 -7.411 -10.936 5.552 528 HB2 LYS 71 2HB LYS 71 -6.464 -9.781 3.893 529 HB3 LYS 71 1HB LYS 71 -5.750 -8.672 5.044 530 HG2 LYS 71 2HG LYS 71 -4.304 -11.217 4.684 531 HG3 LYS 71 1HG LYS 71 -4.360 -10.160 3.285 532 HD2 LYS 71 2HD LYS 71 -2.412 -9.934 4.993 533 HD3 LYS 71 1HD LYS 71 -3.147 -8.491 4.311 534 HE2 LYS 71 2HE LYS 71 -4.645 -9.035 6.612 535 HE3 LYS 71 1HE LYS 71 -2.974 -9.358 7.064 536 HZ1 LYS 71 3HZ LYS 71 -2.835 -7.178 7.375 537 HZ2 LYS 71 1HZ LYS 71 -4.269 -6.858 6.535 538 HZ3 LYS 71 2HZ LYS 71 -2.811 -7.026 5.690 539 H THR 72 H THR 72 -7.126 -12.864 6.415 540 HA THR 72 HA THR 72 -4.551 -14.036 6.636 541 HB THR 72 HB THR 72 -4.771 -14.650 9.082 542 HG1 THR 72 1HG THR 72 -6.532 -12.438 9.171 543 HG21 THR 72 3HG2 THR 72 -4.539 -11.692 8.969 544 HG22 THR 72 1HG2 THR 72 -3.362 -12.680 8.102 545 HG23 THR 72 2HG2 THR 72 -3.564 -12.875 9.844 546 H TYR 73 H TYR 73 -5.787 -15.364 5.118 547 HA TYR 73 HA TYR 73 -6.673 -17.763 6.241 548 HB2 TYR 73 2HB TYR 73 -9.055 -17.743 5.789 549 HB3 TYR 73 1HB TYR 73 -8.658 -16.434 6.891 550 HD1 TYR 73 1HD TYR 73 -7.841 -14.236 5.268 551 HD2 TYR 73 2HD TYR 73 -10.816 -17.161 4.438 552 HE1 TYR 73 1HE TYR 73 -8.978 -12.646 3.778 553 HE2 TYR 73 2HE TYR 73 -11.960 -15.579 2.942 554 HH TYR 73 HH TYR 73 -10.839 -13.227 1.542 555 H THR 74 H THR 74 -6.963 -15.574 3.513 556 HA THR 74 HA THR 74 -6.132 -17.718 1.715 557 HB THR 74 HB THR 74 -8.137 -16.156 0.381 558 HG1 THR 74 1HG THR 74 -9.103 -17.563 2.650 559 HG21 THR 74 3HG2 THR 74 -9.043 -18.207 -0.263 560 HG22 THR 74 1HG2 THR 74 -8.428 -19.036 1.167 561 HG23 THR 74 2HG2 THR 74 -7.316 -18.525 -0.102 562 H VAL 75 H VAL 75 -5.813 -14.595 2.782 563 HA VAL 75 HA VAL 75 -4.741 -13.740 0.189 564 HB VAL 75 HB VAL 75 -5.426 -11.646 2.167 565 HG11 VAL 75 1HG1 VAL 75 -5.972 -10.425 0.180 566 HG12 VAL 75 2HG1 VAL 75 -6.017 -11.909 -0.778 567 HG13 VAL 75 3HG1 VAL 75 -4.480 -11.312 -0.146 568 HG21 VAL 75 3HG2 VAL 75 -7.363 -13.386 2.108 569 HG22 VAL 75 1HG2 VAL 75 -7.663 -12.739 0.497 570 HG23 VAL 75 2HG2 VAL 75 -7.732 -11.672 1.900 571 H ARG 76 H ARG 76 -2.606 -13.638 0.147 572 HA ARG 76 HA ARG 76 -1.123 -13.182 2.632 573 HB2 ARG 76 2HB ARG 76 -0.618 -14.731 0.290 574 HB3 ARG 76 1HB ARG 76 0.621 -13.486 0.382 575 HG2 ARG 76 2HG ARG 76 1.225 -14.196 2.608 576 HG3 ARG 76 1HG ARG 76 -0.080 -15.383 2.612 577 HD2 ARG 76 2HD ARG 76 2.165 -15.385 0.605 578 HD3 ARG 76 1HD ARG 76 2.213 -16.292 2.117 579 HE ARG 76 HE ARG 76 0.838 -17.022 -0.255 580 HH11 ARG 76 1HH1 ARG 76 0.599 -17.148 3.226 581 HH12 ARG 76 2HH1 ARG 76 -0.411 -18.555 3.230 582 HH21 ARG 76 1HH2 ARG 76 -0.490 -18.872 -0.249 583 HH22 ARG 76 2HH2 ARG 76 -1.028 -19.535 1.259 584 H VAL 77 H VAL 77 -1.308 -11.967 -0.702 585 HA VAL 77 HA VAL 77 -0.397 -9.347 0.287 586 HB VAL 77 HB VAL 77 0.752 -8.933 -1.765 587 HG11 VAL 77 1HG1 VAL 77 1.340 -11.846 -1.469 588 HG12 VAL 77 2HG1 VAL 77 1.688 -10.739 -0.143 589 HG13 VAL 77 3HG1 VAL 77 2.447 -10.496 -1.715 590 HG21 VAL 77 3HG2 VAL 77 -0.599 -9.578 -3.490 591 HG22 VAL 77 1HG2 VAL 77 -0.903 -11.176 -2.811 592 HG23 VAL 77 2HG2 VAL 77 0.652 -10.814 -3.565 593 HA PRO 78 HA PRO 78 -4.606 -8.222 -0.836 594 HB2 PRO 78 2HB PRO 78 -3.416 -5.504 -0.736 595 HB3 PRO 78 1HB PRO 78 -4.866 -6.129 0.045 596 HG2 PRO 78 2HG PRO 78 -2.729 -5.753 1.501 597 HG3 PRO 78 1HG PRO 78 -3.603 -7.293 1.666 598 HD2 PRO 78 2HD PRO 78 -1.141 -6.699 0.051 599 HD3 PRO 78 1HD PRO 78 -1.425 -8.010 1.233 600 H THR 79 H THR 79 -4.040 -9.044 -3.312 601 HA THR 79 HA THR 79 -3.851 -6.461 -4.736 602 HB THR 79 HB THR 79 -2.817 -7.530 -6.473 603 HG1 THR 79 1HG THR 79 -4.599 -9.705 -6.106 604 HG21 THR 79 3HG2 THR 79 -1.851 -9.789 -6.013 605 HG22 THR 79 1HG2 THR 79 -2.662 -9.739 -4.449 606 HG23 THR 79 2HG2 THR 79 -1.443 -8.528 -4.851 607 H ILE 80 H ILE 80 -5.684 -5.650 -4.697 608 HA ILE 80 HA ILE 80 -8.020 -6.965 -5.874 609 HB ILE 80 HB ILE 80 -7.959 -5.034 -3.515 610 HG12 ILE 80 2HG1 ILE 80 -7.497 -7.362 -2.895 611 HG13 ILE 80 1HG1 ILE 80 -9.063 -6.856 -2.278 612 HG21 ILE 80 1HG2 ILE 80 -10.392 -6.144 -4.914 613 HG22 ILE 80 2HG2 ILE 80 -9.859 -4.461 -4.934 614 HG23 ILE 80 3HG2 ILE 80 -10.393 -5.197 -3.433 615 HD11 ILE 80 3HD1 ILE 80 -8.409 -9.013 -4.056 616 HD12 ILE 80 1HD1 ILE 80 -9.639 -7.954 -4.744 617 HD13 ILE 80 2HD1 ILE 80 -9.894 -8.687 -3.157 618 H PHE 81 H PHE 81 -9.002 -5.444 -7.536 619 HA PHE 81 HA PHE 81 -8.935 -3.670 -8.982 620 HB2 PHE 81 2HB PHE 81 -7.956 -1.449 -8.063 621 HB3 PHE 81 1HB PHE 81 -9.404 -2.080 -7.291 622 HD1 PHE 81 2HD PHE 81 -5.763 -1.542 -6.891 623 HD2 PHE 81 1HD PHE 81 -9.378 -2.799 -5.016 624 HE1 PHE 81 2HE PHE 81 -4.611 -1.575 -4.700 625 HE2 PHE 81 1HE PHE 81 -8.243 -2.839 -2.841 626 HZ PHE 81 HZ PHE 81 -5.855 -2.264 -2.670 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 6.319 19.316 -4.279 2 H2 GLY 1 2HT GLY 1 7.313 20.675 -4.108 3 H3 GLY 1 3HT GLY 1 5.632 20.853 -4.105 4 HA2 GLY 1 1HA GLY 1 7.279 19.510 -2.035 5 HA3 GLY 1 2HA GLY 1 6.425 21.035 -1.864 6 H SER 2 H SER 2 6.221 17.631 -1.666 7 HA SER 2 HA SER 2 3.820 17.680 -0.208 8 HB2 SER 2 2HB SER 2 2.852 18.118 -2.456 9 HB3 SER 2 1HB SER 2 3.522 16.583 -3.013 10 HG SER 2 HG SER 2 1.804 15.690 -2.228 11 HA PRO 3 HA PRO 3 6.058 13.860 0.641 12 HB2 PRO 3 2HB PRO 3 4.952 13.361 3.041 13 HB3 PRO 3 1HB PRO 3 6.169 14.621 2.816 14 HG2 PRO 3 2HG PRO 3 3.192 14.876 2.999 15 HG3 PRO 3 1HG PRO 3 4.449 15.875 3.752 16 HD2 PRO 3 2HD PRO 3 3.121 16.590 1.476 17 HD3 PRO 3 1HD PRO 3 4.775 17.114 1.847 18 H GLY 4 H GLY 4 4.195 13.459 -1.262 19 HA2 GLY 4 2HA GLY 4 2.232 11.569 -0.185 20 HA3 GLY 4 1HA GLY 4 2.232 12.242 -1.812 21 H PHE 5 H PHE 5 1.860 9.612 -1.952 22 HA PHE 5 HA PHE 5 4.331 8.641 -3.059 23 HB2 PHE 5 2HB PHE 5 3.331 6.700 -1.076 24 HB3 PHE 5 1HB PHE 5 4.967 7.088 -1.557 25 HD1 PHE 5 1HD PHE 5 2.149 8.221 0.548 26 HD2 PHE 5 2HD PHE 5 6.316 8.505 -0.268 27 HE1 PHE 5 1HE PHE 5 2.470 9.481 2.638 28 HE2 PHE 5 2HE PHE 5 6.643 9.764 1.818 29 HZ PHE 5 HZ PHE 5 4.719 10.254 3.275 30 H THR 6 H THR 6 0.980 8.599 -3.133 31 HA THR 6 HA THR 6 -0.574 7.431 -4.337 32 HB THR 6 HB THR 6 1.323 5.914 -5.985 33 HG1 THR 6 1HG THR 6 2.740 7.498 -5.901 34 HG21 THR 6 3HG2 THR 6 0.020 7.913 -7.464 35 HG22 THR 6 1HG2 THR 6 -1.152 7.289 -6.304 36 HG23 THR 6 2HG2 THR 6 -0.336 6.187 -7.413 37 H CYS 7 H CYS 7 -1.700 5.821 -3.360 38 HA CYS 7 HA CYS 7 -0.280 3.441 -2.400 39 HB2 CYS 7 2HB CYS 7 -2.339 2.897 -1.134 40 HB3 CYS 7 1HB CYS 7 -1.748 4.502 -0.736 41 H CYS 8 H CYS 8 -1.003 4.077 -5.257 42 HA CYS 8 HA CYS 8 -1.845 2.994 -7.080 43 HB2 CYS 8 2HB CYS 8 -0.379 1.215 -6.476 44 HB3 CYS 8 1HB CYS 8 -1.387 0.727 -5.126 45 HG CYS 8 HG CYS 8 -2.065 0.143 -8.115 46 H VAL 9 H VAL 9 -3.606 4.389 -5.810 47 HA VAL 9 HA VAL 9 -5.882 2.799 -4.980 48 HB VAL 9 HB VAL 9 -5.353 4.696 -3.642 49 HG11 VAL 9 1HG1 VAL 9 -5.690 6.997 -5.010 50 HG12 VAL 9 2HG1 VAL 9 -4.924 5.970 -6.222 51 HG13 VAL 9 3HG1 VAL 9 -4.136 6.240 -4.667 52 HG21 VAL 9 3HG2 VAL 9 -7.849 4.341 -4.455 53 HG22 VAL 9 1HG2 VAL 9 -7.592 5.964 -5.092 54 HG23 VAL 9 2HG2 VAL 9 -7.380 5.658 -3.358 55 HA PRO 10 HA PRO 10 -7.399 3.283 -9.276 56 HB2 PRO 10 2HB PRO 10 -8.838 1.021 -9.307 57 HB3 PRO 10 1HB PRO 10 -7.077 0.972 -9.468 58 HG2 PRO 10 2HG PRO 10 -8.756 0.511 -7.017 59 HG3 PRO 10 1HG PRO 10 -7.407 -0.456 -7.641 60 HD2 PRO 10 2HD PRO 10 -7.067 1.351 -5.639 61 HD3 PRO 10 1HD PRO 10 -5.820 0.994 -6.844 62 H GLY 11 H GLY 11 -9.071 2.295 -6.366 63 HA2 GLY 11 2HA GLY 11 -11.024 4.349 -6.502 64 HA3 GLY 11 1HA GLY 11 -11.711 2.794 -6.960 65 H CYS 12 H CYS 12 -9.076 2.882 -4.721 66 HA CYS 12 HA CYS 12 -10.463 1.466 -2.742 67 HB2 CYS 12 2HB CYS 12 -8.451 1.618 -1.451 68 HB3 CYS 12 1HB CYS 12 -7.946 1.536 -3.132 69 H TYR 13 H TYR 13 -9.345 3.163 -0.459 70 HA TYR 13 HA TYR 13 -11.650 4.920 -0.282 71 HB2 TYR 13 2HB TYR 13 -10.048 3.435 1.703 72 HB3 TYR 13 1HB TYR 13 -10.818 4.931 2.215 73 HD1 TYR 13 2HD TYR 13 -12.445 2.919 -0.348 74 HD2 TYR 13 1HD TYR 13 -12.175 3.673 3.831 75 HE1 TYR 13 2HE TYR 13 -14.560 1.718 -0.002 76 HE2 TYR 13 1HE TYR 13 -14.290 2.470 4.189 77 HH TYR 13 HH TYR 13 -16.397 1.951 2.658 78 H ASN 14 H ASN 14 -8.251 4.881 0.441 79 HA ASN 14 HA ASN 14 -8.184 7.809 0.367 80 HB2 ASN 14 2HB ASN 14 -6.007 6.589 1.755 81 HB3 ASN 14 1HB ASN 14 -7.056 7.877 2.291 82 HD21 ASN 14 1HD2 ASN 14 -9.487 6.620 2.395 83 HD22 ASN 14 2HD2 ASN 14 -9.450 5.358 3.573 84 H ASN 15 H ASN 15 -6.042 8.796 -0.466 85 HA ASN 15 HA ASN 15 -4.777 6.878 -2.290 86 HB2 ASN 15 2HB ASN 15 -5.948 8.944 -3.243 87 HB3 ASN 15 1HB ASN 15 -4.643 9.892 -2.538 88 HD21 ASN 15 1HD2 ASN 15 -5.529 9.259 -5.361 89 HD22 ASN 15 2HD2 ASN 15 -4.085 8.736 -6.153 90 H SER 16 H SER 16 -2.210 7.193 -2.537 91 HA SER 16 HA SER 16 -1.132 7.695 0.075 92 HB2 SER 16 2HB SER 16 -0.268 5.714 -0.964 93 HB3 SER 16 1HB SER 16 -0.083 6.533 -2.473 94 HG SER 16 HG SER 16 1.577 6.505 -0.276 95 H HIS 17 H HIS 17 -1.440 9.699 -2.790 96 HA HIS 17 HA HIS 17 0.468 11.557 -1.583 97 HB2 HIS 17 2HB HIS 17 1.489 12.104 -3.707 98 HB3 HIS 17 1HB HIS 17 1.647 10.375 -3.448 99 HD1 HIS 17 1HD HIS 17 1.281 12.372 -6.155 100 HD2 HIS 17 2HD HIS 17 -1.106 9.293 -4.715 101 HE1 HIS 17 1HE HIS 17 -0.059 11.582 -8.131 102 HE2 HIS 17 2HE HIS 17 -1.405 9.636 -7.261 103 H ARG 18 H ARG 18 -2.557 11.376 -1.892 104 HA ARG 18 HA ARG 18 -2.872 14.105 -2.940 105 HB2 ARG 18 2HB ARG 18 -3.587 12.365 -4.621 106 HB3 ARG 18 1HB ARG 18 -4.854 11.899 -3.499 107 HG2 ARG 18 2HG ARG 18 -5.627 14.317 -3.605 108 HG3 ARG 18 1HG ARG 18 -4.536 14.488 -4.982 109 HD2 ARG 18 2HD ARG 18 -6.459 12.215 -4.945 110 HD3 ARG 18 1HD ARG 18 -7.067 13.829 -5.313 111 HE ARG 18 HE ARG 18 -4.976 13.625 -6.980 112 HH11 ARG 18 1HH1 ARG 18 -7.638 11.462 -6.319 113 HH12 ARG 18 2HH1 ARG 18 -7.643 10.783 -7.912 114 HH21 ARG 18 1HH2 ARG 18 -4.985 12.729 -9.074 115 HH22 ARG 18 2HH2 ARG 18 -6.139 11.500 -9.474 116 H ASP 19 H ASP 19 -2.996 12.383 -0.288 117 HA ASP 19 HA ASP 19 -4.908 14.088 1.005 118 HB2 ASP 19 2HB ASP 19 -5.462 11.165 1.324 119 HB3 ASP 19 1HB ASP 19 -6.476 12.541 1.723 120 H LYS 20 H LYS 20 -3.644 10.895 1.809 121 HA LYS 20 HA LYS 20 -2.247 10.190 3.440 122 HB2 LYS 20 2HB LYS 20 -0.292 11.304 3.579 123 HB3 LYS 20 1HB LYS 20 -1.000 12.331 2.348 124 HG2 LYS 20 2HG LYS 20 -0.427 13.986 3.736 125 HG3 LYS 20 1HG LYS 20 -1.907 13.552 4.591 126 HD2 LYS 20 2HD LYS 20 -0.089 11.792 5.640 127 HD3 LYS 20 1HD LYS 20 0.892 13.237 5.388 128 HE2 LYS 20 2HE LYS 20 -0.047 14.266 7.122 129 HE3 LYS 20 1HE LYS 20 -1.670 13.913 6.530 130 HZ1 LYS 20 3HZ LYS 20 -0.234 11.684 7.715 131 HZ2 LYS 20 1HZ LYS 20 -1.860 12.124 7.858 132 HZ3 LYS 20 2HZ LYS 20 -0.686 12.915 8.783 133 H ALA 21 H ALA 21 -4.903 11.816 3.995 134 HA ALA 21 HA ALA 21 -4.402 12.188 6.876 135 HB1 ALA 21 1HB ALA 21 -6.762 13.381 6.578 136 HB2 ALA 21 2HB ALA 21 -6.152 13.565 4.935 137 HB3 ALA 21 3HB ALA 21 -5.230 14.206 6.294 138 H LEU 22 H LEU 22 -5.337 9.613 5.240 139 HA LEU 22 HA LEU 22 -7.663 9.118 6.966 140 HB2 LEU 22 2HB LEU 22 -7.105 7.895 4.246 141 HB3 LEU 22 1HB LEU 22 -8.487 7.484 5.278 142 HG LEU 22 HG LEU 22 -9.060 9.009 3.469 143 HD11 LEU 22 1HD1 LEU 22 -9.813 10.905 5.259 144 HD12 LEU 22 2HD1 LEU 22 -9.477 9.538 6.321 145 HD13 LEU 22 3HD1 LEU 22 -10.644 9.370 5.010 146 HD21 LEU 22 3HD2 LEU 22 -8.121 10.990 3.097 147 HD22 LEU 22 1HD2 LEU 22 -6.719 10.202 3.821 148 HD23 LEU 22 2HD2 LEU 22 -7.736 11.277 4.789 149 H HIS 23 H HIS 23 -6.580 5.925 5.895 150 HA HIS 23 HA HIS 23 -5.105 5.757 8.396 151 HB2 HIS 23 2HB HIS 23 -7.493 4.565 7.775 152 HB3 HIS 23 1HB HIS 23 -6.342 3.294 7.368 153 HD1 HIS 23 1HD HIS 23 -4.478 4.559 9.871 154 HD2 HIS 23 2HD HIS 23 -8.247 2.812 9.944 155 HE1 HIS 23 1HE HIS 23 -4.785 3.723 12.222 156 HE2 HIS 23 2HE HIS 23 -7.043 2.603 12.223 157 H PHE 24 H PHE 24 -3.013 4.560 8.278 158 HA PHE 24 HA PHE 24 -2.482 3.403 5.653 159 HB2 PHE 24 2HB PHE 24 -0.650 5.199 7.215 160 HB3 PHE 24 1HB PHE 24 -0.184 4.307 5.777 161 HD1 PHE 24 2HD PHE 24 -2.788 6.692 6.948 162 HD2 PHE 24 1HD PHE 24 -0.422 5.331 3.684 163 HE1 PHE 24 2HE PHE 24 -3.710 8.476 5.520 164 HE2 PHE 24 1HE PHE 24 -1.333 7.099 2.267 165 HZ PHE 24 HZ PHE 24 -2.978 8.673 3.172 166 H TYR 25 H TYR 25 -1.827 1.159 5.822 167 HA TYR 25 HA TYR 25 -0.980 0.186 8.411 168 HB2 TYR 25 2HB TYR 25 -1.491 -1.206 5.767 169 HB3 TYR 25 1HB TYR 25 -0.956 -2.046 7.220 170 HD1 TYR 25 1HD TYR 25 -3.593 0.492 6.404 171 HD2 TYR 25 2HD TYR 25 -2.637 -3.209 8.276 172 HE1 TYR 25 1HE TYR 25 -5.937 0.251 7.101 173 HE2 TYR 25 2HE TYR 25 -4.982 -3.464 8.980 174 HH TYR 25 HH TYR 25 -7.441 -2.058 7.734 175 H THR 26 H THR 26 1.217 -1.014 8.618 176 HA THR 26 HA THR 26 3.091 0.308 6.807 177 HB THR 26 HB THR 26 4.364 0.755 8.590 178 HG1 THR 26 1HG THR 26 4.094 -1.922 9.476 179 HG21 THR 26 3HG2 THR 26 3.483 0.609 10.795 180 HG22 THR 26 1HG2 THR 26 2.352 -0.656 10.320 181 HG23 THR 26 2HG2 THR 26 2.156 0.982 9.697 182 H PHE 27 H PHE 27 5.326 -0.854 6.652 183 HA PHE 27 HA PHE 27 4.845 -3.144 5.110 184 HB2 PHE 27 2HB PHE 27 6.705 -1.109 5.277 185 HB3 PHE 27 1HB PHE 27 7.610 -2.600 5.317 186 HD1 PHE 27 2HD PHE 27 4.481 -2.587 3.492 187 HD2 PHE 27 1HD PHE 27 8.665 -1.866 3.200 188 HE1 PHE 27 2HE PHE 27 4.356 -2.750 1.060 189 HE2 PHE 27 1HE PHE 27 8.533 -2.049 0.765 190 HZ PHE 27 HZ PHE 27 6.353 -2.488 -0.318 191 HA PRO 28 HA PRO 28 5.783 -6.595 7.964 192 HB2 PRO 28 2HB PRO 28 6.938 -7.486 5.296 193 HB3 PRO 28 1HB PRO 28 6.117 -8.493 6.483 194 HG2 PRO 28 2HG PRO 28 4.753 -7.618 4.469 195 HG3 PRO 28 1HG PRO 28 4.045 -7.443 6.078 196 HD2 PRO 28 2HD PRO 28 5.213 -5.401 4.280 197 HD3 PRO 28 1HD PRO 28 3.902 -5.267 5.446 198 H LYS 29 H LYS 29 7.877 -7.934 8.496 199 HA LYS 29 HA LYS 29 10.131 -6.096 8.540 200 HB2 LYS 29 2HB LYS 29 10.890 -8.483 9.817 201 HB3 LYS 29 1HB LYS 29 10.431 -6.966 10.573 202 HG2 LYS 29 2HG LYS 29 8.130 -7.694 10.719 203 HG3 LYS 29 1HG LYS 29 8.523 -9.182 9.854 204 HD2 LYS 29 2HD LYS 29 10.333 -9.211 11.908 205 HD3 LYS 29 1HD LYS 29 8.920 -8.478 12.668 206 HE2 LYS 29 2HE LYS 29 7.868 -10.437 12.756 207 HE3 LYS 29 1HE LYS 29 8.152 -10.730 11.042 208 HZ1 LYS 29 3HZ LYS 29 10.568 -11.225 12.027 209 HZ2 LYS 29 1HZ LYS 29 9.379 -12.416 11.850 210 HZ3 LYS 29 2HZ LYS 29 9.627 -11.685 13.354 211 H ASP 30 H ASP 30 9.113 -8.854 6.817 212 HA ASP 30 HA ASP 30 11.763 -9.710 6.024 213 HB2 ASP 30 2HB ASP 30 9.723 -10.723 4.290 214 HB3 ASP 30 1HB ASP 30 10.662 -11.618 5.474 215 H ALA 31 H ALA 31 12.929 -8.530 4.566 216 HA ALA 31 HA ALA 31 12.095 -6.393 3.172 217 HB1 ALA 31 1HB ALA 31 14.041 -7.105 1.525 218 HB2 ALA 31 2HB ALA 31 14.345 -8.285 2.804 219 HB3 ALA 31 3HB ALA 31 14.331 -6.566 3.171 220 H GLU 32 H GLU 32 12.419 -9.565 1.341 221 HA GLU 32 HA GLU 32 11.154 -8.618 -0.957 222 HB2 GLU 32 2HB GLU 32 12.225 -10.698 -1.090 223 HB3 GLU 32 1HB GLU 32 11.343 -11.421 0.198 224 HG2 GLU 32 2HG GLU 32 10.020 -10.576 -2.363 225 HG3 GLU 32 1HG GLU 32 10.814 -12.139 -2.187 226 H LEU 33 H LEU 33 9.259 -10.571 1.516 227 HA LEU 33 HA LEU 33 6.880 -10.266 0.338 228 HB2 LEU 33 2HB LEU 33 7.465 -11.070 2.746 229 HB3 LEU 33 1HB LEU 33 7.154 -9.422 3.212 230 HG LEU 33 HG LEU 33 4.972 -9.743 3.251 231 HD11 LEU 33 1HD1 LEU 33 5.164 -11.246 0.641 232 HD12 LEU 33 2HD1 LEU 33 4.827 -9.528 0.815 233 HD13 LEU 33 3HD1 LEU 33 3.672 -10.718 1.412 234 HD21 LEU 33 3HD2 LEU 33 5.372 -11.718 4.360 235 HD22 LEU 33 1HD2 LEU 33 5.909 -12.541 2.896 236 HD23 LEU 33 2HD2 LEU 33 4.204 -12.165 3.121 237 H ARG 34 H ARG 34 8.728 -7.797 1.875 238 HA ARG 34 HA ARG 34 6.856 -5.688 1.802 239 HB2 ARG 34 2HB ARG 34 8.500 -4.269 2.559 240 HB3 ARG 34 1HB ARG 34 9.140 -5.808 3.081 241 HG2 ARG 34 2HG ARG 34 11.015 -5.425 1.976 242 HG3 ARG 34 1HG ARG 34 10.146 -5.174 0.476 243 HD2 ARG 34 2HD ARG 34 10.656 -3.042 0.546 244 HD3 ARG 34 1HD ARG 34 9.782 -2.882 2.064 245 HE ARG 34 HE ARG 34 12.482 -3.905 2.273 246 HH11 ARG 34 1HH1 ARG 34 10.405 -1.101 2.404 247 HH12 ARG 34 2HH1 ARG 34 11.501 -0.181 3.378 248 HH21 ARG 34 1HH2 ARG 34 13.922 -2.696 3.559 249 HH22 ARG 34 2HH2 ARG 34 13.499 -1.083 4.031 250 H ARG 35 H ARG 35 9.553 -6.328 -0.379 251 HA ARG 35 HA ARG 35 8.866 -4.328 -2.159 252 HB2 ARG 35 2HB ARG 35 10.337 -5.261 -3.718 253 HB3 ARG 35 1HB ARG 35 11.014 -5.699 -2.165 254 HG2 ARG 35 2HG ARG 35 11.248 -7.549 -3.611 255 HG3 ARG 35 1HG ARG 35 9.999 -7.968 -2.454 256 HD2 ARG 35 2HD ARG 35 8.521 -8.292 -4.095 257 HD3 ARG 35 1HD ARG 35 8.845 -6.692 -4.763 258 HE ARG 35 HE ARG 35 9.931 -9.206 -5.664 259 HH11 ARG 35 1HH1 ARG 35 10.310 -5.735 -5.648 260 HH12 ARG 35 2HH1 ARG 35 11.281 -5.709 -7.080 261 HH21 ARG 35 1HH2 ARG 35 11.212 -9.172 -7.549 262 HH22 ARG 35 2HH2 ARG 35 11.794 -7.659 -8.159 263 H LEU 36 H LEU 36 7.519 -7.557 -1.654 264 HA LEU 36 HA LEU 36 6.069 -7.584 -4.142 265 HB2 LEU 36 2HB LEU 36 5.634 -8.897 -1.504 266 HB3 LEU 36 1HB LEU 36 4.344 -8.906 -2.680 267 HG LEU 36 HG LEU 36 7.107 -10.041 -3.083 268 HD11 LEU 36 1HD1 LEU 36 6.031 -12.195 -3.054 269 HD12 LEU 36 2HD1 LEU 36 4.449 -11.442 -2.851 270 HD13 LEU 36 3HD1 LEU 36 5.648 -11.334 -1.563 271 HD21 LEU 36 3HD2 LEU 36 6.719 -10.010 -5.268 272 HD22 LEU 36 1HD2 LEU 36 5.210 -9.142 -4.988 273 HD23 LEU 36 2HD2 LEU 36 5.218 -10.905 -5.032 274 H TRP 37 H TRP 37 5.174 -6.301 -0.974 275 HA TRP 37 HA TRP 37 2.646 -5.381 -1.768 276 HB2 TRP 37 2HB TRP 37 4.634 -4.454 0.286 277 HB3 TRP 37 1HB TRP 37 3.116 -3.597 0.024 278 HD1 TRP 37 HD TRP 37 3.369 -7.399 -0.147 279 HE1 TRP 37 1HE TRP 37 2.019 -8.378 1.851 280 HE3 TRP 37 3HE TRP 37 2.150 -3.057 2.249 281 HZ2 TRP 37 2HZ TRP 37 0.584 -7.382 4.107 282 HZ3 TRP 37 3HZ TRP 37 0.851 -3.161 4.299 283 HH2 TRP 37 HH TRP 37 0.069 -5.265 5.175 284 H LEU 38 H LEU 38 5.960 -3.927 -2.004 285 HA LEU 38 HA LEU 38 5.475 -1.367 -2.692 286 HB2 LEU 38 2HB LEU 38 7.346 -3.325 -4.046 287 HB3 LEU 38 1HB LEU 38 7.327 -1.625 -4.388 288 HG LEU 38 HG LEU 38 7.944 -2.903 -1.744 289 HD11 LEU 38 1HD1 LEU 38 9.744 -1.090 -3.296 290 HD12 LEU 38 2HD1 LEU 38 9.650 -2.806 -3.699 291 HD13 LEU 38 3HD1 LEU 38 10.150 -2.305 -2.082 292 HD21 LEU 38 3HD2 LEU 38 6.716 -0.910 -1.290 293 HD22 LEU 38 1HD2 LEU 38 7.635 -0.007 -2.492 294 HD23 LEU 38 2HD2 LEU 38 8.423 -0.568 -1.015 295 H LYS 39 H LYS 39 5.195 -4.253 -4.895 296 HA LYS 39 HA LYS 39 4.309 -3.036 -7.156 297 HB2 LYS 39 2HB LYS 39 4.169 -5.682 -5.878 298 HB3 LYS 39 1HB LYS 39 2.975 -5.419 -7.129 299 HG2 LYS 39 2HG LYS 39 5.194 -6.524 -7.705 300 HG3 LYS 39 1HG LYS 39 4.613 -5.241 -8.777 301 HD2 LYS 39 2HD LYS 39 6.112 -3.824 -6.996 302 HD3 LYS 39 1HD LYS 39 6.981 -5.356 -7.031 303 HE2 LYS 39 2HE LYS 39 6.175 -4.282 -9.652 304 HE3 LYS 39 1HE LYS 39 7.389 -3.344 -8.782 305 HZ1 LYS 39 3HZ LYS 39 7.578 -6.011 -9.940 306 HZ2 LYS 39 1HZ LYS 39 8.395 -5.764 -8.479 307 HZ3 LYS 39 2HZ LYS 39 8.751 -4.797 -9.822 308 H ASN 40 H ASN 40 2.116 -4.481 -4.747 309 HA ASN 40 HA ASN 40 -0.204 -3.643 -6.018 310 HB2 ASN 40 2HB ASN 40 -0.954 -3.870 -3.376 311 HB3 ASN 40 1HB ASN 40 -0.973 -5.146 -4.576 312 HD21 ASN 40 1HD2 ASN 40 -0.552 -4.938 -1.626 313 HD22 ASN 40 2HD2 ASN 40 0.876 -5.851 -1.339 314 H VAL 41 H VAL 41 1.783 -1.886 -3.771 315 HA VAL 41 HA VAL 41 -0.360 -0.054 -3.234 316 HB VAL 41 HB VAL 41 1.437 -0.574 -1.546 317 HG11 VAL 41 1HG1 VAL 41 3.270 -0.108 -3.146 318 HG12 VAL 41 2HG1 VAL 41 3.413 0.750 -1.616 319 HG13 VAL 41 3HG1 VAL 41 2.852 1.592 -3.062 320 HG21 VAL 41 3HG2 VAL 41 -0.340 1.417 -1.814 321 HG22 VAL 41 1HG2 VAL 41 1.152 2.363 -1.826 322 HG23 VAL 41 2HG2 VAL 41 0.787 1.322 -0.454 323 H SER 42 H SER 42 2.069 -0.119 -5.743 324 HA SER 42 HA SER 42 1.198 1.797 -7.337 325 HB2 SER 42 2HB SER 42 0.780 3.737 -6.203 326 HB3 SER 42 1HB SER 42 1.731 3.261 -4.779 327 HG SER 42 HG SER 42 2.622 4.483 -7.189 328 H ARG 43 H ARG 43 4.321 2.827 -5.690 329 HA ARG 43 HA ARG 43 6.387 2.928 -6.586 330 HB2 ARG 43 2HB ARG 43 7.348 0.770 -7.277 331 HB3 ARG 43 1HB ARG 43 6.447 0.669 -5.775 332 HG2 ARG 43 2HG ARG 43 5.938 -1.273 -6.995 333 HG3 ARG 43 1HG ARG 43 4.519 -0.242 -7.126 334 HD2 ARG 43 2HD ARG 43 5.053 0.360 -9.357 335 HD3 ARG 43 1HD ARG 43 6.684 -0.291 -9.213 336 HE ARG 43 HE ARG 43 5.858 -2.330 -9.795 337 HH11 ARG 43 1HH1 ARG 43 3.209 -0.369 -8.656 338 HH12 ARG 43 2HH1 ARG 43 2.001 -1.539 -9.063 339 HH21 ARG 43 1HH2 ARG 43 4.273 -3.874 -10.329 340 HH22 ARG 43 2HH2 ARG 43 2.605 -3.530 -10.013 341 H ALA 44 H ALA 44 4.393 3.930 -8.377 342 HA ALA 44 HA ALA 44 4.723 3.045 -11.030 343 HB1 ALA 44 1HB ALA 44 4.171 5.652 -11.397 344 HB2 ALA 44 2HB ALA 44 3.723 5.497 -9.698 345 HB3 ALA 44 3HB ALA 44 2.957 4.469 -10.909 346 H GLY 45 H GLY 45 7.309 2.664 -10.730 347 HA2 GLY 45 2HA GLY 45 8.632 4.666 -12.259 348 HA3 GLY 45 1HA GLY 45 9.045 4.805 -10.577 349 H VAL 46 H VAL 46 9.196 2.529 -13.306 350 HA VAL 46 HA VAL 46 10.790 0.680 -11.804 351 HB VAL 46 HB VAL 46 10.955 0.436 -14.720 352 HG11 VAL 46 1HG1 VAL 46 10.051 -1.857 -14.023 353 HG12 VAL 46 2HG1 VAL 46 10.277 -1.277 -12.371 354 HG13 VAL 46 3HG1 VAL 46 11.656 -1.378 -13.466 355 HG21 VAL 46 3HG2 VAL 46 8.284 0.545 -13.355 356 HG22 VAL 46 1HG2 VAL 46 8.549 -0.425 -14.805 357 HG23 VAL 46 2HG2 VAL 46 8.794 1.322 -14.854 358 H SER 47 H SER 47 12.067 3.105 -11.589 359 HA SER 47 HA SER 47 14.690 2.452 -12.378 360 HB2 SER 47 2HB SER 47 15.075 3.658 -14.315 361 HB3 SER 47 1HB SER 47 13.396 3.181 -14.594 362 HG SER 47 HG SER 47 14.376 5.685 -13.690 363 H GLY 48 H GLY 48 12.669 5.601 -12.173 364 HA2 GLY 48 2HA GLY 48 13.962 7.521 -11.228 365 HA3 GLY 48 1HA GLY 48 12.754 6.889 -10.128 366 H CYS 49 H CYS 49 16.022 7.613 -10.581 367 HA CYS 49 HA CYS 49 16.779 6.107 -8.167 368 HB2 CYS 49 2HB CYS 49 19.103 6.321 -8.929 369 HB3 CYS 49 1HB CYS 49 18.106 5.533 -10.147 370 HG CYS 49 HG CYS 49 18.828 8.539 -10.456 371 H PHE 50 H PHE 50 15.340 8.601 -8.108 372 HA PHE 50 HA PHE 50 17.374 10.266 -6.744 373 HB2 PHE 50 2HB PHE 50 14.954 11.421 -8.159 374 HB3 PHE 50 1HB PHE 50 16.391 12.260 -7.582 375 HD1 PHE 50 1HD PHE 50 15.310 9.681 -10.034 376 HD2 PHE 50 2HD PHE 50 18.114 12.726 -9.049 377 HE1 PHE 50 1HE PHE 50 16.323 9.464 -12.265 378 HE2 PHE 50 2HE PHE 50 19.133 12.514 -11.279 379 HZ PHE 50 HZ PHE 50 18.237 10.880 -12.890 380 H SER 51 H SER 51 13.706 10.103 -7.067 381 HA SER 51 HA SER 51 13.565 9.717 -4.184 382 HB2 SER 51 2HB SER 51 11.619 11.652 -4.565 383 HB3 SER 51 1HB SER 51 13.182 11.899 -3.789 384 HG SER 51 HG SER 51 13.985 12.730 -5.639 385 H THR 52 H THR 52 11.013 10.893 -6.335 386 HA THR 52 HA THR 52 8.956 10.009 -6.807 387 HB THR 52 HB THR 52 9.024 7.931 -8.032 388 HG1 THR 52 1HG THR 52 10.938 6.664 -8.001 389 HG21 THR 52 3HG2 THR 52 11.040 9.968 -8.491 390 HG22 THR 52 1HG2 THR 52 9.958 9.160 -9.625 391 HG23 THR 52 2HG2 THR 52 11.477 8.396 -9.160 392 H PHE 53 H PHE 53 9.024 10.111 -4.171 393 HA PHE 53 HA PHE 53 8.402 9.190 -2.185 394 HB2 PHE 53 2HB PHE 53 6.408 7.721 -2.311 395 HB3 PHE 53 1HB PHE 53 6.237 9.174 -3.289 396 HD1 PHE 53 1HD PHE 53 7.109 5.564 -3.499 397 HD2 PHE 53 2HD PHE 53 5.674 9.012 -5.537 398 HE1 PHE 53 1HE PHE 53 6.554 4.177 -5.436 399 HE2 PHE 53 2HE PHE 53 5.113 7.623 -7.489 400 HZ PHE 53 HZ PHE 53 5.551 5.198 -7.437 401 H GLN 54 H GLN 54 10.705 7.989 -3.418 402 HA GLN 54 HA GLN 54 11.307 5.516 -3.720 403 HB2 GLN 54 2HB GLN 54 12.507 7.555 -2.076 404 HB3 GLN 54 1HB GLN 54 12.831 5.964 -1.404 405 HG2 GLN 54 2HG GLN 54 13.585 5.295 -3.730 406 HG3 GLN 54 1HG GLN 54 13.546 7.014 -4.120 407 HE21 GLN 54 1HE2 GLN 54 15.340 8.118 -3.786 408 HE22 GLN 54 2HE2 GLN 54 16.650 7.645 -2.763 409 HA PRO 55 HA PRO 55 9.113 2.920 -0.846 410 HB2 PRO 55 2HB PRO 55 10.883 0.725 -1.522 411 HB3 PRO 55 1HB PRO 55 9.183 0.949 -1.914 412 HG2 PRO 55 2HG PRO 55 11.190 1.055 -3.769 413 HG3 PRO 55 1HG PRO 55 9.627 1.866 -3.950 414 HD2 PRO 55 2HD PRO 55 12.276 2.997 -3.186 415 HD3 PRO 55 1HD PRO 55 10.965 3.723 -4.139 416 H THR 56 H THR 56 12.578 3.320 -0.836 417 HA THR 56 HA THR 56 13.405 1.803 1.317 418 HB THR 56 HB THR 56 14.381 4.622 1.274 419 HG1 THR 56 1HG THR 56 14.651 2.882 -0.948 420 HG21 THR 56 3HG2 THR 56 15.886 2.050 0.897 421 HG22 THR 56 1HG2 THR 56 15.515 2.743 2.475 422 HG23 THR 56 2HG2 THR 56 16.530 3.631 1.340 423 H THR 57 H THR 57 11.771 5.078 1.386 424 HA THR 57 HA THR 57 11.865 5.489 4.130 425 HB THR 57 HB THR 57 11.096 7.178 2.523 426 HG1 THR 57 1HG THR 57 9.184 6.478 4.493 427 HG21 THR 57 3HG2 THR 57 9.392 5.190 1.567 428 HG22 THR 57 1HG2 THR 57 9.473 6.875 1.053 429 HG23 THR 57 2HG2 THR 57 8.345 6.392 2.318 430 H GLY 58 H GLY 58 9.988 3.241 2.271 431 HA2 GLY 58 2HA GLY 58 9.100 1.295 3.419 432 HA3 GLY 58 1HA GLY 58 8.747 2.337 4.772 433 H HIS 59 H HIS 59 7.365 1.230 1.607 434 HA HIS 59 HA HIS 59 5.276 3.193 1.821 435 HB2 HIS 59 2HB HIS 59 6.079 1.226 -0.164 436 HB3 HIS 59 1HB HIS 59 4.337 1.220 0.088 437 HD1 HIS 59 1HD HIS 59 6.878 4.019 -0.135 438 HD2 HIS 59 2HD HIS 59 3.263 2.837 -1.867 439 HE1 HIS 59 1HE HIS 59 6.293 5.825 -1.764 440 HE2 HIS 59 2HE HIS 59 4.143 5.068 -2.845 441 H ARG 60 H ARG 60 3.256 2.909 2.436 442 HA ARG 60 HA ARG 60 2.654 0.563 4.117 443 HB2 ARG 60 2HB ARG 60 1.270 2.141 5.397 444 HB3 ARG 60 1HB ARG 60 2.893 2.771 5.232 445 HG2 ARG 60 2HG ARG 60 1.733 3.877 3.071 446 HG3 ARG 60 1HG ARG 60 0.364 3.793 4.174 447 HD2 ARG 60 2HD ARG 60 2.897 5.347 4.396 448 HD3 ARG 60 1HD ARG 60 1.240 5.850 4.709 449 HE ARG 60 HE ARG 60 1.368 4.902 6.850 450 HH11 ARG 60 1HH1 ARG 60 4.357 4.513 5.082 451 HH12 ARG 60 2HH1 ARG 60 5.291 4.168 6.498 452 HH21 ARG 60 1HH2 ARG 60 2.598 4.453 8.709 453 HH22 ARG 60 2HH2 ARG 60 4.293 4.133 8.556 454 H LEU 61 H LEU 61 0.080 0.148 4.170 455 HA LEU 61 HA LEU 61 -0.909 0.777 1.463 456 HB2 LEU 61 2HB LEU 61 -0.735 -1.818 2.634 457 HB3 LEU 61 1HB LEU 61 -2.425 -1.448 2.515 458 HG LEU 61 HG LEU 61 -2.447 -1.628 0.243 459 HD11 LEU 61 1HD1 LEU 61 -0.391 -1.057 -1.118 460 HD12 LEU 61 2HD1 LEU 61 0.262 -0.415 0.390 461 HD13 LEU 61 3HD1 LEU 61 -1.225 0.263 -0.294 462 HD21 LEU 61 3HD2 LEU 61 -1.284 -3.435 -0.522 463 HD22 LEU 61 1HD2 LEU 61 -1.002 -3.653 1.193 464 HD23 LEU 61 2HD2 LEU 61 0.234 -2.909 0.195 465 H CYS 62 H CYS 62 -3.438 1.134 1.382 466 HA CYS 62 HA CYS 62 -4.141 2.325 3.936 467 HB2 CYS 62 2HB CYS 62 -4.416 4.246 2.888 468 HB3 CYS 62 1HB CYS 62 -3.679 3.461 1.511 469 H SER 63 H SER 63 -6.500 2.994 4.026 470 HA SER 63 HA SER 63 -8.059 1.562 5.250 471 HB2 SER 63 2HB SER 63 -8.664 3.575 3.280 472 HB3 SER 63 1HB SER 63 -9.956 2.379 3.337 473 HG SER 63 HG SER 63 -10.536 3.163 5.183 474 H VAL 64 H VAL 64 -8.730 1.227 1.836 475 HA VAL 64 HA VAL 64 -10.056 -1.282 2.515 476 HB VAL 64 HB VAL 64 -10.824 -1.107 0.026 477 HG11 VAL 64 1HG1 VAL 64 -12.127 -0.815 2.189 478 HG12 VAL 64 2HG1 VAL 64 -12.757 0.022 0.770 479 HG13 VAL 64 3HG1 VAL 64 -11.857 0.919 1.995 480 HG21 VAL 64 3HG2 VAL 64 -10.616 1.803 0.433 481 HG22 VAL 64 1HG2 VAL 64 -10.560 0.851 -1.050 482 HG23 VAL 64 2HG2 VAL 64 -9.128 0.977 -0.027 483 H HIS 65 H HIS 65 -6.963 -0.728 1.406 484 HA HIS 65 HA HIS 65 -6.800 -2.718 -0.613 485 HB2 HIS 65 2HB HIS 65 -4.594 -1.858 1.286 486 HB3 HIS 65 1HB HIS 65 -4.381 -2.680 -0.253 487 HD1 HIS 65 1HD HIS 65 -3.799 -1.124 -2.143 488 HD2 HIS 65 2HD HIS 65 -5.962 0.722 0.834 489 HE1 HIS 65 1HE HIS 65 -4.158 1.234 -2.930 490 H PHE 66 H PHE 66 -7.371 -3.004 2.738 491 HA PHE 66 HA PHE 66 -6.403 -5.768 2.791 492 HB2 PHE 66 2HB PHE 66 -7.194 -3.875 5.016 493 HB3 PHE 66 1HB PHE 66 -6.708 -5.529 5.293 494 HD1 PHE 66 1HD PHE 66 -4.440 -6.227 5.012 495 HD2 PHE 66 2HD PHE 66 -5.580 -2.166 4.462 496 HE1 PHE 66 1HE PHE 66 -2.091 -5.553 5.214 497 HE2 PHE 66 2HE PHE 66 -3.218 -1.486 4.651 498 HZ PHE 66 HZ PHE 66 -1.483 -3.195 5.041 499 H GLN 67 H GLN 67 -7.955 -7.379 4.124 500 HA GLN 67 HA GLN 67 -10.726 -6.822 3.363 501 HB2 GLN 67 2HB GLN 67 -9.474 -8.916 2.637 502 HB3 GLN 67 1HB GLN 67 -9.566 -9.437 4.308 503 HG2 GLN 67 2HG GLN 67 -11.641 -10.152 4.044 504 HG3 GLN 67 1HG GLN 67 -12.152 -8.605 3.372 505 HE21 GLN 67 1HE2 GLN 67 -11.001 -8.347 1.052 506 HE22 GLN 67 2HE2 GLN 67 -11.349 -9.661 -0.015 507 H GLY 68 H GLY 68 -11.752 -5.765 5.465 508 HA2 GLY 68 2HA GLY 68 -12.446 -5.801 7.630 509 HA3 GLY 68 1HA GLY 68 -11.926 -7.471 7.727 510 H GLY 69 H GLY 69 -9.375 -7.716 7.976 511 HA2 GLY 69 2HA GLY 69 -7.727 -5.673 8.820 512 HA3 GLY 69 1HA GLY 69 -8.627 -6.155 10.251 513 H ARG 70 H ARG 70 -5.802 -6.370 9.968 514 HA ARG 70 HA ARG 70 -4.048 -7.848 10.098 515 HB2 ARG 70 2HB ARG 70 -5.672 -8.293 12.133 516 HB3 ARG 70 1HB ARG 70 -5.906 -9.837 11.328 517 HG2 ARG 70 2HG ARG 70 -3.838 -10.578 11.842 518 HG3 ARG 70 1HG ARG 70 -3.109 -8.978 11.688 519 HD2 ARG 70 2HD ARG 70 -4.790 -9.953 13.996 520 HD3 ARG 70 1HD ARG 70 -3.038 -9.764 13.999 521 HE ARG 70 HE ARG 70 -5.008 -7.692 14.294 522 HH11 ARG 70 1HH1 ARG 70 -1.726 -8.401 13.342 523 HH12 ARG 70 2HH1 ARG 70 -1.158 -6.795 13.653 524 HH21 ARG 70 1HH2 ARG 70 -4.263 -5.580 14.702 525 HH22 ARG 70 2HH2 ARG 70 -2.596 -5.194 14.427 526 H LYS 71 H LYS 71 -5.082 -7.918 7.622 527 HA LYS 71 HA LYS 71 -6.174 -10.085 6.501 528 HB2 LYS 71 2HB LYS 71 -5.562 -9.116 4.558 529 HB3 LYS 71 1HB LYS 71 -4.919 -7.857 5.578 530 HG2 LYS 71 2HG LYS 71 -3.120 -10.119 4.871 531 HG3 LYS 71 1HG LYS 71 -3.515 -8.962 3.620 532 HD2 LYS 71 2HD LYS 71 -1.435 -8.697 5.302 533 HD3 LYS 71 1HD LYS 71 -2.239 -7.347 4.512 534 HE2 LYS 71 2HE LYS 71 -3.596 -6.990 6.521 535 HE3 LYS 71 1HE LYS 71 -2.816 -8.360 7.288 536 HZ1 LYS 71 3HZ LYS 71 -0.826 -6.623 6.389 537 HZ2 LYS 71 1HZ LYS 71 -1.220 -7.032 7.983 538 HZ3 LYS 71 2HZ LYS 71 -1.967 -5.709 7.239 539 H THR 72 H THR 72 -2.802 -9.842 7.410 540 HA THR 72 HA THR 72 -1.291 -11.667 6.517 541 HB THR 72 HB THR 72 -0.578 -12.405 8.787 542 HG1 THR 72 1HG THR 72 -2.725 -10.794 9.693 543 HG21 THR 72 3HG2 THR 72 -0.749 -9.761 9.603 544 HG22 THR 72 1HG2 THR 72 -0.739 -9.691 7.839 545 HG23 THR 72 2HG2 THR 72 0.564 -10.515 8.697 546 H TYR 73 H TYR 73 -3.812 -12.879 8.769 547 HA TYR 73 HA TYR 73 -3.296 -15.585 7.908 548 HB2 TYR 73 2HB TYR 73 -5.301 -16.073 9.442 549 HB3 TYR 73 1HB TYR 73 -3.824 -15.471 10.179 550 HD1 TYR 73 1HD TYR 73 -6.459 -13.518 8.398 551 HD2 TYR 73 2HD TYR 73 -4.595 -14.426 12.113 552 HE1 TYR 73 1HE TYR 73 -7.747 -11.727 9.475 553 HE2 TYR 73 2HE TYR 73 -5.878 -12.635 13.200 554 HH TYR 73 HH TYR 73 -8.488 -11.022 11.619 555 H THR 74 H THR 74 -3.988 -14.320 5.642 556 HA THR 74 HA THR 74 -6.040 -15.825 4.563 557 HB THR 74 HB THR 74 -7.467 -13.448 4.286 558 HG1 THR 74 1HG THR 74 -7.831 -12.810 6.442 559 HG21 THR 74 3HG2 THR 74 -8.384 -15.209 6.452 560 HG22 THR 74 1HG2 THR 74 -8.097 -15.992 4.898 561 HG23 THR 74 2HG2 THR 74 -9.223 -14.639 5.009 562 H VAL 75 H VAL 75 -4.949 -12.458 4.463 563 HA VAL 75 HA VAL 75 -4.615 -12.687 1.553 564 HB VAL 75 HB VAL 75 -4.424 -10.055 2.937 565 HG11 VAL 75 1HG1 VAL 75 -6.160 -10.146 0.659 566 HG12 VAL 75 2HG1 VAL 75 -4.661 -10.993 0.286 567 HG13 VAL 75 3HG1 VAL 75 -4.612 -9.321 0.844 568 HG21 VAL 75 3HG2 VAL 75 -7.127 -11.230 2.326 569 HG22 VAL 75 1HG2 VAL 75 -6.744 -9.731 3.175 570 HG23 VAL 75 2HG2 VAL 75 -6.412 -11.288 3.934 571 H ARG 76 H ARG 76 -2.557 -12.720 0.722 572 HA ARG 76 HA ARG 76 -0.343 -12.362 2.521 573 HB2 ARG 76 2HB ARG 76 -0.336 -14.091 0.732 574 HB3 ARG 76 1HB ARG 76 -0.305 -12.811 -0.472 575 HG2 ARG 76 2HG ARG 76 1.823 -12.122 1.050 576 HG3 ARG 76 1HG ARG 76 1.849 -13.879 1.207 577 HD2 ARG 76 2HD ARG 76 1.387 -13.515 -1.475 578 HD3 ARG 76 1HD ARG 76 2.481 -12.189 -1.087 579 HE ARG 76 HE ARG 76 3.481 -14.559 0.036 580 HH11 ARG 76 1HH1 ARG 76 2.987 -13.071 -3.081 581 HH12 ARG 76 2HH1 ARG 76 4.309 -13.903 -3.829 582 HH21 ARG 76 1HH2 ARG 76 5.222 -15.657 -0.947 583 HH22 ARG 76 2HH2 ARG 76 5.576 -15.371 -2.618 584 H VAL 77 H VAL 77 -1.761 -10.581 -0.186 585 HA VAL 77 HA VAL 77 -0.243 -8.226 0.663 586 HB VAL 77 HB VAL 77 0.535 -7.699 -1.497 587 HG11 VAL 77 1HG1 VAL 77 1.632 -9.717 -2.359 588 HG12 VAL 77 2HG1 VAL 77 0.599 -10.708 -1.328 589 HG13 VAL 77 3HG1 VAL 77 1.756 -9.596 -0.604 590 HG21 VAL 77 3HG2 VAL 77 -1.182 -7.820 -2.979 591 HG22 VAL 77 1HG2 VAL 77 -1.720 -9.399 -2.411 592 HG23 VAL 77 2HG2 VAL 77 -0.301 -9.269 -3.448 593 HA PRO 78 HA PRO 78 -4.414 -6.552 0.740 594 HB2 PRO 78 2HB PRO 78 -2.871 -4.018 0.658 595 HB3 PRO 78 1HB PRO 78 -4.189 -4.487 1.723 596 HG2 PRO 78 2HG PRO 78 -1.755 -4.513 2.680 597 HG3 PRO 78 1HG PRO 78 -2.782 -5.935 2.966 598 HD2 PRO 78 2HD PRO 78 -0.639 -5.557 0.885 599 HD3 PRO 78 1HD PRO 78 -0.888 -6.904 2.021 600 H THR 79 H THR 79 -4.212 -7.298 -1.855 601 HA THR 79 HA THR 79 -4.832 -4.645 -2.961 602 HB THR 79 HB THR 79 -4.333 -6.490 -5.102 603 HG1 THR 79 1HG THR 79 -2.156 -6.197 -3.318 604 HG21 THR 79 3HG2 THR 79 -2.823 -4.060 -4.170 605 HG22 THR 79 1HG2 THR 79 -4.089 -4.121 -5.398 606 HG23 THR 79 2HG2 THR 79 -2.539 -4.907 -5.690 607 H ILE 80 H ILE 80 -6.839 -4.482 -2.836 608 HA ILE 80 HA ILE 80 -8.569 -6.546 -4.066 609 HB ILE 80 HB ILE 80 -8.983 -4.913 -1.575 610 HG12 ILE 80 2HG1 ILE 80 -8.201 -7.437 -1.827 611 HG13 ILE 80 1HG1 ILE 80 -9.244 -6.919 -0.506 612 HG21 ILE 80 1HG2 ILE 80 -11.428 -5.835 -1.770 613 HG22 ILE 80 2HG2 ILE 80 -11.085 -5.779 -3.499 614 HG23 ILE 80 3HG2 ILE 80 -10.973 -4.310 -2.530 615 HD11 ILE 80 3HD1 ILE 80 -10.577 -7.815 -2.980 616 HD12 ILE 80 1HD1 ILE 80 -11.026 -8.054 -1.291 617 HD13 ILE 80 2HD1 ILE 80 -9.758 -9.044 -2.017 618 H PHE 81 H PHE 81 -8.694 -5.466 -6.144 619 HA PHE 81 HA PHE 81 -10.465 -3.250 -6.249 620 HB2 PHE 81 2HB PHE 81 -7.922 -2.331 -7.477 621 HB3 PHE 81 1HB PHE 81 -9.166 -1.405 -6.657 622 HD1 PHE 81 1HD PHE 81 -9.212 -1.614 -4.050 623 HD2 PHE 81 2HD PHE 81 -5.858 -2.635 -6.465 624 HE1 PHE 81 1HE PHE 81 -7.761 -1.511 -2.070 625 HE2 PHE 81 2HE PHE 81 -4.391 -2.487 -4.488 626 HZ PHE 81 HZ PHE 81 -5.361 -2.010 -2.262
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