NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534630 | 2lq3 | 18290 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -11.941 -25.470 7.622 2 H2 MET 1 H2 MET 1 -10.394 -24.799 7.569 3 H3 MET 1 H3 MET 1 -11.586 -24.086 8.529 4 HA MET 1 HA MET 1 -10.067 -25.285 9.908 5 HB2 MET 1 HB2 MET 1 -12.767 -26.678 9.647 6 HB3 MET 1 HB3 MET 1 -11.689 -26.854 11.025 7 HG2 MET 1 HG2 MET 1 -11.918 -24.451 11.509 8 HG3 MET 1 HG3 MET 1 -13.029 -24.292 10.141 9 HE1 MET 1 HE1 MET 1 -13.764 -23.348 13.140 10 HE2 MET 1 HE2 MET 1 -15.409 -23.968 13.291 11 HE3 MET 1 HE3 MET 1 -14.890 -23.195 11.792 12 H GLY 2 H GLY 2 -9.882 -27.771 10.748 13 HA2 GLY 2 HA2 GLY 2 -9.036 -29.893 10.321 14 HA3 GLY 2 HA3 GLY 2 -9.265 -29.639 8.596 15 H GLN 3 H GLN 3 -7.243 -30.077 7.762 16 HA GLN 3 HA GLN 3 -4.841 -28.892 8.985 17 HB2 GLN 3 HB2 GLN 3 -5.159 -30.863 6.683 18 HB3 GLN 3 HB3 GLN 3 -3.611 -30.207 7.192 19 HG2 GLN 3 HG2 GLN 3 -3.797 -32.387 8.140 20 HG3 GLN 3 HG3 GLN 3 -3.978 -31.232 9.455 21 HE21 GLN 3 HE21 GLN 3 -5.656 -33.543 7.422 22 HE22 GLN 3 HE22 GLN 3 -7.028 -33.738 8.446 23 H GLY 4 H GLY 4 -3.416 -27.510 7.843 24 HA2 GLY 4 HA2 GLY 4 -4.253 -26.320 5.273 25 HA3 GLY 4 HA3 GLY 4 -4.109 -25.259 6.669 26 H GLN 5 H GLN 5 -2.559 -25.121 4.192 27 HA GLN 5 HA GLN 5 0.114 -26.115 4.866 28 HB2 GLN 5 HB2 GLN 5 -0.776 -26.368 2.549 29 HB3 GLN 5 HB3 GLN 5 -0.827 -24.615 2.388 30 HG2 GLN 5 HG2 GLN 5 1.607 -24.481 2.582 31 HG3 GLN 5 HG3 GLN 5 1.709 -26.215 2.891 32 HE21 GLN 5 HE21 GLN 5 1.297 -27.660 1.145 33 HE22 GLN 5 HE22 GLN 5 1.409 -27.138 -0.492 34 H ASN 6 H ASN 6 1.835 -24.854 5.426 35 HA ASN 6 HA ASN 6 1.336 -22.035 6.151 36 HB2 ASN 6 HB2 ASN 6 3.266 -22.305 7.684 37 HB3 ASN 6 HB3 ASN 6 2.009 -23.492 7.996 38 HD21 ASN 6 HD21 ASN 6 4.828 -23.573 8.706 39 HD22 ASN 6 HD22 ASN 6 5.461 -25.017 7.998 40 H VAL 7 H VAL 7 3.198 -20.504 5.961 41 HA VAL 7 HA VAL 7 4.144 -20.339 3.261 42 HB VAL 7 HB VAL 7 5.003 -18.196 3.764 43 HG11 VAL 7 HG11 VAL 7 2.824 -18.652 5.820 44 HG12 VAL 7 HG12 VAL 7 2.579 -18.270 4.110 45 HG13 VAL 7 HG13 VAL 7 3.321 -17.080 5.182 46 HG21 VAL 7 HG21 VAL 7 6.606 -18.734 5.559 47 HG22 VAL 7 HG22 VAL 7 5.289 -18.957 6.709 48 HG23 VAL 7 HG23 VAL 7 5.611 -17.355 6.041 49 H LEU 8 H LEU 8 5.435 -21.615 6.149 50 HA LEU 8 HA LEU 8 8.232 -21.641 5.448 51 HB2 LEU 8 HB2 LEU 8 6.770 -23.092 7.674 52 HB3 LEU 8 HB3 LEU 8 8.489 -22.797 7.552 53 HG LEU 8 HG LEU 8 6.387 -20.641 7.934 54 HD11 LEU 8 HD11 LEU 8 8.385 -21.773 9.901 55 HD12 LEU 8 HD12 LEU 8 6.640 -22.042 9.907 56 HD13 LEU 8 HD13 LEU 8 7.280 -20.426 10.194 57 HD21 LEU 8 HD21 LEU 8 9.424 -20.394 7.897 58 HD22 LEU 8 HD22 LEU 8 8.292 -19.106 8.321 59 HD23 LEU 8 HD23 LEU 8 8.306 -19.758 6.686 60 H GLY 9 H GLY 9 5.497 -23.701 4.932 61 HA2 GLY 9 HA2 GLY 9 6.624 -26.283 4.924 62 HA3 GLY 9 HA3 GLY 9 5.141 -25.807 4.126 63 H GLN 10 H GLN 10 5.495 -24.587 1.941 64 HA GLN 10 HA GLN 10 7.857 -25.362 0.451 65 HB2 GLN 10 HB2 GLN 10 6.728 -26.810 -1.158 66 HB3 GLN 10 HB3 GLN 10 6.521 -27.472 0.461 67 HG2 GLN 10 HG2 GLN 10 4.219 -26.702 0.555 68 HG3 GLN 10 HG3 GLN 10 4.409 -25.810 -0.953 69 HE21 GLN 10 HE21 GLN 10 2.705 -26.891 -1.962 70 HE22 GLN 10 HE22 GLN 10 2.813 -28.545 -2.456 71 H ASP 11 H ASP 11 8.090 -24.227 -1.436 72 HA ASP 11 HA ASP 11 7.723 -23.042 -3.300 73 HB2 ASP 11 HB2 ASP 11 5.598 -24.668 -3.241 74 HB3 ASP 11 HB3 ASP 11 4.714 -23.166 -3.037 75 H LEU 12 H LEU 12 7.288 -20.947 -4.103 76 HA LEU 12 HA LEU 12 5.609 -19.000 -2.855 77 HB2 LEU 12 HB2 LEU 12 7.652 -19.185 -1.252 78 HB3 LEU 12 HB3 LEU 12 8.590 -18.431 -2.528 79 HG LEU 12 HG LEU 12 7.113 -16.408 -2.381 80 HD11 LEU 12 HD11 LEU 12 5.827 -17.816 -0.024 81 HD12 LEU 12 HD12 LEU 12 5.056 -17.443 -1.568 82 HD13 LEU 12 HD13 LEU 12 5.557 -16.137 -0.499 83 HD21 LEU 12 HD21 LEU 12 8.411 -17.194 0.250 84 HD22 LEU 12 HD22 LEU 12 7.991 -15.552 -0.247 85 HD23 LEU 12 HD23 LEU 12 9.220 -16.451 -1.134 86 H GLU 13 H GLU 13 6.383 -20.189 -5.505 87 HA GLU 13 HA GLU 13 7.618 -18.033 -7.055 88 HB2 GLU 13 HB2 GLU 13 6.498 -20.705 -8.021 89 HB3 GLU 13 HB3 GLU 13 7.479 -19.580 -8.963 90 HG2 GLU 13 HG2 GLU 13 9.353 -19.953 -7.342 91 HG3 GLU 13 HG3 GLU 13 8.365 -21.178 -6.544 92 H VAL 14 H VAL 14 6.616 -16.960 -8.810 93 HA VAL 14 HA VAL 14 3.706 -16.612 -8.609 94 HB VAL 14 HB VAL 14 5.307 -14.633 -8.632 95 HG11 VAL 14 HG11 VAL 14 6.212 -13.815 -10.780 96 HG12 VAL 14 HG12 VAL 14 5.634 -15.275 -11.584 97 HG13 VAL 14 HG13 VAL 14 6.895 -15.391 -10.353 98 HG21 VAL 14 HG21 VAL 14 3.169 -14.637 -10.791 99 HG22 VAL 14 HG22 VAL 14 3.877 -13.197 -10.054 100 HG23 VAL 14 HG23 VAL 14 2.917 -14.307 -9.075 101 H CYS 15 H CYS 15 2.285 -16.820 -10.459 102 HA CYS 15 HA CYS 15 3.118 -18.063 -12.928 103 HB2 CYS 15 HB2 CYS 15 3.424 -20.036 -11.535 104 HB3 CYS 15 HB3 CYS 15 1.846 -19.808 -10.785 105 HG CYS 15 HG CYS 15 0.426 -20.388 -13.158 106 H CYS 16 H CYS 16 1.821 -16.267 -13.607 107 HA CYS 16 HA CYS 16 0.063 -15.395 -14.745 108 HB2 CYS 16 HB2 CYS 16 0.215 -17.630 -15.830 109 HB3 CYS 16 HB3 CYS 16 -1.003 -18.240 -14.716 110 HG CYS 16 HG CYS 16 -3.095 -16.805 -15.722 111 H CYS 17 H CYS 17 -0.386 -15.890 -11.633 112 HA CYS 17 HA CYS 17 -1.963 -15.813 -10.010 113 HB2 CYS 17 HB2 CYS 17 -2.432 -13.599 -11.081 114 HB3 CYS 17 HB3 CYS 17 -3.686 -14.357 -12.054 115 HG CYS 17 HG CYS 17 -5.533 -13.785 -10.371 116 H ALA 18 H ALA 18 -1.982 -18.065 -11.988 117 HA ALA 18 HA ALA 18 -4.371 -19.491 -11.223 118 HB1 ALA 18 HB1 ALA 18 -3.964 -18.741 -14.151 119 HB2 ALA 18 HB2 ALA 18 -5.257 -18.159 -13.100 120 HB3 ALA 18 HB3 ALA 18 -5.186 -19.865 -13.543 121 HA PRO 19 HA PRO 19 -1.595 -23.050 -11.418 122 HB2 PRO 19 HB2 PRO 19 -3.917 -24.404 -12.816 123 HB3 PRO 19 HB3 PRO 19 -2.899 -25.008 -11.495 124 HG2 PRO 19 HG2 PRO 19 -5.302 -24.047 -10.937 125 HG3 PRO 19 HG3 PRO 19 -3.930 -23.609 -9.896 126 HD2 PRO 19 HD2 PRO 19 -5.326 -21.960 -11.993 127 HD3 PRO 19 HD3 PRO 19 -4.647 -21.458 -10.427 128 H MET 20 H MET 20 -3.341 -22.437 -14.499 129 HA MET 20 HA MET 20 -1.159 -23.547 -16.120 130 HB2 MET 20 HB2 MET 20 -3.758 -22.174 -16.929 131 HB3 MET 20 HB3 MET 20 -2.586 -22.823 -18.069 132 HG2 MET 20 HG2 MET 20 -2.975 -25.087 -17.182 133 HG3 MET 20 HG3 MET 20 -4.153 -24.434 -16.037 134 HE1 MET 20 HE1 MET 20 -6.493 -26.282 -18.628 135 HE2 MET 20 HE2 MET 20 -6.045 -26.128 -16.927 136 HE3 MET 20 HE3 MET 20 -4.906 -26.827 -18.082 137 H THR 21 H THR 21 0.351 -22.341 -17.257 138 HA THR 21 HA THR 21 0.697 -19.522 -16.567 139 HB THR 21 HB THR 21 2.894 -19.794 -17.906 140 HG1 THR 21 HG1 THR 21 3.206 -21.641 -18.884 141 HG21 THR 21 HG21 THR 21 2.867 -19.887 -15.435 142 HG22 THR 21 HG22 THR 21 4.031 -21.038 -16.101 143 HG23 THR 21 HG23 THR 21 2.473 -21.608 -15.497 144 H GLY 22 H GLY 22 -1.062 -18.603 -17.731 145 HA2 GLY 22 HA2 GLY 22 -1.160 -18.692 -20.644 146 HA3 GLY 22 HA3 GLY 22 -2.207 -17.776 -19.579 147 H TRP 23 H TRP 23 0.660 -17.695 -21.532 148 HA TRP 23 HA TRP 23 1.725 -15.206 -20.554 149 HB2 TRP 23 HB2 TRP 23 2.361 -16.831 -23.041 150 HB3 TRP 23 HB3 TRP 23 3.195 -15.334 -22.633 151 HD1 TRP 23 HD1 TRP 23 3.237 -19.030 -21.844 152 HE1 TRP 23 HE1 TRP 23 5.070 -19.515 -20.111 153 HE3 TRP 23 HE3 TRP 23 4.360 -14.225 -20.450 154 HZ2 TRP 23 HZ2 TRP 23 6.763 -18.081 -18.375 155 HZ3 TRP 23 HZ3 TRP 23 6.104 -13.870 -18.744 156 HH2 TRP 23 HH2 TRP 23 7.282 -15.761 -17.727 157 H TYR 24 H TYR 24 -0.239 -13.923 -20.658 158 HA TYR 24 HA TYR 24 -0.170 -12.294 -23.146 159 HB2 TYR 24 HB2 TYR 24 -2.476 -12.723 -21.187 160 HB3 TYR 24 HB3 TYR 24 -2.449 -11.401 -22.347 161 HD1 TYR 24 HD1 TYR 24 -2.119 -12.097 -24.883 162 HD2 TYR 24 HD2 TYR 24 -3.514 -14.768 -21.841 163 HE1 TYR 24 HE1 TYR 24 -3.163 -13.510 -26.599 164 HE2 TYR 24 HE2 TYR 24 -4.555 -16.179 -23.567 165 HH TYR 24 HH TYR 24 -5.447 -15.847 -25.913 166 H ARG 25 H ARG 25 1.526 -12.407 -20.663 167 HA ARG 25 HA ARG 25 2.402 -11.246 -18.936 168 HB2 ARG 25 HB2 ARG 25 2.984 -9.722 -20.856 169 HB3 ARG 25 HB3 ARG 25 1.535 -8.786 -20.515 170 HG2 ARG 25 HG2 ARG 25 2.488 -8.301 -18.218 171 HG3 ARG 25 HG3 ARG 25 3.980 -9.090 -18.737 172 HD2 ARG 25 HD2 ARG 25 4.193 -6.669 -18.960 173 HD3 ARG 25 HD3 ARG 25 4.207 -7.410 -20.562 174 HE ARG 25 HE ARG 25 1.587 -6.755 -20.169 175 HH11 ARG 25 HH11 ARG 25 4.504 -4.881 -20.060 176 HH12 ARG 25 HH12 ARG 25 3.702 -3.436 -20.560 177 HH21 ARG 25 HH21 ARG 25 0.601 -4.889 -20.797 178 HH22 ARG 25 HH22 ARG 25 1.522 -3.433 -20.954 179 H ASN 26 H ASN 26 0.669 -12.114 -17.554 180 HA ASN 26 HA ASN 26 -1.195 -10.033 -16.528 181 HB2 ASN 26 HB2 ASN 26 -2.401 -11.875 -17.701 182 HB3 ASN 26 HB3 ASN 26 -1.672 -13.050 -16.611 183 HD21 ASN 26 HD21 ASN 26 -3.590 -13.773 -15.685 184 HD22 ASN 26 HD22 ASN 26 -4.616 -12.774 -14.722 185 H GLY 27 H GLY 27 -0.869 -13.130 -14.853 186 HA2 GLY 27 HA2 GLY 27 0.138 -11.719 -12.474 187 HA3 GLY 27 HA3 GLY 27 -0.611 -13.309 -12.528 188 H PHE 28 H PHE 28 2.069 -12.127 -14.490 189 HA PHE 28 HA PHE 28 3.977 -13.960 -13.148 190 HB2 PHE 28 HB2 PHE 28 4.250 -12.503 -15.822 191 HB3 PHE 28 HB3 PHE 28 5.395 -13.663 -15.157 192 HD1 PHE 28 HD1 PHE 28 4.649 -16.097 -14.876 193 HD2 PHE 28 HD2 PHE 28 2.384 -13.241 -17.126 194 HE1 PHE 28 HE1 PHE 28 3.477 -17.924 -16.035 195 HE2 PHE 28 HE2 PHE 28 1.219 -15.080 -18.270 196 HZ PHE 28 HZ PHE 28 1.764 -17.416 -17.727 197 H CYS 29 H CYS 29 3.305 -10.649 -14.112 198 HA CYS 29 HA CYS 29 3.936 -8.607 -13.425 199 HB2 CYS 29 HB2 CYS 29 4.871 -10.051 -10.919 200 HB3 CYS 29 HB3 CYS 29 4.499 -8.327 -11.049 201 HG CYS 29 HG CYS 29 1.779 -8.815 -11.725 202 H GLN 30 H GLN 30 5.939 -10.340 -14.842 203 HA GLN 30 HA GLN 30 8.548 -9.385 -13.949 204 HB2 GLN 30 HB2 GLN 30 8.114 -11.753 -14.837 205 HB3 GLN 30 HB3 GLN 30 7.918 -11.038 -16.435 206 HG2 GLN 30 HG2 GLN 30 10.310 -10.033 -15.995 207 HG3 GLN 30 HG3 GLN 30 10.416 -11.271 -14.743 208 HE21 GLN 30 HE21 GLN 30 10.278 -10.653 -18.158 209 HE22 GLN 30 HE22 GLN 30 10.745 -12.232 -18.670 210 H THR 31 H THR 31 7.306 -7.165 -14.413 211 HA THR 31 HA THR 31 7.810 -6.181 -17.134 212 HB THR 31 HB THR 31 5.737 -5.424 -16.059 213 HG1 THR 31 HG1 THR 31 7.433 -3.143 -16.136 214 HG21 THR 31 HG21 THR 31 5.764 -3.896 -14.119 215 HG22 THR 31 HG22 THR 31 7.510 -4.108 -13.969 216 HG23 THR 31 HG23 THR 31 6.427 -5.476 -13.697 217 H ASP 32 H ASP 32 9.275 -6.183 -13.955 218 HA ASP 32 HA ASP 32 11.344 -4.278 -14.413 219 HB2 ASP 32 HB2 ASP 32 11.421 -6.792 -12.673 220 HB3 ASP 32 HB3 ASP 32 12.516 -5.415 -12.549 221 H VAL 33 H VAL 33 13.102 -4.435 -15.713 222 HA VAL 33 HA VAL 33 13.392 -6.461 -17.650 223 HB VAL 33 HB VAL 33 14.091 -4.100 -17.970 224 HG11 VAL 33 HG11 VAL 33 16.232 -3.237 -17.103 225 HG12 VAL 33 HG12 VAL 33 16.484 -4.727 -16.192 226 HG13 VAL 33 HG13 VAL 33 15.140 -3.658 -15.779 227 HG21 VAL 33 HG21 VAL 33 14.940 -5.810 -19.534 228 HG22 VAL 33 HG22 VAL 33 16.355 -6.066 -18.509 229 HG23 VAL 33 HG23 VAL 33 16.122 -4.514 -19.319 230 H GLN 34 H GLN 34 14.755 -6.210 -14.481 231 HA GLN 34 HA GLN 34 15.858 -8.835 -14.421 232 HB2 GLN 34 HB2 GLN 34 17.707 -7.776 -15.676 233 HB3 GLN 34 HB3 GLN 34 17.842 -6.504 -14.466 234 HG2 GLN 34 HG2 GLN 34 18.531 -8.222 -12.792 235 HG3 GLN 34 HG3 GLN 34 18.468 -9.450 -14.053 236 HE21 GLN 34 HE21 GLN 34 20.073 -9.409 -15.699 237 HE22 GLN 34 HE22 GLN 34 21.548 -8.539 -15.495 238 H ASP 35 H ASP 35 16.114 -5.577 -13.013 239 HA ASP 35 HA ASP 35 15.393 -6.552 -10.331 240 HB2 ASP 35 HB2 ASP 35 17.911 -6.521 -10.506 241 HB3 ASP 35 HB3 ASP 35 17.845 -4.809 -10.896 242 H ARG 36 H ARG 36 16.507 -3.608 -12.001 243 HA ARG 36 HA ARG 36 14.639 -1.895 -10.574 244 HB2 ARG 36 HB2 ARG 36 16.670 -1.208 -12.749 245 HB3 ARG 36 HB3 ARG 36 15.831 -0.053 -11.712 246 HG2 ARG 36 HG2 ARG 36 17.041 -0.826 -9.758 247 HG3 ARG 36 HG3 ARG 36 17.738 -2.176 -10.660 248 HD2 ARG 36 HD2 ARG 36 18.953 -0.547 -12.109 249 HD3 ARG 36 HD3 ARG 36 18.297 0.774 -11.143 250 HE ARG 36 HE ARG 36 19.814 0.307 -9.479 251 HH11 ARG 36 HH11 ARG 36 19.882 -2.367 -11.690 252 HH12 ARG 36 HH12 ARG 36 21.363 -2.981 -11.051 253 HH21 ARG 36 HH21 ARG 36 21.728 -0.506 -8.721 254 HH22 ARG 36 HH22 ARG 36 22.389 -1.942 -9.415 255 H GLY 37 H GLY 37 12.530 -1.938 -11.345 256 HA2 GLY 37 HA2 GLY 37 11.856 -1.859 -14.167 257 HA3 GLY 37 HA3 GLY 37 10.770 -1.594 -12.804 258 H SER 38 H SER 38 10.234 0.480 -12.244 259 HA SER 38 HA SER 38 11.835 2.784 -12.673 260 HB2 SER 38 HB2 SER 38 11.192 2.595 -15.036 261 HB3 SER 38 HB3 SER 38 9.487 2.486 -14.605 262 HG SER 38 HG SER 38 10.252 4.608 -15.305 263 H HIS 39 H HIS 39 8.311 2.092 -12.785 264 HA HIS 39 HA HIS 39 7.886 3.185 -10.112 265 HB2 HIS 39 HB2 HIS 39 6.209 4.880 -10.879 266 HB3 HIS 39 HB3 HIS 39 7.827 5.241 -11.463 267 HD1 HIS 39 HD1 HIS 39 4.489 3.953 -12.664 268 HD2 HIS 39 HD2 HIS 39 8.036 5.444 -14.237 269 HE1 HIS 39 HE1 HIS 39 4.039 4.319 -15.103 270 HE2 HIS 39 HE2 HIS 39 6.224 5.095 -16.060 271 H THR 40 H THR 40 7.601 0.560 -11.015 272 HA THR 40 HA THR 40 4.768 0.102 -11.712 273 HB THR 40 HB THR 40 5.483 -2.259 -12.181 274 HG1 THR 40 HG1 THR 40 7.415 -2.930 -11.641 275 HG21 THR 40 HG21 THR 40 6.797 -1.791 -14.214 276 HG22 THR 40 HG22 THR 40 7.144 -0.165 -13.624 277 HG23 THR 40 HG23 THR 40 5.487 -0.622 -14.027 278 H VAL 41 H VAL 41 3.577 0.205 -9.895 279 HA VAL 41 HA VAL 41 3.968 -1.852 -7.800 280 HB VAL 41 HB VAL 41 2.929 0.984 -7.245 281 HG11 VAL 41 HG11 VAL 41 1.883 -0.715 -5.780 282 HG12 VAL 41 HG12 VAL 41 2.962 0.326 -4.850 283 HG13 VAL 41 HG13 VAL 41 3.479 -1.302 -5.296 284 HG21 VAL 41 HG21 VAL 41 4.991 1.324 -5.892 285 HG22 VAL 41 HG22 VAL 41 5.343 1.108 -7.608 286 HG23 VAL 41 HG23 VAL 41 5.611 -0.217 -6.475 287 H CYS 42 H CYS 42 2.296 -3.257 -8.311 288 HA CYS 42 HA CYS 42 -0.451 -2.139 -8.565 289 HB2 CYS 42 HB2 CYS 42 0.553 -4.956 -9.174 290 HB3 CYS 42 HB3 CYS 42 -1.104 -4.388 -9.391 291 HG CYS 42 HG CYS 42 1.663 -3.467 -11.143 292 H ALA 43 H ALA 43 -1.322 -1.902 -6.622 293 HA ALA 43 HA ALA 43 -1.314 -4.035 -4.606 294 HB1 ALA 43 HB1 ALA 43 -0.686 -2.441 -2.802 295 HB2 ALA 43 HB2 ALA 43 -0.408 -1.183 -4.009 296 HB3 ALA 43 HB3 ALA 43 0.614 -2.619 -3.981 297 H GLU 44 H GLU 44 -3.135 -3.756 -3.074 298 HA GLU 44 HA GLU 44 -5.214 -1.939 -4.170 299 HB2 GLU 44 HB2 GLU 44 -5.471 -4.484 -4.564 300 HB3 GLU 44 HB3 GLU 44 -5.849 -4.597 -2.842 301 HG2 GLU 44 HG2 GLU 44 -7.742 -3.089 -3.126 302 HG3 GLU 44 HG3 GLU 44 -7.301 -2.820 -4.819 303 H MET 45 H MET 45 -5.433 -0.299 -2.820 304 HA MET 45 HA MET 45 -5.369 -0.592 0.095 305 HB2 MET 45 HB2 MET 45 -5.729 1.914 -1.626 306 HB3 MET 45 HB3 MET 45 -5.457 1.858 0.107 307 HG2 MET 45 HG2 MET 45 -3.469 0.838 -1.922 308 HG3 MET 45 HG3 MET 45 -3.416 2.440 -1.185 309 HE1 MET 45 HE1 MET 45 -2.798 1.576 2.590 310 HE2 MET 45 HE2 MET 45 -4.348 1.849 1.795 311 HE3 MET 45 HE3 MET 45 -2.964 2.874 1.405 312 H THR 46 H THR 46 -7.165 -0.205 1.448 313 HA THR 46 HA THR 46 -9.804 -0.571 0.183 314 HB THR 46 HB THR 46 -10.620 -1.209 2.408 315 HG1 THR 46 HG1 THR 46 -9.113 -1.228 4.185 316 HG21 THR 46 HG21 THR 46 -7.938 -2.544 1.861 317 HG22 THR 46 HG22 THR 46 -9.479 -2.994 1.124 318 HG23 THR 46 HG23 THR 46 -9.237 -3.203 2.860 319 H GLU 47 H GLU 47 -11.675 0.642 0.937 320 HA GLU 47 HA GLU 47 -11.265 3.461 1.015 321 HB2 GLU 47 HB2 GLU 47 -13.267 2.272 0.009 322 HB3 GLU 47 HB3 GLU 47 -13.853 1.982 1.645 323 HG2 GLU 47 HG2 GLU 47 -13.773 4.534 1.964 324 HG3 GLU 47 HG3 GLU 47 -13.515 4.634 0.219 325 H GLU 48 H GLU 48 -12.010 1.071 3.488 326 HA GLU 48 HA GLU 48 -12.662 2.590 5.703 327 HB2 GLU 48 HB2 GLU 48 -12.773 0.158 5.641 328 HB3 GLU 48 HB3 GLU 48 -11.036 0.033 5.410 329 HG2 GLU 48 HG2 GLU 48 -11.591 -0.595 7.656 330 HG3 GLU 48 HG3 GLU 48 -10.674 0.910 7.674 331 H PHE 49 H PHE 49 -9.433 1.655 4.556 332 HA PHE 49 HA PHE 49 -7.970 3.101 6.579 333 HB2 PHE 49 HB2 PHE 49 -7.147 1.559 4.088 334 HB3 PHE 49 HB3 PHE 49 -5.974 2.364 5.121 335 HD1 PHE 49 HD2 PHE 49 -9.004 0.253 5.918 336 HD2 PHE 49 HD1 PHE 49 -4.780 0.717 6.300 337 HE1 PHE 49 HE2 PHE 49 -8.912 -1.734 7.355 338 HE2 PHE 49 HE1 PHE 49 -4.708 -1.279 7.731 339 HZ PHE 49 HZ PHE 49 -6.762 -2.505 8.261 340 H LEU 50 H LEU 50 -8.942 3.742 3.236 341 HA LEU 50 HA LEU 50 -7.155 5.955 2.847 342 HB2 LEU 50 HB2 LEU 50 -9.189 4.514 1.209 343 HB3 LEU 50 HB3 LEU 50 -8.917 6.179 0.754 344 HG LEU 50 HG LEU 50 -6.614 5.807 0.268 345 HD11 LEU 50 HD11 LEU 50 -6.003 4.378 2.123 346 HD12 LEU 50 HD12 LEU 50 -5.457 3.687 0.602 347 HD13 LEU 50 HD13 LEU 50 -6.882 3.024 1.407 348 HD21 LEU 50 HD21 LEU 50 -6.716 4.145 -1.537 349 HD22 LEU 50 HD22 LEU 50 -8.175 5.133 -1.509 350 HD23 LEU 50 HD23 LEU 50 -8.213 3.488 -0.865 351 H LEU 51 H LEU 51 -10.570 5.728 3.752 352 HA LEU 51 HA LEU 51 -11.093 8.551 3.716 353 HB2 LEU 51 HB2 LEU 51 -12.499 6.248 5.120 354 HB3 LEU 51 HB3 LEU 51 -13.069 7.904 5.211 355 HG LEU 51 HG LEU 51 -12.927 6.181 2.710 356 HD11 LEU 51 HD11 LEU 51 -15.371 6.346 2.709 357 HD12 LEU 51 HD12 LEU 51 -15.332 7.288 4.203 358 HD13 LEU 51 HD13 LEU 51 -14.786 5.608 4.200 359 HD21 LEU 51 HD21 LEU 51 -12.371 8.485 2.112 360 HD22 LEU 51 HD22 LEU 51 -13.805 9.083 2.950 361 HD23 LEU 51 HD23 LEU 51 -13.976 8.069 1.514 362 H PHE 52 H PHE 52 -9.897 6.266 6.140 363 HA PHE 52 HA PHE 52 -9.840 7.970 8.402 364 HB2 PHE 52 HB2 PHE 52 -9.558 5.517 8.552 365 HB3 PHE 52 HB3 PHE 52 -8.032 5.619 7.683 366 HD1 PHE 52 HD1 PHE 52 -9.730 6.428 10.888 367 HD2 PHE 52 HD2 PHE 52 -5.969 6.210 8.837 368 HE1 PHE 52 HE1 PHE 52 -8.543 6.708 13.022 369 HE2 PHE 52 HE2 PHE 52 -4.803 6.497 10.983 370 HZ PHE 52 HZ PHE 52 -6.082 6.743 13.070 371 H SER 53 H SER 53 -7.278 7.176 6.028 372 HA SER 53 HA SER 53 -5.300 8.941 7.072 373 HB2 SER 53 HB2 SER 53 -4.735 6.954 5.686 374 HB3 SER 53 HB3 SER 53 -5.459 7.733 4.279 375 HG SER 53 HG SER 53 -3.304 8.171 4.164 376 H ARG 54 H ARG 54 -7.839 9.370 4.656 377 HA ARG 54 HA ARG 54 -7.035 11.806 3.501 378 HB2 ARG 54 HB2 ARG 54 -8.838 10.477 2.525 379 HB3 ARG 54 HB3 ARG 54 -9.836 10.712 3.958 380 HG2 ARG 54 HG2 ARG 54 -9.913 13.167 3.452 381 HG3 ARG 54 HG3 ARG 54 -9.001 12.860 1.969 382 HD2 ARG 54 HD2 ARG 54 -10.823 11.543 1.063 383 HD3 ARG 54 HD3 ARG 54 -11.702 11.604 2.596 384 HE ARG 54 HE ARG 54 -11.428 13.755 0.617 385 HH11 ARG 54 HH11 ARG 54 -12.578 12.878 3.776 386 HH12 ARG 54 HH12 ARG 54 -13.715 14.177 3.819 387 HH21 ARG 54 HH21 ARG 54 -12.871 15.409 0.733 388 HH22 ARG 54 HH22 ARG 54 -13.877 15.587 2.126 389 H ASP 55 H ASP 55 -9.373 11.301 6.163 390 HA ASP 55 HA ASP 55 -9.418 14.137 6.801 391 HB2 ASP 55 HB2 ASP 55 -10.883 11.749 7.985 392 HB3 ASP 55 HB3 ASP 55 -11.170 13.427 8.461 393 H ARG 56 H ARG 56 -7.232 11.785 7.613 394 HA ARG 56 HA ARG 56 -6.555 12.578 10.277 395 HB2 ARG 56 HB2 ARG 56 -5.643 10.504 9.534 396 HB3 ARG 56 HB3 ARG 56 -5.010 11.204 8.051 397 HG2 ARG 56 HG2 ARG 56 -3.164 12.182 9.131 398 HG3 ARG 56 HG3 ARG 56 -3.925 12.112 10.721 399 HD2 ARG 56 HD2 ARG 56 -3.047 9.647 9.177 400 HD3 ARG 56 HD3 ARG 56 -2.030 10.480 10.359 401 HE ARG 56 HE ARG 56 -4.639 9.708 11.336 402 HH11 ARG 56 HH11 ARG 56 -1.376 8.588 10.989 403 HH12 ARG 56 HH12 ARG 56 -1.500 7.545 12.360 404 HH21 ARG 56 HH21 ARG 56 -4.732 8.393 13.087 405 HH22 ARG 56 HH22 ARG 56 -3.363 7.431 13.519 406 H GLY 57 H GLY 57 -5.490 13.732 7.044 407 HA2 GLY 57 HA2 GLY 57 -5.376 16.403 7.551 408 HA3 GLY 57 HA3 GLY 57 -3.828 15.852 8.171 409 H ASN 58 H ASN 58 -5.520 14.633 5.296 410 HA ASN 58 HA ASN 58 -4.264 16.243 3.331 411 HB2 ASN 58 HB2 ASN 58 -2.217 14.959 4.055 412 HB3 ASN 58 HB3 ASN 58 -3.014 13.462 3.600 413 HD21 ASN 58 HD21 ASN 58 -0.544 14.755 2.608 414 HD22 ASN 58 HD22 ASN 58 -0.729 14.857 0.901 415 H ASP 59 H ASP 59 -5.852 16.190 1.793 416 HA ASP 59 HA ASP 59 -7.773 14.084 1.654 417 HB2 ASP 59 HB2 ASP 59 -7.264 16.460 -0.165 418 HB3 ASP 59 HB3 ASP 59 -8.594 15.327 -0.412 419 H LEU 60 H LEU 60 -7.063 12.111 1.069 420 HA LEU 60 HA LEU 60 -5.385 11.451 -1.135 421 HB2 LEU 60 HB2 LEU 60 -7.376 9.900 0.549 422 HB3 LEU 60 HB3 LEU 60 -6.638 9.142 -0.850 423 HG LEU 60 HG LEU 60 -4.400 9.346 0.145 424 HD11 LEU 60 HD11 LEU 60 -4.626 11.438 1.391 425 HD12 LEU 60 HD12 LEU 60 -4.007 10.150 2.422 426 HD13 LEU 60 HD13 LEU 60 -5.697 10.648 2.551 427 HD21 LEU 60 HD21 LEU 60 -6.372 8.144 2.111 428 HD22 LEU 60 HD22 LEU 60 -4.641 7.799 2.037 429 HD23 LEU 60 HD23 LEU 60 -5.685 7.343 0.694 430 H MET 61 H MET 61 -8.855 11.984 -0.802 431 HA MET 61 HA MET 61 -9.282 11.863 -3.717 432 HB2 MET 61 HB2 MET 61 -11.287 12.332 -1.451 433 HB3 MET 61 HB3 MET 61 -11.681 12.076 -3.148 434 HG2 MET 61 HG2 MET 61 -12.157 10.050 -1.983 435 HG3 MET 61 HG3 MET 61 -10.697 9.760 -2.932 436 HE1 MET 61 HE1 MET 61 -11.678 7.876 -0.476 437 HE2 MET 61 HE2 MET 61 -10.144 7.590 0.348 438 HE3 MET 61 HE3 MET 61 -10.220 7.544 -1.415 439 H THR 62 H THR 62 -11.430 13.996 -3.414 440 HA THR 62 HA THR 62 -9.795 16.447 -3.142 441 HB THR 62 HB THR 62 -11.754 17.632 -4.112 442 HG1 THR 62 HG1 THR 62 -13.030 15.123 -4.475 443 HG21 THR 62 HG21 THR 62 -11.032 15.140 -5.705 444 HG22 THR 62 HG22 THR 62 -10.117 16.651 -5.689 445 HG23 THR 62 HG23 THR 62 -11.748 16.613 -6.364 446 HA PRO 63 HA PRO 63 -11.701 17.606 0.849 447 HB2 PRO 63 HB2 PRO 63 -11.995 20.446 -0.025 448 HB3 PRO 63 HB3 PRO 63 -10.978 19.761 1.249 449 HG2 PRO 63 HG2 PRO 63 -9.903 20.691 -1.034 450 HG3 PRO 63 HG3 PRO 63 -9.236 19.260 -0.219 451 HD2 PRO 63 HD2 PRO 63 -11.104 19.379 -2.606 452 HD3 PRO 63 HD3 PRO 63 -9.619 18.420 -2.380 453 H ARG 64 H ARG 64 -13.620 16.721 -1.239 454 HA ARG 64 HA ARG 64 -16.069 18.236 -0.501 455 HB2 ARG 64 HB2 ARG 64 -15.510 16.556 -3.005 456 HB3 ARG 64 HB3 ARG 64 -17.013 17.414 -2.662 457 HG2 ARG 64 HG2 ARG 64 -15.863 19.571 -2.810 458 HG3 ARG 64 HG3 ARG 64 -14.312 18.756 -3.018 459 HD2 ARG 64 HD2 ARG 64 -15.057 19.546 -5.174 460 HD3 ARG 64 HD3 ARG 64 -15.155 17.788 -5.164 461 HE ARG 64 HE ARG 64 -17.524 17.929 -5.077 462 HH11 ARG 64 HH11 ARG 64 -16.106 21.097 -5.406 463 HH12 ARG 64 HH12 ARG 64 -17.552 21.772 -6.072 464 HH21 ARG 64 HH21 ARG 64 -19.340 18.851 -5.923 465 HH22 ARG 64 HH22 ARG 64 -19.348 20.524 -6.349 466 HA PRO 65 HA PRO 65 -17.435 14.326 1.427 467 HB2 PRO 65 HB2 PRO 65 -20.134 14.726 1.543 468 HB3 PRO 65 HB3 PRO 65 -19.000 15.586 2.598 469 HG2 PRO 65 HG2 PRO 65 -20.272 16.521 0.019 470 HG3 PRO 65 HG3 PRO 65 -20.127 17.388 1.564 471 HD2 PRO 65 HD2 PRO 65 -18.418 17.855 -0.490 472 HD3 PRO 65 HD3 PRO 65 -17.878 17.928 1.202 473 H GLU 66 H GLU 66 -18.182 15.216 -1.765 474 HA GLU 66 HA GLU 66 -19.660 12.861 -2.573 475 HB2 GLU 66 HB2 GLU 66 -18.224 14.953 -4.264 476 HB3 GLU 66 HB3 GLU 66 -19.421 13.791 -4.838 477 HG2 GLU 66 HG2 GLU 66 -21.156 14.867 -3.506 478 HG3 GLU 66 HG3 GLU 66 -19.979 15.983 -2.812 479 H PHE 67 H PHE 67 -18.716 11.550 -4.484 480 HA PHE 67 HA PHE 67 -16.254 10.299 -3.505 481 HB2 PHE 67 HB2 PHE 67 -18.193 9.378 -5.676 482 HB3 PHE 67 HB3 PHE 67 -16.921 8.405 -4.940 483 HD1 PHE 67 HD1 PHE 67 -17.129 7.667 -2.546 484 HD2 PHE 67 HD2 PHE 67 -20.323 9.714 -4.528 485 HE1 PHE 67 HE1 PHE 67 -18.689 6.961 -0.778 486 HE2 PHE 67 HE2 PHE 67 -21.875 8.995 -2.759 487 HZ PHE 67 HZ PHE 67 -21.060 7.621 -0.883 488 H ASN 68 H ASN 68 -15.850 12.804 -4.772 489 HA ASN 68 HA ASN 68 -14.855 12.423 -7.469 490 HB2 ASN 68 HB2 ASN 68 -16.022 14.531 -6.835 491 HB3 ASN 68 HB3 ASN 68 -14.779 14.868 -5.633 492 HD21 ASN 68 HD21 ASN 68 -14.197 16.810 -6.623 493 HD22 ASN 68 HD22 ASN 68 -13.341 16.873 -8.120 494 H PHE 69 H PHE 69 -12.975 11.434 -7.689 495 HA PHE 69 HA PHE 69 -10.654 12.084 -5.955 496 HB2 PHE 69 HB2 PHE 69 -9.781 9.828 -6.375 497 HB3 PHE 69 HB3 PHE 69 -11.404 9.713 -5.713 498 HD1 PHE 69 HD1 PHE 69 -13.352 9.222 -7.337 499 HD2 PHE 69 HD2 PHE 69 -9.246 8.771 -8.467 500 HE1 PHE 69 HE1 PHE 69 -14.020 7.774 -9.211 501 HE2 PHE 69 HE2 PHE 69 -9.925 7.326 -10.338 502 HZ PHE 69 HZ PHE 69 -12.310 6.826 -10.712 503 HA PRO 70 HA PRO 70 -8.644 13.504 -9.797 504 HB2 PRO 70 HB2 PRO 70 -6.007 13.400 -9.004 505 HB3 PRO 70 HB3 PRO 70 -7.120 14.683 -8.506 506 HG2 PRO 70 HG2 PRO 70 -6.293 12.199 -6.999 507 HG3 PRO 70 HG3 PRO 70 -6.427 13.870 -6.407 508 HD2 PRO 70 HD2 PRO 70 -8.373 12.036 -5.942 509 HD3 PRO 70 HD3 PRO 70 -8.758 13.750 -6.212 510 H GLY 71 H GLY 71 -7.181 10.665 -8.161 511 HA2 GLY 71 HA2 GLY 71 -7.412 8.902 -10.385 512 HA3 GLY 71 HA3 GLY 71 -5.772 9.558 -10.306 513 H LEU 72 H LEU 72 -6.783 6.797 -9.877 514 HA LEU 72 HA LEU 72 -6.690 4.996 -8.547 515 HB2 LEU 72 HB2 LEU 72 -4.345 6.500 -7.339 516 HB3 LEU 72 HB3 LEU 72 -4.730 4.839 -6.939 517 HG LEU 72 HG LEU 72 -2.976 4.693 -8.504 518 HD11 LEU 72 HD11 LEU 72 -4.758 3.102 -8.977 519 HD12 LEU 72 HD12 LEU 72 -3.880 3.543 -10.438 520 HD13 LEU 72 HD13 LEU 72 -5.480 4.227 -10.133 521 HD21 LEU 72 HD21 LEU 72 -2.858 5.839 -10.670 522 HD22 LEU 72 HD22 LEU 72 -2.960 6.991 -9.340 523 HD23 LEU 72 HD23 LEU 72 -4.385 6.665 -10.331 524 H LYS 73 H LYS 73 -8.635 5.028 -7.532 525 HA LYS 73 HA LYS 73 -8.941 6.273 -4.885 526 HB2 LYS 73 HB2 LYS 73 -11.374 5.687 -5.186 527 HB3 LYS 73 HB3 LYS 73 -10.745 6.768 -6.414 528 HG2 LYS 73 HG2 LYS 73 -11.948 5.364 -7.782 529 HG3 LYS 73 HG3 LYS 73 -10.418 4.489 -7.776 530 HD2 LYS 73 HD2 LYS 73 -11.440 3.149 -5.779 531 HD3 LYS 73 HD3 LYS 73 -12.981 3.842 -6.291 532 HE2 LYS 73 HE2 LYS 73 -11.148 2.067 -7.939 533 HE3 LYS 73 HE3 LYS 73 -12.719 1.629 -7.262 534 HZ1 LYS 73 HZ1 LYS 73 -12.232 3.666 -9.370 535 HZ2 LYS 73 HZ2 LYS 73 -13.740 3.285 -8.714 536 HZ3 LYS 73 HZ3 LYS 73 -12.894 2.126 -9.603 537 H ALA 74 H ALA 74 -10.789 4.531 -3.751 538 HA ALA 74 HA ALA 74 -9.138 2.519 -2.589 539 HB1 ALA 74 HB1 ALA 74 -11.116 1.986 -1.253 540 HB2 ALA 74 HB2 ALA 74 -12.117 2.981 -2.316 541 HB3 ALA 74 HB3 ALA 74 -10.857 3.729 -1.329 542 H GLY 75 H GLY 75 -8.600 0.688 -3.669 543 HA2 GLY 75 HA2 GLY 75 -9.300 -1.581 -4.074 544 HA3 GLY 75 HA3 GLY 75 -10.768 -0.990 -4.819 545 H ASP 76 H ASP 76 -8.390 0.972 -6.040 546 HA ASP 76 HA ASP 76 -8.177 -0.466 -8.527 547 HB2 ASP 76 HB2 ASP 76 -6.875 2.104 -7.563 548 HB3 ASP 76 HB3 ASP 76 -6.545 1.414 -9.149 549 H ARG 77 H ARG 77 -7.177 -2.420 -8.104 550 HA ARG 77 HA ARG 77 -4.438 -2.537 -7.088 551 HB2 ARG 77 HB2 ARG 77 -6.207 -4.341 -6.728 552 HB3 ARG 77 HB3 ARG 77 -6.101 -4.710 -8.446 553 HG2 ARG 77 HG2 ARG 77 -3.665 -5.281 -8.095 554 HG3 ARG 77 HG3 ARG 77 -3.917 -5.050 -6.359 555 HD2 ARG 77 HD2 ARG 77 -5.214 -7.127 -8.160 556 HD3 ARG 77 HD3 ARG 77 -4.103 -7.417 -6.818 557 HE ARG 77 HE ARG 77 -6.280 -6.126 -5.710 558 HH11 ARG 77 HH11 ARG 77 -5.896 -9.081 -7.482 559 HH12 ARG 77 HH12 ARG 77 -7.241 -9.829 -6.700 560 HH21 ARG 77 HH21 ARG 77 -8.013 -7.101 -4.778 561 HH22 ARG 77 HH22 ARG 77 -8.414 -8.729 -5.189 562 H TRP 78 H TRP 78 -3.378 -1.190 -8.577 563 HA TRP 78 HA TRP 78 -2.093 -1.953 -10.862 564 HB2 TRP 78 HB2 TRP 78 -4.237 -2.306 -12.055 565 HB3 TRP 78 HB3 TRP 78 -4.793 -0.703 -11.603 566 HD1 TRP 78 HD1 TRP 78 -2.145 -2.363 -13.909 567 HE1 TRP 78 HE1 TRP 78 -1.626 -0.743 -15.835 568 HE3 TRP 78 HE3 TRP 78 -4.944 1.653 -12.394 569 HZ2 TRP 78 HZ2 TRP 78 -2.310 1.876 -16.630 570 HZ3 TRP 78 HZ3 TRP 78 -4.957 3.686 -13.795 571 HH2 TRP 78 HH2 TRP 78 -3.662 3.792 -15.875 572 H CYS 79 H CYS 79 -0.537 -0.372 -11.044 573 HA CYS 79 HA CYS 79 0.617 1.598 -10.895 574 HB2 CYS 79 HB2 CYS 79 -0.737 2.068 -12.900 575 HB3 CYS 79 HB3 CYS 79 -2.028 2.716 -11.895 576 HG CYS 79 HG CYS 79 -0.661 4.970 -11.099 577 H LEU 80 H LEU 80 -0.736 0.757 -8.461 578 HA LEU 80 HA LEU 80 -1.991 2.902 -7.092 579 HB2 LEU 80 HB2 LEU 80 -2.358 0.517 -6.507 580 HB3 LEU 80 HB3 LEU 80 -0.676 0.348 -6.036 581 HG LEU 80 HG LEU 80 -2.509 0.517 -4.190 582 HD11 LEU 80 HD11 LEU 80 -0.150 0.544 -3.610 583 HD12 LEU 80 HD12 LEU 80 -1.053 1.661 -2.592 584 HD13 LEU 80 HD13 LEU 80 -0.064 2.278 -3.916 585 HD21 LEU 80 HD21 LEU 80 -3.141 2.756 -3.447 586 HD22 LEU 80 HD22 LEU 80 -3.715 2.443 -5.082 587 HD23 LEU 80 HD23 LEU 80 -2.302 3.472 -4.826 588 H CYS 81 H CYS 81 -1.130 4.604 -6.044 589 HA CYS 81 HA CYS 81 1.555 5.367 -6.072 590 HB2 CYS 81 HB2 CYS 81 -0.184 7.015 -5.703 591 HB3 CYS 81 HB3 CYS 81 -0.673 6.241 -4.198 592 HG CYS 81 HG CYS 81 1.294 8.716 -4.473 593 H ALA 82 H ALA 82 3.082 4.117 -5.265 594 HA ALA 82 HA ALA 82 3.094 2.268 -3.224 595 HB1 ALA 82 HB1 ALA 82 4.855 2.512 -4.912 596 HB2 ALA 82 HB2 ALA 82 5.547 2.492 -3.293 597 HB3 ALA 82 HB3 ALA 82 5.387 4.016 -4.164 598 H SER 83 H SER 83 3.671 5.735 -3.010 599 HA SER 83 HA SER 83 4.620 5.941 -0.365 600 HB2 SER 83 HB2 SER 83 3.049 8.024 -1.939 601 HB3 SER 83 HB3 SER 83 4.130 8.331 -0.574 602 HG SER 83 HG SER 83 5.819 8.107 -1.858 603 H ARG 84 H ARG 84 1.308 5.770 -1.651 604 HA ARG 84 HA ARG 84 -0.045 6.589 0.747 605 HB2 ARG 84 HB2 ARG 84 -1.164 6.792 -1.425 606 HB3 ARG 84 HB3 ARG 84 -1.107 5.046 -1.662 607 HG2 ARG 84 HG2 ARG 84 -2.733 4.642 0.033 608 HG3 ARG 84 HG3 ARG 84 -2.555 6.260 0.712 609 HD2 ARG 84 HD2 ARG 84 -4.640 6.208 -0.427 610 HD3 ARG 84 HD3 ARG 84 -3.546 7.176 -1.414 611 HE ARG 84 HE ARG 84 -3.777 4.381 -2.169 612 HH11 ARG 84 HH11 ARG 84 -4.781 7.637 -2.790 613 HH12 ARG 84 HH12 ARG 84 -5.654 7.212 -4.220 614 HH21 ARG 84 HH21 ARG 84 -4.951 3.860 -4.006 615 HH22 ARG 84 HH22 ARG 84 -5.748 5.106 -4.891 616 H TRP 85 H TRP 85 0.532 3.358 -0.699 617 HA TRP 85 HA TRP 85 -0.587 1.768 1.363 618 HB2 TRP 85 HB2 TRP 85 -0.201 0.488 -0.535 619 HB3 TRP 85 HB3 TRP 85 1.315 1.296 -0.914 620 HD1 TRP 85 HD1 TRP 85 3.341 -0.200 -0.625 621 HE1 TRP 85 HE1 TRP 85 4.006 -2.176 0.873 622 HE3 TRP 85 HE3 TRP 85 -0.996 -0.752 2.033 623 HZ2 TRP 85 HZ2 TRP 85 2.874 -3.773 2.872 624 HZ3 TRP 85 HZ3 TRP 85 -1.121 -2.542 3.712 625 HH2 TRP 85 HH2 TRP 85 0.774 -4.023 4.123 626 H GLN 86 H GLN 86 2.724 2.900 0.848 627 HA GLN 86 HA GLN 86 3.960 1.874 3.139 628 HB2 GLN 86 HB2 GLN 86 5.149 2.760 1.158 629 HB3 GLN 86 HB3 GLN 86 4.604 4.384 1.536 630 HG2 GLN 86 HG2 GLN 86 6.975 3.985 2.138 631 HG3 GLN 86 HG3 GLN 86 5.989 4.473 3.515 632 HE21 GLN 86 HE21 GLN 86 5.649 3.012 5.182 633 HE22 GLN 86 HE22 GLN 86 6.526 1.519 5.321 634 H GLU 87 H GLU 87 2.191 4.921 2.676 635 HA GLU 87 HA GLU 87 2.841 6.157 5.149 636 HB2 GLU 87 HB2 GLU 87 1.958 7.435 3.239 637 HB3 GLU 87 HB3 GLU 87 0.423 6.579 3.340 638 HG2 GLU 87 HG2 GLU 87 -0.026 7.589 5.527 639 HG3 GLU 87 HG3 GLU 87 1.550 8.380 5.502 640 H ALA 88 H ALA 88 0.092 4.083 4.174 641 HA ALA 88 HA ALA 88 -1.269 4.282 6.709 642 HB1 ALA 88 HB1 ALA 88 -1.698 2.224 4.519 643 HB2 ALA 88 HB2 ALA 88 -2.496 3.796 4.620 644 HB3 ALA 88 HB3 ALA 88 -2.796 2.580 5.863 645 H PHE 89 H PHE 89 1.224 2.119 5.417 646 HA PHE 89 HA PHE 89 1.151 0.169 7.491 647 HB2 PHE 89 HB2 PHE 89 2.450 -0.109 5.336 648 HB3 PHE 89 HB3 PHE 89 3.620 1.064 5.929 649 HD1 PHE 89 HD1 PHE 89 5.176 0.461 7.795 650 HD2 PHE 89 HD2 PHE 89 2.372 -2.385 6.264 651 HE1 PHE 89 HE1 PHE 89 6.348 -1.346 8.988 652 HE2 PHE 89 HE2 PHE 89 3.553 -4.174 7.455 653 HZ PHE 89 HZ PHE 89 5.532 -3.664 8.823 654 H GLU 90 H GLU 90 3.060 3.166 7.099 655 HA GLU 90 HA GLU 90 4.381 3.133 9.618 656 HB2 GLU 90 HB2 GLU 90 3.749 5.436 7.724 657 HB3 GLU 90 HB3 GLU 90 4.811 5.580 9.125 658 HG2 GLU 90 HG2 GLU 90 6.380 3.992 8.169 659 HG3 GLU 90 HG3 GLU 90 5.292 3.668 6.817 660 H ALA 91 H ALA 91 1.189 4.280 8.668 661 HA ALA 91 HA ALA 91 0.555 5.688 11.096 662 HB1 ALA 91 HB1 ALA 91 -0.618 6.118 8.963 663 HB2 ALA 91 HB2 ALA 91 -1.752 5.683 10.244 664 HB3 ALA 91 HB3 ALA 91 -1.313 4.495 9.011 665 H GLY 92 H GLY 92 1.124 2.438 10.654 666 HA2 GLY 92 HA2 GLY 92 0.962 0.685 12.139 667 HA3 GLY 92 HA3 GLY 92 -0.014 1.689 13.200 668 H MET 93 H MET 93 -0.919 1.252 9.858 669 HA MET 93 HA MET 93 -3.294 -0.325 10.685 670 HB2 MET 93 HB2 MET 93 -3.117 1.649 8.381 671 HB3 MET 93 HB3 MET 93 -4.564 0.852 8.979 672 HG2 MET 93 HG2 MET 93 -4.410 2.134 11.071 673 HG3 MET 93 HG3 MET 93 -2.936 2.912 10.483 674 HE1 MET 93 HE1 MET 93 -6.816 2.517 10.032 675 HE2 MET 93 HE2 MET 93 -6.230 1.982 8.456 676 HE3 MET 93 HE3 MET 93 -7.116 3.497 8.596 677 H ALA 94 H ALA 94 -2.312 0.443 7.345 678 HA ALA 94 HA ALA 94 -1.657 -0.712 5.539 679 HB1 ALA 94 HB1 ALA 94 -0.461 -2.680 7.495 680 HB2 ALA 94 HB2 ALA 94 0.308 -1.210 6.904 681 HB3 ALA 94 HB3 ALA 94 -0.046 -2.523 5.787 682 HA PRO 95 HA PRO 95 -5.164 -3.704 4.972 683 HB2 PRO 95 HB2 PRO 95 -4.675 -3.033 2.089 684 HB3 PRO 95 HB3 PRO 95 -6.172 -2.938 3.026 685 HG2 PRO 95 HG2 PRO 95 -4.862 -0.714 2.297 686 HG3 PRO 95 HG3 PRO 95 -5.662 -0.828 3.880 687 HD2 PRO 95 HD2 PRO 95 -2.723 -1.158 3.223 688 HD3 PRO 95 HD3 PRO 95 -3.486 -0.235 4.540 689 HA PRO 96 HA PRO 96 -2.912 -7.395 3.405 690 HB2 PRO 96 HB2 PRO 96 -4.877 -8.722 1.978 691 HB3 PRO 96 HB3 PRO 96 -4.769 -8.743 3.744 692 HG2 PRO 96 HG2 PRO 96 -6.490 -7.007 1.967 693 HG3 PRO 96 HG3 PRO 96 -6.945 -7.881 3.447 694 HD2 PRO 96 HD2 PRO 96 -6.429 -5.230 3.495 695 HD3 PRO 96 HD3 PRO 96 -5.950 -6.278 4.852 696 H VAL 97 H VAL 97 -1.379 -6.752 1.937 697 HA VAL 97 HA VAL 97 -2.122 -5.725 -0.697 698 HB VAL 97 HB VAL 97 -0.530 -4.404 0.657 699 HG11 VAL 97 HG11 VAL 97 1.766 -5.162 1.086 700 HG12 VAL 97 HG12 VAL 97 1.382 -6.753 0.415 701 HG13 VAL 97 HG13 VAL 97 0.588 -6.203 1.894 702 HG21 VAL 97 HG21 VAL 97 -0.389 -4.201 -1.790 703 HG22 VAL 97 HG22 VAL 97 0.769 -5.534 -1.852 704 HG23 VAL 97 HG23 VAL 97 1.210 -4.021 -1.057 705 H VAL 98 H VAL 98 -1.473 -6.630 -2.593 706 HA VAL 98 HA VAL 98 -1.156 -9.480 -2.674 707 HB VAL 98 HB VAL 98 -1.129 -9.097 -5.238 708 HG11 VAL 98 HG11 VAL 98 -3.538 -8.665 -5.331 709 HG12 VAL 98 HG12 VAL 98 -3.520 -8.098 -3.660 710 HG13 VAL 98 HG13 VAL 98 -3.146 -9.786 -4.024 711 HG21 VAL 98 HG21 VAL 98 -0.373 -6.743 -5.243 712 HG22 VAL 98 HG22 VAL 98 -1.841 -6.252 -4.391 713 HG23 VAL 98 HG23 VAL 98 -1.945 -6.898 -6.033 714 H LEU 99 H LEU 99 0.893 -10.008 -1.860 715 HA LEU 99 HA LEU 99 3.399 -9.093 -2.728 716 HB2 LEU 99 HB2 LEU 99 2.405 -11.637 -1.457 717 HB3 LEU 99 HB3 LEU 99 4.041 -11.640 -2.081 718 HG LEU 99 HG LEU 99 3.813 -11.127 0.407 719 HD11 LEU 99 HD11 LEU 99 5.194 -9.013 -1.288 720 HD12 LEU 99 HD12 LEU 99 5.859 -10.592 -0.857 721 HD13 LEU 99 HD13 LEU 99 5.544 -9.400 0.401 722 HD21 LEU 99 HD21 LEU 99 2.764 -8.450 -0.572 723 HD22 LEU 99 HD22 LEU 99 3.132 -8.904 1.094 724 HD23 LEU 99 HD23 LEU 99 1.809 -9.691 0.244 725 H GLN 100 H GLN 100 1.190 -11.288 -4.272 726 HA GLN 100 HA GLN 100 2.917 -12.427 -6.210 727 HB2 GLN 100 HB2 GLN 100 0.751 -13.425 -5.562 728 HB3 GLN 100 HB3 GLN 100 -0.103 -12.043 -6.240 729 HG2 GLN 100 HG2 GLN 100 0.648 -12.634 -8.483 730 HG3 GLN 100 HG3 GLN 100 1.617 -13.963 -7.845 731 HE21 GLN 100 HE21 GLN 100 -1.704 -13.079 -6.912 732 HE22 GLN 100 HE22 GLN 100 -2.422 -14.535 -7.488 733 H SER 101 H SER 101 0.772 -9.549 -6.299 734 HA SER 101 HA SER 101 1.382 -9.107 -9.143 735 HB2 SER 101 HB2 SER 101 -0.993 -9.066 -8.477 736 HB3 SER 101 HB3 SER 101 -0.671 -7.712 -7.403 737 HG SER 101 HG SER 101 0.189 -7.256 -9.963 738 H THR 102 H THR 102 1.871 -7.448 -6.010 739 HA THR 102 HA THR 102 3.082 -5.086 -6.890 740 HB THR 102 HB THR 102 4.522 -5.188 -4.793 741 HG1 THR 102 HG1 THR 102 4.352 -7.663 -4.855 742 HG21 THR 102 HG21 THR 102 2.306 -4.132 -4.722 743 HG22 THR 102 HG22 THR 102 2.666 -4.956 -3.203 744 HG23 THR 102 HG23 THR 102 1.565 -5.697 -4.369 745 H GLU 103 H GLU 103 4.799 -4.673 -8.117 746 HA GLU 103 HA GLU 103 6.653 -6.762 -8.932 747 HB2 GLU 103 HB2 GLU 103 6.436 -3.865 -9.834 748 HB3 GLU 103 HB3 GLU 103 7.407 -5.108 -10.596 749 HG2 GLU 103 HG2 GLU 103 5.644 -5.352 -11.993 750 HG3 GLU 103 HG3 GLU 103 4.938 -6.302 -10.698 751 H LYS 104 H LYS 104 9.054 -5.911 -9.327 752 HA LYS 104 HA LYS 104 10.138 -5.770 -6.657 753 HB2 LYS 104 HB2 LYS 104 10.992 -7.101 -8.769 754 HB3 LYS 104 HB3 LYS 104 11.837 -5.616 -9.174 755 HG2 LYS 104 HG2 LYS 104 12.203 -7.017 -6.504 756 HG3 LYS 104 HG3 LYS 104 13.138 -7.460 -7.932 757 HD2 LYS 104 HD2 LYS 104 14.122 -5.227 -8.042 758 HD3 LYS 104 HD3 LYS 104 13.101 -4.667 -6.716 759 HE2 LYS 104 HE2 LYS 104 14.227 -6.171 -5.158 760 HE3 LYS 104 HE3 LYS 104 15.180 -6.866 -6.473 761 HZ1 LYS 104 HZ1 LYS 104 16.278 -4.786 -6.788 762 HZ2 LYS 104 HZ2 LYS 104 16.381 -5.208 -5.150 763 HZ3 LYS 104 HZ3 LYS 104 15.287 -4.025 -5.651 764 H SER 105 H SER 105 9.707 -3.477 -9.276 765 HA SER 105 HA SER 105 11.398 -1.364 -8.470 766 HB2 SER 105 HB2 SER 105 10.266 -1.407 -10.656 767 HB3 SER 105 HB3 SER 105 8.704 -1.193 -9.872 768 HG SER 105 HG SER 105 10.325 0.769 -9.065 769 H ALA 106 H ALA 106 8.351 -2.422 -7.134 770 HA ALA 106 HA ALA 106 7.448 -0.193 -5.728 771 HB1 ALA 106 HB1 ALA 106 7.251 -3.095 -4.862 772 HB2 ALA 106 HB2 ALA 106 6.158 -2.272 -5.981 773 HB3 ALA 106 HB3 ALA 106 6.236 -1.761 -4.294 774 H LEU 107 H LEU 107 10.028 -2.445 -4.837 775 HA LEU 107 HA LEU 107 10.151 -1.915 -2.045 776 HB2 LEU 107 HB2 LEU 107 12.061 -3.228 -3.999 777 HB3 LEU 107 HB3 LEU 107 12.520 -2.998 -2.323 778 HG LEU 107 HG LEU 107 10.601 -4.417 -1.592 779 HD11 LEU 107 HD11 LEU 107 9.347 -5.783 -3.177 780 HD12 LEU 107 HD12 LEU 107 10.105 -4.948 -4.537 781 HD13 LEU 107 HD13 LEU 107 9.039 -4.067 -3.437 782 HD21 LEU 107 HD21 LEU 107 12.460 -5.773 -3.578 783 HD22 LEU 107 HD22 LEU 107 11.547 -6.575 -2.296 784 HD23 LEU 107 HD23 LEU 107 12.815 -5.424 -1.882 785 H ARG 108 H ARG 108 10.811 0.347 -4.295 786 HA ARG 108 HA ARG 108 13.289 1.444 -3.075 787 HB2 ARG 108 HB2 ARG 108 11.838 2.389 -5.589 788 HB3 ARG 108 HB3 ARG 108 13.409 2.940 -5.006 789 HG2 ARG 108 HG2 ARG 108 13.872 0.233 -5.257 790 HG3 ARG 108 HG3 ARG 108 12.683 0.490 -6.535 791 HD2 ARG 108 HD2 ARG 108 14.842 0.746 -7.540 792 HD3 ARG 108 HD3 ARG 108 14.172 2.377 -7.390 793 HE ARG 108 HE ARG 108 16.050 1.291 -5.376 794 HH11 ARG 108 HH11 ARG 108 15.250 3.852 -7.564 795 HH12 ARG 108 HH12 ARG 108 16.652 4.771 -7.149 796 HH21 ARG 108 HH21 ARG 108 17.807 2.469 -4.866 797 HH22 ARG 108 HH22 ARG 108 18.083 3.995 -5.624 798 H TYR 109 H TYR 109 9.884 1.904 -3.175 799 HA TYR 109 HA TYR 109 10.013 4.582 -1.866 800 HB2 TYR 109 HB2 TYR 109 7.707 3.123 -3.259 801 HB3 TYR 109 HB3 TYR 109 7.566 4.686 -2.473 802 HD1 TYR 109 HD1 TYR 109 9.282 2.908 -5.288 803 HD2 TYR 109 HD2 TYR 109 8.055 6.698 -3.723 804 HE1 TYR 109 HE1 TYR 109 9.871 3.980 -7.423 805 HE2 TYR 109 HE2 TYR 109 8.652 7.769 -5.853 806 HH TYR 109 HH TYR 109 10.066 7.386 -7.784 807 H VAL 110 H VAL 110 9.030 1.312 -1.829 808 HA VAL 110 HA VAL 110 7.904 1.345 0.888 809 HB VAL 110 HB VAL 110 7.606 -0.911 -1.150 810 HG11 VAL 110 HG11 VAL 110 5.774 0.106 1.006 811 HG12 VAL 110 HG12 VAL 110 6.832 -1.310 1.108 812 HG13 VAL 110 HG13 VAL 110 5.491 -1.288 -0.041 813 HG21 VAL 110 HG21 VAL 110 6.909 1.104 -2.403 814 HG22 VAL 110 HG22 VAL 110 5.780 1.527 -1.116 815 HG23 VAL 110 HG23 VAL 110 5.532 0.050 -2.058 816 H SER 111 H SER 111 8.319 -1.282 1.661 817 HA SER 111 HA SER 111 10.925 -2.264 0.674 818 HB2 SER 111 HB2 SER 111 11.734 -2.815 2.880 819 HB3 SER 111 HB3 SER 111 11.214 -1.133 2.960 820 HG SER 111 HG SER 111 9.820 -1.685 4.427 821 H LEU 112 H LEU 112 11.141 -4.572 0.800 822 HA LEU 112 HA LEU 112 8.945 -6.186 0.306 823 HB2 LEU 112 HB2 LEU 112 11.106 -6.972 -0.311 824 HB3 LEU 112 HB3 LEU 112 11.708 -6.843 1.318 825 HG LEU 112 HG LEU 112 9.508 -8.859 0.866 826 HD11 LEU 112 HD11 LEU 112 12.348 -9.438 -0.031 827 HD12 LEU 112 HD12 LEU 112 10.947 -9.264 -1.090 828 HD13 LEU 112 HD13 LEU 112 11.013 -10.597 0.062 829 HD21 LEU 112 HD21 LEU 112 10.408 -8.601 3.126 830 HD22 LEU 112 HD22 LEU 112 12.046 -8.927 2.546 831 HD23 LEU 112 HD23 LEU 112 10.822 -10.199 2.500 832 H ALA 113 H ALA 113 10.550 -5.625 3.439 833 HA ALA 113 HA ALA 113 9.217 -7.567 4.984 834 HB1 ALA 113 HB1 ALA 113 9.982 -6.272 6.934 835 HB2 ALA 113 HB2 ALA 113 10.350 -4.893 5.890 836 HB3 ALA 113 HB3 ALA 113 11.255 -6.398 5.718 837 H ASP 114 H ASP 114 8.362 -4.183 4.324 838 HA ASP 114 HA ASP 114 6.030 -4.013 5.904 839 HB2 ASP 114 HB2 ASP 114 6.899 -2.503 3.409 840 HB3 ASP 114 HB3 ASP 114 5.456 -2.082 4.342 841 H LEU 115 H LEU 115 6.531 -5.202 2.591 842 HA LEU 115 HA LEU 115 3.784 -5.454 1.853 843 HB2 LEU 115 HB2 LEU 115 6.082 -7.172 0.846 844 HB3 LEU 115 HB3 LEU 115 4.540 -6.899 0.051 845 HG LEU 115 HG LEU 115 6.836 -4.928 0.347 846 HD11 LEU 115 HD11 LEU 115 5.599 -6.172 -2.122 847 HD12 LEU 115 HD12 LEU 115 7.154 -6.606 -1.401 848 HD13 LEU 115 HD13 LEU 115 6.924 -4.999 -2.094 849 HD21 LEU 115 HD21 LEU 115 4.748 -3.700 0.613 850 HD22 LEU 115 HD22 LEU 115 4.117 -4.400 -0.882 851 HD23 LEU 115 HD23 LEU 115 5.517 -3.322 -0.926 852 H GLN 116 H GLN 116 6.190 -7.803 3.043 853 HA GLN 116 HA GLN 116 4.526 -10.095 3.016 854 HB2 GLN 116 HB2 GLN 116 7.089 -9.648 4.609 855 HB3 GLN 116 HB3 GLN 116 6.369 -11.203 4.222 856 HG2 GLN 116 HG2 GLN 116 6.712 -10.054 1.709 857 HG3 GLN 116 HG3 GLN 116 8.107 -9.464 2.604 858 HE21 GLN 116 HE21 GLN 116 6.554 -12.279 1.272 859 HE22 GLN 116 HE22 GLN 116 7.893 -13.349 1.473 860 H ALA 117 H ALA 117 5.341 -7.780 5.542 861 HA ALA 117 HA ALA 117 4.327 -8.976 7.845 862 HB1 ALA 117 HB1 ALA 117 5.600 -6.867 7.824 863 HB2 ALA 117 HB2 ALA 117 4.107 -6.704 8.752 864 HB3 ALA 117 HB3 ALA 117 4.216 -6.029 7.120 865 H HIS 118 H HIS 118 2.540 -7.146 5.364 866 HA HIS 118 HA HIS 118 -0.036 -8.111 6.503 867 HB2 HIS 118 HB2 HIS 118 0.558 -5.391 5.253 868 HB3 HIS 118 HB3 HIS 118 -1.073 -5.986 5.553 869 HD1 HIS 118 HD1 HIS 118 -2.031 -5.374 7.766 870 HD2 HIS 118 HD2 HIS 118 2.117 -5.200 7.779 871 HE1 HIS 118 HE1 HIS 118 -1.400 -4.504 10.029 872 HE2 HIS 118 HE2 HIS 118 1.106 -4.548 10.063 873 H ALA 119 H ALA 119 1.354 -9.644 4.723 874 HA ALA 119 HA ALA 119 0.714 -9.390 2.014 875 HB1 ALA 119 HB1 ALA 119 2.375 -10.983 2.893 876 HB2 ALA 119 HB2 ALA 119 1.201 -11.788 1.849 877 HB3 ALA 119 HB3 ALA 119 1.079 -11.950 3.605 878 H LEU 120 H LEU 120 -0.837 -10.411 0.703 879 HA LEU 120 HA LEU 120 -3.537 -10.519 1.512 880 HB2 LEU 120 HB2 LEU 120 -4.048 -11.207 -0.706 881 HB3 LEU 120 HB3 LEU 120 -2.629 -10.187 -0.874 882 HG LEU 120 HG LEU 120 -2.452 -13.235 -0.820 883 HD11 LEU 120 HD11 LEU 120 -3.904 -12.642 -2.660 884 HD12 LEU 120 HD12 LEU 120 -2.349 -13.215 -3.262 885 HD13 LEU 120 HD13 LEU 120 -2.714 -11.485 -3.274 886 HD21 LEU 120 HD21 LEU 120 -0.334 -12.081 -0.351 887 HD22 LEU 120 HD22 LEU 120 -0.482 -11.160 -1.849 888 HD23 LEU 120 HD23 LEU 120 -0.269 -12.913 -1.905 889 HA PRO 121 HA PRO 121 -4.299 -14.930 2.784 890 HB2 PRO 121 HB2 PRO 121 -6.334 -15.592 0.932 891 HB3 PRO 121 HB3 PRO 121 -6.587 -14.852 2.512 892 HG2 PRO 121 HG2 PRO 121 -6.371 -13.527 -0.182 893 HG3 PRO 121 HG3 PRO 121 -7.522 -13.203 1.133 894 HD2 PRO 121 HD2 PRO 121 -5.460 -11.568 0.774 895 HD3 PRO 121 HD3 PRO 121 -5.899 -12.051 2.432 896 H VAL 122 H VAL 122 -2.559 -16.147 2.232 897 HA VAL 122 HA VAL 122 -1.581 -16.468 -0.452 898 HB VAL 122 HB VAL 122 -0.753 -17.953 2.080 899 HG11 VAL 122 HG11 VAL 122 1.375 -18.445 0.888 900 HG12 VAL 122 HG12 VAL 122 0.727 -17.700 -0.575 901 HG13 VAL 122 HG13 VAL 122 -0.012 -19.168 0.069 902 HG21 VAL 122 HG21 VAL 122 1.109 -16.323 2.228 903 HG22 VAL 122 HG22 VAL 122 -0.457 -15.515 2.329 904 HG23 VAL 122 HG23 VAL 122 0.468 -15.458 0.826 905 H LEU 123 H LEU 123 -3.350 -17.350 -1.548 906 HA LEU 123 HA LEU 123 -4.402 -19.975 -0.988 907 HB2 LEU 123 HB2 LEU 123 -4.662 -18.171 -3.431 908 HB3 LEU 123 HB3 LEU 123 -5.574 -19.644 -3.168 909 HG LEU 123 HG LEU 123 -5.764 -17.126 -1.462 910 HD11 LEU 123 HD11 LEU 123 -6.780 -16.791 -3.653 911 HD12 LEU 123 HD12 LEU 123 -8.012 -16.854 -2.397 912 HD13 LEU 123 HD13 LEU 123 -7.762 -18.247 -3.453 913 HD21 LEU 123 HD21 LEU 123 -7.345 -19.716 -1.236 914 HD22 LEU 123 HD22 LEU 123 -7.661 -18.234 -0.328 915 HD23 LEU 123 HD23 LEU 123 -6.151 -19.105 -0.084 916 H GLU 124 H GLU 124 -3.363 -21.830 -1.490 917 HA GLU 124 HA GLU 124 -0.941 -21.927 -3.023 918 HB2 GLU 124 HB2 GLU 124 -1.354 -23.371 -1.061 919 HB3 GLU 124 HB3 GLU 124 -2.686 -24.157 -1.887 920 HG2 GLU 124 HG2 GLU 124 0.134 -24.290 -2.980 921 HG3 GLU 124 HG3 GLU 124 -0.394 -25.377 -1.703 922 H HIS 125 H HIS 125 -0.946 -21.743 -5.179 923 HA HIS 125 HA HIS 125 -3.016 -23.009 -6.866 924 HB2 HIS 125 HB2 HIS 125 -0.830 -20.979 -7.529 925 HB3 HIS 125 HB3 HIS 125 -1.892 -21.704 -8.735 926 HD1 HIS 125 HD1 HIS 125 -2.156 -19.565 -5.598 927 HD2 HIS 125 HD2 HIS 125 -4.220 -20.337 -9.117 928 HE1 HIS 125 HE1 HIS 125 -4.057 -17.934 -5.630 929 HE2 HIS 125 HE2 HIS 125 -5.382 -18.530 -7.678 930 H HIS 126 H HIS 126 -2.551 -24.791 -8.084 931 HA HIS 126 HA HIS 126 -0.226 -26.334 -7.498 932 HB2 HIS 126 HB2 HIS 126 -2.391 -26.800 -9.592 933 HB3 HIS 126 HB3 HIS 126 -1.198 -27.997 -9.085 934 HD1 HIS 126 HD1 HIS 126 -4.578 -27.156 -8.465 935 HD2 HIS 126 HD2 HIS 126 -1.409 -28.290 -6.040 936 HE1 HIS 126 HE1 HIS 126 -5.623 -27.922 -6.318 937 HE2 HIS 126 HE2 HIS 126 -3.669 -28.374 -4.804 938 H HIS 127 H HIS 127 1.694 -25.689 -8.214 939 HA HIS 127 HA HIS 127 2.205 -24.284 -10.652 940 HB2 HIS 127 HB2 HIS 127 4.086 -25.557 -8.611 941 HB3 HIS 127 HB3 HIS 127 4.652 -24.637 -10.004 942 HD1 HIS 127 HD1 HIS 127 2.378 -24.097 -6.984 943 HD2 HIS 127 HD2 HIS 127 4.950 -21.979 -9.461 944 HE1 HIS 127 HE1 HIS 127 2.426 -21.772 -6.065 945 HE2 HIS 127 HE2 HIS 127 4.212 -20.618 -7.394 946 H HIS 128 H HIS 128 1.800 -25.348 -12.514 947 HA HIS 128 HA HIS 128 2.520 -28.126 -12.987 948 HB2 HIS 128 HB2 HIS 128 1.331 -25.969 -14.780 949 HB3 HIS 128 HB3 HIS 128 1.660 -27.613 -15.330 950 HD1 HIS 128 HD1 HIS 128 -0.553 -25.704 -12.937 951 HD2 HIS 128 HD2 HIS 128 -0.237 -29.495 -14.598 952 HE1 HIS 128 HE1 HIS 128 -2.666 -26.892 -12.301 953 HE2 HIS 128 HE2 HIS 128 -2.534 -29.100 -13.481 954 H HIS 129 H HIS 129 4.459 -25.534 -12.737 955 HA HIS 129 HA HIS 129 6.200 -25.650 -14.954 956 HB2 HIS 129 HB2 HIS 129 6.151 -23.846 -13.171 957 HB3 HIS 129 HB3 HIS 129 6.947 -24.965 -12.071 958 HD1 HIS 129 HD1 HIS 129 9.473 -25.258 -12.326 959 HD2 HIS 129 HD2 HIS 129 7.798 -22.936 -15.342 960 HE1 HIS 129 HE1 HIS 129 11.416 -24.277 -13.576 961 HE2 HIS 129 HE2 HIS 129 10.385 -22.909 -15.418 962 H HIS 130 H HIS 130 5.913 -27.713 -12.082 963 HA HIS 130 HA HIS 130 8.305 -29.255 -12.588 964 HB2 HIS 130 HB2 HIS 130 7.350 -29.095 -10.310 965 HB3 HIS 130 HB3 HIS 130 5.886 -29.915 -10.842 966 HD1 HIS 130 HD1 HIS 130 6.250 -32.477 -11.624 967 HD2 HIS 130 HD2 HIS 130 9.364 -30.782 -9.455 968 HE1 HIS 130 HE1 HIS 130 7.639 -34.407 -10.830 969 HE2 HIS 130 HE2 HIS 130 9.401 -33.368 -9.369 Start of MODEL 2 1 H1 MET 1 H1 MET 1 23.654 -1.839 -5.806 2 H2 MET 1 H2 MET 1 24.776 -2.037 -4.555 3 H3 MET 1 H3 MET 1 24.080 -3.391 -5.297 4 HA MET 1 HA MET 1 25.846 -1.421 -6.627 5 HB2 MET 1 HB2 MET 1 27.122 -2.743 -5.015 6 HB3 MET 1 HB3 MET 1 26.418 -4.237 -5.611 7 HG2 MET 1 HG2 MET 1 27.626 -4.019 -7.709 8 HG3 MET 1 HG3 MET 1 28.249 -2.440 -7.225 9 HE1 MET 1 HE1 MET 1 30.775 -3.346 -4.382 10 HE2 MET 1 HE2 MET 1 29.107 -2.812 -4.186 11 HE3 MET 1 HE3 MET 1 30.135 -2.065 -5.413 12 H GLY 2 H GLY 2 25.415 -1.317 -8.752 13 HA2 GLY 2 HA2 GLY 2 25.136 -1.989 -10.939 14 HA3 GLY 2 HA3 GLY 2 25.132 -3.661 -10.413 15 H GLN 3 H GLN 3 23.193 -4.720 -10.229 16 HA GLN 3 HA GLN 3 20.710 -3.234 -10.922 17 HB2 GLN 3 HB2 GLN 3 21.606 -4.635 -12.788 18 HB3 GLN 3 HB3 GLN 3 21.497 -6.061 -11.767 19 HG2 GLN 3 HG2 GLN 3 19.052 -5.888 -11.727 20 HG3 GLN 3 HG3 GLN 3 19.120 -4.380 -12.639 21 HE21 GLN 3 HE21 GLN 3 17.788 -6.918 -13.308 22 HE22 GLN 3 HE22 GLN 3 18.406 -7.378 -14.850 23 H GLY 4 H GLY 4 18.736 -3.988 -9.973 24 HA2 GLY 4 HA2 GLY 4 18.928 -4.776 -7.245 25 HA3 GLY 4 HA3 GLY 4 17.443 -4.565 -8.157 26 H GLN 5 H GLN 5 18.134 -6.608 -6.159 27 HA GLN 5 HA GLN 5 18.467 -9.139 -7.619 28 HB2 GLN 5 HB2 GLN 5 18.351 -8.516 -4.634 29 HB3 GLN 5 HB3 GLN 5 18.540 -10.137 -5.290 30 HG2 GLN 5 HG2 GLN 5 20.705 -9.393 -4.626 31 HG3 GLN 5 HG3 GLN 5 20.672 -9.390 -6.386 32 HE21 GLN 5 HE21 GLN 5 22.363 -7.909 -6.584 33 HE22 GLN 5 HE22 GLN 5 22.238 -6.255 -6.113 34 H ASN 6 H ASN 6 17.054 -11.031 -6.868 35 HA ASN 6 HA ASN 6 14.289 -10.496 -6.228 36 HB2 ASN 6 HB2 ASN 6 13.313 -11.123 -8.362 37 HB3 ASN 6 HB3 ASN 6 14.421 -9.786 -8.637 38 HD21 ASN 6 HD21 ASN 6 16.874 -11.309 -8.698 39 HD22 ASN 6 HD22 ASN 6 16.828 -12.255 -10.132 40 H VAL 7 H VAL 7 12.970 -12.671 -6.960 41 HA VAL 7 HA VAL 7 14.540 -15.032 -6.042 42 HB VAL 7 HB VAL 7 12.574 -15.981 -5.091 43 HG11 VAL 7 HG11 VAL 7 12.366 -12.992 -4.616 44 HG12 VAL 7 HG12 VAL 7 13.432 -14.107 -3.755 45 HG13 VAL 7 HG13 VAL 7 11.682 -14.246 -3.574 46 HG21 VAL 7 HG21 VAL 7 10.867 -13.908 -6.548 47 HG22 VAL 7 HG22 VAL 7 10.252 -15.115 -5.414 48 HG23 VAL 7 HG23 VAL 7 10.971 -15.623 -6.943 49 H LEU 8 H LEU 8 13.249 -13.691 -8.825 50 HA LEU 8 HA LEU 8 11.797 -16.052 -9.769 51 HB2 LEU 8 HB2 LEU 8 12.092 -13.359 -11.163 52 HB3 LEU 8 HB3 LEU 8 10.982 -14.644 -11.546 53 HG LEU 8 HG LEU 8 9.925 -14.206 -9.211 54 HD11 LEU 8 HD11 LEU 8 10.122 -11.902 -8.366 55 HD12 LEU 8 HD12 LEU 8 11.399 -11.575 -9.541 56 HD13 LEU 8 HD13 LEU 8 11.655 -12.770 -8.267 57 HD21 LEU 8 HD21 LEU 8 8.453 -12.442 -10.116 58 HD22 LEU 8 HD22 LEU 8 8.757 -13.706 -11.306 59 HD23 LEU 8 HD23 LEU 8 9.596 -12.158 -11.433 60 H GLY 9 H GLY 9 14.165 -13.838 -11.298 61 HA2 GLY 9 HA2 GLY 9 15.901 -15.964 -12.196 62 HA3 GLY 9 HA3 GLY 9 14.953 -15.245 -13.493 63 H GLN 10 H GLN 10 14.960 -12.713 -13.344 64 HA GLN 10 HA GLN 10 17.503 -11.567 -12.481 65 HB2 GLN 10 HB2 GLN 10 17.814 -10.449 -14.770 66 HB3 GLN 10 HB3 GLN 10 18.185 -12.163 -14.683 67 HG2 GLN 10 HG2 GLN 10 16.041 -12.703 -15.756 68 HG3 GLN 10 HG3 GLN 10 15.624 -10.994 -15.814 69 HE21 GLN 10 HE21 GLN 10 15.806 -12.842 -18.026 70 HE22 GLN 10 HE22 GLN 10 16.995 -12.201 -19.102 71 H ASP 11 H ASP 11 14.797 -10.485 -14.588 72 HA ASP 11 HA ASP 11 13.433 -8.719 -14.628 73 HB2 ASP 11 HB2 ASP 11 13.382 -9.119 -11.623 74 HB3 ASP 11 HB3 ASP 11 12.161 -8.267 -12.573 75 H LEU 12 H LEU 12 12.912 -6.424 -13.800 76 HA LEU 12 HA LEU 12 13.534 -4.240 -13.882 77 HB2 LEU 12 HB2 LEU 12 14.609 -4.617 -11.667 78 HB3 LEU 12 HB3 LEU 12 16.082 -5.132 -12.463 79 HG LEU 12 HG LEU 12 16.367 -2.819 -13.389 80 HD11 LEU 12 HD11 LEU 12 15.038 -0.951 -12.504 81 HD12 LEU 12 HD12 LEU 12 13.983 -2.087 -11.660 82 HD13 LEU 12 HD13 LEU 12 14.043 -2.079 -13.424 83 HD21 LEU 12 HD21 LEU 12 17.545 -3.462 -11.344 84 HD22 LEU 12 HD22 LEU 12 16.169 -2.953 -10.359 85 HD23 LEU 12 HD23 LEU 12 17.086 -1.761 -11.286 86 H GLU 13 H GLU 13 14.972 -2.726 -15.114 87 HA GLU 13 HA GLU 13 16.067 -2.042 -16.973 88 HB2 GLU 13 HB2 GLU 13 17.574 -4.704 -16.837 89 HB3 GLU 13 HB3 GLU 13 18.054 -3.296 -17.780 90 HG2 GLU 13 HG2 GLU 13 17.951 -3.472 -14.747 91 HG3 GLU 13 HG3 GLU 13 19.404 -3.545 -15.741 92 H VAL 14 H VAL 14 16.921 -3.487 -19.307 93 HA VAL 14 HA VAL 14 14.502 -3.934 -20.725 94 HB VAL 14 HB VAL 14 16.610 -3.153 -21.802 95 HG11 VAL 14 HG11 VAL 14 18.450 -4.721 -22.340 96 HG12 VAL 14 HG12 VAL 14 17.651 -5.982 -21.397 97 HG13 VAL 14 HG13 VAL 14 18.252 -4.530 -20.594 98 HG21 VAL 14 HG21 VAL 14 14.871 -4.126 -23.252 99 HG22 VAL 14 HG22 VAL 14 15.566 -5.735 -23.033 100 HG23 VAL 14 HG23 VAL 14 16.480 -4.489 -23.887 101 H CYS 15 H CYS 15 13.593 -5.902 -21.563 102 HA CYS 15 HA CYS 15 13.519 -8.266 -20.116 103 HB2 CYS 15 HB2 CYS 15 12.494 -9.298 -22.096 104 HB3 CYS 15 HB3 CYS 15 11.920 -7.639 -21.930 105 HG CYS 15 HG CYS 15 12.453 -8.495 -24.669 106 H CYS 16 H CYS 16 15.780 -7.336 -22.642 107 HA CYS 16 HA CYS 16 17.863 -7.940 -23.182 108 HB2 CYS 16 HB2 CYS 16 18.401 -8.277 -20.825 109 HB3 CYS 16 HB3 CYS 16 17.698 -9.890 -20.855 110 HG CYS 16 HG CYS 16 20.236 -10.611 -20.857 111 H CYS 17 H CYS 17 16.355 -11.098 -22.284 112 HA CYS 17 HA CYS 17 17.368 -12.432 -24.631 113 HB2 CYS 17 HB2 CYS 17 17.079 -13.627 -22.487 114 HB3 CYS 17 HB3 CYS 17 15.337 -13.393 -22.578 115 HG CYS 17 HG CYS 17 16.659 -16.036 -23.352 116 H ALA 18 H ALA 18 16.473 -10.977 -26.212 117 HA ALA 18 HA ALA 18 14.118 -11.918 -27.518 118 HB1 ALA 18 HB1 ALA 18 12.790 -9.822 -27.457 119 HB2 ALA 18 HB2 ALA 18 13.961 -9.108 -26.344 120 HB3 ALA 18 HB3 ALA 18 12.990 -10.490 -25.834 121 HA PRO 19 HA PRO 19 16.882 -10.572 -30.830 122 HB2 PRO 19 HB2 PRO 19 14.374 -10.414 -32.503 123 HB3 PRO 19 HB3 PRO 19 15.883 -11.288 -32.811 124 HG2 PRO 19 HG2 PRO 19 13.716 -12.620 -32.024 125 HG3 PRO 19 HG3 PRO 19 15.310 -13.049 -31.363 126 HD2 PRO 19 HD2 PRO 19 13.104 -11.419 -30.089 127 HD3 PRO 19 HD3 PRO 19 14.128 -12.685 -29.369 128 H MET 20 H MET 20 17.650 -8.686 -31.632 129 HA MET 20 HA MET 20 17.943 -6.571 -32.314 130 HB2 MET 20 HB2 MET 20 14.949 -6.617 -32.819 131 HB3 MET 20 HB3 MET 20 16.016 -5.323 -33.357 132 HG2 MET 20 HG2 MET 20 17.261 -6.941 -34.739 133 HG3 MET 20 HG3 MET 20 16.167 -8.225 -34.211 134 HE1 MET 20 HE1 MET 20 16.775 -7.519 -37.290 135 HE2 MET 20 HE2 MET 20 15.158 -7.584 -37.990 136 HE3 MET 20 HE3 MET 20 15.666 -8.811 -36.828 137 H THR 21 H THR 21 16.689 -7.110 -29.365 138 HA THR 21 HA THR 21 16.084 -4.361 -28.592 139 HB THR 21 HB THR 21 16.062 -5.176 -26.244 140 HG1 THR 21 HG1 THR 21 16.306 -7.856 -26.825 141 HG21 THR 21 HG21 THR 21 13.982 -5.446 -27.538 142 HG22 THR 21 HG22 THR 21 14.179 -6.796 -26.417 143 HG23 THR 21 HG23 THR 21 14.536 -7.015 -28.132 144 H GLY 22 H GLY 22 18.699 -6.643 -27.707 145 HA2 GLY 22 HA2 GLY 22 20.957 -6.461 -27.487 146 HA3 GLY 22 HA3 GLY 22 20.854 -5.146 -28.645 147 H TRP 23 H TRP 23 21.309 -3.122 -27.956 148 HA TRP 23 HA TRP 23 22.181 -2.641 -25.222 149 HB2 TRP 23 HB2 TRP 23 22.118 -0.766 -27.629 150 HB3 TRP 23 HB3 TRP 23 22.916 -0.432 -26.097 151 HD1 TRP 23 HD1 TRP 23 25.074 -2.103 -25.499 152 HE1 TRP 23 HE1 TRP 23 26.823 -3.111 -27.086 153 HE3 TRP 23 HE3 TRP 23 22.515 -1.679 -29.911 154 HZ2 TRP 23 HZ2 TRP 23 27.094 -3.669 -29.832 155 HZ3 TRP 23 HZ3 TRP 23 23.590 -2.485 -31.978 156 HH2 TRP 23 HH2 TRP 23 25.836 -3.461 -31.940 157 H TYR 24 H TYR 24 19.698 -3.212 -24.848 158 HA TYR 24 HA TYR 24 17.899 -2.639 -23.666 159 HB2 TYR 24 HB2 TYR 24 19.112 0.132 -23.687 160 HB3 TYR 24 HB3 TYR 24 17.553 -0.181 -22.933 161 HD1 TYR 24 HD2 TYR 24 21.157 -1.254 -22.827 162 HD2 TYR 24 HD1 TYR 24 17.453 -1.001 -20.696 163 HE1 TYR 24 HE2 TYR 24 22.283 -2.004 -20.764 164 HE2 TYR 24 HE1 TYR 24 18.579 -1.744 -18.652 165 HH TYR 24 HH TYR 24 20.504 -2.845 -17.886 166 H ARG 25 H ARG 25 18.376 -0.548 -26.501 167 HA ARG 25 HA ARG 25 17.026 0.406 -28.043 168 HB2 ARG 25 HB2 ARG 25 16.046 -1.790 -28.449 169 HB3 ARG 25 HB3 ARG 25 14.978 -1.615 -27.061 170 HG2 ARG 25 HG2 ARG 25 13.832 0.284 -28.235 171 HG3 ARG 25 HG3 ARG 25 14.850 -0.020 -29.649 172 HD2 ARG 25 HD2 ARG 25 13.883 -2.266 -29.875 173 HD3 ARG 25 HD3 ARG 25 12.923 -2.022 -28.409 174 HE ARG 25 HE ARG 25 12.541 -0.639 -30.995 175 HH11 ARG 25 HH11 ARG 25 11.270 -1.400 -27.855 176 HH12 ARG 25 HH12 ARG 25 9.661 -0.956 -28.297 177 HH21 ARG 25 HH21 ARG 25 10.482 -0.056 -31.509 178 HH22 ARG 25 HH22 ARG 25 9.222 -0.201 -30.334 179 H ASN 26 H ASN 26 14.571 -0.215 -25.523 180 HA ASN 26 HA ASN 26 14.562 2.615 -24.682 181 HB2 ASN 26 HB2 ASN 26 12.082 2.703 -24.775 182 HB3 ASN 26 HB3 ASN 26 12.768 2.426 -26.369 183 HD21 ASN 26 HD21 ASN 26 10.090 1.791 -25.141 184 HD22 ASN 26 HD22 ASN 26 9.837 0.118 -25.476 185 H GLY 27 H GLY 27 15.101 -0.378 -23.695 186 HA2 GLY 27 HA2 GLY 27 14.923 -1.559 -21.714 187 HA3 GLY 27 HA3 GLY 27 14.031 -0.213 -21.013 188 H PHE 28 H PHE 28 13.727 -3.020 -23.184 189 HA PHE 28 HA PHE 28 10.946 -2.874 -23.666 190 HB2 PHE 28 HB2 PHE 28 12.731 -4.214 -24.963 191 HB3 PHE 28 HB3 PHE 28 12.582 -5.441 -23.718 192 HD1 PHE 28 HD2 PHE 28 10.682 -3.619 -26.369 193 HD2 PHE 28 HD1 PHE 28 10.774 -7.041 -23.800 194 HE1 PHE 28 HE2 PHE 28 8.782 -4.595 -27.592 195 HE2 PHE 28 HE1 PHE 28 8.872 -8.007 -25.027 196 HZ PHE 28 HZ PHE 28 7.877 -6.788 -26.923 197 H CYS 29 H CYS 29 9.210 -4.134 -22.861 198 HA CYS 29 HA CYS 29 7.775 -4.952 -21.328 199 HB2 CYS 29 HB2 CYS 29 10.224 -6.038 -19.892 200 HB3 CYS 29 HB3 CYS 29 8.559 -6.404 -19.444 201 HG CYS 29 HG CYS 29 8.113 -7.406 -22.181 202 H GLN 30 H GLN 30 9.125 -2.265 -21.107 203 HA GLN 30 HA GLN 30 8.977 -1.480 -18.322 204 HB2 GLN 30 HB2 GLN 30 10.495 -0.393 -19.973 205 HB3 GLN 30 HB3 GLN 30 9.099 0.179 -20.877 206 HG2 GLN 30 HG2 GLN 30 8.443 1.578 -18.930 207 HG3 GLN 30 HG3 GLN 30 9.887 1.035 -18.069 208 HE21 GLN 30 HE21 GLN 30 11.938 1.734 -18.836 209 HE22 GLN 30 HE22 GLN 30 12.100 3.096 -19.879 210 H THR 31 H THR 31 6.980 -1.476 -17.357 211 HA THR 31 HA THR 31 4.627 -0.411 -18.840 212 HB THR 31 HB THR 31 4.252 -2.754 -18.549 213 HG1 THR 31 HG1 THR 31 2.285 -2.414 -17.937 214 HG21 THR 31 HG21 THR 31 4.258 -3.939 -16.381 215 HG22 THR 31 HG22 THR 31 4.865 -2.486 -15.585 216 HG23 THR 31 HG23 THR 31 5.860 -3.314 -16.784 217 H ASP 32 H ASP 32 4.440 1.656 -18.136 218 HA ASP 32 HA ASP 32 3.677 2.141 -15.382 219 HB2 ASP 32 HB2 ASP 32 6.232 2.311 -15.383 220 HB3 ASP 32 HB3 ASP 32 6.072 3.712 -16.437 221 H VAL 33 H VAL 33 2.896 4.353 -15.020 222 HA VAL 33 HA VAL 33 1.162 5.232 -17.107 223 HB VAL 33 HB VAL 33 0.459 5.291 -14.772 224 HG11 VAL 33 HG11 VAL 33 2.555 7.445 -14.281 225 HG12 VAL 33 HG12 VAL 33 2.613 5.788 -13.674 226 HG13 VAL 33 HG13 VAL 33 1.349 6.885 -13.115 227 HG21 VAL 33 HG21 VAL 33 -0.637 6.893 -16.315 228 HG22 VAL 33 HG22 VAL 33 0.549 8.128 -15.884 229 HG23 VAL 33 HG23 VAL 33 -0.578 7.525 -14.667 230 H GLN 34 H GLN 34 4.279 6.444 -15.941 231 HA GLN 34 HA GLN 34 4.476 8.408 -18.099 232 HB2 GLN 34 HB2 GLN 34 3.292 9.737 -16.421 233 HB3 GLN 34 HB3 GLN 34 4.429 9.245 -15.168 234 HG2 GLN 34 HG2 GLN 34 6.241 10.453 -16.485 235 HG3 GLN 34 HG3 GLN 34 4.958 11.090 -17.518 236 HE21 GLN 34 HE21 GLN 34 6.344 11.117 -14.312 237 HE22 GLN 34 HE22 GLN 34 5.578 12.569 -13.779 238 H ASP 35 H ASP 35 5.973 7.534 -14.959 239 HA ASP 35 HA ASP 35 8.550 8.522 -15.703 240 HB2 ASP 35 HB2 ASP 35 7.755 6.819 -13.305 241 HB3 ASP 35 HB3 ASP 35 9.239 7.758 -13.470 242 H ARG 36 H ARG 36 9.369 7.462 -17.406 243 HA ARG 36 HA ARG 36 9.351 4.730 -17.991 244 HB2 ARG 36 HB2 ARG 36 11.293 5.353 -19.579 245 HB3 ARG 36 HB3 ARG 36 9.755 6.171 -19.807 246 HG2 ARG 36 HG2 ARG 36 10.589 8.180 -18.720 247 HG3 ARG 36 HG3 ARG 36 12.106 7.376 -18.310 248 HD2 ARG 36 HD2 ARG 36 11.154 7.823 -21.161 249 HD3 ARG 36 HD3 ARG 36 12.212 8.939 -20.295 250 HE ARG 36 HE ARG 36 13.688 6.812 -20.053 251 HH11 ARG 36 HH11 ARG 36 11.845 7.591 -22.877 252 HH12 ARG 36 HH12 ARG 36 13.001 6.887 -23.946 253 HH21 ARG 36 HH21 ARG 36 15.162 5.936 -21.453 254 HH22 ARG 36 HH22 ARG 36 14.857 5.970 -23.154 255 H GLY 37 H GLY 37 10.039 3.315 -16.474 256 HA2 GLY 37 HA2 GLY 37 12.357 2.138 -16.256 257 HA3 GLY 37 HA3 GLY 37 12.733 3.549 -15.275 258 H SER 38 H SER 38 12.855 2.775 -13.240 259 HA SER 38 HA SER 38 11.056 0.693 -12.250 260 HB2 SER 38 HB2 SER 38 13.484 0.565 -11.747 261 HB3 SER 38 HB3 SER 38 13.393 2.091 -10.874 262 HG SER 38 HG SER 38 12.508 -0.446 -10.153 263 H HIS 39 H HIS 39 9.087 1.910 -12.264 264 HA HIS 39 HA HIS 39 8.608 3.447 -9.790 265 HB2 HIS 39 HB2 HIS 39 9.036 5.129 -11.577 266 HB3 HIS 39 HB3 HIS 39 7.785 4.410 -12.578 267 HD1 HIS 39 HD1 HIS 39 5.504 5.389 -12.344 268 HD2 HIS 39 HD2 HIS 39 7.945 6.415 -9.144 269 HE1 HIS 39 HE1 HIS 39 4.174 7.031 -10.992 270 HE2 HIS 39 HE2 HIS 39 5.747 7.779 -9.185 271 H THR 40 H THR 40 7.966 0.726 -11.063 272 HA THR 40 HA THR 40 5.098 0.854 -11.679 273 HB THR 40 HB THR 40 7.016 -1.511 -11.932 274 HG1 THR 40 HG1 THR 40 6.146 0.309 -13.953 275 HG21 THR 40 HG21 THR 40 4.667 -2.254 -11.911 276 HG22 THR 40 HG22 THR 40 5.315 -2.386 -13.548 277 HG23 THR 40 HG23 THR 40 4.246 -1.046 -13.131 278 H VAL 41 H VAL 41 3.784 0.702 -9.961 279 HA VAL 41 HA VAL 41 4.213 -1.350 -7.856 280 HB VAL 41 HB VAL 41 3.133 1.457 -7.300 281 HG11 VAL 41 HG11 VAL 41 3.941 -0.779 -5.393 282 HG12 VAL 41 HG12 VAL 41 2.293 -0.251 -5.739 283 HG13 VAL 41 HG13 VAL 41 3.408 0.833 -4.906 284 HG21 VAL 41 HG21 VAL 41 5.937 0.426 -6.710 285 HG22 VAL 41 HG22 VAL 41 5.280 1.970 -6.166 286 HG23 VAL 41 HG23 VAL 41 5.515 1.669 -7.889 287 H CYS 42 H CYS 42 2.552 -2.769 -8.186 288 HA CYS 42 HA CYS 42 -0.216 -1.747 -8.547 289 HB2 CYS 42 HB2 CYS 42 0.881 -4.569 -8.948 290 HB3 CYS 42 HB3 CYS 42 -0.797 -4.078 -9.196 291 HG CYS 42 HG CYS 42 0.984 -4.438 -11.563 292 H ALA 43 H ALA 43 -1.170 -1.432 -6.607 293 HA ALA 43 HA ALA 43 -1.128 -3.473 -4.498 294 HB1 ALA 43 HB1 ALA 43 -0.558 -1.814 -2.739 295 HB2 ALA 43 HB2 ALA 43 -0.297 -0.584 -3.976 296 HB3 ALA 43 HB3 ALA 43 0.763 -1.991 -3.896 297 H GLU 44 H GLU 44 -2.992 -3.204 -3.004 298 HA GLU 44 HA GLU 44 -5.003 -1.278 -4.037 299 HB2 GLU 44 HB2 GLU 44 -5.471 -3.765 -4.471 300 HB3 GLU 44 HB3 GLU 44 -5.754 -3.915 -2.740 301 HG2 GLU 44 HG2 GLU 44 -7.569 -2.316 -2.844 302 HG3 GLU 44 HG3 GLU 44 -7.201 -1.959 -4.534 303 H MET 45 H MET 45 -4.911 0.361 -2.634 304 HA MET 45 HA MET 45 -5.189 0.046 0.235 305 HB2 MET 45 HB2 MET 45 -5.307 2.444 -1.658 306 HB3 MET 45 HB3 MET 45 -5.508 2.584 0.087 307 HG2 MET 45 HG2 MET 45 -3.040 1.389 -1.198 308 HG3 MET 45 HG3 MET 45 -3.183 3.096 -0.796 309 HE1 MET 45 HE1 MET 45 -4.909 2.867 1.908 310 HE2 MET 45 HE2 MET 45 -3.528 3.961 1.772 311 HE3 MET 45 HE3 MET 45 -3.642 2.848 3.138 312 H THR 46 H THR 46 -7.131 -0.527 1.090 313 HA THR 46 HA THR 46 -9.587 -0.466 -0.498 314 HB THR 46 HB THR 46 -9.318 -2.462 0.823 315 HG1 THR 46 HG1 THR 46 -11.164 -2.262 2.322 316 HG21 THR 46 HG21 THR 46 -9.033 -0.743 3.311 317 HG22 THR 46 HG22 THR 46 -7.739 -1.659 2.534 318 HG23 THR 46 HG23 THR 46 -9.097 -2.506 3.274 319 H GLU 47 H GLU 47 -11.567 0.556 0.189 320 HA GLU 47 HA GLU 47 -11.265 3.268 0.787 321 HB2 GLU 47 HB2 GLU 47 -13.216 2.177 -0.415 322 HB3 GLU 47 HB3 GLU 47 -13.839 1.687 1.157 323 HG2 GLU 47 HG2 GLU 47 -13.908 4.136 1.815 324 HG3 GLU 47 HG3 GLU 47 -13.438 4.526 0.157 325 H GLU 48 H GLU 48 -12.013 0.571 2.891 326 HA GLU 48 HA GLU 48 -12.749 1.715 5.305 327 HB2 GLU 48 HB2 GLU 48 -10.777 -0.590 4.972 328 HB3 GLU 48 HB3 GLU 48 -11.840 -0.313 6.352 329 HG2 GLU 48 HG2 GLU 48 -13.793 -0.833 5.015 330 HG3 GLU 48 HG3 GLU 48 -12.831 -0.908 3.545 331 H PHE 49 H PHE 49 -9.441 0.987 4.254 332 HA PHE 49 HA PHE 49 -8.141 2.470 6.367 333 HB2 PHE 49 HB2 PHE 49 -7.146 0.862 3.986 334 HB3 PHE 49 HB3 PHE 49 -6.041 1.729 5.043 335 HD1 PHE 49 HD2 PHE 49 -8.907 -0.702 5.312 336 HD2 PHE 49 HD1 PHE 49 -5.116 0.519 6.847 337 HE1 PHE 49 HE2 PHE 49 -8.930 -2.591 6.876 338 HE2 PHE 49 HE1 PHE 49 -5.154 -1.377 8.413 339 HZ PHE 49 HZ PHE 49 -7.057 -2.931 8.432 340 H LEU 50 H LEU 50 -9.040 3.191 3.044 341 HA LEU 50 HA LEU 50 -7.082 5.263 2.704 342 HB2 LEU 50 HB2 LEU 50 -7.859 3.652 0.879 343 HB3 LEU 50 HB3 LEU 50 -9.368 4.553 0.835 344 HG LEU 50 HG LEU 50 -8.107 6.602 0.241 345 HD11 LEU 50 HD11 LEU 50 -5.951 6.133 1.244 346 HD12 LEU 50 HD12 LEU 50 -5.752 6.468 -0.473 347 HD13 LEU 50 HD13 LEU 50 -5.679 4.802 0.112 348 HD21 LEU 50 HD21 LEU 50 -7.547 6.005 -2.092 349 HD22 LEU 50 HD22 LEU 50 -9.076 5.297 -1.576 350 HD23 LEU 50 HD23 LEU 50 -7.626 4.293 -1.664 351 H LEU 51 H LEU 51 -10.476 5.083 3.672 352 HA LEU 51 HA LEU 51 -11.145 7.841 3.403 353 HB2 LEU 51 HB2 LEU 51 -12.232 5.701 5.271 354 HB3 LEU 51 HB3 LEU 51 -12.849 7.338 5.271 355 HG LEU 51 HG LEU 51 -13.004 5.398 2.941 356 HD11 LEU 51 HD11 LEU 51 -14.554 4.807 4.737 357 HD12 LEU 51 HD12 LEU 51 -15.426 5.411 3.332 358 HD13 LEU 51 HD13 LEU 51 -15.207 6.449 4.745 359 HD21 LEU 51 HD21 LEU 51 -14.381 7.096 1.814 360 HD22 LEU 51 HD22 LEU 51 -12.744 7.676 2.109 361 HD23 LEU 51 HD23 LEU 51 -14.069 8.228 3.134 362 H PHE 52 H PHE 52 -9.507 6.015 5.991 363 HA PHE 52 HA PHE 52 -9.040 8.068 7.849 364 HB2 PHE 52 HB2 PHE 52 -8.469 5.788 8.414 365 HB3 PHE 52 HB3 PHE 52 -7.364 5.657 7.054 366 HD1 PHE 52 HD1 PHE 52 -7.803 7.852 10.095 367 HD2 PHE 52 HD2 PHE 52 -5.080 5.686 7.596 368 HE1 PHE 52 HE1 PHE 52 -5.932 8.510 11.550 369 HE2 PHE 52 HE2 PHE 52 -3.217 6.360 9.055 370 HZ PHE 52 HZ PHE 52 -3.640 7.769 11.031 371 H SER 53 H SER 53 -7.161 7.187 4.934 372 HA SER 53 HA SER 53 -5.232 9.296 5.099 373 HB2 SER 53 HB2 SER 53 -6.128 7.660 2.691 374 HB3 SER 53 HB3 SER 53 -4.711 8.717 2.719 375 HG SER 53 HG SER 53 -5.129 6.478 4.432 376 H ARG 54 H ARG 54 -8.482 9.128 3.790 377 HA ARG 54 HA ARG 54 -8.409 11.344 2.017 378 HB2 ARG 54 HB2 ARG 54 -10.130 9.537 1.925 379 HB3 ARG 54 HB3 ARG 54 -10.808 10.132 3.438 380 HG2 ARG 54 HG2 ARG 54 -11.152 12.382 2.168 381 HG3 ARG 54 HG3 ARG 54 -10.858 11.442 0.703 382 HD2 ARG 54 HD2 ARG 54 -13.250 11.625 1.097 383 HD3 ARG 54 HD3 ARG 54 -12.754 9.945 1.325 384 HE ARG 54 HE ARG 54 -12.644 11.107 3.828 385 HH11 ARG 54 HH11 ARG 54 -15.164 10.562 1.520 386 HH12 ARG 54 HH12 ARG 54 -16.385 10.474 2.735 387 HH21 ARG 54 HH21 ARG 54 -14.197 10.998 5.339 388 HH22 ARG 54 HH22 ARG 54 -15.841 10.717 4.880 389 H ASP 55 H ASP 55 -9.879 11.057 5.280 390 HA ASP 55 HA ASP 55 -10.388 13.847 5.628 391 HB2 ASP 55 HB2 ASP 55 -10.256 11.560 7.637 392 HB3 ASP 55 HB3 ASP 55 -10.835 13.182 8.018 393 H ARG 56 H ARG 56 -7.517 11.994 5.974 394 HA ARG 56 HA ARG 56 -6.013 13.770 7.670 395 HB2 ARG 56 HB2 ARG 56 -5.482 11.356 7.312 396 HB3 ARG 56 HB3 ARG 56 -5.084 11.697 5.633 397 HG2 ARG 56 HG2 ARG 56 -3.182 13.103 6.388 398 HG3 ARG 56 HG3 ARG 56 -3.586 12.735 8.072 399 HD2 ARG 56 HD2 ARG 56 -3.243 10.300 7.568 400 HD3 ARG 56 HD3 ARG 56 -2.734 10.738 5.935 401 HE ARG 56 HE ARG 56 -0.912 12.073 7.149 402 HH11 ARG 56 HH11 ARG 56 -2.216 9.144 8.467 403 HH12 ARG 56 HH12 ARG 56 -0.733 8.706 9.234 404 HH21 ARG 56 HH21 ARG 56 0.982 11.469 8.154 405 HH22 ARG 56 HH22 ARG 56 1.046 10.001 9.058 406 H GLY 57 H GLY 57 -6.932 13.783 4.328 407 HA2 GLY 57 HA2 GLY 57 -6.759 15.685 2.901 408 HA3 GLY 57 HA3 GLY 57 -5.305 16.189 3.748 409 H ASN 58 H ASN 58 -4.837 13.005 3.389 410 HA ASN 58 HA ASN 58 -3.195 13.282 0.951 411 HB2 ASN 58 HB2 ASN 58 -3.160 11.229 3.206 412 HB3 ASN 58 HB3 ASN 58 -2.062 11.206 1.830 413 HD21 ASN 58 HD21 ASN 58 -0.472 12.871 1.664 414 HD22 ASN 58 HD22 ASN 58 0.015 13.768 3.055 415 H ASP 59 H ASP 59 -5.997 13.006 0.578 416 HA ASP 59 HA ASP 59 -6.782 10.322 0.023 417 HB2 ASP 59 HB2 ASP 59 -8.714 11.418 -1.218 418 HB3 ASP 59 HB3 ASP 59 -8.539 11.866 0.467 419 H LEU 60 H LEU 60 -6.057 9.059 -1.565 420 HA LEU 60 HA LEU 60 -5.290 10.153 -4.198 421 HB2 LEU 60 HB2 LEU 60 -3.885 8.405 -2.883 422 HB3 LEU 60 HB3 LEU 60 -5.133 7.247 -3.309 423 HG LEU 60 HG LEU 60 -4.641 7.625 -5.735 424 HD11 LEU 60 HD11 LEU 60 -3.822 9.924 -5.653 425 HD12 LEU 60 HD12 LEU 60 -2.633 8.876 -6.421 426 HD13 LEU 60 HD13 LEU 60 -2.389 9.412 -4.755 427 HD21 LEU 60 HD21 LEU 60 -2.207 6.840 -4.095 428 HD22 LEU 60 HD22 LEU 60 -2.465 6.468 -5.804 429 HD23 LEU 60 HD23 LEU 60 -3.530 5.775 -4.583 430 H MET 61 H MET 61 -8.043 10.091 -3.114 431 HA MET 61 HA MET 61 -9.660 8.143 -4.431 432 HB2 MET 61 HB2 MET 61 -10.431 10.889 -3.328 433 HB3 MET 61 HB3 MET 61 -11.550 9.590 -3.731 434 HG2 MET 61 HG2 MET 61 -9.459 9.445 -1.550 435 HG3 MET 61 HG3 MET 61 -11.160 9.847 -1.300 436 HE1 MET 61 HE1 MET 61 -11.781 7.972 0.367 437 HE2 MET 61 HE2 MET 61 -10.061 7.586 0.463 438 HE3 MET 61 HE3 MET 61 -11.243 6.301 0.214 439 H THR 62 H THR 62 -9.205 11.647 -4.939 440 HA THR 62 HA THR 62 -9.739 13.121 -6.538 441 HB THR 62 HB THR 62 -9.048 10.906 -8.520 442 HG1 THR 62 HG1 THR 62 -6.980 11.387 -8.150 443 HG21 THR 62 HG21 THR 62 -8.439 12.738 -10.041 444 HG22 THR 62 HG22 THR 62 -8.903 13.934 -8.830 445 HG23 THR 62 HG23 THR 62 -10.132 12.902 -9.570 446 HA PRO 63 HA PRO 63 -14.153 11.797 -6.569 447 HB2 PRO 63 HB2 PRO 63 -15.116 14.407 -7.141 448 HB3 PRO 63 HB3 PRO 63 -14.873 13.719 -5.531 449 HG2 PRO 63 HG2 PRO 63 -13.035 15.481 -7.141 450 HG3 PRO 63 HG3 PRO 63 -13.406 15.543 -5.404 451 HD2 PRO 63 HD2 PRO 63 -11.104 14.485 -6.239 452 HD3 PRO 63 HD3 PRO 63 -12.003 13.697 -4.918 453 H ARG 64 H ARG 64 -12.930 14.083 -9.084 454 HA ARG 64 HA ARG 64 -13.361 14.356 -11.289 455 HB2 ARG 64 HB2 ARG 64 -13.475 11.341 -11.057 456 HB3 ARG 64 HB3 ARG 64 -13.735 12.122 -12.614 457 HG2 ARG 64 HG2 ARG 64 -11.530 12.917 -12.745 458 HG3 ARG 64 HG3 ARG 64 -11.261 12.770 -11.009 459 HD2 ARG 64 HD2 ARG 64 -11.615 10.376 -12.855 460 HD3 ARG 64 HD3 ARG 64 -10.042 11.071 -12.426 461 HE ARG 64 HE ARG 64 -11.510 10.527 -10.079 462 HH11 ARG 64 HH11 ARG 64 -9.908 8.698 -12.552 463 HH12 ARG 64 HH12 ARG 64 -9.414 7.475 -11.443 464 HH21 ARG 64 HH21 ARG 64 -10.844 8.963 -8.707 465 HH22 ARG 64 HH22 ARG 64 -9.931 7.622 -9.306 466 HA PRO 65 HA PRO 65 -17.938 14.490 -10.651 467 HB2 PRO 65 HB2 PRO 65 -18.332 17.109 -11.048 468 HB3 PRO 65 HB3 PRO 65 -17.476 16.541 -9.605 469 HG2 PRO 65 HG2 PRO 65 -16.329 17.657 -12.172 470 HG3 PRO 65 HG3 PRO 65 -15.898 18.057 -10.494 471 HD2 PRO 65 HD2 PRO 65 -14.500 16.240 -12.067 472 HD3 PRO 65 HD3 PRO 65 -14.504 16.218 -10.286 473 H GLU 66 H GLU 66 -16.501 13.842 -13.256 474 HA GLU 66 HA GLU 66 -17.980 15.236 -15.344 475 HB2 GLU 66 HB2 GLU 66 -15.855 13.070 -15.597 476 HB3 GLU 66 HB3 GLU 66 -16.403 14.164 -16.866 477 HG2 GLU 66 HG2 GLU 66 -14.845 14.931 -14.366 478 HG3 GLU 66 HG3 GLU 66 -14.179 14.770 -15.991 479 H PHE 67 H PHE 67 -17.127 11.815 -15.702 480 HA PHE 67 HA PHE 67 -19.885 10.888 -15.272 481 HB2 PHE 67 HB2 PHE 67 -18.354 10.327 -17.866 482 HB3 PHE 67 HB3 PHE 67 -19.911 9.638 -17.432 483 HD1 PHE 67 HD1 PHE 67 -21.949 11.159 -17.301 484 HD2 PHE 67 HD2 PHE 67 -18.211 12.495 -18.904 485 HE1 PHE 67 HE1 PHE 67 -23.086 13.053 -18.391 486 HE2 PHE 67 HE2 PHE 67 -19.358 14.382 -19.992 487 HZ PHE 67 HZ PHE 67 -21.792 14.664 -19.735 488 H ASN 68 H ASN 68 -17.151 9.270 -16.895 489 HA ASN 68 HA ASN 68 -16.121 8.010 -14.526 490 HB2 ASN 68 HB2 ASN 68 -16.513 5.648 -15.260 491 HB3 ASN 68 HB3 ASN 68 -18.006 6.487 -14.866 492 HD21 ASN 68 HD21 ASN 68 -17.501 4.120 -16.573 493 HD22 ASN 68 HD22 ASN 68 -18.204 4.503 -18.103 494 H PHE 69 H PHE 69 -14.001 8.065 -14.815 495 HA PHE 69 HA PHE 69 -12.788 7.825 -17.510 496 HB2 PHE 69 HB2 PHE 69 -12.402 10.054 -15.467 497 HB3 PHE 69 HB3 PHE 69 -11.149 9.696 -16.650 498 HD1 PHE 69 HD2 PHE 69 -14.679 10.855 -16.278 499 HD2 PHE 69 HD1 PHE 69 -11.377 10.360 -18.958 500 HE1 PHE 69 HE2 PHE 69 -15.835 12.222 -17.967 501 HE2 PHE 69 HE1 PHE 69 -12.543 11.727 -20.637 502 HZ PHE 69 HZ PHE 69 -14.768 12.662 -20.144 503 HA PRO 70 HA PRO 70 -9.983 4.872 -15.795 504 HB2 PRO 70 HB2 PRO 70 -7.613 5.356 -17.108 505 HB3 PRO 70 HB3 PRO 70 -9.027 4.630 -17.888 506 HG2 PRO 70 HG2 PRO 70 -8.142 7.525 -17.886 507 HG3 PRO 70 HG3 PRO 70 -8.631 6.515 -19.266 508 HD2 PRO 70 HD2 PRO 70 -10.363 8.238 -18.159 509 HD3 PRO 70 HD3 PRO 70 -10.918 6.639 -18.708 510 H GLY 71 H GLY 71 -7.650 4.569 -14.879 511 HA2 GLY 71 HA2 GLY 71 -5.872 5.720 -13.551 512 HA3 GLY 71 HA3 GLY 71 -7.157 6.701 -12.853 513 H LEU 72 H LEU 72 -7.267 6.075 -10.742 514 HA LEU 72 HA LEU 72 -8.223 3.380 -10.153 515 HB2 LEU 72 HB2 LEU 72 -6.665 2.867 -8.412 516 HB3 LEU 72 HB3 LEU 72 -5.728 3.257 -9.841 517 HG LEU 72 HG LEU 72 -6.183 5.273 -7.595 518 HD11 LEU 72 HD11 LEU 72 -3.969 4.700 -6.717 519 HD12 LEU 72 HD12 LEU 72 -3.829 3.384 -7.887 520 HD13 LEU 72 HD13 LEU 72 -5.070 3.326 -6.632 521 HD21 LEU 72 HD21 LEU 72 -5.482 6.259 -9.745 522 HD22 LEU 72 HD22 LEU 72 -4.075 5.193 -9.790 523 HD23 LEU 72 HD23 LEU 72 -4.215 6.422 -8.529 524 H LYS 73 H LYS 73 -8.694 3.258 -7.653 525 HA LYS 73 HA LYS 73 -9.423 5.693 -6.308 526 HB2 LYS 73 HB2 LYS 73 -11.880 5.328 -6.223 527 HB3 LYS 73 HB3 LYS 73 -11.329 5.645 -7.859 528 HG2 LYS 73 HG2 LYS 73 -11.874 2.833 -6.845 529 HG3 LYS 73 HG3 LYS 73 -13.134 3.848 -7.556 530 HD2 LYS 73 HD2 LYS 73 -11.779 4.016 -9.646 531 HD3 LYS 73 HD3 LYS 73 -10.568 2.951 -8.928 532 HE2 LYS 73 HE2 LYS 73 -12.268 1.145 -8.798 533 HE3 LYS 73 HE3 LYS 73 -13.449 2.219 -9.561 534 HZ1 LYS 73 HZ1 LYS 73 -12.462 0.766 -11.189 535 HZ2 LYS 73 HZ2 LYS 73 -10.900 1.264 -10.768 536 HZ3 LYS 73 HZ3 LYS 73 -11.969 2.359 -11.492 537 H ALA 74 H ALA 74 -11.128 4.891 -4.412 538 HA ALA 74 HA ALA 74 -9.585 3.348 -2.657 539 HB1 ALA 74 HB1 ALA 74 -11.184 5.089 -1.958 540 HB2 ALA 74 HB2 ALA 74 -11.429 3.573 -1.098 541 HB3 ALA 74 HB3 ALA 74 -12.526 4.033 -2.404 542 H GLY 75 H GLY 75 -9.167 1.258 -2.879 543 HA2 GLY 75 HA2 GLY 75 -9.493 -1.034 -2.892 544 HA3 GLY 75 HA3 GLY 75 -11.223 -0.789 -3.043 545 H ASP 76 H ASP 76 -8.345 0.047 -4.989 546 HA ASP 76 HA ASP 76 -9.241 -1.633 -7.210 547 HB2 ASP 76 HB2 ASP 76 -10.218 0.686 -7.545 548 HB3 ASP 76 HB3 ASP 76 -8.579 1.318 -7.628 549 H ARG 77 H ARG 77 -7.509 -2.940 -7.423 550 HA ARG 77 HA ARG 77 -4.814 -2.106 -6.749 551 HB2 ARG 77 HB2 ARG 77 -4.238 -4.518 -7.261 552 HB3 ARG 77 HB3 ARG 77 -5.487 -4.308 -6.040 553 HG2 ARG 77 HG2 ARG 77 -7.191 -4.725 -7.913 554 HG3 ARG 77 HG3 ARG 77 -5.827 -5.244 -8.906 555 HD2 ARG 77 HD2 ARG 77 -6.844 -7.206 -7.948 556 HD3 ARG 77 HD3 ARG 77 -5.298 -6.968 -7.132 557 HE ARG 77 HE ARG 77 -6.861 -5.749 -5.405 558 HH11 ARG 77 HH11 ARG 77 -7.582 -8.711 -7.041 559 HH12 ARG 77 HH12 ARG 77 -8.591 -9.275 -5.761 560 HH21 ARG 77 HH21 ARG 77 -8.176 -6.508 -3.799 561 HH22 ARG 77 HH22 ARG 77 -8.914 -8.061 -3.963 562 H TRP 78 H TRP 78 -4.201 -0.557 -8.260 563 HA TRP 78 HA TRP 78 -2.947 -1.365 -10.662 564 HB2 TRP 78 HB2 TRP 78 -5.486 -1.461 -11.312 565 HB3 TRP 78 HB3 TRP 78 -5.436 0.295 -11.278 566 HD1 TRP 78 HD1 TRP 78 -4.366 1.496 -13.421 567 HE1 TRP 78 HE1 TRP 78 -3.457 0.618 -15.662 568 HE3 TRP 78 HE3 TRP 78 -4.187 -3.510 -12.336 569 HZ2 TRP 78 HZ2 TRP 78 -2.768 -1.856 -16.829 570 HZ3 TRP 78 HZ3 TRP 78 -3.393 -5.067 -14.070 571 HH2 TRP 78 HH2 TRP 78 -2.698 -4.257 -16.273 572 H CYS 79 H CYS 79 -1.292 0.056 -10.796 573 HA CYS 79 HA CYS 79 0.015 1.925 -10.691 574 HB2 CYS 79 HB2 CYS 79 -1.374 2.470 -12.663 575 HB3 CYS 79 HB3 CYS 79 -2.544 3.275 -11.626 576 HG CYS 79 HG CYS 79 -1.185 5.505 -11.202 577 H LEU 80 H LEU 80 -0.437 1.340 -8.240 578 HA LEU 80 HA LEU 80 -1.740 3.499 -6.724 579 HB2 LEU 80 HB2 LEU 80 -2.209 1.061 -6.247 580 HB3 LEU 80 HB3 LEU 80 -0.537 0.856 -5.773 581 HG LEU 80 HG LEU 80 -2.276 0.985 -3.901 582 HD11 LEU 80 HD11 LEU 80 -0.904 2.229 -2.334 583 HD12 LEU 80 HD12 LEU 80 -0.002 2.956 -3.664 584 HD13 LEU 80 HD13 LEU 80 0.090 1.217 -3.383 585 HD21 LEU 80 HD21 LEU 80 -3.062 3.176 -3.160 586 HD22 LEU 80 HD22 LEU 80 -3.656 2.784 -4.771 587 HD23 LEU 80 HD23 LEU 80 -2.329 3.932 -4.579 588 H CYS 81 H CYS 81 -0.537 5.177 -5.969 589 HA CYS 81 HA CYS 81 2.262 5.452 -6.044 590 HB2 CYS 81 HB2 CYS 81 0.309 6.856 -4.161 591 HB3 CYS 81 HB3 CYS 81 1.933 7.413 -4.568 592 HG CYS 81 HG CYS 81 0.960 7.414 -7.436 593 H ALA 82 H ALA 82 3.758 4.258 -4.882 594 HA ALA 82 HA ALA 82 3.039 2.347 -2.963 595 HB1 ALA 82 HB1 ALA 82 5.033 2.171 -4.373 596 HB2 ALA 82 HB2 ALA 82 5.441 1.957 -2.669 597 HB3 ALA 82 HB3 ALA 82 5.792 3.487 -3.480 598 H SER 83 H SER 83 4.039 5.677 -2.462 599 HA SER 83 HA SER 83 4.622 5.539 0.332 600 HB2 SER 83 HB2 SER 83 3.788 7.936 -1.351 601 HB3 SER 83 HB3 SER 83 4.443 8.021 0.289 602 HG SER 83 HG SER 83 6.318 8.001 -0.629 603 H ARG 84 H ARG 84 1.625 5.921 -1.462 604 HA ARG 84 HA ARG 84 -0.123 6.788 0.577 605 HB2 ARG 84 HB2 ARG 84 -0.682 6.721 -1.862 606 HB3 ARG 84 HB3 ARG 84 -0.732 4.968 -1.794 607 HG2 ARG 84 HG2 ARG 84 -2.991 5.793 -1.813 608 HG3 ARG 84 HG3 ARG 84 -2.672 5.124 -0.212 609 HD2 ARG 84 HD2 ARG 84 -2.392 8.098 -0.770 610 HD3 ARG 84 HD3 ARG 84 -3.950 7.384 -0.375 611 HE ARG 84 HE ARG 84 -2.987 6.683 1.772 612 HH11 ARG 84 HH11 ARG 84 -1.283 9.177 0.088 613 HH12 ARG 84 HH12 ARG 84 -0.631 9.846 1.538 614 HH21 ARG 84 HH21 ARG 84 -2.164 7.587 3.608 615 HH22 ARG 84 HH22 ARG 84 -1.122 8.963 3.498 616 H TRP 85 H TRP 85 0.756 3.512 -0.475 617 HA TRP 85 HA TRP 85 -0.674 2.095 1.563 618 HB2 TRP 85 HB2 TRP 85 -0.328 0.583 -0.123 619 HB3 TRP 85 HB3 TRP 85 1.099 1.417 -0.720 620 HD1 TRP 85 HD1 TRP 85 3.286 0.127 -0.442 621 HE1 TRP 85 HE1 TRP 85 4.131 -1.791 1.033 622 HE3 TRP 85 HE3 TRP 85 -0.865 -0.617 2.447 623 HZ2 TRP 85 HZ2 TRP 85 3.195 -3.405 3.133 624 HZ3 TRP 85 HZ3 TRP 85 -0.806 -2.373 4.163 625 HH2 TRP 85 HH2 TRP 85 1.186 -3.744 4.501 626 H GLN 86 H GLN 86 2.728 3.043 1.172 627 HA GLN 86 HA GLN 86 3.866 1.809 3.396 628 HB2 GLN 86 HB2 GLN 86 5.225 2.776 1.597 629 HB3 GLN 86 HB3 GLN 86 4.685 4.395 2.000 630 HG2 GLN 86 HG2 GLN 86 6.957 4.056 2.795 631 HG3 GLN 86 HG3 GLN 86 5.872 4.273 4.164 632 HE21 GLN 86 HE21 GLN 86 5.426 2.480 5.495 633 HE22 GLN 86 HE22 GLN 86 6.441 1.087 5.518 634 H GLU 87 H GLU 87 2.393 5.033 3.153 635 HA GLU 87 HA GLU 87 2.935 6.089 5.674 636 HB2 GLU 87 HB2 GLU 87 1.904 7.346 3.782 637 HB3 GLU 87 HB3 GLU 87 0.409 6.457 4.007 638 HG2 GLU 87 HG2 GLU 87 0.075 8.582 5.007 639 HG3 GLU 87 HG3 GLU 87 0.269 7.440 6.337 640 H ALA 88 H ALA 88 0.188 4.067 4.645 641 HA ALA 88 HA ALA 88 -1.214 3.960 7.095 642 HB1 ALA 88 HB1 ALA 88 -2.382 2.023 6.123 643 HB2 ALA 88 HB2 ALA 88 -1.150 1.909 4.859 644 HB3 ALA 88 HB3 ALA 88 -2.209 3.319 4.936 645 H PHE 89 H PHE 89 1.436 1.923 5.810 646 HA PHE 89 HA PHE 89 1.381 0.014 7.950 647 HB2 PHE 89 HB2 PHE 89 2.357 -0.456 5.675 648 HB3 PHE 89 HB3 PHE 89 3.716 0.593 6.073 649 HD1 PHE 89 HD2 PHE 89 2.049 -2.628 6.875 650 HD2 PHE 89 HD1 PHE 89 5.472 -0.171 7.610 651 HE1 PHE 89 HE2 PHE 89 3.157 -4.497 8.007 652 HE2 PHE 89 HE1 PHE 89 6.571 -2.052 8.750 653 HZ PHE 89 HZ PHE 89 5.413 -4.216 8.946 654 H GLU 90 H GLU 90 3.122 3.070 7.448 655 HA GLU 90 HA GLU 90 4.939 2.823 9.652 656 HB2 GLU 90 HB2 GLU 90 3.990 5.298 8.141 657 HB3 GLU 90 HB3 GLU 90 5.318 5.294 9.303 658 HG2 GLU 90 HG2 GLU 90 6.582 3.747 7.899 659 HG3 GLU 90 HG3 GLU 90 5.249 3.643 6.756 660 H ALA 91 H ALA 91 1.608 3.852 9.426 661 HA ALA 91 HA ALA 91 1.396 4.857 12.149 662 HB1 ALA 91 HB1 ALA 91 -1.020 4.910 11.718 663 HB2 ALA 91 HB2 ALA 91 -0.798 3.975 10.234 664 HB3 ALA 91 HB3 ALA 91 -0.145 5.607 10.353 665 H GLY 92 H GLY 92 1.721 1.748 10.847 666 HA2 GLY 92 HA2 GLY 92 1.628 -0.352 11.837 667 HA3 GLY 92 HA3 GLY 92 0.924 0.366 13.278 668 H MET 93 H MET 93 -0.684 1.287 10.439 669 HA MET 93 HA MET 93 -3.075 -0.200 11.199 670 HB2 MET 93 HB2 MET 93 -3.033 2.298 10.815 671 HB3 MET 93 HB3 MET 93 -2.697 1.999 9.116 672 HG2 MET 93 HG2 MET 93 -4.864 0.910 8.864 673 HG3 MET 93 HG3 MET 93 -5.197 1.132 10.584 674 HE1 MET 93 HE1 MET 93 -7.523 2.394 10.082 675 HE2 MET 93 HE2 MET 93 -7.250 2.048 8.373 676 HE3 MET 93 HE3 MET 93 -7.671 3.682 8.887 677 H ALA 94 H ALA 94 -2.127 0.694 7.860 678 HA ALA 94 HA ALA 94 -1.564 -0.402 5.986 679 HB1 ALA 94 HB1 ALA 94 -0.710 -2.651 7.804 680 HB2 ALA 94 HB2 ALA 94 0.258 -1.240 7.392 681 HB3 ALA 94 HB3 ALA 94 -0.188 -2.396 6.137 682 HA PRO 95 HA PRO 95 -5.209 -3.076 4.998 683 HB2 PRO 95 HB2 PRO 95 -5.291 -2.516 2.336 684 HB3 PRO 95 HB3 PRO 95 -5.877 -1.363 3.547 685 HG2 PRO 95 HG2 PRO 95 -3.180 -1.451 2.173 686 HG3 PRO 95 HG3 PRO 95 -4.289 -0.071 2.355 687 HD2 PRO 95 HD2 PRO 95 -2.183 -0.421 4.024 688 HD3 PRO 95 HD3 PRO 95 -3.721 0.261 4.605 689 HA PRO 96 HA PRO 96 -3.091 -6.713 3.153 690 HB2 PRO 96 HB2 PRO 96 -5.012 -7.828 1.533 691 HB3 PRO 96 HB3 PRO 96 -5.057 -7.946 3.298 692 HG2 PRO 96 HG2 PRO 96 -6.519 -6.028 1.483 693 HG3 PRO 96 HG3 PRO 96 -7.148 -6.952 2.867 694 HD2 PRO 96 HD2 PRO 96 -6.471 -4.334 3.085 695 HD3 PRO 96 HD3 PRO 96 -6.235 -5.469 4.432 696 H VAL 97 H VAL 97 -1.452 -6.152 1.800 697 HA VAL 97 HA VAL 97 -1.995 -4.964 -0.834 698 HB VAL 97 HB VAL 97 -0.362 -3.778 0.548 699 HG11 VAL 97 HG11 VAL 97 1.815 -4.735 1.175 700 HG12 VAL 97 HG12 VAL 97 1.329 -6.301 0.513 701 HG13 VAL 97 HG13 VAL 97 0.483 -5.632 1.912 702 HG21 VAL 97 HG21 VAL 97 0.989 -5.108 -1.836 703 HG22 VAL 97 HG22 VAL 97 1.506 -3.607 -1.065 704 HG23 VAL 97 HG23 VAL 97 -0.050 -3.680 -1.891 705 H VAL 98 H VAL 98 -1.641 -6.006 -2.700 706 HA VAL 98 HA VAL 98 -1.491 -8.842 -2.804 707 HB VAL 98 HB VAL 98 -1.336 -8.438 -5.388 708 HG11 VAL 98 HG11 VAL 98 -3.702 -7.860 -5.564 709 HG12 VAL 98 HG12 VAL 98 -3.719 -7.321 -3.882 710 HG13 VAL 98 HG13 VAL 98 -3.432 -9.022 -4.264 711 HG21 VAL 98 HG21 VAL 98 -0.442 -6.137 -5.321 712 HG22 VAL 98 HG22 VAL 98 -1.900 -5.575 -4.500 713 HG23 VAL 98 HG23 VAL 98 -1.996 -6.177 -6.159 714 H LEU 99 H LEU 99 0.491 -9.686 -2.061 715 HA LEU 99 HA LEU 99 3.041 -8.932 -3.180 716 HB2 LEU 99 HB2 LEU 99 2.086 -11.135 -1.371 717 HB3 LEU 99 HB3 LEU 99 3.640 -11.352 -2.151 718 HG LEU 99 HG LEU 99 3.738 -10.383 0.195 719 HD11 LEU 99 HD11 LEU 99 4.955 -8.644 -1.986 720 HD12 LEU 99 HD12 LEU 99 5.635 -10.151 -1.365 721 HD13 LEU 99 HD13 LEU 99 5.492 -8.753 -0.304 722 HD21 LEU 99 HD21 LEU 99 2.631 -7.879 -1.123 723 HD22 LEU 99 HD22 LEU 99 3.188 -8.041 0.546 724 HD23 LEU 99 HD23 LEU 99 1.757 -8.914 0.010 725 H GLN 100 H GLN 100 0.498 -10.803 -4.367 726 HA GLN 100 HA GLN 100 1.980 -12.450 -6.233 727 HB2 GLN 100 HB2 GLN 100 -0.258 -13.137 -7.000 728 HB3 GLN 100 HB3 GLN 100 -0.153 -13.195 -5.243 729 HG2 GLN 100 HG2 GLN 100 -1.318 -10.953 -5.174 730 HG3 GLN 100 HG3 GLN 100 -1.556 -11.089 -6.920 731 HE21 GLN 100 HE21 GLN 100 -2.468 -12.306 -3.802 732 HE22 GLN 100 HE22 GLN 100 -3.852 -13.197 -4.322 733 H SER 101 H SER 101 1.086 -9.146 -6.224 734 HA SER 101 HA SER 101 1.230 -8.951 -9.182 735 HB2 SER 101 HB2 SER 101 -1.141 -8.763 -8.523 736 HB3 SER 101 HB3 SER 101 -0.751 -7.437 -7.435 737 HG SER 101 HG SER 101 -1.219 -7.380 -10.090 738 H THR 102 H THR 102 1.907 -7.387 -6.053 739 HA THR 102 HA THR 102 3.139 -5.033 -6.896 740 HB THR 102 HB THR 102 4.754 -5.333 -4.899 741 HG1 THR 102 HG1 THR 102 4.852 -7.337 -4.250 742 HG21 THR 102 HG21 THR 102 3.025 -4.885 -3.211 743 HG22 THR 102 HG22 THR 102 1.776 -5.445 -4.329 744 HG23 THR 102 HG23 THR 102 2.710 -3.991 -4.701 745 H GLU 103 H GLU 103 4.375 -5.008 -8.646 746 HA GLU 103 HA GLU 103 6.567 -6.597 -9.400 747 HB2 GLU 103 HB2 GLU 103 5.649 -5.131 -11.017 748 HB3 GLU 103 HB3 GLU 103 5.635 -3.761 -9.927 749 HG2 GLU 103 HG2 GLU 103 7.219 -3.414 -11.721 750 HG3 GLU 103 HG3 GLU 103 8.048 -3.501 -10.167 751 H LYS 104 H LYS 104 8.793 -6.489 -8.932 752 HA LYS 104 HA LYS 104 9.609 -5.716 -6.343 753 HB2 LYS 104 HB2 LYS 104 11.931 -6.304 -7.100 754 HB3 LYS 104 HB3 LYS 104 10.731 -7.546 -7.445 755 HG2 LYS 104 HG2 LYS 104 10.626 -6.891 -9.772 756 HG3 LYS 104 HG3 LYS 104 11.692 -5.516 -9.488 757 HD2 LYS 104 HD2 LYS 104 12.559 -8.392 -9.031 758 HD3 LYS 104 HD3 LYS 104 12.710 -7.585 -10.589 759 HE2 LYS 104 HE2 LYS 104 14.137 -5.839 -9.488 760 HE3 LYS 104 HE3 LYS 104 14.067 -6.784 -7.997 761 HZ1 LYS 104 HZ1 LYS 104 15.138 -7.766 -10.589 762 HZ2 LYS 104 HZ2 LYS 104 15.150 -8.596 -9.117 763 HZ3 LYS 104 HZ3 LYS 104 16.073 -7.198 -9.301 764 H SER 105 H SER 105 9.562 -3.795 -9.251 765 HA SER 105 HA SER 105 11.408 -1.765 -8.639 766 HB2 SER 105 HB2 SER 105 8.730 -1.566 -10.062 767 HB3 SER 105 HB3 SER 105 9.932 -0.270 -10.040 768 HG SER 105 HG SER 105 10.052 -2.799 -11.285 769 H ALA 106 H ALA 106 8.256 -2.381 -7.231 770 HA ALA 106 HA ALA 106 7.774 0.018 -5.842 771 HB1 ALA 106 HB1 ALA 106 7.052 -2.812 -5.016 772 HB2 ALA 106 HB2 ALA 106 6.104 -1.772 -6.079 773 HB3 ALA 106 HB3 ALA 106 6.318 -1.332 -4.384 774 H LEU 107 H LEU 107 10.055 -2.546 -5.166 775 HA LEU 107 HA LEU 107 10.382 -2.143 -2.356 776 HB2 LEU 107 HB2 LEU 107 11.896 -3.722 -4.435 777 HB3 LEU 107 HB3 LEU 107 12.566 -3.549 -2.824 778 HG LEU 107 HG LEU 107 10.650 -4.704 -1.828 779 HD11 LEU 107 HD11 LEU 107 8.864 -5.731 -3.160 780 HD12 LEU 107 HD12 LEU 107 9.486 -4.956 -4.620 781 HD13 LEU 107 HD13 LEU 107 8.839 -3.974 -3.304 782 HD21 LEU 107 HD21 LEU 107 11.750 -6.263 -4.195 783 HD22 LEU 107 HD22 LEU 107 11.009 -6.950 -2.746 784 HD23 LEU 107 HD23 LEU 107 12.532 -6.074 -2.622 785 H ARG 108 H ARG 108 11.373 -0.082 -4.791 786 HA ARG 108 HA ARG 108 13.661 1.016 -3.335 787 HB2 ARG 108 HB2 ARG 108 12.139 2.021 -5.767 788 HB3 ARG 108 HB3 ARG 108 13.554 2.825 -5.085 789 HG2 ARG 108 HG2 ARG 108 14.948 0.882 -5.605 790 HG3 ARG 108 HG3 ARG 108 13.538 -0.005 -6.195 791 HD2 ARG 108 HD2 ARG 108 14.881 0.913 -8.049 792 HD3 ARG 108 HD3 ARG 108 13.259 1.607 -8.021 793 HE ARG 108 HE ARG 108 15.655 3.005 -6.978 794 HH11 ARG 108 HH11 ARG 108 12.654 3.141 -8.705 795 HH12 ARG 108 HH12 ARG 108 12.843 4.815 -9.076 796 HH21 ARG 108 HH21 ARG 108 15.848 5.121 -7.458 797 HH22 ARG 108 HH22 ARG 108 14.631 5.923 -8.388 798 H TYR 109 H TYR 109 10.234 1.604 -3.705 799 HA TYR 109 HA TYR 109 10.261 4.212 -2.349 800 HB2 TYR 109 HB2 TYR 109 7.961 2.610 -3.571 801 HB3 TYR 109 HB3 TYR 109 7.869 4.279 -3.013 802 HD1 TYR 109 HD1 TYR 109 9.492 2.079 -5.593 803 HD2 TYR 109 HD2 TYR 109 8.467 6.084 -4.485 804 HE1 TYR 109 HE1 TYR 109 10.145 2.871 -7.831 805 HE2 TYR 109 HE2 TYR 109 9.130 6.870 -6.712 806 HH TYR 109 HH TYR 109 10.555 6.190 -8.556 807 H VAL 110 H VAL 110 8.597 1.075 -2.036 808 HA VAL 110 HA VAL 110 8.419 1.366 0.905 809 HB VAL 110 HB VAL 110 6.321 0.829 -0.535 810 HG11 VAL 110 HG11 VAL 110 7.590 -1.930 -0.718 811 HG12 VAL 110 HG12 VAL 110 7.345 -0.817 -2.069 812 HG13 VAL 110 HG13 VAL 110 5.953 -1.504 -1.229 813 HG21 VAL 110 HG21 VAL 110 6.284 0.516 1.887 814 HG22 VAL 110 HG22 VAL 110 7.006 -1.087 1.716 815 HG23 VAL 110 HG23 VAL 110 5.387 -0.777 1.090 816 H SER 111 H SER 111 8.868 -0.954 2.045 817 HA SER 111 HA SER 111 10.982 -2.442 0.556 818 HB2 SER 111 HB2 SER 111 10.642 -2.229 3.576 819 HB3 SER 111 HB3 SER 111 11.903 -3.139 2.741 820 HG SER 111 HG SER 111 11.738 -0.465 3.289 821 H LEU 112 H LEU 112 10.972 -4.738 0.705 822 HA LEU 112 HA LEU 112 8.509 -6.005 0.413 823 HB2 LEU 112 HB2 LEU 112 10.445 -6.931 -0.612 824 HB3 LEU 112 HB3 LEU 112 11.272 -7.083 0.910 825 HG LEU 112 HG LEU 112 8.790 -8.762 0.530 826 HD11 LEU 112 HD11 LEU 112 11.446 -9.500 -0.739 827 HD12 LEU 112 HD12 LEU 112 9.963 -9.085 -1.602 828 HD13 LEU 112 HD13 LEU 112 10.022 -10.543 -0.613 829 HD21 LEU 112 HD21 LEU 112 11.458 -9.313 1.891 830 HD22 LEU 112 HD22 LEU 112 10.088 -10.430 1.843 831 HD23 LEU 112 HD23 LEU 112 9.937 -8.891 2.691 832 H ALA 113 H ALA 113 10.506 -5.742 3.330 833 HA ALA 113 HA ALA 113 9.154 -7.584 4.987 834 HB1 ALA 113 HB1 ALA 113 11.325 -6.563 5.554 835 HB2 ALA 113 HB2 ALA 113 10.164 -6.330 6.863 836 HB3 ALA 113 HB3 ALA 113 10.549 -4.993 5.773 837 H ASP 114 H ASP 114 8.372 -4.202 4.200 838 HA ASP 114 HA ASP 114 6.230 -3.834 6.059 839 HB2 ASP 114 HB2 ASP 114 6.716 -2.481 3.362 840 HB3 ASP 114 HB3 ASP 114 5.619 -1.906 4.623 841 H LEU 115 H LEU 115 6.477 -5.154 2.815 842 HA LEU 115 HA LEU 115 3.713 -5.216 2.116 843 HB2 LEU 115 HB2 LEU 115 6.021 -6.896 1.061 844 HB3 LEU 115 HB3 LEU 115 4.450 -6.725 0.296 845 HG LEU 115 HG LEU 115 6.526 -4.522 0.608 846 HD11 LEU 115 HD11 LEU 115 5.624 -6.034 -1.866 847 HD12 LEU 115 HD12 LEU 115 7.184 -6.194 -1.051 848 HD13 LEU 115 HD13 LEU 115 6.755 -4.675 -1.834 849 HD21 LEU 115 HD21 LEU 115 4.266 -3.600 0.702 850 HD22 LEU 115 HD22 LEU 115 3.839 -4.439 -0.792 851 HD23 LEU 115 HD23 LEU 115 5.065 -3.167 -0.806 852 H GLN 116 H GLN 116 6.008 -7.658 3.271 853 HA GLN 116 HA GLN 116 4.177 -9.861 3.219 854 HB2 GLN 116 HB2 GLN 116 6.970 -9.628 4.401 855 HB3 GLN 116 HB3 GLN 116 6.101 -11.131 4.161 856 HG2 GLN 116 HG2 GLN 116 6.050 -9.960 1.623 857 HG3 GLN 116 HG3 GLN 116 7.628 -9.508 2.237 858 HE21 GLN 116 HE21 GLN 116 6.980 -11.332 0.037 859 HE22 GLN 116 HE22 GLN 116 7.702 -12.845 0.445 860 H ALA 117 H ALA 117 5.267 -7.641 5.704 861 HA ALA 117 HA ALA 117 4.320 -9.041 8.001 862 HB1 ALA 117 HB1 ALA 117 5.916 -7.197 8.161 863 HB2 ALA 117 HB2 ALA 117 4.492 -6.869 9.155 864 HB3 ALA 117 HB3 ALA 117 4.690 -6.064 7.594 865 H HIS 118 H HIS 118 2.540 -7.316 5.547 866 HA HIS 118 HA HIS 118 0.028 -7.907 7.008 867 HB2 HIS 118 HB2 HIS 118 0.894 -5.276 5.917 868 HB3 HIS 118 HB3 HIS 118 -0.733 -5.735 5.433 869 HD1 HIS 118 HD1 HIS 118 1.277 -4.780 8.459 870 HD2 HIS 118 HD2 HIS 118 -2.629 -5.811 7.503 871 HE1 HIS 118 HE1 HIS 118 -0.087 -4.201 10.487 872 HE2 HIS 118 HE2 HIS 118 -2.401 -5.011 9.949 873 H ALA 119 H ALA 119 1.716 -9.140 4.737 874 HA ALA 119 HA ALA 119 -0.373 -9.630 2.749 875 HB1 ALA 119 HB1 ALA 119 1.997 -9.503 2.058 876 HB2 ALA 119 HB2 ALA 119 1.310 -11.088 1.696 877 HB3 ALA 119 HB3 ALA 119 2.377 -10.881 3.090 878 H LEU 120 H LEU 120 -0.141 -12.360 2.297 879 HA LEU 120 HA LEU 120 -1.437 -13.786 4.341 880 HB2 LEU 120 HB2 LEU 120 0.137 -14.618 1.894 881 HB3 LEU 120 HB3 LEU 120 -0.362 -15.842 3.041 882 HG LEU 120 HG LEU 120 -1.943 -15.754 1.200 883 HD11 LEU 120 HD11 LEU 120 -2.809 -16.334 3.413 884 HD12 LEU 120 HD12 LEU 120 -4.032 -15.520 2.438 885 HD13 LEU 120 HD13 LEU 120 -3.200 -14.639 3.725 886 HD21 LEU 120 HD21 LEU 120 -2.448 -12.845 1.918 887 HD22 LEU 120 HD22 LEU 120 -3.335 -13.789 0.716 888 HD23 LEU 120 HD23 LEU 120 -1.627 -13.434 0.470 889 HA PRO 121 HA PRO 121 1.554 -14.573 7.520 890 HB2 PRO 121 HB2 PRO 121 0.656 -17.438 7.634 891 HB3 PRO 121 HB3 PRO 121 0.663 -16.212 8.903 892 HG2 PRO 121 HG2 PRO 121 -1.638 -16.925 7.764 893 HG3 PRO 121 HG3 PRO 121 -1.321 -15.219 8.151 894 HD2 PRO 121 HD2 PRO 121 -1.120 -16.618 5.481 895 HD3 PRO 121 HD3 PRO 121 -1.832 -15.037 5.875 896 H VAL 122 H VAL 122 3.339 -14.364 5.966 897 HA VAL 122 HA VAL 122 4.877 -16.846 5.441 898 HB VAL 122 HB VAL 122 5.404 -14.038 4.328 899 HG11 VAL 122 HG11 VAL 122 6.570 -16.725 3.485 900 HG12 VAL 122 HG12 VAL 122 7.420 -15.472 4.394 901 HG13 VAL 122 HG13 VAL 122 6.918 -15.165 2.731 902 HG21 VAL 122 HG21 VAL 122 4.019 -16.357 2.918 903 HG22 VAL 122 HG22 VAL 122 4.476 -14.824 2.169 904 HG23 VAL 122 HG23 VAL 122 3.253 -14.854 3.440 905 H LEU 123 H LEU 123 5.729 -17.159 7.508 906 HA LEU 123 HA LEU 123 6.995 -15.027 8.992 907 HB2 LEU 123 HB2 LEU 123 7.597 -16.947 10.611 908 HB3 LEU 123 HB3 LEU 123 5.936 -16.421 10.439 909 HG LEU 123 HG LEU 123 5.862 -18.483 8.682 910 HD11 LEU 123 HD11 LEU 123 7.101 -20.426 9.496 911 HD12 LEU 123 HD12 LEU 123 7.962 -19.410 10.657 912 HD13 LEU 123 HD13 LEU 123 8.191 -19.162 8.925 913 HD21 LEU 123 HD21 LEU 123 4.845 -19.838 10.437 914 HD22 LEU 123 HD22 LEU 123 4.369 -18.143 10.580 915 HD23 LEU 123 HD23 LEU 123 5.581 -18.810 11.676 916 H GLU 124 H GLU 124 8.879 -14.254 8.315 917 HA GLU 124 HA GLU 124 10.983 -16.091 7.317 918 HB2 GLU 124 HB2 GLU 124 10.315 -14.284 5.765 919 HB3 GLU 124 HB3 GLU 124 10.746 -13.071 6.961 920 HG2 GLU 124 HG2 GLU 124 12.459 -13.352 5.174 921 HG3 GLU 124 HG3 GLU 124 13.088 -13.631 6.798 922 H HIS 125 H HIS 125 12.954 -16.198 8.259 923 HA HIS 125 HA HIS 125 13.259 -15.020 10.965 924 HB2 HIS 125 HB2 HIS 125 14.507 -17.086 11.524 925 HB3 HIS 125 HB3 HIS 125 12.895 -17.465 10.927 926 HD1 HIS 125 HD1 HIS 125 16.518 -17.597 9.900 927 HD2 HIS 125 HD2 HIS 125 12.833 -19.012 8.594 928 HE1 HIS 125 HE1 HIS 125 17.033 -19.176 8.024 929 HE2 HIS 125 HE2 HIS 125 14.786 -19.868 7.135 930 H HIS 126 H HIS 126 14.478 -14.361 7.992 931 HA HIS 126 HA HIS 126 17.282 -14.644 8.195 932 HB2 HIS 126 HB2 HIS 126 15.597 -12.714 6.571 933 HB3 HIS 126 HB3 HIS 126 17.354 -12.701 6.484 934 HD1 HIS 126 HD1 HIS 126 15.568 -13.344 4.046 935 HD2 HIS 126 HD2 HIS 126 17.344 -16.195 6.493 936 HE1 HIS 126 HE1 HIS 126 15.752 -15.409 2.635 937 HE2 HIS 126 HE2 HIS 126 16.970 -17.064 4.089 938 H HIS 127 H HIS 127 18.570 -13.863 9.713 939 HA HIS 127 HA HIS 127 18.956 -11.042 10.086 940 HB2 HIS 127 HB2 HIS 127 18.551 -10.871 12.477 941 HB3 HIS 127 HB3 HIS 127 17.088 -11.506 11.737 942 HD1 HIS 127 HD1 HIS 127 16.454 -13.982 12.296 943 HD2 HIS 127 HD2 HIS 127 19.817 -12.602 14.307 944 HE1 HIS 127 HE1 HIS 127 16.913 -15.678 14.079 945 HE2 HIS 127 HE2 HIS 127 18.840 -14.743 15.379 946 H HIS 128 H HIS 128 20.836 -10.596 11.513 947 HA HIS 128 HA HIS 128 22.523 -12.692 12.503 948 HB2 HIS 128 HB2 HIS 128 24.518 -12.125 11.022 949 HB3 HIS 128 HB3 HIS 128 23.222 -12.995 10.218 950 HD1 HIS 128 HD1 HIS 128 22.226 -11.943 8.165 951 HD2 HIS 128 HD2 HIS 128 24.667 -9.298 10.248 952 HE1 HIS 128 HE1 HIS 128 22.489 -9.951 6.665 953 HE2 HIS 128 HE2 HIS 128 23.808 -8.298 8.015 954 H HIS 129 H HIS 129 24.569 -11.800 13.433 955 HA HIS 129 HA HIS 129 24.150 -9.194 14.703 956 HB2 HIS 129 HB2 HIS 129 24.867 -11.206 16.021 957 HB3 HIS 129 HB3 HIS 129 26.359 -11.272 15.098 958 HD1 HIS 129 HD1 HIS 129 28.166 -9.451 15.629 959 HD2 HIS 129 HD2 HIS 129 24.818 -9.319 18.091 960 HE1 HIS 129 HE1 HIS 129 28.805 -7.985 17.553 961 HE2 HIS 129 HE2 HIS 129 26.816 -8.004 19.077 962 H HIS 130 H HIS 130 25.406 -7.339 14.282 963 HA HIS 130 HA HIS 130 27.404 -7.469 12.129 964 HB2 HIS 130 HB2 HIS 130 27.438 -4.946 12.272 965 HB3 HIS 130 HB3 HIS 130 25.892 -5.641 11.831 966 HD1 HIS 130 HD1 HIS 130 23.935 -5.348 13.483 967 HD2 HIS 130 HD2 HIS 130 27.445 -3.475 14.681 968 HE1 HIS 130 HE1 HIS 130 23.266 -3.787 15.326 969 HE2 HIS 130 HE2 HIS 130 25.420 -2.803 16.142 Start of MODEL 3 1 H1 MET 1 H1 MET 1 13.717 28.799 -38.935 2 H2 MET 1 H2 MET 1 15.092 29.162 -39.846 3 H3 MET 1 H3 MET 1 15.251 28.576 -38.265 4 HA MET 1 HA MET 1 14.108 27.086 -40.560 5 HB2 MET 1 HB2 MET 1 16.784 26.775 -39.130 6 HB3 MET 1 HB3 MET 1 16.165 25.653 -40.334 7 HG2 MET 1 HG2 MET 1 16.231 27.428 -42.030 8 HG3 MET 1 HG3 MET 1 16.851 28.560 -40.824 9 HE1 MET 1 HE1 MET 1 20.002 27.860 -43.120 10 HE2 MET 1 HE2 MET 1 18.968 29.116 -42.442 11 HE3 MET 1 HE3 MET 1 18.323 27.991 -43.641 12 H GLY 2 H GLY 2 14.491 24.559 -39.848 13 HA2 GLY 2 HA2 GLY 2 12.499 24.112 -37.817 14 HA3 GLY 2 HA3 GLY 2 13.341 22.893 -38.755 15 H GLN 3 H GLN 3 13.405 24.797 -35.809 16 HA GLN 3 HA GLN 3 15.804 23.612 -34.697 17 HB2 GLN 3 HB2 GLN 3 13.579 25.240 -33.389 18 HB3 GLN 3 HB3 GLN 3 15.106 24.812 -32.616 19 HG2 GLN 3 HG2 GLN 3 16.347 26.150 -34.246 20 HG3 GLN 3 HG3 GLN 3 14.862 26.519 -35.120 21 HE21 GLN 3 HE21 GLN 3 13.388 28.017 -34.198 22 HE22 GLN 3 HE22 GLN 3 13.858 29.079 -32.921 23 H GLY 4 H GLY 4 15.843 21.514 -34.057 24 HA2 GLY 4 HA2 GLY 4 13.614 20.340 -32.518 25 HA3 GLY 4 HA3 GLY 4 14.047 19.582 -34.045 26 H GLN 5 H GLN 5 14.134 17.949 -32.031 27 HA GLN 5 HA GLN 5 16.733 17.911 -30.674 28 HB2 GLN 5 HB2 GLN 5 14.319 16.062 -30.422 29 HB3 GLN 5 HB3 GLN 5 15.792 15.912 -29.476 30 HG2 GLN 5 HG2 GLN 5 14.174 16.946 -28.077 31 HG3 GLN 5 HG3 GLN 5 15.319 18.208 -28.525 32 HE21 GLN 5 HE21 GLN 5 14.589 19.943 -29.770 33 HE22 GLN 5 HE22 GLN 5 12.920 20.219 -30.116 34 H ASN 6 H ASN 6 18.385 16.622 -31.267 35 HA ASN 6 HA ASN 6 18.030 14.303 -33.049 36 HB2 ASN 6 HB2 ASN 6 18.432 16.305 -34.513 37 HB3 ASN 6 HB3 ASN 6 19.949 16.597 -33.675 38 HD21 ASN 6 HD21 ASN 6 18.592 13.484 -34.774 39 HD22 ASN 6 HD22 ASN 6 19.882 13.134 -35.861 40 H VAL 7 H VAL 7 19.980 12.919 -33.162 41 HA VAL 7 HA VAL 7 21.662 11.710 -32.415 42 HB VAL 7 HB VAL 7 22.566 14.039 -30.676 43 HG11 VAL 7 HG11 VAL 7 24.789 12.932 -30.820 44 HG12 VAL 7 HG12 VAL 7 24.050 11.606 -31.724 45 HG13 VAL 7 HG13 VAL 7 23.583 11.897 -30.049 46 HG21 VAL 7 HG21 VAL 7 22.411 14.777 -33.027 47 HG22 VAL 7 HG22 VAL 7 23.370 13.389 -33.547 48 HG23 VAL 7 HG23 VAL 7 24.101 14.639 -32.536 49 H LEU 8 H LEU 8 20.077 13.471 -29.715 50 HA LEU 8 HA LEU 8 20.742 11.639 -27.680 51 HB2 LEU 8 HB2 LEU 8 19.121 12.917 -26.315 52 HB3 LEU 8 HB3 LEU 8 20.246 13.940 -27.184 53 HG LEU 8 HG LEU 8 18.095 13.881 -28.947 54 HD11 LEU 8 HD11 LEU 8 16.877 13.965 -26.186 55 HD12 LEU 8 HD12 LEU 8 16.692 12.676 -27.379 56 HD13 LEU 8 HD13 LEU 8 16.050 14.283 -27.718 57 HD21 LEU 8 HD21 LEU 8 18.570 15.951 -26.782 58 HD22 LEU 8 HD22 LEU 8 17.606 16.177 -28.246 59 HD23 LEU 8 HD23 LEU 8 19.339 15.890 -28.371 60 H GLY 9 H GLY 9 17.768 12.017 -29.633 61 HA2 GLY 9 HA2 GLY 9 16.445 9.813 -28.253 62 HA3 GLY 9 HA3 GLY 9 15.727 10.881 -29.441 63 H GLN 10 H GLN 10 18.661 8.898 -29.728 64 HA GLN 10 HA GLN 10 17.505 6.912 -31.453 65 HB2 GLN 10 HB2 GLN 10 18.926 7.538 -33.476 66 HB3 GLN 10 HB3 GLN 10 17.562 8.599 -33.161 67 HG2 GLN 10 HG2 GLN 10 19.106 10.248 -32.126 68 HG3 GLN 10 HG3 GLN 10 20.464 9.188 -32.483 69 HE21 GLN 10 HE21 GLN 10 21.201 9.042 -34.633 70 HE22 GLN 10 HE22 GLN 10 20.710 10.168 -35.847 71 H ASP 11 H ASP 11 20.556 8.544 -30.551 72 HA ASP 11 HA ASP 11 22.099 6.078 -30.547 73 HB2 ASP 11 HB2 ASP 11 23.057 8.266 -31.322 74 HB3 ASP 11 HB3 ASP 11 22.886 8.901 -29.691 75 H LEU 12 H LEU 12 20.656 8.288 -28.211 76 HA LEU 12 HA LEU 12 21.433 6.533 -25.941 77 HB2 LEU 12 HB2 LEU 12 22.504 8.924 -26.175 78 HB3 LEU 12 HB3 LEU 12 20.922 9.530 -25.716 79 HG LEU 12 HG LEU 12 21.100 8.349 -23.530 80 HD11 LEU 12 HD11 LEU 12 23.872 7.532 -24.432 81 HD12 LEU 12 HD12 LEU 12 22.495 6.460 -24.166 82 HD13 LEU 12 HD13 LEU 12 23.208 7.325 -22.809 83 HD21 LEU 12 HD21 LEU 12 22.807 9.791 -22.519 84 HD22 LEU 12 HD22 LEU 12 21.836 10.678 -23.691 85 HD23 LEU 12 HD23 LEU 12 23.469 10.154 -24.117 86 H GLU 13 H GLU 13 19.598 8.205 -24.165 87 HA GLU 13 HA GLU 13 17.577 8.109 -23.243 88 HB2 GLU 13 HB2 GLU 13 16.470 7.729 -26.054 89 HB3 GLU 13 HB3 GLU 13 15.531 8.148 -24.625 90 HG2 GLU 13 HG2 GLU 13 17.593 9.845 -26.043 91 HG3 GLU 13 HG3 GLU 13 15.864 10.144 -25.913 92 H VAL 14 H VAL 14 15.431 6.670 -23.152 93 HA VAL 14 HA VAL 14 16.239 4.111 -22.318 94 HB VAL 14 HB VAL 14 14.283 5.133 -21.305 95 HG11 VAL 14 HG11 VAL 14 12.853 4.865 -23.976 96 HG12 VAL 14 HG12 VAL 14 13.385 6.371 -23.228 97 HG13 VAL 14 HG13 VAL 14 12.121 5.409 -22.462 98 HG21 VAL 14 HG21 VAL 14 14.388 2.673 -21.221 99 HG22 VAL 14 HG22 VAL 14 13.503 2.553 -22.742 100 HG23 VAL 14 HG23 VAL 14 12.708 3.207 -21.306 101 H CYS 15 H CYS 15 16.628 2.314 -23.395 102 HA CYS 15 HA CYS 15 15.219 1.684 -25.909 103 HB2 CYS 15 HB2 CYS 15 17.469 2.668 -26.471 104 HB3 CYS 15 HB3 CYS 15 18.232 1.356 -25.578 105 HG CYS 15 HG CYS 15 18.518 0.744 -28.243 106 H CYS 16 H CYS 16 14.007 0.134 -24.950 107 HA CYS 16 HA CYS 16 15.356 -2.336 -24.036 108 HB2 CYS 16 HB2 CYS 16 13.293 -2.861 -22.770 109 HB3 CYS 16 HB3 CYS 16 13.997 -1.340 -22.243 110 HG CYS 16 HG CYS 16 10.951 -1.805 -22.856 111 H CYS 17 H CYS 17 14.564 -4.315 -24.849 112 HA CYS 17 HA CYS 17 13.574 -5.856 -26.159 113 HB2 CYS 17 HB2 CYS 17 11.389 -4.936 -25.583 114 HB3 CYS 17 HB3 CYS 17 11.535 -3.712 -26.839 115 HG CYS 17 HG CYS 17 10.383 -5.095 -28.656 116 H ALA 18 H ALA 18 13.416 -2.794 -28.025 117 HA ALA 18 HA ALA 18 13.708 -3.764 -30.601 118 HB1 ALA 18 HB1 ALA 18 14.332 -1.456 -31.204 119 HB2 ALA 18 HB2 ALA 18 14.654 -1.086 -29.507 120 HB3 ALA 18 HB3 ALA 18 13.013 -1.468 -30.033 121 HA PRO 19 HA PRO 19 17.889 -5.230 -31.267 122 HB2 PRO 19 HB2 PRO 19 18.493 -4.155 -33.785 123 HB3 PRO 19 HB3 PRO 19 17.520 -5.606 -33.514 124 HG2 PRO 19 HG2 PRO 19 16.600 -2.769 -33.970 125 HG3 PRO 19 HG3 PRO 19 15.977 -4.273 -34.686 126 HD2 PRO 19 HD2 PRO 19 14.662 -3.123 -32.666 127 HD3 PRO 19 HD3 PRO 19 14.835 -4.892 -32.706 128 H MET 20 H MET 20 19.832 -4.619 -30.542 129 HA MET 20 HA MET 20 21.471 -3.438 -29.562 130 HB2 MET 20 HB2 MET 20 21.771 -2.521 -31.936 131 HB3 MET 20 HB3 MET 20 20.854 -1.112 -31.429 132 HG2 MET 20 HG2 MET 20 23.456 -1.999 -30.151 133 HG3 MET 20 HG3 MET 20 23.332 -0.783 -31.417 134 HE1 MET 20 HE1 MET 20 21.501 2.159 -29.564 135 HE2 MET 20 HE2 MET 20 20.787 0.943 -30.622 136 HE3 MET 20 HE3 MET 20 22.337 1.676 -31.039 137 H THR 21 H THR 21 20.606 -3.250 -27.527 138 HA THR 21 HA THR 21 18.933 -0.927 -26.821 139 HB THR 21 HB THR 21 18.754 -2.050 -24.559 140 HG1 THR 21 HG1 THR 21 20.815 -3.370 -25.174 141 HG21 THR 21 HG21 THR 21 17.266 -3.884 -25.291 142 HG22 THR 21 HG22 THR 21 17.924 -3.783 -26.924 143 HG23 THR 21 HG23 THR 21 16.998 -2.433 -26.260 144 H GLY 22 H GLY 22 19.476 0.120 -24.629 145 HA2 GLY 22 HA2 GLY 22 21.816 1.605 -24.837 146 HA3 GLY 22 HA3 GLY 22 20.857 1.463 -23.374 147 H TRP 23 H TRP 23 21.202 -1.039 -22.515 148 HA TRP 23 HA TRP 23 22.467 -2.669 -21.610 149 HB2 TRP 23 HB2 TRP 23 23.271 -3.014 -23.954 150 HB3 TRP 23 HB3 TRP 23 24.574 -1.868 -23.680 151 HD1 TRP 23 HD1 TRP 23 23.406 -5.290 -22.175 152 HE1 TRP 23 HE1 TRP 23 25.509 -6.662 -21.605 153 HE3 TRP 23 HE3 TRP 23 27.003 -1.878 -23.473 154 HZ2 TRP 23 HZ2 TRP 23 28.301 -6.355 -21.685 155 HZ3 TRP 23 HZ3 TRP 23 29.376 -2.499 -23.194 156 HH2 TRP 23 HH2 TRP 23 30.009 -4.697 -22.317 157 H TYR 24 H TYR 24 24.395 -3.105 -20.217 158 HA TYR 24 HA TYR 24 26.001 -2.699 -18.698 159 HB2 TYR 24 HB2 TYR 24 27.136 -1.603 -20.673 160 HB3 TYR 24 HB3 TYR 24 26.508 -0.058 -20.123 161 HD1 TYR 24 HD2 TYR 24 28.810 -2.847 -19.273 162 HD2 TYR 24 HD1 TYR 24 27.644 1.162 -18.361 163 HE1 TYR 24 HE2 TYR 24 30.797 -2.590 -17.863 164 HE2 TYR 24 HE1 TYR 24 29.639 1.415 -16.954 165 HH TYR 24 HH TYR 24 32.249 -0.590 -17.076 166 H ARG 25 H ARG 25 25.270 0.769 -18.964 167 HA ARG 25 HA ARG 25 23.614 0.803 -16.515 168 HB2 ARG 25 HB2 ARG 25 26.198 2.410 -16.858 169 HB3 ARG 25 HB3 ARG 25 24.998 2.753 -15.619 170 HG2 ARG 25 HG2 ARG 25 26.597 0.181 -15.849 171 HG3 ARG 25 HG3 ARG 25 26.946 1.511 -14.741 172 HD2 ARG 25 HD2 ARG 25 24.810 1.146 -13.595 173 HD3 ARG 25 HD3 ARG 25 24.386 -0.133 -14.739 174 HE ARG 25 HE ARG 25 26.545 -0.260 -12.719 175 HH11 ARG 25 HH11 ARG 25 24.395 -1.927 -14.867 176 HH12 ARG 25 HH12 ARG 25 24.786 -3.477 -14.212 177 HH21 ARG 25 HH21 ARG 25 27.015 -2.257 -11.906 178 HH22 ARG 25 HH22 ARG 25 26.238 -3.657 -12.558 179 H ASN 26 H ASN 26 23.140 1.273 -19.415 180 HA ASN 26 HA ASN 26 22.604 4.160 -19.570 181 HB2 ASN 26 HB2 ASN 26 23.770 2.429 -21.809 182 HB3 ASN 26 HB3 ASN 26 23.382 4.147 -21.921 183 HD21 ASN 26 HD21 ASN 26 24.743 5.656 -20.829 184 HD22 ASN 26 HD22 ASN 26 26.325 5.215 -20.304 185 H GLY 27 H GLY 27 20.738 4.686 -20.466 186 HA2 GLY 27 HA2 GLY 27 18.985 4.652 -22.012 187 HA3 GLY 27 HA3 GLY 27 19.318 2.966 -22.348 188 H PHE 28 H PHE 28 18.443 1.348 -20.896 189 HA PHE 28 HA PHE 28 15.794 2.191 -19.946 190 HB2 PHE 28 HB2 PHE 28 15.760 0.439 -21.592 191 HB3 PHE 28 HB3 PHE 28 16.937 -0.516 -20.717 192 HD1 PHE 28 HD2 PHE 28 13.475 0.899 -20.309 193 HD2 PHE 28 HD1 PHE 28 16.152 -2.311 -19.392 194 HE1 PHE 28 HE2 PHE 28 11.638 -0.331 -19.234 195 HE2 PHE 28 HE1 PHE 28 14.305 -3.538 -18.320 196 HZ PHE 28 HZ PHE 28 12.048 -2.546 -18.235 197 H CYS 29 H CYS 29 14.960 1.750 -17.950 198 HA CYS 29 HA CYS 29 16.736 0.786 -15.783 199 HB2 CYS 29 HB2 CYS 29 14.973 3.271 -15.703 200 HB3 CYS 29 HB3 CYS 29 15.888 2.625 -14.342 201 HG CYS 29 HG CYS 29 18.054 2.993 -16.707 202 H GLN 30 H GLN 30 15.103 0.809 -13.613 203 HA GLN 30 HA GLN 30 13.233 -1.336 -14.154 204 HB2 GLN 30 HB2 GLN 30 13.958 0.103 -11.571 205 HB3 GLN 30 HB3 GLN 30 12.899 -1.302 -11.646 206 HG2 GLN 30 HG2 GLN 30 14.763 -2.667 -12.509 207 HG3 GLN 30 HG3 GLN 30 15.826 -1.260 -12.465 208 HE21 GLN 30 HE21 GLN 30 16.026 -3.842 -11.049 209 HE22 GLN 30 HE22 GLN 30 16.119 -3.443 -9.374 210 H THR 31 H THR 31 11.847 0.089 -15.590 211 HA THR 31 HA THR 31 9.398 0.763 -14.278 212 HB THR 31 HB THR 31 10.558 2.871 -13.747 213 HG1 THR 31 HG1 THR 31 8.689 3.369 -15.847 214 HG21 THR 31 HG21 THR 31 10.925 3.256 -16.742 215 HG22 THR 31 HG22 THR 31 12.218 2.942 -15.581 216 HG23 THR 31 HG23 THR 31 11.297 4.446 -15.494 217 H ASP 32 H ASP 32 7.665 1.155 -15.747 218 HA ASP 32 HA ASP 32 8.268 0.868 -18.636 219 HB2 ASP 32 HB2 ASP 32 6.770 -0.891 -17.729 220 HB3 ASP 32 HB3 ASP 32 5.663 0.341 -17.142 221 H VAL 33 H VAL 33 6.959 2.213 -20.104 222 HA VAL 33 HA VAL 33 7.233 4.955 -19.456 223 HB VAL 33 HB VAL 33 7.566 4.043 -21.731 224 HG11 VAL 33 HG11 VAL 33 5.756 2.401 -21.827 225 HG12 VAL 33 HG12 VAL 33 5.645 3.499 -23.203 226 HG13 VAL 33 HG13 VAL 33 4.546 3.688 -21.832 227 HG21 VAL 33 HG21 VAL 33 6.500 5.861 -23.027 228 HG22 VAL 33 HG22 VAL 33 7.179 6.462 -21.514 229 HG23 VAL 33 HG23 VAL 33 5.437 6.217 -21.661 230 H GLN 34 H GLN 34 4.391 2.839 -19.440 231 HA GLN 34 HA GLN 34 2.400 4.908 -19.637 232 HB2 GLN 34 HB2 GLN 34 2.107 2.536 -20.427 233 HB3 GLN 34 HB3 GLN 34 2.070 2.007 -18.746 234 HG2 GLN 34 HG2 GLN 34 0.056 3.363 -18.369 235 HG3 GLN 34 HG3 GLN 34 0.075 3.893 -20.048 236 HE21 GLN 34 HE21 GLN 34 -0.404 2.335 -21.689 237 HE22 GLN 34 HE22 GLN 34 -1.280 0.894 -21.320 238 H ASP 35 H ASP 35 4.152 3.559 -16.995 239 HA ASP 35 HA ASP 35 2.279 4.074 -14.877 240 HB2 ASP 35 HB2 ASP 35 5.251 3.445 -14.818 241 HB3 ASP 35 HB3 ASP 35 4.202 3.450 -13.402 242 H ARG 36 H ARG 36 3.356 6.444 -16.622 243 HA ARG 36 HA ARG 36 3.661 8.655 -16.418 244 HB2 ARG 36 HB2 ARG 36 1.726 8.009 -14.642 245 HB3 ARG 36 HB3 ARG 36 2.889 8.638 -13.494 246 HG2 ARG 36 HG2 ARG 36 2.074 10.285 -15.890 247 HG3 ARG 36 HG3 ARG 36 1.015 10.195 -14.483 248 HD2 ARG 36 HD2 ARG 36 3.879 11.224 -14.521 249 HD3 ARG 36 HD3 ARG 36 2.414 12.196 -14.351 250 HE ARG 36 HE ARG 36 2.403 10.318 -12.283 251 HH11 ARG 36 HH11 ARG 36 4.289 13.083 -13.179 252 HH12 ARG 36 HH12 ARG 36 4.796 13.383 -11.556 253 HH21 ARG 36 HH21 ARG 36 3.054 10.728 -10.236 254 HH22 ARG 36 HH22 ARG 36 4.106 12.049 -9.900 255 H GLY 37 H GLY 37 5.902 6.773 -15.677 256 HA2 GLY 37 HA2 GLY 37 8.154 7.003 -15.196 257 HA3 GLY 37 HA3 GLY 37 7.883 8.709 -14.900 258 H SER 38 H SER 38 5.828 6.891 -12.962 259 HA SER 38 HA SER 38 7.433 7.391 -10.552 260 HB2 SER 38 HB2 SER 38 4.498 6.619 -10.879 261 HB3 SER 38 HB3 SER 38 5.280 6.990 -9.339 262 HG SER 38 HG SER 38 4.372 8.868 -9.963 263 H HIS 39 H HIS 39 7.829 5.063 -12.489 264 HA HIS 39 HA HIS 39 8.535 2.935 -12.501 265 HB2 HIS 39 HB2 HIS 39 8.424 3.081 -9.457 266 HB3 HIS 39 HB3 HIS 39 9.216 1.810 -10.387 267 HD1 HIS 39 HD1 HIS 39 9.563 5.404 -9.410 268 HD2 HIS 39 HD2 HIS 39 11.733 2.521 -11.450 269 HE1 HIS 39 HE1 HIS 39 11.863 6.359 -9.670 270 HE2 HIS 39 HE2 HIS 39 13.054 4.713 -11.136 271 H THR 40 H THR 40 7.908 0.585 -11.595 272 HA THR 40 HA THR 40 5.029 0.357 -12.186 273 HB THR 40 HB THR 40 5.579 -2.068 -12.617 274 HG1 THR 40 HG1 THR 40 7.350 -2.484 -11.383 275 HG21 THR 40 HG21 THR 40 5.705 -0.477 -14.503 276 HG22 THR 40 HG22 THR 40 6.931 -1.739 -14.651 277 HG23 THR 40 HG23 THR 40 7.391 -0.127 -14.101 278 H VAL 41 H VAL 41 3.924 0.608 -10.281 279 HA VAL 41 HA VAL 41 4.309 -1.422 -8.155 280 HB VAL 41 HB VAL 41 3.599 1.491 -7.533 281 HG11 VAL 41 HG11 VAL 41 4.235 -0.841 -5.680 282 HG12 VAL 41 HG12 VAL 41 2.642 -0.134 -5.956 283 HG13 VAL 41 HG13 VAL 41 3.901 0.816 -5.171 284 HG21 VAL 41 HG21 VAL 41 6.290 0.137 -7.102 285 HG22 VAL 41 HG22 VAL 41 5.837 1.727 -6.485 286 HG23 VAL 41 HG23 VAL 41 5.951 1.456 -8.225 287 H CYS 42 H CYS 42 2.481 -2.628 -8.629 288 HA CYS 42 HA CYS 42 -0.158 -1.250 -8.587 289 HB2 CYS 42 HB2 CYS 42 0.555 -3.997 -9.709 290 HB3 CYS 42 HB3 CYS 42 -1.063 -3.297 -9.680 291 HG CYS 42 HG CYS 42 1.600 -2.033 -11.404 292 H ALA 43 H ALA 43 -0.953 -1.284 -6.602 293 HA ALA 43 HA ALA 43 -0.745 -3.652 -4.869 294 HB1 ALA 43 HB1 ALA 43 0.094 -0.842 -4.022 295 HB2 ALA 43 HB2 ALA 43 1.177 -2.214 -4.261 296 HB3 ALA 43 HB3 ALA 43 -0.012 -2.249 -2.959 297 H GLU 44 H GLU 44 -2.427 -3.657 -3.216 298 HA GLU 44 HA GLU 44 -4.693 -1.896 -3.955 299 HB2 GLU 44 HB2 GLU 44 -4.813 -4.409 -4.580 300 HB3 GLU 44 HB3 GLU 44 -5.050 -4.701 -2.860 301 HG2 GLU 44 HG2 GLU 44 -6.984 -3.087 -2.956 302 HG3 GLU 44 HG3 GLU 44 -6.765 -3.043 -4.709 303 H MET 45 H MET 45 -5.537 -0.699 -2.407 304 HA MET 45 HA MET 45 -5.185 -1.496 0.433 305 HB2 MET 45 HB2 MET 45 -5.587 1.376 -0.563 306 HB3 MET 45 HB3 MET 45 -5.283 0.841 1.094 307 HG2 MET 45 HG2 MET 45 -3.067 -0.182 0.135 308 HG3 MET 45 HG3 MET 45 -3.337 0.931 -1.204 309 HE1 MET 45 HE1 MET 45 -4.536 3.526 0.183 310 HE2 MET 45 HE2 MET 45 -3.194 3.593 -0.964 311 HE3 MET 45 HE3 MET 45 -3.065 4.414 0.595 312 H THR 46 H THR 46 -6.896 -1.044 1.895 313 HA THR 46 HA THR 46 -9.570 -1.466 0.738 314 HB THR 46 HB THR 46 -8.921 -3.073 2.477 315 HG1 THR 46 HG1 THR 46 -10.790 -2.927 3.676 316 HG21 THR 46 HG21 THR 46 -7.372 -1.682 3.811 317 HG22 THR 46 HG22 THR 46 -8.604 -2.429 4.826 318 HG23 THR 46 HG23 THR 46 -8.736 -0.723 4.394 319 H GLU 47 H GLU 47 -11.432 -0.305 1.606 320 HA GLU 47 HA GLU 47 -11.194 2.452 1.326 321 HB2 GLU 47 HB2 GLU 47 -13.315 1.187 1.003 322 HB3 GLU 47 HB3 GLU 47 -13.444 0.971 2.744 323 HG2 GLU 47 HG2 GLU 47 -13.543 3.493 2.978 324 HG3 GLU 47 HG3 GLU 47 -13.597 3.591 1.216 325 H GLU 48 H GLU 48 -11.016 0.525 4.231 326 HA GLU 48 HA GLU 48 -11.627 2.234 6.308 327 HB2 GLU 48 HB2 GLU 48 -9.373 0.173 6.277 328 HB3 GLU 48 HB3 GLU 48 -10.184 0.798 7.716 329 HG2 GLU 48 HG2 GLU 48 -12.299 -0.222 6.974 330 HG3 GLU 48 HG3 GLU 48 -11.513 -0.820 5.516 331 H PHE 49 H PHE 49 -8.312 1.808 4.912 332 HA PHE 49 HA PHE 49 -7.178 3.968 6.421 333 HB2 PHE 49 HB2 PHE 49 -5.672 2.217 5.682 334 HB3 PHE 49 HB3 PHE 49 -6.076 2.517 3.990 335 HD1 PHE 49 HD2 PHE 49 -4.832 4.455 6.979 336 HD2 PHE 49 HD1 PHE 49 -4.531 3.815 2.752 337 HE1 PHE 49 HE2 PHE 49 -3.078 6.171 6.839 338 HE2 PHE 49 HE1 PHE 49 -2.785 5.549 2.626 339 HZ PHE 49 HZ PHE 49 -2.060 6.721 4.667 340 H LEU 50 H LEU 50 -8.459 3.740 3.114 341 HA LEU 50 HA LEU 50 -7.595 6.299 2.227 342 HB2 LEU 50 HB2 LEU 50 -9.721 4.392 1.207 343 HB3 LEU 50 HB3 LEU 50 -9.468 5.947 0.463 344 HG LEU 50 HG LEU 50 -7.083 5.325 0.006 345 HD11 LEU 50 HD11 LEU 50 -6.405 2.998 0.074 346 HD12 LEU 50 HD12 LEU 50 -7.937 2.542 0.818 347 HD13 LEU 50 HD13 LEU 50 -6.801 3.574 1.692 348 HD21 LEU 50 HD21 LEU 50 -8.770 5.216 -1.749 349 HD22 LEU 50 HD22 LEU 50 -9.210 3.577 -1.262 350 HD23 LEU 50 HD23 LEU 50 -7.608 3.901 -1.931 351 H LEU 51 H LEU 51 -10.319 5.319 4.167 352 HA LEU 51 HA LEU 51 -11.772 7.785 4.147 353 HB2 LEU 51 HB2 LEU 51 -11.689 5.513 6.165 354 HB3 LEU 51 HB3 LEU 51 -12.784 6.874 6.286 355 HG LEU 51 HG LEU 51 -12.778 4.822 4.055 356 HD11 LEU 51 HD11 LEU 51 -14.906 4.054 4.981 357 HD12 LEU 51 HD12 LEU 51 -14.768 5.208 6.311 358 HD13 LEU 51 HD13 LEU 51 -13.604 3.889 6.159 359 HD21 LEU 51 HD21 LEU 51 -14.837 5.913 3.272 360 HD22 LEU 51 HD22 LEU 51 -13.457 7.003 3.202 361 HD23 LEU 51 HD23 LEU 51 -14.646 7.172 4.497 362 H PHE 52 H PHE 52 -9.310 6.399 6.404 363 HA PHE 52 HA PHE 52 -9.045 8.573 8.181 364 HB2 PHE 52 HB2 PHE 52 -6.852 6.655 7.273 365 HB3 PHE 52 HB3 PHE 52 -6.764 7.684 8.699 366 HD1 PHE 52 HD2 PHE 52 -9.359 7.317 9.996 367 HD2 PHE 52 HD1 PHE 52 -6.888 4.427 8.023 368 HE1 PHE 52 HE2 PHE 52 -10.357 5.527 11.352 369 HE2 PHE 52 HE1 PHE 52 -7.908 2.649 9.385 370 HZ PHE 52 HZ PHE 52 -9.639 3.193 11.044 371 H SER 53 H SER 53 -7.664 8.057 4.987 372 HA SER 53 HA SER 53 -5.974 10.363 4.897 373 HB2 SER 53 HB2 SER 53 -7.208 8.739 2.632 374 HB3 SER 53 HB3 SER 53 -5.943 9.954 2.430 375 HG SER 53 HG SER 53 -5.778 7.490 3.844 376 H ARG 54 H ARG 54 -9.346 9.733 3.908 377 HA ARG 54 HA ARG 54 -9.892 12.165 2.580 378 HB2 ARG 54 HB2 ARG 54 -11.312 10.153 2.372 379 HB3 ARG 54 HB3 ARG 54 -11.790 10.297 4.062 380 HG2 ARG 54 HG2 ARG 54 -12.861 12.488 3.541 381 HG3 ARG 54 HG3 ARG 54 -12.436 12.269 1.845 382 HD2 ARG 54 HD2 ARG 54 -13.877 10.281 1.730 383 HD3 ARG 54 HD3 ARG 54 -14.258 10.444 3.452 384 HE ARG 54 HE ARG 54 -14.903 12.621 1.557 385 HH11 ARG 54 HH11 ARG 54 -16.016 10.317 3.897 386 HH12 ARG 54 HH12 ARG 54 -17.599 11.002 3.959 387 HH21 ARG 54 HH21 ARG 54 -16.911 13.476 1.673 388 HH22 ARG 54 HH22 ARG 54 -18.101 12.773 2.715 389 H ASP 55 H ASP 55 -10.202 11.312 6.041 390 HA ASP 55 HA ASP 55 -11.603 13.627 6.890 391 HB2 ASP 55 HB2 ASP 55 -9.818 11.697 8.412 392 HB3 ASP 55 HB3 ASP 55 -10.726 12.983 9.201 393 H ARG 56 H ARG 56 -8.308 13.336 5.953 394 HA ARG 56 HA ARG 56 -7.138 15.399 7.570 395 HB2 ARG 56 HB2 ARG 56 -6.223 14.383 4.850 396 HB3 ARG 56 HB3 ARG 56 -5.249 15.283 6.013 397 HG2 ARG 56 HG2 ARG 56 -5.326 13.397 7.585 398 HG3 ARG 56 HG3 ARG 56 -6.390 12.505 6.488 399 HD2 ARG 56 HD2 ARG 56 -4.556 12.650 4.747 400 HD3 ARG 56 HD3 ARG 56 -3.503 13.304 6.005 401 HE ARG 56 HE ARG 56 -4.395 10.956 7.069 402 HH11 ARG 56 HH11 ARG 56 -2.819 11.785 4.105 403 HH12 ARG 56 HH12 ARG 56 -2.025 10.257 3.976 404 HH21 ARG 56 HH21 ARG 56 -3.365 8.970 6.845 405 HH22 ARG 56 HH22 ARG 56 -2.339 8.696 5.478 406 H GLY 57 H GLY 57 -9.147 15.509 4.713 407 HA2 GLY 57 HA2 GLY 57 -9.222 18.401 4.719 408 HA3 GLY 57 HA3 GLY 57 -8.328 17.765 3.343 409 H ASN 58 H ASN 58 -11.129 16.175 4.766 410 HA ASN 58 HA ASN 58 -13.351 16.114 4.376 411 HB2 ASN 58 HB2 ASN 58 -12.987 18.249 2.244 412 HB3 ASN 58 HB3 ASN 58 -14.534 17.663 2.846 413 HD21 ASN 58 HD21 ASN 58 -11.830 19.720 3.478 414 HD22 ASN 58 HD22 ASN 58 -12.458 20.442 4.915 415 H ASP 59 H ASP 59 -11.362 16.019 1.413 416 HA ASP 59 HA ASP 59 -12.915 13.699 0.490 417 HB2 ASP 59 HB2 ASP 59 -12.882 14.652 -1.878 418 HB3 ASP 59 HB3 ASP 59 -13.977 15.442 -0.753 419 H LEU 60 H LEU 60 -10.211 15.569 -0.999 420 HA LEU 60 HA LEU 60 -8.551 14.808 -2.331 421 HB2 LEU 60 HB2 LEU 60 -6.586 14.074 -1.027 422 HB3 LEU 60 HB3 LEU 60 -7.385 15.485 -0.376 423 HG LEU 60 HG LEU 60 -8.086 12.811 0.840 424 HD11 LEU 60 HD11 LEU 60 -5.507 14.265 1.493 425 HD12 LEU 60 HD12 LEU 60 -5.644 12.694 0.699 426 HD13 LEU 60 HD13 LEU 60 -6.178 12.883 2.366 427 HD21 LEU 60 HD21 LEU 60 -9.240 14.850 1.618 428 HD22 LEU 60 HD22 LEU 60 -7.690 15.562 2.070 429 HD23 LEU 60 HD23 LEU 60 -8.277 14.120 2.903 430 H MET 61 H MET 61 -10.666 12.640 -2.242 431 HA MET 61 HA MET 61 -9.077 10.271 -2.960 432 HB2 MET 61 HB2 MET 61 -12.084 10.778 -2.880 433 HB3 MET 61 HB3 MET 61 -11.375 9.262 -3.414 434 HG2 MET 61 HG2 MET 61 -10.385 8.954 -1.162 435 HG3 MET 61 HG3 MET 61 -11.158 10.454 -0.639 436 HE1 MET 61 HE1 MET 61 -12.122 8.762 1.390 437 HE2 MET 61 HE2 MET 61 -11.488 7.325 0.584 438 HE3 MET 61 HE3 MET 61 -13.189 7.401 1.047 439 H THR 62 H THR 62 -11.241 12.669 -4.394 440 HA THR 62 HA THR 62 -9.910 12.471 -6.995 441 HB THR 62 HB THR 62 -12.958 12.266 -6.702 442 HG1 THR 62 HG1 THR 62 -11.950 10.258 -6.398 443 HG21 THR 62 HG21 THR 62 -11.296 12.385 -9.251 444 HG22 THR 62 HG22 THR 62 -12.364 13.661 -8.668 445 HG23 THR 62 HG23 THR 62 -13.041 12.110 -9.175 446 HA PRO 63 HA PRO 63 -10.535 17.015 -6.474 447 HB2 PRO 63 HB2 PRO 63 -9.638 17.182 -9.319 448 HB3 PRO 63 HB3 PRO 63 -8.947 17.945 -7.882 449 HG2 PRO 63 HG2 PRO 63 -7.697 15.902 -9.115 450 HG3 PRO 63 HG3 PRO 63 -7.652 16.079 -7.347 451 HD2 PRO 63 HD2 PRO 63 -9.374 14.242 -9.024 452 HD3 PRO 63 HD3 PRO 63 -8.482 13.890 -7.524 453 H ARG 64 H ARG 64 -12.437 18.088 -6.774 454 HA ARG 64 HA ARG 64 -14.360 18.944 -7.616 455 HB2 ARG 64 HB2 ARG 64 -13.521 17.765 -10.299 456 HB3 ARG 64 HB3 ARG 64 -14.761 18.994 -10.053 457 HG2 ARG 64 HG2 ARG 64 -13.087 20.611 -9.325 458 HG3 ARG 64 HG3 ARG 64 -11.825 19.377 -9.382 459 HD2 ARG 64 HD2 ARG 64 -11.608 20.736 -11.344 460 HD3 ARG 64 HD3 ARG 64 -12.233 19.164 -11.848 461 HE ARG 64 HE ARG 64 -14.458 20.220 -11.991 462 HH11 ARG 64 HH11 ARG 64 -11.706 22.347 -12.080 463 HH12 ARG 64 HH12 ARG 64 -12.564 23.578 -12.930 464 HH21 ARG 64 HH21 ARG 64 -15.526 21.842 -13.057 465 HH22 ARG 64 HH22 ARG 64 -14.697 23.306 -13.456 466 HA PRO 65 HA PRO 65 -17.362 15.520 -7.524 467 HB2 PRO 65 HB2 PRO 65 -19.677 16.745 -8.274 468 HB3 PRO 65 HB3 PRO 65 -18.915 17.056 -6.711 469 HG2 PRO 65 HG2 PRO 65 -18.789 18.701 -9.238 470 HG3 PRO 65 HG3 PRO 65 -19.032 19.244 -7.564 471 HD2 PRO 65 HD2 PRO 65 -16.603 19.355 -8.826 472 HD3 PRO 65 HD3 PRO 65 -16.762 19.155 -7.067 473 H GLU 66 H GLU 66 -16.616 17.247 -10.407 474 HA GLU 66 HA GLU 66 -17.253 14.887 -12.062 475 HB2 GLU 66 HB2 GLU 66 -18.919 16.779 -12.370 476 HB3 GLU 66 HB3 GLU 66 -17.619 17.771 -13.000 477 HG2 GLU 66 HG2 GLU 66 -18.436 15.125 -14.245 478 HG3 GLU 66 HG3 GLU 66 -19.184 16.651 -14.696 479 H PHE 67 H PHE 67 -15.439 14.151 -12.913 480 HA PHE 67 HA PHE 67 -13.125 15.892 -13.498 481 HB2 PHE 67 HB2 PHE 67 -13.025 14.974 -11.103 482 HB3 PHE 67 HB3 PHE 67 -12.879 13.365 -11.796 483 HD1 PHE 67 HD2 PHE 67 -11.250 16.750 -12.024 484 HD2 PHE 67 HD1 PHE 67 -10.688 12.506 -12.081 485 HE1 PHE 67 HE2 PHE 67 -8.819 17.067 -12.157 486 HE2 PHE 67 HE1 PHE 67 -8.257 12.838 -12.220 487 HZ PHE 67 HZ PHE 67 -7.319 15.116 -12.259 488 H ASN 68 H ASN 68 -15.169 14.081 -14.922 489 HA ASN 68 HA ASN 68 -15.363 12.762 -16.730 490 HB2 ASN 68 HB2 ASN 68 -12.348 13.041 -17.104 491 HB3 ASN 68 HB3 ASN 68 -13.487 12.440 -18.310 492 HD21 ASN 68 HD21 ASN 68 -12.332 15.260 -16.617 493 HD22 ASN 68 HD22 ASN 68 -13.074 16.428 -17.647 494 H PHE 69 H PHE 69 -12.195 11.685 -15.482 495 HA PHE 69 HA PHE 69 -13.221 8.912 -15.224 496 HB2 PHE 69 HB2 PHE 69 -10.838 8.203 -15.605 497 HB3 PHE 69 HB3 PHE 69 -11.536 9.050 -16.975 498 HD1 PHE 69 HD1 PHE 69 -10.775 11.380 -17.540 499 HD2 PHE 69 HD2 PHE 69 -8.904 9.132 -14.413 500 HE1 PHE 69 HE1 PHE 69 -8.858 12.925 -17.567 501 HE2 PHE 69 HE2 PHE 69 -6.999 10.683 -14.450 502 HZ PHE 69 HZ PHE 69 -6.972 12.579 -16.021 503 HA PRO 70 HA PRO 70 -11.896 9.321 -10.847 504 HB2 PRO 70 HB2 PRO 70 -12.601 6.861 -9.964 505 HB3 PRO 70 HB3 PRO 70 -13.822 8.080 -10.358 506 HG2 PRO 70 HG2 PRO 70 -12.865 5.756 -12.030 507 HG3 PRO 70 HG3 PRO 70 -14.528 6.311 -11.743 508 HD2 PRO 70 HD2 PRO 70 -13.074 6.955 -14.008 509 HD3 PRO 70 HD3 PRO 70 -14.385 7.969 -13.364 510 H GLY 71 H GLY 71 -10.000 8.825 -9.769 511 HA2 GLY 71 HA2 GLY 71 -7.912 7.304 -11.105 512 HA3 GLY 71 HA3 GLY 71 -7.773 8.189 -9.593 513 H LEU 72 H LEU 72 -6.509 6.275 -8.917 514 HA LEU 72 HA LEU 72 -7.805 3.715 -8.623 515 HB2 LEU 72 HB2 LEU 72 -5.143 4.741 -7.563 516 HB3 LEU 72 HB3 LEU 72 -5.713 3.099 -7.335 517 HG LEU 72 HG LEU 72 -4.154 3.022 -9.107 518 HD11 LEU 72 HD11 LEU 72 -5.402 2.174 -11.003 519 HD12 LEU 72 HD12 LEU 72 -6.881 2.936 -10.407 520 HD13 LEU 72 HD13 LEU 72 -6.116 1.641 -9.482 521 HD21 LEU 72 HD21 LEU 72 -5.579 5.302 -10.506 522 HD22 LEU 72 HD22 LEU 72 -4.203 4.386 -11.133 523 HD23 LEU 72 HD23 LEU 72 -4.015 5.377 -9.689 524 H LYS 73 H LYS 73 -9.329 3.394 -7.180 525 HA LYS 73 HA LYS 73 -9.272 4.713 -4.528 526 HB2 LYS 73 HB2 LYS 73 -11.682 4.279 -4.426 527 HB3 LYS 73 HB3 LYS 73 -11.304 5.101 -5.937 528 HG2 LYS 73 HG2 LYS 73 -11.381 2.905 -7.112 529 HG3 LYS 73 HG3 LYS 73 -11.842 2.135 -5.591 530 HD2 LYS 73 HD2 LYS 73 -13.913 3.506 -5.541 531 HD3 LYS 73 HD3 LYS 73 -13.442 4.262 -7.070 532 HE2 LYS 73 HE2 LYS 73 -14.057 1.314 -6.639 533 HE3 LYS 73 HE3 LYS 73 -15.074 2.484 -7.479 534 HZ1 LYS 73 HZ1 LYS 73 -12.366 1.603 -8.339 535 HZ2 LYS 73 HZ2 LYS 73 -13.322 2.747 -9.136 536 HZ3 LYS 73 HZ3 LYS 73 -13.834 1.140 -9.039 537 H ALA 74 H ALA 74 -10.843 3.019 -3.058 538 HA ALA 74 HA ALA 74 -9.164 0.901 -2.246 539 HB1 ALA 74 HB1 ALA 74 -12.098 1.369 -1.638 540 HB2 ALA 74 HB2 ALA 74 -10.729 2.021 -0.731 541 HB3 ALA 74 HB3 ALA 74 -11.022 0.281 -0.754 542 H GLY 75 H GLY 75 -8.948 -1.121 -2.978 543 HA2 GLY 75 HA2 GLY 75 -9.606 -3.220 -3.796 544 HA3 GLY 75 HA3 GLY 75 -11.094 -2.545 -4.402 545 H ASP 76 H ASP 76 -8.802 -0.449 -5.486 546 HA ASP 76 HA ASP 76 -8.412 -1.834 -8.057 547 HB2 ASP 76 HB2 ASP 76 -7.973 1.075 -7.256 548 HB3 ASP 76 HB3 ASP 76 -7.616 0.427 -8.852 549 H ARG 77 H ARG 77 -6.516 -2.856 -8.463 550 HA ARG 77 HA ARG 77 -4.066 -1.937 -7.061 551 HB2 ARG 77 HB2 ARG 77 -3.227 -4.156 -6.915 552 HB3 ARG 77 HB3 ARG 77 -4.895 -4.247 -6.404 553 HG2 ARG 77 HG2 ARG 77 -3.718 -5.250 -9.006 554 HG3 ARG 77 HG3 ARG 77 -4.296 -6.224 -7.657 555 HD2 ARG 77 HD2 ARG 77 -6.030 -4.456 -9.415 556 HD3 ARG 77 HD3 ARG 77 -5.836 -6.200 -9.609 557 HE ARG 77 HE ARG 77 -6.752 -5.480 -6.994 558 HH11 ARG 77 HH11 ARG 77 -7.858 -6.015 -10.249 559 HH12 ARG 77 HH12 ARG 77 -9.453 -6.437 -9.732 560 HH21 ARG 77 HH21 ARG 77 -8.789 -6.021 -6.387 561 HH22 ARG 77 HH22 ARG 77 -9.976 -6.431 -7.576 562 H TRP 78 H TRP 78 -3.416 -0.436 -8.594 563 HA TRP 78 HA TRP 78 -1.820 -1.318 -10.786 564 HB2 TRP 78 HB2 TRP 78 -4.055 -1.542 -11.914 565 HB3 TRP 78 HB3 TRP 78 -4.370 0.163 -11.601 566 HD1 TRP 78 HD1 TRP 78 -1.983 -2.080 -13.673 567 HE1 TRP 78 HE1 TRP 78 -1.112 -0.721 -15.670 568 HE3 TRP 78 HE3 TRP 78 -4.060 2.470 -12.548 569 HZ2 TRP 78 HZ2 TRP 78 -1.272 1.907 -16.651 570 HZ3 TRP 78 HZ3 TRP 78 -3.644 4.364 -14.077 571 HH2 TRP 78 HH2 TRP 78 -2.275 4.081 -16.088 572 H CYS 79 H CYS 79 -0.171 0.144 -10.872 573 HA CYS 79 HA CYS 79 1.107 1.989 -10.486 574 HB2 CYS 79 HB2 CYS 79 -1.321 3.270 -11.754 575 HB3 CYS 79 HB3 CYS 79 0.179 4.146 -11.463 576 HG CYS 79 HG CYS 79 1.655 2.201 -13.050 577 H LEU 80 H LEU 80 -0.617 1.209 -8.214 578 HA LEU 80 HA LEU 80 -1.454 3.491 -6.739 579 HB2 LEU 80 HB2 LEU 80 -2.266 1.159 -6.246 580 HB3 LEU 80 HB3 LEU 80 -0.649 0.708 -5.749 581 HG LEU 80 HG LEU 80 -2.406 1.095 -3.905 582 HD11 LEU 80 HD11 LEU 80 -0.849 2.013 -2.293 583 HD12 LEU 80 HD12 LEU 80 0.185 2.619 -3.590 584 HD13 LEU 80 HD13 LEU 80 -0.033 0.882 -3.374 585 HD21 LEU 80 HD21 LEU 80 -2.811 3.373 -3.137 586 HD22 LEU 80 HD22 LEU 80 -3.403 3.145 -4.781 587 HD23 LEU 80 HD23 LEU 80 -1.895 4.021 -4.504 588 H CYS 81 H CYS 81 -0.138 5.042 -5.950 589 HA CYS 81 HA CYS 81 2.684 4.943 -5.927 590 HB2 CYS 81 HB2 CYS 81 2.444 7.085 -4.526 591 HB3 CYS 81 HB3 CYS 81 1.664 7.090 -6.103 592 HG CYS 81 HG CYS 81 -0.509 8.036 -5.087 593 H ALA 82 H ALA 82 3.766 3.557 -4.734 594 HA ALA 82 HA ALA 82 2.983 2.151 -2.479 595 HB1 ALA 82 HB1 ALA 82 4.798 1.424 -3.964 596 HB2 ALA 82 HB2 ALA 82 5.327 1.425 -2.282 597 HB3 ALA 82 HB3 ALA 82 5.823 2.726 -3.367 598 H SER 83 H SER 83 4.433 5.341 -2.570 599 HA SER 83 HA SER 83 5.331 5.657 0.064 600 HB2 SER 83 HB2 SER 83 4.004 7.740 -1.720 601 HB3 SER 83 HB3 SER 83 4.996 8.090 -0.303 602 HG SER 83 HG SER 83 6.756 7.676 -1.422 603 H ARG 84 H ARG 84 2.009 5.947 -1.224 604 HA ARG 84 HA ARG 84 0.789 6.838 1.238 605 HB2 ARG 84 HB2 ARG 84 -0.465 5.698 -1.290 606 HB3 ARG 84 HB3 ARG 84 -1.380 6.390 0.048 607 HG2 ARG 84 HG2 ARG 84 0.583 7.855 -1.745 608 HG3 ARG 84 HG3 ARG 84 -1.176 8.006 -1.761 609 HD2 ARG 84 HD2 ARG 84 0.683 8.818 0.498 610 HD3 ARG 84 HD3 ARG 84 -0.161 9.909 -0.601 611 HE ARG 84 HE ARG 84 -1.386 8.269 1.527 612 HH11 ARG 84 HH11 ARG 84 -1.697 10.903 -0.721 613 HH12 ARG 84 HH12 ARG 84 -3.148 11.479 0.018 614 HH21 ARG 84 HH21 ARG 84 -3.221 9.036 2.434 615 HH22 ARG 84 HH22 ARG 84 -3.996 10.435 1.779 616 H TRP 85 H TRP 85 1.158 3.689 -0.341 617 HA TRP 85 HA TRP 85 -0.338 2.128 1.521 618 HB2 TRP 85 HB2 TRP 85 0.035 0.943 -0.443 619 HB3 TRP 85 HB3 TRP 85 1.662 1.577 -0.653 620 HD1 TRP 85 HD1 TRP 85 3.327 -0.326 -0.563 621 HE1 TRP 85 HE1 TRP 85 3.705 -2.393 0.911 622 HE3 TRP 85 HE3 TRP 85 -0.935 -0.156 2.268 623 HZ2 TRP 85 HZ2 TRP 85 2.397 -3.790 2.947 624 HZ3 TRP 85 HZ3 TRP 85 -1.288 -1.911 3.945 625 HH2 TRP 85 HH2 TRP 85 0.338 -3.684 4.273 626 H GLN 86 H GLN 86 3.115 2.936 1.306 627 HA GLN 86 HA GLN 86 4.081 1.793 3.667 628 HB2 GLN 86 HB2 GLN 86 5.544 2.745 1.910 629 HB3 GLN 86 HB3 GLN 86 4.968 4.361 2.274 630 HG2 GLN 86 HG2 GLN 86 7.202 3.993 3.216 631 HG3 GLN 86 HG3 GLN 86 6.023 4.278 4.497 632 HE21 GLN 86 HE21 GLN 86 5.474 2.548 5.876 633 HE22 GLN 86 HE22 GLN 86 6.399 1.100 5.952 634 H GLU 87 H GLU 87 2.633 4.970 3.087 635 HA GLU 87 HA GLU 87 2.941 6.224 5.553 636 HB2 GLU 87 HB2 GLU 87 2.155 7.349 3.502 637 HB3 GLU 87 HB3 GLU 87 0.660 6.427 3.552 638 HG2 GLU 87 HG2 GLU 87 0.113 7.578 5.736 639 HG3 GLU 87 HG3 GLU 87 1.531 8.599 5.478 640 H ALA 88 H ALA 88 0.345 3.994 4.488 641 HA ALA 88 HA ALA 88 -1.260 4.068 6.816 642 HB1 ALA 88 HB1 ALA 88 -1.956 3.083 4.641 643 HB2 ALA 88 HB2 ALA 88 -2.298 2.053 6.033 644 HB3 ALA 88 HB3 ALA 88 -0.919 1.693 4.974 645 H PHE 89 H PHE 89 1.558 1.981 6.056 646 HA PHE 89 HA PHE 89 1.511 0.509 8.510 647 HB2 PHE 89 HB2 PHE 89 2.746 -0.324 6.580 648 HB3 PHE 89 HB3 PHE 89 3.791 1.092 6.577 649 HD1 PHE 89 HD2 PHE 89 2.863 -1.902 8.649 650 HD2 PHE 89 HD1 PHE 89 5.845 1.054 7.788 651 HE1 PHE 89 HE2 PHE 89 4.467 -3.090 10.086 652 HE2 PHE 89 HE1 PHE 89 7.442 -0.147 9.227 653 HZ PHE 89 HZ PHE 89 6.755 -2.217 10.377 654 H GLU 90 H GLU 90 3.109 3.506 7.543 655 HA GLU 90 HA GLU 90 4.695 3.978 9.837 656 HB2 GLU 90 HB2 GLU 90 3.496 5.913 7.810 657 HB3 GLU 90 HB3 GLU 90 4.746 6.344 8.974 658 HG2 GLU 90 HG2 GLU 90 5.044 4.250 6.794 659 HG3 GLU 90 HG3 GLU 90 5.626 5.902 6.683 660 H ALA 91 H ALA 91 1.339 4.753 9.092 661 HA ALA 91 HA ALA 91 0.874 6.101 11.655 662 HB1 ALA 91 HB1 ALA 91 -0.089 7.037 9.600 663 HB2 ALA 91 HB2 ALA 91 -1.352 6.575 10.742 664 HB3 ALA 91 HB3 ALA 91 -1.008 5.552 9.341 665 H GLY 92 H GLY 92 0.613 2.929 10.324 666 HA2 GLY 92 HA2 GLY 92 0.445 1.058 11.810 667 HA3 GLY 92 HA3 GLY 92 -0.674 1.953 12.819 668 H MET 93 H MET 93 -2.074 2.711 10.081 669 HA MET 93 HA MET 93 -4.023 0.515 10.280 670 HB2 MET 93 HB2 MET 93 -4.247 3.144 8.760 671 HB3 MET 93 HB3 MET 93 -5.554 2.008 9.080 672 HG2 MET 93 HG2 MET 93 -5.922 3.637 10.664 673 HG3 MET 93 HG3 MET 93 -4.997 2.466 11.594 674 HE1 MET 93 HE1 MET 93 -3.916 5.190 8.908 675 HE2 MET 93 HE2 MET 93 -3.438 6.501 9.988 676 HE3 MET 93 HE3 MET 93 -5.120 5.975 9.934 677 H ALA 94 H ALA 94 -1.523 0.019 8.820 678 HA ALA 94 HA ALA 94 -1.659 -0.021 6.071 679 HB1 ALA 94 HB1 ALA 94 -0.398 -2.123 7.843 680 HB2 ALA 94 HB2 ALA 94 0.331 -0.591 7.363 681 HB3 ALA 94 HB3 ALA 94 -0.010 -1.817 6.147 682 HA PRO 95 HA PRO 95 -5.178 -2.920 5.188 683 HB2 PRO 95 HB2 PRO 95 -4.163 -2.217 2.424 684 HB3 PRO 95 HB3 PRO 95 -5.826 -2.258 3.034 685 HG2 PRO 95 HG2 PRO 95 -4.653 0.081 2.710 686 HG3 PRO 95 HG3 PRO 95 -5.581 -0.217 4.198 687 HD2 PRO 95 HD2 PRO 95 -2.584 -0.317 3.784 688 HD3 PRO 95 HD3 PRO 95 -3.516 0.463 5.086 689 HA PRO 96 HA PRO 96 -2.879 -6.623 3.693 690 HB2 PRO 96 HB2 PRO 96 -5.225 -7.760 2.364 691 HB3 PRO 96 HB3 PRO 96 -4.496 -8.241 3.896 692 HG2 PRO 96 HG2 PRO 96 -6.973 -7.049 3.698 693 HG3 PRO 96 HG3 PRO 96 -5.947 -6.934 5.143 694 HD2 PRO 96 HD2 PRO 96 -6.308 -4.934 2.908 695 HD3 PRO 96 HD3 PRO 96 -6.235 -4.661 4.665 696 H VAL 97 H VAL 97 -1.454 -6.288 2.049 697 HA VAL 97 HA VAL 97 -2.340 -5.459 -0.637 698 HB VAL 97 HB VAL 97 -0.589 -4.067 0.448 699 HG11 VAL 97 HG11 VAL 97 1.677 -4.908 0.855 700 HG12 VAL 97 HG12 VAL 97 1.176 -6.536 0.382 701 HG13 VAL 97 HG13 VAL 97 0.489 -5.784 1.826 702 HG21 VAL 97 HG21 VAL 97 0.518 -5.554 -1.978 703 HG22 VAL 97 HG22 VAL 97 1.058 -3.973 -1.401 704 HG23 VAL 97 HG23 VAL 97 -0.582 -4.170 -2.024 705 H VAL 98 H VAL 98 -1.522 -6.556 -2.506 706 HA VAL 98 HA VAL 98 -1.107 -9.413 -2.285 707 HB VAL 98 HB VAL 98 -1.067 -9.424 -4.755 708 HG11 VAL 98 HG11 VAL 98 -3.311 -7.685 -3.667 709 HG12 VAL 98 HG12 VAL 98 -3.268 -9.450 -3.664 710 HG13 VAL 98 HG13 VAL 98 -3.341 -8.574 -5.194 711 HG21 VAL 98 HG21 VAL 98 0.171 -7.348 -5.177 712 HG22 VAL 98 HG22 VAL 98 -1.182 -6.387 -4.574 713 HG23 VAL 98 HG23 VAL 98 -1.360 -7.328 -6.057 714 H LEU 99 H LEU 99 0.699 -10.558 -3.248 715 HA LEU 99 HA LEU 99 3.199 -9.022 -3.720 716 HB2 LEU 99 HB2 LEU 99 2.771 -11.955 -2.996 717 HB3 LEU 99 HB3 LEU 99 4.322 -11.315 -3.520 718 HG LEU 99 HG LEU 99 2.835 -10.468 -0.997 719 HD11 LEU 99 HD11 LEU 99 4.598 -11.621 0.236 720 HD12 LEU 99 HD12 LEU 99 5.338 -12.164 -1.273 721 HD13 LEU 99 HD13 LEU 99 3.734 -12.742 -0.813 722 HD21 LEU 99 HD21 LEU 99 5.575 -9.637 -2.011 723 HD22 LEU 99 HD22 LEU 99 4.889 -9.231 -0.434 724 HD23 LEU 99 HD23 LEU 99 4.137 -8.615 -1.902 725 H GLN 100 H GLN 100 0.656 -10.721 -5.226 726 HA GLN 100 HA GLN 100 1.984 -11.817 -7.511 727 HB2 GLN 100 HB2 GLN 100 -0.945 -11.099 -7.093 728 HB3 GLN 100 HB3 GLN 100 -0.325 -12.055 -8.438 729 HG2 GLN 100 HG2 GLN 100 0.425 -13.790 -6.846 730 HG3 GLN 100 HG3 GLN 100 -0.212 -12.834 -5.509 731 HE21 GLN 100 HE21 GLN 100 -2.475 -12.688 -5.237 732 HE22 GLN 100 HE22 GLN 100 -3.561 -13.766 -6.033 733 H SER 101 H SER 101 -0.427 -9.155 -7.494 734 HA SER 101 HA SER 101 0.364 -8.074 -9.998 735 HB2 SER 101 HB2 SER 101 -1.914 -7.788 -9.085 736 HB3 SER 101 HB3 SER 101 -1.283 -6.768 -7.794 737 HG SER 101 HG SER 101 -1.101 -6.202 -10.574 738 H THR 102 H THR 102 1.306 -7.287 -6.696 739 HA THR 102 HA THR 102 2.718 -4.880 -7.116 740 HB THR 102 HB THR 102 3.270 -7.027 -5.014 741 HG1 THR 102 HG1 THR 102 1.847 -5.866 -3.744 742 HG21 THR 102 HG21 THR 102 5.155 -5.436 -5.172 743 HG22 THR 102 HG22 THR 102 4.253 -5.188 -3.676 744 HG23 THR 102 HG23 THR 102 4.031 -4.082 -5.032 745 H GLU 103 H GLU 103 4.631 -4.418 -8.030 746 HA GLU 103 HA GLU 103 6.296 -6.573 -9.160 747 HB2 GLU 103 HB2 GLU 103 5.188 -4.445 -10.402 748 HB3 GLU 103 HB3 GLU 103 6.675 -3.674 -9.914 749 HG2 GLU 103 HG2 GLU 103 6.517 -6.194 -11.593 750 HG3 GLU 103 HG3 GLU 103 6.604 -4.570 -12.266 751 H LYS 104 H LYS 104 8.657 -6.224 -9.217 752 HA LYS 104 HA LYS 104 9.969 -5.938 -6.813 753 HB2 LYS 104 HB2 LYS 104 10.806 -7.121 -8.844 754 HB3 LYS 104 HB3 LYS 104 11.083 -5.576 -9.629 755 HG2 LYS 104 HG2 LYS 104 13.161 -6.612 -8.783 756 HG3 LYS 104 HG3 LYS 104 12.848 -5.033 -8.059 757 HD2 LYS 104 HD2 LYS 104 13.637 -6.618 -6.371 758 HD3 LYS 104 HD3 LYS 104 11.985 -6.110 -6.029 759 HE2 LYS 104 HE2 LYS 104 12.194 -8.485 -5.597 760 HE3 LYS 104 HE3 LYS 104 11.173 -8.271 -7.019 761 HZ1 LYS 104 HZ1 LYS 104 13.148 -8.734 -8.387 762 HZ2 LYS 104 HZ2 LYS 104 12.728 -10.032 -7.392 763 HZ3 LYS 104 HZ3 LYS 104 14.038 -9.042 -6.985 764 H SER 105 H SER 105 9.314 -3.375 -9.197 765 HA SER 105 HA SER 105 11.034 -1.361 -8.233 766 HB2 SER 105 HB2 SER 105 8.344 -1.035 -9.597 767 HB3 SER 105 HB3 SER 105 9.520 0.260 -9.374 768 HG SER 105 HG SER 105 9.676 -2.032 -11.014 769 H ALA 106 H ALA 106 7.976 -2.450 -6.895 770 HA ALA 106 HA ALA 106 7.263 -0.262 -5.259 771 HB1 ALA 106 HB1 ALA 106 6.826 -3.217 -4.728 772 HB2 ALA 106 HB2 ALA 106 5.778 -2.176 -5.691 773 HB3 ALA 106 HB3 ALA 106 5.952 -1.886 -3.959 774 H LEU 107 H LEU 107 9.646 -2.794 -4.779 775 HA LEU 107 HA LEU 107 10.066 -2.596 -1.990 776 HB2 LEU 107 HB2 LEU 107 11.804 -3.619 -4.255 777 HB3 LEU 107 HB3 LEU 107 12.389 -3.607 -2.601 778 HG LEU 107 HG LEU 107 10.517 -5.108 -1.933 779 HD11 LEU 107 HD11 LEU 107 9.835 -5.263 -4.878 780 HD12 LEU 107 HD12 LEU 107 8.830 -4.577 -3.598 781 HD13 LEU 107 HD13 LEU 107 9.182 -6.303 -3.609 782 HD21 LEU 107 HD21 LEU 107 12.269 -6.185 -4.158 783 HD22 LEU 107 HD22 LEU 107 11.420 -7.156 -2.955 784 HD23 LEU 107 HD23 LEU 107 12.698 -6.054 -2.451 785 H ARG 108 H ARG 108 11.150 -0.574 -4.584 786 HA ARG 108 HA ARG 108 13.372 0.695 -3.277 787 HB2 ARG 108 HB2 ARG 108 11.708 1.624 -5.651 788 HB3 ARG 108 HB3 ARG 108 13.291 2.251 -5.191 789 HG2 ARG 108 HG2 ARG 108 14.269 -0.009 -5.610 790 HG3 ARG 108 HG3 ARG 108 12.684 -0.566 -6.157 791 HD2 ARG 108 HD2 ARG 108 14.142 0.016 -8.054 792 HD3 ARG 108 HD3 ARG 108 12.730 1.075 -7.991 793 HE ARG 108 HE ARG 108 14.438 2.596 -6.697 794 HH11 ARG 108 HH11 ARG 108 15.159 0.705 -9.499 795 HH12 ARG 108 HH12 ARG 108 16.325 1.835 -10.076 796 HH21 ARG 108 HH21 ARG 108 15.953 3.998 -7.431 797 HH22 ARG 108 HH22 ARG 108 16.782 3.670 -8.910 798 H TYR 109 H TYR 109 10.027 1.021 -2.836 799 HA TYR 109 HA TYR 109 10.226 3.753 -1.675 800 HB2 TYR 109 HB2 TYR 109 7.825 2.289 -2.865 801 HB3 TYR 109 HB3 TYR 109 7.711 3.824 -2.017 802 HD1 TYR 109 HD1 TYR 109 9.172 2.199 -5.062 803 HD2 TYR 109 HD2 TYR 109 8.075 5.869 -3.159 804 HE1 TYR 109 HE1 TYR 109 9.523 3.404 -7.179 805 HE2 TYR 109 HE2 TYR 109 8.443 7.074 -5.261 806 HH TYR 109 HH TYR 109 9.687 6.813 -7.350 807 H VAL 110 H VAL 110 8.701 0.531 -1.231 808 HA VAL 110 HA VAL 110 7.973 1.256 1.560 809 HB VAL 110 HB VAL 110 6.052 0.917 0.017 810 HG11 VAL 110 HG11 VAL 110 5.454 -1.315 -0.839 811 HG12 VAL 110 HG12 VAL 110 6.984 -1.956 -0.240 812 HG13 VAL 110 HG13 VAL 110 6.979 -0.749 -1.525 813 HG21 VAL 110 HG21 VAL 110 5.798 0.477 2.434 814 HG22 VAL 110 HG22 VAL 110 6.234 -1.214 2.163 815 HG23 VAL 110 HG23 VAL 110 4.754 -0.566 1.469 816 H SER 111 H SER 111 9.708 -1.017 -0.379 817 HA SER 111 HA SER 111 11.025 -2.801 -0.002 818 HB2 SER 111 HB2 SER 111 11.901 -1.822 2.050 819 HB3 SER 111 HB3 SER 111 10.497 -2.363 2.967 820 HG SER 111 HG SER 111 12.404 -3.698 3.175 821 H LEU 112 H LEU 112 10.897 -5.011 0.139 822 HA LEU 112 HA LEU 112 8.430 -6.271 -0.220 823 HB2 LEU 112 HB2 LEU 112 10.349 -7.206 -1.216 824 HB3 LEU 112 HB3 LEU 112 11.220 -7.249 0.284 825 HG LEU 112 HG LEU 112 8.836 -9.071 0.018 826 HD11 LEU 112 HD11 LEU 112 11.506 -9.710 -1.275 827 HD12 LEU 112 HD12 LEU 112 10.001 -9.377 -2.133 828 HD13 LEU 112 HD13 LEU 112 10.131 -10.809 -1.113 829 HD21 LEU 112 HD21 LEU 112 11.554 -9.405 1.354 830 HD22 LEU 112 HD22 LEU 112 10.266 -10.615 1.354 831 HD23 LEU 112 HD23 LEU 112 10.012 -9.066 2.159 832 H ALA 113 H ALA 113 10.402 -5.962 2.705 833 HA ALA 113 HA ALA 113 9.268 -7.952 4.321 834 HB1 ALA 113 HB1 ALA 113 11.336 -6.737 4.875 835 HB2 ALA 113 HB2 ALA 113 10.197 -6.690 6.223 836 HB3 ALA 113 HB3 ALA 113 10.404 -5.272 5.192 837 H ASP 114 H ASP 114 8.173 -4.602 3.826 838 HA ASP 114 HA ASP 114 6.041 -4.565 5.711 839 HB2 ASP 114 HB2 ASP 114 7.190 -2.589 4.482 840 HB3 ASP 114 HB3 ASP 114 6.125 -2.957 3.136 841 H LEU 115 H LEU 115 6.227 -5.360 2.253 842 HA LEU 115 HA LEU 115 3.493 -5.596 1.631 843 HB2 LEU 115 HB2 LEU 115 5.821 -7.134 0.424 844 HB3 LEU 115 HB3 LEU 115 4.249 -6.890 -0.326 845 HG LEU 115 HG LEU 115 6.266 -4.682 0.256 846 HD11 LEU 115 HD11 LEU 115 5.575 -5.983 -2.386 847 HD12 LEU 115 HD12 LEU 115 7.084 -6.188 -1.486 848 HD13 LEU 115 HD13 LEU 115 6.662 -4.607 -2.143 849 HD21 LEU 115 HD21 LEU 115 3.966 -3.870 0.270 850 HD22 LEU 115 HD22 LEU 115 3.687 -4.586 -1.321 851 HD23 LEU 115 HD23 LEU 115 4.855 -3.275 -1.129 852 H GLN 116 H GLN 116 5.896 -7.934 2.686 853 HA GLN 116 HA GLN 116 4.226 -10.265 2.607 854 HB2 GLN 116 HB2 GLN 116 6.961 -9.827 3.862 855 HB3 GLN 116 HB3 GLN 116 6.212 -11.386 3.536 856 HG2 GLN 116 HG2 GLN 116 6.092 -10.226 1.049 857 HG3 GLN 116 HG3 GLN 116 7.553 -9.497 1.688 858 HE21 GLN 116 HE21 GLN 116 7.192 -11.451 -0.480 859 HE22 GLN 116 HE22 GLN 116 8.194 -12.784 -0.069 860 H ALA 117 H ALA 117 5.269 -8.025 5.122 861 HA ALA 117 HA ALA 117 4.238 -9.323 7.409 862 HB1 ALA 117 HB1 ALA 117 4.332 -6.332 6.849 863 HB2 ALA 117 HB2 ALA 117 5.652 -7.302 7.505 864 HB3 ALA 117 HB3 ALA 117 4.174 -7.089 8.441 865 H HIS 118 H HIS 118 2.535 -7.897 4.744 866 HA HIS 118 HA HIS 118 -0.080 -8.205 6.128 867 HB2 HIS 118 HB2 HIS 118 0.645 -6.173 3.972 868 HB3 HIS 118 HB3 HIS 118 -0.942 -6.353 4.728 869 HD1 HIS 118 HD1 HIS 118 2.374 -4.782 5.211 870 HD2 HIS 118 HD2 HIS 118 -1.014 -5.531 7.497 871 HE1 HIS 118 HE1 HIS 118 2.689 -3.470 7.310 872 HE2 HIS 118 HE2 HIS 118 0.561 -3.808 8.598 873 H ALA 119 H ALA 119 1.792 -9.752 3.938 874 HA ALA 119 HA ALA 119 -0.548 -10.790 2.438 875 HB1 ALA 119 HB1 ALA 119 2.239 -10.422 1.289 876 HB2 ALA 119 HB2 ALA 119 0.835 -9.417 0.923 877 HB3 ALA 119 HB3 ALA 119 0.851 -11.117 0.447 878 H LEU 120 H LEU 120 2.796 -12.042 2.227 879 HA LEU 120 HA LEU 120 2.455 -14.174 4.121 880 HB2 LEU 120 HB2 LEU 120 2.593 -16.012 2.547 881 HB3 LEU 120 HB3 LEU 120 1.151 -15.086 2.233 882 HG LEU 120 HG LEU 120 3.541 -14.381 0.554 883 HD11 LEU 120 HD11 LEU 120 2.091 -16.998 0.094 884 HD12 LEU 120 HD12 LEU 120 3.778 -16.801 0.590 885 HD13 LEU 120 HD13 LEU 120 3.255 -16.240 -0.998 886 HD21 LEU 120 HD21 LEU 120 1.383 -13.258 0.220 887 HD22 LEU 120 HD22 LEU 120 0.617 -14.806 -0.142 888 HD23 LEU 120 HD23 LEU 120 1.861 -14.160 -1.217 889 HA PRO 121 HA PRO 121 6.994 -14.166 4.068 890 HB2 PRO 121 HB2 PRO 121 6.887 -17.178 4.092 891 HB3 PRO 121 HB3 PRO 121 7.698 -16.072 5.202 892 HG2 PRO 121 HG2 PRO 121 5.459 -17.309 5.951 893 HG3 PRO 121 HG3 PRO 121 5.728 -15.607 6.391 894 HD2 PRO 121 HD2 PRO 121 4.009 -16.737 4.170 895 HD3 PRO 121 HD3 PRO 121 3.654 -15.427 5.320 896 H VAL 122 H VAL 122 8.739 -14.362 2.639 897 HA VAL 122 HA VAL 122 8.277 -15.098 -0.084 898 HB VAL 122 HB VAL 122 9.824 -13.281 0.426 899 HG11 VAL 122 HG11 VAL 122 12.040 -13.606 1.457 900 HG12 VAL 122 HG12 VAL 122 11.657 -15.303 1.758 901 HG13 VAL 122 HG13 VAL 122 10.737 -14.037 2.571 902 HG21 VAL 122 HG21 VAL 122 11.298 -15.594 -0.888 903 HG22 VAL 122 HG22 VAL 122 11.722 -13.887 -1.043 904 HG23 VAL 122 HG23 VAL 122 10.188 -14.477 -1.686 905 H LEU 123 H LEU 123 8.383 -17.056 -0.974 906 HA LEU 123 HA LEU 123 9.281 -19.376 0.509 907 HB2 LEU 123 HB2 LEU 123 7.259 -19.035 -1.267 908 HB3 LEU 123 HB3 LEU 123 8.492 -19.606 -2.369 909 HG LEU 123 HG LEU 123 7.496 -21.132 0.076 910 HD11 LEU 123 HD11 LEU 123 6.364 -22.627 -1.512 911 HD12 LEU 123 HD12 LEU 123 6.846 -21.579 -2.848 912 HD13 LEU 123 HD13 LEU 123 5.749 -20.977 -1.604 913 HD21 LEU 123 HD21 LEU 123 8.719 -23.075 -0.838 914 HD22 LEU 123 HD22 LEU 123 9.810 -21.750 -0.443 915 HD23 LEU 123 HD23 LEU 123 9.378 -22.060 -2.126 916 H GLU 124 H GLU 124 11.442 -18.542 0.669 917 HA GLU 124 HA GLU 124 13.251 -19.370 -1.488 918 HB2 GLU 124 HB2 GLU 124 13.039 -16.987 -1.907 919 HB3 GLU 124 HB3 GLU 124 13.239 -16.603 -0.202 920 HG2 GLU 124 HG2 GLU 124 15.241 -16.048 -1.563 921 HG3 GLU 124 HG3 GLU 124 15.587 -17.199 -0.278 922 H HIS 125 H HIS 125 14.437 -20.856 -0.567 923 HA HIS 125 HA HIS 125 16.223 -20.387 1.594 924 HB2 HIS 125 HB2 HIS 125 13.977 -20.800 2.801 925 HB3 HIS 125 HB3 HIS 125 14.044 -22.450 2.204 926 HD1 HIS 125 HD1 HIS 125 15.414 -24.088 3.525 927 HD2 HIS 125 HD2 HIS 125 16.072 -20.169 4.726 928 HE1 HIS 125 HE1 HIS 125 16.805 -24.252 5.595 929 HE2 HIS 125 HE2 HIS 125 17.216 -21.876 6.301 930 H HIS 126 H HIS 126 16.040 -21.449 -1.275 931 HA HIS 126 HA HIS 126 16.445 -24.312 -1.102 932 HB2 HIS 126 HB2 HIS 126 16.547 -24.350 -3.530 933 HB3 HIS 126 HB3 HIS 126 15.186 -23.378 -3.008 934 HD1 HIS 126 HD1 HIS 126 15.363 -20.757 -3.488 935 HD2 HIS 126 HD2 HIS 126 18.393 -23.060 -5.152 936 HE1 HIS 126 HE1 HIS 126 16.442 -19.307 -5.232 937 HE2 HIS 126 HE2 HIS 126 18.324 -20.688 -6.153 938 H HIS 127 H HIS 127 18.244 -24.382 0.290 939 HA HIS 127 HA HIS 127 20.864 -24.179 -1.064 940 HB2 HIS 127 HB2 HIS 127 20.328 -23.099 1.743 941 HB3 HIS 127 HB3 HIS 127 21.908 -23.201 0.973 942 HD1 HIS 127 HD1 HIS 127 19.071 -20.976 1.408 943 HD2 HIS 127 HD2 HIS 127 22.131 -21.415 -1.372 944 HE1 HIS 127 HE1 HIS 127 19.101 -18.838 0.102 945 HE2 HIS 127 HE2 HIS 127 20.897 -19.150 -1.621 946 H HIS 128 H HIS 128 21.248 -26.346 -1.181 947 HA HIS 128 HA HIS 128 21.636 -27.802 1.380 948 HB2 HIS 128 HB2 HIS 128 20.762 -29.037 -1.277 949 HB3 HIS 128 HB3 HIS 128 21.164 -29.944 0.175 950 HD1 HIS 128 HD1 HIS 128 19.356 -30.229 1.908 951 HD2 HIS 128 HD2 HIS 128 18.278 -27.590 -1.112 952 HE1 HIS 128 HE1 HIS 128 16.919 -29.788 2.246 953 HE2 HIS 128 HE2 HIS 128 16.246 -28.353 0.297 954 H HIS 129 H HIS 129 23.775 -27.018 1.432 955 HA HIS 129 HA HIS 129 25.715 -28.548 -0.102 956 HB2 HIS 129 HB2 HIS 129 25.267 -26.550 -1.573 957 HB3 HIS 129 HB3 HIS 129 25.770 -25.491 -0.261 958 HD1 HIS 129 HD1 HIS 129 27.153 -28.049 -2.678 959 HD2 HIS 129 HD2 HIS 129 28.524 -25.134 -0.052 960 HE1 HIS 129 HE1 HIS 129 29.615 -27.872 -3.100 961 HE2 HIS 129 HE2 HIS 129 30.388 -25.985 -1.630 962 H HIS 130 H HIS 130 27.349 -29.100 1.249 963 HA HIS 130 HA HIS 130 28.121 -27.271 3.464 964 HB2 HIS 130 HB2 HIS 130 26.981 -29.327 4.332 965 HB3 HIS 130 HB3 HIS 130 28.188 -30.328 3.534 966 HD1 HIS 130 HD1 HIS 130 30.662 -30.156 4.498 967 HD2 HIS 130 HD2 HIS 130 27.736 -28.318 6.803 968 HE1 HIS 130 HE1 HIS 130 31.737 -29.722 6.721 969 HE2 HIS 130 HE2 HIS 130 30.011 -28.440 8.022 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -7.016 24.554 -18.513 2 H2 MET 1 H2 MET 1 -7.438 25.155 -20.035 3 H3 MET 1 H3 MET 1 -6.614 26.143 -18.938 4 HA MET 1 HA MET 1 -5.113 25.386 -20.629 5 HB2 MET 1 HB2 MET 1 -4.651 24.062 -17.924 6 HB3 MET 1 HB3 MET 1 -3.403 24.255 -19.147 7 HG2 MET 1 HG2 MET 1 -3.529 26.676 -18.947 8 HG3 MET 1 HG3 MET 1 -4.874 26.538 -17.813 9 HE1 MET 1 HE1 MET 1 -0.577 25.114 -16.803 10 HE2 MET 1 HE2 MET 1 -1.009 25.826 -18.357 11 HE3 MET 1 HE3 MET 1 -1.623 24.231 -17.915 12 H GLY 2 H GLY 2 -6.210 22.525 -18.721 13 HA2 GLY 2 HA2 GLY 2 -6.628 20.902 -21.074 14 HA3 GLY 2 HA3 GLY 2 -5.140 20.486 -20.232 15 H GLN 3 H GLN 3 -8.615 20.374 -20.150 16 HA GLN 3 HA GLN 3 -8.559 18.616 -17.748 17 HB2 GLN 3 HB2 GLN 3 -9.784 20.712 -17.298 18 HB3 GLN 3 HB3 GLN 3 -10.787 20.461 -18.723 19 HG2 GLN 3 HG2 GLN 3 -11.699 18.378 -17.647 20 HG3 GLN 3 HG3 GLN 3 -10.768 18.764 -16.199 21 HE21 GLN 3 HE21 GLN 3 -13.502 19.679 -18.177 22 HE22 GLN 3 HE22 GLN 3 -14.230 20.737 -17.022 23 H GLY 4 H GLY 4 -8.697 16.537 -18.482 24 HA2 GLY 4 HA2 GLY 4 -10.450 15.734 -20.690 25 HA3 GLY 4 HA3 GLY 4 -9.468 14.682 -19.679 26 H GLN 5 H GLN 5 -11.183 13.208 -19.290 27 HA GLN 5 HA GLN 5 -13.066 14.121 -17.192 28 HB2 GLN 5 HB2 GLN 5 -13.698 12.337 -19.570 29 HB3 GLN 5 HB3 GLN 5 -14.675 12.290 -18.100 30 HG2 GLN 5 HG2 GLN 5 -15.261 14.629 -18.345 31 HG3 GLN 5 HG3 GLN 5 -14.159 14.804 -19.702 32 HE21 GLN 5 HE21 GLN 5 -17.228 13.515 -18.650 33 HE22 GLN 5 HE22 GLN 5 -17.873 13.240 -20.228 34 H ASN 6 H ASN 6 -12.798 13.101 -15.369 35 HA ASN 6 HA ASN 6 -11.541 10.473 -15.143 36 HB2 ASN 6 HB2 ASN 6 -9.708 11.478 -13.655 37 HB3 ASN 6 HB3 ASN 6 -9.565 11.808 -15.376 38 HD21 ASN 6 HD21 ASN 6 -10.056 13.198 -12.258 39 HD22 ASN 6 HD22 ASN 6 -10.010 14.846 -12.756 40 H VAL 7 H VAL 7 -13.256 9.731 -14.084 41 HA VAL 7 HA VAL 7 -13.737 10.365 -11.301 42 HB VAL 7 HB VAL 7 -16.366 10.428 -11.848 43 HG11 VAL 7 HG11 VAL 7 -14.645 12.889 -12.224 44 HG12 VAL 7 HG12 VAL 7 -15.212 12.234 -10.686 45 HG13 VAL 7 HG13 VAL 7 -16.372 12.882 -11.848 46 HG21 VAL 7 HG21 VAL 7 -15.261 11.615 -14.438 47 HG22 VAL 7 HG22 VAL 7 -16.954 11.634 -13.934 48 HG23 VAL 7 HG23 VAL 7 -16.160 10.102 -14.304 49 H LEU 8 H LEU 8 -14.919 8.667 -14.175 50 HA LEU 8 HA LEU 8 -16.037 6.476 -12.560 51 HB2 LEU 8 HB2 LEU 8 -16.422 7.230 -15.470 52 HB3 LEU 8 HB3 LEU 8 -17.258 5.943 -14.631 53 HG LEU 8 HG LEU 8 -17.487 8.870 -13.888 54 HD11 LEU 8 HD11 LEU 8 -19.722 8.800 -14.876 55 HD12 LEU 8 HD12 LEU 8 -19.433 7.148 -15.427 56 HD13 LEU 8 HD13 LEU 8 -18.466 8.477 -16.070 57 HD21 LEU 8 HD21 LEU 8 -17.868 7.409 -11.960 58 HD22 LEU 8 HD22 LEU 8 -19.055 6.472 -12.869 59 HD23 LEU 8 HD23 LEU 8 -19.380 8.161 -12.467 60 H GLY 9 H GLY 9 -13.523 7.096 -14.941 61 HA2 GLY 9 HA2 GLY 9 -11.735 5.788 -15.625 62 HA3 GLY 9 HA3 GLY 9 -12.317 4.487 -14.600 63 H GLN 10 H GLN 10 -12.401 5.888 -17.792 64 HA GLN 10 HA GLN 10 -13.680 3.498 -18.925 65 HB2 GLN 10 HB2 GLN 10 -14.989 5.044 -20.491 66 HB3 GLN 10 HB3 GLN 10 -15.551 5.008 -18.822 67 HG2 GLN 10 HG2 GLN 10 -14.521 7.151 -18.358 68 HG3 GLN 10 HG3 GLN 10 -13.730 7.164 -19.932 69 HE21 GLN 10 HE21 GLN 10 -16.807 7.502 -18.278 70 HE22 GLN 10 HE22 GLN 10 -17.632 8.273 -19.582 71 H ASP 11 H ASP 11 -13.340 3.400 -21.308 72 HA ASP 11 HA ASP 11 -11.903 3.055 -23.005 73 HB2 ASP 11 HB2 ASP 11 -12.227 5.580 -23.210 74 HB3 ASP 11 HB3 ASP 11 -10.710 5.784 -22.345 75 H LEU 12 H LEU 12 -11.247 2.048 -20.439 76 HA LEU 12 HA LEU 12 -8.390 2.361 -19.935 77 HB2 LEU 12 HB2 LEU 12 -10.200 2.347 -18.145 78 HB3 LEU 12 HB3 LEU 12 -10.443 0.644 -18.467 79 HG LEU 12 HG LEU 12 -7.711 1.664 -17.590 80 HD11 LEU 12 HD11 LEU 12 -8.303 1.259 -15.245 81 HD12 LEU 12 HD12 LEU 12 -9.974 0.925 -15.706 82 HD13 LEU 12 HD13 LEU 12 -9.297 2.540 -15.942 83 HD21 LEU 12 HD21 LEU 12 -7.793 -0.668 -18.380 84 HD22 LEU 12 HD22 LEU 12 -9.062 -1.042 -17.211 85 HD23 LEU 12 HD23 LEU 12 -7.444 -0.605 -16.652 86 H GLU 13 H GLU 13 -6.859 0.916 -20.560 87 HA GLU 13 HA GLU 13 -7.655 -1.661 -21.810 88 HB2 GLU 13 HB2 GLU 13 -5.506 -1.575 -23.031 89 HB3 GLU 13 HB3 GLU 13 -6.464 -0.134 -23.349 90 HG2 GLU 13 HG2 GLU 13 -5.070 1.199 -21.890 91 HG3 GLU 13 HG3 GLU 13 -4.208 -0.227 -21.330 92 H VAL 14 H VAL 14 -6.415 -3.559 -21.333 93 HA VAL 14 HA VAL 14 -4.206 -3.491 -19.474 94 HB VAL 14 HB VAL 14 -6.155 -3.529 -17.916 95 HG11 VAL 14 HG11 VAL 14 -7.797 -4.743 -19.287 96 HG12 VAL 14 HG12 VAL 14 -7.607 -5.517 -17.713 97 HG13 VAL 14 HG13 VAL 14 -6.849 -6.228 -19.140 98 HG21 VAL 14 HG21 VAL 14 -4.003 -4.515 -17.221 99 HG22 VAL 14 HG22 VAL 14 -4.501 -6.085 -17.856 100 HG23 VAL 14 HG23 VAL 14 -5.357 -5.380 -16.482 101 H CYS 15 H CYS 15 -2.803 -5.184 -19.775 102 HA CYS 15 HA CYS 15 -3.410 -7.199 -21.830 103 HB2 CYS 15 HB2 CYS 15 -0.779 -6.478 -20.474 104 HB3 CYS 15 HB3 CYS 15 -0.961 -7.687 -21.744 105 HG CYS 15 HG CYS 15 -2.164 -5.425 -23.366 106 H CYS 16 H CYS 16 -1.407 -7.472 -18.870 107 HA CYS 16 HA CYS 16 -1.183 -9.004 -17.235 108 HB2 CYS 16 HB2 CYS 16 -3.190 -7.857 -16.414 109 HB3 CYS 16 HB3 CYS 16 -4.218 -8.979 -17.297 110 HG CYS 16 HG CYS 16 -2.249 -10.781 -15.418 111 H CYS 17 H CYS 17 -0.175 -10.815 -17.978 112 HA CYS 17 HA CYS 17 0.184 -13.044 -18.183 113 HB2 CYS 17 HB2 CYS 17 -2.806 -13.475 -17.824 114 HB3 CYS 17 HB3 CYS 17 -1.524 -14.666 -17.574 115 HG CYS 17 HG CYS 17 -2.906 -13.125 -15.279 116 H ALA 18 H ALA 18 -1.501 -11.322 -20.441 117 HA ALA 18 HA ALA 18 -2.312 -13.319 -22.327 118 HB1 ALA 18 HB1 ALA 18 -1.803 -10.336 -22.700 119 HB2 ALA 18 HB2 ALA 18 -3.335 -11.071 -22.222 120 HB3 ALA 18 HB3 ALA 18 -2.670 -11.388 -23.824 121 HA PRO 19 HA PRO 19 1.619 -13.991 -24.593 122 HB2 PRO 19 HB2 PRO 19 0.714 -13.946 -27.243 123 HB3 PRO 19 HB3 PRO 19 0.648 -15.357 -26.179 124 HG2 PRO 19 HG2 PRO 19 -1.515 -13.355 -26.810 125 HG3 PRO 19 HG3 PRO 19 -1.635 -15.121 -26.681 126 HD2 PRO 19 HD2 PRO 19 -2.464 -13.537 -24.671 127 HD3 PRO 19 HD3 PRO 19 -1.644 -15.077 -24.324 128 H MET 20 H MET 20 3.117 -12.474 -24.759 129 HA MET 20 HA MET 20 4.323 -10.631 -25.159 130 HB2 MET 20 HB2 MET 20 3.572 -11.091 -27.562 131 HB3 MET 20 HB3 MET 20 2.339 -9.860 -27.336 132 HG2 MET 20 HG2 MET 20 4.057 -8.153 -27.003 133 HG3 MET 20 HG3 MET 20 5.327 -9.373 -27.109 134 HE1 MET 20 HE1 MET 20 5.936 -10.683 -29.361 135 HE2 MET 20 HE2 MET 20 5.080 -10.451 -30.885 136 HE3 MET 20 HE3 MET 20 4.264 -11.227 -29.528 137 H THR 21 H THR 21 2.511 -10.577 -23.072 138 HA THR 21 HA THR 21 1.188 -8.105 -22.690 139 HB THR 21 HB THR 21 2.449 -10.059 -20.718 140 HG1 THR 21 HG1 THR 21 0.583 -10.942 -21.100 141 HG21 THR 21 HG21 THR 21 0.850 -7.581 -19.991 142 HG22 THR 21 HG22 THR 21 2.546 -7.869 -19.600 143 HG23 THR 21 HG23 THR 21 1.287 -8.874 -18.877 144 H GLY 22 H GLY 22 2.186 -6.199 -23.096 145 HA2 GLY 22 HA2 GLY 22 3.724 -4.653 -21.702 146 HA3 GLY 22 HA3 GLY 22 4.993 -5.745 -22.235 147 H TRP 23 H TRP 23 3.511 -5.991 -24.924 148 HA TRP 23 HA TRP 23 4.941 -4.117 -26.440 149 HB2 TRP 23 HB2 TRP 23 3.945 -6.252 -27.324 150 HB3 TRP 23 HB3 TRP 23 2.351 -5.513 -27.263 151 HD1 TRP 23 HD1 TRP 23 5.654 -5.375 -29.259 152 HE1 TRP 23 HE1 TRP 23 5.214 -4.221 -31.515 153 HE3 TRP 23 HE3 TRP 23 0.832 -3.820 -28.476 154 HZ2 TRP 23 HZ2 TRP 23 3.123 -2.842 -32.797 155 HZ3 TRP 23 HZ3 TRP 23 -0.315 -2.583 -30.270 156 HH2 TRP 23 HH2 TRP 23 0.810 -2.103 -32.390 157 H TYR 24 H TYR 24 1.503 -4.012 -25.445 158 HA TYR 24 HA TYR 24 0.925 -1.409 -26.477 159 HB2 TYR 24 HB2 TYR 24 -0.478 -3.123 -24.385 160 HB3 TYR 24 HB3 TYR 24 -1.102 -1.560 -24.912 161 HD1 TYR 24 HD1 TYR 24 -2.011 -1.261 -27.187 162 HD2 TYR 24 HD2 TYR 24 -0.575 -5.085 -25.902 163 HE1 TYR 24 HE1 TYR 24 -3.120 -2.320 -29.102 164 HE2 TYR 24 HE2 TYR 24 -1.691 -6.143 -27.827 165 HH TYR 24 HH TYR 24 -2.941 -4.340 -30.451 166 H ARG 25 H ARG 25 2.326 -2.537 -23.483 167 HA ARG 25 HA ARG 25 3.457 -1.576 -21.805 168 HB2 ARG 25 HB2 ARG 25 4.523 -0.145 -23.497 169 HB3 ARG 25 HB3 ARG 25 3.203 1.013 -23.374 170 HG2 ARG 25 HG2 ARG 25 3.846 1.432 -20.984 171 HG3 ARG 25 HG3 ARG 25 5.221 0.346 -21.198 172 HD2 ARG 25 HD2 ARG 25 5.905 2.702 -21.401 173 HD3 ARG 25 HD3 ARG 25 6.147 1.836 -22.921 174 HE ARG 25 HE ARG 25 4.177 2.919 -23.801 175 HH11 ARG 25 HH11 ARG 25 5.319 4.320 -20.859 176 HH12 ARG 25 HH12 ARG 25 4.553 5.835 -21.164 177 HH21 ARG 25 HH21 ARG 25 3.219 4.864 -24.174 178 HH22 ARG 25 HH22 ARG 25 3.401 6.145 -23.028 179 H ASN 26 H ASN 26 1.092 0.987 -22.642 180 HA ASN 26 HA ASN 26 0.598 2.140 -20.236 181 HB2 ASN 26 HB2 ASN 26 -0.272 2.930 -22.406 182 HB3 ASN 26 HB3 ASN 26 -1.423 1.602 -22.448 183 HD21 ASN 26 HD21 ASN 26 -3.233 2.920 -22.531 184 HD22 ASN 26 HD22 ASN 26 -3.743 3.906 -21.206 185 H GLY 27 H GLY 27 -1.257 -0.687 -21.472 186 HA2 GLY 27 HA2 GLY 27 -2.897 -0.919 -19.094 187 HA3 GLY 27 HA3 GLY 27 -2.908 -1.970 -20.488 188 H PHE 28 H PHE 28 0.179 -1.533 -18.917 189 HA PHE 28 HA PHE 28 -0.136 -3.548 -16.883 190 HB2 PHE 28 HB2 PHE 28 0.066 -5.070 -18.781 191 HB3 PHE 28 HB3 PHE 28 1.451 -4.190 -19.416 192 HD1 PHE 28 HD2 PHE 28 0.335 -6.197 -16.460 193 HD2 PHE 28 HD1 PHE 28 3.640 -4.871 -18.826 194 HE1 PHE 28 HE2 PHE 28 1.836 -7.693 -15.205 195 HE2 PHE 28 HE1 PHE 28 5.143 -6.374 -17.567 196 HZ PHE 28 HZ PHE 28 4.238 -7.784 -15.757 197 H CYS 29 H CYS 29 2.517 -2.392 -18.967 198 HA CYS 29 HA CYS 29 4.262 -1.772 -16.717 199 HB2 CYS 29 HB2 CYS 29 5.172 -2.837 -18.777 200 HB3 CYS 29 HB3 CYS 29 4.712 -1.418 -19.712 201 HG CYS 29 HG CYS 29 7.567 -1.746 -18.977 202 H GLN 30 H GLN 30 2.476 -0.222 -16.045 203 HA GLN 30 HA GLN 30 2.470 2.409 -17.322 204 HB2 GLN 30 HB2 GLN 30 0.754 2.917 -15.491 205 HB3 GLN 30 HB3 GLN 30 0.313 1.681 -16.664 206 HG2 GLN 30 HG2 GLN 30 1.088 -0.043 -14.926 207 HG3 GLN 30 HG3 GLN 30 1.148 1.290 -13.775 208 HE21 GLN 30 HE21 GLN 30 -1.311 0.949 -16.310 209 HE22 GLN 30 HE22 GLN 30 -2.621 0.657 -15.229 210 H THR 31 H THR 31 4.870 2.155 -16.787 211 HA THR 31 HA THR 31 5.754 3.148 -14.155 212 HB THR 31 HB THR 31 6.962 1.238 -15.157 213 HG1 THR 31 HG1 THR 31 8.671 3.509 -15.338 214 HG21 THR 31 HG21 THR 31 7.619 3.085 -17.479 215 HG22 THR 31 HG22 THR 31 6.562 1.673 -17.546 216 HG23 THR 31 HG23 THR 31 8.288 1.465 -17.236 217 H ASP 32 H ASP 32 4.196 4.984 -15.593 218 HA ASP 32 HA ASP 32 3.953 6.908 -16.705 219 HB2 ASP 32 HB2 ASP 32 6.848 7.463 -15.956 220 HB3 ASP 32 HB3 ASP 32 5.689 8.668 -16.510 221 H VAL 33 H VAL 33 7.394 6.589 -17.623 222 HA VAL 33 HA VAL 33 6.649 5.461 -20.264 223 HB VAL 33 HB VAL 33 8.778 7.624 -19.816 224 HG11 VAL 33 HG11 VAL 33 9.204 7.490 -22.271 225 HG12 VAL 33 HG12 VAL 33 8.115 6.106 -22.378 226 HG13 VAL 33 HG13 VAL 33 9.610 5.982 -21.449 227 HG21 VAL 33 HG21 VAL 33 7.421 9.006 -21.381 228 HG22 VAL 33 HG22 VAL 33 6.507 8.573 -19.934 229 HG23 VAL 33 HG23 VAL 33 6.206 7.722 -21.451 230 H GLN 34 H GLN 34 9.285 6.086 -17.953 231 HA GLN 34 HA GLN 34 10.154 3.326 -17.940 232 HB2 GLN 34 HB2 GLN 34 12.537 3.873 -18.576 233 HB3 GLN 34 HB3 GLN 34 11.389 4.007 -19.899 234 HG2 GLN 34 HG2 GLN 34 11.395 6.455 -19.691 235 HG3 GLN 34 HG3 GLN 34 12.515 6.354 -18.333 236 HE21 GLN 34 HE21 GLN 34 12.825 7.704 -20.921 237 HE22 GLN 34 HE22 GLN 34 14.254 7.043 -21.628 238 H ASP 35 H ASP 35 10.957 6.667 -17.014 239 HA ASP 35 HA ASP 35 11.966 7.660 -15.282 240 HB2 ASP 35 HB2 ASP 35 9.744 7.191 -14.330 241 HB3 ASP 35 HB3 ASP 35 10.337 5.656 -13.699 242 H ARG 36 H ARG 36 14.055 6.969 -15.920 243 HA ARG 36 HA ARG 36 16.203 6.444 -15.465 244 HB2 ARG 36 HB2 ARG 36 15.187 5.513 -12.757 245 HB3 ARG 36 HB3 ARG 36 16.876 5.801 -13.163 246 HG2 ARG 36 HG2 ARG 36 16.623 8.143 -13.158 247 HG3 ARG 36 HG3 ARG 36 14.882 8.060 -13.452 248 HD2 ARG 36 HD2 ARG 36 16.285 7.300 -10.857 249 HD3 ARG 36 HD3 ARG 36 15.342 8.770 -11.142 250 HE ARG 36 HE ARG 36 13.418 7.176 -11.616 251 HH11 ARG 36 HH11 ARG 36 15.854 6.421 -9.264 252 HH12 ARG 36 HH12 ARG 36 14.844 5.267 -8.468 253 HH21 ARG 36 HH21 ARG 36 12.202 5.672 -10.604 254 HH22 ARG 36 HH22 ARG 36 12.822 4.848 -9.208 255 H GLY 37 H GLY 37 13.852 4.070 -15.704 256 HA2 GLY 37 HA2 GLY 37 14.997 2.038 -16.918 257 HA3 GLY 37 HA3 GLY 37 15.602 1.744 -15.289 258 H SER 38 H SER 38 13.412 2.399 -13.718 259 HA SER 38 HA SER 38 11.023 1.022 -14.581 260 HB2 SER 38 HB2 SER 38 12.446 -0.945 -14.087 261 HB3 SER 38 HB3 SER 38 12.755 -0.335 -12.464 262 HG SER 38 HG SER 38 10.429 -1.476 -13.544 263 H HIS 39 H HIS 39 9.271 1.448 -13.301 264 HA HIS 39 HA HIS 39 9.443 2.579 -10.616 265 HB2 HIS 39 HB2 HIS 39 9.841 4.494 -12.269 266 HB3 HIS 39 HB3 HIS 39 8.222 4.211 -12.895 267 HD1 HIS 39 HD1 HIS 39 7.143 6.358 -12.188 268 HD2 HIS 39 HD2 HIS 39 9.130 4.501 -9.050 269 HE1 HIS 39 HE1 HIS 39 6.633 7.741 -10.167 270 HE2 HIS 39 HE2 HIS 39 8.032 6.726 -8.342 271 H THR 40 H THR 40 8.395 0.178 -11.395 272 HA THR 40 HA THR 40 5.529 0.412 -12.017 273 HB THR 40 HB THR 40 5.657 -2.095 -12.306 274 HG1 THR 40 HG1 THR 40 7.393 -2.546 -10.921 275 HG21 THR 40 HG21 THR 40 6.057 -0.643 -14.279 276 HG22 THR 40 HG22 THR 40 7.030 -2.116 -14.348 277 HG23 THR 40 HG23 THR 40 7.778 -0.588 -13.879 278 H VAL 41 H VAL 41 4.426 0.925 -10.163 279 HA VAL 41 HA VAL 41 4.531 -0.995 -7.895 280 HB VAL 41 HB VAL 41 3.696 1.933 -7.640 281 HG11 VAL 41 HG11 VAL 41 2.652 0.413 -5.996 282 HG12 VAL 41 HG12 VAL 41 3.794 1.496 -5.204 283 HG13 VAL 41 HG13 VAL 41 4.244 -0.181 -5.510 284 HG21 VAL 41 HG21 VAL 41 5.836 2.354 -6.457 285 HG22 VAL 41 HG22 VAL 41 6.110 1.884 -8.137 286 HG23 VAL 41 HG23 VAL 41 6.375 0.717 -6.841 287 H CYS 42 H CYS 42 2.816 -2.307 -8.400 288 HA CYS 42 HA CYS 42 0.135 -1.070 -8.687 289 HB2 CYS 42 HB2 CYS 42 1.044 -3.836 -9.589 290 HB3 CYS 42 HB3 CYS 42 -0.599 -3.210 -9.716 291 HG CYS 42 HG CYS 42 -0.272 -1.705 -11.821 292 H ALA 43 H ALA 43 -0.903 -1.069 -6.809 293 HA ALA 43 HA ALA 43 -0.564 -3.188 -4.801 294 HB1 ALA 43 HB1 ALA 43 1.272 -1.593 -4.331 295 HB2 ALA 43 HB2 ALA 43 0.068 -1.556 -3.044 296 HB3 ALA 43 HB3 ALA 43 0.113 -0.264 -4.247 297 H GLU 44 H GLU 44 -2.248 -3.066 -3.129 298 HA GLU 44 HA GLU 44 -4.588 -1.465 -3.991 299 HB2 GLU 44 HB2 GLU 44 -4.655 -3.969 -4.571 300 HB3 GLU 44 HB3 GLU 44 -4.811 -4.267 -2.840 301 HG2 GLU 44 HG2 GLU 44 -6.850 -2.893 -2.788 302 HG3 GLU 44 HG3 GLU 44 -6.664 -2.562 -4.516 303 H MET 45 H MET 45 -5.396 -0.186 -2.493 304 HA MET 45 HA MET 45 -5.206 -0.901 0.382 305 HB2 MET 45 HB2 MET 45 -5.512 1.974 -0.618 306 HB3 MET 45 HB3 MET 45 -5.068 1.403 0.985 307 HG2 MET 45 HG2 MET 45 -2.915 0.497 -0.069 308 HG3 MET 45 HG3 MET 45 -3.338 1.460 -1.486 309 HE1 MET 45 HE1 MET 45 -3.897 4.215 -1.169 310 HE2 MET 45 HE2 MET 45 -3.509 5.074 0.321 311 HE3 MET 45 HE3 MET 45 -4.838 3.913 0.296 312 H THR 46 H THR 46 -7.139 -0.788 1.594 313 HA THR 46 HA THR 46 -9.605 -0.786 -0.071 314 HB THR 46 HB THR 46 -9.289 -2.911 1.056 315 HG1 THR 46 HG1 THR 46 -11.298 -3.069 2.007 316 HG21 THR 46 HG21 THR 46 -9.273 -1.425 3.701 317 HG22 THR 46 HG22 THR 46 -7.873 -2.196 2.952 318 HG23 THR 46 HG23 THR 46 -9.235 -3.178 3.493 319 H GLU 47 H GLU 47 -11.644 -0.108 0.999 320 HA GLU 47 HA GLU 47 -11.580 2.632 1.368 321 HB2 GLU 47 HB2 GLU 47 -13.557 1.239 0.614 322 HB3 GLU 47 HB3 GLU 47 -13.864 0.849 2.306 323 HG2 GLU 47 HG2 GLU 47 -14.107 3.319 2.772 324 HG3 GLU 47 HG3 GLU 47 -13.911 3.612 1.043 325 H GLU 48 H GLU 48 -11.593 0.118 3.811 326 HA GLU 48 HA GLU 48 -12.379 1.536 6.103 327 HB2 GLU 48 HB2 GLU 48 -10.176 -0.563 6.225 328 HB3 GLU 48 HB3 GLU 48 -11.454 -0.244 7.395 329 HG2 GLU 48 HG2 GLU 48 -11.699 -1.632 4.705 330 HG3 GLU 48 HG3 GLU 48 -11.877 -2.358 6.300 331 H PHE 49 H PHE 49 -9.197 1.108 4.688 332 HA PHE 49 HA PHE 49 -7.757 2.674 6.633 333 HB2 PHE 49 HB2 PHE 49 -6.960 1.244 4.071 334 HB3 PHE 49 HB3 PHE 49 -5.804 2.108 5.076 335 HD1 PHE 49 HD2 PHE 49 -8.190 -0.738 5.038 336 HD2 PHE 49 HD1 PHE 49 -4.990 1.138 7.128 337 HE1 PHE 49 HE2 PHE 49 -7.996 -2.708 6.500 338 HE2 PHE 49 HE1 PHE 49 -4.804 -0.826 8.602 339 HZ PHE 49 HZ PHE 49 -6.306 -2.750 8.289 340 H LEU 50 H LEU 50 -8.929 3.231 3.290 341 HA LEU 50 HA LEU 50 -7.534 5.701 2.922 342 HB2 LEU 50 HB2 LEU 50 -9.912 4.493 1.482 343 HB3 LEU 50 HB3 LEU 50 -9.411 6.130 1.143 344 HG LEU 50 HG LEU 50 -7.155 5.302 0.480 345 HD11 LEU 50 HD11 LEU 50 -6.851 2.942 -0.005 346 HD12 LEU 50 HD12 LEU 50 -8.420 2.573 0.710 347 HD13 LEU 50 HD13 LEU 50 -7.118 3.221 1.712 348 HD21 LEU 50 HD21 LEU 50 -9.498 4.193 -1.108 349 HD22 LEU 50 HD22 LEU 50 -7.860 4.446 -1.725 350 HD23 LEU 50 HD23 LEU 50 -8.834 5.826 -1.223 351 H LEU 51 H LEU 51 -10.725 4.928 4.253 352 HA LEU 51 HA LEU 51 -11.743 7.561 4.494 353 HB2 LEU 51 HB2 LEU 51 -12.402 5.038 6.050 354 HB3 LEU 51 HB3 LEU 51 -13.268 6.544 6.264 355 HG LEU 51 HG LEU 51 -13.214 4.848 3.750 356 HD11 LEU 51 HD11 LEU 51 -14.635 3.946 5.520 357 HD12 LEU 51 HD12 LEU 51 -15.607 4.537 4.175 358 HD13 LEU 51 HD13 LEU 51 -15.486 5.490 5.657 359 HD21 LEU 51 HD21 LEU 51 -14.809 6.473 2.779 360 HD22 LEU 51 HD22 LEU 51 -13.231 7.194 3.078 361 HD23 LEU 51 HD23 LEU 51 -14.574 7.535 4.172 362 H PHE 52 H PHE 52 -9.629 5.652 6.613 363 HA PHE 52 HA PHE 52 -9.508 7.405 8.825 364 HB2 PHE 52 HB2 PHE 52 -8.530 5.155 8.931 365 HB3 PHE 52 HB3 PHE 52 -7.361 5.563 7.681 366 HD1 PHE 52 HD1 PHE 52 -8.432 6.569 11.139 367 HD2 PHE 52 HD2 PHE 52 -5.204 6.376 8.323 368 HE1 PHE 52 HE1 PHE 52 -6.865 7.340 12.873 369 HE2 PHE 52 HE2 PHE 52 -3.653 7.143 10.076 370 HZ PHE 52 HZ PHE 52 -4.476 7.624 12.344 371 H SER 53 H SER 53 -7.574 7.315 5.817 372 HA SER 53 HA SER 53 -5.779 9.406 6.403 373 HB2 SER 53 HB2 SER 53 -6.718 8.442 3.669 374 HB3 SER 53 HB3 SER 53 -5.282 9.424 3.973 375 HG SER 53 HG SER 53 -4.318 7.581 4.216 376 H ARG 54 H ARG 54 -8.856 9.522 4.527 377 HA ARG 54 HA ARG 54 -8.650 12.372 4.085 378 HB2 ARG 54 HB2 ARG 54 -11.067 12.117 3.172 379 HB3 ARG 54 HB3 ARG 54 -9.750 11.351 2.298 380 HG2 ARG 54 HG2 ARG 54 -10.377 9.182 2.992 381 HG3 ARG 54 HG3 ARG 54 -11.407 9.788 4.288 382 HD2 ARG 54 HD2 ARG 54 -12.036 10.343 1.372 383 HD3 ARG 54 HD3 ARG 54 -12.555 8.853 2.172 384 HE ARG 54 HE ARG 54 -13.392 10.813 3.859 385 HH11 ARG 54 HH11 ARG 54 -13.958 10.328 0.482 386 HH12 ARG 54 HH12 ARG 54 -15.561 10.950 0.575 387 HH21 ARG 54 HH21 ARG 54 -15.419 11.550 3.956 388 HH22 ARG 54 HH22 ARG 54 -16.382 11.642 2.521 389 H ASP 55 H ASP 55 -10.939 10.416 6.091 390 HA ASP 55 HA ASP 55 -12.297 12.793 7.025 391 HB2 ASP 55 HB2 ASP 55 -12.627 9.912 7.960 392 HB3 ASP 55 HB3 ASP 55 -13.724 11.245 8.315 393 H ARG 56 H ARG 56 -9.419 11.318 8.098 394 HA ARG 56 HA ARG 56 -9.607 12.809 10.651 395 HB2 ARG 56 HB2 ARG 56 -9.817 10.137 10.762 396 HB3 ARG 56 HB3 ARG 56 -8.070 10.201 10.607 397 HG2 ARG 56 HG2 ARG 56 -8.292 10.165 12.913 398 HG3 ARG 56 HG3 ARG 56 -8.231 11.904 12.629 399 HD2 ARG 56 HD2 ARG 56 -10.662 10.191 13.253 400 HD3 ARG 56 HD3 ARG 56 -10.004 11.525 14.197 401 HE ARG 56 HE ARG 56 -11.230 11.972 11.543 402 HH11 ARG 56 HH11 ARG 56 -11.193 12.719 14.916 403 HH12 ARG 56 HH12 ARG 56 -12.397 13.942 14.749 404 HH21 ARG 56 HH21 ARG 56 -12.754 13.514 11.369 405 HH22 ARG 56 HH22 ARG 56 -13.271 14.387 12.769 406 H GLY 57 H GLY 57 -8.243 13.169 7.873 407 HA2 GLY 57 HA2 GLY 57 -5.785 14.333 8.928 408 HA3 GLY 57 HA3 GLY 57 -5.533 12.987 7.827 409 H ASN 58 H ASN 58 -5.632 13.344 5.649 410 HA ASN 58 HA ASN 58 -6.390 16.030 4.641 411 HB2 ASN 58 HB2 ASN 58 -4.363 16.071 3.233 412 HB3 ASN 58 HB3 ASN 58 -3.929 15.944 4.933 413 HD21 ASN 58 HD21 ASN 58 -2.442 15.197 2.494 414 HD22 ASN 58 HD22 ASN 58 -2.006 13.543 2.706 415 H ASP 59 H ASP 59 -6.655 16.095 2.237 416 HA ASP 59 HA ASP 59 -8.499 14.139 1.354 417 HB2 ASP 59 HB2 ASP 59 -8.471 15.396 -0.814 418 HB3 ASP 59 HB3 ASP 59 -8.696 16.436 0.587 419 H LEU 60 H LEU 60 -8.321 12.387 0.031 420 HA LEU 60 HA LEU 60 -5.772 11.685 -1.271 421 HB2 LEU 60 HB2 LEU 60 -5.681 10.731 1.036 422 HB3 LEU 60 HB3 LEU 60 -7.175 9.860 0.731 423 HG LEU 60 HG LEU 60 -6.013 8.550 -1.072 424 HD11 LEU 60 HD11 LEU 60 -3.561 8.610 -1.255 425 HD12 LEU 60 HD12 LEU 60 -3.503 9.972 -0.134 426 HD13 LEU 60 HD13 LEU 60 -4.288 10.152 -1.705 427 HD21 LEU 60 HD21 LEU 60 -4.676 8.367 1.652 428 HD22 LEU 60 HD22 LEU 60 -4.690 7.105 0.415 429 HD23 LEU 60 HD23 LEU 60 -6.197 7.599 1.183 430 H MET 61 H MET 61 -9.148 10.728 -0.636 431 HA MET 61 HA MET 61 -9.359 9.346 -3.229 432 HB2 MET 61 HB2 MET 61 -10.248 8.310 -1.087 433 HB3 MET 61 HB3 MET 61 -11.438 9.602 -1.010 434 HG2 MET 61 HG2 MET 61 -12.292 8.813 -3.260 435 HG3 MET 61 HG3 MET 61 -11.221 7.417 -3.095 436 HE1 MET 61 HE1 MET 61 -12.744 5.780 0.215 437 HE2 MET 61 HE2 MET 61 -11.490 7.019 0.194 438 HE3 MET 61 HE3 MET 61 -11.434 5.687 -0.961 439 H THR 62 H THR 62 -9.145 11.315 -4.491 440 HA THR 62 HA THR 62 -11.623 12.919 -4.722 441 HB THR 62 HB THR 62 -10.206 14.979 -5.206 442 HG1 THR 62 HG1 THR 62 -8.010 14.844 -4.286 443 HG21 THR 62 HG21 THR 62 -9.704 15.539 -2.854 444 HG22 THR 62 HG22 THR 62 -9.866 13.842 -2.403 445 HG23 THR 62 HG23 THR 62 -11.271 14.736 -2.987 446 HA PRO 63 HA PRO 63 -11.343 12.010 -9.188 447 HB2 PRO 63 HB2 PRO 63 -12.594 14.753 -9.422 448 HB3 PRO 63 HB3 PRO 63 -13.082 13.224 -10.173 449 HG2 PRO 63 HG2 PRO 63 -14.448 14.163 -8.090 450 HG3 PRO 63 HG3 PRO 63 -14.090 12.426 -8.201 451 HD2 PRO 63 HD2 PRO 63 -12.758 14.531 -6.497 452 HD3 PRO 63 HD3 PRO 63 -13.190 12.856 -6.086 453 H ARG 64 H ARG 64 -10.584 15.363 -8.175 454 HA ARG 64 HA ARG 64 -9.015 16.894 -8.705 455 HB2 ARG 64 HB2 ARG 64 -7.351 14.595 -9.802 456 HB3 ARG 64 HB3 ARG 64 -6.755 16.193 -9.352 457 HG2 ARG 64 HG2 ARG 64 -7.217 15.749 -6.998 458 HG3 ARG 64 HG3 ARG 64 -7.994 14.215 -7.403 459 HD2 ARG 64 HD2 ARG 64 -5.778 13.441 -8.357 460 HD3 ARG 64 HD3 ARG 64 -5.055 14.914 -7.708 461 HE ARG 64 HE ARG 64 -5.296 14.085 -5.543 462 HH11 ARG 64 HH11 ARG 64 -6.690 11.822 -7.784 463 HH12 ARG 64 HH12 ARG 64 -6.722 10.546 -6.620 464 HH21 ARG 64 HH21 ARG 64 -5.350 12.442 -4.104 465 HH22 ARG 64 HH22 ARG 64 -5.981 10.900 -4.559 466 HA PRO 65 HA PRO 65 -10.454 17.113 -13.168 467 HB2 PRO 65 HB2 PRO 65 -11.622 19.569 -13.062 468 HB3 PRO 65 HB3 PRO 65 -12.439 18.119 -12.457 469 HG2 PRO 65 HG2 PRO 65 -10.907 20.211 -10.900 470 HG3 PRO 65 HG3 PRO 65 -12.497 19.503 -10.543 471 HD2 PRO 65 HD2 PRO 65 -10.202 18.639 -9.328 472 HD3 PRO 65 HD3 PRO 65 -11.569 17.549 -9.648 473 H GLU 66 H GLU 66 -8.331 19.020 -11.235 474 HA GLU 66 HA GLU 66 -7.312 20.815 -13.225 475 HB2 GLU 66 HB2 GLU 66 -6.041 19.904 -10.607 476 HB3 GLU 66 HB3 GLU 66 -5.542 21.298 -11.563 477 HG2 GLU 66 HG2 GLU 66 -8.202 20.962 -10.132 478 HG3 GLU 66 HG3 GLU 66 -6.861 21.979 -9.607 479 H PHE 67 H PHE 67 -6.611 17.513 -12.311 480 HA PHE 67 HA PHE 67 -4.611 17.242 -14.447 481 HB2 PHE 67 HB2 PHE 67 -4.183 16.256 -11.581 482 HB3 PHE 67 HB3 PHE 67 -3.185 15.778 -12.951 483 HD1 PHE 67 HD1 PHE 67 -1.881 17.598 -14.207 484 HD2 PHE 67 HD2 PHE 67 -3.694 18.285 -10.386 485 HE1 PHE 67 HE1 PHE 67 -0.454 19.576 -13.878 486 HE2 PHE 67 HE2 PHE 67 -2.258 20.260 -10.071 487 HZ PHE 67 HZ PHE 67 -0.643 20.908 -11.814 488 H ASN 68 H ASN 68 -5.736 15.943 -15.744 489 HA ASN 68 HA ASN 68 -7.513 13.832 -14.876 490 HB2 ASN 68 HB2 ASN 68 -7.793 13.462 -17.378 491 HB3 ASN 68 HB3 ASN 68 -8.177 15.082 -16.819 492 HD21 ASN 68 HD21 ASN 68 -5.844 13.155 -18.596 493 HD22 ASN 68 HD22 ASN 68 -5.078 14.483 -19.389 494 H PHE 69 H PHE 69 -5.027 13.191 -13.846 495 HA PHE 69 HA PHE 69 -4.245 10.769 -15.339 496 HB2 PHE 69 HB2 PHE 69 -2.196 12.620 -14.032 497 HB3 PHE 69 HB3 PHE 69 -1.855 11.141 -14.917 498 HD1 PHE 69 HD1 PHE 69 -2.211 11.072 -17.420 499 HD2 PHE 69 HD2 PHE 69 -2.538 14.716 -15.193 500 HE1 PHE 69 HE1 PHE 69 -2.011 12.371 -19.499 501 HE2 PHE 69 HE2 PHE 69 -2.335 16.006 -17.280 502 HZ PHE 69 HZ PHE 69 -2.070 14.834 -19.433 503 HA PRO 70 HA PRO 70 -3.610 9.645 -10.746 504 HB2 PRO 70 HB2 PRO 70 -3.334 11.413 -8.722 505 HB3 PRO 70 HB3 PRO 70 -2.018 11.106 -9.864 506 HG2 PRO 70 HG2 PRO 70 -3.848 13.467 -9.682 507 HG3 PRO 70 HG3 PRO 70 -2.162 13.391 -10.225 508 HD2 PRO 70 HD2 PRO 70 -4.506 13.415 -11.881 509 HD3 PRO 70 HD3 PRO 70 -2.831 13.171 -12.406 510 H GLY 71 H GLY 71 -5.514 8.627 -10.327 511 HA2 GLY 71 HA2 GLY 71 -7.739 10.127 -9.021 512 HA3 GLY 71 HA3 GLY 71 -8.025 8.895 -10.245 513 H LEU 72 H LEU 72 -7.565 6.703 -9.768 514 HA LEU 72 HA LEU 72 -7.710 4.788 -8.615 515 HB2 LEU 72 HB2 LEU 72 -6.101 6.284 -6.527 516 HB3 LEU 72 HB3 LEU 72 -6.543 4.608 -6.336 517 HG LEU 72 HG LEU 72 -4.258 4.704 -7.079 518 HD11 LEU 72 HD11 LEU 72 -5.577 2.859 -7.968 519 HD12 LEU 72 HD12 LEU 72 -4.305 3.334 -9.089 520 HD13 LEU 72 HD13 LEU 72 -5.977 3.808 -9.403 521 HD21 LEU 72 HD21 LEU 72 -3.524 5.731 -9.189 522 HD22 LEU 72 HD22 LEU 72 -4.200 6.927 -8.086 523 HD23 LEU 72 HD23 LEU 72 -5.154 6.361 -9.459 524 H LYS 73 H LYS 73 -8.976 3.627 -7.156 525 HA LYS 73 HA LYS 73 -10.809 5.147 -5.384 526 HB2 LYS 73 HB2 LYS 73 -11.521 2.790 -7.194 527 HB3 LYS 73 HB3 LYS 73 -12.613 3.509 -6.015 528 HG2 LYS 73 HG2 LYS 73 -11.444 4.981 -8.409 529 HG3 LYS 73 HG3 LYS 73 -13.043 4.229 -8.379 530 HD2 LYS 73 HD2 LYS 73 -12.159 6.449 -6.478 531 HD3 LYS 73 HD3 LYS 73 -13.051 6.730 -7.975 532 HE2 LYS 73 HE2 LYS 73 -14.962 5.472 -7.129 533 HE3 LYS 73 HE3 LYS 73 -14.064 5.002 -5.686 534 HZ1 LYS 73 HZ1 LYS 73 -14.021 7.278 -4.979 535 HZ2 LYS 73 HZ2 LYS 73 -15.617 6.825 -5.296 536 HZ3 LYS 73 HZ3 LYS 73 -14.775 7.787 -6.402 537 H ALA 74 H ALA 74 -12.036 3.325 -3.956 538 HA ALA 74 HA ALA 74 -9.902 2.319 -2.262 539 HB1 ALA 74 HB1 ALA 74 -11.781 3.624 -1.347 540 HB2 ALA 74 HB2 ALA 74 -11.642 2.037 -0.597 541 HB3 ALA 74 HB3 ALA 74 -12.896 2.334 -1.802 542 H GLY 75 H GLY 75 -9.059 0.400 -2.779 543 HA2 GLY 75 HA2 GLY 75 -9.009 -1.955 -2.700 544 HA3 GLY 75 HA3 GLY 75 -10.737 -2.016 -2.999 545 H ASP 76 H ASP 76 -8.260 -0.226 -4.772 546 HA ASP 76 HA ASP 76 -8.822 -1.755 -7.248 547 HB2 ASP 76 HB2 ASP 76 -8.549 1.242 -6.789 548 HB3 ASP 76 HB3 ASP 76 -8.361 0.542 -8.395 549 H ARG 77 H ARG 77 -7.049 -2.966 -7.608 550 HA ARG 77 HA ARG 77 -4.371 -2.078 -6.902 551 HB2 ARG 77 HB2 ARG 77 -3.702 -4.381 -7.786 552 HB3 ARG 77 HB3 ARG 77 -4.776 -4.348 -6.394 553 HG2 ARG 77 HG2 ARG 77 -6.713 -4.745 -7.990 554 HG3 ARG 77 HG3 ARG 77 -5.519 -5.017 -9.264 555 HD2 ARG 77 HD2 ARG 77 -4.626 -6.942 -8.102 556 HD3 ARG 77 HD3 ARG 77 -5.576 -6.587 -6.657 557 HE ARG 77 HE ARG 77 -6.603 -7.669 -9.207 558 HH11 ARG 77 HH11 ARG 77 -7.230 -6.884 -5.884 559 HH12 ARG 77 HH12 ARG 77 -8.660 -7.854 -5.828 560 HH21 ARG 77 HH21 ARG 77 -8.448 -8.876 -9.087 561 HH22 ARG 77 HH22 ARG 77 -9.334 -8.956 -7.605 562 H TRP 78 H TRP 78 -4.024 -0.356 -8.231 563 HA TRP 78 HA TRP 78 -3.077 -0.951 -10.969 564 HB2 TRP 78 HB2 TRP 78 -4.799 1.441 -10.171 565 HB3 TRP 78 HB3 TRP 78 -3.867 1.392 -11.660 566 HD1 TRP 78 HD1 TRP 78 -4.597 -1.488 -12.731 567 HE1 TRP 78 HE1 TRP 78 -6.979 -1.991 -13.540 568 HE3 TRP 78 HE3 TRP 78 -7.105 2.267 -10.311 569 HZ2 TRP 78 HZ2 TRP 78 -9.570 -0.947 -13.227 570 HZ3 TRP 78 HZ3 TRP 78 -9.541 2.454 -10.637 571 HH2 TRP 78 HH2 TRP 78 -10.748 0.877 -12.069 572 H CYS 79 H CYS 79 -1.988 1.546 -11.562 573 HA CYS 79 HA CYS 79 0.329 1.924 -10.059 574 HB2 CYS 79 HB2 CYS 79 0.491 4.141 -11.214 575 HB3 CYS 79 HB3 CYS 79 0.098 2.829 -12.321 576 HG CYS 79 HG CYS 79 -2.313 4.891 -11.037 577 H LEU 80 H LEU 80 -0.323 1.816 -7.900 578 HA LEU 80 HA LEU 80 -2.037 3.813 -6.653 579 HB2 LEU 80 HB2 LEU 80 -2.252 1.455 -6.041 580 HB3 LEU 80 HB3 LEU 80 -0.548 1.340 -5.669 581 HG LEU 80 HG LEU 80 -2.249 1.313 -3.724 582 HD11 LEU 80 HD11 LEU 80 0.078 3.234 -3.503 583 HD12 LEU 80 HD12 LEU 80 0.162 1.476 -3.349 584 HD13 LEU 80 HD13 LEU 80 -0.748 2.421 -2.170 585 HD21 LEU 80 HD21 LEU 80 -3.632 3.209 -4.439 586 HD22 LEU 80 HD22 LEU 80 -2.276 4.311 -4.182 587 HD23 LEU 80 HD23 LEU 80 -2.988 3.452 -2.815 588 H CYS 81 H CYS 81 1.324 3.256 -7.211 589 HA CYS 81 HA CYS 81 3.273 4.223 -6.671 590 HB2 CYS 81 HB2 CYS 81 2.245 6.400 -7.153 591 HB3 CYS 81 HB3 CYS 81 1.616 6.494 -5.510 592 HG CYS 81 HG CYS 81 3.836 8.233 -5.876 593 H ALA 82 H ALA 82 4.635 3.544 -5.153 594 HA ALA 82 HA ALA 82 3.860 2.273 -2.799 595 HB1 ALA 82 HB1 ALA 82 5.948 1.781 -3.995 596 HB2 ALA 82 HB2 ALA 82 6.255 2.095 -2.284 597 HB3 ALA 82 HB3 ALA 82 6.615 3.334 -3.492 598 H SER 83 H SER 83 4.637 5.647 -3.299 599 HA SER 83 HA SER 83 5.118 6.621 -0.745 600 HB2 SER 83 HB2 SER 83 5.267 8.047 -2.719 601 HB3 SER 83 HB3 SER 83 3.532 7.905 -3.005 602 HG SER 83 HG SER 83 4.698 9.052 -0.670 603 H ARG 84 H ARG 84 1.906 6.024 -2.265 604 HA ARG 84 HA ARG 84 0.335 7.008 -0.089 605 HB2 ARG 84 HB2 ARG 84 -0.212 5.583 -2.659 606 HB3 ARG 84 HB3 ARG 84 -1.419 5.334 -1.414 607 HG2 ARG 84 HG2 ARG 84 -2.146 7.133 -2.810 608 HG3 ARG 84 HG3 ARG 84 -1.726 7.797 -1.236 609 HD2 ARG 84 HD2 ARG 84 0.055 7.927 -3.697 610 HD3 ARG 84 HD3 ARG 84 -1.008 9.226 -3.168 611 HE ARG 84 HE ARG 84 1.595 8.661 -2.212 612 HH11 ARG 84 HH11 ARG 84 -1.445 9.869 -1.030 613 HH12 ARG 84 HH12 ARG 84 -0.705 10.645 0.321 614 HH21 ARG 84 HH21 ARG 84 2.470 9.697 -0.475 615 HH22 ARG 84 HH22 ARG 84 1.448 10.569 0.615 616 H TRP 85 H TRP 85 1.446 3.782 -0.936 617 HA TRP 85 HA TRP 85 -0.092 2.338 1.013 618 HB2 TRP 85 HB2 TRP 85 0.428 1.048 -0.848 619 HB3 TRP 85 HB3 TRP 85 2.034 1.738 -1.025 620 HD1 TRP 85 HD1 TRP 85 3.720 -0.070 -0.812 621 HE1 TRP 85 HE1 TRP 85 4.122 -2.095 0.709 622 HE3 TRP 85 HE3 TRP 85 -0.585 0.087 1.932 623 HZ2 TRP 85 HZ2 TRP 85 2.794 -3.481 2.761 624 HZ3 TRP 85 HZ3 TRP 85 -0.949 -1.636 3.642 625 HH2 TRP 85 HH2 TRP 85 0.700 -3.379 4.047 626 H GLN 86 H GLN 86 3.283 3.419 0.823 627 HA GLN 86 HA GLN 86 4.171 2.540 3.362 628 HB2 GLN 86 HB2 GLN 86 5.754 3.114 1.597 629 HB3 GLN 86 HB3 GLN 86 5.171 4.768 1.544 630 HG2 GLN 86 HG2 GLN 86 7.333 4.617 2.698 631 HG3 GLN 86 HG3 GLN 86 6.069 5.224 3.760 632 HE21 GLN 86 HE21 GLN 86 6.873 4.636 5.672 633 HE22 GLN 86 HE22 GLN 86 7.217 3.015 6.167 634 H GLU 87 H GLU 87 2.646 5.550 2.287 635 HA GLU 87 HA GLU 87 2.910 7.111 4.626 636 HB2 GLU 87 HB2 GLU 87 2.226 8.096 2.479 637 HB3 GLU 87 HB3 GLU 87 0.776 7.104 2.440 638 HG2 GLU 87 HG2 GLU 87 -0.040 8.348 4.482 639 HG3 GLU 87 HG3 GLU 87 1.354 9.416 4.314 640 H ALA 88 H ALA 88 0.326 4.872 3.572 641 HA ALA 88 HA ALA 88 -1.438 5.190 5.768 642 HB1 ALA 88 HB1 ALA 88 -1.125 2.780 3.945 643 HB2 ALA 88 HB2 ALA 88 -2.121 4.196 3.611 644 HB3 ALA 88 HB3 ALA 88 -2.520 3.142 4.969 645 H PHE 89 H PHE 89 1.411 3.147 5.291 646 HA PHE 89 HA PHE 89 1.147 1.546 7.632 647 HB2 PHE 89 HB2 PHE 89 2.643 0.891 5.773 648 HB3 PHE 89 HB3 PHE 89 3.665 2.295 6.077 649 HD1 PHE 89 HD2 PHE 89 2.499 -0.933 7.538 650 HD2 PHE 89 HD1 PHE 89 5.370 2.226 7.794 651 HE1 PHE 89 HE2 PHE 89 3.758 -2.204 9.211 652 HE2 PHE 89 HE1 PHE 89 6.611 0.941 9.477 653 HZ PHE 89 HZ PHE 89 5.802 -1.263 10.187 654 H GLU 90 H GLU 90 2.940 4.577 6.988 655 HA GLU 90 HA GLU 90 3.917 4.923 9.666 656 HB2 GLU 90 HB2 GLU 90 3.689 6.905 7.370 657 HB3 GLU 90 HB3 GLU 90 4.558 7.211 8.877 658 HG2 GLU 90 HG2 GLU 90 6.068 5.317 8.390 659 HG3 GLU 90 HG3 GLU 90 5.205 5.019 6.879 660 H ALA 91 H ALA 91 0.894 5.649 8.167 661 HA ALA 91 HA ALA 91 -0.146 7.415 10.188 662 HB1 ALA 91 HB1 ALA 91 -1.109 7.291 7.916 663 HB2 ALA 91 HB2 ALA 91 -2.328 6.939 9.142 664 HB3 ALA 91 HB3 ALA 91 -1.607 5.623 8.210 665 H GLY 92 H GLY 92 0.811 4.230 10.380 666 HA2 GLY 92 HA2 GLY 92 0.808 2.847 12.232 667 HA3 GLY 92 HA3 GLY 92 -0.469 3.814 12.954 668 H MET 93 H MET 93 -0.977 2.683 9.699 669 HA MET 93 HA MET 93 -3.035 0.788 10.706 670 HB2 MET 93 HB2 MET 93 -3.278 2.671 8.317 671 HB3 MET 93 HB3 MET 93 -4.511 1.555 8.886 672 HG2 MET 93 HG2 MET 93 -3.468 3.986 10.347 673 HG3 MET 93 HG3 MET 93 -5.061 3.796 9.616 674 HE1 MET 93 HE1 MET 93 -5.879 0.814 10.503 675 HE2 MET 93 HE2 MET 93 -6.974 2.193 10.619 676 HE3 MET 93 HE3 MET 93 -6.724 1.144 12.015 677 H ALA 94 H ALA 94 -1.963 1.546 7.376 678 HA ALA 94 HA ALA 94 -1.233 0.354 5.631 679 HB1 ALA 94 HB1 ALA 94 -0.048 -1.551 7.650 680 HB2 ALA 94 HB2 ALA 94 0.716 -0.094 7.019 681 HB3 ALA 94 HB3 ALA 94 0.378 -1.445 5.939 682 HA PRO 95 HA PRO 95 -4.846 -2.503 5.215 683 HB2 PRO 95 HB2 PRO 95 -5.111 -2.150 2.497 684 HB3 PRO 95 HB3 PRO 95 -5.713 -0.983 3.684 685 HG2 PRO 95 HG2 PRO 95 -3.091 -0.956 2.179 686 HG3 PRO 95 HG3 PRO 95 -4.283 0.351 2.359 687 HD2 PRO 95 HD2 PRO 95 -2.101 0.291 3.900 688 HD3 PRO 95 HD3 PRO 95 -3.670 0.781 4.584 689 HA PRO 96 HA PRO 96 -3.007 -6.307 3.409 690 HB2 PRO 96 HB2 PRO 96 -5.643 -6.856 2.092 691 HB3 PRO 96 HB3 PRO 96 -4.749 -7.833 3.262 692 HG2 PRO 96 HG2 PRO 96 -6.981 -6.529 3.986 693 HG3 PRO 96 HG3 PRO 96 -5.602 -6.656 5.102 694 HD2 PRO 96 HD2 PRO 96 -6.410 -4.325 3.344 695 HD3 PRO 96 HD3 PRO 96 -5.900 -4.324 5.051 696 H VAL 97 H VAL 97 -1.567 -5.853 1.773 697 HA VAL 97 HA VAL 97 -2.459 -4.687 -0.773 698 HB VAL 97 HB VAL 97 -0.550 -3.611 0.365 699 HG11 VAL 97 HG11 VAL 97 0.977 -6.217 0.018 700 HG12 VAL 97 HG12 VAL 97 0.389 -5.556 1.546 701 HG13 VAL 97 HG13 VAL 97 1.634 -4.695 0.637 702 HG21 VAL 97 HG21 VAL 97 0.312 -4.954 -2.231 703 HG22 VAL 97 HG22 VAL 97 1.055 -3.515 -1.527 704 HG23 VAL 97 HG23 VAL 97 -0.618 -3.458 -2.090 705 H VAL 98 H VAL 98 -1.924 -5.654 -2.790 706 HA VAL 98 HA VAL 98 -1.747 -8.575 -2.811 707 HB VAL 98 HB VAL 98 -3.529 -7.676 -4.144 708 HG11 VAL 98 HG11 VAL 98 -1.495 -6.014 -5.671 709 HG12 VAL 98 HG12 VAL 98 -2.704 -5.405 -4.540 710 HG13 VAL 98 HG13 VAL 98 -3.214 -6.143 -6.059 711 HG21 VAL 98 HG21 VAL 98 -2.426 -9.685 -5.061 712 HG22 VAL 98 HG22 VAL 98 -1.341 -8.670 -6.017 713 HG23 VAL 98 HG23 VAL 98 -3.072 -8.678 -6.360 714 H LEU 99 H LEU 99 0.209 -9.411 -2.748 715 HA LEU 99 HA LEU 99 2.636 -7.990 -3.223 716 HB2 LEU 99 HB2 LEU 99 2.027 -10.883 -2.550 717 HB3 LEU 99 HB3 LEU 99 3.672 -10.328 -2.791 718 HG LEU 99 HG LEU 99 3.538 -8.873 -0.832 719 HD11 LEU 99 HD11 LEU 99 1.239 -8.127 -0.925 720 HD12 LEU 99 HD12 LEU 99 1.600 -8.810 0.658 721 HD13 LEU 99 HD13 LEU 99 0.668 -9.747 -0.514 722 HD21 LEU 99 HD21 LEU 99 2.521 -11.660 -0.217 723 HD22 LEU 99 HD22 LEU 99 3.312 -10.570 0.923 724 HD23 LEU 99 HD23 LEU 99 4.206 -11.188 -0.461 725 H GLN 100 H GLN 100 0.929 -10.531 -4.997 726 HA GLN 100 HA GLN 100 3.001 -11.153 -6.860 727 HB2 GLN 100 HB2 GLN 100 0.005 -11.652 -7.063 728 HB3 GLN 100 HB3 GLN 100 1.241 -12.420 -8.063 729 HG2 GLN 100 HG2 GLN 100 2.200 -13.493 -6.062 730 HG3 GLN 100 HG3 GLN 100 0.982 -12.718 -5.048 731 HE21 GLN 100 HE21 GLN 100 -1.182 -13.454 -5.184 732 HE22 GLN 100 HE22 GLN 100 -1.569 -14.992 -5.867 733 H SER 101 H SER 101 0.448 -8.755 -6.844 734 HA SER 101 HA SER 101 0.883 -7.892 -9.596 735 HB2 SER 101 HB2 SER 101 -1.370 -7.716 -8.537 736 HB3 SER 101 HB3 SER 101 -0.727 -6.562 -7.373 737 HG SER 101 HG SER 101 -0.084 -5.649 -9.762 738 H THR 102 H THR 102 1.983 -7.019 -6.362 739 HA THR 102 HA THR 102 3.237 -4.523 -7.074 740 HB THR 102 HB THR 102 3.682 -6.288 -4.618 741 HG1 THR 102 HG1 THR 102 1.544 -5.030 -5.223 742 HG21 THR 102 HG21 THR 102 5.576 -4.723 -4.932 743 HG22 THR 102 HG22 THR 102 4.594 -4.253 -3.544 744 HG23 THR 102 HG23 THR 102 4.443 -3.371 -5.066 745 H GLU 103 H GLU 103 4.726 -4.684 -8.662 746 HA GLU 103 HA GLU 103 6.606 -6.786 -9.042 747 HB2 GLU 103 HB2 GLU 103 5.788 -5.269 -10.859 748 HB3 GLU 103 HB3 GLU 103 6.669 -3.936 -10.131 749 HG2 GLU 103 HG2 GLU 103 7.899 -4.776 -12.050 750 HG3 GLU 103 HG3 GLU 103 8.809 -5.114 -10.578 751 H LYS 104 H LYS 104 8.980 -6.583 -8.939 752 HA LYS 104 HA LYS 104 9.834 -5.969 -6.320 753 HB2 LYS 104 HB2 LYS 104 11.371 -6.847 -8.774 754 HB3 LYS 104 HB3 LYS 104 12.175 -6.530 -7.250 755 HG2 LYS 104 HG2 LYS 104 11.915 -8.853 -7.246 756 HG3 LYS 104 HG3 LYS 104 10.600 -8.297 -6.217 757 HD2 LYS 104 HD2 LYS 104 10.007 -8.724 -9.137 758 HD3 LYS 104 HD3 LYS 104 10.257 -10.159 -8.149 759 HE2 LYS 104 HE2 LYS 104 8.364 -9.599 -6.739 760 HE3 LYS 104 HE3 LYS 104 8.213 -8.007 -7.482 761 HZ1 LYS 104 HZ1 LYS 104 7.632 -9.056 -9.569 762 HZ2 LYS 104 HZ2 LYS 104 6.577 -9.559 -8.339 763 HZ3 LYS 104 HZ3 LYS 104 7.801 -10.589 -8.875 764 H SER 105 H SER 105 9.729 -3.918 -9.092 765 HA SER 105 HA SER 105 11.669 -1.973 -8.546 766 HB2 SER 105 HB2 SER 105 10.231 -1.957 -10.559 767 HB3 SER 105 HB3 SER 105 8.826 -1.576 -9.572 768 HG SER 105 HG SER 105 10.622 0.081 -10.647 769 H ALA 106 H ALA 106 8.467 -2.444 -7.066 770 HA ALA 106 HA ALA 106 8.408 -0.043 -5.493 771 HB1 ALA 106 HB1 ALA 106 6.782 -2.588 -5.189 772 HB2 ALA 106 HB2 ALA 106 6.348 -1.197 -6.184 773 HB3 ALA 106 HB3 ALA 106 6.422 -1.033 -4.429 774 H LEU 107 H LEU 107 9.827 -3.173 -4.986 775 HA LEU 107 HA LEU 107 9.932 -3.299 -2.153 776 HB2 LEU 107 HB2 LEU 107 11.513 -4.611 -4.369 777 HB3 LEU 107 HB3 LEU 107 12.033 -4.819 -2.708 778 HG LEU 107 HG LEU 107 9.989 -5.962 -2.109 779 HD11 LEU 107 HD11 LEU 107 8.950 -5.437 -4.905 780 HD12 LEU 107 HD12 LEU 107 8.338 -4.742 -3.404 781 HD13 LEU 107 HD13 LEU 107 8.185 -6.470 -3.694 782 HD21 LEU 107 HD21 LEU 107 11.087 -7.062 -4.717 783 HD22 LEU 107 HD22 LEU 107 10.169 -7.974 -3.516 784 HD23 LEU 107 HD23 LEU 107 11.754 -7.328 -3.104 785 H ARG 108 H ARG 108 11.805 -1.456 -4.418 786 HA ARG 108 HA ARG 108 13.997 -0.821 -2.638 787 HB2 ARG 108 HB2 ARG 108 13.158 0.695 -5.147 788 HB3 ARG 108 HB3 ARG 108 14.753 0.665 -4.396 789 HG2 ARG 108 HG2 ARG 108 14.818 -1.841 -4.957 790 HG3 ARG 108 HG3 ARG 108 13.370 -1.565 -5.931 791 HD2 ARG 108 HD2 ARG 108 15.230 -1.482 -7.435 792 HD3 ARG 108 HD3 ARG 108 14.710 0.192 -7.207 793 HE ARG 108 HE ARG 108 16.821 -0.692 -5.430 794 HH11 ARG 108 HH11 ARG 108 16.160 0.894 -8.437 795 HH12 ARG 108 HH12 ARG 108 17.730 1.610 -8.514 796 HH21 ARG 108 HH21 ARG 108 18.806 0.189 -5.574 797 HH22 ARG 108 HH22 ARG 108 19.218 1.204 -6.908 798 H TYR 109 H TYR 109 10.775 0.214 -2.899 799 HA TYR 109 HA TYR 109 11.199 2.877 -1.667 800 HB2 TYR 109 HB2 TYR 109 8.885 1.763 -3.302 801 HB3 TYR 109 HB3 TYR 109 8.846 3.325 -2.503 802 HD1 TYR 109 HD1 TYR 109 10.706 1.398 -5.130 803 HD2 TYR 109 HD2 TYR 109 9.707 5.255 -3.570 804 HE1 TYR 109 HE1 TYR 109 11.726 2.464 -7.094 805 HE2 TYR 109 HE2 TYR 109 10.729 6.312 -5.533 806 HH TYR 109 HH TYR 109 12.420 5.780 -7.225 807 H VAL 110 H VAL 110 9.908 -0.289 -0.954 808 HA VAL 110 HA VAL 110 8.713 0.739 1.540 809 HB VAL 110 HB VAL 110 6.902 0.659 -0.215 810 HG11 VAL 110 HG11 VAL 110 5.941 -1.513 -0.909 811 HG12 VAL 110 HG12 VAL 110 7.265 -2.358 -0.103 812 HG13 VAL 110 HG13 VAL 110 7.599 -1.321 -1.492 813 HG21 VAL 110 HG21 VAL 110 6.348 0.579 2.183 814 HG22 VAL 110 HG22 VAL 110 6.484 -1.184 2.165 815 HG23 VAL 110 HG23 VAL 110 5.216 -0.391 1.238 816 H SER 111 H SER 111 10.158 -1.872 -0.199 817 HA SER 111 HA SER 111 11.282 -3.735 0.410 818 HB2 SER 111 HB2 SER 111 12.008 -2.885 2.539 819 HB3 SER 111 HB3 SER 111 10.415 -3.100 3.253 820 HG SER 111 HG SER 111 12.030 -4.734 3.772 821 H LEU 112 H LEU 112 10.827 -5.835 0.198 822 HA LEU 112 HA LEU 112 8.231 -6.860 -0.098 823 HB2 LEU 112 HB2 LEU 112 9.997 -7.867 -1.299 824 HB3 LEU 112 HB3 LEU 112 10.962 -8.105 0.126 825 HG LEU 112 HG LEU 112 8.397 -9.674 -0.050 826 HD11 LEU 112 HD11 LEU 112 10.834 -10.459 -1.674 827 HD12 LEU 112 HD12 LEU 112 9.278 -9.933 -2.320 828 HD13 LEU 112 HD13 LEU 112 9.386 -11.441 -1.413 829 HD21 LEU 112 HD21 LEU 112 9.776 -11.448 1.020 830 HD22 LEU 112 HD22 LEU 112 9.763 -9.952 1.950 831 HD23 LEU 112 HD23 LEU 112 11.180 -10.371 0.974 832 H ALA 113 H ALA 113 10.420 -6.921 2.694 833 HA ALA 113 HA ALA 113 9.216 -8.965 4.217 834 HB1 ALA 113 HB1 ALA 113 11.440 -8.040 4.708 835 HB2 ALA 113 HB2 ALA 113 10.410 -8.001 6.139 836 HB3 ALA 113 HB3 ALA 113 10.707 -6.520 5.224 837 H ASP 114 H ASP 114 8.391 -5.537 3.948 838 HA ASP 114 HA ASP 114 6.424 -5.447 6.014 839 HB2 ASP 114 HB2 ASP 114 7.672 -3.502 4.568 840 HB3 ASP 114 HB3 ASP 114 6.192 -3.599 3.629 841 H LEU 115 H LEU 115 6.391 -6.358 2.600 842 HA LEU 115 HA LEU 115 3.560 -6.104 2.121 843 HB2 LEU 115 HB2 LEU 115 5.607 -7.722 0.545 844 HB3 LEU 115 HB3 LEU 115 4.021 -7.208 -0.025 845 HG LEU 115 HG LEU 115 6.396 -5.403 0.570 846 HD11 LEU 115 HD11 LEU 115 5.118 -6.117 -2.080 847 HD12 LEU 115 HD12 LEU 115 6.690 -6.667 -1.487 848 HD13 LEU 115 HD13 LEU 115 6.429 -4.958 -1.828 849 HD21 LEU 115 HD21 LEU 115 3.652 -4.635 -0.455 850 HD22 LEU 115 HD22 LEU 115 5.053 -3.567 -0.313 851 HD23 LEU 115 HD23 LEU 115 4.328 -4.257 1.133 852 H GLN 116 H GLN 116 5.789 -8.743 2.744 853 HA GLN 116 HA GLN 116 4.064 -10.970 2.514 854 HB2 GLN 116 HB2 GLN 116 6.624 -10.620 4.136 855 HB3 GLN 116 HB3 GLN 116 5.904 -12.168 3.698 856 HG2 GLN 116 HG2 GLN 116 6.714 -10.162 1.602 857 HG3 GLN 116 HG3 GLN 116 7.881 -11.264 2.294 858 HE21 GLN 116 HE21 GLN 116 6.969 -11.049 -0.463 859 HE22 GLN 116 HE22 GLN 116 6.314 -12.585 -0.888 860 H ALA 117 H ALA 117 5.145 -9.060 5.289 861 HA ALA 117 HA ALA 117 3.778 -10.409 7.345 862 HB1 ALA 117 HB1 ALA 117 5.584 -8.821 7.758 863 HB2 ALA 117 HB2 ALA 117 4.145 -8.369 8.675 864 HB3 ALA 117 HB3 ALA 117 4.572 -7.488 7.201 865 H HIS 118 H HIS 118 2.538 -8.004 5.045 866 HA HIS 118 HA HIS 118 0.007 -7.724 6.530 867 HB2 HIS 118 HB2 HIS 118 1.052 -6.303 4.055 868 HB3 HIS 118 HB3 HIS 118 -0.579 -6.060 4.687 869 HD1 HIS 118 HD1 HIS 118 -0.561 -5.319 7.364 870 HD2 HIS 118 HD2 HIS 118 2.853 -4.559 5.140 871 HE1 HIS 118 HE1 HIS 118 0.737 -3.635 8.686 872 HE2 HIS 118 HE2 HIS 118 2.702 -3.057 7.225 873 H ALA 119 H ALA 119 1.208 -9.564 3.783 874 HA ALA 119 HA ALA 119 -1.454 -10.442 2.987 875 HB1 ALA 119 HB1 ALA 119 1.257 -11.653 2.352 876 HB2 ALA 119 HB2 ALA 119 0.369 -10.499 1.362 877 HB3 ALA 119 HB3 ALA 119 -0.279 -12.117 1.611 878 H LEU 120 H LEU 120 1.289 -12.216 4.412 879 HA LEU 120 HA LEU 120 -0.557 -14.009 5.871 880 HB2 LEU 120 HB2 LEU 120 1.276 -15.720 5.650 881 HB3 LEU 120 HB3 LEU 120 0.551 -15.222 4.139 882 HG LEU 120 HG LEU 120 2.662 -13.605 3.978 883 HD11 LEU 120 HD11 LEU 120 4.719 -14.509 4.937 884 HD12 LEU 120 HD12 LEU 120 3.798 -15.745 5.798 885 HD13 LEU 120 HD13 LEU 120 3.581 -14.043 6.202 886 HD21 LEU 120 HD21 LEU 120 2.896 -16.580 3.430 887 HD22 LEU 120 HD22 LEU 120 3.898 -15.312 2.714 888 HD23 LEU 120 HD23 LEU 120 2.172 -15.372 2.364 889 HA PRO 121 HA PRO 121 1.265 -12.632 9.717 890 HB2 PRO 121 HB2 PRO 121 1.022 -15.374 10.850 891 HB3 PRO 121 HB3 PRO 121 0.197 -13.887 11.324 892 HG2 PRO 121 HG2 PRO 121 -1.106 -15.882 10.048 893 HG3 PRO 121 HG3 PRO 121 -1.510 -14.176 9.757 894 HD2 PRO 121 HD2 PRO 121 0.193 -16.034 8.079 895 HD3 PRO 121 HD3 PRO 121 -1.069 -14.888 7.565 896 H VAL 122 H VAL 122 3.435 -12.255 9.018 897 HA VAL 122 HA VAL 122 5.336 -14.141 10.270 898 HB VAL 122 HB VAL 122 5.592 -14.392 7.816 899 HG11 VAL 122 HG11 VAL 122 6.480 -12.568 6.396 900 HG12 VAL 122 HG12 VAL 122 6.328 -11.441 7.747 901 HG13 VAL 122 HG13 VAL 122 4.884 -12.171 7.044 902 HG21 VAL 122 HG21 VAL 122 7.557 -14.734 9.270 903 HG22 VAL 122 HG22 VAL 122 7.988 -13.029 9.114 904 HG23 VAL 122 HG23 VAL 122 8.044 -14.085 7.702 905 H LEU 123 H LEU 123 6.671 -13.230 11.709 906 HA LEU 123 HA LEU 123 6.721 -10.289 12.014 907 HB2 LEU 123 HB2 LEU 123 5.670 -11.690 13.825 908 HB3 LEU 123 HB3 LEU 123 7.225 -12.438 14.110 909 HG LEU 123 HG LEU 123 6.924 -9.432 14.390 910 HD11 LEU 123 HD11 LEU 123 6.383 -9.688 16.782 911 HD12 LEU 123 HD12 LEU 123 6.226 -11.433 16.562 912 HD13 LEU 123 HD13 LEU 123 5.111 -10.335 15.745 913 HD21 LEU 123 HD21 LEU 123 8.743 -9.660 16.056 914 HD22 LEU 123 HD22 LEU 123 9.223 -10.299 14.488 915 HD23 LEU 123 HD23 LEU 123 8.777 -11.407 15.789 916 H GLU 124 H GLU 124 8.594 -9.320 11.563 917 HA GLU 124 HA GLU 124 11.152 -10.498 12.371 918 HB2 GLU 124 HB2 GLU 124 10.661 -10.970 9.858 919 HB3 GLU 124 HB3 GLU 124 10.860 -9.238 9.602 920 HG2 GLU 124 HG2 GLU 124 13.168 -9.391 10.503 921 HG3 GLU 124 HG3 GLU 124 12.951 -11.125 10.722 922 H HIS 125 H HIS 125 9.150 -8.177 12.936 923 HA HIS 125 HA HIS 125 9.078 -6.073 13.692 924 HB2 HIS 125 HB2 HIS 125 12.112 -6.225 13.857 925 HB3 HIS 125 HB3 HIS 125 11.099 -5.026 14.657 926 HD1 HIS 125 HD1 HIS 125 9.386 -6.075 16.501 927 HD2 HIS 125 HD2 HIS 125 12.563 -8.484 15.340 928 HE1 HIS 125 HE1 HIS 125 9.572 -7.833 18.269 929 HE2 HIS 125 HE2 HIS 125 11.618 -9.147 17.651 930 H HIS 126 H HIS 126 8.287 -4.698 12.208 931 HA HIS 126 HA HIS 126 9.478 -4.084 9.691 932 HB2 HIS 126 HB2 HIS 126 7.294 -2.593 11.200 933 HB3 HIS 126 HB3 HIS 126 7.707 -2.335 9.507 934 HD1 HIS 126 HD1 HIS 126 5.456 -4.201 11.620 935 HD2 HIS 126 HD2 HIS 126 7.161 -4.749 7.874 936 HE1 HIS 126 HE1 HIS 126 3.994 -5.859 10.457 937 HE2 HIS 126 HE2 HIS 126 4.893 -5.948 8.121 938 H HIS 127 H HIS 127 10.926 -2.536 9.120 939 HA HIS 127 HA HIS 127 11.099 0.054 10.285 940 HB2 HIS 127 HB2 HIS 127 12.377 -1.500 11.973 941 HB3 HIS 127 HB3 HIS 127 13.645 -1.553 10.756 942 HD1 HIS 127 HD1 HIS 127 15.029 0.632 10.404 943 HD2 HIS 127 HD2 HIS 127 12.109 0.931 13.344 944 HE1 HIS 127 HE1 HIS 127 15.539 2.750 11.643 945 HE2 HIS 127 HE2 HIS 127 13.825 2.856 13.476 946 H HIS 128 H HIS 128 12.548 -2.440 8.243 947 HA HIS 128 HA HIS 128 14.017 -0.743 6.468 948 HB2 HIS 128 HB2 HIS 128 12.838 -3.530 6.076 949 HB3 HIS 128 HB3 HIS 128 13.888 -2.739 4.905 950 HD1 HIS 128 HD1 HIS 128 14.005 -4.992 7.712 951 HD2 HIS 128 HD2 HIS 128 16.550 -2.136 6.096 952 HE1 HIS 128 HE1 HIS 128 16.284 -5.555 8.584 953 HE2 HIS 128 HE2 HIS 128 17.758 -3.705 7.746 954 H HIS 129 H HIS 129 13.004 0.892 5.358 955 HA HIS 129 HA HIS 129 10.539 0.308 3.806 956 HB2 HIS 129 HB2 HIS 129 10.923 2.882 5.389 957 HB3 HIS 129 HB3 HIS 129 9.516 2.436 4.433 958 HD1 HIS 129 HD1 HIS 129 8.876 -0.325 5.467 959 HD2 HIS 129 HD2 HIS 129 10.048 2.795 7.951 960 HE1 HIS 129 HE1 HIS 129 8.086 -0.955 7.752 961 HE2 HIS 129 HE2 HIS 129 8.571 1.065 9.163 962 H HIS 130 H HIS 130 13.356 2.455 4.253 963 HA HIS 130 HA HIS 130 14.373 4.067 3.048 964 HB2 HIS 130 HB2 HIS 130 13.119 2.620 0.681 965 HB3 HIS 130 HB3 HIS 130 14.157 4.029 0.483 966 HD1 HIS 130 HD1 HIS 130 14.297 0.495 1.849 967 HD2 HIS 130 HD2 HIS 130 16.834 3.480 0.487 968 HE1 HIS 130 HE1 HIS 130 16.566 -0.552 1.751 969 HE2 HIS 130 HE2 HIS 130 18.101 1.310 1.063 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -5.389 6.999 -12.657 2 H2 MET 1 H2 MET 1 -4.245 5.799 -12.967 3 H3 MET 1 H3 MET 1 -5.435 5.553 -11.788 4 HA MET 1 HA MET 1 -5.911 5.879 -14.688 5 HB2 MET 1 HB2 MET 1 -6.022 3.385 -12.940 6 HB3 MET 1 HB3 MET 1 -6.583 3.454 -14.608 7 HG2 MET 1 HG2 MET 1 -4.307 3.981 -15.361 8 HG3 MET 1 HG3 MET 1 -3.737 3.925 -13.689 9 HE1 MET 1 HE1 MET 1 -2.217 0.669 -15.337 10 HE2 MET 1 HE2 MET 1 -1.840 2.162 -14.478 11 HE3 MET 1 HE3 MET 1 -2.468 2.226 -16.126 12 H GLY 2 H GLY 2 -7.931 6.438 -15.237 13 HA2 GLY 2 HA2 GLY 2 -9.832 7.247 -13.242 14 HA3 GLY 2 HA3 GLY 2 -10.034 7.339 -14.982 15 H GLN 3 H GLN 3 -10.115 4.853 -15.914 16 HA GLN 3 HA GLN 3 -12.537 3.730 -14.684 17 HB2 GLN 3 HB2 GLN 3 -12.460 4.273 -17.143 18 HB3 GLN 3 HB3 GLN 3 -11.268 3.002 -17.366 19 HG2 GLN 3 HG2 GLN 3 -13.867 2.227 -16.069 20 HG3 GLN 3 HG3 GLN 3 -13.921 2.637 -17.777 21 HE21 GLN 3 HE21 GLN 3 -14.605 0.465 -18.161 22 HE22 GLN 3 HE22 GLN 3 -13.477 -0.846 -18.169 23 H GLY 4 H GLY 4 -12.590 1.876 -13.609 24 HA2 GLY 4 HA2 GLY 4 -10.887 -0.391 -14.172 25 HA3 GLY 4 HA3 GLY 4 -10.572 0.338 -12.598 26 H GLN 5 H GLN 5 -11.592 -2.340 -13.008 27 HA GLN 5 HA GLN 5 -14.230 -2.073 -11.661 28 HB2 GLN 5 HB2 GLN 5 -13.162 -4.308 -13.425 29 HB3 GLN 5 HB3 GLN 5 -14.501 -4.565 -12.307 30 HG2 GLN 5 HG2 GLN 5 -15.817 -2.837 -13.419 31 HG3 GLN 5 HG3 GLN 5 -14.479 -2.481 -14.497 32 HE21 GLN 5 HE21 GLN 5 -14.025 -3.941 -16.192 33 HE22 GLN 5 HE22 GLN 5 -15.142 -5.169 -16.662 34 H ASN 6 H ASN 6 -14.271 -2.527 -9.611 35 HA ASN 6 HA ASN 6 -11.955 -3.137 -8.088 36 HB2 ASN 6 HB2 ASN 6 -14.880 -3.161 -7.222 37 HB3 ASN 6 HB3 ASN 6 -13.499 -3.126 -6.131 38 HD21 ASN 6 HD21 ASN 6 -12.348 -1.186 -5.900 39 HD22 ASN 6 HD22 ASN 6 -13.002 0.318 -6.428 40 H VAL 7 H VAL 7 -11.544 -4.927 -6.701 41 HA VAL 7 HA VAL 7 -12.253 -7.567 -7.513 42 HB VAL 7 HB VAL 7 -11.024 -8.351 -5.595 43 HG11 VAL 7 HG11 VAL 7 -9.764 -5.734 -6.497 44 HG12 VAL 7 HG12 VAL 7 -9.637 -7.287 -7.328 45 HG13 VAL 7 HG13 VAL 7 -8.908 -7.079 -5.735 46 HG21 VAL 7 HG21 VAL 7 -10.349 -6.912 -3.671 47 HG22 VAL 7 HG22 VAL 7 -12.104 -7.040 -3.796 48 HG23 VAL 7 HG23 VAL 7 -11.289 -5.575 -4.344 49 H LEU 8 H LEU 8 -13.701 -5.224 -5.479 50 HA LEU 8 HA LEU 8 -15.472 -6.752 -3.883 51 HB2 LEU 8 HB2 LEU 8 -15.757 -3.887 -4.841 52 HB3 LEU 8 HB3 LEU 8 -16.548 -4.618 -3.457 53 HG LEU 8 HG LEU 8 -13.563 -4.099 -3.715 54 HD11 LEU 8 HD11 LEU 8 -13.899 -2.440 -1.962 55 HD12 LEU 8 HD12 LEU 8 -15.637 -2.747 -1.986 56 HD13 LEU 8 HD13 LEU 8 -14.838 -2.059 -3.403 57 HD21 LEU 8 HD21 LEU 8 -13.948 -6.127 -2.379 58 HD22 LEU 8 HD22 LEU 8 -15.087 -5.259 -1.347 59 HD23 LEU 8 HD23 LEU 8 -13.380 -4.807 -1.357 60 H GLY 9 H GLY 9 -15.693 -5.263 -7.083 61 HA2 GLY 9 HA2 GLY 9 -18.337 -6.360 -7.667 62 HA3 GLY 9 HA3 GLY 9 -17.328 -5.393 -8.735 63 H GLN 10 H GLN 10 -16.117 -6.417 -10.264 64 HA GLN 10 HA GLN 10 -15.042 -9.043 -10.013 65 HB2 GLN 10 HB2 GLN 10 -16.305 -10.152 -11.849 66 HB3 GLN 10 HB3 GLN 10 -17.327 -9.768 -10.470 67 HG2 GLN 10 HG2 GLN 10 -18.202 -7.783 -11.686 68 HG3 GLN 10 HG3 GLN 10 -17.202 -8.216 -13.073 69 HE21 GLN 10 HE21 GLN 10 -19.991 -9.115 -11.169 70 HE22 GLN 10 HE22 GLN 10 -20.672 -10.200 -12.322 71 H ASP 11 H ASP 11 -13.334 -9.311 -11.381 72 HA ASP 11 HA ASP 11 -13.191 -8.084 -13.990 73 HB2 ASP 11 HB2 ASP 11 -12.430 -6.252 -12.340 74 HB3 ASP 11 HB3 ASP 11 -11.031 -7.264 -11.989 75 H LEU 12 H LEU 12 -11.378 -8.848 -15.260 76 HA LEU 12 HA LEU 12 -10.625 -11.558 -14.795 77 HB2 LEU 12 HB2 LEU 12 -10.788 -9.934 -17.017 78 HB3 LEU 12 HB3 LEU 12 -9.052 -9.980 -16.805 79 HG LEU 12 HG LEU 12 -10.840 -12.425 -17.188 80 HD11 LEU 12 HD11 LEU 12 -10.758 -11.069 -19.214 81 HD12 LEU 12 HD12 LEU 12 -9.889 -12.583 -19.438 82 HD13 LEU 12 HD13 LEU 12 -8.992 -11.082 -19.184 83 HD21 LEU 12 HD21 LEU 12 -7.804 -12.275 -17.134 84 HD22 LEU 12 HD22 LEU 12 -8.767 -13.710 -17.498 85 HD23 LEU 12 HD23 LEU 12 -8.833 -12.993 -15.890 86 H GLU 13 H GLU 13 -9.055 -8.462 -14.259 87 HA GLU 13 HA GLU 13 -7.280 -7.735 -13.079 88 HB2 GLU 13 HB2 GLU 13 -7.411 -10.477 -11.762 89 HB3 GLU 13 HB3 GLU 13 -6.503 -9.097 -11.145 90 HG2 GLU 13 HG2 GLU 13 -8.636 -7.838 -10.890 91 HG3 GLU 13 HG3 GLU 13 -9.521 -9.258 -11.451 92 H VAL 14 H VAL 14 -6.779 -9.044 -15.638 93 HA VAL 14 HA VAL 14 -4.203 -10.423 -15.313 94 HB VAL 14 HB VAL 14 -5.984 -11.502 -16.684 95 HG11 VAL 14 HG11 VAL 14 -5.634 -9.192 -18.635 96 HG12 VAL 14 HG12 VAL 14 -7.066 -9.519 -17.658 97 HG13 VAL 14 HG13 VAL 14 -6.588 -10.651 -18.925 98 HG21 VAL 14 HG21 VAL 14 -3.647 -12.094 -17.091 99 HG22 VAL 14 HG22 VAL 14 -3.477 -10.766 -18.241 100 HG23 VAL 14 HG23 VAL 14 -4.547 -12.121 -18.611 101 H CYS 15 H CYS 15 -2.276 -9.580 -15.991 102 HA CYS 15 HA CYS 15 -2.036 -6.845 -16.930 103 HB2 CYS 15 HB2 CYS 15 -0.329 -7.748 -15.412 104 HB3 CYS 15 HB3 CYS 15 0.059 -9.031 -16.552 105 HG CYS 15 HG CYS 15 0.747 -6.835 -18.494 106 H CYS 16 H CYS 16 -1.749 -10.080 -18.297 107 HA CYS 16 HA CYS 16 -0.927 -9.286 -20.945 108 HB2 CYS 16 HB2 CYS 16 -0.350 -11.514 -20.131 109 HB3 CYS 16 HB3 CYS 16 -2.047 -11.910 -19.880 110 HG CYS 16 HG CYS 16 -0.332 -11.672 -22.803 111 H CYS 17 H CYS 17 -2.481 -7.701 -21.548 112 HA CYS 17 HA CYS 17 -5.171 -8.741 -22.301 113 HB2 CYS 17 HB2 CYS 17 -5.942 -6.360 -22.160 114 HB3 CYS 17 HB3 CYS 17 -5.352 -6.973 -20.618 115 HG CYS 17 HG CYS 17 -4.078 -4.769 -20.264 116 H ALA 18 H ALA 18 -2.816 -6.218 -23.269 117 HA ALA 18 HA ALA 18 -3.290 -6.793 -26.124 118 HB1 ALA 18 HB1 ALA 18 -1.803 -4.457 -24.880 119 HB2 ALA 18 HB2 ALA 18 -3.472 -4.430 -25.448 120 HB3 ALA 18 HB3 ALA 18 -2.156 -4.675 -26.598 121 HA PRO 19 HA PRO 19 1.447 -7.757 -25.772 122 HB2 PRO 19 HB2 PRO 19 2.797 -7.729 -23.448 123 HB3 PRO 19 HB3 PRO 19 2.440 -6.220 -24.304 124 HG2 PRO 19 HG2 PRO 19 0.983 -7.451 -21.956 125 HG3 PRO 19 HG3 PRO 19 1.520 -5.770 -22.177 126 HD2 PRO 19 HD2 PRO 19 -1.058 -6.608 -22.700 127 HD3 PRO 19 HD3 PRO 19 -0.294 -5.235 -23.528 128 H MET 20 H MET 20 2.601 -9.767 -25.399 129 HA MET 20 HA MET 20 1.027 -12.034 -24.693 130 HB2 MET 20 HB2 MET 20 4.038 -11.833 -25.110 131 HB3 MET 20 HB3 MET 20 3.124 -13.340 -25.041 132 HG2 MET 20 HG2 MET 20 2.823 -11.168 -27.131 133 HG3 MET 20 HG3 MET 20 3.621 -12.729 -27.350 134 HE1 MET 20 HE1 MET 20 2.032 -13.044 -29.556 135 HE2 MET 20 HE2 MET 20 1.209 -11.520 -29.216 136 HE3 MET 20 HE3 MET 20 0.273 -12.992 -29.481 137 H THR 21 H THR 21 3.558 -10.240 -23.015 138 HA THR 21 HA THR 21 4.247 -10.048 -20.878 139 HB THR 21 HB THR 21 1.585 -11.333 -20.106 140 HG1 THR 21 HG1 THR 21 1.414 -9.459 -21.496 141 HG21 THR 21 HG21 THR 21 3.376 -9.441 -18.531 142 HG22 THR 21 HG22 THR 21 3.147 -11.157 -18.188 143 HG23 THR 21 HG23 THR 21 1.795 -10.037 -18.017 144 H GLY 22 H GLY 22 5.994 -11.481 -21.160 145 HA2 GLY 22 HA2 GLY 22 7.327 -13.325 -20.767 146 HA3 GLY 22 HA3 GLY 22 6.070 -13.966 -19.716 147 H TRP 23 H TRP 23 5.721 -16.020 -20.434 148 HA TRP 23 HA TRP 23 4.721 -16.363 -23.202 149 HB2 TRP 23 HB2 TRP 23 6.538 -18.273 -21.671 150 HB3 TRP 23 HB3 TRP 23 5.613 -18.768 -23.084 151 HD1 TRP 23 HD1 TRP 23 8.731 -16.767 -22.100 152 HE1 TRP 23 HE1 TRP 23 10.057 -16.210 -24.228 153 HE3 TRP 23 HE3 TRP 23 5.343 -18.315 -25.616 154 HZ2 TRP 23 HZ2 TRP 23 9.732 -16.397 -27.022 155 HZ3 TRP 23 HZ3 TRP 23 5.928 -18.091 -28.000 156 HH2 TRP 23 HH2 TRP 23 8.081 -17.150 -28.688 157 H TYR 24 H TYR 24 4.889 -18.179 -20.110 158 HA TYR 24 HA TYR 24 1.985 -18.314 -19.903 159 HB2 TYR 24 HB2 TYR 24 2.550 -20.167 -21.481 160 HB3 TYR 24 HB3 TYR 24 3.636 -20.861 -20.286 161 HD1 TYR 24 HD2 TYR 24 0.048 -20.182 -21.065 162 HD2 TYR 24 HD1 TYR 24 2.761 -22.247 -18.478 163 HE1 TYR 24 HE2 TYR 24 -1.816 -21.500 -20.154 164 HE2 TYR 24 HE1 TYR 24 0.894 -23.565 -17.572 165 HH TYR 24 HH TYR 24 -2.128 -23.725 -19.044 166 H ARG 25 H ARG 25 1.777 -17.683 -17.851 167 HA ARG 25 HA ARG 25 2.998 -19.270 -15.670 168 HB2 ARG 25 HB2 ARG 25 2.778 -16.221 -15.749 169 HB3 ARG 25 HB3 ARG 25 3.113 -17.133 -14.281 170 HG2 ARG 25 HG2 ARG 25 5.225 -17.952 -15.259 171 HG3 ARG 25 HG3 ARG 25 4.889 -17.064 -16.747 172 HD2 ARG 25 HD2 ARG 25 5.018 -14.933 -15.533 173 HD3 ARG 25 HD3 ARG 25 5.249 -15.795 -14.005 174 HE ARG 25 HE ARG 25 7.253 -16.541 -15.867 175 HH11 ARG 25 HH11 ARG 25 6.391 -13.927 -13.779 176 HH12 ARG 25 HH12 ARG 25 8.018 -13.392 -13.598 177 HH21 ARG 25 HH21 ARG 25 9.326 -15.836 -15.623 178 HH22 ARG 25 HH22 ARG 25 9.668 -14.454 -14.652 179 H ASN 26 H ASN 26 0.673 -16.660 -16.298 180 HA ASN 26 HA ASN 26 -1.680 -18.054 -15.512 181 HB2 ASN 26 HB2 ASN 26 -0.749 -17.691 -13.223 182 HB3 ASN 26 HB3 ASN 26 -0.619 -15.966 -13.538 183 HD21 ASN 26 HD21 ASN 26 -1.984 -15.380 -11.856 184 HD22 ASN 26 HD22 ASN 26 -3.676 -15.699 -11.854 185 H GLY 27 H GLY 27 -0.150 -14.850 -15.598 186 HA2 GLY 27 HA2 GLY 27 -1.149 -13.838 -17.918 187 HA3 GLY 27 HA3 GLY 27 -2.433 -13.507 -16.758 188 H PHE 28 H PHE 28 0.904 -13.491 -15.697 189 HA PHE 28 HA PHE 28 1.226 -10.616 -15.911 190 HB2 PHE 28 HB2 PHE 28 1.405 -10.171 -13.498 191 HB3 PHE 28 HB3 PHE 28 -0.186 -10.809 -13.876 192 HD1 PHE 28 HD1 PHE 28 -0.840 -13.101 -13.127 193 HD2 PHE 28 HD2 PHE 28 2.962 -11.432 -12.077 194 HE1 PHE 28 HE1 PHE 28 -0.552 -14.818 -11.392 195 HE2 PHE 28 HE2 PHE 28 3.238 -13.157 -10.350 196 HZ PHE 28 HZ PHE 28 1.481 -14.851 -10.004 197 H CYS 29 H CYS 29 3.296 -9.867 -15.381 198 HA CYS 29 HA CYS 29 5.377 -11.745 -14.470 199 HB2 CYS 29 HB2 CYS 29 6.956 -11.086 -16.226 200 HB3 CYS 29 HB3 CYS 29 5.498 -11.710 -16.990 201 HG CYS 29 HG CYS 29 5.796 -9.727 -18.668 202 H GLN 30 H GLN 30 7.330 -10.594 -13.707 203 HA GLN 30 HA GLN 30 6.653 -8.229 -12.200 204 HB2 GLN 30 HB2 GLN 30 9.219 -9.859 -12.389 205 HB3 GLN 30 HB3 GLN 30 9.094 -8.410 -11.400 206 HG2 GLN 30 HG2 GLN 30 8.800 -10.313 -9.968 207 HG3 GLN 30 HG3 GLN 30 7.245 -9.498 -10.109 208 HE21 GLN 30 HE21 GLN 30 6.095 -11.358 -9.508 209 HE22 GLN 30 HE22 GLN 30 5.956 -12.746 -10.525 210 H THR 31 H THR 31 9.619 -8.687 -14.203 211 HA THR 31 HA THR 31 9.140 -6.394 -15.870 212 HB THR 31 HB THR 31 9.805 -5.280 -13.682 213 HG1 THR 31 HG1 THR 31 11.473 -3.948 -14.760 214 HG21 THR 31 HG21 THR 31 12.180 -5.296 -13.005 215 HG22 THR 31 HG22 THR 31 12.541 -6.497 -14.246 216 HG23 THR 31 HG23 THR 31 11.489 -6.917 -12.891 217 H ASP 32 H ASP 32 11.423 -5.761 -16.966 218 HA ASP 32 HA ASP 32 12.620 -8.131 -18.121 219 HB2 ASP 32 HB2 ASP 32 13.534 -5.232 -18.389 220 HB3 ASP 32 HB3 ASP 32 13.938 -6.572 -19.460 221 H VAL 33 H VAL 33 14.809 -8.771 -17.914 222 HA VAL 33 HA VAL 33 15.954 -8.686 -15.344 223 HB VAL 33 HB VAL 33 16.323 -10.542 -16.962 224 HG11 VAL 33 HG11 VAL 33 18.002 -10.366 -18.774 225 HG12 VAL 33 HG12 VAL 33 18.180 -8.641 -18.447 226 HG13 VAL 33 HG13 VAL 33 16.641 -9.269 -19.039 227 HG21 VAL 33 HG21 VAL 33 18.922 -9.319 -15.937 228 HG22 VAL 33 HG22 VAL 33 18.704 -11.002 -16.424 229 HG23 VAL 33 HG23 VAL 33 17.832 -10.371 -15.027 230 H GLN 34 H GLN 34 16.458 -6.630 -18.135 231 HA GLN 34 HA GLN 34 18.886 -5.348 -17.272 232 HB2 GLN 34 HB2 GLN 34 18.490 -3.814 -19.173 233 HB3 GLN 34 HB3 GLN 34 18.301 -5.498 -19.655 234 HG2 GLN 34 HG2 GLN 34 15.834 -5.245 -19.516 235 HG3 GLN 34 HG3 GLN 34 16.038 -3.549 -19.086 236 HE21 GLN 34 HE21 GLN 34 16.864 -2.115 -20.688 237 HE22 GLN 34 HE22 GLN 34 16.745 -2.503 -22.366 238 H ASP 35 H ASP 35 15.455 -4.748 -16.728 239 HA ASP 35 HA ASP 35 15.795 -2.052 -15.724 240 HB2 ASP 35 HB2 ASP 35 13.423 -3.953 -15.812 241 HB3 ASP 35 HB3 ASP 35 13.343 -2.389 -14.994 242 H ARG 36 H ARG 36 17.212 -2.126 -14.061 243 HA ARG 36 HA ARG 36 16.748 -3.733 -11.660 244 HB2 ARG 36 HB2 ARG 36 18.894 -1.706 -12.417 245 HB3 ARG 36 HB3 ARG 36 18.856 -2.553 -10.873 246 HG2 ARG 36 HG2 ARG 36 19.021 -3.987 -13.553 247 HG3 ARG 36 HG3 ARG 36 20.437 -3.504 -12.615 248 HD2 ARG 36 HD2 ARG 36 18.246 -5.380 -11.633 249 HD3 ARG 36 HD3 ARG 36 19.820 -5.891 -12.245 250 HE ARG 36 HE ARG 36 20.831 -4.675 -10.351 251 HH11 ARG 36 HH11 ARG 36 17.506 -5.605 -10.005 252 HH12 ARG 36 HH12 ARG 36 17.565 -5.526 -8.281 253 HH21 ARG 36 HH21 ARG 36 20.864 -4.579 -8.162 254 HH22 ARG 36 HH22 ARG 36 19.443 -4.966 -7.255 255 H GLY 37 H GLY 37 14.705 -2.856 -11.040 256 HA2 GLY 37 HA2 GLY 37 13.477 -1.591 -9.518 257 HA3 GLY 37 HA3 GLY 37 14.818 -0.470 -9.368 258 H SER 38 H SER 38 11.956 -1.302 -11.232 259 HA SER 38 HA SER 38 12.072 1.108 -12.916 260 HB2 SER 38 HB2 SER 38 11.367 -1.124 -13.843 261 HB3 SER 38 HB3 SER 38 9.970 -1.098 -12.774 262 HG SER 38 HG SER 38 10.308 0.074 -15.175 263 H HIS 39 H HIS 39 9.173 1.588 -13.004 264 HA HIS 39 HA HIS 39 8.702 2.863 -10.358 265 HB2 HIS 39 HB2 HIS 39 9.072 4.387 -12.316 266 HB3 HIS 39 HB3 HIS 39 7.690 3.668 -13.128 267 HD1 HIS 39 HD1 HIS 39 5.505 4.811 -12.754 268 HD2 HIS 39 HD2 HIS 39 8.287 5.833 -9.842 269 HE1 HIS 39 HE1 HIS 39 4.393 6.570 -11.360 270 HE2 HIS 39 HE2 HIS 39 6.022 7.032 -9.511 271 H THR 40 H THR 40 7.958 0.065 -11.128 272 HA THR 40 HA THR 40 5.060 0.121 -11.645 273 HB THR 40 HB THR 40 5.253 -2.234 -12.219 274 HG1 THR 40 HG1 THR 40 6.645 -3.103 -10.793 275 HG21 THR 40 HG21 THR 40 6.083 -0.694 -13.984 276 HG22 THR 40 HG22 THR 40 6.943 -2.237 -14.002 277 HG23 THR 40 HG23 THR 40 7.709 -0.812 -13.297 278 H VAL 41 H VAL 41 3.807 0.295 -9.817 279 HA VAL 41 HA VAL 41 4.188 -1.695 -7.649 280 HB VAL 41 HB VAL 41 3.123 1.121 -7.104 281 HG11 VAL 41 HG11 VAL 41 4.001 -1.089 -5.194 282 HG12 VAL 41 HG12 VAL 41 2.331 -0.646 -5.555 283 HG13 VAL 41 HG13 VAL 41 3.385 0.497 -4.725 284 HG21 VAL 41 HG21 VAL 41 5.270 1.628 -5.945 285 HG22 VAL 41 HG22 VAL 41 5.495 1.383 -7.682 286 HG23 VAL 41 HG23 VAL 41 5.942 0.107 -6.547 287 H CYS 42 H CYS 42 2.356 -2.809 -7.104 288 HA CYS 42 HA CYS 42 -0.316 -1.793 -7.896 289 HB2 CYS 42 HB2 CYS 42 0.662 -4.669 -8.162 290 HB3 CYS 42 HB3 CYS 42 -1.001 -4.137 -8.424 291 HG CYS 42 HG CYS 42 1.096 -2.364 -10.274 292 H ALA 43 H ALA 43 -1.430 -1.435 -6.068 293 HA ALA 43 HA ALA 43 -1.239 -3.225 -3.744 294 HB1 ALA 43 HB1 ALA 43 0.485 -1.504 -3.355 295 HB2 ALA 43 HB2 ALA 43 -0.849 -1.312 -2.217 296 HB3 ALA 43 HB3 ALA 43 -0.709 -0.230 -3.607 297 H GLU 44 H GLU 44 -3.074 -2.974 -2.290 298 HA GLU 44 HA GLU 44 -5.369 -1.632 -3.601 299 HB2 GLU 44 HB2 GLU 44 -5.251 -4.206 -3.644 300 HB3 GLU 44 HB3 GLU 44 -5.605 -4.142 -1.922 301 HG2 GLU 44 HG2 GLU 44 -7.686 -2.904 -2.436 302 HG3 GLU 44 HG3 GLU 44 -7.311 -3.046 -4.158 303 H MET 45 H MET 45 -5.705 0.178 -2.379 304 HA MET 45 HA MET 45 -5.915 -0.006 0.529 305 HB2 MET 45 HB2 MET 45 -6.360 2.360 -1.332 306 HB3 MET 45 HB3 MET 45 -6.290 2.423 0.428 307 HG2 MET 45 HG2 MET 45 -3.913 1.516 0.230 308 HG3 MET 45 HG3 MET 45 -4.043 1.833 -1.501 309 HE1 MET 45 HE1 MET 45 -5.592 3.871 1.465 310 HE2 MET 45 HE2 MET 45 -4.358 5.103 1.737 311 HE3 MET 45 HE3 MET 45 -4.010 3.412 2.097 312 H THR 46 H THR 46 -7.802 -0.247 1.576 313 HA THR 46 HA THR 46 -10.314 -0.644 0.132 314 HB THR 46 HB THR 46 -11.236 -1.377 2.279 315 HG1 THR 46 HG1 THR 46 -10.046 -1.143 4.211 316 HG21 THR 46 HG21 THR 46 -8.382 -2.406 2.033 317 HG22 THR 46 HG22 THR 46 -9.782 -3.046 1.167 318 HG23 THR 46 HG23 THR 46 -9.690 -3.193 2.923 319 H GLU 47 H GLU 47 -12.364 0.463 1.113 320 HA GLU 47 HA GLU 47 -12.095 3.279 0.977 321 HB2 GLU 47 HB2 GLU 47 -14.213 2.071 0.419 322 HB3 GLU 47 HB3 GLU 47 -14.447 1.713 2.130 323 HG2 GLU 47 HG2 GLU 47 -14.494 4.214 2.575 324 HG3 GLU 47 HG3 GLU 47 -14.429 4.457 0.824 325 H GLU 48 H GLU 48 -12.332 1.058 3.706 326 HA GLU 48 HA GLU 48 -12.607 2.748 5.874 327 HB2 GLU 48 HB2 GLU 48 -12.710 0.286 5.970 328 HB3 GLU 48 HB3 GLU 48 -10.999 0.179 5.587 329 HG2 GLU 48 HG2 GLU 48 -11.232 -0.241 7.900 330 HG3 GLU 48 HG3 GLU 48 -10.500 1.346 7.722 331 H PHE 49 H PHE 49 -9.565 1.557 4.426 332 HA PHE 49 HA PHE 49 -7.880 3.203 6.102 333 HB2 PHE 49 HB2 PHE 49 -7.123 1.443 3.737 334 HB3 PHE 49 HB3 PHE 49 -6.003 2.127 4.918 335 HD1 PHE 49 HD1 PHE 49 -7.217 1.648 7.497 336 HD2 PHE 49 HD2 PHE 49 -7.204 -0.885 4.063 337 HE1 PHE 49 HE1 PHE 49 -7.502 -0.324 8.944 338 HE2 PHE 49 HE2 PHE 49 -7.488 -2.849 5.510 339 HZ PHE 49 HZ PHE 49 -7.638 -2.573 7.951 340 H LEU 50 H LEU 50 -9.175 3.516 2.825 341 HA LEU 50 HA LEU 50 -7.286 5.454 1.904 342 HB2 LEU 50 HB2 LEU 50 -8.617 3.822 0.483 343 HB3 LEU 50 HB3 LEU 50 -10.051 4.775 0.826 344 HG LEU 50 HG LEU 50 -8.992 6.715 -0.309 345 HD11 LEU 50 HD11 LEU 50 -6.638 6.204 -0.000 346 HD12 LEU 50 HD12 LEU 50 -6.984 6.369 -1.719 347 HD13 LEU 50 HD13 LEU 50 -6.783 4.761 -1.010 348 HD21 LEU 50 HD21 LEU 50 -9.265 5.879 -2.620 349 HD22 LEU 50 HD22 LEU 50 -10.538 5.281 -1.559 350 HD23 LEU 50 HD23 LEU 50 -9.207 4.217 -2.024 351 H LEU 51 H LEU 51 -10.607 5.527 3.196 352 HA LEU 51 HA LEU 51 -11.002 8.320 3.330 353 HB2 LEU 51 HB2 LEU 51 -12.145 5.987 4.897 354 HB3 LEU 51 HB3 LEU 51 -12.537 7.621 5.372 355 HG LEU 51 HG LEU 51 -13.191 6.377 2.680 356 HD11 LEU 51 HD11 LEU 51 -14.574 5.463 4.482 357 HD12 LEU 51 HD12 LEU 51 -15.535 6.494 3.427 358 HD13 LEU 51 HD13 LEU 51 -15.015 7.092 5.007 359 HD21 LEU 51 HD21 LEU 51 -14.481 8.446 2.256 360 HD22 LEU 51 HD22 LEU 51 -12.759 8.770 2.425 361 HD23 LEU 51 HD23 LEU 51 -13.859 9.144 3.755 362 H PHE 52 H PHE 52 -9.547 6.025 5.702 363 HA PHE 52 HA PHE 52 -9.292 7.898 7.825 364 HB2 PHE 52 HB2 PHE 52 -9.268 5.433 8.187 365 HB3 PHE 52 HB3 PHE 52 -7.676 5.342 7.436 366 HD1 PHE 52 HD1 PHE 52 -9.519 6.875 10.319 367 HD2 PHE 52 HD2 PHE 52 -5.705 5.718 8.757 368 HE1 PHE 52 HE1 PHE 52 -8.471 7.382 12.487 369 HE2 PHE 52 HE2 PHE 52 -4.673 6.218 10.933 370 HZ PHE 52 HZ PHE 52 -6.050 7.051 12.798 371 H SER 53 H SER 53 -6.935 6.853 5.356 372 HA SER 53 HA SER 53 -4.632 8.201 6.227 373 HB2 SER 53 HB2 SER 53 -4.560 6.560 4.390 374 HB3 SER 53 HB3 SER 53 -5.519 7.625 3.366 375 HG SER 53 HG SER 53 -3.005 8.397 4.442 376 H ARG 54 H ARG 54 -7.327 9.346 4.235 377 HA ARG 54 HA ARG 54 -6.375 12.064 4.012 378 HB2 ARG 54 HB2 ARG 54 -9.114 10.877 3.434 379 HB3 ARG 54 HB3 ARG 54 -8.628 12.530 3.051 380 HG2 ARG 54 HG2 ARG 54 -6.770 11.509 1.621 381 HG3 ARG 54 HG3 ARG 54 -7.585 9.954 1.840 382 HD2 ARG 54 HD2 ARG 54 -8.236 11.029 -0.286 383 HD3 ARG 54 HD3 ARG 54 -9.619 10.872 0.798 384 HE ARG 54 HE ARG 54 -9.517 13.215 1.252 385 HH11 ARG 54 HH11 ARG 54 -7.375 12.296 -1.320 386 HH12 ARG 54 HH12 ARG 54 -7.259 13.910 -1.920 387 HH21 ARG 54 HH21 ARG 54 -9.307 15.249 0.477 388 HH22 ARG 54 HH22 ARG 54 -8.328 15.556 -0.917 389 H ASP 55 H ASP 55 -8.418 10.315 6.303 390 HA ASP 55 HA ASP 55 -10.139 12.407 7.101 391 HB2 ASP 55 HB2 ASP 55 -10.505 9.909 7.435 392 HB3 ASP 55 HB3 ASP 55 -9.360 9.971 8.765 393 H ARG 56 H ARG 56 -6.898 11.641 8.071 394 HA ARG 56 HA ARG 56 -6.830 13.562 10.252 395 HB2 ARG 56 HB2 ARG 56 -4.513 12.238 8.781 396 HB3 ARG 56 HB3 ARG 56 -4.438 13.065 10.332 397 HG2 ARG 56 HG2 ARG 56 -5.924 10.464 9.788 398 HG3 ARG 56 HG3 ARG 56 -4.348 10.597 10.564 399 HD2 ARG 56 HD2 ARG 56 -5.923 10.276 12.329 400 HD3 ARG 56 HD3 ARG 56 -5.492 11.987 12.380 401 HE ARG 56 HE ARG 56 -7.877 11.412 10.845 402 HH11 ARG 56 HH11 ARG 56 -6.728 12.135 14.023 403 HH12 ARG 56 HH12 ARG 56 -8.261 12.734 14.542 404 HH21 ARG 56 HH21 ARG 56 -9.798 12.246 11.514 405 HH22 ARG 56 HH22 ARG 56 -9.974 12.793 13.148 406 H GLY 57 H GLY 57 -7.571 15.486 9.307 407 HA2 GLY 57 HA2 GLY 57 -6.940 17.647 8.624 408 HA3 GLY 57 HA3 GLY 57 -5.598 16.981 7.717 409 H ASN 58 H ASN 58 -6.626 15.322 5.892 410 HA ASN 58 HA ASN 58 -7.989 17.226 4.070 411 HB2 ASN 58 HB2 ASN 58 -6.425 14.677 3.424 412 HB3 ASN 58 HB3 ASN 58 -6.982 15.875 2.259 413 HD21 ASN 58 HD21 ASN 58 -4.665 15.181 4.768 414 HD22 ASN 58 HD22 ASN 58 -3.595 16.492 4.430 415 H ASP 59 H ASP 59 -9.680 15.889 5.882 416 HA ASP 59 HA ASP 59 -10.571 13.336 5.434 417 HB2 ASP 59 HB2 ASP 59 -12.744 14.158 6.583 418 HB3 ASP 59 HB3 ASP 59 -11.219 14.345 7.439 419 H LEU 60 H LEU 60 -11.902 16.231 3.828 420 HA LEU 60 HA LEU 60 -13.969 14.990 2.396 421 HB2 LEU 60 HB2 LEU 60 -14.010 16.910 0.913 422 HB3 LEU 60 HB3 LEU 60 -13.818 17.432 2.571 423 HG LEU 60 HG LEU 60 -11.603 17.408 0.470 424 HD11 LEU 60 HD11 LEU 60 -13.167 19.755 1.581 425 HD12 LEU 60 HD12 LEU 60 -13.290 19.087 -0.048 426 HD13 LEU 60 HD13 LEU 60 -11.791 19.852 0.474 427 HD21 LEU 60 HD21 LEU 60 -11.536 18.561 3.277 428 HD22 LEU 60 HD22 LEU 60 -10.261 18.715 2.062 429 HD23 LEU 60 HD23 LEU 60 -10.666 17.131 2.721 430 H MET 61 H MET 61 -13.557 13.099 1.469 431 HA MET 61 HA MET 61 -11.203 12.197 0.243 432 HB2 MET 61 HB2 MET 61 -12.945 10.710 1.193 433 HB3 MET 61 HB3 MET 61 -14.055 11.165 -0.090 434 HG2 MET 61 HG2 MET 61 -12.517 10.117 -1.742 435 HG3 MET 61 HG3 MET 61 -11.480 9.601 -0.405 436 HE1 MET 61 HE1 MET 61 -11.632 7.015 -1.062 437 HE2 MET 61 HE2 MET 61 -12.557 7.493 -2.489 438 HE3 MET 61 HE3 MET 61 -13.151 6.204 -1.440 439 H THR 62 H THR 62 -14.305 12.888 -1.377 440 HA THR 62 HA THR 62 -12.887 13.707 -3.849 441 HB THR 62 HB THR 62 -15.807 12.809 -3.627 442 HG1 THR 62 HG1 THR 62 -15.133 10.808 -3.814 443 HG21 THR 62 HG21 THR 62 -15.307 14.218 -5.608 444 HG22 THR 62 HG22 THR 62 -15.656 12.555 -6.083 445 HG23 THR 62 HG23 THR 62 -13.988 13.131 -6.050 446 HA PRO 63 HA PRO 63 -14.334 17.628 -1.840 447 HB2 PRO 63 HB2 PRO 63 -12.807 19.346 -3.399 448 HB3 PRO 63 HB3 PRO 63 -12.187 18.490 -1.983 449 HG2 PRO 63 HG2 PRO 63 -11.956 17.743 -4.899 450 HG3 PRO 63 HG3 PRO 63 -10.698 17.731 -3.642 451 HD2 PRO 63 HD2 PRO 63 -11.927 15.452 -4.382 452 HD3 PRO 63 HD3 PRO 63 -11.498 15.735 -2.680 453 H ARG 64 H ARG 64 -14.111 17.220 -5.366 454 HA ARG 64 HA ARG 64 -16.261 19.138 -5.924 455 HB2 ARG 64 HB2 ARG 64 -14.449 17.477 -7.738 456 HB3 ARG 64 HB3 ARG 64 -15.663 18.612 -8.327 457 HG2 ARG 64 HG2 ARG 64 -14.472 20.478 -7.247 458 HG3 ARG 64 HG3 ARG 64 -13.270 19.356 -6.602 459 HD2 ARG 64 HD2 ARG 64 -12.483 18.829 -8.842 460 HD3 ARG 64 HD3 ARG 64 -13.796 19.765 -9.570 461 HE ARG 64 HE ARG 64 -12.045 21.283 -7.823 462 HH11 ARG 64 HH11 ARG 64 -12.588 20.282 -11.098 463 HH12 ARG 64 HH12 ARG 64 -11.670 21.590 -11.754 464 HH21 ARG 64 HH21 ARG 64 -10.902 22.945 -8.688 465 HH22 ARG 64 HH22 ARG 64 -10.740 23.091 -10.402 466 HA PRO 65 HA PRO 65 -19.440 15.904 -6.631 467 HB2 PRO 65 HB2 PRO 65 -20.865 16.993 -8.731 468 HB3 PRO 65 HB3 PRO 65 -21.026 17.542 -7.057 469 HG2 PRO 65 HG2 PRO 65 -19.362 18.719 -9.287 470 HG3 PRO 65 HG3 PRO 65 -20.428 19.554 -8.132 471 HD2 PRO 65 HD2 PRO 65 -17.753 19.497 -7.774 472 HD3 PRO 65 HD3 PRO 65 -18.861 19.408 -6.387 473 H GLU 66 H GLU 66 -17.147 16.862 -9.041 474 HA GLU 66 HA GLU 66 -17.656 14.772 -10.960 475 HB2 GLU 66 HB2 GLU 66 -15.262 16.608 -10.538 476 HB3 GLU 66 HB3 GLU 66 -15.337 15.414 -11.825 477 HG2 GLU 66 HG2 GLU 66 -15.874 17.603 -12.703 478 HG3 GLU 66 HG3 GLU 66 -17.286 16.552 -12.801 479 H PHE 67 H PHE 67 -16.148 13.037 -11.446 480 HA PHE 67 HA PHE 67 -15.448 11.508 -9.083 481 HB2 PHE 67 HB2 PHE 67 -15.222 9.619 -10.577 482 HB3 PHE 67 HB3 PHE 67 -16.648 10.521 -11.067 483 HD1 PHE 67 HD1 PHE 67 -16.218 12.319 -13.021 484 HD2 PHE 67 HD2 PHE 67 -13.721 8.927 -12.264 485 HE1 PHE 67 HE1 PHE 67 -15.369 12.423 -15.327 486 HE2 PHE 67 HE2 PHE 67 -12.877 9.040 -14.572 487 HZ PHE 67 HZ PHE 67 -13.699 10.786 -16.103 488 H ASN 68 H ASN 68 -13.714 13.824 -10.575 489 HA ASN 68 HA ASN 68 -11.181 12.486 -11.009 490 HB2 ASN 68 HB2 ASN 68 -11.845 15.464 -11.094 491 HB3 ASN 68 HB3 ASN 68 -10.347 14.723 -11.657 492 HD21 ASN 68 HD21 ASN 68 -13.703 15.274 -12.362 493 HD22 ASN 68 HD22 ASN 68 -13.666 14.694 -13.986 494 H PHE 69 H PHE 69 -10.501 11.686 -9.013 495 HA PHE 69 HA PHE 69 -9.319 13.704 -7.203 496 HB2 PHE 69 HB2 PHE 69 -9.840 12.335 -5.206 497 HB3 PHE 69 HB3 PHE 69 -11.309 12.833 -6.023 498 HD1 PHE 69 HD2 PHE 69 -9.169 9.938 -5.148 499 HD2 PHE 69 HD1 PHE 69 -12.783 11.164 -7.094 500 HE1 PHE 69 HE2 PHE 69 -9.959 7.609 -5.162 501 HE2 PHE 69 HE1 PHE 69 -13.562 8.831 -7.098 502 HZ PHE 69 HZ PHE 69 -12.154 7.052 -6.133 503 HA PRO 70 HA PRO 70 -5.631 11.225 -7.948 504 HB2 PRO 70 HB2 PRO 70 -3.968 12.082 -5.972 505 HB3 PRO 70 HB3 PRO 70 -4.441 13.126 -7.321 506 HG2 PRO 70 HG2 PRO 70 -5.544 13.041 -4.514 507 HG3 PRO 70 HG3 PRO 70 -5.126 14.457 -5.502 508 HD2 PRO 70 HD2 PRO 70 -7.701 13.519 -5.214 509 HD3 PRO 70 HD3 PRO 70 -7.147 14.399 -6.654 510 H GLY 71 H GLY 71 -6.392 9.105 -7.593 511 HA2 GLY 71 HA2 GLY 71 -5.150 7.428 -5.866 512 HA3 GLY 71 HA3 GLY 71 -6.555 7.930 -4.931 513 H LEU 72 H LEU 72 -6.680 5.420 -5.159 514 HA LEU 72 HA LEU 72 -8.099 4.609 -7.605 515 HB2 LEU 72 HB2 LEU 72 -6.752 3.043 -5.400 516 HB3 LEU 72 HB3 LEU 72 -7.963 2.262 -6.401 517 HG LEU 72 HG LEU 72 -5.785 1.731 -7.295 518 HD11 LEU 72 HD11 LEU 72 -7.581 2.078 -8.933 519 HD12 LEU 72 HD12 LEU 72 -6.002 2.479 -9.601 520 HD13 LEU 72 HD13 LEU 72 -7.104 3.770 -9.114 521 HD21 LEU 72 HD21 LEU 72 -5.228 4.710 -7.517 522 HD22 LEU 72 HD22 LEU 72 -4.184 3.407 -8.092 523 HD23 LEU 72 HD23 LEU 72 -4.484 3.594 -6.369 524 H LYS 73 H LYS 73 -9.783 2.694 -6.889 525 HA LYS 73 HA LYS 73 -11.950 4.427 -5.871 526 HB2 LYS 73 HB2 LYS 73 -11.904 2.144 -7.879 527 HB3 LYS 73 HB3 LYS 73 -13.402 2.829 -7.269 528 HG2 LYS 73 HG2 LYS 73 -13.040 3.875 -9.366 529 HG3 LYS 73 HG3 LYS 73 -12.638 5.080 -8.153 530 HD2 LYS 73 HD2 LYS 73 -10.855 5.388 -9.605 531 HD3 LYS 73 HD3 LYS 73 -10.151 4.173 -8.546 532 HE2 LYS 73 HE2 LYS 73 -11.423 3.656 -11.254 533 HE3 LYS 73 HE3 LYS 73 -9.696 3.673 -10.911 534 HZ1 LYS 73 HZ1 LYS 73 -11.655 1.757 -9.779 535 HZ2 LYS 73 HZ2 LYS 73 -9.979 1.741 -9.527 536 HZ3 LYS 73 HZ3 LYS 73 -10.602 1.439 -11.062 537 H ALA 74 H ALA 74 -10.176 2.563 -4.283 538 HA ALA 74 HA ALA 74 -10.275 1.463 -2.332 539 HB1 ALA 74 HB1 ALA 74 -12.293 1.569 -0.963 540 HB2 ALA 74 HB2 ALA 74 -13.237 2.069 -2.373 541 HB3 ALA 74 HB3 ALA 74 -11.970 3.123 -1.738 542 H GLY 75 H GLY 75 -9.967 -0.681 -2.062 543 HA2 GLY 75 HA2 GLY 75 -9.996 -2.939 -2.475 544 HA3 GLY 75 HA3 GLY 75 -11.710 -2.790 -2.831 545 H ASP 76 H ASP 76 -8.931 -1.259 -4.397 546 HA ASP 76 HA ASP 76 -9.458 -2.612 -6.969 547 HB2 ASP 76 HB2 ASP 76 -10.700 -0.350 -6.640 548 HB3 ASP 76 HB3 ASP 76 -9.119 0.413 -6.661 549 H ARG 77 H ARG 77 -7.443 -3.719 -7.004 550 HA ARG 77 HA ARG 77 -4.985 -2.353 -6.157 551 HB2 ARG 77 HB2 ARG 77 -3.927 -4.610 -6.410 552 HB3 ARG 77 HB3 ARG 77 -5.285 -4.585 -5.297 553 HG2 ARG 77 HG2 ARG 77 -6.731 -5.640 -6.995 554 HG3 ARG 77 HG3 ARG 77 -5.401 -5.619 -8.156 555 HD2 ARG 77 HD2 ARG 77 -4.091 -7.055 -6.498 556 HD3 ARG 77 HD3 ARG 77 -5.595 -7.227 -5.595 557 HE ARG 77 HE ARG 77 -6.495 -8.514 -7.330 558 HH11 ARG 77 HH11 ARG 77 -3.252 -7.569 -8.145 559 HH12 ARG 77 HH12 ARG 77 -3.097 -8.803 -9.344 560 HH21 ARG 77 HH21 ARG 77 -6.259 -10.051 -8.860 561 HH22 ARG 77 HH22 ARG 77 -4.778 -10.191 -9.739 562 H TRP 78 H TRP 78 -4.642 -0.853 -7.834 563 HA TRP 78 HA TRP 78 -3.339 -1.781 -10.259 564 HB2 TRP 78 HB2 TRP 78 -6.100 -0.490 -10.397 565 HB3 TRP 78 HB3 TRP 78 -4.968 -0.316 -11.730 566 HD1 TRP 78 HD1 TRP 78 -4.322 -2.619 -13.090 567 HE1 TRP 78 HE1 TRP 78 -5.658 -4.782 -13.446 568 HE3 TRP 78 HE3 TRP 78 -7.814 -2.081 -9.381 569 HZ2 TRP 78 HZ2 TRP 78 -7.877 -6.092 -12.330 570 HZ3 TRP 78 HZ3 TRP 78 -9.507 -3.844 -9.085 571 HH2 TRP 78 HH2 TRP 78 -9.536 -5.815 -10.534 572 H CYS 79 H CYS 79 -1.610 -0.431 -10.382 573 HA CYS 79 HA CYS 79 -0.335 1.431 -10.649 574 HB2 CYS 79 HB2 CYS 79 -2.091 2.033 -12.292 575 HB3 CYS 79 HB3 CYS 79 -2.988 2.871 -11.033 576 HG CYS 79 HG CYS 79 -1.046 4.858 -10.668 577 H LEU 80 H LEU 80 -1.859 0.945 -7.863 578 HA LEU 80 HA LEU 80 -1.845 3.457 -6.522 579 HB2 LEU 80 HB2 LEU 80 -3.075 1.307 -5.795 580 HB3 LEU 80 HB3 LEU 80 -1.529 0.701 -5.243 581 HG LEU 80 HG LEU 80 -3.033 1.563 -3.419 582 HD11 LEU 80 HD11 LEU 80 -0.622 1.422 -2.988 583 HD12 LEU 80 HD12 LEU 80 -1.368 2.759 -2.117 584 HD13 LEU 80 HD13 LEU 80 -0.416 3.075 -3.569 585 HD21 LEU 80 HD21 LEU 80 -4.057 3.432 -4.617 586 HD22 LEU 80 HD22 LEU 80 -2.523 4.304 -4.604 587 HD23 LEU 80 HD23 LEU 80 -3.356 3.959 -3.087 588 H CYS 81 H CYS 81 -0.029 4.650 -6.346 589 HA CYS 81 HA CYS 81 2.639 3.761 -6.484 590 HB2 CYS 81 HB2 CYS 81 2.071 6.082 -6.964 591 HB3 CYS 81 HB3 CYS 81 1.509 6.333 -5.315 592 HG CYS 81 HG CYS 81 4.642 6.373 -6.540 593 H ALA 82 H ALA 82 4.088 3.055 -4.978 594 HA ALA 82 HA ALA 82 3.188 1.919 -2.579 595 HB1 ALA 82 HB1 ALA 82 5.110 1.044 -3.818 596 HB2 ALA 82 HB2 ALA 82 5.527 1.340 -2.128 597 HB3 ALA 82 HB3 ALA 82 6.052 2.466 -3.381 598 H SER 83 H SER 83 4.446 5.172 -3.100 599 HA SER 83 HA SER 83 5.115 5.934 -0.476 600 HB2 SER 83 HB2 SER 83 3.739 7.621 -2.613 601 HB3 SER 83 HB3 SER 83 4.581 8.250 -1.192 602 HG SER 83 HG SER 83 6.489 7.619 -2.025 603 H ARG 84 H ARG 84 1.947 5.800 -2.056 604 HA ARG 84 HA ARG 84 0.363 6.951 0.023 605 HB2 ARG 84 HB2 ARG 84 -0.287 6.833 -2.393 606 HB3 ARG 84 HB3 ARG 84 -0.443 5.091 -2.255 607 HG2 ARG 84 HG2 ARG 84 -2.652 5.875 -2.168 608 HG3 ARG 84 HG3 ARG 84 -2.251 5.548 -0.483 609 HD2 ARG 84 HD2 ARG 84 -2.064 8.313 -1.724 610 HD3 ARG 84 HD3 ARG 84 -3.525 7.710 -0.949 611 HE ARG 84 HE ARG 84 -1.754 7.402 1.021 612 HH11 ARG 84 HH11 ARG 84 -2.195 10.131 -1.073 613 HH12 ARG 84 HH12 ARG 84 -1.813 11.264 0.172 614 HH21 ARG 84 HH21 ARG 84 -1.312 8.902 2.591 615 HH22 ARG 84 HH22 ARG 84 -1.334 10.580 2.199 616 H TRP 85 H TRP 85 1.154 3.594 -0.858 617 HA TRP 85 HA TRP 85 -0.505 2.343 1.148 618 HB2 TRP 85 HB2 TRP 85 -0.273 0.705 -0.422 619 HB3 TRP 85 HB3 TRP 85 1.142 1.466 -1.129 620 HD1 TRP 85 HD1 TRP 85 3.294 0.160 -0.925 621 HE1 TRP 85 HE1 TRP 85 4.181 -1.760 0.542 622 HE3 TRP 85 HE3 TRP 85 -0.728 -0.463 2.144 623 HZ2 TRP 85 HZ2 TRP 85 3.274 -3.354 2.689 624 HZ3 TRP 85 HZ3 TRP 85 -0.645 -2.208 3.868 625 HH2 TRP 85 HH2 TRP 85 1.318 -3.627 4.135 626 H GLN 86 H GLN 86 3.095 2.553 0.817 627 HA GLN 86 HA GLN 86 3.933 1.613 3.206 628 HB2 GLN 86 HB2 GLN 86 5.425 2.384 1.386 629 HB3 GLN 86 HB3 GLN 86 5.153 4.047 1.858 630 HG2 GLN 86 HG2 GLN 86 7.328 2.929 2.651 631 HG3 GLN 86 HG3 GLN 86 6.396 3.829 3.859 632 HE21 GLN 86 HE21 GLN 86 6.909 2.770 5.694 633 HE22 GLN 86 HE22 GLN 86 6.742 1.073 5.970 634 H GLU 87 H GLU 87 2.773 4.971 2.657 635 HA GLU 87 HA GLU 87 3.361 6.007 5.217 636 HB2 GLU 87 HB2 GLU 87 2.675 7.478 3.318 637 HB3 GLU 87 HB3 GLU 87 1.048 6.805 3.382 638 HG2 GLU 87 HG2 GLU 87 1.076 7.667 5.884 639 HG3 GLU 87 HG3 GLU 87 2.413 8.671 5.327 640 H ALA 88 H ALA 88 0.487 4.282 4.002 641 HA ALA 88 HA ALA 88 -1.101 4.548 6.355 642 HB1 ALA 88 HB1 ALA 88 -1.304 2.434 4.181 643 HB2 ALA 88 HB2 ALA 88 -2.071 4.023 4.141 644 HB3 ALA 88 HB3 ALA 88 -2.553 2.848 5.366 645 H PHE 89 H PHE 89 1.333 2.230 5.303 646 HA PHE 89 HA PHE 89 1.115 0.349 7.421 647 HB2 PHE 89 HB2 PHE 89 2.343 -0.051 5.261 648 HB3 PHE 89 HB3 PHE 89 3.583 1.085 5.778 649 HD1 PHE 89 HD1 PHE 89 5.202 0.461 7.546 650 HD2 PHE 89 HD2 PHE 89 2.191 -2.292 6.260 651 HE1 PHE 89 HE1 PHE 89 6.363 -1.366 8.708 652 HE2 PHE 89 HE2 PHE 89 3.362 -4.108 7.425 653 HZ PHE 89 HZ PHE 89 5.442 -3.648 8.653 654 H GLU 90 H GLU 90 3.039 3.327 7.032 655 HA GLU 90 HA GLU 90 4.442 3.143 9.513 656 HB2 GLU 90 HB2 GLU 90 3.971 5.508 7.664 657 HB3 GLU 90 HB3 GLU 90 5.008 5.575 9.088 658 HG2 GLU 90 HG2 GLU 90 5.411 3.777 6.678 659 HG3 GLU 90 HG3 GLU 90 6.314 5.247 7.031 660 H ALA 91 H ALA 91 1.385 4.594 8.606 661 HA ALA 91 HA ALA 91 0.905 5.920 11.135 662 HB1 ALA 91 HB1 ALA 91 -0.999 5.301 8.848 663 HB2 ALA 91 HB2 ALA 91 -0.059 6.781 9.040 664 HB3 ALA 91 HB3 ALA 91 -1.326 6.389 10.202 665 H GLY 92 H GLY 92 0.640 2.684 10.023 666 HA2 GLY 92 HA2 GLY 92 0.610 0.987 11.724 667 HA3 GLY 92 HA3 GLY 92 -0.582 1.915 12.614 668 H MET 93 H MET 93 -1.899 2.238 9.728 669 HA MET 93 HA MET 93 -3.844 0.158 10.192 670 HB2 MET 93 HB2 MET 93 -3.688 1.988 7.761 671 HB3 MET 93 HB3 MET 93 -5.087 1.082 8.322 672 HG2 MET 93 HG2 MET 93 -5.582 3.224 9.050 673 HG3 MET 93 HG3 MET 93 -4.823 2.540 10.488 674 HE1 MET 93 HE1 MET 93 -2.830 5.517 7.569 675 HE2 MET 93 HE2 MET 93 -4.540 5.093 7.538 676 HE3 MET 93 HE3 MET 93 -3.327 3.900 7.068 677 H ALA 94 H ALA 94 -2.117 0.930 7.168 678 HA ALA 94 HA ALA 94 -1.296 -0.238 5.453 679 HB1 ALA 94 HB1 ALA 94 0.273 -1.043 7.152 680 HB2 ALA 94 HB2 ALA 94 0.009 -2.240 5.884 681 HB3 ALA 94 HB3 ALA 94 -0.769 -2.430 7.462 682 HA PRO 95 HA PRO 95 -5.094 -2.606 4.274 683 HB2 PRO 95 HB2 PRO 95 -5.128 -1.754 1.689 684 HB3 PRO 95 HB3 PRO 95 -5.691 -0.729 3.016 685 HG2 PRO 95 HG2 PRO 95 -2.976 -0.749 1.675 686 HG3 PRO 95 HG3 PRO 95 -4.051 0.636 1.982 687 HD2 PRO 95 HD2 PRO 95 -2.006 0.080 3.641 688 HD3 PRO 95 HD3 PRO 95 -3.558 0.679 4.274 689 HA PRO 96 HA PRO 96 -3.216 -6.211 2.286 690 HB2 PRO 96 HB2 PRO 96 -5.495 -6.478 0.369 691 HB3 PRO 96 HB3 PRO 96 -4.951 -7.590 1.631 692 HG2 PRO 96 HG2 PRO 96 -7.222 -6.169 1.908 693 HG3 PRO 96 HG3 PRO 96 -6.170 -6.505 3.301 694 HD2 PRO 96 HD2 PRO 96 -6.387 -3.975 1.655 695 HD3 PRO 96 HD3 PRO 96 -6.300 -4.165 3.423 696 H VAL 97 H VAL 97 -1.466 -5.946 0.994 697 HA VAL 97 HA VAL 97 -1.767 -4.819 -1.728 698 HB VAL 97 HB VAL 97 -0.147 -3.606 -0.354 699 HG11 VAL 97 HG11 VAL 97 1.913 -4.603 0.527 700 HG12 VAL 97 HG12 VAL 97 1.376 -6.202 0.001 701 HG13 VAL 97 HG13 VAL 97 0.478 -5.337 1.251 702 HG21 VAL 97 HG21 VAL 97 0.334 -3.779 -2.759 703 HG22 VAL 97 HG22 VAL 97 1.302 -5.230 -2.477 704 HG23 VAL 97 HG23 VAL 97 1.827 -3.678 -1.820 705 H VAL 98 H VAL 98 -0.468 -5.969 -3.457 706 HA VAL 98 HA VAL 98 -0.817 -8.904 -3.130 707 HB VAL 98 HB VAL 98 -2.617 -8.009 -4.441 708 HG11 VAL 98 HG11 VAL 98 -2.337 -6.701 -6.517 709 HG12 VAL 98 HG12 VAL 98 -0.589 -6.682 -6.273 710 HG13 VAL 98 HG13 VAL 98 -1.646 -5.862 -5.122 711 HG21 VAL 98 HG21 VAL 98 -2.391 -9.234 -6.573 712 HG22 VAL 98 HG22 VAL 98 -1.758 -10.173 -5.222 713 HG23 VAL 98 HG23 VAL 98 -0.647 -9.358 -6.324 714 H LEU 99 H LEU 99 1.164 -9.867 -3.045 715 HA LEU 99 HA LEU 99 3.535 -8.855 -4.267 716 HB2 LEU 99 HB2 LEU 99 2.950 -11.573 -3.067 717 HB3 LEU 99 HB3 LEU 99 4.546 -11.082 -3.618 718 HG LEU 99 HG LEU 99 2.986 -9.711 -1.392 719 HD11 LEU 99 HD11 LEU 99 5.329 -11.616 -1.177 720 HD12 LEU 99 HD12 LEU 99 3.657 -11.948 -0.715 721 HD13 LEU 99 HD13 LEU 99 4.582 -10.727 0.154 722 HD21 LEU 99 HD21 LEU 99 4.486 -8.146 -2.539 723 HD22 LEU 99 HD22 LEU 99 5.842 -9.259 -2.338 724 HD23 LEU 99 HD23 LEU 99 5.093 -8.512 -0.923 725 H GLN 100 H GLN 100 1.135 -11.169 -5.338 726 HA GLN 100 HA GLN 100 2.619 -11.999 -7.708 727 HB2 GLN 100 HB2 GLN 100 0.477 -13.237 -8.257 728 HB3 GLN 100 HB3 GLN 100 1.221 -13.679 -6.727 729 HG2 GLN 100 HG2 GLN 100 -0.427 -12.313 -5.515 730 HG3 GLN 100 HG3 GLN 100 -1.165 -11.834 -7.042 731 HE21 GLN 100 HE21 GLN 100 -2.426 -13.353 -8.173 732 HE22 GLN 100 HE22 GLN 100 -2.977 -14.818 -7.448 733 H SER 101 H SER 101 2.358 -9.230 -7.569 734 HA SER 101 HA SER 101 1.512 -8.566 -10.184 735 HB2 SER 101 HB2 SER 101 -0.749 -8.581 -9.066 736 HB3 SER 101 HB3 SER 101 -0.192 -7.307 -7.985 737 HG SER 101 HG SER 101 0.313 -6.221 -10.170 738 H THR 102 H THR 102 2.679 -7.564 -6.985 739 HA THR 102 HA THR 102 3.784 -5.031 -7.783 740 HB THR 102 HB THR 102 5.188 -5.270 -5.657 741 HG1 THR 102 HG1 THR 102 4.787 -7.747 -5.848 742 HG21 THR 102 HG21 THR 102 3.027 -4.091 -5.592 743 HG22 THR 102 HG22 THR 102 3.319 -4.975 -4.092 744 HG23 THR 102 HG23 THR 102 2.200 -5.621 -5.292 745 H GLU 103 H GLU 103 6.300 -4.859 -7.090 746 HA GLU 103 HA GLU 103 7.994 -6.823 -8.447 747 HB2 GLU 103 HB2 GLU 103 6.922 -4.788 -9.970 748 HB3 GLU 103 HB3 GLU 103 8.340 -3.961 -9.357 749 HG2 GLU 103 HG2 GLU 103 8.383 -6.555 -10.934 750 HG3 GLU 103 HG3 GLU 103 8.595 -4.954 -11.630 751 H LYS 104 H LYS 104 10.356 -6.142 -8.174 752 HA LYS 104 HA LYS 104 11.152 -5.141 -5.656 753 HB2 LYS 104 HB2 LYS 104 12.679 -5.461 -8.272 754 HB3 LYS 104 HB3 LYS 104 13.454 -4.910 -6.797 755 HG2 LYS 104 HG2 LYS 104 13.896 -7.282 -7.168 756 HG3 LYS 104 HG3 LYS 104 12.957 -7.050 -5.693 757 HD2 LYS 104 HD2 LYS 104 10.931 -7.831 -6.781 758 HD3 LYS 104 HD3 LYS 104 11.713 -7.838 -8.360 759 HE2 LYS 104 HE2 LYS 104 12.508 -9.645 -6.049 760 HE3 LYS 104 HE3 LYS 104 11.435 -10.115 -7.369 761 HZ1 LYS 104 HZ1 LYS 104 13.676 -10.860 -7.797 762 HZ2 LYS 104 HZ2 LYS 104 14.271 -9.286 -7.641 763 HZ3 LYS 104 HZ3 LYS 104 13.247 -9.676 -8.928 764 H SER 105 H SER 105 10.247 -3.490 -8.589 765 HA SER 105 HA SER 105 11.182 -0.885 -8.245 766 HB2 SER 105 HB2 SER 105 8.423 -1.765 -9.195 767 HB3 SER 105 HB3 SER 105 9.193 -0.212 -9.546 768 HG SER 105 HG SER 105 9.684 -2.737 -10.612 769 H ALA 106 H ALA 106 8.463 -2.513 -6.624 770 HA ALA 106 HA ALA 106 7.369 -0.289 -5.244 771 HB1 ALA 106 HB1 ALA 106 7.327 -3.219 -4.442 772 HB2 ALA 106 HB2 ALA 106 6.156 -2.415 -5.492 773 HB3 ALA 106 HB3 ALA 106 6.276 -1.958 -3.791 774 H LEU 107 H LEU 107 10.039 -2.461 -4.504 775 HA LEU 107 HA LEU 107 10.462 -1.797 -1.761 776 HB2 LEU 107 HB2 LEU 107 12.153 -3.203 -3.844 777 HB3 LEU 107 HB3 LEU 107 12.797 -2.864 -2.249 778 HG LEU 107 HG LEU 107 10.959 -4.240 -1.241 779 HD11 LEU 107 HD11 LEU 107 9.631 -5.754 -2.615 780 HD12 LEU 107 HD12 LEU 107 10.286 -5.033 -4.087 781 HD13 LEU 107 HD13 LEU 107 9.270 -4.073 -3.010 782 HD21 LEU 107 HD21 LEU 107 12.704 -5.710 -3.248 783 HD22 LEU 107 HD22 LEU 107 11.937 -6.414 -1.821 784 HD23 LEU 107 HD23 LEU 107 13.192 -5.194 -1.631 785 H ARG 108 H ARG 108 10.775 0.315 -4.193 786 HA ARG 108 HA ARG 108 13.281 1.618 -3.414 787 HB2 ARG 108 HB2 ARG 108 11.124 2.390 -5.425 788 HB3 ARG 108 HB3 ARG 108 12.610 3.304 -5.166 789 HG2 ARG 108 HG2 ARG 108 13.948 1.387 -5.935 790 HG3 ARG 108 HG3 ARG 108 12.480 0.422 -6.128 791 HD2 ARG 108 HD2 ARG 108 13.299 1.307 -8.285 792 HD3 ARG 108 HD3 ARG 108 11.690 1.922 -7.896 793 HE ARG 108 HE ARG 108 13.557 3.779 -6.959 794 HH11 ARG 108 HH11 ARG 108 12.514 2.576 -10.038 795 HH12 ARG 108 HH12 ARG 108 12.896 4.054 -10.845 796 HH21 ARG 108 HH21 ARG 108 14.016 5.644 -8.017 797 HH22 ARG 108 HH22 ARG 108 13.728 5.771 -9.716 798 H TYR 109 H TYR 109 9.912 1.728 -2.750 799 HA TYR 109 HA TYR 109 10.078 4.233 -1.175 800 HB2 TYR 109 HB2 TYR 109 7.558 2.705 -1.968 801 HB3 TYR 109 HB3 TYR 109 7.664 4.354 -1.377 802 HD1 TYR 109 HD1 TYR 109 8.526 2.187 -4.321 803 HD2 TYR 109 HD2 TYR 109 7.787 6.171 -2.944 804 HE1 TYR 109 HE1 TYR 109 8.457 2.976 -6.647 805 HE2 TYR 109 HE2 TYR 109 7.734 6.960 -5.271 806 HH TYR 109 HH TYR 109 8.572 6.270 -7.481 807 H VAL 110 H VAL 110 8.717 0.920 -1.136 808 HA VAL 110 HA VAL 110 8.683 0.803 1.813 809 HB VAL 110 HB VAL 110 7.442 -1.329 1.548 810 HG11 VAL 110 HG11 VAL 110 5.393 -0.533 0.565 811 HG12 VAL 110 HG12 VAL 110 6.257 0.816 -0.203 812 HG13 VAL 110 HG13 VAL 110 6.145 0.714 1.560 813 HG21 VAL 110 HG21 VAL 110 6.645 -2.090 -0.636 814 HG22 VAL 110 HG22 VAL 110 8.409 -2.159 -0.535 815 HG23 VAL 110 HG23 VAL 110 7.621 -0.852 -1.424 816 H SER 111 H SER 111 9.181 -1.551 2.594 817 HA SER 111 HA SER 111 11.374 -2.863 1.084 818 HB2 SER 111 HB2 SER 111 11.939 -2.304 3.427 819 HB3 SER 111 HB3 SER 111 10.537 -3.200 4.000 820 HG SER 111 HG SER 111 12.977 -4.126 3.452 821 H LEU 112 H LEU 112 11.139 -5.162 0.800 822 HA LEU 112 HA LEU 112 8.629 -6.229 0.219 823 HB2 LEU 112 HB2 LEU 112 10.502 -7.277 -0.743 824 HB3 LEU 112 HB3 LEU 112 11.307 -7.447 0.783 825 HG LEU 112 HG LEU 112 8.809 -9.082 0.313 826 HD11 LEU 112 HD11 LEU 112 11.537 -9.876 -0.761 827 HD12 LEU 112 HD12 LEU 112 10.134 -9.430 -1.735 828 HD13 LEU 112 HD13 LEU 112 10.084 -10.885 -0.741 829 HD21 LEU 112 HD21 LEU 112 10.011 -10.753 1.720 830 HD22 LEU 112 HD22 LEU 112 9.804 -9.211 2.544 831 HD23 LEU 112 HD23 LEU 112 11.378 -9.638 1.857 832 H ALA 113 H ALA 113 10.407 -6.181 3.273 833 HA ALA 113 HA ALA 113 8.832 -8.007 4.768 834 HB1 ALA 113 HB1 ALA 113 10.418 -5.603 5.748 835 HB2 ALA 113 HB2 ALA 113 11.056 -7.226 5.484 836 HB3 ALA 113 HB3 ALA 113 9.856 -6.950 6.747 837 H ASP 114 H ASP 114 8.353 -4.537 4.040 838 HA ASP 114 HA ASP 114 6.170 -4.154 5.870 839 HB2 ASP 114 HB2 ASP 114 6.897 -2.549 3.383 840 HB3 ASP 114 HB3 ASP 114 5.836 -2.019 4.688 841 H LEU 115 H LEU 115 6.525 -5.206 2.526 842 HA LEU 115 HA LEU 115 3.801 -5.091 1.703 843 HB2 LEU 115 HB2 LEU 115 6.115 -6.786 0.683 844 HB3 LEU 115 HB3 LEU 115 4.570 -6.603 -0.141 845 HG LEU 115 HG LEU 115 6.495 -4.309 0.406 846 HD11 LEU 115 HD11 LEU 115 7.032 -4.349 -1.968 847 HD12 LEU 115 HD12 LEU 115 6.051 -5.808 -2.186 848 HD13 LEU 115 HD13 LEU 115 7.506 -5.857 -1.184 849 HD21 LEU 115 HD21 LEU 115 4.175 -3.591 0.220 850 HD22 LEU 115 HD22 LEU 115 4.018 -4.437 -1.323 851 HD23 LEU 115 HD23 LEU 115 5.118 -3.064 -1.173 852 H GLN 116 H GLN 116 5.879 -7.799 2.761 853 HA GLN 116 HA GLN 116 3.974 -9.862 2.399 854 HB2 GLN 116 HB2 GLN 116 6.515 -9.876 4.073 855 HB3 GLN 116 HB3 GLN 116 5.620 -11.300 3.577 856 HG2 GLN 116 HG2 GLN 116 6.091 -10.046 1.155 857 HG3 GLN 116 HG3 GLN 116 7.540 -9.660 2.062 858 HE21 GLN 116 HE21 GLN 116 7.269 -11.375 -0.284 859 HE22 GLN 116 HE22 GLN 116 7.883 -12.918 0.182 860 H ALA 117 H ALA 117 4.874 -7.936 5.193 861 HA ALA 117 HA ALA 117 3.521 -9.133 7.298 862 HB1 ALA 117 HB1 ALA 117 4.940 -7.128 7.498 863 HB2 ALA 117 HB2 ALA 117 3.378 -6.880 8.283 864 HB3 ALA 117 HB3 ALA 117 3.698 -6.163 6.698 865 H HIS 118 H HIS 118 2.089 -7.387 4.575 866 HA HIS 118 HA HIS 118 -0.643 -8.086 5.479 867 HB2 HIS 118 HB2 HIS 118 0.256 -5.363 4.448 868 HB3 HIS 118 HB3 HIS 118 -1.434 -5.835 4.577 869 HD1 HIS 118 HD1 HIS 118 -2.481 -5.853 6.915 870 HD2 HIS 118 HD2 HIS 118 1.548 -4.858 6.934 871 HE1 HIS 118 HE1 HIS 118 -2.023 -4.986 9.220 872 HE2 HIS 118 HE2 HIS 118 0.452 -4.573 9.258 873 H ALA 119 H ALA 119 1.174 -9.324 3.391 874 HA ALA 119 HA ALA 119 -0.566 -8.950 1.002 875 HB1 ALA 119 HB1 ALA 119 1.362 -9.198 -0.466 876 HB2 ALA 119 HB2 ALA 119 2.430 -9.400 0.928 877 HB3 ALA 119 HB3 ALA 119 1.619 -7.860 0.654 878 H LEU 120 H LEU 120 -0.420 -10.687 -0.608 879 HA LEU 120 HA LEU 120 -0.138 -13.397 0.563 880 HB2 LEU 120 HB2 LEU 120 -2.405 -12.541 -0.358 881 HB3 LEU 120 HB3 LEU 120 -1.709 -12.690 -1.950 882 HG LEU 120 HG LEU 120 -3.210 -14.587 -1.322 883 HD11 LEU 120 HD11 LEU 120 -0.355 -15.515 -1.733 884 HD12 LEU 120 HD12 LEU 120 -1.478 -15.014 -3.000 885 HD13 LEU 120 HD13 LEU 120 -1.823 -16.450 -2.041 886 HD21 LEU 120 HD21 LEU 120 -2.778 -14.641 1.084 887 HD22 LEU 120 HD22 LEU 120 -1.145 -15.250 0.797 888 HD23 LEU 120 HD23 LEU 120 -2.546 -16.234 0.363 889 HA PRO 121 HA PRO 121 3.677 -13.592 -1.902 890 HB2 PRO 121 HB2 PRO 121 3.347 -16.554 -1.462 891 HB3 PRO 121 HB3 PRO 121 4.743 -15.511 -1.149 892 HG2 PRO 121 HG2 PRO 121 3.230 -16.336 0.880 893 HG3 PRO 121 HG3 PRO 121 3.826 -14.662 0.846 894 HD2 PRO 121 HD2 PRO 121 1.069 -15.703 0.151 895 HD3 PRO 121 HD3 PRO 121 1.530 -14.267 1.092 896 H VAL 122 H VAL 122 4.609 -14.553 -3.805 897 HA VAL 122 HA VAL 122 2.623 -15.214 -5.892 898 HB VAL 122 HB VAL 122 3.895 -13.165 -6.318 899 HG11 VAL 122 HG11 VAL 122 6.347 -13.141 -6.657 900 HG12 VAL 122 HG12 VAL 122 6.429 -14.836 -6.170 901 HG13 VAL 122 HG13 VAL 122 5.917 -13.610 -5.009 902 HG21 VAL 122 HG21 VAL 122 4.788 -15.380 -8.209 903 HG22 VAL 122 HG22 VAL 122 4.801 -13.653 -8.575 904 HG23 VAL 122 HG23 VAL 122 3.268 -14.483 -8.300 905 H LEU 123 H LEU 123 2.782 -17.098 -7.109 906 HA LEU 123 HA LEU 123 4.677 -19.154 -6.349 907 HB2 LEU 123 HB2 LEU 123 2.346 -19.073 -8.287 908 HB3 LEU 123 HB3 LEU 123 3.454 -20.421 -8.261 909 HG LEU 123 HG LEU 123 1.488 -21.024 -6.991 910 HD11 LEU 123 HD11 LEU 123 3.778 -20.514 -5.072 911 HD12 LEU 123 HD12 LEU 123 3.607 -21.902 -6.149 912 HD13 LEU 123 HD13 LEU 123 2.453 -21.661 -4.841 913 HD21 LEU 123 HD21 LEU 123 0.721 -19.822 -4.999 914 HD22 LEU 123 HD22 LEU 123 0.662 -18.784 -6.421 915 HD23 LEU 123 HD23 LEU 123 1.962 -18.587 -5.243 916 H GLU 124 H GLU 124 6.491 -17.766 -6.942 917 HA GLU 124 HA GLU 124 7.583 -18.406 -9.578 918 HB2 GLU 124 HB2 GLU 124 6.393 -16.154 -9.751 919 HB3 GLU 124 HB3 GLU 124 7.510 -15.524 -8.554 920 HG2 GLU 124 HG2 GLU 124 8.150 -14.837 -10.812 921 HG3 GLU 124 HG3 GLU 124 9.388 -15.865 -10.087 922 H HIS 125 H HIS 125 7.918 -18.874 -6.546 923 HA HIS 125 HA HIS 125 10.359 -17.566 -5.738 924 HB2 HIS 125 HB2 HIS 125 8.447 -18.083 -4.176 925 HB3 HIS 125 HB3 HIS 125 8.829 -19.793 -4.326 926 HD1 HIS 125 HD1 HIS 125 11.283 -20.485 -3.384 927 HD2 HIS 125 HD2 HIS 125 9.850 -16.763 -2.207 928 HE1 HIS 125 HE1 HIS 125 12.662 -19.833 -1.393 929 HE2 HIS 125 HE2 HIS 125 11.721 -17.628 -0.643 930 H HIS 126 H HIS 126 11.910 -18.297 -7.222 931 HA HIS 126 HA HIS 126 13.292 -20.696 -6.381 932 HB2 HIS 126 HB2 HIS 126 13.612 -21.465 -8.844 933 HB3 HIS 126 HB3 HIS 126 12.080 -21.831 -8.068 934 HD1 HIS 126 HD1 HIS 126 10.246 -21.584 -9.685 935 HD2 HIS 126 HD2 HIS 126 13.177 -18.711 -10.334 936 HE1 HIS 126 HE1 HIS 126 9.430 -20.219 -11.623 937 HE2 HIS 126 HE2 HIS 126 11.111 -18.371 -11.853 938 H HIS 127 H HIS 127 15.486 -20.448 -6.485 939 HA HIS 127 HA HIS 127 16.576 -17.923 -7.494 940 HB2 HIS 127 HB2 HIS 127 17.107 -19.134 -5.173 941 HB3 HIS 127 HB3 HIS 127 18.271 -20.041 -6.130 942 HD1 HIS 127 HD1 HIS 127 20.518 -18.957 -6.318 943 HD2 HIS 127 HD2 HIS 127 17.560 -16.205 -5.374 944 HE1 HIS 127 HE1 HIS 127 21.724 -16.804 -5.910 945 HE2 HIS 127 HE2 HIS 127 19.939 -15.210 -5.165 946 H HIS 128 H HIS 128 18.592 -17.957 -8.835 947 HA HIS 128 HA HIS 128 18.077 -19.306 -11.260 948 HB2 HIS 128 HB2 HIS 128 19.107 -17.102 -11.218 949 HB3 HIS 128 HB3 HIS 128 20.510 -17.718 -10.357 950 HD1 HIS 128 HD1 HIS 128 22.406 -18.626 -11.745 951 HD2 HIS 128 HD2 HIS 128 18.987 -17.953 -14.005 952 HE1 HIS 128 HE1 HIS 128 23.111 -18.923 -14.129 953 HE2 HIS 128 HE2 HIS 128 21.013 -18.607 -15.471 954 H HIS 129 H HIS 129 20.470 -20.043 -8.724 955 HA HIS 129 HA HIS 129 21.932 -21.718 -8.332 956 HB2 HIS 129 HB2 HIS 129 20.281 -23.242 -10.384 957 HB3 HIS 129 HB3 HIS 129 21.596 -23.973 -9.473 958 HD1 HIS 129 HD1 HIS 129 21.211 -24.299 -6.895 959 HD2 HIS 129 HD2 HIS 129 17.877 -22.981 -8.994 960 HE1 HIS 129 HE1 HIS 129 19.265 -24.671 -5.359 961 HE2 HIS 129 HE2 HIS 129 17.249 -24.008 -6.705 962 H HIS 130 H HIS 130 23.557 -23.342 -9.577 963 HA HIS 130 HA HIS 130 24.489 -22.284 -12.150 964 HB2 HIS 130 HB2 HIS 130 25.675 -20.858 -10.513 965 HB3 HIS 130 HB3 HIS 130 26.281 -22.283 -9.677 966 HD1 HIS 130 HD1 HIS 130 28.594 -22.959 -10.348 967 HD2 HIS 130 HD2 HIS 130 26.705 -20.779 -13.339 968 HE1 HIS 130 HE1 HIS 130 30.316 -22.657 -12.148 969 HE2 HIS 130 HE2 HIS 130 29.099 -21.481 -14.010 Start of MODEL 6 1 H1 MET 1 H1 MET 1 12.194 -20.272 -27.634 2 H2 MET 1 H2 MET 1 12.646 -18.701 -28.073 3 H3 MET 1 H3 MET 1 11.234 -18.958 -27.182 4 HA MET 1 HA MET 1 13.038 -18.083 -25.837 5 HB2 MET 1 HB2 MET 1 12.813 -19.717 -23.969 6 HB3 MET 1 HB3 MET 1 11.276 -19.366 -24.744 7 HG2 MET 1 HG2 MET 1 12.928 -21.870 -25.197 8 HG3 MET 1 HG3 MET 1 11.498 -21.752 -24.171 9 HE1 MET 1 HE1 MET 1 10.342 -23.870 -27.350 10 HE2 MET 1 HE2 MET 1 10.478 -23.895 -25.592 11 HE3 MET 1 HE3 MET 1 11.934 -23.888 -26.592 12 H GLY 2 H GLY 2 15.203 -17.997 -25.452 13 HA2 GLY 2 HA2 GLY 2 17.046 -20.083 -25.311 14 HA3 GLY 2 HA3 GLY 2 17.032 -19.566 -26.995 15 H GLN 3 H GLN 3 19.272 -19.405 -25.204 16 HA GLN 3 HA GLN 3 20.170 -16.737 -25.581 17 HB2 GLN 3 HB2 GLN 3 18.629 -16.310 -23.673 18 HB3 GLN 3 HB3 GLN 3 19.481 -17.499 -22.700 19 HG2 GLN 3 HG2 GLN 3 21.450 -16.091 -22.596 20 HG3 GLN 3 HG3 GLN 3 20.760 -14.955 -23.754 21 HE21 GLN 3 HE21 GLN 3 19.152 -13.508 -23.044 22 HE22 GLN 3 HE22 GLN 3 18.839 -13.228 -21.368 23 H GLY 4 H GLY 4 22.409 -16.502 -25.123 24 HA2 GLY 4 HA2 GLY 4 23.924 -19.005 -24.860 25 HA3 GLY 4 HA3 GLY 4 24.529 -17.459 -25.427 26 H GLN 5 H GLN 5 26.301 -17.243 -24.122 27 HA GLN 5 HA GLN 5 26.150 -17.633 -21.230 28 HB2 GLN 5 HB2 GLN 5 28.139 -18.473 -22.356 29 HB3 GLN 5 HB3 GLN 5 28.435 -16.911 -23.110 30 HG2 GLN 5 HG2 GLN 5 30.018 -17.290 -21.299 31 HG3 GLN 5 HG3 GLN 5 28.965 -15.932 -20.918 32 HE21 GLN 5 HE21 GLN 5 29.347 -16.076 -18.699 33 HE22 GLN 5 HE22 GLN 5 28.762 -17.381 -17.728 34 H ASN 6 H ASN 6 26.231 -16.013 -19.710 35 HA ASN 6 HA ASN 6 26.007 -13.186 -20.611 36 HB2 ASN 6 HB2 ASN 6 24.372 -14.581 -18.437 37 HB3 ASN 6 HB3 ASN 6 24.270 -12.870 -18.846 38 HD21 ASN 6 HD21 ASN 6 23.471 -16.104 -19.862 39 HD22 ASN 6 HD22 ASN 6 22.348 -15.646 -21.079 40 H VAL 7 H VAL 7 26.165 -11.662 -18.663 41 HA VAL 7 HA VAL 7 28.452 -12.242 -16.944 42 HB VAL 7 HB VAL 7 28.418 -9.965 -16.308 43 HG11 VAL 7 HG11 VAL 7 27.146 -9.982 -19.064 44 HG12 VAL 7 HG12 VAL 7 28.870 -10.173 -18.716 45 HG13 VAL 7 HG13 VAL 7 28.065 -8.641 -18.366 46 HG21 VAL 7 HG21 VAL 7 26.125 -9.779 -15.417 47 HG22 VAL 7 HG22 VAL 7 25.463 -9.767 -17.050 48 HG23 VAL 7 HG23 VAL 7 26.458 -8.419 -16.494 49 H LEU 8 H LEU 8 25.164 -12.792 -16.871 50 HA LEU 8 HA LEU 8 24.355 -12.004 -14.276 51 HB2 LEU 8 HB2 LEU 8 23.025 -13.825 -16.288 52 HB3 LEU 8 HB3 LEU 8 22.254 -13.044 -14.925 53 HG LEU 8 HG LEU 8 23.503 -11.520 -17.231 54 HD11 LEU 8 HD11 LEU 8 20.593 -12.178 -16.756 55 HD12 LEU 8 HD12 LEU 8 21.626 -12.838 -18.025 56 HD13 LEU 8 HD13 LEU 8 21.226 -11.121 -18.022 57 HD21 LEU 8 HD21 LEU 8 21.699 -10.562 -14.973 58 HD22 LEU 8 HD22 LEU 8 22.283 -9.579 -16.321 59 HD23 LEU 8 HD23 LEU 8 23.424 -10.221 -15.144 60 H GLY 9 H GLY 9 25.942 -14.824 -15.387 61 HA2 GLY 9 HA2 GLY 9 24.982 -16.780 -13.503 62 HA3 GLY 9 HA3 GLY 9 26.417 -16.903 -14.504 63 H GLN 10 H GLN 10 25.215 -15.141 -11.715 64 HA GLN 10 HA GLN 10 27.446 -15.604 -9.975 65 HB2 GLN 10 HB2 GLN 10 28.130 -13.201 -9.760 66 HB3 GLN 10 HB3 GLN 10 28.553 -13.881 -11.323 67 HG2 GLN 10 HG2 GLN 10 26.641 -12.733 -12.356 68 HG3 GLN 10 HG3 GLN 10 26.145 -12.105 -10.787 69 HE21 GLN 10 HE21 GLN 10 26.279 -9.971 -11.536 70 HE22 GLN 10 HE22 GLN 10 27.789 -9.190 -11.830 71 H ASP 11 H ASP 11 24.689 -13.625 -10.839 72 HA ASP 11 HA ASP 11 22.826 -12.878 -9.865 73 HB2 ASP 11 HB2 ASP 11 23.410 -14.828 -7.607 74 HB3 ASP 11 HB3 ASP 11 21.853 -14.072 -7.947 75 H LEU 12 H LEU 12 24.630 -13.454 -6.858 76 HA LEU 12 HA LEU 12 25.351 -12.206 -5.154 77 HB2 LEU 12 HB2 LEU 12 26.060 -10.270 -7.380 78 HB3 LEU 12 HB3 LEU 12 26.666 -10.166 -5.740 79 HG LEU 12 HG LEU 12 27.250 -12.424 -7.700 80 HD11 LEU 12 HD11 LEU 12 28.429 -10.363 -8.289 81 HD12 LEU 12 HD12 LEU 12 29.556 -11.577 -7.693 82 HD13 LEU 12 HD13 LEU 12 29.076 -10.234 -6.650 83 HD21 LEU 12 HD21 LEU 12 28.823 -13.272 -5.986 84 HD22 LEU 12 HD22 LEU 12 27.156 -13.301 -5.418 85 HD23 LEU 12 HD23 LEU 12 28.255 -12.039 -4.855 86 H GLU 13 H GLU 13 24.115 -9.504 -7.143 87 HA GLU 13 HA GLU 13 23.012 -8.159 -4.826 88 HB2 GLU 13 HB2 GLU 13 22.948 -7.339 -7.758 89 HB3 GLU 13 HB3 GLU 13 22.662 -6.291 -6.371 90 HG2 GLU 13 HG2 GLU 13 25.294 -7.596 -7.162 91 HG3 GLU 13 HG3 GLU 13 24.879 -5.888 -7.291 92 H VAL 14 H VAL 14 21.546 -10.274 -4.785 93 HA VAL 14 HA VAL 14 19.079 -10.118 -6.288 94 HB VAL 14 HB VAL 14 19.984 -12.307 -5.568 95 HG11 VAL 14 HG11 VAL 14 21.068 -11.649 -3.460 96 HG12 VAL 14 HG12 VAL 14 19.998 -13.031 -3.205 97 HG13 VAL 14 HG13 VAL 14 19.490 -11.416 -2.701 98 HG21 VAL 14 HG21 VAL 14 17.926 -13.323 -4.653 99 HG22 VAL 14 HG22 VAL 14 17.544 -12.146 -5.910 100 HG23 VAL 14 HG23 VAL 14 17.321 -11.725 -4.211 101 H CYS 15 H CYS 15 17.010 -9.497 -5.436 102 HA CYS 15 HA CYS 15 16.857 -7.276 -3.734 103 HB2 CYS 15 HB2 CYS 15 14.644 -9.230 -4.475 104 HB3 CYS 15 HB3 CYS 15 14.379 -7.654 -3.728 105 HG CYS 15 HG CYS 15 15.487 -6.253 -5.937 106 H CYS 16 H CYS 16 16.490 -10.716 -3.009 107 HA CYS 16 HA CYS 16 16.729 -10.246 -0.123 108 HB2 CYS 16 HB2 CYS 16 14.322 -11.719 -1.276 109 HB3 CYS 16 HB3 CYS 16 14.730 -11.636 0.438 110 HG CYS 16 HG CYS 16 14.599 -8.651 0.119 111 H CYS 17 H CYS 17 17.490 -12.031 1.050 112 HA CYS 17 HA CYS 17 18.623 -14.289 -0.471 113 HB2 CYS 17 HB2 CYS 17 19.044 -13.394 2.417 114 HB3 CYS 17 HB3 CYS 17 19.867 -14.759 1.658 115 HG CYS 17 HG CYS 17 21.872 -13.134 1.350 116 H ALA 18 H ALA 18 15.752 -14.270 -0.143 117 HA ALA 18 HA ALA 18 15.254 -16.598 1.612 118 HB1 ALA 18 HB1 ALA 18 14.639 -14.568 2.871 119 HB2 ALA 18 HB2 ALA 18 13.206 -15.522 2.483 120 HB3 ALA 18 HB3 ALA 18 13.570 -14.061 1.558 121 HA PRO 19 HA PRO 19 13.330 -18.402 -2.001 122 HB2 PRO 19 HB2 PRO 19 11.440 -19.710 -0.051 123 HB3 PRO 19 HB3 PRO 19 12.454 -20.430 -1.306 124 HG2 PRO 19 HG2 PRO 19 13.213 -20.620 1.217 125 HG3 PRO 19 HG3 PRO 19 14.423 -20.210 -0.021 126 HD2 PRO 19 HD2 PRO 19 12.988 -18.363 1.904 127 HD3 PRO 19 HD3 PRO 19 14.719 -18.435 1.497 128 H MET 20 H MET 20 11.502 -16.054 -0.391 129 HA MET 20 HA MET 20 9.154 -16.359 -2.127 130 HB2 MET 20 HB2 MET 20 9.875 -13.989 -0.349 131 HB3 MET 20 HB3 MET 20 8.333 -14.257 -1.157 132 HG2 MET 20 HG2 MET 20 7.936 -14.881 1.068 133 HG3 MET 20 HG3 MET 20 8.181 -16.421 0.242 134 HE1 MET 20 HE1 MET 20 10.802 -13.675 1.515 135 HE2 MET 20 HE2 MET 20 11.227 -14.391 3.070 136 HE3 MET 20 HE3 MET 20 9.587 -13.809 2.789 137 H THR 21 H THR 21 12.117 -14.460 -2.003 138 HA THR 21 HA THR 21 11.923 -13.846 -4.854 139 HB THR 21 HB THR 21 12.448 -11.611 -2.818 140 HG1 THR 21 HG1 THR 21 10.145 -12.408 -3.581 141 HG21 THR 21 HG21 THR 21 12.450 -11.518 -5.867 142 HG22 THR 21 HG22 THR 21 13.865 -11.329 -4.825 143 HG23 THR 21 HG23 THR 21 12.586 -10.115 -4.803 144 H GLY 22 H GLY 22 13.606 -15.276 -5.192 145 HA2 GLY 22 HA2 GLY 22 16.303 -14.365 -4.717 146 HA3 GLY 22 HA3 GLY 22 15.884 -15.785 -3.766 147 H TRP 23 H TRP 23 17.212 -14.790 -6.634 148 HA TRP 23 HA TRP 23 18.035 -15.837 -8.464 149 HB2 TRP 23 HB2 TRP 23 17.237 -18.349 -6.950 150 HB3 TRP 23 HB3 TRP 23 18.077 -18.403 -8.492 151 HD1 TRP 23 HD1 TRP 23 20.624 -17.450 -8.522 152 HE1 TRP 23 HE1 TRP 23 22.404 -17.386 -6.681 153 HE3 TRP 23 HE3 TRP 23 17.595 -18.058 -4.441 154 HZ2 TRP 23 HZ2 TRP 23 22.531 -17.573 -3.873 155 HZ3 TRP 23 HZ3 TRP 23 18.630 -18.107 -2.204 156 HH2 TRP 23 HH2 TRP 23 21.051 -17.870 -1.926 157 H TYR 24 H TYR 24 14.963 -15.276 -8.183 158 HA TYR 24 HA TYR 24 13.391 -17.146 -9.481 159 HB2 TYR 24 HB2 TYR 24 12.548 -15.107 -8.312 160 HB3 TYR 24 HB3 TYR 24 13.086 -14.117 -9.666 161 HD1 TYR 24 HD2 TYR 24 10.866 -17.068 -8.922 162 HD2 TYR 24 HD1 TYR 24 11.502 -13.630 -11.390 163 HE1 TYR 24 HE2 TYR 24 8.709 -17.458 -10.021 164 HE2 TYR 24 HE1 TYR 24 9.337 -14.031 -12.497 165 HH TYR 24 HH TYR 24 6.986 -16.068 -11.273 166 H ARG 25 H ARG 25 15.336 -14.599 -10.987 167 HA ARG 25 HA ARG 25 15.123 -15.919 -13.629 168 HB2 ARG 25 HB2 ARG 25 13.718 -13.989 -13.872 169 HB3 ARG 25 HB3 ARG 25 14.826 -12.959 -12.984 170 HG2 ARG 25 HG2 ARG 25 14.816 -12.414 -15.374 171 HG3 ARG 25 HG3 ARG 25 16.395 -12.975 -14.843 172 HD2 ARG 25 HD2 ARG 25 15.632 -15.303 -15.744 173 HD3 ARG 25 HD3 ARG 25 14.387 -14.386 -16.602 174 HE ARG 25 HE ARG 25 16.795 -13.126 -17.146 175 HH11 ARG 25 HH11 ARG 25 15.409 -16.233 -17.806 176 HH12 ARG 25 HH12 ARG 25 16.454 -16.515 -19.152 177 HH21 ARG 25 HH21 ARG 25 18.119 -13.537 -18.848 178 HH22 ARG 25 HH22 ARG 25 17.962 -15.012 -19.736 179 H ASN 26 H ASN 26 16.997 -13.082 -12.444 180 HA ASN 26 HA ASN 26 19.428 -14.671 -12.196 181 HB2 ASN 26 HB2 ASN 26 20.779 -12.996 -13.599 182 HB3 ASN 26 HB3 ASN 26 19.758 -14.113 -14.490 183 HD21 ASN 26 HD21 ASN 26 20.059 -10.771 -13.420 184 HD22 ASN 26 HD22 ASN 26 19.013 -10.113 -14.620 185 H GLY 27 H GLY 27 19.620 -14.262 -10.064 186 HA2 GLY 27 HA2 GLY 27 19.848 -13.168 -8.059 187 HA3 GLY 27 HA3 GLY 27 20.324 -11.739 -8.967 188 H PHE 28 H PHE 28 18.891 -10.078 -9.156 189 HA PHE 28 HA PHE 28 16.439 -10.156 -7.601 190 HB2 PHE 28 HB2 PHE 28 16.339 -7.724 -8.024 191 HB3 PHE 28 HB3 PHE 28 17.909 -8.212 -7.401 192 HD1 PHE 28 HD1 PHE 28 19.927 -8.128 -8.905 193 HD2 PHE 28 HD2 PHE 28 16.106 -6.785 -10.293 194 HE1 PHE 28 HE1 PHE 28 21.008 -6.969 -10.785 195 HE2 PHE 28 HE2 PHE 28 17.200 -5.632 -12.172 196 HZ PHE 28 HZ PHE 28 19.651 -5.722 -12.421 197 H CYS 29 H CYS 29 14.429 -9.078 -8.504 198 HA CYS 29 HA CYS 29 13.747 -10.217 -11.137 199 HB2 CYS 29 HB2 CYS 29 11.898 -9.016 -9.042 200 HB3 CYS 29 HB3 CYS 29 11.409 -9.906 -10.483 201 HG CYS 29 HG CYS 29 12.596 -12.318 -9.571 202 H GLN 30 H GLN 30 14.599 -8.727 -12.604 203 HA GLN 30 HA GLN 30 14.175 -5.891 -12.435 204 HB2 GLN 30 HB2 GLN 30 16.112 -6.928 -13.670 205 HB3 GLN 30 HB3 GLN 30 14.985 -7.520 -14.886 206 HG2 GLN 30 HG2 GLN 30 14.352 -5.157 -15.400 207 HG3 GLN 30 HG3 GLN 30 15.556 -4.609 -14.235 208 HE21 GLN 30 HE21 GLN 30 16.693 -3.471 -15.817 209 HE22 GLN 30 HE22 GLN 30 17.632 -4.262 -17.032 210 H THR 31 H THR 31 12.034 -5.417 -12.288 211 HA THR 31 HA THR 31 9.958 -6.483 -13.965 212 HB THR 31 HB THR 31 9.262 -5.816 -11.788 213 HG1 THR 31 HG1 THR 31 8.174 -3.590 -13.038 214 HG21 THR 31 HG21 THR 31 10.330 -3.023 -12.333 215 HG22 THR 31 HG22 THR 31 11.044 -4.206 -11.234 216 HG23 THR 31 HG23 THR 31 9.453 -3.525 -10.884 217 H ASP 32 H ASP 32 11.741 -3.397 -13.960 218 HA ASP 32 HA ASP 32 10.750 -2.822 -16.704 219 HB2 ASP 32 HB2 ASP 32 11.919 -0.881 -14.659 220 HB3 ASP 32 HB3 ASP 32 11.351 -0.456 -16.267 221 H VAL 33 H VAL 33 12.271 -3.324 -18.241 222 HA VAL 33 HA VAL 33 15.034 -3.774 -17.727 223 HB VAL 33 HB VAL 33 15.311 -3.843 -20.224 224 HG11 VAL 33 HG11 VAL 33 14.628 -5.885 -19.014 225 HG12 VAL 33 HG12 VAL 33 13.888 -5.822 -20.614 226 HG13 VAL 33 HG13 VAL 33 12.928 -5.432 -19.185 227 HG21 VAL 33 HG21 VAL 33 13.321 -3.609 -21.690 228 HG22 VAL 33 HG22 VAL 33 13.677 -2.092 -20.860 229 HG23 VAL 33 HG23 VAL 33 12.349 -3.113 -20.302 230 H GLN 34 H GLN 34 13.299 -0.881 -18.485 231 HA GLN 34 HA GLN 34 15.692 0.746 -18.937 232 HB2 GLN 34 HB2 GLN 34 14.043 2.621 -19.194 233 HB3 GLN 34 HB3 GLN 34 13.760 1.281 -20.300 234 HG2 GLN 34 HG2 GLN 34 11.939 0.468 -18.780 235 HG3 GLN 34 HG3 GLN 34 12.181 1.898 -17.780 236 HE21 GLN 34 HE21 GLN 34 9.787 1.047 -19.246 237 HE22 GLN 34 HE22 GLN 34 9.399 2.348 -20.308 238 H ASP 35 H ASP 35 13.354 0.024 -16.399 239 HA ASP 35 HA ASP 35 12.801 0.863 -14.385 240 HB2 ASP 35 HB2 ASP 35 14.784 -0.273 -13.671 241 HB3 ASP 35 HB3 ASP 35 15.829 1.022 -14.242 242 H ARG 36 H ARG 36 11.606 2.610 -15.132 243 HA ARG 36 HA ARG 36 12.158 5.044 -13.871 244 HB2 ARG 36 HB2 ARG 36 12.370 6.633 -15.762 245 HB3 ARG 36 HB3 ARG 36 13.733 5.522 -15.697 246 HG2 ARG 36 HG2 ARG 36 12.721 4.188 -17.538 247 HG3 ARG 36 HG3 ARG 36 11.388 5.341 -17.628 248 HD2 ARG 36 HD2 ARG 36 13.005 7.134 -18.213 249 HD3 ARG 36 HD3 ARG 36 14.321 5.956 -18.136 250 HE ARG 36 HE ARG 36 12.083 5.683 -20.060 251 HH11 ARG 36 HH11 ARG 36 15.500 5.708 -19.467 252 HH12 ARG 36 HH12 ARG 36 15.889 5.368 -21.115 253 HH21 ARG 36 HH21 ARG 36 12.611 5.261 -22.139 254 HH22 ARG 36 HH22 ARG 36 14.268 5.123 -22.608 255 H GLY 37 H GLY 37 10.287 3.338 -16.332 256 HA2 GLY 37 HA2 GLY 37 8.412 5.269 -17.080 257 HA3 GLY 37 HA3 GLY 37 8.212 3.540 -17.253 258 H SER 38 H SER 38 7.725 6.280 -15.099 259 HA SER 38 HA SER 38 6.361 6.813 -13.398 260 HB2 SER 38 HB2 SER 38 4.500 4.724 -14.598 261 HB3 SER 38 HB3 SER 38 4.031 5.918 -13.379 262 HG SER 38 HG SER 38 3.688 7.200 -14.991 263 H HIS 39 H HIS 39 7.981 3.981 -13.298 264 HA HIS 39 HA HIS 39 8.399 2.247 -11.950 265 HB2 HIS 39 HB2 HIS 39 7.169 4.051 -9.835 266 HB3 HIS 39 HB3 HIS 39 7.958 2.520 -9.459 267 HD1 HIS 39 HD1 HIS 39 10.466 2.525 -9.296 268 HD2 HIS 39 HD2 HIS 39 8.991 6.068 -10.895 269 HE1 HIS 39 HE1 HIS 39 12.429 4.075 -9.426 270 HE2 HIS 39 HE2 HIS 39 11.501 6.239 -10.301 271 H THR 40 H THR 40 7.551 0.263 -11.366 272 HA THR 40 HA THR 40 4.686 -0.110 -11.949 273 HB THR 40 HB THR 40 5.303 -2.560 -12.061 274 HG1 THR 40 HG1 THR 40 7.150 -2.534 -10.766 275 HG21 THR 40 HG21 THR 40 5.251 -1.230 -14.132 276 HG22 THR 40 HG22 THR 40 6.530 -2.448 -14.178 277 HG23 THR 40 HG23 THR 40 6.936 -0.758 -13.873 278 H VAL 41 H VAL 41 3.554 0.299 -10.114 279 HA VAL 41 HA VAL 41 3.782 -1.708 -7.953 280 HB VAL 41 HB VAL 41 2.891 1.164 -7.400 281 HG11 VAL 41 HG11 VAL 41 3.073 0.505 -5.016 282 HG12 VAL 41 HG12 VAL 41 3.565 -1.121 -5.493 283 HG13 VAL 41 HG13 VAL 41 1.943 -0.542 -5.880 284 HG21 VAL 41 HG21 VAL 41 5.051 1.521 -6.207 285 HG22 VAL 41 HG22 VAL 41 5.271 1.289 -7.944 286 HG23 VAL 41 HG23 VAL 41 5.630 -0.028 -6.828 287 H CYS 42 H CYS 42 2.061 -2.970 -8.698 288 HA CYS 42 HA CYS 42 -0.619 -1.683 -8.772 289 HB2 CYS 42 HB2 CYS 42 0.190 -4.470 -9.713 290 HB3 CYS 42 HB3 CYS 42 -1.405 -3.738 -9.882 291 HG CYS 42 HG CYS 42 1.452 -3.031 -11.580 292 H ALA 43 H ALA 43 -1.379 -1.609 -6.762 293 HA ALA 43 HA ALA 43 -1.395 -3.967 -4.991 294 HB1 ALA 43 HB1 ALA 43 0.634 -2.684 -4.379 295 HB2 ALA 43 HB2 ALA 43 -0.566 -2.593 -3.090 296 HB3 ALA 43 HB3 ALA 43 -0.335 -1.221 -4.181 297 H GLU 44 H GLU 44 -3.225 -4.002 -3.617 298 HA GLU 44 HA GLU 44 -5.247 -1.910 -4.155 299 HB2 GLU 44 HB2 GLU 44 -5.780 -4.585 -2.791 300 HB3 GLU 44 HB3 GLU 44 -6.943 -3.487 -3.521 301 HG2 GLU 44 HG2 GLU 44 -6.869 -5.033 -5.197 302 HG3 GLU 44 HG3 GLU 44 -5.514 -4.035 -5.725 303 H MET 45 H MET 45 -4.979 -0.293 -2.668 304 HA MET 45 HA MET 45 -4.854 -0.902 0.203 305 HB2 MET 45 HB2 MET 45 -5.147 1.835 -1.154 306 HB3 MET 45 HB3 MET 45 -4.735 1.509 0.529 307 HG2 MET 45 HG2 MET 45 -2.588 0.588 -0.051 308 HG3 MET 45 HG3 MET 45 -2.969 0.621 -1.766 309 HE1 MET 45 HE1 MET 45 -2.434 4.444 0.733 310 HE2 MET 45 HE2 MET 45 -2.380 2.819 1.414 311 HE3 MET 45 HE3 MET 45 -3.893 3.454 0.766 312 H THR 46 H THR 46 -6.605 -0.649 1.622 313 HA THR 46 HA THR 46 -9.232 -0.939 0.410 314 HB THR 46 HB THR 46 -10.033 -1.452 2.710 315 HG1 THR 46 HG1 THR 46 -8.573 -1.428 4.435 316 HG21 THR 46 HG21 THR 46 -7.478 -2.951 2.009 317 HG22 THR 46 HG22 THR 46 -9.091 -3.315 1.391 318 HG23 THR 46 HG23 THR 46 -8.739 -3.517 3.109 319 H GLU 47 H GLU 47 -11.105 0.169 1.209 320 HA GLU 47 HA GLU 47 -10.956 2.971 1.106 321 HB2 GLU 47 HB2 GLU 47 -12.924 1.501 0.455 322 HB3 GLU 47 HB3 GLU 47 -13.295 1.336 2.165 323 HG2 GLU 47 HG2 GLU 47 -13.589 3.815 2.312 324 HG3 GLU 47 HG3 GLU 47 -13.282 3.920 0.577 325 H GLU 48 H GLU 48 -10.943 0.771 3.835 326 HA GLU 48 HA GLU 48 -11.490 2.352 6.011 327 HB2 GLU 48 HB2 GLU 48 -11.054 -0.053 6.137 328 HB3 GLU 48 HB3 GLU 48 -9.377 0.189 5.662 329 HG2 GLU 48 HG2 GLU 48 -9.475 -0.238 8.016 330 HG3 GLU 48 HG3 GLU 48 -8.976 1.426 7.751 331 H PHE 49 H PHE 49 -8.188 1.916 4.515 332 HA PHE 49 HA PHE 49 -7.044 4.034 6.108 333 HB2 PHE 49 HB2 PHE 49 -5.578 2.202 5.358 334 HB3 PHE 49 HB3 PHE 49 -5.850 2.644 3.672 335 HD1 PHE 49 HD2 PHE 49 -4.497 4.010 6.893 336 HD2 PHE 49 HD1 PHE 49 -4.412 4.270 2.636 337 HE1 PHE 49 HE2 PHE 49 -2.665 5.642 7.028 338 HE2 PHE 49 HE1 PHE 49 -2.586 5.915 2.775 339 HZ PHE 49 HZ PHE 49 -1.709 6.602 4.972 340 H LEU 50 H LEU 50 -8.360 3.854 2.805 341 HA LEU 50 HA LEU 50 -7.359 6.396 1.947 342 HB2 LEU 50 HB2 LEU 50 -9.357 4.439 0.828 343 HB3 LEU 50 HB3 LEU 50 -9.312 6.048 0.163 344 HG LEU 50 HG LEU 50 -6.944 5.788 -0.455 345 HD11 LEU 50 HD11 LEU 50 -6.243 4.197 1.266 346 HD12 LEU 50 HD12 LEU 50 -5.826 3.638 -0.349 347 HD13 LEU 50 HD13 LEU 50 -7.202 2.929 0.498 348 HD21 LEU 50 HD21 LEU 50 -8.668 5.290 -2.101 349 HD22 LEU 50 HD22 LEU 50 -8.763 3.620 -1.540 350 HD23 LEU 50 HD23 LEU 50 -7.289 4.210 -2.314 351 H LEU 51 H LEU 51 -10.269 5.504 3.692 352 HA LEU 51 HA LEU 51 -11.391 8.172 3.713 353 HB2 LEU 51 HB2 LEU 51 -12.015 5.692 5.351 354 HB3 LEU 51 HB3 LEU 51 -12.843 7.219 5.587 355 HG LEU 51 HG LEU 51 -12.908 5.544 3.050 356 HD11 LEU 51 HD11 LEU 51 -14.222 4.556 4.856 357 HD12 LEU 51 HD12 LEU 51 -15.278 5.181 3.592 358 HD13 LEU 51 HD13 LEU 51 -15.083 6.079 5.103 359 HD21 LEU 51 HD21 LEU 51 -13.003 7.941 2.500 360 HD22 LEU 51 HD22 LEU 51 -14.341 8.165 3.629 361 HD23 LEU 51 HD23 LEU 51 -14.553 7.159 2.193 362 H PHE 52 H PHE 52 -9.265 6.256 5.875 363 HA PHE 52 HA PHE 52 -8.948 8.186 7.931 364 HB2 PHE 52 HB2 PHE 52 -8.124 5.896 8.222 365 HB3 PHE 52 HB3 PHE 52 -6.988 6.086 6.892 366 HD1 PHE 52 HD1 PHE 52 -7.800 7.546 10.266 367 HD2 PHE 52 HD2 PHE 52 -4.750 6.704 7.382 368 HE1 PHE 52 HE1 PHE 52 -6.084 8.320 11.848 369 HE2 PHE 52 HE2 PHE 52 -3.041 7.476 8.975 370 HZ PHE 52 HZ PHE 52 -3.703 8.286 11.206 371 H SER 53 H SER 53 -7.530 7.954 4.717 372 HA SER 53 HA SER 53 -5.599 10.084 4.999 373 HB2 SER 53 HB2 SER 53 -6.798 8.867 2.468 374 HB3 SER 53 HB3 SER 53 -5.353 9.883 2.544 375 HG SER 53 HG SER 53 -5.550 7.464 3.999 376 H ARG 54 H ARG 54 -8.885 9.764 3.738 377 HA ARG 54 HA ARG 54 -9.119 12.351 2.548 378 HB2 ARG 54 HB2 ARG 54 -10.425 10.510 1.693 379 HB3 ARG 54 HB3 ARG 54 -11.116 10.176 3.277 380 HG2 ARG 54 HG2 ARG 54 -12.380 12.313 3.160 381 HG3 ARG 54 HG3 ARG 54 -11.706 12.611 1.554 382 HD2 ARG 54 HD2 ARG 54 -12.885 10.754 0.614 383 HD3 ARG 54 HD3 ARG 54 -13.310 10.116 2.210 384 HE ARG 54 HE ARG 54 -14.455 12.537 0.951 385 HH11 ARG 54 HH11 ARG 54 -14.669 10.079 3.388 386 HH12 ARG 54 HH12 ARG 54 -16.288 10.497 3.804 387 HH21 ARG 54 HH21 ARG 54 -16.509 13.061 1.531 388 HH22 ARG 54 HH22 ARG 54 -17.317 12.169 2.765 389 H ASP 55 H ASP 55 -10.723 10.988 5.449 390 HA ASP 55 HA ASP 55 -11.970 13.503 6.092 391 HB2 ASP 55 HB2 ASP 55 -12.036 10.818 7.525 392 HB3 ASP 55 HB3 ASP 55 -13.070 12.198 7.904 393 H ARG 56 H ARG 56 -9.006 11.983 7.124 394 HA ARG 56 HA ARG 56 -8.762 13.557 9.566 395 HB2 ARG 56 HB2 ARG 56 -7.656 11.313 9.271 396 HB3 ARG 56 HB3 ARG 56 -6.588 12.031 8.076 397 HG2 ARG 56 HG2 ARG 56 -5.401 11.878 10.163 398 HG3 ARG 56 HG3 ARG 56 -5.716 13.582 9.835 399 HD2 ARG 56 HD2 ARG 56 -7.696 13.434 11.401 400 HD3 ARG 56 HD3 ARG 56 -7.190 11.786 11.799 401 HE ARG 56 HE ARG 56 -5.314 14.025 12.211 402 HH11 ARG 56 HH11 ARG 56 -7.210 11.489 13.617 403 HH12 ARG 56 HH12 ARG 56 -6.550 11.740 15.192 404 HH21 ARG 56 HH21 ARG 56 -4.515 14.324 14.248 405 HH22 ARG 56 HH22 ARG 56 -5.054 13.316 15.542 406 H GLY 57 H GLY 57 -7.592 13.747 6.217 407 HA2 GLY 57 HA2 GLY 57 -6.049 16.180 6.607 408 HA3 GLY 57 HA3 GLY 57 -6.391 15.380 5.081 409 H ASN 58 H ASN 58 -8.626 15.590 4.249 410 HA ASN 58 HA ASN 58 -10.537 17.465 5.172 411 HB2 ASN 58 HB2 ASN 58 -8.891 19.162 4.371 412 HB3 ASN 58 HB3 ASN 58 -8.877 18.421 2.774 413 HD21 ASN 58 HD21 ASN 58 -10.689 18.707 1.418 414 HD22 ASN 58 HD22 ASN 58 -11.886 19.909 1.729 415 H ASP 59 H ASP 59 -9.244 16.437 2.003 416 HA ASP 59 HA ASP 59 -11.398 14.491 1.661 417 HB2 ASP 59 HB2 ASP 59 -12.069 15.258 -0.525 418 HB3 ASP 59 HB3 ASP 59 -12.186 16.635 0.559 419 H LEU 60 H LEU 60 -10.945 13.323 -0.556 420 HA LEU 60 HA LEU 60 -8.230 13.205 -1.535 421 HB2 LEU 60 HB2 LEU 60 -8.014 11.705 0.441 422 HB3 LEU 60 HB3 LEU 60 -9.396 10.770 -0.102 423 HG LEU 60 HG LEU 60 -8.070 10.105 -2.156 424 HD11 LEU 60 HD11 LEU 60 -6.479 11.950 -2.233 425 HD12 LEU 60 HD12 LEU 60 -5.640 10.403 -2.182 426 HD13 LEU 60 HD13 LEU 60 -5.733 11.402 -0.729 427 HD21 LEU 60 HD21 LEU 60 -8.263 8.581 -0.243 428 HD22 LEU 60 HD22 LEU 60 -6.827 9.298 0.491 429 HD23 LEU 60 HD23 LEU 60 -6.695 8.418 -1.033 430 H MET 61 H MET 61 -11.152 11.193 -1.283 431 HA MET 61 HA MET 61 -11.515 10.941 -4.150 432 HB2 MET 61 HB2 MET 61 -13.425 10.274 -1.853 433 HB3 MET 61 HB3 MET 61 -13.596 9.752 -3.526 434 HG2 MET 61 HG2 MET 61 -11.631 8.339 -3.332 435 HG3 MET 61 HG3 MET 61 -11.299 8.959 -1.712 436 HE1 MET 61 HE1 MET 61 -12.413 5.246 -0.973 437 HE2 MET 61 HE2 MET 61 -11.167 6.460 -0.688 438 HE3 MET 61 HE3 MET 61 -11.425 5.823 -2.315 439 H THR 62 H THR 62 -11.598 13.136 -4.828 440 HA THR 62 HA THR 62 -13.032 15.239 -3.640 441 HB THR 62 HB THR 62 -12.140 14.925 -6.541 442 HG1 THR 62 HG1 THR 62 -10.891 15.977 -4.203 443 HG21 THR 62 HG21 THR 62 -12.216 17.407 -6.674 444 HG22 THR 62 HG22 THR 62 -12.930 17.469 -5.061 445 HG23 THR 62 HG23 THR 62 -13.823 16.730 -6.394 446 HA PRO 63 HA PRO 63 -17.274 14.118 -4.938 447 HB2 PRO 63 HB2 PRO 63 -18.013 16.815 -3.869 448 HB3 PRO 63 HB3 PRO 63 -18.590 15.216 -3.381 449 HG2 PRO 63 HG2 PRO 63 -16.926 16.623 -1.807 450 HG3 PRO 63 HG3 PRO 63 -16.786 14.856 -1.933 451 HD2 PRO 63 HD2 PRO 63 -15.134 16.987 -3.316 452 HD3 PRO 63 HD3 PRO 63 -14.596 15.507 -2.481 453 H ARG 64 H ARG 64 -16.688 14.267 -7.183 454 HA ARG 64 HA ARG 64 -17.011 16.790 -8.624 455 HB2 ARG 64 HB2 ARG 64 -16.404 13.951 -9.570 456 HB3 ARG 64 HB3 ARG 64 -16.544 15.334 -10.655 457 HG2 ARG 64 HG2 ARG 64 -14.628 16.419 -9.523 458 HG3 ARG 64 HG3 ARG 64 -14.478 15.027 -8.442 459 HD2 ARG 64 HD2 ARG 64 -13.939 13.573 -10.334 460 HD3 ARG 64 HD3 ARG 64 -14.225 14.895 -11.474 461 HE ARG 64 HE ARG 64 -12.176 15.452 -9.507 462 HH11 ARG 64 HH11 ARG 64 -12.757 14.110 -12.653 463 HH12 ARG 64 HH12 ARG 64 -11.112 14.309 -13.143 464 HH21 ARG 64 HH21 ARG 64 -10.083 15.688 -10.184 465 HH22 ARG 64 HH22 ARG 64 -9.629 15.205 -11.780 466 HA PRO 65 HA PRO 65 -21.403 15.967 -9.503 467 HB2 PRO 65 HB2 PRO 65 -21.910 17.954 -11.266 468 HB3 PRO 65 HB3 PRO 65 -21.553 18.302 -9.566 469 HG2 PRO 65 HG2 PRO 65 -19.678 18.383 -11.943 470 HG3 PRO 65 HG3 PRO 65 -19.917 19.611 -10.680 471 HD2 PRO 65 HD2 PRO 65 -17.863 17.814 -10.591 472 HD3 PRO 65 HD3 PRO 65 -18.636 18.443 -9.118 473 H GLU 66 H GLU 66 -18.935 15.074 -11.483 474 HA GLU 66 HA GLU 66 -20.648 13.435 -13.149 475 HB2 GLU 66 HB2 GLU 66 -20.184 15.752 -14.334 476 HB3 GLU 66 HB3 GLU 66 -18.575 15.120 -14.614 477 HG2 GLU 66 HG2 GLU 66 -21.161 13.875 -15.609 478 HG3 GLU 66 HG3 GLU 66 -20.098 14.903 -16.561 479 H PHE 67 H PHE 67 -19.531 11.569 -13.900 480 HA PHE 67 HA PHE 67 -17.012 11.000 -12.452 481 HB2 PHE 67 HB2 PHE 67 -19.145 9.055 -13.448 482 HB3 PHE 67 HB3 PHE 67 -17.717 8.627 -12.507 483 HD1 PHE 67 HD1 PHE 67 -17.486 9.636 -10.137 484 HD2 PHE 67 HD2 PHE 67 -21.169 9.685 -12.322 485 HE1 PHE 67 HE1 PHE 67 -18.725 10.049 -8.056 486 HE2 PHE 67 HE2 PHE 67 -22.400 10.094 -10.227 487 HZ PHE 67 HZ PHE 67 -21.177 10.282 -8.095 488 H ASN 68 H ASN 68 -15.646 11.830 -14.064 489 HA ASN 68 HA ASN 68 -15.656 10.740 -16.761 490 HB2 ASN 68 HB2 ASN 68 -13.727 12.272 -17.158 491 HB3 ASN 68 HB3 ASN 68 -15.148 13.096 -16.537 492 HD21 ASN 68 HD21 ASN 68 -12.417 14.003 -16.507 493 HD22 ASN 68 HD22 ASN 68 -11.988 14.265 -14.859 494 H PHE 69 H PHE 69 -13.249 10.689 -14.068 495 HA PHE 69 HA PHE 69 -11.670 8.642 -15.477 496 HB2 PHE 69 HB2 PHE 69 -10.441 10.576 -14.609 497 HB3 PHE 69 HB3 PHE 69 -11.067 10.299 -12.988 498 HD1 PHE 69 HD2 PHE 69 -9.012 8.602 -15.655 499 HD2 PHE 69 HD1 PHE 69 -9.731 9.061 -11.459 500 HE1 PHE 69 HE2 PHE 69 -7.041 7.216 -15.156 501 HE2 PHE 69 HE1 PHE 69 -7.757 7.676 -10.973 502 HZ PHE 69 HZ PHE 69 -6.411 6.752 -12.820 503 HA PRO 70 HA PRO 70 -13.396 5.550 -12.522 504 HB2 PRO 70 HB2 PRO 70 -12.245 3.522 -14.344 505 HB3 PRO 70 HB3 PRO 70 -13.937 3.799 -13.916 506 HG2 PRO 70 HG2 PRO 70 -12.971 4.347 -16.396 507 HG3 PRO 70 HG3 PRO 70 -14.276 5.302 -15.661 508 HD2 PRO 70 HD2 PRO 70 -11.316 5.948 -15.806 509 HD3 PRO 70 HD3 PRO 70 -12.716 6.994 -16.160 510 H GLY 71 H GLY 71 -10.404 4.389 -14.148 511 HA2 GLY 71 HA2 GLY 71 -8.360 3.693 -13.394 512 HA3 GLY 71 HA3 GLY 71 -8.438 5.074 -12.324 513 H LEU 72 H LEU 72 -8.545 4.715 -10.174 514 HA LEU 72 HA LEU 72 -9.711 2.290 -9.078 515 HB2 LEU 72 HB2 LEU 72 -7.845 1.539 -7.794 516 HB3 LEU 72 HB3 LEU 72 -7.275 1.709 -9.442 517 HG LEU 72 HG LEU 72 -6.735 3.773 -7.266 518 HD11 LEU 72 HD11 LEU 72 -4.477 2.850 -7.069 519 HD12 LEU 72 HD12 LEU 72 -4.890 1.550 -8.190 520 HD13 LEU 72 HD13 LEU 72 -5.694 1.656 -6.621 521 HD21 LEU 72 HD21 LEU 72 -5.001 4.620 -8.793 522 HD22 LEU 72 HD22 LEU 72 -6.593 4.681 -9.545 523 HD23 LEU 72 HD23 LEU 72 -5.453 3.410 -9.998 524 H LYS 73 H LYS 73 -10.688 2.634 -7.160 525 HA LYS 73 HA LYS 73 -9.673 4.591 -5.277 526 HB2 LYS 73 HB2 LYS 73 -12.251 5.319 -4.911 527 HB3 LYS 73 HB3 LYS 73 -11.153 6.199 -5.949 528 HG2 LYS 73 HG2 LYS 73 -13.229 6.024 -7.116 529 HG3 LYS 73 HG3 LYS 73 -12.097 4.938 -7.925 530 HD2 LYS 73 HD2 LYS 73 -13.112 3.039 -6.609 531 HD3 LYS 73 HD3 LYS 73 -14.319 4.171 -5.994 532 HE2 LYS 73 HE2 LYS 73 -15.132 4.554 -8.287 533 HE3 LYS 73 HE3 LYS 73 -13.893 3.462 -8.922 534 HZ1 LYS 73 HZ1 LYS 73 -15.951 2.299 -8.725 535 HZ2 LYS 73 HZ2 LYS 73 -16.129 2.753 -7.107 536 HZ3 LYS 73 HZ3 LYS 73 -14.889 1.690 -7.556 537 H ALA 74 H ALA 74 -9.051 2.857 -4.141 538 HA ALA 74 HA ALA 74 -9.051 1.371 -2.459 539 HB1 ALA 74 HB1 ALA 74 -10.691 2.819 -1.361 540 HB2 ALA 74 HB2 ALA 74 -10.967 1.121 -0.969 541 HB3 ALA 74 HB3 ALA 74 -12.005 1.940 -2.141 542 H GLY 75 H GLY 75 -8.864 -0.783 -2.510 543 HA2 GLY 75 HA2 GLY 75 -9.440 -3.017 -2.746 544 HA3 GLY 75 HA3 GLY 75 -10.970 -2.542 -3.453 545 H ASP 76 H ASP 76 -8.846 -0.879 -5.292 546 HA ASP 76 HA ASP 76 -8.567 -3.044 -7.296 547 HB2 ASP 76 HB2 ASP 76 -10.185 -1.191 -7.850 548 HB3 ASP 76 HB3 ASP 76 -8.850 -0.051 -7.802 549 H ARG 77 H ARG 77 -6.663 -3.124 -8.574 550 HA ARG 77 HA ARG 77 -4.272 -1.851 -7.346 551 HB2 ARG 77 HB2 ARG 77 -3.014 -3.871 -8.205 552 HB3 ARG 77 HB3 ARG 77 -4.222 -4.234 -6.984 553 HG2 ARG 77 HG2 ARG 77 -5.774 -5.036 -8.723 554 HG3 ARG 77 HG3 ARG 77 -4.593 -4.633 -9.965 555 HD2 ARG 77 HD2 ARG 77 -3.021 -6.288 -8.756 556 HD3 ARG 77 HD3 ARG 77 -4.475 -6.844 -7.908 557 HE ARG 77 HE ARG 77 -4.823 -6.733 -10.750 558 HH11 ARG 77 HH11 ARG 77 -3.710 -8.823 -8.221 559 HH12 ARG 77 HH12 ARG 77 -3.754 -10.216 -9.241 560 HH21 ARG 77 HH21 ARG 77 -4.848 -8.508 -12.001 561 HH22 ARG 77 HH22 ARG 77 -4.387 -10.038 -11.345 562 H TRP 78 H TRP 78 -3.874 -0.067 -8.648 563 HA TRP 78 HA TRP 78 -2.761 -0.560 -11.274 564 HB2 TRP 78 HB2 TRP 78 -5.161 -0.452 -11.887 565 HB3 TRP 78 HB3 TRP 78 -5.303 1.127 -11.119 566 HD1 TRP 78 HD1 TRP 78 -5.323 3.018 -12.915 567 HE1 TRP 78 HE1 TRP 78 -4.190 3.420 -15.183 568 HE3 TRP 78 HE3 TRP 78 -2.650 -1.347 -13.313 569 HZ2 TRP 78 HZ2 TRP 78 -2.422 2.095 -16.920 570 HZ3 TRP 78 HZ3 TRP 78 -1.259 -1.692 -15.314 571 HH2 TRP 78 HH2 TRP 78 -1.149 -0.004 -17.082 572 H CYS 79 H CYS 79 -0.969 0.640 -11.253 573 HA CYS 79 HA CYS 79 0.546 2.332 -10.971 574 HB2 CYS 79 HB2 CYS 79 -0.944 3.280 -12.733 575 HB3 CYS 79 HB3 CYS 79 -1.903 4.071 -11.488 576 HG CYS 79 HG CYS 79 1.048 5.120 -10.883 577 H LEU 80 H LEU 80 -0.673 1.376 -8.525 578 HA LEU 80 HA LEU 80 -1.625 3.440 -6.832 579 HB2 LEU 80 HB2 LEU 80 -2.235 1.027 -6.565 580 HB3 LEU 80 HB3 LEU 80 -0.592 0.644 -6.115 581 HG LEU 80 HG LEU 80 -2.362 0.759 -4.247 582 HD11 LEU 80 HD11 LEU 80 0.154 2.381 -3.797 583 HD12 LEU 80 HD12 LEU 80 0.022 0.624 -3.716 584 HD13 LEU 80 HD13 LEU 80 -0.847 1.623 -2.556 585 HD21 LEU 80 HD21 LEU 80 -2.891 2.943 -3.293 586 HD22 LEU 80 HD22 LEU 80 -3.473 2.821 -4.950 587 HD23 LEU 80 HD23 LEU 80 -2.014 3.750 -4.597 588 H CYS 81 H CYS 81 -0.518 4.927 -5.671 589 HA CYS 81 HA CYS 81 2.301 5.225 -5.729 590 HB2 CYS 81 HB2 CYS 81 0.859 7.167 -5.421 591 HB3 CYS 81 HB3 CYS 81 0.241 6.517 -3.903 592 HG CYS 81 HG CYS 81 1.848 8.131 -2.684 593 H ALA 82 H ALA 82 3.495 3.587 -4.898 594 HA ALA 82 HA ALA 82 3.000 1.968 -2.686 595 HB1 ALA 82 HB1 ALA 82 5.715 2.712 -3.813 596 HB2 ALA 82 HB2 ALA 82 4.676 1.417 -4.399 597 HB3 ALA 82 HB3 ALA 82 5.371 1.321 -2.782 598 H SER 83 H SER 83 4.374 5.223 -2.712 599 HA SER 83 HA SER 83 5.365 5.353 -0.073 600 HB2 SER 83 HB2 SER 83 4.051 7.559 -1.713 601 HB3 SER 83 HB3 SER 83 4.988 7.814 -0.235 602 HG SER 83 HG SER 83 6.727 7.704 -1.382 603 H ARG 84 H ARG 84 2.031 6.046 -1.304 604 HA ARG 84 HA ARG 84 0.860 6.761 1.173 605 HB2 ARG 84 HB2 ARG 84 -0.381 5.568 -1.331 606 HB3 ARG 84 HB3 ARG 84 -1.347 6.064 0.056 607 HG2 ARG 84 HG2 ARG 84 0.370 7.855 -1.699 608 HG3 ARG 84 HG3 ARG 84 -1.397 7.798 -1.638 609 HD2 ARG 84 HD2 ARG 84 0.491 8.750 0.546 610 HD3 ARG 84 HD3 ARG 84 -0.629 9.737 -0.397 611 HE ARG 84 HE ARG 84 -2.261 7.941 0.836 612 HH11 ARG 84 HH11 ARG 84 0.097 10.165 2.050 613 HH12 ARG 84 HH12 ARG 84 -0.684 10.306 3.583 614 HH21 ARG 84 HH21 ARG 84 -3.244 8.179 2.816 615 HH22 ARG 84 HH22 ARG 84 -2.535 9.216 4.000 616 H TRP 85 H TRP 85 1.212 3.583 -0.358 617 HA TRP 85 HA TRP 85 -0.151 2.065 1.633 618 HB2 TRP 85 HB2 TRP 85 0.048 0.880 -0.358 619 HB3 TRP 85 HB3 TRP 85 1.700 1.426 -0.655 620 HD1 TRP 85 HD1 TRP 85 3.284 -0.530 -0.538 621 HE1 TRP 85 HE1 TRP 85 3.641 -2.540 1.008 622 HE3 TRP 85 HE3 TRP 85 -0.881 -0.116 2.384 623 HZ2 TRP 85 HZ2 TRP 85 2.348 -3.827 3.127 624 HZ3 TRP 85 HZ3 TRP 85 -1.257 -1.792 4.135 625 HH2 TRP 85 HH2 TRP 85 0.328 -3.608 4.492 626 H GLN 86 H GLN 86 3.384 2.568 1.089 627 HA GLN 86 HA GLN 86 4.499 1.433 3.288 628 HB2 GLN 86 HB2 GLN 86 5.740 2.480 1.427 629 HB3 GLN 86 HB3 GLN 86 5.362 4.075 2.049 630 HG2 GLN 86 HG2 GLN 86 7.693 3.125 2.527 631 HG3 GLN 86 HG3 GLN 86 6.823 3.847 3.896 632 HE21 GLN 86 HE21 GLN 86 7.659 2.694 5.559 633 HE22 GLN 86 HE22 GLN 86 7.651 0.972 5.688 634 H GLU 87 H GLU 87 3.267 4.784 3.200 635 HA GLU 87 HA GLU 87 3.847 5.523 5.836 636 HB2 GLU 87 HB2 GLU 87 1.990 6.585 3.712 637 HB3 GLU 87 HB3 GLU 87 1.701 7.129 5.354 638 HG2 GLU 87 HG2 GLU 87 3.030 8.781 4.327 639 HG3 GLU 87 HG3 GLU 87 4.070 7.931 5.461 640 H ALA 88 H ALA 88 1.026 3.845 4.483 641 HA ALA 88 HA ALA 88 -0.674 3.874 6.752 642 HB1 ALA 88 HB1 ALA 88 -1.844 2.018 5.701 643 HB2 ALA 88 HB2 ALA 88 -0.480 1.742 4.606 644 HB3 ALA 88 HB3 ALA 88 -1.419 3.234 4.493 645 H PHE 89 H PHE 89 1.929 1.607 5.824 646 HA PHE 89 HA PHE 89 1.636 -0.252 7.931 647 HB2 PHE 89 HB2 PHE 89 3.088 -0.666 5.961 648 HB3 PHE 89 HB3 PHE 89 4.202 0.583 6.507 649 HD1 PHE 89 HD2 PHE 89 2.969 -2.846 7.138 650 HD2 PHE 89 HD1 PHE 89 5.737 0.168 8.396 651 HE1 PHE 89 HE2 PHE 89 4.178 -4.497 8.491 652 HE2 PHE 89 HE1 PHE 89 6.933 -1.500 9.747 653 HZ PHE 89 HZ PHE 89 6.155 -3.835 9.795 654 H GLU 90 H GLU 90 3.692 2.634 7.704 655 HA GLU 90 HA GLU 90 4.763 2.464 10.351 656 HB2 GLU 90 HB2 GLU 90 4.721 4.754 8.349 657 HB3 GLU 90 HB3 GLU 90 5.717 4.705 9.803 658 HG2 GLU 90 HG2 GLU 90 6.895 2.708 8.922 659 HG3 GLU 90 HG3 GLU 90 5.901 2.769 7.462 660 H ALA 91 H ALA 91 1.824 3.829 9.095 661 HA ALA 91 HA ALA 91 1.236 5.476 11.447 662 HB1 ALA 91 HB1 ALA 91 0.499 6.215 9.203 663 HB2 ALA 91 HB2 ALA 91 -0.871 6.002 10.293 664 HB3 ALA 91 HB3 ALA 91 -0.524 4.782 9.062 665 H GLY 92 H GLY 92 0.975 2.179 10.695 666 HA2 GLY 92 HA2 GLY 92 0.031 0.398 11.824 667 HA3 GLY 92 HA3 GLY 92 -0.616 1.522 13.007 668 H MET 93 H MET 93 -1.494 2.321 9.820 669 HA MET 93 HA MET 93 -4.214 1.147 10.097 670 HB2 MET 93 HB2 MET 93 -3.322 3.720 8.719 671 HB3 MET 93 HB3 MET 93 -4.975 3.112 8.747 672 HG2 MET 93 HG2 MET 93 -3.382 3.928 11.182 673 HG3 MET 93 HG3 MET 93 -4.580 4.937 10.368 674 HE1 MET 93 HE1 MET 93 -7.211 4.377 10.320 675 HE2 MET 93 HE2 MET 93 -7.909 2.940 11.069 676 HE3 MET 93 HE3 MET 93 -6.883 2.778 9.645 677 H ALA 94 H ALA 94 -1.804 -0.025 8.851 678 HA ALA 94 HA ALA 94 -1.867 0.044 6.040 679 HB1 ALA 94 HB1 ALA 94 -0.776 -2.118 7.846 680 HB2 ALA 94 HB2 ALA 94 0.074 -0.663 7.340 681 HB3 ALA 94 HB3 ALA 94 -0.371 -1.876 6.145 682 HA PRO 95 HA PRO 95 -5.376 -2.878 5.205 683 HB2 PRO 95 HB2 PRO 95 -5.228 -2.537 2.468 684 HB3 PRO 95 HB3 PRO 95 -6.084 -1.417 3.534 685 HG2 PRO 95 HG2 PRO 95 -3.276 -1.205 2.434 686 HG3 PRO 95 HG3 PRO 95 -4.563 0.024 2.447 687 HD2 PRO 95 HD2 PRO 95 -2.622 0.076 4.287 688 HD3 PRO 95 HD3 PRO 95 -4.300 0.459 4.741 689 HA PRO 96 HA PRO 96 -2.899 -6.441 3.568 690 HB2 PRO 96 HB2 PRO 96 -4.656 -7.740 1.904 691 HB3 PRO 96 HB3 PRO 96 -4.758 -7.834 3.670 692 HG2 PRO 96 HG2 PRO 96 -6.295 -6.039 1.782 693 HG3 PRO 96 HG3 PRO 96 -6.913 -7.025 3.126 694 HD2 PRO 96 HD2 PRO 96 -6.478 -4.374 3.420 695 HD3 PRO 96 HD3 PRO 96 -6.158 -5.504 4.756 696 H VAL 97 H VAL 97 -1.524 -6.771 1.852 697 HA VAL 97 HA VAL 97 -2.089 -5.553 -0.787 698 HB VAL 97 HB VAL 97 -0.455 -4.103 0.442 699 HG11 VAL 97 HG11 VAL 97 1.369 -6.533 0.466 700 HG12 VAL 97 HG12 VAL 97 0.582 -5.813 1.876 701 HG13 VAL 97 HG13 VAL 97 1.801 -4.897 0.985 702 HG21 VAL 97 HG21 VAL 97 0.827 -5.567 -1.906 703 HG22 VAL 97 HG22 VAL 97 1.299 -3.976 -1.298 704 HG23 VAL 97 HG23 VAL 97 -0.295 -4.205 -2.021 705 H VAL 98 H VAL 98 -1.188 -6.765 -2.588 706 HA VAL 98 HA VAL 98 -0.589 -9.574 -2.039 707 HB VAL 98 HB VAL 98 -0.604 -9.907 -4.477 708 HG11 VAL 98 HG11 VAL 98 -2.957 -8.189 -3.594 709 HG12 VAL 98 HG12 VAL 98 -2.780 -9.923 -3.319 710 HG13 VAL 98 HG13 VAL 98 -2.944 -9.307 -4.964 711 HG21 VAL 98 HG21 VAL 98 0.457 -7.818 -5.202 712 HG22 VAL 98 HG22 VAL 98 -0.968 -6.896 -4.716 713 HG23 VAL 98 HG23 VAL 98 -1.074 -8.052 -6.048 714 H LEU 99 H LEU 99 1.305 -10.653 -3.045 715 HA LEU 99 HA LEU 99 3.746 -8.973 -3.267 716 HB2 LEU 99 HB2 LEU 99 3.363 -11.951 -2.751 717 HB3 LEU 99 HB3 LEU 99 4.933 -11.244 -3.105 718 HG LEU 99 HG LEU 99 3.223 -10.505 -0.689 719 HD11 LEU 99 HD11 LEU 99 4.840 -11.777 0.640 720 HD12 LEU 99 HD12 LEU 99 5.665 -12.302 -0.831 721 HD13 LEU 99 HD13 LEU 99 4.005 -12.813 -0.517 722 HD21 LEU 99 HD21 LEU 99 6.082 -9.742 -1.399 723 HD22 LEU 99 HD22 LEU 99 5.262 -9.369 0.121 724 HD23 LEU 99 HD23 LEU 99 4.681 -8.666 -1.386 725 H GLN 100 H GLN 100 1.568 -11.026 -5.032 726 HA GLN 100 HA GLN 100 3.342 -11.833 -7.146 727 HB2 GLN 100 HB2 GLN 100 0.298 -11.913 -7.031 728 HB3 GLN 100 HB3 GLN 100 1.308 -12.767 -8.200 729 HG2 GLN 100 HG2 GLN 100 2.304 -14.075 -6.341 730 HG3 GLN 100 HG3 GLN 100 1.252 -13.247 -5.202 731 HE21 GLN 100 HE21 GLN 100 -0.969 -13.741 -5.193 732 HE22 GLN 100 HE22 GLN 100 -1.582 -15.167 -5.947 733 H SER 101 H SER 101 0.437 -9.694 -7.208 734 HA SER 101 HA SER 101 1.155 -8.557 -9.771 735 HB2 SER 101 HB2 SER 101 -1.212 -8.834 -9.169 736 HB3 SER 101 HB3 SER 101 -1.021 -7.717 -7.821 737 HG SER 101 HG SER 101 -0.603 -6.069 -9.297 738 H THR 102 H THR 102 1.642 -7.580 -6.412 739 HA THR 102 HA THR 102 2.567 -4.910 -6.986 740 HB THR 102 HB THR 102 3.155 -6.660 -4.549 741 HG1 THR 102 HG1 THR 102 1.348 -5.877 -3.723 742 HG21 THR 102 HG21 THR 102 4.794 -4.806 -4.724 743 HG22 THR 102 HG22 THR 102 3.689 -4.558 -3.370 744 HG23 THR 102 HG23 THR 102 3.468 -3.647 -4.866 745 H GLU 103 H GLU 103 4.229 -4.639 -8.330 746 HA GLU 103 HA GLU 103 6.283 -6.629 -8.726 747 HB2 GLU 103 HB2 GLU 103 6.107 -3.855 -9.972 748 HB3 GLU 103 HB3 GLU 103 7.098 -5.193 -10.519 749 HG2 GLU 103 HG2 GLU 103 5.429 -5.533 -12.013 750 HG3 GLU 103 HG3 GLU 103 4.626 -6.352 -10.680 751 H LYS 104 H LYS 104 8.632 -5.987 -8.808 752 HA LYS 104 HA LYS 104 9.322 -5.328 -6.106 753 HB2 LYS 104 HB2 LYS 104 11.198 -6.008 -8.391 754 HB3 LYS 104 HB3 LYS 104 11.595 -6.037 -6.672 755 HG2 LYS 104 HG2 LYS 104 9.664 -7.865 -8.143 756 HG3 LYS 104 HG3 LYS 104 11.212 -8.307 -7.421 757 HD2 LYS 104 HD2 LYS 104 10.354 -8.059 -5.192 758 HD3 LYS 104 HD3 LYS 104 8.905 -7.228 -5.762 759 HE2 LYS 104 HE2 LYS 104 8.387 -9.533 -5.085 760 HE3 LYS 104 HE3 LYS 104 8.106 -9.315 -6.811 761 HZ1 LYS 104 HZ1 LYS 104 10.281 -10.361 -7.215 762 HZ2 LYS 104 HZ2 LYS 104 9.212 -11.392 -6.409 763 HZ3 LYS 104 HZ3 LYS 104 10.452 -10.629 -5.555 764 H SER 105 H SER 105 9.171 -3.344 -8.889 765 HA SER 105 HA SER 105 11.011 -1.286 -8.208 766 HB2 SER 105 HB2 SER 105 9.782 -1.426 -10.402 767 HB3 SER 105 HB3 SER 105 8.321 -0.889 -9.579 768 HG SER 105 HG SER 105 10.374 0.559 -10.536 769 H ALA 106 H ALA 106 7.880 -2.126 -6.861 770 HA ALA 106 HA ALA 106 7.218 0.128 -5.348 771 HB1 ALA 106 HB1 ALA 106 6.837 -2.781 -4.574 772 HB2 ALA 106 HB2 ALA 106 5.747 -1.825 -5.581 773 HB3 ALA 106 HB3 ALA 106 5.971 -1.402 -3.884 774 H LEU 107 H LEU 107 9.675 -2.325 -4.706 775 HA LEU 107 HA LEU 107 10.159 -1.829 -1.942 776 HB2 LEU 107 HB2 LEU 107 11.769 -3.208 -4.107 777 HB3 LEU 107 HB3 LEU 107 12.437 -2.994 -2.500 778 HG LEU 107 HG LEU 107 10.568 -4.344 -1.544 779 HD11 LEU 107 HD11 LEU 107 9.740 -4.861 -4.411 780 HD12 LEU 107 HD12 LEU 107 8.822 -3.952 -3.208 781 HD13 LEU 107 HD13 LEU 107 9.105 -5.676 -2.980 782 HD21 LEU 107 HD21 LEU 107 11.371 -6.527 -2.323 783 HD22 LEU 107 HD22 LEU 107 12.716 -5.410 -2.097 784 HD23 LEU 107 HD23 LEU 107 12.131 -5.771 -3.725 785 H ARG 108 H ARG 108 10.609 0.402 -4.249 786 HA ARG 108 HA ARG 108 13.130 1.544 -3.243 787 HB2 ARG 108 HB2 ARG 108 11.271 2.457 -5.483 788 HB3 ARG 108 HB3 ARG 108 12.818 3.203 -5.078 789 HG2 ARG 108 HG2 ARG 108 13.950 1.023 -5.631 790 HG3 ARG 108 HG3 ARG 108 12.383 0.390 -6.150 791 HD2 ARG 108 HD2 ARG 108 13.712 1.153 -8.071 792 HD3 ARG 108 HD3 ARG 108 12.254 2.137 -7.894 793 HE ARG 108 HE ARG 108 14.105 3.559 -6.519 794 HH11 ARG 108 HH11 ARG 108 14.147 2.314 -9.748 795 HH12 ARG 108 HH12 ARG 108 15.184 3.573 -10.310 796 HH21 ARG 108 HH21 ARG 108 15.415 5.134 -7.270 797 HH22 ARG 108 HH22 ARG 108 15.885 5.150 -8.934 798 H TYR 109 H TYR 109 9.754 1.747 -2.871 799 HA TYR 109 HA TYR 109 9.804 4.303 -1.374 800 HB2 TYR 109 HB2 TYR 109 7.399 2.698 -2.378 801 HB3 TYR 109 HB3 TYR 109 7.371 4.325 -1.707 802 HD1 TYR 109 HD1 TYR 109 8.518 2.321 -4.653 803 HD2 TYR 109 HD2 TYR 109 7.734 6.243 -3.129 804 HE1 TYR 109 HE1 TYR 109 8.740 3.245 -6.920 805 HE2 TYR 109 HE2 TYR 109 7.966 7.164 -5.394 806 HH TYR 109 HH TYR 109 8.978 6.611 -7.513 807 H VAL 110 H VAL 110 8.365 1.022 -1.292 808 HA VAL 110 HA VAL 110 8.401 0.907 1.645 809 HB VAL 110 HB VAL 110 7.312 -1.308 1.395 810 HG11 VAL 110 HG11 VAL 110 5.216 -0.683 0.340 811 HG12 VAL 110 HG12 VAL 110 5.990 0.738 -0.389 812 HG13 VAL 110 HG13 VAL 110 5.834 0.609 1.373 813 HG21 VAL 110 HG21 VAL 110 6.642 -2.191 -0.781 814 HG22 VAL 110 HG22 VAL 110 8.398 -2.067 -0.664 815 HG23 VAL 110 HG23 VAL 110 7.488 -0.868 -1.581 816 H SER 111 H SER 111 9.109 -1.438 2.403 817 HA SER 111 HA SER 111 11.260 -2.626 0.730 818 HB2 SER 111 HB2 SER 111 12.027 -1.942 2.986 819 HB3 SER 111 HB3 SER 111 10.766 -2.925 3.719 820 HG SER 111 HG SER 111 13.000 -3.848 3.478 821 H LEU 112 H LEU 112 11.186 -5.024 0.725 822 HA LEU 112 HA LEU 112 8.684 -6.169 0.220 823 HB2 LEU 112 HB2 LEU 112 10.574 -7.219 -0.722 824 HB3 LEU 112 HB3 LEU 112 11.385 -7.327 0.809 825 HG LEU 112 HG LEU 112 8.889 -8.976 0.525 826 HD11 LEU 112 HD11 LEU 112 11.466 -9.811 -0.839 827 HD12 LEU 112 HD12 LEU 112 9.965 -9.371 -1.650 828 HD13 LEU 112 HD13 LEU 112 10.020 -10.810 -0.633 829 HD21 LEU 112 HD21 LEU 112 10.217 -10.633 1.829 830 HD22 LEU 112 HD22 LEU 112 10.102 -9.071 2.637 831 HD23 LEU 112 HD23 LEU 112 11.598 -9.524 1.802 832 H ALA 113 H ALA 113 10.451 -5.869 3.251 833 HA ALA 113 HA ALA 113 9.101 -7.675 4.914 834 HB1 ALA 113 HB1 ALA 113 11.151 -6.473 5.558 835 HB2 ALA 113 HB2 ALA 113 9.893 -6.265 6.777 836 HB3 ALA 113 HB3 ALA 113 10.255 -4.956 5.644 837 H ASP 114 H ASP 114 8.185 -4.313 4.039 838 HA ASP 114 HA ASP 114 5.969 -4.092 5.843 839 HB2 ASP 114 HB2 ASP 114 6.471 -2.528 3.273 840 HB3 ASP 114 HB3 ASP 114 5.469 -2.026 4.636 841 H LEU 115 H LEU 115 6.386 -5.188 2.540 842 HA LEU 115 HA LEU 115 3.662 -5.388 1.736 843 HB2 LEU 115 HB2 LEU 115 6.066 -6.970 0.744 844 HB3 LEU 115 HB3 LEU 115 4.522 -6.813 -0.088 845 HG LEU 115 HG LEU 115 6.509 -4.554 0.410 846 HD11 LEU 115 HD11 LEU 115 6.861 -4.577 -2.002 847 HD12 LEU 115 HD12 LEU 115 5.794 -5.983 -2.159 848 HD13 LEU 115 HD13 LEU 115 7.318 -6.120 -1.272 849 HD21 LEU 115 HD21 LEU 115 4.201 -3.746 0.394 850 HD22 LEU 115 HD22 LEU 115 3.931 -4.514 -1.172 851 HD23 LEU 115 HD23 LEU 115 5.099 -3.197 -1.016 852 H GLN 116 H GLN 116 5.997 -7.827 2.888 853 HA GLN 116 HA GLN 116 4.311 -10.099 2.792 854 HB2 GLN 116 HB2 GLN 116 6.816 -9.609 4.447 855 HB3 GLN 116 HB3 GLN 116 6.095 -11.183 4.154 856 HG2 GLN 116 HG2 GLN 116 6.556 -9.898 1.613 857 HG3 GLN 116 HG3 GLN 116 8.025 -9.793 2.568 858 HE21 GLN 116 HE21 GLN 116 7.675 -11.253 0.157 859 HE22 GLN 116 HE22 GLN 116 7.920 -12.916 0.511 860 H ALA 117 H ALA 117 5.133 -7.867 5.400 861 HA ALA 117 HA ALA 117 3.898 -9.045 7.606 862 HB1 ALA 117 HB1 ALA 117 5.304 -7.036 7.727 863 HB2 ALA 117 HB2 ALA 117 3.771 -6.785 8.566 864 HB3 ALA 117 HB3 ALA 117 4.031 -6.084 6.964 865 H HIS 118 H HIS 118 2.295 -7.604 4.850 866 HA HIS 118 HA HIS 118 -0.356 -8.187 6.060 867 HB2 HIS 118 HB2 HIS 118 0.367 -5.769 4.346 868 HB3 HIS 118 HB3 HIS 118 -1.283 -6.217 4.779 869 HD1 HIS 118 HD1 HIS 118 -2.020 -5.825 7.229 870 HD2 HIS 118 HD2 HIS 118 1.869 -4.589 6.435 871 HE1 HIS 118 HE1 HIS 118 -1.310 -4.508 9.242 872 HE2 HIS 118 HE2 HIS 118 1.069 -3.844 8.785 873 H ALA 119 H ALA 119 1.563 -9.618 4.111 874 HA ALA 119 HA ALA 119 -0.477 -10.310 2.061 875 HB1 ALA 119 HB1 ALA 119 1.390 -9.063 1.020 876 HB2 ALA 119 HB2 ALA 119 1.330 -10.730 0.449 877 HB3 ALA 119 HB3 ALA 119 2.538 -10.252 1.646 878 H LEU 120 H LEU 120 -0.081 -12.533 1.093 879 HA LEU 120 HA LEU 120 0.507 -14.544 3.140 880 HB2 LEU 120 HB2 LEU 120 -0.373 -16.163 1.570 881 HB3 LEU 120 HB3 LEU 120 -1.453 -14.791 1.637 882 HG LEU 120 HG LEU 120 0.374 -14.326 -0.568 883 HD11 LEU 120 HD11 LEU 120 -0.905 -17.065 -0.748 884 HD12 LEU 120 HD12 LEU 120 0.823 -16.729 -0.599 885 HD13 LEU 120 HD13 LEU 120 -0.051 -16.212 -2.040 886 HD21 LEU 120 HD21 LEU 120 -1.881 -13.403 -0.425 887 HD22 LEU 120 HD22 LEU 120 -2.578 -15.014 -0.609 888 HD23 LEU 120 HD23 LEU 120 -1.655 -14.292 -1.932 889 HA PRO 121 HA PRO 121 4.700 -15.418 1.601 890 HB2 PRO 121 HB2 PRO 121 5.035 -18.018 2.422 891 HB3 PRO 121 HB3 PRO 121 5.069 -16.647 3.542 892 HG2 PRO 121 HG2 PRO 121 2.804 -18.542 2.931 893 HG3 PRO 121 HG3 PRO 121 3.348 -17.929 4.505 894 HD2 PRO 121 HD2 PRO 121 1.183 -16.890 3.185 895 HD3 PRO 121 HD3 PRO 121 2.214 -15.908 4.253 896 H VAL 122 H VAL 122 4.421 -15.276 -0.634 897 HA VAL 122 HA VAL 122 3.189 -17.318 -2.235 898 HB VAL 122 HB VAL 122 3.138 -14.962 -2.948 899 HG11 VAL 122 HG11 VAL 122 5.332 -14.198 -2.122 900 HG12 VAL 122 HG12 VAL 122 5.126 -13.780 -3.824 901 HG13 VAL 122 HG13 VAL 122 6.149 -15.146 -3.368 902 HG21 VAL 122 HG21 VAL 122 4.664 -16.684 -4.944 903 HG22 VAL 122 HG22 VAL 122 3.694 -15.262 -5.338 904 HG23 VAL 122 HG23 VAL 122 2.917 -16.706 -4.686 905 H LEU 123 H LEU 123 4.096 -19.048 -3.239 906 HA LEU 123 HA LEU 123 6.948 -19.650 -2.908 907 HB2 LEU 123 HB2 LEU 123 5.027 -21.331 -2.538 908 HB3 LEU 123 HB3 LEU 123 4.880 -21.376 -4.286 909 HG LEU 123 HG LEU 123 7.326 -22.084 -4.387 910 HD11 LEU 123 HD11 LEU 123 6.992 -22.452 -1.392 911 HD12 LEU 123 HD12 LEU 123 8.050 -21.287 -2.193 912 HD13 LEU 123 HD13 LEU 123 8.359 -23.013 -2.360 913 HD21 LEU 123 HD21 LEU 123 6.881 -24.432 -3.809 914 HD22 LEU 123 HD22 LEU 123 5.536 -23.711 -4.690 915 HD23 LEU 123 HD23 LEU 123 5.420 -23.946 -2.945 916 H GLU 124 H GLU 124 8.323 -18.892 -4.425 917 HA GLU 124 HA GLU 124 7.439 -18.202 -7.123 918 HB2 GLU 124 HB2 GLU 124 9.550 -17.096 -7.379 919 HB3 GLU 124 HB3 GLU 124 9.013 -16.760 -5.738 920 HG2 GLU 124 HG2 GLU 124 10.528 -18.598 -4.942 921 HG3 GLU 124 HG3 GLU 124 11.139 -18.748 -6.589 922 H HIS 125 H HIS 125 9.356 -18.792 -8.863 923 HA HIS 125 HA HIS 125 9.088 -21.719 -9.103 924 HB2 HIS 125 HB2 HIS 125 9.568 -19.562 -11.205 925 HB3 HIS 125 HB3 HIS 125 9.453 -21.287 -11.561 926 HD1 HIS 125 HD1 HIS 125 7.089 -22.372 -10.570 927 HD2 HIS 125 HD2 HIS 125 7.127 -18.316 -11.456 928 HE1 HIS 125 HE1 HIS 125 4.684 -21.717 -10.765 929 HE2 HIS 125 HE2 HIS 125 4.727 -19.291 -11.415 930 H HIS 126 H HIS 126 11.209 -20.752 -7.439 931 HA HIS 126 HA HIS 126 13.333 -21.241 -6.861 932 HB2 HIS 126 HB2 HIS 126 12.648 -23.533 -7.488 933 HB3 HIS 126 HB3 HIS 126 13.138 -23.245 -9.150 934 HD1 HIS 126 HD1 HIS 126 14.534 -23.965 -5.738 935 HD2 HIS 126 HD2 HIS 126 15.884 -23.540 -9.645 936 HE1 HIS 126 HE1 HIS 126 16.891 -24.809 -5.729 937 HE2 HIS 126 HE2 HIS 126 17.741 -24.356 -8.045 938 H HIS 127 H HIS 127 13.857 -21.746 -10.354 939 HA HIS 127 HA HIS 127 15.193 -19.181 -10.726 940 HB2 HIS 127 HB2 HIS 127 16.998 -20.730 -9.852 941 HB3 HIS 127 HB3 HIS 127 16.731 -21.773 -11.242 942 HD1 HIS 127 HD1 HIS 127 17.379 -20.698 -13.627 943 HD2 HIS 127 HD2 HIS 127 18.720 -18.611 -10.292 944 HE1 HIS 127 HE1 HIS 127 19.117 -19.102 -14.486 945 HE2 HIS 127 HE2 HIS 127 20.041 -17.997 -12.429 946 H HIS 128 H HIS 128 13.029 -19.328 -11.858 947 HA HIS 128 HA HIS 128 11.659 -19.544 -13.658 948 HB2 HIS 128 HB2 HIS 128 13.435 -17.993 -14.523 949 HB3 HIS 128 HB3 HIS 128 14.296 -19.374 -15.195 950 HD1 HIS 128 HD1 HIS 128 10.798 -17.871 -15.516 951 HD2 HIS 128 HD2 HIS 128 13.709 -19.698 -17.856 952 HE1 HIS 128 HE1 HIS 128 9.868 -17.893 -17.847 953 HE2 HIS 128 HE2 HIS 128 11.567 -19.153 -19.205 954 H HIS 129 H HIS 129 11.944 -21.917 -12.506 955 HA HIS 129 HA HIS 129 11.710 -24.141 -12.602 956 HB2 HIS 129 HB2 HIS 129 10.078 -23.638 -14.429 957 HB3 HIS 129 HB3 HIS 129 11.366 -23.811 -15.615 958 HD1 HIS 129 HD1 HIS 129 9.116 -25.778 -13.378 959 HD2 HIS 129 HD2 HIS 129 12.103 -26.501 -16.174 960 HE1 HIS 129 HE1 HIS 129 8.992 -28.232 -13.874 961 HE2 HIS 129 HE2 HIS 129 10.861 -28.670 -15.501 962 H HIS 130 H HIS 130 13.688 -24.817 -11.901 963 HA HIS 130 HA HIS 130 15.331 -26.224 -13.856 964 HB2 HIS 130 HB2 HIS 130 16.498 -24.027 -13.604 965 HB3 HIS 130 HB3 HIS 130 16.613 -24.289 -11.865 966 HD1 HIS 130 HD1 HIS 130 18.205 -26.299 -11.102 967 HD2 HIS 130 HD2 HIS 130 18.494 -25.246 -15.114 968 HE1 HIS 130 HE1 HIS 130 20.314 -27.379 -11.928 969 HE2 HIS 130 HE2 HIS 130 20.538 -26.620 -14.310 Start of MODEL 7 1 H1 MET 1 H1 MET 1 30.979 -10.129 -24.793 2 H2 MET 1 H2 MET 1 31.719 -8.609 -24.837 3 H3 MET 1 H3 MET 1 30.037 -8.724 -24.796 4 HA MET 1 HA MET 1 30.084 -9.652 -22.593 5 HB2 MET 1 HB2 MET 1 33.103 -9.272 -22.792 6 HB3 MET 1 HB3 MET 1 32.241 -9.755 -21.338 7 HG2 MET 1 HG2 MET 1 31.551 -11.843 -22.430 8 HG3 MET 1 HG3 MET 1 32.374 -11.347 -23.908 9 HE1 MET 1 HE1 MET 1 34.549 -12.426 -19.967 10 HE2 MET 1 HE2 MET 1 32.805 -12.571 -20.187 11 HE3 MET 1 HE3 MET 1 33.559 -10.976 -20.122 12 H GLY 2 H GLY 2 28.951 -7.892 -21.891 13 HA2 GLY 2 HA2 GLY 2 29.262 -5.967 -20.338 14 HA3 GLY 2 HA3 GLY 2 30.373 -5.297 -21.519 15 H GLN 3 H GLN 3 27.587 -4.614 -20.293 16 HA GLN 3 HA GLN 3 25.799 -3.359 -20.801 17 HB2 GLN 3 HB2 GLN 3 27.395 -2.708 -23.310 18 HB3 GLN 3 HB3 GLN 3 25.876 -1.927 -22.910 19 HG2 GLN 3 HG2 GLN 3 27.610 -0.438 -22.265 20 HG3 GLN 3 HG3 GLN 3 26.931 -1.099 -20.784 21 HE21 GLN 3 HE21 GLN 3 28.234 -2.454 -19.492 22 HE22 GLN 3 HE22 GLN 3 29.941 -2.586 -19.726 23 H GLY 4 H GLY 4 24.289 -5.094 -20.888 24 HA2 GLY 4 HA2 GLY 4 23.542 -6.239 -23.481 25 HA3 GLY 4 HA3 GLY 4 22.798 -6.575 -21.925 26 H GLN 5 H GLN 5 22.536 -4.784 -24.818 27 HA GLN 5 HA GLN 5 20.474 -2.937 -23.840 28 HB2 GLN 5 HB2 GLN 5 21.811 -3.354 -26.544 29 HB3 GLN 5 HB3 GLN 5 20.406 -2.316 -26.369 30 HG2 GLN 5 HG2 GLN 5 22.494 -1.027 -26.402 31 HG3 GLN 5 HG3 GLN 5 21.623 -0.824 -24.884 32 HE21 GLN 5 HE21 GLN 5 24.382 -2.415 -26.388 33 HE22 GLN 5 HE22 GLN 5 25.289 -2.615 -24.934 34 H ASN 6 H ASN 6 18.280 -2.948 -24.731 35 HA ASN 6 HA ASN 6 17.390 -5.512 -25.934 36 HB2 ASN 6 HB2 ASN 6 15.953 -4.041 -23.682 37 HB3 ASN 6 HB3 ASN 6 15.357 -5.474 -24.510 38 HD21 ASN 6 HD21 ASN 6 17.695 -4.273 -22.205 39 HD22 ASN 6 HD22 ASN 6 18.184 -5.815 -21.611 40 H VAL 7 H VAL 7 16.093 -5.302 -27.598 41 HA VAL 7 HA VAL 7 15.261 -2.758 -28.691 42 HB VAL 7 HB VAL 7 14.648 -3.913 -30.655 43 HG11 VAL 7 HG11 VAL 7 17.040 -4.294 -30.202 44 HG12 VAL 7 HG12 VAL 7 16.347 -5.648 -31.098 45 HG13 VAL 7 HG13 VAL 7 16.643 -5.798 -29.361 46 HG21 VAL 7 HG21 VAL 7 14.138 -6.468 -29.064 47 HG22 VAL 7 HG22 VAL 7 13.969 -6.303 -30.814 48 HG23 VAL 7 HG23 VAL 7 12.901 -5.404 -29.738 49 H LEU 8 H LEU 8 14.018 -4.968 -26.485 50 HA LEU 8 HA LEU 8 11.189 -4.695 -26.919 51 HB2 LEU 8 HB2 LEU 8 12.646 -5.774 -24.487 52 HB3 LEU 8 HB3 LEU 8 10.992 -6.073 -24.964 53 HG LEU 8 HG LEU 8 13.473 -7.122 -26.351 54 HD11 LEU 8 HD11 LEU 8 12.933 -8.294 -24.300 55 HD12 LEU 8 HD12 LEU 8 12.621 -9.322 -25.696 56 HD13 LEU 8 HD13 LEU 8 11.275 -8.550 -24.849 57 HD21 LEU 8 HD21 LEU 8 11.971 -8.342 -27.881 58 HD22 LEU 8 HD22 LEU 8 11.797 -6.599 -28.062 59 HD23 LEU 8 HD23 LEU 8 10.575 -7.515 -27.180 60 H GLY 9 H GLY 9 13.611 -3.335 -24.724 61 HA2 GLY 9 HA2 GLY 9 11.688 -1.847 -23.097 62 HA3 GLY 9 HA3 GLY 9 13.424 -1.954 -22.858 63 H GLN 10 H GLN 10 11.206 -0.732 -25.384 64 HA GLN 10 HA GLN 10 12.074 2.000 -25.045 65 HB2 GLN 10 HB2 GLN 10 12.750 2.305 -27.472 66 HB3 GLN 10 HB3 GLN 10 13.893 1.386 -26.501 67 HG2 GLN 10 HG2 GLN 10 13.214 -0.685 -27.503 68 HG3 GLN 10 HG3 GLN 10 11.831 0.074 -28.284 69 HE21 GLN 10 HE21 GLN 10 12.465 -0.636 -30.322 70 HE22 GLN 10 HE22 GLN 10 13.811 0.045 -31.161 71 H ASP 11 H ASP 11 10.371 -0.236 -27.284 72 HA ASP 11 HA ASP 11 8.212 1.661 -27.790 73 HB2 ASP 11 HB2 ASP 11 8.487 -1.266 -28.630 74 HB3 ASP 11 HB3 ASP 11 7.269 -0.140 -29.222 75 H LEU 12 H LEU 12 5.971 1.175 -27.314 76 HA LEU 12 HA LEU 12 5.465 -0.091 -24.783 77 HB2 LEU 12 HB2 LEU 12 3.191 0.579 -24.986 78 HB3 LEU 12 HB3 LEU 12 4.143 1.895 -25.639 79 HG LEU 12 HG LEU 12 2.595 -0.135 -27.315 80 HD11 LEU 12 HD11 LEU 12 1.013 1.681 -27.763 81 HD12 LEU 12 HD12 LEU 12 1.894 2.737 -26.655 82 HD13 LEU 12 HD13 LEU 12 1.082 1.292 -26.043 83 HD21 LEU 12 HD21 LEU 12 2.999 1.345 -29.229 84 HD22 LEU 12 HD22 LEU 12 4.524 0.776 -28.556 85 HD23 LEU 12 HD23 LEU 12 3.976 2.419 -28.220 86 H GLU 13 H GLU 13 4.684 -2.121 -24.367 87 HA GLU 13 HA GLU 13 4.494 -4.072 -26.582 88 HB2 GLU 13 HB2 GLU 13 4.564 -4.516 -23.561 89 HB3 GLU 13 HB3 GLU 13 4.726 -5.765 -24.798 90 HG2 GLU 13 HG2 GLU 13 6.864 -4.834 -25.509 91 HG3 GLU 13 HG3 GLU 13 6.682 -3.471 -24.407 92 H VAL 14 H VAL 14 2.538 -2.409 -24.267 93 HA VAL 14 HA VAL 14 0.261 -4.273 -24.475 94 HB VAL 14 HB VAL 14 1.297 -3.665 -22.230 95 HG11 VAL 14 HG11 VAL 14 0.715 -1.508 -21.190 96 HG12 VAL 14 HG12 VAL 14 -0.026 -0.973 -22.699 97 HG13 VAL 14 HG13 VAL 14 1.711 -1.277 -22.634 98 HG21 VAL 14 HG21 VAL 14 -0.941 -4.683 -22.374 99 HG22 VAL 14 HG22 VAL 14 -1.671 -3.084 -22.536 100 HG23 VAL 14 HG23 VAL 14 -0.852 -3.531 -21.040 101 H CYS 15 H CYS 15 -1.983 -2.851 -24.149 102 HA CYS 15 HA CYS 15 -2.071 -0.723 -26.169 103 HB2 CYS 15 HB2 CYS 15 -2.077 -2.593 -27.654 104 HB3 CYS 15 HB3 CYS 15 -3.182 -3.511 -26.637 105 HG CYS 15 HG CYS 15 -3.990 -0.755 -28.491 106 H CYS 16 H CYS 16 -4.540 -3.058 -25.037 107 HA CYS 16 HA CYS 16 -6.418 -2.956 -23.810 108 HB2 CYS 16 HB2 CYS 16 -5.029 -1.895 -22.057 109 HB3 CYS 16 HB3 CYS 16 -5.375 -0.311 -22.736 110 HG CYS 16 HG CYS 16 -8.102 -0.402 -22.129 111 H CYS 17 H CYS 17 -5.994 -1.153 -26.425 112 HA CYS 17 HA CYS 17 -7.987 0.843 -26.393 113 HB2 CYS 17 HB2 CYS 17 -6.928 -0.744 -28.765 114 HB3 CYS 17 HB3 CYS 17 -7.774 0.802 -28.846 115 HG CYS 17 HG CYS 17 -5.712 2.083 -27.281 116 H ALA 18 H ALA 18 -8.145 -2.403 -27.880 117 HA ALA 18 HA ALA 18 -10.698 -3.108 -26.949 118 HB1 ALA 18 HB1 ALA 18 -10.768 -2.209 -29.856 119 HB2 ALA 18 HB2 ALA 18 -11.529 -1.371 -28.505 120 HB3 ALA 18 HB3 ALA 18 -12.090 -2.976 -28.970 121 HA PRO 19 HA PRO 19 -9.456 -6.502 -30.110 122 HB2 PRO 19 HB2 PRO 19 -7.650 -6.200 -32.063 123 HB3 PRO 19 HB3 PRO 19 -9.226 -5.399 -32.165 124 HG2 PRO 19 HG2 PRO 19 -6.564 -4.238 -31.336 125 HG3 PRO 19 HG3 PRO 19 -7.792 -3.550 -32.422 126 HD2 PRO 19 HD2 PRO 19 -7.539 -2.896 -29.720 127 HD3 PRO 19 HD3 PRO 19 -9.027 -2.696 -30.666 128 H MET 20 H MET 20 -6.813 -4.871 -28.555 129 HA MET 20 HA MET 20 -5.295 -7.409 -28.222 130 HB2 MET 20 HB2 MET 20 -4.161 -4.617 -28.663 131 HB3 MET 20 HB3 MET 20 -3.196 -6.014 -28.205 132 HG2 MET 20 HG2 MET 20 -3.835 -7.132 -30.311 133 HG3 MET 20 HG3 MET 20 -4.772 -5.706 -30.772 134 HE1 MET 20 HE1 MET 20 -3.389 -5.571 -33.112 135 HE2 MET 20 HE2 MET 20 -2.496 -7.016 -32.630 136 HE3 MET 20 HE3 MET 20 -1.629 -5.580 -33.179 137 H THR 21 H THR 21 -4.245 -7.724 -26.276 138 HA THR 21 HA THR 21 -4.331 -8.092 -24.085 139 HB THR 21 HB THR 21 -3.717 -6.235 -22.553 140 HG1 THR 21 HG1 THR 21 -4.032 -4.606 -24.872 141 HG21 THR 21 HG21 THR 21 -1.951 -7.366 -23.850 142 HG22 THR 21 HG22 THR 21 -1.563 -5.659 -23.634 143 HG23 THR 21 HG23 THR 21 -2.187 -6.231 -25.182 144 H GLY 22 H GLY 22 -6.018 -5.007 -23.424 145 HA2 GLY 22 HA2 GLY 22 -8.120 -4.485 -22.733 146 HA3 GLY 22 HA3 GLY 22 -8.667 -5.800 -23.742 147 H TRP 23 H TRP 23 -8.838 -7.911 -22.799 148 HA TRP 23 HA TRP 23 -10.387 -8.098 -20.523 149 HB2 TRP 23 HB2 TRP 23 -8.750 -10.289 -21.874 150 HB3 TRP 23 HB3 TRP 23 -10.027 -10.589 -20.700 151 HD1 TRP 23 HD1 TRP 23 -12.572 -10.266 -21.537 152 HE1 TRP 23 HE1 TRP 23 -13.613 -10.185 -23.882 153 HE3 TRP 23 HE3 TRP 23 -8.343 -9.429 -24.305 154 HZ2 TRP 23 HZ2 TRP 23 -12.779 -9.821 -26.543 155 HZ3 TRP 23 HZ3 TRP 23 -8.555 -9.226 -26.750 156 HH2 TRP 23 HH2 TRP 23 -10.732 -9.420 -27.846 157 H TYR 24 H TYR 24 -6.941 -9.138 -20.763 158 HA TYR 24 HA TYR 24 -6.628 -9.709 -17.977 159 HB2 TYR 24 HB2 TYR 24 -4.465 -9.029 -20.026 160 HB3 TYR 24 HB3 TYR 24 -4.197 -9.775 -18.455 161 HD1 TYR 24 HD1 TYR 24 -5.190 -12.138 -18.040 162 HD2 TYR 24 HD2 TYR 24 -4.913 -10.394 -21.944 163 HE1 TYR 24 HE1 TYR 24 -5.368 -14.369 -19.053 164 HE2 TYR 24 HE2 TYR 24 -5.093 -12.633 -22.948 165 HH TYR 24 HH TYR 24 -4.630 -14.986 -22.292 166 H ARG 25 H ARG 25 -6.969 -8.057 -16.491 167 HA ARG 25 HA ARG 25 -6.305 -5.301 -17.100 168 HB2 ARG 25 HB2 ARG 25 -8.355 -6.067 -15.744 169 HB3 ARG 25 HB3 ARG 25 -7.250 -6.326 -14.395 170 HG2 ARG 25 HG2 ARG 25 -6.609 -3.935 -14.454 171 HG3 ARG 25 HG3 ARG 25 -7.677 -3.678 -15.835 172 HD2 ARG 25 HD2 ARG 25 -8.839 -2.877 -13.920 173 HD3 ARG 25 HD3 ARG 25 -9.601 -4.410 -14.349 174 HE ARG 25 HE ARG 25 -7.711 -5.085 -12.481 175 HH11 ARG 25 HH11 ARG 25 -10.433 -2.955 -12.488 176 HH12 ARG 25 HH12 ARG 25 -10.639 -3.045 -10.778 177 HH21 ARG 25 HH21 ARG 25 -8.004 -5.162 -10.277 178 HH22 ARG 25 HH22 ARG 25 -9.287 -4.259 -9.548 179 H ASN 26 H ASN 26 -4.062 -5.717 -17.465 180 HA ASN 26 HA ASN 26 -2.270 -5.170 -15.345 181 HB2 ASN 26 HB2 ASN 26 -2.698 -7.616 -14.882 182 HB3 ASN 26 HB3 ASN 26 -2.139 -8.002 -16.502 183 HD21 ASN 26 HD21 ASN 26 -1.175 -6.934 -13.327 184 HD22 ASN 26 HD22 ASN 26 0.517 -7.201 -13.533 185 H GLY 27 H GLY 27 -0.155 -4.744 -16.182 186 HA2 GLY 27 HA2 GLY 27 1.514 -4.482 -17.808 187 HA3 GLY 27 HA3 GLY 27 0.409 -5.065 -19.041 188 H PHE 28 H PHE 28 -1.692 -3.401 -19.034 189 HA PHE 28 HA PHE 28 -0.698 -0.881 -20.003 190 HB2 PHE 28 HB2 PHE 28 -3.038 -0.309 -20.480 191 HB3 PHE 28 HB3 PHE 28 -2.627 -1.905 -21.076 192 HD1 PHE 28 HD2 PHE 28 -4.583 -0.053 -18.513 193 HD2 PHE 28 HD1 PHE 28 -3.800 -3.886 -20.258 194 HE1 PHE 28 HE2 PHE 28 -6.602 -0.958 -17.444 195 HE2 PHE 28 HE1 PHE 28 -5.830 -4.766 -19.190 196 HZ PHE 28 HZ PHE 28 -7.228 -3.311 -17.786 197 H CYS 29 H CYS 29 -1.252 -1.951 -16.922 198 HA CYS 29 HA CYS 29 -2.620 -0.020 -15.498 199 HB2 CYS 29 HB2 CYS 29 -0.266 -1.717 -14.582 200 HB3 CYS 29 HB3 CYS 29 -1.390 -0.876 -13.514 201 HG CYS 29 HG CYS 29 -2.006 -3.600 -13.501 202 H GLN 30 H GLN 30 -2.141 2.085 -16.177 203 HA GLN 30 HA GLN 30 0.461 3.230 -16.238 204 HB2 GLN 30 HB2 GLN 30 -1.356 4.159 -17.595 205 HB3 GLN 30 HB3 GLN 30 -2.283 4.550 -16.156 206 HG2 GLN 30 HG2 GLN 30 -1.347 6.581 -17.027 207 HG3 GLN 30 HG3 GLN 30 -0.528 6.210 -15.514 208 HE21 GLN 30 HE21 GLN 30 0.319 7.917 -17.709 209 HE22 GLN 30 HE22 GLN 30 1.852 7.321 -18.232 210 H THR 31 H THR 31 1.380 2.673 -14.259 211 HA THR 31 HA THR 31 0.702 4.464 -11.979 212 HB THR 31 HB THR 31 0.493 2.163 -11.262 213 HG1 THR 31 HG1 THR 31 2.903 3.391 -10.360 214 HG21 THR 31 HG21 THR 31 2.349 0.525 -11.379 215 HG22 THR 31 HG22 THR 31 3.290 1.670 -12.336 216 HG23 THR 31 HG23 THR 31 1.791 1.004 -12.986 217 H ASP 32 H ASP 32 2.992 3.566 -14.369 218 HA ASP 32 HA ASP 32 5.380 4.700 -13.397 219 HB2 ASP 32 HB2 ASP 32 4.431 4.440 -16.292 220 HB3 ASP 32 HB3 ASP 32 6.098 4.697 -15.767 221 H VAL 33 H VAL 33 2.685 6.048 -15.236 222 HA VAL 33 HA VAL 33 1.859 8.080 -15.634 223 HB VAL 33 HB VAL 33 3.529 8.985 -13.251 224 HG11 VAL 33 HG11 VAL 33 1.150 10.371 -14.554 225 HG12 VAL 33 HG12 VAL 33 2.822 10.936 -14.567 226 HG13 VAL 33 HG13 VAL 33 1.927 10.874 -13.048 227 HG21 VAL 33 HG21 VAL 33 1.442 8.695 -11.929 228 HG22 VAL 33 HG22 VAL 33 1.979 7.170 -12.633 229 HG23 VAL 33 HG23 VAL 33 0.628 8.045 -13.357 230 H GLN 34 H GLN 34 5.092 9.226 -14.621 231 HA GLN 34 HA GLN 34 5.349 10.640 -17.210 232 HB2 GLN 34 HB2 GLN 34 6.870 12.205 -16.100 233 HB3 GLN 34 HB3 GLN 34 5.356 12.104 -15.219 234 HG2 GLN 34 HG2 GLN 34 7.863 10.625 -14.364 235 HG3 GLN 34 HG3 GLN 34 7.477 12.249 -13.817 236 HE21 GLN 34 HE21 GLN 34 5.637 12.530 -12.445 237 HE22 GLN 34 HE22 GLN 34 5.037 11.214 -11.504 238 H ASP 35 H ASP 35 6.403 7.833 -15.824 239 HA ASP 35 HA ASP 35 7.999 6.276 -16.262 240 HB2 ASP 35 HB2 ASP 35 7.250 6.981 -18.641 241 HB3 ASP 35 HB3 ASP 35 8.721 7.937 -18.716 242 H ARG 36 H ARG 36 10.670 6.432 -17.236 243 HA ARG 36 HA ARG 36 12.795 7.033 -16.913 244 HB2 ARG 36 HB2 ARG 36 11.648 9.661 -15.936 245 HB3 ARG 36 HB3 ARG 36 13.373 9.372 -16.166 246 HG2 ARG 36 HG2 ARG 36 12.968 8.951 -18.584 247 HG3 ARG 36 HG3 ARG 36 11.246 9.257 -18.345 248 HD2 ARG 36 HD2 ARG 36 12.364 11.208 -19.302 249 HD3 ARG 36 HD3 ARG 36 11.749 11.580 -17.692 250 HE ARG 36 HE ARG 36 14.268 10.923 -17.126 251 HH11 ARG 36 HH11 ARG 36 13.056 13.072 -19.563 252 HH12 ARG 36 HH12 ARG 36 14.501 14.017 -19.574 253 HH21 ARG 36 HH21 ARG 36 16.079 12.153 -17.166 254 HH22 ARG 36 HH22 ARG 36 16.174 13.518 -18.227 255 H GLY 37 H GLY 37 11.259 8.518 -14.018 256 HA2 GLY 37 HA2 GLY 37 13.067 7.172 -12.194 257 HA3 GLY 37 HA3 GLY 37 11.727 8.219 -11.778 258 H SER 38 H SER 38 10.783 5.732 -13.895 259 HA SER 38 HA SER 38 9.663 3.792 -13.802 260 HB2 SER 38 HB2 SER 38 11.022 3.388 -11.101 261 HB3 SER 38 HB3 SER 38 10.157 2.136 -11.994 262 HG SER 38 HG SER 38 11.701 2.443 -13.696 263 H HIS 39 H HIS 39 9.454 4.443 -10.265 264 HA HIS 39 HA HIS 39 7.722 4.676 -8.814 265 HB2 HIS 39 HB2 HIS 39 6.285 6.147 -11.067 266 HB3 HIS 39 HB3 HIS 39 6.034 6.351 -9.338 267 HD1 HIS 39 HD1 HIS 39 7.619 7.940 -12.080 268 HD2 HIS 39 HD2 HIS 39 8.634 7.384 -8.085 269 HE1 HIS 39 HE1 HIS 39 9.347 9.684 -11.579 270 HE2 HIS 39 HE2 HIS 39 10.061 9.221 -9.217 271 H THR 40 H THR 40 7.668 2.175 -10.261 272 HA THR 40 HA THR 40 4.925 1.803 -11.276 273 HB THR 40 HB THR 40 7.074 -0.353 -11.319 274 HG1 THR 40 HG1 THR 40 6.836 1.689 -13.296 275 HG21 THR 40 HG21 THR 40 5.969 -1.012 -13.434 276 HG22 THR 40 HG22 THR 40 4.843 0.339 -13.274 277 HG23 THR 40 HG23 THR 40 4.805 -0.982 -12.104 278 H VAL 41 H VAL 41 3.584 1.536 -9.587 279 HA VAL 41 HA VAL 41 3.980 -0.645 -7.626 280 HB VAL 41 HB VAL 41 2.991 2.141 -6.821 281 HG11 VAL 41 HG11 VAL 41 3.187 1.289 -4.498 282 HG12 VAL 41 HG12 VAL 41 3.695 -0.285 -5.112 283 HG13 VAL 41 HG13 VAL 41 2.066 0.307 -5.448 284 HG21 VAL 41 HG21 VAL 41 5.128 2.446 -5.594 285 HG22 VAL 41 HG22 VAL 41 5.385 2.327 -7.337 286 HG23 VAL 41 HG23 VAL 41 5.740 0.949 -6.298 287 H CYS 42 H CYS 42 2.332 -1.884 -8.585 288 HA CYS 42 HA CYS 42 -0.422 -0.816 -8.369 289 HB2 CYS 42 HB2 CYS 42 0.541 -3.495 -9.472 290 HB3 CYS 42 HB3 CYS 42 -1.117 -2.881 -9.514 291 HG CYS 42 HG CYS 42 1.574 -1.874 -11.318 292 H ALA 43 H ALA 43 -1.026 -0.854 -6.307 293 HA ALA 43 HA ALA 43 -0.754 -3.291 -4.661 294 HB1 ALA 43 HB1 ALA 43 1.057 -1.743 -3.948 295 HB2 ALA 43 HB2 ALA 43 -0.160 -1.889 -2.682 296 HB3 ALA 43 HB3 ALA 43 -0.124 -0.455 -3.708 297 H GLU 44 H GLU 44 -2.509 -3.460 -3.082 298 HA GLU 44 HA GLU 44 -4.854 -1.873 -3.970 299 HB2 GLU 44 HB2 GLU 44 -4.636 -4.290 -4.853 300 HB3 GLU 44 HB3 GLU 44 -5.009 -4.809 -3.211 301 HG2 GLU 44 HG2 GLU 44 -7.144 -3.673 -3.294 302 HG3 GLU 44 HG3 GLU 44 -6.741 -2.977 -4.869 303 H MET 45 H MET 45 -5.432 -0.631 -2.385 304 HA MET 45 HA MET 45 -5.195 -1.377 0.442 305 HB2 MET 45 HB2 MET 45 -6.143 1.288 -0.737 306 HB3 MET 45 HB3 MET 45 -5.527 0.981 0.887 307 HG2 MET 45 HG2 MET 45 -3.904 0.761 -1.657 308 HG3 MET 45 HG3 MET 45 -3.877 2.128 -0.548 309 HE1 MET 45 HE1 MET 45 -2.072 0.760 2.556 310 HE2 MET 45 HE2 MET 45 -3.793 1.030 2.293 311 HE3 MET 45 HE3 MET 45 -2.615 2.195 1.687 312 H THR 46 H THR 46 -6.988 -1.401 1.870 313 HA THR 46 HA THR 46 -9.653 -1.830 0.763 314 HB THR 46 HB THR 46 -10.370 -2.188 3.115 315 HG1 THR 46 HG1 THR 46 -8.642 -2.097 4.757 316 HG21 THR 46 HG21 THR 46 -7.757 -3.639 2.518 317 HG22 THR 46 HG22 THR 46 -9.354 -4.119 1.936 318 HG23 THR 46 HG23 THR 46 -8.993 -4.167 3.664 319 H GLU 47 H GLU 47 -11.533 -0.524 1.437 320 HA GLU 47 HA GLU 47 -11.141 2.228 1.072 321 HB2 GLU 47 HB2 GLU 47 -13.267 0.879 0.595 322 HB3 GLU 47 HB3 GLU 47 -13.665 1.076 2.298 323 HG2 GLU 47 HG2 GLU 47 -13.768 3.486 2.070 324 HG3 GLU 47 HG3 GLU 47 -13.116 3.406 0.437 325 H GLU 48 H GLU 48 -11.284 0.375 4.054 326 HA GLU 48 HA GLU 48 -11.522 2.255 6.047 327 HB2 GLU 48 HB2 GLU 48 -11.264 -0.131 6.472 328 HB3 GLU 48 HB3 GLU 48 -9.645 -0.127 5.789 329 HG2 GLU 48 HG2 GLU 48 -9.556 -0.300 8.199 330 HG3 GLU 48 HG3 GLU 48 -8.833 1.211 7.654 331 H PHE 49 H PHE 49 -8.597 1.611 4.044 332 HA PHE 49 HA PHE 49 -6.997 3.681 5.223 333 HB2 PHE 49 HB2 PHE 49 -5.825 1.889 4.099 334 HB3 PHE 49 HB3 PHE 49 -6.691 2.185 2.590 335 HD1 PHE 49 HD2 PHE 49 -4.371 3.896 5.011 336 HD2 PHE 49 HD1 PHE 49 -5.700 3.605 0.950 337 HE1 PHE 49 HE2 PHE 49 -2.653 5.511 4.324 338 HE2 PHE 49 HE1 PHE 49 -3.983 5.229 0.281 339 HZ PHE 49 HZ PHE 49 -2.458 6.180 1.964 340 H LEU 50 H LEU 50 -8.894 3.550 2.149 341 HA LEU 50 HA LEU 50 -7.972 6.104 1.251 342 HB2 LEU 50 HB2 LEU 50 -10.300 4.432 0.236 343 HB3 LEU 50 HB3 LEU 50 -9.760 5.915 -0.515 344 HG LEU 50 HG LEU 50 -7.433 4.725 -0.708 345 HD11 LEU 50 HD11 LEU 50 -7.936 2.787 0.671 346 HD12 LEU 50 HD12 LEU 50 -7.522 2.312 -0.974 347 HD13 LEU 50 HD13 LEU 50 -9.210 2.296 -0.451 348 HD21 LEU 50 HD21 LEU 50 -8.771 5.351 -2.652 349 HD22 LEU 50 HD22 LEU 50 -9.740 3.885 -2.482 350 HD23 LEU 50 HD23 LEU 50 -8.023 3.768 -2.889 351 H LEU 51 H LEU 51 -10.708 5.196 3.217 352 HA LEU 51 HA LEU 51 -12.029 7.742 3.254 353 HB2 LEU 51 HB2 LEU 51 -12.145 5.389 5.178 354 HB3 LEU 51 HB3 LEU 51 -13.139 6.826 5.344 355 HG LEU 51 HG LEU 51 -13.237 4.879 3.015 356 HD11 LEU 51 HD11 LEU 51 -15.442 4.236 3.867 357 HD12 LEU 51 HD12 LEU 51 -15.242 5.315 5.251 358 HD13 LEU 51 HD13 LEU 51 -14.181 3.917 5.058 359 HD21 LEU 51 HD21 LEU 51 -13.747 7.142 2.251 360 HD22 LEU 51 HD22 LEU 51 -14.943 7.337 3.537 361 HD23 LEU 51 HD23 LEU 51 -15.207 6.152 2.254 362 H PHE 52 H PHE 52 -9.575 6.158 5.326 363 HA PHE 52 HA PHE 52 -9.247 8.183 7.274 364 HB2 PHE 52 HB2 PHE 52 -8.292 5.987 7.634 365 HB3 PHE 52 HB3 PHE 52 -7.316 6.100 6.176 366 HD1 PHE 52 HD1 PHE 52 -7.776 7.763 9.520 367 HD2 PHE 52 HD2 PHE 52 -5.053 6.776 6.366 368 HE1 PHE 52 HE1 PHE 52 -5.900 8.620 10.859 369 HE2 PHE 52 HE2 PHE 52 -3.184 7.631 7.716 370 HZ PHE 52 HZ PHE 52 -3.606 8.553 9.963 371 H SER 53 H SER 53 -7.592 7.685 4.158 372 HA SER 53 HA SER 53 -5.779 9.851 4.278 373 HB2 SER 53 HB2 SER 53 -5.454 7.979 2.713 374 HB3 SER 53 HB3 SER 53 -6.937 8.400 1.857 375 HG SER 53 HG SER 53 -4.548 9.940 2.018 376 H ARG 54 H ARG 54 -9.112 9.621 3.010 377 HA ARG 54 HA ARG 54 -9.028 12.260 1.856 378 HB2 ARG 54 HB2 ARG 54 -11.207 11.901 1.026 379 HB3 ARG 54 HB3 ARG 54 -10.380 10.357 0.898 380 HG2 ARG 54 HG2 ARG 54 -11.610 9.511 2.845 381 HG3 ARG 54 HG3 ARG 54 -12.380 11.082 3.067 382 HD2 ARG 54 HD2 ARG 54 -12.760 9.162 0.744 383 HD3 ARG 54 HD3 ARG 54 -13.956 9.623 1.963 384 HE ARG 54 HE ARG 54 -12.858 11.740 0.268 385 HH11 ARG 54 HH11 ARG 54 -15.604 9.761 0.994 386 HH12 ARG 54 HH12 ARG 54 -16.641 10.670 -0.045 387 HH21 ARG 54 HH21 ARG 54 -14.163 12.854 -1.022 388 HH22 ARG 54 HH22 ARG 54 -15.831 12.416 -1.177 389 H ASP 55 H ASP 55 -10.416 10.918 4.823 390 HA ASP 55 HA ASP 55 -11.990 13.291 5.409 391 HB2 ASP 55 HB2 ASP 55 -12.801 10.957 5.862 392 HB3 ASP 55 HB3 ASP 55 -11.545 10.777 7.083 393 H ARG 56 H ARG 56 -8.945 11.869 6.483 394 HA ARG 56 HA ARG 56 -8.598 13.897 8.605 395 HB2 ARG 56 HB2 ARG 56 -8.172 11.460 9.095 396 HB3 ARG 56 HB3 ARG 56 -6.855 11.479 7.935 397 HG2 ARG 56 HG2 ARG 56 -6.497 13.597 9.933 398 HG3 ARG 56 HG3 ARG 56 -6.722 12.037 10.718 399 HD2 ARG 56 HD2 ARG 56 -4.352 12.438 10.382 400 HD3 ARG 56 HD3 ARG 56 -4.859 11.103 9.344 401 HE ARG 56 HE ARG 56 -4.659 13.833 8.232 402 HH11 ARG 56 HH11 ARG 56 -3.523 10.553 8.205 403 HH12 ARG 56 HH12 ARG 56 -2.527 10.805 6.818 404 HH21 ARG 56 HH21 ARG 56 -3.376 14.108 6.464 405 HH22 ARG 56 HH22 ARG 56 -2.434 12.794 5.854 406 H GLY 57 H GLY 57 -7.273 12.833 5.503 407 HA2 GLY 57 HA2 GLY 57 -5.062 14.760 5.547 408 HA3 GLY 57 HA3 GLY 57 -5.387 13.555 4.311 409 H ASN 58 H ASN 58 -6.434 14.193 2.450 410 HA ASN 58 HA ASN 58 -7.952 16.639 2.208 411 HB2 ASN 58 HB2 ASN 58 -6.387 17.903 0.800 412 HB3 ASN 58 HB3 ASN 58 -5.644 17.570 2.358 413 HD21 ASN 58 HD21 ASN 58 -5.494 17.026 -1.046 414 HD22 ASN 58 HD22 ASN 58 -3.983 16.188 -1.061 415 H ASP 59 H ASP 59 -8.010 13.766 1.510 416 HA ASP 59 HA ASP 59 -8.953 12.392 0.046 417 HB2 ASP 59 HB2 ASP 59 -10.073 14.816 -0.758 418 HB3 ASP 59 HB3 ASP 59 -9.413 14.201 -2.265 419 H LEU 60 H LEU 60 -8.822 11.869 -2.532 420 HA LEU 60 HA LEU 60 -6.484 12.018 -3.990 421 HB2 LEU 60 HB2 LEU 60 -5.442 10.966 -1.927 422 HB3 LEU 60 HB3 LEU 60 -6.480 9.575 -2.130 423 HG LEU 60 HG LEU 60 -4.049 9.301 -2.845 424 HD11 LEU 60 HD11 LEU 60 -6.065 8.694 -5.021 425 HD12 LEU 60 HD12 LEU 60 -5.761 7.716 -3.586 426 HD13 LEU 60 HD13 LEU 60 -4.490 7.924 -4.786 427 HD21 LEU 60 HD21 LEU 60 -3.692 11.462 -3.897 428 HD22 LEU 60 HD22 LEU 60 -4.852 11.075 -5.168 429 HD23 LEU 60 HD23 LEU 60 -3.346 10.160 -5.037 430 H MET 61 H MET 61 -8.995 9.894 -2.725 431 HA MET 61 HA MET 61 -9.133 8.047 -4.891 432 HB2 MET 61 HB2 MET 61 -9.725 7.415 -2.600 433 HB3 MET 61 HB3 MET 61 -11.022 8.600 -2.563 434 HG2 MET 61 HG2 MET 61 -12.299 7.312 -4.182 435 HG3 MET 61 HG3 MET 61 -10.957 6.188 -4.397 436 HE1 MET 61 HE1 MET 61 -12.126 7.708 -0.904 437 HE2 MET 61 HE2 MET 61 -13.318 6.504 -0.413 438 HE3 MET 61 HE3 MET 61 -13.640 7.548 -1.796 439 H THR 62 H THR 62 -11.057 10.947 -4.048 440 HA THR 62 HA THR 62 -12.880 10.512 -6.345 441 HB THR 62 HB THR 62 -14.293 12.276 -5.375 442 HG1 THR 62 HG1 THR 62 -12.635 12.535 -3.125 443 HG21 THR 62 HG21 THR 62 -13.365 10.350 -3.204 444 HG22 THR 62 HG22 THR 62 -14.586 9.999 -4.430 445 HG23 THR 62 HG23 THR 62 -14.895 11.234 -3.206 446 HA PRO 63 HA PRO 63 -10.834 13.607 -8.898 447 HB2 PRO 63 HB2 PRO 63 -12.781 14.332 -10.623 448 HB3 PRO 63 HB3 PRO 63 -12.172 12.669 -10.574 449 HG2 PRO 63 HG2 PRO 63 -14.640 13.813 -9.246 450 HG3 PRO 63 HG3 PRO 63 -14.505 12.355 -10.256 451 HD2 PRO 63 HD2 PRO 63 -14.497 12.236 -7.534 452 HD3 PRO 63 HD3 PRO 63 -13.566 11.091 -8.526 453 H ARG 64 H ARG 64 -11.759 14.780 -6.346 454 HA ARG 64 HA ARG 64 -12.954 17.297 -6.540 455 HB2 ARG 64 HB2 ARG 64 -10.806 16.169 -4.713 456 HB3 ARG 64 HB3 ARG 64 -11.430 17.802 -4.496 457 HG2 ARG 64 HG2 ARG 64 -13.702 16.900 -4.155 458 HG3 ARG 64 HG3 ARG 64 -13.085 15.258 -4.379 459 HD2 ARG 64 HD2 ARG 64 -13.393 15.920 -1.978 460 HD3 ARG 64 HD3 ARG 64 -11.751 15.414 -2.376 461 HE ARG 64 HE ARG 64 -11.931 18.208 -2.632 462 HH11 ARG 64 HH11 ARG 64 -11.926 15.827 -0.108 463 HH12 ARG 64 HH12 ARG 64 -11.269 16.930 1.050 464 HH21 ARG 64 HH21 ARG 64 -11.058 19.559 -1.155 465 HH22 ARG 64 HH22 ARG 64 -10.785 19.017 0.462 466 HA PRO 65 HA PRO 65 -10.346 19.928 -8.989 467 HB2 PRO 65 HB2 PRO 65 -10.362 22.356 -7.645 468 HB3 PRO 65 HB3 PRO 65 -11.741 21.727 -8.558 469 HG2 PRO 65 HG2 PRO 65 -11.193 21.527 -5.587 470 HG3 PRO 65 HG3 PRO 65 -12.691 22.028 -6.405 471 HD2 PRO 65 HD2 PRO 65 -12.451 19.541 -5.455 472 HD3 PRO 65 HD3 PRO 65 -13.232 19.809 -7.034 473 H GLU 66 H GLU 66 -9.341 19.359 -5.749 474 HA GLU 66 HA GLU 66 -6.783 20.539 -5.691 475 HB2 GLU 66 HB2 GLU 66 -7.922 18.080 -4.304 476 HB3 GLU 66 HB3 GLU 66 -6.300 18.679 -3.979 477 HG2 GLU 66 HG2 GLU 66 -7.806 19.432 -2.242 478 HG3 GLU 66 HG3 GLU 66 -7.231 20.810 -3.178 479 H PHE 67 H PHE 67 -7.835 17.309 -6.795 480 HA PHE 67 HA PHE 67 -5.128 16.697 -7.858 481 HB2 PHE 67 HB2 PHE 67 -7.450 14.842 -7.171 482 HB3 PHE 67 HB3 PHE 67 -5.923 14.309 -7.873 483 HD1 PHE 67 HD2 PHE 67 -7.537 15.653 -4.831 484 HD2 PHE 67 HD1 PHE 67 -3.892 14.189 -6.526 485 HE1 PHE 67 HE2 PHE 67 -6.544 15.508 -2.588 486 HE2 PHE 67 HE1 PHE 67 -2.912 14.048 -4.279 487 HZ PHE 67 HZ PHE 67 -4.232 14.712 -2.314 488 H ASN 68 H ASN 68 -8.453 17.124 -8.751 489 HA ASN 68 HA ASN 68 -9.657 17.245 -10.626 490 HB2 ASN 68 HB2 ASN 68 -6.969 17.390 -12.046 491 HB3 ASN 68 HB3 ASN 68 -8.525 17.713 -12.813 492 HD21 ASN 68 HD21 ASN 68 -6.162 18.902 -10.511 493 HD22 ASN 68 HD22 ASN 68 -6.810 20.497 -10.382 494 H PHE 69 H PHE 69 -6.951 15.155 -11.738 495 HA PHE 69 HA PHE 69 -8.883 13.064 -12.548 496 HB2 PHE 69 HB2 PHE 69 -5.974 13.486 -13.375 497 HB3 PHE 69 HB3 PHE 69 -7.019 12.198 -13.970 498 HD1 PHE 69 HD1 PHE 69 -8.956 12.741 -15.466 499 HD2 PHE 69 HD2 PHE 69 -6.177 15.760 -14.242 500 HE1 PHE 69 HE1 PHE 69 -9.761 14.217 -17.259 501 HE2 PHE 69 HE2 PHE 69 -6.994 17.228 -16.037 502 HZ PHE 69 HZ PHE 69 -8.780 16.461 -17.548 503 HA PRO 70 HA PRO 70 -7.104 10.895 -8.904 504 HB2 PRO 70 HB2 PRO 70 -9.145 9.231 -8.395 505 HB3 PRO 70 HB3 PRO 70 -9.318 10.973 -8.124 506 HG2 PRO 70 HG2 PRO 70 -10.269 9.322 -10.472 507 HG3 PRO 70 HG3 PRO 70 -11.146 10.571 -9.562 508 HD2 PRO 70 HD2 PRO 70 -9.843 11.041 -11.969 509 HD3 PRO 70 HD3 PRO 70 -10.171 12.297 -10.755 510 H GLY 71 H GLY 71 -6.689 8.542 -8.339 511 HA2 GLY 71 HA2 GLY 71 -5.811 7.015 -10.720 512 HA3 GLY 71 HA3 GLY 71 -5.199 6.834 -9.084 513 H LEU 72 H LEU 72 -5.720 4.919 -8.266 514 HA LEU 72 HA LEU 72 -7.722 3.171 -9.216 515 HB2 LEU 72 HB2 LEU 72 -7.119 1.670 -7.431 516 HB3 LEU 72 HB3 LEU 72 -5.656 2.402 -8.055 517 HG LEU 72 HG LEU 72 -6.998 3.340 -5.477 518 HD11 LEU 72 HD11 LEU 72 -6.357 1.001 -5.202 519 HD12 LEU 72 HD12 LEU 72 -5.342 2.054 -4.220 520 HD13 LEU 72 HD13 LEU 72 -4.709 1.369 -5.721 521 HD21 LEU 72 HD21 LEU 72 -5.485 5.002 -6.487 522 HD22 LEU 72 HD22 LEU 72 -4.173 3.821 -6.495 523 HD23 LEU 72 HD23 LEU 72 -4.844 4.390 -4.963 524 H LYS 73 H LYS 73 -9.600 2.328 -8.160 525 HA LYS 73 HA LYS 73 -11.016 4.026 -6.231 526 HB2 LYS 73 HB2 LYS 73 -11.751 1.316 -7.425 527 HB3 LYS 73 HB3 LYS 73 -12.810 2.302 -6.421 528 HG2 LYS 73 HG2 LYS 73 -11.736 3.167 -9.128 529 HG3 LYS 73 HG3 LYS 73 -13.300 2.384 -8.879 530 HD2 LYS 73 HD2 LYS 73 -13.953 4.296 -7.371 531 HD3 LYS 73 HD3 LYS 73 -12.430 5.093 -7.785 532 HE2 LYS 73 HE2 LYS 73 -13.108 5.210 -10.145 533 HE3 LYS 73 HE3 LYS 73 -14.591 4.320 -9.787 534 HZ1 LYS 73 HZ1 LYS 73 -14.998 6.675 -9.951 535 HZ2 LYS 73 HZ2 LYS 73 -13.875 6.992 -8.731 536 HZ3 LYS 73 HZ3 LYS 73 -15.289 6.142 -8.373 537 H ALA 74 H ALA 74 -12.099 2.620 -4.361 538 HA ALA 74 HA ALA 74 -10.016 1.560 -2.679 539 HB1 ALA 74 HB1 ALA 74 -11.807 1.284 -1.023 540 HB2 ALA 74 HB2 ALA 74 -13.018 1.641 -2.255 541 HB3 ALA 74 HB3 ALA 74 -11.867 2.885 -1.763 542 H GLY 75 H GLY 75 -9.208 -0.248 -3.775 543 HA2 GLY 75 HA2 GLY 75 -9.225 -2.679 -3.463 544 HA3 GLY 75 HA3 GLY 75 -10.930 -2.675 -3.859 545 H ASP 76 H ASP 76 -8.621 -0.723 -5.709 546 HA ASP 76 HA ASP 76 -8.475 -2.813 -7.819 547 HB2 ASP 76 HB2 ASP 76 -8.643 0.212 -8.149 548 HB3 ASP 76 HB3 ASP 76 -8.149 -0.862 -9.457 549 H ARG 77 H ARG 77 -6.517 -3.690 -7.802 550 HA ARG 77 HA ARG 77 -4.148 -2.462 -6.781 551 HB2 ARG 77 HB2 ARG 77 -3.028 -4.536 -7.674 552 HB3 ARG 77 HB3 ARG 77 -4.417 -4.850 -6.637 553 HG2 ARG 77 HG2 ARG 77 -5.765 -5.075 -8.867 554 HG3 ARG 77 HG3 ARG 77 -4.185 -5.214 -9.638 555 HD2 ARG 77 HD2 ARG 77 -5.042 -7.436 -9.239 556 HD3 ARG 77 HD3 ARG 77 -3.693 -7.166 -8.130 557 HE ARG 77 HE ARG 77 -6.008 -6.429 -6.791 558 HH11 ARG 77 HH11 ARG 77 -4.699 -9.387 -8.023 559 HH12 ARG 77 HH12 ARG 77 -5.576 -10.344 -6.880 560 HH21 ARG 77 HH21 ARG 77 -7.124 -7.660 -5.412 561 HH22 ARG 77 HH22 ARG 77 -6.932 -9.377 -5.435 562 H TRP 78 H TRP 78 -3.716 -0.551 -7.834 563 HA TRP 78 HA TRP 78 -2.369 -0.391 -10.322 564 HB2 TRP 78 HB2 TRP 78 -4.505 -0.860 -11.398 565 HB3 TRP 78 HB3 TRP 78 -5.343 0.302 -10.383 566 HD1 TRP 78 HD1 TRP 78 -2.283 0.679 -12.788 567 HE1 TRP 78 HE1 TRP 78 -2.719 2.705 -14.298 568 HE3 TRP 78 HE3 TRP 78 -6.920 2.017 -11.081 569 HZ2 TRP 78 HZ2 TRP 78 -4.736 4.603 -14.753 570 HZ3 TRP 78 HZ3 TRP 78 -8.038 3.956 -12.117 571 HH2 TRP 78 HH2 TRP 78 -6.968 5.225 -13.918 572 H CYS 79 H CYS 79 -1.295 1.565 -10.439 573 HA CYS 79 HA CYS 79 -0.599 3.716 -10.089 574 HB2 CYS 79 HB2 CYS 79 -2.611 4.055 -11.518 575 HB3 CYS 79 HB3 CYS 79 -3.590 4.268 -10.072 576 HG CYS 79 HG CYS 79 -1.439 6.465 -9.530 577 H LEU 80 H LEU 80 -0.752 2.231 -7.639 578 HA LEU 80 HA LEU 80 -2.148 3.844 -5.679 579 HB2 LEU 80 HB2 LEU 80 -2.219 1.371 -5.558 580 HB3 LEU 80 HB3 LEU 80 -0.481 1.317 -5.308 581 HG LEU 80 HG LEU 80 -2.052 0.974 -3.268 582 HD11 LEU 80 HD11 LEU 80 -0.540 2.031 -1.679 583 HD12 LEU 80 HD12 LEU 80 0.177 2.999 -2.967 584 HD13 LEU 80 HD13 LEU 80 0.355 1.244 -2.975 585 HD21 LEU 80 HD21 LEU 80 -2.237 3.995 -3.415 586 HD22 LEU 80 HD22 LEU 80 -2.829 2.972 -2.105 587 HD23 LEU 80 HD23 LEU 80 -3.555 2.856 -3.705 588 H CYS 81 H CYS 81 1.227 3.452 -6.704 589 HA CYS 81 HA CYS 81 3.179 4.476 -6.135 590 HB2 CYS 81 HB2 CYS 81 2.098 6.623 -6.435 591 HB3 CYS 81 HB3 CYS 81 1.342 6.535 -4.850 592 HG CYS 81 HG CYS 81 4.705 6.885 -5.403 593 H ALA 82 H ALA 82 4.673 3.799 -4.674 594 HA ALA 82 HA ALA 82 3.858 2.165 -2.524 595 HB1 ALA 82 HB1 ALA 82 5.905 1.742 -3.799 596 HB2 ALA 82 HB2 ALA 82 6.258 1.843 -2.073 597 HB3 ALA 82 HB3 ALA 82 6.642 3.200 -3.139 598 H SER 83 H SER 83 4.928 5.531 -2.552 599 HA SER 83 HA SER 83 5.474 5.991 0.159 600 HB2 SER 83 HB2 SER 83 4.168 7.896 -1.832 601 HB3 SER 83 HB3 SER 83 4.946 8.372 -0.317 602 HG SER 83 HG SER 83 6.365 8.621 -2.043 603 H ARG 84 H ARG 84 2.387 5.672 -1.473 604 HA ARG 84 HA ARG 84 0.742 6.923 0.521 605 HB2 ARG 84 HB2 ARG 84 0.306 6.664 -2.012 606 HB3 ARG 84 HB3 ARG 84 -0.173 5.008 -1.662 607 HG2 ARG 84 HG2 ARG 84 -2.034 5.785 -0.300 608 HG3 ARG 84 HG3 ARG 84 -1.494 7.462 -0.455 609 HD2 ARG 84 HD2 ARG 84 -2.515 5.674 -2.698 610 HD3 ARG 84 HD3 ARG 84 -3.363 7.046 -1.981 611 HE ARG 84 HE ARG 84 -1.201 8.287 -2.838 612 HH11 ARG 84 HH11 ARG 84 -3.016 5.892 -4.585 613 HH12 ARG 84 HH12 ARG 84 -2.553 6.522 -6.123 614 HH21 ARG 84 HH21 ARG 84 -0.640 9.057 -4.808 615 HH22 ARG 84 HH22 ARG 84 -1.236 8.308 -6.246 616 H TRP 85 H TRP 85 1.378 3.518 -0.382 617 HA TRP 85 HA TRP 85 -0.158 2.355 1.766 618 HB2 TRP 85 HB2 TRP 85 -0.051 0.771 0.099 619 HB3 TRP 85 HB3 TRP 85 1.492 1.354 -0.509 620 HD1 TRP 85 HD1 TRP 85 3.580 0.025 0.109 621 HE1 TRP 85 HE1 TRP 85 4.105 -1.971 1.609 622 HE3 TRP 85 HE3 TRP 85 -0.963 -0.557 2.337 623 HZ2 TRP 85 HZ2 TRP 85 2.782 -3.635 3.454 624 HZ3 TRP 85 HZ3 TRP 85 -1.269 -2.381 3.944 625 HH2 TRP 85 HH2 TRP 85 0.568 -3.894 4.492 626 H GLN 86 H GLN 86 3.375 2.644 1.178 627 HA GLN 86 HA GLN 86 4.422 1.489 3.424 628 HB2 GLN 86 HB2 GLN 86 5.760 2.226 1.529 629 HB3 GLN 86 HB3 GLN 86 5.488 3.907 1.937 630 HG2 GLN 86 HG2 GLN 86 7.759 2.902 2.522 631 HG3 GLN 86 HG3 GLN 86 6.943 3.835 3.791 632 HE21 GLN 86 HE21 GLN 86 7.790 2.911 5.556 633 HE22 GLN 86 HE22 GLN 86 7.693 1.232 5.962 634 H GLU 87 H GLU 87 3.240 4.843 3.143 635 HA GLU 87 HA GLU 87 4.021 5.804 5.680 636 HB2 GLU 87 HB2 GLU 87 3.277 7.306 3.877 637 HB3 GLU 87 HB3 GLU 87 1.653 6.630 3.942 638 HG2 GLU 87 HG2 GLU 87 1.310 7.570 6.176 639 HG3 GLU 87 HG3 GLU 87 2.976 8.155 6.212 640 H ALA 88 H ALA 88 1.011 4.187 4.632 641 HA ALA 88 HA ALA 88 -0.387 4.218 7.102 642 HB1 ALA 88 HB1 ALA 88 -0.603 2.199 4.848 643 HB2 ALA 88 HB2 ALA 88 -1.482 3.725 4.948 644 HB3 ALA 88 HB3 ALA 88 -1.790 2.453 6.134 645 H PHE 89 H PHE 89 2.020 1.959 5.787 646 HA PHE 89 HA PHE 89 1.901 -0.082 7.732 647 HB2 PHE 89 HB2 PHE 89 3.138 -0.459 5.675 648 HB3 PHE 89 HB3 PHE 89 4.207 0.902 5.999 649 HD1 PHE 89 HD2 PHE 89 3.235 -2.461 7.346 650 HD2 PHE 89 HD1 PHE 89 6.288 0.532 7.117 651 HE1 PHE 89 HE2 PHE 89 4.806 -3.963 8.489 652 HE2 PHE 89 HE1 PHE 89 7.846 -0.983 8.267 653 HZ PHE 89 HZ PHE 89 7.109 -3.231 8.952 654 H GLU 90 H GLU 90 4.019 2.806 7.596 655 HA GLU 90 HA GLU 90 5.224 2.427 10.164 656 HB2 GLU 90 HB2 GLU 90 5.057 4.874 8.365 657 HB3 GLU 90 HB3 GLU 90 6.060 4.773 9.814 658 HG2 GLU 90 HG2 GLU 90 7.371 2.965 8.840 659 HG3 GLU 90 HG3 GLU 90 6.316 2.920 7.425 660 H ALA 91 H ALA 91 2.292 4.044 9.130 661 HA ALA 91 HA ALA 91 1.695 5.290 11.677 662 HB1 ALA 91 HB1 ALA 91 -0.501 5.784 10.667 663 HB2 ALA 91 HB2 ALA 91 -0.124 4.726 9.303 664 HB3 ALA 91 HB3 ALA 91 0.809 6.202 9.558 665 H GLY 92 H GLY 92 1.470 2.093 10.448 666 HA2 GLY 92 HA2 GLY 92 1.050 0.165 11.690 667 HA3 GLY 92 HA3 GLY 92 0.250 1.124 12.922 668 H MET 93 H MET 93 -1.344 2.296 10.443 669 HA MET 93 HA MET 93 -3.635 0.577 10.995 670 HB2 MET 93 HB2 MET 93 -4.969 2.411 10.016 671 HB3 MET 93 HB3 MET 93 -3.871 2.995 11.253 672 HG2 MET 93 HG2 MET 93 -3.775 4.625 9.548 673 HG3 MET 93 HG3 MET 93 -2.304 3.677 9.343 674 HE1 MET 93 HE1 MET 93 -6.013 3.214 6.612 675 HE2 MET 93 HE2 MET 93 -5.951 4.352 7.957 676 HE3 MET 93 HE3 MET 93 -5.978 2.614 8.269 677 H ALA 94 H ALA 94 -1.313 0.243 8.804 678 HA ALA 94 HA ALA 94 -2.313 0.126 6.247 679 HB1 ALA 94 HB1 ALA 94 -0.248 -1.707 7.489 680 HB2 ALA 94 HB2 ALA 94 0.050 -0.103 6.820 681 HB3 ALA 94 HB3 ALA 94 -0.466 -1.411 5.767 682 HA PRO 95 HA PRO 95 -5.003 -3.615 6.240 683 HB2 PRO 95 HB2 PRO 95 -5.872 -3.429 3.693 684 HB3 PRO 95 HB3 PRO 95 -6.383 -2.248 4.909 685 HG2 PRO 95 HG2 PRO 95 -4.180 -2.003 2.851 686 HG3 PRO 95 HG3 PRO 95 -5.483 -0.851 3.224 687 HD2 PRO 95 HD2 PRO 95 -2.962 -0.608 4.263 688 HD3 PRO 95 HD3 PRO 95 -4.414 -0.062 5.135 689 HA PRO 96 HA PRO 96 -2.582 -6.852 3.960 690 HB2 PRO 96 HB2 PRO 96 -4.596 -8.306 2.707 691 HB3 PRO 96 HB3 PRO 96 -4.119 -8.515 4.397 692 HG2 PRO 96 HG2 PRO 96 -6.398 -6.893 3.260 693 HG3 PRO 96 HG3 PRO 96 -6.401 -7.991 4.658 694 HD2 PRO 96 HD2 PRO 96 -6.265 -5.329 5.003 695 HD3 PRO 96 HD3 PRO 96 -5.332 -6.421 6.052 696 H VAL 97 H VAL 97 -1.428 -6.414 2.153 697 HA VAL 97 HA VAL 97 -2.721 -5.200 -0.216 698 HB VAL 97 HB VAL 97 -0.937 -3.812 0.747 699 HG11 VAL 97 HG11 VAL 97 1.423 -4.502 0.807 700 HG12 VAL 97 HG12 VAL 97 0.979 -6.119 0.248 701 HG13 VAL 97 HG13 VAL 97 0.432 -5.550 1.828 702 HG21 VAL 97 HG21 VAL 97 -1.242 -3.714 -1.694 703 HG22 VAL 97 HG22 VAL 97 -0.073 -5.019 -1.910 704 HG23 VAL 97 HG23 VAL 97 0.456 -3.461 -1.270 705 H VAL 98 H VAL 98 -2.629 -6.221 -2.199 706 HA VAL 98 HA VAL 98 -2.036 -9.001 -2.315 707 HB VAL 98 HB VAL 98 -3.843 -8.159 -3.648 708 HG11 VAL 98 HG11 VAL 98 -3.060 -5.871 -4.046 709 HG12 VAL 98 HG12 VAL 98 -3.575 -6.626 -5.556 710 HG13 VAL 98 HG13 VAL 98 -1.854 -6.463 -5.191 711 HG21 VAL 98 HG21 VAL 98 -3.348 -9.140 -5.861 712 HG22 VAL 98 HG22 VAL 98 -2.688 -10.133 -4.560 713 HG23 VAL 98 HG23 VAL 98 -1.618 -9.092 -5.503 714 H LEU 99 H LEU 99 -0.015 -9.675 -2.093 715 HA LEU 99 HA LEU 99 2.417 -8.481 -2.798 716 HB2 LEU 99 HB2 LEU 99 1.711 -11.422 -2.418 717 HB3 LEU 99 HB3 LEU 99 3.359 -10.821 -2.507 718 HG LEU 99 HG LEU 99 1.378 -9.997 -0.329 719 HD11 LEU 99 HD11 LEU 99 3.604 -12.060 -0.163 720 HD12 LEU 99 HD12 LEU 99 1.873 -12.407 -0.160 721 HD13 LEU 99 HD13 LEU 99 2.588 -11.501 1.172 722 HD21 LEU 99 HD21 LEU 99 4.371 -9.571 -0.569 723 HD22 LEU 99 HD22 LEU 99 3.358 -9.113 0.804 724 HD23 LEU 99 HD23 LEU 99 3.121 -8.336 -0.759 725 H GLN 100 H GLN 100 0.426 -10.767 -4.636 726 HA GLN 100 HA GLN 100 2.378 -11.205 -6.722 727 HB2 GLN 100 HB2 GLN 100 0.609 -12.625 -7.745 728 HB3 GLN 100 HB3 GLN 100 0.923 -13.022 -6.061 729 HG2 GLN 100 HG2 GLN 100 -1.119 -11.660 -5.447 730 HG3 GLN 100 HG3 GLN 100 -1.464 -11.516 -7.169 731 HE21 GLN 100 HE21 GLN 100 -2.084 -13.415 -8.316 732 HE22 GLN 100 HE22 GLN 100 -2.691 -14.802 -7.491 733 H SER 101 H SER 101 0.637 -8.489 -6.204 734 HA SER 101 HA SER 101 0.477 -7.855 -9.109 735 HB2 SER 101 HB2 SER 101 -1.729 -7.700 -8.026 736 HB3 SER 101 HB3 SER 101 -1.086 -6.570 -6.836 737 HG SER 101 HG SER 101 -0.624 -5.146 -8.610 738 H THR 102 H THR 102 1.824 -6.905 -6.002 739 HA THR 102 HA THR 102 2.795 -4.333 -6.762 740 HB THR 102 HB THR 102 4.425 -4.739 -4.765 741 HG1 THR 102 HG1 THR 102 3.859 -7.172 -5.005 742 HG21 THR 102 HG21 THR 102 2.666 -4.394 -3.083 743 HG22 THR 102 HG22 THR 102 1.439 -4.902 -4.248 744 HG23 THR 102 HG23 THR 102 2.360 -3.415 -4.524 745 H GLU 103 H GLU 103 4.238 -3.988 -8.366 746 HA GLU 103 HA GLU 103 6.073 -5.867 -9.425 747 HB2 GLU 103 HB2 GLU 103 6.049 -2.824 -9.612 748 HB3 GLU 103 HB3 GLU 103 7.173 -3.836 -10.505 749 HG2 GLU 103 HG2 GLU 103 5.463 -3.250 -12.028 750 HG3 GLU 103 HG3 GLU 103 5.188 -4.939 -11.609 751 H LYS 104 H LYS 104 8.483 -5.765 -9.394 752 HA LYS 104 HA LYS 104 9.638 -5.493 -6.800 753 HB2 LYS 104 HB2 LYS 104 10.402 -6.901 -8.928 754 HB3 LYS 104 HB3 LYS 104 11.342 -5.469 -9.310 755 HG2 LYS 104 HG2 LYS 104 11.583 -7.036 -6.715 756 HG3 LYS 104 HG3 LYS 104 12.611 -7.284 -8.124 757 HD2 LYS 104 HD2 LYS 104 13.487 -4.992 -7.920 758 HD3 LYS 104 HD3 LYS 104 12.410 -4.679 -6.559 759 HE2 LYS 104 HE2 LYS 104 14.642 -5.131 -5.729 760 HE3 LYS 104 HE3 LYS 104 13.574 -6.457 -5.266 761 HZ1 LYS 104 HZ1 LYS 104 15.486 -6.478 -7.544 762 HZ2 LYS 104 HZ2 LYS 104 14.459 -7.750 -7.112 763 HZ3 LYS 104 HZ3 LYS 104 15.692 -7.273 -6.063 764 H SER 105 H SER 105 9.282 -3.280 -9.507 765 HA SER 105 HA SER 105 10.981 -1.167 -8.739 766 HB2 SER 105 HB2 SER 105 9.881 -1.243 -10.937 767 HB3 SER 105 HB3 SER 105 8.304 -1.038 -10.179 768 HG SER 105 HG SER 105 9.196 0.914 -11.041 769 H ALA 106 H ALA 106 7.786 -2.090 -7.505 770 HA ALA 106 HA ALA 106 7.282 0.159 -5.847 771 HB1 ALA 106 HB1 ALA 106 6.431 -2.721 -5.408 772 HB2 ALA 106 HB2 ALA 106 5.561 -1.526 -6.375 773 HB3 ALA 106 HB3 ALA 106 5.727 -1.297 -4.632 774 H LEU 107 H LEU 107 9.013 -2.879 -5.262 775 HA LEU 107 HA LEU 107 9.620 -2.599 -2.505 776 HB2 LEU 107 HB2 LEU 107 10.755 -4.313 -4.727 777 HB3 LEU 107 HB3 LEU 107 11.492 -4.342 -3.138 778 HG LEU 107 HG LEU 107 9.365 -5.162 -2.150 779 HD11 LEU 107 HD11 LEU 107 7.526 -5.944 -3.541 780 HD12 LEU 107 HD12 LEU 107 8.302 -5.287 -4.986 781 HD13 LEU 107 HD13 LEU 107 7.743 -4.202 -3.708 782 HD21 LEU 107 HD21 LEU 107 10.392 -6.841 -4.464 783 HD22 LEU 107 HD22 LEU 107 9.457 -7.442 -3.089 784 HD23 LEU 107 HD23 LEU 107 11.067 -6.775 -2.833 785 H ARG 108 H ARG 108 10.683 -0.495 -4.709 786 HA ARG 108 HA ARG 108 13.468 -0.239 -3.775 787 HB2 ARG 108 HB2 ARG 108 11.986 1.314 -5.943 788 HB3 ARG 108 HB3 ARG 108 13.712 1.407 -5.594 789 HG2 ARG 108 HG2 ARG 108 13.933 -1.002 -6.250 790 HG3 ARG 108 HG3 ARG 108 12.216 -1.015 -6.665 791 HD2 ARG 108 HD2 ARG 108 13.499 -0.728 -8.690 792 HD3 ARG 108 HD3 ARG 108 12.664 0.792 -8.347 793 HE ARG 108 HE ARG 108 15.398 0.563 -7.359 794 HH11 ARG 108 HH11 ARG 108 13.358 1.816 -9.867 795 HH12 ARG 108 HH12 ARG 108 14.582 2.879 -10.457 796 HH21 ARG 108 HH21 ARG 108 16.923 1.921 -8.141 797 HH22 ARG 108 HH22 ARG 108 16.576 2.926 -9.504 798 H TYR 109 H TYR 109 10.351 0.946 -3.187 799 HA TYR 109 HA TYR 109 11.308 3.308 -1.673 800 HB2 TYR 109 HB2 TYR 109 8.476 2.784 -2.678 801 HB3 TYR 109 HB3 TYR 109 9.102 4.282 -2.006 802 HD1 TYR 109 HD1 TYR 109 9.289 2.014 -4.974 803 HD2 TYR 109 HD2 TYR 109 10.140 5.932 -3.474 804 HE1 TYR 109 HE1 TYR 109 9.768 2.782 -7.256 805 HE2 TYR 109 HE2 TYR 109 10.629 6.696 -5.765 806 HH TYR 109 HH TYR 109 11.281 5.768 -7.939 807 H VAL 110 H VAL 110 8.960 0.580 -1.694 808 HA VAL 110 HA VAL 110 9.069 0.344 1.251 809 HB VAL 110 HB VAL 110 7.649 -1.834 0.775 810 HG11 VAL 110 HG11 VAL 110 5.561 -0.682 0.682 811 HG12 VAL 110 HG12 VAL 110 6.356 0.805 0.116 812 HG13 VAL 110 HG13 VAL 110 6.673 0.188 1.748 813 HG21 VAL 110 HG21 VAL 110 6.316 -1.808 -1.267 814 HG22 VAL 110 HG22 VAL 110 8.041 -1.960 -1.637 815 HG23 VAL 110 HG23 VAL 110 7.221 -0.404 -1.844 816 H SER 111 H SER 111 9.187 -2.206 1.823 817 HA SER 111 HA SER 111 11.059 -3.711 0.087 818 HB2 SER 111 HB2 SER 111 12.239 -3.180 2.183 819 HB3 SER 111 HB3 SER 111 10.895 -3.791 3.142 820 HG SER 111 HG SER 111 12.940 -5.154 2.413 821 H LEU 112 H LEU 112 10.513 -5.963 -0.082 822 HA LEU 112 HA LEU 112 7.912 -6.845 -0.079 823 HB2 LEU 112 HB2 LEU 112 9.578 -8.152 -1.174 824 HB3 LEU 112 HB3 LEU 112 10.506 -8.348 0.286 825 HG LEU 112 HG LEU 112 7.770 -9.632 0.217 826 HD11 LEU 112 HD11 LEU 112 10.164 -10.847 -1.199 827 HD12 LEU 112 HD12 LEU 112 8.693 -10.253 -1.973 828 HD13 LEU 112 HD13 LEU 112 8.615 -11.646 -0.896 829 HD21 LEU 112 HD21 LEU 112 9.066 -9.819 2.288 830 HD22 LEU 112 HD22 LEU 112 10.433 -10.515 1.406 831 HD23 LEU 112 HD23 LEU 112 8.916 -11.411 1.537 832 H ALA 113 H ALA 113 10.164 -6.880 2.664 833 HA ALA 113 HA ALA 113 8.673 -8.429 4.492 834 HB1 ALA 113 HB1 ALA 113 11.042 -7.847 4.800 835 HB2 ALA 113 HB2 ALA 113 10.098 -7.399 6.221 836 HB3 ALA 113 HB3 ALA 113 10.612 -6.158 5.070 837 H ASP 114 H ASP 114 8.473 -4.927 3.754 838 HA ASP 114 HA ASP 114 6.674 -4.216 5.852 839 HB2 ASP 114 HB2 ASP 114 7.058 -2.861 3.152 840 HB3 ASP 114 HB3 ASP 114 6.341 -2.130 4.587 841 H LEU 115 H LEU 115 6.257 -5.540 2.626 842 HA LEU 115 HA LEU 115 3.445 -5.037 2.331 843 HB2 LEU 115 HB2 LEU 115 5.104 -7.134 0.875 844 HB3 LEU 115 HB3 LEU 115 3.605 -6.387 0.330 845 HG LEU 115 HG LEU 115 6.328 -5.047 0.545 846 HD11 LEU 115 HD11 LEU 115 4.691 -5.782 -1.883 847 HD12 LEU 115 HD12 LEU 115 6.215 -6.512 -1.360 848 HD13 LEU 115 HD13 LEU 115 6.180 -4.826 -1.886 849 HD21 LEU 115 HD21 LEU 115 5.300 -3.085 -0.486 850 HD22 LEU 115 HD22 LEU 115 4.617 -3.434 1.098 851 HD23 LEU 115 HD23 LEU 115 3.708 -3.842 -0.361 852 H GLN 116 H GLN 116 5.375 -7.976 2.941 853 HA GLN 116 HA GLN 116 3.241 -9.788 3.340 854 HB2 GLN 116 HB2 GLN 116 6.124 -10.047 4.279 855 HB3 GLN 116 HB3 GLN 116 4.977 -11.362 4.106 856 HG2 GLN 116 HG2 GLN 116 4.958 -10.291 1.570 857 HG3 GLN 116 HG3 GLN 116 6.611 -9.979 2.064 858 HE21 GLN 116 HE21 GLN 116 5.640 -11.790 -0.012 859 HE22 GLN 116 HE22 GLN 116 6.238 -13.354 0.398 860 H ALA 117 H ALA 117 4.910 -7.661 5.565 861 HA ALA 117 HA ALA 117 4.268 -8.692 8.061 862 HB1 ALA 117 HB1 ALA 117 5.632 -6.673 7.711 863 HB2 ALA 117 HB2 ALA 117 4.366 -6.394 8.911 864 HB3 ALA 117 HB3 ALA 117 4.186 -5.765 7.269 865 H HIS 118 H HIS 118 2.065 -7.027 5.819 866 HA HIS 118 HA HIS 118 -0.214 -7.467 7.687 867 HB2 HIS 118 HB2 HIS 118 0.155 -5.327 5.554 868 HB3 HIS 118 HB3 HIS 118 -1.373 -5.618 6.384 869 HD1 HIS 118 HD1 HIS 118 -1.681 -4.514 8.613 870 HD2 HIS 118 HD2 HIS 118 2.264 -4.366 7.320 871 HE1 HIS 118 HE1 HIS 118 -0.488 -3.066 10.277 872 HE2 HIS 118 HE2 HIS 118 1.930 -3.205 9.610 873 H ALA 119 H ALA 119 1.032 -8.197 4.510 874 HA ALA 119 HA ALA 119 -1.497 -9.073 3.362 875 HB1 ALA 119 HB1 ALA 119 1.355 -9.396 2.368 876 HB2 ALA 119 HB2 ALA 119 0.260 -8.073 1.958 877 HB3 ALA 119 HB3 ALA 119 -0.111 -9.717 1.435 878 H LEU 120 H LEU 120 1.085 -10.450 5.193 879 HA LEU 120 HA LEU 120 1.677 -12.428 5.983 880 HB2 LEU 120 HB2 LEU 120 -1.193 -13.089 5.333 881 HB3 LEU 120 HB3 LEU 120 -0.122 -14.368 5.870 882 HG LEU 120 HG LEU 120 -1.392 -13.529 7.772 883 HD11 LEU 120 HD11 LEU 120 1.497 -12.629 7.970 884 HD12 LEU 120 HD12 LEU 120 0.895 -14.268 8.221 885 HD13 LEU 120 HD13 LEU 120 0.416 -12.980 9.325 886 HD21 LEU 120 HD21 LEU 120 -1.217 -11.219 8.589 887 HD22 LEU 120 HD22 LEU 120 -1.913 -11.275 6.970 888 HD23 LEU 120 HD23 LEU 120 -0.230 -10.788 7.186 889 HA PRO 121 HA PRO 121 3.679 -14.343 2.564 890 HB2 PRO 121 HB2 PRO 121 4.718 -16.495 4.304 891 HB3 PRO 121 HB3 PRO 121 5.567 -15.115 3.610 892 HG2 PRO 121 HG2 PRO 121 5.068 -15.306 6.268 893 HG3 PRO 121 HG3 PRO 121 5.131 -13.744 5.422 894 HD2 PRO 121 HD2 PRO 121 2.699 -15.371 6.207 895 HD3 PRO 121 HD3 PRO 121 3.007 -13.631 6.409 896 H VAL 122 H VAL 122 0.929 -15.621 3.490 897 HA VAL 122 HA VAL 122 -0.561 -17.059 2.654 898 HB VAL 122 HB VAL 122 1.431 -17.376 0.375 899 HG11 VAL 122 HG11 VAL 122 -0.508 -18.100 -1.002 900 HG12 VAL 122 HG12 VAL 122 -1.533 -18.081 0.435 901 HG13 VAL 122 HG13 VAL 122 -0.191 -19.223 0.324 902 HG21 VAL 122 HG21 VAL 122 0.081 -15.658 -0.787 903 HG22 VAL 122 HG22 VAL 122 0.747 -15.024 0.719 904 HG23 VAL 122 HG23 VAL 122 -0.954 -15.494 0.634 905 H LEU 123 H LEU 123 -0.919 -18.818 3.873 906 HA LEU 123 HA LEU 123 1.006 -20.770 4.608 907 HB2 LEU 123 HB2 LEU 123 -0.930 -20.079 5.986 908 HB3 LEU 123 HB3 LEU 123 -2.032 -20.828 4.855 909 HG LEU 123 HG LEU 123 0.023 -22.611 6.190 910 HD11 LEU 123 HD11 LEU 123 -2.486 -21.673 7.618 911 HD12 LEU 123 HD12 LEU 123 -0.826 -21.286 8.079 912 HD13 LEU 123 HD13 LEU 123 -1.393 -22.951 8.160 913 HD21 LEU 123 HD21 LEU 123 -1.499 -23.587 4.509 914 HD22 LEU 123 HD22 LEU 123 -2.895 -23.058 5.450 915 HD23 LEU 123 HD23 LEU 123 -1.795 -24.273 6.106 916 H GLU 124 H GLU 124 -1.010 -20.597 1.800 917 HA GLU 124 HA GLU 124 -1.387 -23.315 1.154 918 HB2 GLU 124 HB2 GLU 124 -2.638 -21.527 0.035 919 HB3 GLU 124 HB3 GLU 124 -1.157 -20.886 -0.671 920 HG2 GLU 124 HG2 GLU 124 -0.912 -22.982 -2.004 921 HG3 GLU 124 HG3 GLU 124 -2.440 -23.564 -1.333 922 H HIS 125 H HIS 125 0.527 -24.449 1.569 923 HA HIS 125 HA HIS 125 2.423 -25.585 1.133 924 HB2 HIS 125 HB2 HIS 125 0.902 -26.491 -0.553 925 HB3 HIS 125 HB3 HIS 125 1.381 -25.246 -1.702 926 HD1 HIS 125 HD1 HIS 125 2.718 -28.366 -0.017 927 HD2 HIS 125 HD2 HIS 125 3.668 -25.822 -3.164 928 HE1 HIS 125 HE1 HIS 125 4.635 -29.454 -1.211 929 HE2 HIS 125 HE2 HIS 125 5.029 -28.015 -3.233 930 H HIS 126 H HIS 126 4.333 -24.586 1.664 931 HA HIS 126 HA HIS 126 5.700 -22.903 -0.342 932 HB2 HIS 126 HB2 HIS 126 6.546 -23.691 2.475 933 HB3 HIS 126 HB3 HIS 126 7.439 -22.597 1.419 934 HD1 HIS 126 HD1 HIS 126 5.081 -22.504 4.094 935 HD2 HIS 126 HD2 HIS 126 5.624 -20.277 0.628 936 HE1 HIS 126 HE1 HIS 126 3.834 -20.364 4.472 937 HE2 HIS 126 HE2 HIS 126 3.970 -19.160 2.273 938 H HIS 127 H HIS 127 6.522 -25.820 1.597 939 HA HIS 127 HA HIS 127 7.783 -27.119 -0.735 940 HB2 HIS 127 HB2 HIS 127 9.183 -26.431 1.874 941 HB3 HIS 127 HB3 HIS 127 9.691 -27.834 0.951 942 HD1 HIS 127 HD1 HIS 127 10.182 -24.214 1.182 943 HD2 HIS 127 HD2 HIS 127 10.739 -27.166 -1.686 944 HE1 HIS 127 HE1 HIS 127 11.792 -23.246 -0.480 945 HE2 HIS 127 HE2 HIS 127 12.293 -25.142 -2.040 946 H HIS 128 H HIS 128 8.701 -29.418 0.370 947 HA HIS 128 HA HIS 128 6.536 -30.601 2.026 948 HB2 HIS 128 HB2 HIS 128 8.837 -31.990 0.562 949 HB3 HIS 128 HB3 HIS 128 7.513 -32.789 1.407 950 HD1 HIS 128 HD1 HIS 128 5.154 -32.720 0.253 951 HD2 HIS 128 HD2 HIS 128 8.228 -31.085 -2.023 952 HE1 HIS 128 HE1 HIS 128 4.223 -32.481 -2.064 953 HE2 HIS 128 HE2 HIS 128 6.124 -31.591 -3.442 954 H HIS 129 H HIS 129 10.091 -30.658 1.775 955 HA HIS 129 HA HIS 129 10.446 -29.597 4.423 956 HB2 HIS 129 HB2 HIS 129 11.949 -31.424 5.251 957 HB3 HIS 129 HB3 HIS 129 10.270 -31.923 5.103 958 HD1 HIS 129 HD1 HIS 129 13.668 -32.589 3.736 959 HD2 HIS 129 HD2 HIS 129 9.779 -33.900 3.126 960 HE1 HIS 129 HE1 HIS 129 13.880 -34.679 2.375 961 HE2 HIS 129 HE2 HIS 129 11.537 -35.572 2.235 962 H HIS 130 H HIS 130 12.455 -28.575 4.636 963 HA HIS 130 HA HIS 130 14.179 -27.312 3.949 964 HB2 HIS 130 HB2 HIS 130 15.405 -29.389 3.448 965 HB3 HIS 130 HB3 HIS 130 14.673 -29.470 1.852 966 HD1 HIS 130 HD1 HIS 130 15.462 -27.597 0.111 967 HD2 HIS 130 HD2 HIS 130 17.708 -27.843 3.607 968 HE1 HIS 130 HE1 HIS 130 17.598 -26.371 -0.376 969 HE2 HIS 130 HE2 HIS 130 18.981 -26.626 1.706 Start of MODEL 8 1 H1 MET 1 H1 MET 1 3.235 -23.276 0.830 2 H2 MET 1 H2 MET 1 3.728 -23.418 -0.785 3 H3 MET 1 H3 MET 1 2.467 -24.376 -0.201 4 HA MET 1 HA MET 1 1.629 -22.580 -1.564 5 HB2 MET 1 HB2 MET 1 0.274 -23.481 0.325 6 HB3 MET 1 HB3 MET 1 0.969 -22.278 1.399 7 HG2 MET 1 HG2 MET 1 -0.115 -20.491 0.133 8 HG3 MET 1 HG3 MET 1 -0.775 -21.672 -1.005 9 HE1 MET 1 HE1 MET 1 -2.593 -19.499 0.596 10 HE2 MET 1 HE2 MET 1 -3.968 -20.524 1.012 11 HE3 MET 1 HE3 MET 1 -3.221 -20.648 -0.582 12 H GLY 2 H GLY 2 2.694 -20.890 -2.469 13 HA2 GLY 2 HA2 GLY 2 3.407 -18.695 -2.722 14 HA3 GLY 2 HA3 GLY 2 3.140 -18.415 -1.009 15 H GLN 3 H GLN 3 4.760 -19.635 0.433 16 HA GLN 3 HA GLN 3 7.446 -18.795 -0.267 17 HB2 GLN 3 HB2 GLN 3 6.468 -18.379 1.973 18 HB3 GLN 3 HB3 GLN 3 6.304 -20.111 2.242 19 HG2 GLN 3 HG2 GLN 3 8.795 -20.314 2.150 20 HG3 GLN 3 HG3 GLN 3 8.905 -18.561 1.988 21 HE21 GLN 3 HE21 GLN 3 9.968 -20.291 4.088 22 HE22 GLN 3 HE22 GLN 3 9.282 -19.743 5.568 23 H GLY 4 H GLY 4 8.785 -20.115 -1.415 24 HA2 GLY 4 HA2 GLY 4 9.419 -22.781 -0.492 25 HA3 GLY 4 HA3 GLY 4 8.633 -22.771 -2.062 26 H GLN 5 H GLN 5 11.591 -22.463 -0.411 27 HA GLN 5 HA GLN 5 13.001 -21.168 -2.678 28 HB2 GLN 5 HB2 GLN 5 13.778 -21.493 0.247 29 HB3 GLN 5 HB3 GLN 5 14.916 -20.949 -0.973 30 HG2 GLN 5 HG2 GLN 5 14.009 -19.087 0.351 31 HG3 GLN 5 HG3 GLN 5 13.629 -18.928 -1.363 32 HE21 GLN 5 HE21 GLN 5 12.282 -19.962 1.732 33 HE22 GLN 5 HE22 GLN 5 10.658 -19.528 1.367 34 H ASN 6 H ASN 6 15.071 -22.039 -3.376 35 HA ASN 6 HA ASN 6 15.320 -24.978 -3.139 36 HB2 ASN 6 HB2 ASN 6 16.539 -22.971 -5.071 37 HB3 ASN 6 HB3 ASN 6 17.045 -24.654 -5.018 38 HD21 ASN 6 HD21 ASN 6 13.748 -23.297 -4.750 39 HD22 ASN 6 HD22 ASN 6 13.150 -24.088 -6.158 40 H VAL 7 H VAL 7 17.852 -25.652 -3.368 41 HA VAL 7 HA VAL 7 18.892 -25.200 -0.749 42 HB VAL 7 HB VAL 7 20.679 -26.739 -1.280 43 HG11 VAL 7 HG11 VAL 7 18.123 -27.611 -2.684 44 HG12 VAL 7 HG12 VAL 7 18.458 -27.746 -0.958 45 HG13 VAL 7 HG13 VAL 7 19.396 -28.695 -2.113 46 HG21 VAL 7 HG21 VAL 7 21.432 -25.850 -3.455 47 HG22 VAL 7 HG22 VAL 7 19.952 -26.414 -4.227 48 HG23 VAL 7 HG23 VAL 7 21.115 -27.584 -3.598 49 H LEU 8 H LEU 8 19.439 -23.554 -3.709 50 HA LEU 8 HA LEU 8 21.985 -22.365 -3.210 51 HB2 LEU 8 HB2 LEU 8 19.692 -21.346 -4.948 52 HB3 LEU 8 HB3 LEU 8 21.328 -20.738 -4.968 53 HG LEU 8 HG LEU 8 21.144 -22.072 -6.895 54 HD11 LEU 8 HD11 LEU 8 22.756 -23.876 -6.624 55 HD12 LEU 8 HD12 LEU 8 22.562 -23.816 -4.872 56 HD13 LEU 8 HD13 LEU 8 23.248 -22.437 -5.734 57 HD21 LEU 8 HD21 LEU 8 20.325 -24.380 -6.991 58 HD22 LEU 8 HD22 LEU 8 19.086 -23.272 -6.407 59 HD23 LEU 8 HD23 LEU 8 19.932 -24.323 -5.268 60 H GLY 9 H GLY 9 18.718 -21.570 -2.261 61 HA2 GLY 9 HA2 GLY 9 18.139 -20.400 -0.303 62 HA3 GLY 9 HA3 GLY 9 19.662 -19.519 -0.373 63 H GLN 10 H GLN 10 19.917 -17.980 -2.152 64 HA GLN 10 HA GLN 10 17.843 -17.029 -3.783 65 HB2 GLN 10 HB2 GLN 10 17.271 -14.878 -2.757 66 HB3 GLN 10 HB3 GLN 10 16.806 -16.201 -1.700 67 HG2 GLN 10 HG2 GLN 10 18.510 -15.722 -0.135 68 HG3 GLN 10 HG3 GLN 10 19.414 -14.734 -1.277 69 HE21 GLN 10 HE21 GLN 10 18.722 -12.618 -1.683 70 HE22 GLN 10 HE22 GLN 10 17.625 -11.796 -0.638 71 H ASP 11 H ASP 11 18.363 -14.866 -4.773 72 HA ASP 11 HA ASP 11 21.049 -13.831 -4.630 73 HB2 ASP 11 HB2 ASP 11 21.620 -14.379 -7.022 74 HB3 ASP 11 HB3 ASP 11 21.506 -15.802 -5.988 75 H LEU 12 H LEU 12 20.471 -11.702 -4.520 76 HA LEU 12 HA LEU 12 18.511 -10.625 -6.486 77 HB2 LEU 12 HB2 LEU 12 19.085 -9.639 -3.667 78 HB3 LEU 12 HB3 LEU 12 17.993 -8.858 -4.806 79 HG LEU 12 HG LEU 12 17.626 -11.628 -3.579 80 HD11 LEU 12 HD11 LEU 12 16.041 -9.085 -3.112 81 HD12 LEU 12 HD12 LEU 12 17.173 -9.838 -1.985 82 HD13 LEU 12 HD13 LEU 12 15.690 -10.676 -2.429 83 HD21 LEU 12 HD21 LEU 12 15.802 -10.186 -5.543 84 HD22 LEU 12 HD22 LEU 12 15.436 -11.703 -4.717 85 HD23 LEU 12 HD23 LEU 12 16.762 -11.633 -5.872 86 H GLU 13 H GLU 13 20.522 -10.648 -7.795 87 HA GLU 13 HA GLU 13 21.646 -7.914 -7.874 88 HB2 GLU 13 HB2 GLU 13 23.282 -10.479 -8.227 89 HB3 GLU 13 HB3 GLU 13 23.866 -8.867 -8.632 90 HG2 GLU 13 HG2 GLU 13 23.742 -8.181 -6.301 91 HG3 GLU 13 HG3 GLU 13 23.018 -9.724 -5.850 92 H VAL 14 H VAL 14 22.209 -7.214 -10.045 93 HA VAL 14 HA VAL 14 21.803 -8.818 -12.369 94 HB VAL 14 HB VAL 14 19.455 -8.676 -11.674 95 HG11 VAL 14 HG11 VAL 14 19.471 -6.574 -10.433 96 HG12 VAL 14 HG12 VAL 14 18.199 -6.552 -11.655 97 HG13 VAL 14 HG13 VAL 14 19.696 -5.658 -11.926 98 HG21 VAL 14 HG21 VAL 14 19.971 -7.094 -14.225 99 HG22 VAL 14 HG22 VAL 14 18.462 -7.910 -13.803 100 HG23 VAL 14 HG23 VAL 14 19.927 -8.855 -14.079 101 H CYS 15 H CYS 15 22.286 -7.791 -14.313 102 HA CYS 15 HA CYS 15 22.973 -4.942 -14.377 103 HB2 CYS 15 HB2 CYS 15 24.983 -7.154 -14.963 104 HB3 CYS 15 HB3 CYS 15 25.256 -5.435 -15.266 105 HG CYS 15 HG CYS 15 24.736 -4.958 -12.377 106 H CYS 16 H CYS 16 21.328 -7.333 -15.807 107 HA CYS 16 HA CYS 16 20.703 -8.106 -17.815 108 HB2 CYS 16 HB2 CYS 16 19.877 -5.840 -18.165 109 HB3 CYS 16 HB3 CYS 16 21.453 -5.326 -18.757 110 HG CYS 16 HG CYS 16 20.009 -5.443 -21.018 111 H CYS 17 H CYS 17 21.541 -9.528 -19.236 112 HA CYS 17 HA CYS 17 22.790 -10.565 -20.797 113 HB2 CYS 17 HB2 CYS 17 24.431 -8.023 -20.992 114 HB3 CYS 17 HB3 CYS 17 24.588 -9.400 -22.081 115 HG CYS 17 HG CYS 17 22.042 -7.161 -21.838 116 H ALA 18 H ALA 18 24.721 -8.985 -18.281 117 HA ALA 18 HA ALA 18 27.026 -10.628 -18.394 118 HB1 ALA 18 HB1 ALA 18 26.994 -8.407 -17.326 119 HB2 ALA 18 HB2 ALA 18 27.548 -9.635 -16.188 120 HB3 ALA 18 HB3 ALA 18 25.900 -9.004 -16.078 121 HA PRO 19 HA PRO 19 25.702 -14.326 -16.045 122 HB2 PRO 19 HB2 PRO 19 28.440 -14.452 -14.850 123 HB3 PRO 19 HB3 PRO 19 27.612 -15.625 -15.883 124 HG2 PRO 19 HG2 PRO 19 29.649 -14.147 -16.828 125 HG3 PRO 19 HG3 PRO 19 28.254 -14.547 -17.855 126 HD2 PRO 19 HD2 PRO 19 28.832 -11.972 -16.369 127 HD3 PRO 19 HD3 PRO 19 28.284 -12.203 -18.046 128 H MET 20 H MET 20 26.187 -15.249 -13.653 129 HA MET 20 HA MET 20 25.853 -15.148 -11.417 130 HB2 MET 20 HB2 MET 20 26.587 -12.197 -11.590 131 HB3 MET 20 HB3 MET 20 26.425 -13.115 -10.096 132 HG2 MET 20 HG2 MET 20 28.347 -14.482 -10.671 133 HG3 MET 20 HG3 MET 20 28.454 -13.733 -12.268 134 HE1 MET 20 HE1 MET 20 29.166 -11.195 -12.674 135 HE2 MET 20 HE2 MET 20 29.574 -10.066 -11.376 136 HE3 MET 20 HE3 MET 20 27.914 -10.624 -11.571 137 H THR 21 H THR 21 23.959 -13.466 -13.597 138 HA THR 21 HA THR 21 21.689 -13.332 -11.714 139 HB THR 21 HB THR 21 22.307 -11.025 -12.036 140 HG1 THR 21 HG1 THR 21 20.212 -10.838 -12.069 141 HG21 THR 21 HG21 THR 21 23.626 -11.141 -14.120 142 HG22 THR 21 HG22 THR 21 22.387 -9.889 -14.230 143 HG23 THR 21 HG23 THR 21 22.153 -11.435 -15.049 144 H GLY 22 H GLY 22 20.176 -14.738 -12.347 145 HA2 GLY 22 HA2 GLY 22 19.181 -15.049 -14.997 146 HA3 GLY 22 HA3 GLY 22 20.335 -16.329 -14.646 147 H TRP 23 H TRP 23 19.487 -16.295 -11.739 148 HA TRP 23 HA TRP 23 17.300 -18.164 -11.925 149 HB2 TRP 23 HB2 TRP 23 19.158 -18.414 -10.281 150 HB3 TRP 23 HB3 TRP 23 18.612 -16.963 -9.452 151 HD1 TRP 23 HD1 TRP 23 16.551 -17.235 -7.767 152 HE1 TRP 23 HE1 TRP 23 15.300 -19.269 -6.829 153 HE3 TRP 23 HE3 TRP 23 18.331 -20.820 -10.956 154 HZ2 TRP 23 HZ2 TRP 23 15.083 -22.024 -7.362 155 HZ3 TRP 23 HZ3 TRP 23 17.547 -23.138 -10.676 156 HH2 TRP 23 HH2 TRP 23 15.956 -23.727 -8.913 157 H TYR 24 H TYR 24 17.472 -15.235 -9.770 158 HA TYR 24 HA TYR 24 14.617 -14.746 -10.132 159 HB2 TYR 24 HB2 TYR 24 16.741 -13.230 -8.568 160 HB3 TYR 24 HB3 TYR 24 15.057 -12.718 -8.650 161 HD1 TYR 24 HD1 TYR 24 13.298 -14.701 -8.066 162 HD2 TYR 24 HD2 TYR 24 17.336 -14.519 -6.688 163 HE1 TYR 24 HE1 TYR 24 12.728 -16.174 -6.182 164 HE2 TYR 24 HE2 TYR 24 16.762 -15.986 -4.816 165 HH TYR 24 HH TYR 24 13.951 -17.781 -4.670 166 H ARG 25 H ARG 25 17.556 -12.806 -10.716 167 HA ARG 25 HA ARG 25 18.238 -11.347 -12.274 168 HB2 ARG 25 HB2 ARG 25 17.260 -12.995 -13.919 169 HB3 ARG 25 HB3 ARG 25 15.787 -12.034 -13.931 170 HG2 ARG 25 HG2 ARG 25 17.162 -10.074 -14.753 171 HG3 ARG 25 HG3 ARG 25 18.543 -11.171 -14.878 172 HD2 ARG 25 HD2 ARG 25 15.940 -11.271 -16.433 173 HD3 ARG 25 HD3 ARG 25 17.557 -10.979 -17.071 174 HE ARG 25 HE ARG 25 16.341 -13.528 -16.427 175 HH11 ARG 25 HH11 ARG 25 19.400 -11.998 -17.016 176 HH12 ARG 25 HH12 ARG 25 20.148 -13.478 -17.487 177 HH21 ARG 25 HH21 ARG 25 17.318 -15.366 -17.036 178 HH22 ARG 25 HH22 ARG 25 18.976 -15.366 -17.517 179 H ASN 26 H ASN 26 14.652 -10.971 -12.177 180 HA ASN 26 HA ASN 26 13.265 -9.341 -11.438 181 HB2 ASN 26 HB2 ASN 26 15.729 -7.888 -10.359 182 HB3 ASN 26 HB3 ASN 26 14.053 -7.518 -9.962 183 HD21 ASN 26 HD21 ASN 26 16.702 -9.709 -9.429 184 HD22 ASN 26 HD22 ASN 26 16.000 -10.567 -8.108 185 H GLY 27 H GLY 27 15.063 -9.106 -14.037 186 HA2 GLY 27 HA2 GLY 27 14.910 -7.884 -15.974 187 HA3 GLY 27 HA3 GLY 27 13.534 -7.067 -15.266 188 H PHE 28 H PHE 28 16.862 -7.016 -14.056 189 HA PHE 28 HA PHE 28 18.371 -5.432 -13.612 190 HB2 PHE 28 HB2 PHE 28 18.596 -5.243 -16.041 191 HB3 PHE 28 HB3 PHE 28 17.296 -4.066 -16.101 192 HD1 PHE 28 HD2 PHE 28 20.511 -4.528 -14.200 193 HD2 PHE 28 HD1 PHE 28 18.022 -1.832 -16.400 194 HE1 PHE 28 HE2 PHE 28 22.165 -2.729 -13.885 195 HE2 PHE 28 HE1 PHE 28 19.679 -0.043 -16.081 196 HZ PHE 28 HZ PHE 28 21.753 -0.486 -14.823 197 H CYS 29 H CYS 29 15.929 -3.082 -14.771 198 HA CYS 29 HA CYS 29 15.750 -1.935 -12.053 199 HB2 CYS 29 HB2 CYS 29 14.859 -0.785 -14.732 200 HB3 CYS 29 HB3 CYS 29 14.674 0.024 -13.177 201 HG CYS 29 HG CYS 29 16.794 1.167 -14.662 202 H GLN 30 H GLN 30 13.192 -1.736 -14.487 203 HA GLN 30 HA GLN 30 11.444 -3.653 -13.073 204 HB2 GLN 30 HB2 GLN 30 10.706 -0.764 -13.764 205 HB3 GLN 30 HB3 GLN 30 9.492 -2.002 -13.482 206 HG2 GLN 30 HG2 GLN 30 9.626 -0.803 -11.481 207 HG3 GLN 30 HG3 GLN 30 10.489 -2.300 -11.172 208 HE21 GLN 30 HE21 GLN 30 11.910 0.418 -12.928 209 HE22 GLN 30 HE22 GLN 30 13.016 0.859 -11.690 210 H THR 31 H THR 31 11.445 -1.313 -15.717 211 HA THR 31 HA THR 31 11.321 -3.247 -17.836 212 HB THR 31 HB THR 31 8.935 -3.268 -17.317 213 HG1 THR 31 HG1 THR 31 8.593 -3.221 -19.385 214 HG21 THR 31 HG21 THR 31 7.511 -1.259 -17.330 215 HG22 THR 31 HG22 THR 31 8.923 -0.237 -17.594 216 HG23 THR 31 HG23 THR 31 8.750 -1.122 -16.077 217 H ASP 32 H ASP 32 10.877 0.128 -16.838 218 HA ASP 32 HA ASP 32 12.069 1.969 -17.129 219 HB2 ASP 32 HB2 ASP 32 14.027 0.286 -17.057 220 HB3 ASP 32 HB3 ASP 32 14.103 0.459 -18.807 221 H VAL 33 H VAL 33 11.828 3.722 -18.404 222 HA VAL 33 HA VAL 33 10.584 3.332 -21.050 223 HB VAL 33 HB VAL 33 10.641 5.868 -19.346 224 HG11 VAL 33 HG11 VAL 33 8.804 5.085 -21.647 225 HG12 VAL 33 HG12 VAL 33 10.058 6.324 -21.692 226 HG13 VAL 33 HG13 VAL 33 8.641 6.546 -20.668 227 HG21 VAL 33 HG21 VAL 33 8.386 5.256 -18.532 228 HG22 VAL 33 HG22 VAL 33 9.585 4.058 -18.045 229 HG23 VAL 33 HG23 VAL 33 8.488 3.713 -19.384 230 H GLN 34 H GLN 34 13.603 4.191 -19.818 231 HA GLN 34 HA GLN 34 15.544 4.962 -20.568 232 HB2 GLN 34 HB2 GLN 34 16.199 4.722 -22.759 233 HB3 GLN 34 HB3 GLN 34 14.708 3.798 -22.811 234 HG2 GLN 34 HG2 GLN 34 13.557 5.714 -23.838 235 HG3 GLN 34 HG3 GLN 34 15.036 6.664 -23.749 236 HE21 GLN 34 HE21 GLN 34 13.455 5.966 -26.084 237 HE22 GLN 34 HE22 GLN 34 14.515 5.120 -27.153 238 H ASP 35 H ASP 35 12.825 7.008 -21.653 239 HA ASP 35 HA ASP 35 14.381 9.450 -21.103 240 HB2 ASP 35 HB2 ASP 35 11.568 9.057 -22.235 241 HB3 ASP 35 HB3 ASP 35 12.351 10.619 -22.010 242 H ARG 36 H ARG 36 13.937 7.790 -18.906 243 HA ARG 36 HA ARG 36 13.427 7.783 -16.731 244 HB2 ARG 36 HB2 ARG 36 12.318 10.584 -17.168 245 HB3 ARG 36 HB3 ARG 36 12.548 9.830 -15.590 246 HG2 ARG 36 HG2 ARG 36 14.992 9.677 -16.038 247 HG3 ARG 36 HG3 ARG 36 14.745 10.489 -17.589 248 HD2 ARG 36 HD2 ARG 36 13.835 12.462 -16.360 249 HD3 ARG 36 HD3 ARG 36 14.198 11.647 -14.833 250 HE ARG 36 HE ARG 36 16.519 11.832 -16.489 251 HH11 ARG 36 HH11 ARG 36 14.572 13.723 -14.327 252 HH12 ARG 36 HH12 ARG 36 15.834 14.864 -14.031 253 HH21 ARG 36 HH21 ARG 36 18.104 13.298 -16.081 254 HH22 ARG 36 HH22 ARG 36 17.805 14.627 -15.016 255 H GLY 37 H GLY 37 11.781 7.300 -15.233 256 HA2 GLY 37 HA2 GLY 37 9.127 7.520 -15.148 257 HA3 GLY 37 HA3 GLY 37 9.282 6.371 -16.474 258 H SER 38 H SER 38 9.253 4.262 -15.912 259 HA SER 38 HA SER 38 9.469 2.287 -14.838 260 HB2 SER 38 HB2 SER 38 11.647 3.762 -13.319 261 HB3 SER 38 HB3 SER 38 11.383 2.025 -13.196 262 HG SER 38 HG SER 38 12.891 3.165 -14.920 263 H HIS 39 H HIS 39 7.836 4.638 -13.464 264 HA HIS 39 HA HIS 39 7.568 3.660 -10.728 265 HB2 HIS 39 HB2 HIS 39 6.064 5.890 -12.168 266 HB3 HIS 39 HB3 HIS 39 5.971 5.539 -10.444 267 HD1 HIS 39 HD1 HIS 39 7.270 8.077 -12.270 268 HD2 HIS 39 HD2 HIS 39 9.110 5.409 -9.673 269 HE1 HIS 39 HE1 HIS 39 9.392 9.200 -11.550 270 HE2 HIS 39 HE2 HIS 39 10.394 7.643 -9.854 271 H THR 40 H THR 40 6.783 1.554 -11.096 272 HA THR 40 HA THR 40 3.975 1.321 -12.032 273 HB THR 40 HB THR 40 5.276 0.520 -13.890 274 HG1 THR 40 HG1 THR 40 4.386 -1.755 -12.439 275 HG21 THR 40 HG21 THR 40 7.452 0.113 -12.825 276 HG22 THR 40 HG22 THR 40 6.941 -1.292 -13.763 277 HG23 THR 40 HG23 THR 40 6.794 -1.310 -12.006 278 H VAL 41 H VAL 41 2.914 0.914 -10.132 279 HA VAL 41 HA VAL 41 3.722 -1.410 -8.482 280 HB VAL 41 HB VAL 41 2.919 1.289 -7.270 281 HG11 VAL 41 HG11 VAL 41 3.690 -1.308 -5.866 282 HG12 VAL 41 HG12 VAL 41 2.073 -0.601 -5.929 283 HG13 VAL 41 HG13 VAL 41 3.365 0.235 -5.067 284 HG21 VAL 41 HG21 VAL 41 5.209 1.394 -6.316 285 HG22 VAL 41 HG22 VAL 41 5.244 1.398 -8.080 286 HG23 VAL 41 HG23 VAL 41 5.646 -0.075 -7.195 287 H CYS 42 H CYS 42 1.978 -2.758 -8.758 288 HA CYS 42 HA CYS 42 -0.772 -1.687 -8.490 289 HB2 CYS 42 HB2 CYS 42 0.177 -4.450 -9.364 290 HB3 CYS 42 HB3 CYS 42 -1.510 -3.953 -9.243 291 HG CYS 42 HG CYS 42 0.785 -3.191 -11.592 292 H ALA 43 H ALA 43 -1.306 -1.526 -6.403 293 HA ALA 43 HA ALA 43 -0.886 -3.779 -4.541 294 HB1 ALA 43 HB1 ALA 43 1.004 -2.232 -4.183 295 HB2 ALA 43 HB2 ALA 43 -0.077 -2.217 -2.791 296 HB3 ALA 43 HB3 ALA 43 -0.117 -0.888 -3.949 297 H GLU 44 H GLU 44 -2.442 -3.819 -2.794 298 HA GLU 44 HA GLU 44 -4.947 -2.404 -3.524 299 HB2 GLU 44 HB2 GLU 44 -4.543 -5.086 -2.120 300 HB3 GLU 44 HB3 GLU 44 -6.115 -4.340 -2.429 301 HG2 GLU 44 HG2 GLU 44 -5.702 -4.442 -4.842 302 HG3 GLU 44 HG3 GLU 44 -4.117 -5.158 -4.558 303 H MET 45 H MET 45 -5.263 -0.679 -2.228 304 HA MET 45 HA MET 45 -5.075 -1.122 0.706 305 HB2 MET 45 HB2 MET 45 -5.315 1.620 -0.632 306 HB3 MET 45 HB3 MET 45 -5.010 1.258 1.068 307 HG2 MET 45 HG2 MET 45 -2.857 0.045 0.238 308 HG3 MET 45 HG3 MET 45 -3.104 0.965 -1.246 309 HE1 MET 45 HE1 MET 45 -3.191 3.735 -1.218 310 HE2 MET 45 HE2 MET 45 -2.978 4.653 0.277 311 HE3 MET 45 HE3 MET 45 -4.407 3.640 0.061 312 H THR 46 H THR 46 -6.823 -0.790 2.030 313 HA THR 46 HA THR 46 -9.382 -1.362 0.754 314 HB THR 46 HB THR 46 -10.183 -1.833 3.085 315 HG1 THR 46 HG1 THR 46 -8.742 -1.683 4.808 316 HG21 THR 46 HG21 THR 46 -7.559 -3.215 2.412 317 HG22 THR 46 HG22 THR 46 -9.157 -3.691 1.830 318 HG23 THR 46 HG23 THR 46 -8.773 -3.808 3.550 319 H GLU 47 H GLU 47 -11.392 -0.417 1.767 320 HA GLU 47 HA GLU 47 -11.499 2.360 1.346 321 HB2 GLU 47 HB2 GLU 47 -13.409 0.659 1.129 322 HB3 GLU 47 HB3 GLU 47 -13.600 0.780 2.876 323 HG2 GLU 47 HG2 GLU 47 -13.977 3.248 2.603 324 HG3 GLU 47 HG3 GLU 47 -13.904 3.023 0.858 325 H GLU 48 H GLU 48 -11.090 0.492 4.288 326 HA GLU 48 HA GLU 48 -11.508 2.267 6.338 327 HB2 GLU 48 HB2 GLU 48 -10.878 -0.064 6.686 328 HB3 GLU 48 HB3 GLU 48 -9.314 0.197 5.932 329 HG2 GLU 48 HG2 GLU 48 -8.963 0.027 8.260 330 HG3 GLU 48 HG3 GLU 48 -8.705 1.709 7.806 331 H PHE 49 H PHE 49 -8.395 1.871 4.517 332 HA PHE 49 HA PHE 49 -7.214 4.152 5.821 333 HB2 PHE 49 HB2 PHE 49 -5.799 2.247 5.121 334 HB3 PHE 49 HB3 PHE 49 -6.140 2.610 3.426 335 HD1 PHE 49 HD2 PHE 49 -4.995 4.439 6.514 336 HD2 PHE 49 HD1 PHE 49 -4.483 3.882 2.306 337 HE1 PHE 49 HE2 PHE 49 -3.199 6.103 6.507 338 HE2 PHE 49 HE1 PHE 49 -2.689 5.563 2.313 339 HZ PHE 49 HZ PHE 49 -2.040 6.675 4.411 340 H LEU 50 H LEU 50 -8.722 3.645 2.604 341 HA LEU 50 HA LEU 50 -7.817 6.129 1.500 342 HB2 LEU 50 HB2 LEU 50 -9.897 4.106 0.684 343 HB3 LEU 50 HB3 LEU 50 -9.856 5.648 -0.122 344 HG LEU 50 HG LEU 50 -7.544 5.273 -0.862 345 HD11 LEU 50 HD11 LEU 50 -6.457 3.118 -0.617 346 HD12 LEU 50 HD12 LEU 50 -7.793 2.521 0.370 347 HD13 LEU 50 HD13 LEU 50 -6.771 3.832 0.964 348 HD21 LEU 50 HD21 LEU 50 -9.377 4.656 -2.344 349 HD22 LEU 50 HD22 LEU 50 -9.474 3.054 -1.608 350 HD23 LEU 50 HD23 LEU 50 -8.041 3.520 -2.529 351 H LEU 51 H LEU 51 -10.732 5.277 3.321 352 HA LEU 51 HA LEU 51 -11.911 7.896 3.261 353 HB2 LEU 51 HB2 LEU 51 -12.361 5.595 5.194 354 HB3 LEU 51 HB3 LEU 51 -13.280 7.089 5.214 355 HG LEU 51 HG LEU 51 -13.289 4.986 3.017 356 HD11 LEU 51 HD11 LEU 51 -15.487 5.898 4.902 357 HD12 LEU 51 HD12 LEU 51 -14.608 4.369 4.975 358 HD13 LEU 51 HD13 LEU 51 -15.658 4.711 3.604 359 HD21 LEU 51 HD21 LEU 51 -14.956 6.365 1.844 360 HD22 LEU 51 HD22 LEU 51 -13.415 7.207 1.974 361 HD23 LEU 51 HD23 LEU 51 -14.754 7.649 3.037 362 H PHE 52 H PHE 52 -9.463 6.361 5.302 363 HA PHE 52 HA PHE 52 -9.326 8.475 7.250 364 HB2 PHE 52 HB2 PHE 52 -8.484 6.208 7.746 365 HB3 PHE 52 HB3 PHE 52 -7.258 6.364 6.491 366 HD1 PHE 52 HD1 PHE 52 -8.429 8.376 9.457 367 HD2 PHE 52 HD2 PHE 52 -5.080 6.763 7.320 368 HE1 PHE 52 HE1 PHE 52 -6.899 9.366 11.100 369 HE2 PHE 52 HE2 PHE 52 -3.560 7.765 8.982 370 HZ PHE 52 HZ PHE 52 -4.466 9.066 10.868 371 H SER 53 H SER 53 -7.818 7.958 4.087 372 HA SER 53 HA SER 53 -5.636 9.780 4.344 373 HB2 SER 53 HB2 SER 53 -6.967 8.628 1.862 374 HB3 SER 53 HB3 SER 53 -5.504 9.614 1.817 375 HG SER 53 HG SER 53 -5.770 7.189 3.274 376 H ARG 54 H ARG 54 -8.972 10.227 3.306 377 HA ARG 54 HA ARG 54 -8.686 12.850 2.198 378 HB2 ARG 54 HB2 ARG 54 -11.134 12.948 2.242 379 HB3 ARG 54 HB3 ARG 54 -10.606 11.374 1.653 380 HG2 ARG 54 HG2 ARG 54 -11.017 10.437 3.932 381 HG3 ARG 54 HG3 ARG 54 -11.643 12.004 4.437 382 HD2 ARG 54 HD2 ARG 54 -13.458 11.817 2.788 383 HD3 ARG 54 HD3 ARG 54 -12.815 10.264 2.240 384 HE ARG 54 HE ARG 54 -13.162 9.888 4.915 385 HH11 ARG 54 HH11 ARG 54 -15.324 10.959 2.440 386 HH12 ARG 54 HH12 ARG 54 -16.705 10.264 3.206 387 HH21 ARG 54 HH21 ARG 54 -14.933 8.975 5.853 388 HH22 ARG 54 HH22 ARG 54 -16.484 9.151 5.108 389 H ASP 55 H ASP 55 -9.144 11.650 5.492 390 HA ASP 55 HA ASP 55 -9.756 14.209 6.689 391 HB2 ASP 55 HB2 ASP 55 -8.605 11.731 8.053 392 HB3 ASP 55 HB3 ASP 55 -9.442 13.072 8.833 393 H ARG 56 H ARG 56 -6.840 12.314 6.056 394 HA ARG 56 HA ARG 56 -5.013 14.141 7.377 395 HB2 ARG 56 HB2 ARG 56 -4.585 11.675 7.244 396 HB3 ARG 56 HB3 ARG 56 -4.439 11.801 5.493 397 HG2 ARG 56 HG2 ARG 56 -2.457 13.266 5.777 398 HG3 ARG 56 HG3 ARG 56 -2.610 13.126 7.530 399 HD2 ARG 56 HD2 ARG 56 -2.181 10.691 7.370 400 HD3 ARG 56 HD3 ARG 56 -2.060 10.828 5.608 401 HE ARG 56 HE ARG 56 -0.244 12.619 6.805 402 HH11 ARG 56 HH11 ARG 56 -0.593 9.209 6.438 403 HH12 ARG 56 HH12 ARG 56 1.116 8.945 6.438 404 HH21 ARG 56 HH21 ARG 56 1.927 12.239 6.774 405 HH22 ARG 56 HH22 ARG 56 2.506 10.616 6.604 406 H GLY 57 H GLY 57 -5.635 16.110 6.276 407 HA2 GLY 57 HA2 GLY 57 -4.328 17.643 4.847 408 HA3 GLY 57 HA3 GLY 57 -4.409 16.440 3.576 409 H ASN 58 H ASN 58 -6.571 15.978 2.629 410 HA ASN 58 HA ASN 58 -8.707 17.921 2.954 411 HB2 ASN 58 HB2 ASN 58 -8.610 18.802 0.630 412 HB3 ASN 58 HB3 ASN 58 -7.175 19.239 1.547 413 HD21 ASN 58 HD21 ASN 58 -5.189 18.165 1.065 414 HD22 ASN 58 HD22 ASN 58 -4.948 17.385 -0.457 415 H ASP 59 H ASP 59 -10.645 17.350 1.825 416 HA ASP 59 HA ASP 59 -10.873 14.466 1.369 417 HB2 ASP 59 HB2 ASP 59 -13.279 14.793 1.734 418 HB3 ASP 59 HB3 ASP 59 -12.341 15.518 3.030 419 H LEU 60 H LEU 60 -9.653 15.845 -0.803 420 HA LEU 60 HA LEU 60 -11.395 16.142 -3.038 421 HB2 LEU 60 HB2 LEU 60 -8.862 16.813 -2.757 422 HB3 LEU 60 HB3 LEU 60 -8.508 15.182 -3.275 423 HG LEU 60 HG LEU 60 -8.296 16.904 -5.085 424 HD11 LEU 60 HD11 LEU 60 -10.439 14.859 -5.695 425 HD12 LEU 60 HD12 LEU 60 -8.697 14.596 -5.755 426 HD13 LEU 60 HD13 LEU 60 -9.451 15.722 -6.879 427 HD21 LEU 60 HD21 LEU 60 -11.298 17.221 -4.828 428 HD22 LEU 60 HD22 LEU 60 -10.274 17.951 -6.069 429 HD23 LEU 60 HD23 LEU 60 -10.078 18.416 -4.382 430 H MET 61 H MET 61 -9.626 13.400 -1.663 431 HA MET 61 HA MET 61 -9.989 11.193 -1.546 432 HB2 MET 61 HB2 MET 61 -12.439 11.778 -1.499 433 HB3 MET 61 HB3 MET 61 -12.486 11.566 -3.243 434 HG2 MET 61 HG2 MET 61 -13.352 9.580 -2.190 435 HG3 MET 61 HG3 MET 61 -11.796 9.188 -2.931 436 HE1 MET 61 HE1 MET 61 -13.276 7.371 -0.703 437 HE2 MET 61 HE2 MET 61 -11.917 6.929 0.329 438 HE3 MET 61 HE3 MET 61 -11.732 6.915 -1.426 439 H THR 62 H THR 62 -10.950 12.119 -4.883 440 HA THR 62 HA THR 62 -9.778 10.010 -6.297 441 HB THR 62 HB THR 62 -10.260 12.893 -7.189 442 HG1 THR 62 HG1 THR 62 -12.262 12.189 -7.759 443 HG21 THR 62 HG21 THR 62 -8.753 11.768 -8.793 444 HG22 THR 62 HG22 THR 62 -10.355 11.994 -9.500 445 HG23 THR 62 HG23 THR 62 -9.872 10.406 -8.903 446 HA PRO 63 HA PRO 63 -5.376 11.292 -5.851 447 HB2 PRO 63 HB2 PRO 63 -4.214 9.160 -7.058 448 HB3 PRO 63 HB3 PRO 63 -4.950 9.023 -5.453 449 HG2 PRO 63 HG2 PRO 63 -6.115 8.257 -8.139 450 HG3 PRO 63 HG3 PRO 63 -6.107 7.332 -6.622 451 HD2 PRO 63 HD2 PRO 63 -8.275 8.801 -7.447 452 HD3 PRO 63 HD3 PRO 63 -7.896 8.526 -5.733 453 H ARG 64 H ARG 64 -3.465 11.451 -7.471 454 HA ARG 64 HA ARG 64 -2.460 12.228 -9.350 455 HB2 ARG 64 HB2 ARG 64 -4.976 11.261 -10.770 456 HB3 ARG 64 HB3 ARG 64 -3.553 11.873 -11.614 457 HG2 ARG 64 HG2 ARG 64 -2.202 10.032 -10.762 458 HG3 ARG 64 HG3 ARG 64 -3.551 9.448 -9.779 459 HD2 ARG 64 HD2 ARG 64 -4.818 8.856 -11.756 460 HD3 ARG 64 HD3 ARG 64 -3.633 9.640 -12.815 461 HE ARG 64 HE ARG 64 -2.259 7.709 -11.373 462 HH11 ARG 64 HH11 ARG 64 -4.815 7.711 -13.709 463 HH12 ARG 64 HH12 ARG 64 -4.365 6.163 -14.326 464 HH21 ARG 64 HH21 ARG 64 -1.721 5.771 -12.199 465 HH22 ARG 64 HH22 ARG 64 -2.640 5.092 -13.495 466 HA PRO 65 HA PRO 65 -4.125 16.441 -10.037 467 HB2 PRO 65 HB2 PRO 65 -2.597 17.330 -12.100 468 HB3 PRO 65 HB3 PRO 65 -1.921 17.065 -10.484 469 HG2 PRO 65 HG2 PRO 65 -1.821 15.254 -12.906 470 HG3 PRO 65 HG3 PRO 65 -0.504 15.717 -11.805 471 HD2 PRO 65 HD2 PRO 65 -1.852 13.345 -11.573 472 HD3 PRO 65 HD3 PRO 65 -1.162 14.193 -10.170 473 H GLU 66 H GLU 66 -5.517 14.148 -11.338 474 HA GLU 66 HA GLU 66 -6.814 15.480 -13.640 475 HB2 GLU 66 HB2 GLU 66 -6.371 12.493 -13.153 476 HB3 GLU 66 HB3 GLU 66 -7.311 13.166 -14.482 477 HG2 GLU 66 HG2 GLU 66 -5.354 14.133 -15.489 478 HG3 GLU 66 HG3 GLU 66 -4.369 13.769 -14.073 479 H PHE 67 H PHE 67 -9.046 15.700 -13.431 480 HA PHE 67 HA PHE 67 -10.166 15.014 -10.782 481 HB2 PHE 67 HB2 PHE 67 -9.936 17.442 -11.577 482 HB3 PHE 67 HB3 PHE 67 -11.202 17.103 -12.747 483 HD1 PHE 67 HD2 PHE 67 -10.487 17.035 -9.065 484 HD2 PHE 67 HD1 PHE 67 -13.486 17.392 -12.098 485 HE1 PHE 67 HE2 PHE 67 -12.162 17.581 -7.351 486 HE2 PHE 67 HE1 PHE 67 -15.152 17.940 -10.374 487 HZ PHE 67 HZ PHE 67 -14.495 18.036 -8.000 488 H ASN 68 H ASN 68 -10.389 13.851 -13.939 489 HA ASN 68 HA ASN 68 -13.243 13.406 -14.099 490 HB2 ASN 68 HB2 ASN 68 -10.951 12.364 -15.796 491 HB3 ASN 68 HB3 ASN 68 -12.640 11.990 -16.122 492 HD21 ASN 68 HD21 ASN 68 -13.656 14.635 -15.405 493 HD22 ASN 68 HD22 ASN 68 -13.158 15.691 -16.673 494 H PHE 69 H PHE 69 -13.656 12.360 -12.118 495 HA PHE 69 HA PHE 69 -14.402 10.644 -10.900 496 HB2 PHE 69 HB2 PHE 69 -13.794 8.989 -13.377 497 HB3 PHE 69 HB3 PHE 69 -14.657 8.365 -11.977 498 HD1 PHE 69 HD1 PHE 69 -16.746 9.853 -11.209 499 HD2 PHE 69 HD2 PHE 69 -15.110 9.831 -15.165 500 HE1 PHE 69 HE1 PHE 69 -18.877 10.697 -12.101 501 HE2 PHE 69 HE2 PHE 69 -17.248 10.676 -16.045 502 HZ PHE 69 HZ PHE 69 -19.131 11.110 -14.516 503 HA PRO 70 HA PRO 70 -10.847 8.761 -8.790 504 HB2 PRO 70 HB2 PRO 70 -12.197 7.113 -7.038 505 HB3 PRO 70 HB3 PRO 70 -12.043 8.861 -6.800 506 HG2 PRO 70 HG2 PRO 70 -14.355 7.301 -7.965 507 HG3 PRO 70 HG3 PRO 70 -14.384 8.636 -6.790 508 HD2 PRO 70 HD2 PRO 70 -14.910 9.036 -9.424 509 HD3 PRO 70 HD3 PRO 70 -14.094 10.268 -8.439 510 H GLY 71 H GLY 71 -10.020 7.641 -10.609 511 HA2 GLY 71 HA2 GLY 71 -11.007 5.218 -11.696 512 HA3 GLY 71 HA3 GLY 71 -9.361 5.818 -11.845 513 H LEU 72 H LEU 72 -8.555 5.829 -9.194 514 HA LEU 72 HA LEU 72 -8.419 2.972 -8.502 515 HB2 LEU 72 HB2 LEU 72 -6.830 5.325 -7.387 516 HB3 LEU 72 HB3 LEU 72 -6.604 3.645 -6.939 517 HG LEU 72 HG LEU 72 -4.843 4.026 -8.429 518 HD11 LEU 72 HD11 LEU 72 -6.068 1.989 -9.031 519 HD12 LEU 72 HD12 LEU 72 -5.251 2.706 -10.415 520 HD13 LEU 72 HD13 LEU 72 -6.997 2.895 -10.233 521 HD21 LEU 72 HD21 LEU 72 -4.975 5.224 -10.569 522 HD22 LEU 72 HD22 LEU 72 -5.469 6.246 -9.222 523 HD23 LEU 72 HD23 LEU 72 -6.689 5.551 -10.292 524 H LYS 73 H LYS 73 -10.212 2.407 -7.398 525 HA LYS 73 HA LYS 73 -11.117 3.983 -5.075 526 HB2 LYS 73 HB2 LYS 73 -12.436 1.481 -6.230 527 HB3 LYS 73 HB3 LYS 73 -13.118 2.594 -5.058 528 HG2 LYS 73 HG2 LYS 73 -14.250 3.226 -6.981 529 HG3 LYS 73 HG3 LYS 73 -12.908 4.368 -6.994 530 HD2 LYS 73 HD2 LYS 73 -13.202 3.494 -9.242 531 HD3 LYS 73 HD3 LYS 73 -11.688 2.866 -8.589 532 HE2 LYS 73 HE2 LYS 73 -12.868 0.729 -8.020 533 HE3 LYS 73 HE3 LYS 73 -14.324 1.354 -8.802 534 HZ1 LYS 73 HZ1 LYS 73 -12.996 1.537 -10.864 535 HZ2 LYS 73 HZ2 LYS 73 -13.142 -0.048 -10.298 536 HZ3 LYS 73 HZ3 LYS 73 -11.698 0.800 -10.067 537 H ALA 74 H ALA 74 -12.116 1.964 -3.454 538 HA ALA 74 HA ALA 74 -9.810 1.079 -2.048 539 HB1 ALA 74 HB1 ALA 74 -11.877 1.711 -0.928 540 HB2 ALA 74 HB2 ALA 74 -11.410 0.065 -0.498 541 HB3 ALA 74 HB3 ALA 74 -12.719 0.337 -1.657 542 H GLY 75 H GLY 75 -8.542 -0.529 -2.713 543 HA2 GLY 75 HA2 GLY 75 -8.045 -2.848 -2.766 544 HA3 GLY 75 HA3 GLY 75 -9.676 -3.193 -3.312 545 H ASP 76 H ASP 76 -8.691 -0.630 -5.155 546 HA ASP 76 HA ASP 76 -8.206 -2.250 -7.489 547 HB2 ASP 76 HB2 ASP 76 -8.246 0.759 -7.033 548 HB3 ASP 76 HB3 ASP 76 -7.892 0.040 -8.608 549 H ARG 77 H ARG 77 -6.311 -3.303 -7.565 550 HA ARG 77 HA ARG 77 -3.778 -2.099 -6.838 551 HB2 ARG 77 HB2 ARG 77 -2.816 -4.286 -7.734 552 HB3 ARG 77 HB3 ARG 77 -3.923 -4.426 -6.379 553 HG2 ARG 77 HG2 ARG 77 -5.728 -5.145 -7.897 554 HG3 ARG 77 HG3 ARG 77 -4.648 -4.969 -9.282 555 HD2 ARG 77 HD2 ARG 77 -3.207 -6.743 -8.428 556 HD3 ARG 77 HD3 ARG 77 -4.181 -6.872 -6.964 557 HE ARG 77 HE ARG 77 -6.049 -7.584 -8.478 558 HH11 ARG 77 HH11 ARG 77 -2.779 -8.089 -9.520 559 HH12 ARG 77 HH12 ARG 77 -3.185 -9.513 -10.414 560 HH21 ARG 77 HH21 ARG 77 -6.521 -9.401 -9.614 561 HH22 ARG 77 HH22 ARG 77 -5.271 -10.238 -10.465 562 H TRP 78 H TRP 78 -3.548 -0.320 -8.226 563 HA TRP 78 HA TRP 78 -2.189 -0.829 -10.705 564 HB2 TRP 78 HB2 TRP 78 -4.516 -0.983 -11.551 565 HB3 TRP 78 HB3 TRP 78 -4.885 0.599 -10.874 566 HD1 TRP 78 HD1 TRP 78 -4.616 2.586 -12.545 567 HE1 TRP 78 HE1 TRP 78 -3.470 2.926 -14.817 568 HE3 TRP 78 HE3 TRP 78 -2.243 -1.934 -12.954 569 HZ2 TRP 78 HZ2 TRP 78 -1.785 1.485 -16.564 570 HZ3 TRP 78 HZ3 TRP 78 -0.878 -2.373 -14.955 571 HH2 TRP 78 HH2 TRP 78 -0.653 -0.697 -16.724 572 H CYS 79 H CYS 79 -0.553 0.594 -10.625 573 HA CYS 79 HA CYS 79 0.745 2.430 -10.240 574 HB2 CYS 79 HB2 CYS 79 -0.668 3.229 -12.113 575 HB3 CYS 79 HB3 CYS 79 -1.819 3.898 -10.961 576 HG CYS 79 HG CYS 79 0.652 5.434 -9.942 577 H LEU 80 H LEU 80 -0.742 1.367 -7.916 578 HA LEU 80 HA LEU 80 -1.677 3.422 -6.211 579 HB2 LEU 80 HB2 LEU 80 -2.312 0.993 -6.020 580 HB3 LEU 80 HB3 LEU 80 -0.687 0.608 -5.511 581 HG LEU 80 HG LEU 80 -2.482 0.674 -3.691 582 HD11 LEU 80 HD11 LEU 80 -1.061 1.601 -1.964 583 HD12 LEU 80 HD12 LEU 80 -0.091 2.450 -3.167 584 HD13 LEU 80 HD13 LEU 80 -0.090 0.687 -3.121 585 HD21 LEU 80 HD21 LEU 80 -3.160 2.823 -2.764 586 HD22 LEU 80 HD22 LEU 80 -3.672 2.685 -4.443 587 HD23 LEU 80 HD23 LEU 80 -2.274 3.680 -4.029 588 H CYS 81 H CYS 81 -0.526 4.892 -5.116 589 HA CYS 81 HA CYS 81 2.263 5.182 -5.191 590 HB2 CYS 81 HB2 CYS 81 0.780 7.085 -4.784 591 HB3 CYS 81 HB3 CYS 81 0.260 6.398 -3.249 592 HG CYS 81 HG CYS 81 3.047 8.132 -3.976 593 H ALA 82 H ALA 82 3.528 3.565 -4.429 594 HA ALA 82 HA ALA 82 3.138 1.882 -2.228 595 HB1 ALA 82 HB1 ALA 82 4.752 1.413 -4.032 596 HB2 ALA 82 HB2 ALA 82 5.524 1.303 -2.450 597 HB3 ALA 82 HB3 ALA 82 5.782 2.726 -3.462 598 H SER 83 H SER 83 4.478 5.125 -2.343 599 HA SER 83 HA SER 83 5.531 5.308 0.294 600 HB2 SER 83 HB2 SER 83 6.094 6.967 -1.422 601 HB3 SER 83 HB3 SER 83 4.410 7.479 -1.530 602 HG SER 83 HG SER 83 6.261 8.443 0.045 603 H ARG 84 H ARG 84 2.264 5.972 -1.035 604 HA ARG 84 HA ARG 84 1.151 6.870 1.461 605 HB2 ARG 84 HB2 ARG 84 0.241 7.633 -0.704 606 HB3 ARG 84 HB3 ARG 84 -0.283 5.991 -1.074 607 HG2 ARG 84 HG2 ARG 84 -1.947 6.029 0.651 608 HG3 ARG 84 HG3 ARG 84 -1.288 7.504 1.357 609 HD2 ARG 84 HD2 ARG 84 -2.523 7.384 -1.417 610 HD3 ARG 84 HD3 ARG 84 -3.431 7.806 0.038 611 HE ARG 84 HE ARG 84 -1.556 9.463 -1.405 612 HH11 ARG 84 HH11 ARG 84 -3.093 9.032 1.688 613 HH12 ARG 84 HH12 ARG 84 -2.818 10.671 2.156 614 HH21 ARG 84 HH21 ARG 84 -1.237 11.544 -0.756 615 HH22 ARG 84 HH22 ARG 84 -1.786 12.071 0.796 616 H TRP 85 H TRP 85 1.272 3.704 -0.169 617 HA TRP 85 HA TRP 85 -0.283 2.261 1.741 618 HB2 TRP 85 HB2 TRP 85 0.047 0.908 -0.110 619 HB3 TRP 85 HB3 TRP 85 1.669 1.521 -0.409 620 HD1 TRP 85 HD1 TRP 85 3.390 -0.312 -0.172 621 HE1 TRP 85 HE1 TRP 85 3.800 -2.331 1.365 622 HE3 TRP 85 HE3 TRP 85 -0.901 -0.139 2.615 623 HZ2 TRP 85 HZ2 TRP 85 2.484 -3.698 3.439 624 HZ3 TRP 85 HZ3 TRP 85 -1.246 -1.853 4.338 625 HH2 TRP 85 HH2 TRP 85 0.408 -3.596 4.744 626 H GLN 86 H GLN 86 3.186 3.068 1.574 627 HA GLN 86 HA GLN 86 4.053 1.896 3.966 628 HB2 GLN 86 HB2 GLN 86 5.575 2.909 2.263 629 HB3 GLN 86 HB3 GLN 86 5.040 4.510 2.743 630 HG2 GLN 86 HG2 GLN 86 7.198 4.043 3.753 631 HG3 GLN 86 HG3 GLN 86 5.975 4.157 5.016 632 HE21 GLN 86 HE21 GLN 86 5.320 2.220 6.088 633 HE22 GLN 86 HE22 GLN 86 6.317 0.805 6.070 634 H GLU 87 H GLU 87 2.472 5.036 3.399 635 HA GLU 87 HA GLU 87 2.607 6.069 6.016 636 HB2 GLU 87 HB2 GLU 87 0.485 6.552 3.883 637 HB3 GLU 87 HB3 GLU 87 0.640 7.498 5.361 638 HG2 GLU 87 HG2 GLU 87 2.813 7.297 3.260 639 HG3 GLU 87 HG3 GLU 87 1.586 8.554 3.270 640 H ALA 88 H ALA 88 0.152 3.925 4.500 641 HA ALA 88 HA ALA 88 -1.634 3.745 6.700 642 HB1 ALA 88 HB1 ALA 88 -1.031 1.674 4.557 643 HB2 ALA 88 HB2 ALA 88 -2.209 2.985 4.431 644 HB3 ALA 88 HB3 ALA 88 -2.454 1.697 5.610 645 H PHE 89 H PHE 89 1.255 1.929 5.818 646 HA PHE 89 HA PHE 89 1.034 -0.142 7.743 647 HB2 PHE 89 HB2 PHE 89 2.354 -0.188 5.565 648 HB3 PHE 89 HB3 PHE 89 3.574 0.805 6.356 649 HD1 PHE 89 HD2 PHE 89 1.856 -2.504 6.486 650 HD2 PHE 89 HD1 PHE 89 5.230 -0.210 7.770 651 HE1 PHE 89 HE2 PHE 89 2.900 -4.538 7.380 652 HE2 PHE 89 HE1 PHE 89 6.264 -2.257 8.660 653 HZ PHE 89 HZ PHE 89 5.104 -4.415 8.470 654 H GLU 90 H GLU 90 2.811 2.934 7.738 655 HA GLU 90 HA GLU 90 4.048 2.539 10.316 656 HB2 GLU 90 HB2 GLU 90 3.814 5.072 8.642 657 HB3 GLU 90 HB3 GLU 90 4.853 4.867 10.054 658 HG2 GLU 90 HG2 GLU 90 5.096 3.393 7.406 659 HG3 GLU 90 HG3 GLU 90 6.134 4.693 7.970 660 H ALA 91 H ALA 91 1.134 4.185 9.154 661 HA ALA 91 HA ALA 91 0.455 5.516 11.606 662 HB1 ALA 91 HB1 ALA 91 -0.474 6.240 9.447 663 HB2 ALA 91 HB2 ALA 91 -1.766 5.855 10.584 664 HB3 ALA 91 HB3 ALA 91 -1.356 4.719 9.292 665 H GLY 92 H GLY 92 0.040 2.235 10.468 666 HA2 GLY 92 HA2 GLY 92 -0.135 0.475 12.099 667 HA3 GLY 92 HA3 GLY 92 -1.177 1.492 13.074 668 H MET 93 H MET 93 -2.457 2.085 10.184 669 HA MET 93 HA MET 93 -4.671 0.293 10.420 670 HB2 MET 93 HB2 MET 93 -3.841 2.109 8.111 671 HB3 MET 93 HB3 MET 93 -5.354 1.209 8.147 672 HG2 MET 93 HG2 MET 93 -5.753 3.500 8.788 673 HG3 MET 93 HG3 MET 93 -6.003 2.451 10.189 674 HE1 MET 93 HE1 MET 93 -4.555 5.603 11.942 675 HE2 MET 93 HE2 MET 93 -5.817 4.371 11.966 676 HE3 MET 93 HE3 MET 93 -5.731 5.522 10.629 677 H ALA 94 H ALA 94 -2.421 0.611 7.676 678 HA ALA 94 HA ALA 94 -1.619 -0.782 6.117 679 HB1 ALA 94 HB1 ALA 94 -0.132 -1.220 8.007 680 HB2 ALA 94 HB2 ALA 94 -0.272 -2.621 6.942 681 HB3 ALA 94 HB3 ALA 94 -1.135 -2.592 8.487 682 HA PRO 95 HA PRO 95 -5.310 -3.448 5.145 683 HB2 PRO 95 HB2 PRO 95 -5.210 -2.807 2.450 684 HB3 PRO 95 HB3 PRO 95 -6.090 -1.854 3.653 685 HG2 PRO 95 HG2 PRO 95 -3.305 -1.410 2.564 686 HG3 PRO 95 HG3 PRO 95 -4.634 -0.240 2.743 687 HD2 PRO 95 HD2 PRO 95 -2.677 -0.334 4.548 688 HD3 PRO 95 HD3 PRO 95 -4.360 -0.095 5.077 689 HA PRO 96 HA PRO 96 -2.848 -6.916 3.538 690 HB2 PRO 96 HB2 PRO 96 -4.795 -8.395 2.265 691 HB3 PRO 96 HB3 PRO 96 -4.602 -8.345 4.024 692 HG2 PRO 96 HG2 PRO 96 -6.520 -6.802 2.279 693 HG3 PRO 96 HG3 PRO 96 -6.832 -7.631 3.820 694 HD2 PRO 96 HD2 PRO 96 -6.466 -4.945 3.682 695 HD3 PRO 96 HD3 PRO 96 -5.924 -5.890 5.087 696 H VAL 97 H VAL 97 -1.428 -6.329 1.980 697 HA VAL 97 HA VAL 97 -2.321 -5.429 -0.673 698 HB VAL 97 HB VAL 97 -0.701 -3.960 0.389 699 HG11 VAL 97 HG11 VAL 97 1.226 -6.310 0.549 700 HG12 VAL 97 HG12 VAL 97 0.391 -5.559 1.911 701 HG13 VAL 97 HG13 VAL 97 1.583 -4.635 0.995 702 HG21 VAL 97 HG21 VAL 97 0.653 -5.483 -1.879 703 HG22 VAL 97 HG22 VAL 97 1.055 -3.847 -1.349 704 HG23 VAL 97 HG23 VAL 97 -0.522 -4.178 -2.064 705 H VAL 98 H VAL 98 -1.885 -6.515 -2.527 706 HA VAL 98 HA VAL 98 -1.521 -9.361 -2.349 707 HB VAL 98 HB VAL 98 -3.269 -8.497 -3.765 708 HG11 VAL 98 HG11 VAL 98 -2.875 -7.143 -5.784 709 HG12 VAL 98 HG12 VAL 98 -1.151 -7.076 -5.422 710 HG13 VAL 98 HG13 VAL 98 -2.311 -6.304 -4.338 711 HG21 VAL 98 HG21 VAL 98 -2.825 -9.687 -5.881 712 HG22 VAL 98 HG22 VAL 98 -2.250 -10.615 -4.496 713 HG23 VAL 98 HG23 VAL 98 -1.100 -9.734 -5.504 714 H LEU 99 H LEU 99 0.492 -10.196 -2.154 715 HA LEU 99 HA LEU 99 2.927 -9.087 -3.144 716 HB2 LEU 99 HB2 LEU 99 2.232 -11.861 -2.143 717 HB3 LEU 99 HB3 LEU 99 3.873 -11.371 -2.542 718 HG LEU 99 HG LEU 99 2.177 -10.066 -0.369 719 HD11 LEU 99 HD11 LEU 99 3.612 -11.229 1.224 720 HD12 LEU 99 HD12 LEU 99 4.420 -12.076 -0.096 721 HD13 LEU 99 HD13 LEU 99 2.708 -12.367 0.226 722 HD21 LEU 99 HD21 LEU 99 5.111 -9.704 -1.066 723 HD22 LEU 99 HD22 LEU 99 4.266 -8.968 0.297 724 HD23 LEU 99 HD23 LEU 99 3.823 -8.528 -1.350 725 H GLN 100 H GLN 100 0.736 -11.552 -4.411 726 HA GLN 100 HA GLN 100 2.459 -12.401 -6.579 727 HB2 GLN 100 HB2 GLN 100 0.497 -13.802 -7.248 728 HB3 GLN 100 HB3 GLN 100 0.951 -14.011 -5.562 729 HG2 GLN 100 HG2 GLN 100 -0.906 -12.480 -4.908 730 HG3 GLN 100 HG3 GLN 100 -1.393 -12.382 -6.596 731 HE21 GLN 100 HE21 GLN 100 -0.927 -15.229 -7.136 732 HE22 GLN 100 HE22 GLN 100 -2.198 -16.073 -6.339 733 H SER 101 H SER 101 1.429 -9.488 -6.401 734 HA SER 101 HA SER 101 0.966 -9.189 -9.289 735 HB2 SER 101 HB2 SER 101 -1.281 -9.045 -8.270 736 HB3 SER 101 HB3 SER 101 -0.721 -7.783 -7.178 737 HG SER 101 HG SER 101 -0.219 -7.196 -9.806 738 H THR 102 H THR 102 1.763 -7.568 -6.182 739 HA THR 102 HA THR 102 2.452 -5.031 -7.136 740 HB THR 102 HB THR 102 3.565 -6.441 -4.665 741 HG1 THR 102 HG1 THR 102 1.100 -5.514 -5.251 742 HG21 THR 102 HG21 THR 102 4.915 -4.434 -5.207 743 HG22 THR 102 HG22 THR 102 3.952 -4.175 -3.753 744 HG23 THR 102 HG23 THR 102 3.444 -3.458 -5.284 745 H GLU 103 H GLU 103 4.074 -4.267 -8.295 746 HA GLU 103 HA GLU 103 6.074 -5.997 -9.395 747 HB2 GLU 103 HB2 GLU 103 5.609 -3.013 -9.806 748 HB3 GLU 103 HB3 GLU 103 6.745 -3.966 -10.736 749 HG2 GLU 103 HG2 GLU 103 4.969 -3.918 -12.192 750 HG3 GLU 103 HG3 GLU 103 4.626 -5.419 -11.338 751 H LYS 104 H LYS 104 8.365 -5.230 -9.705 752 HA LYS 104 HA LYS 104 9.680 -5.170 -7.176 753 HB2 LYS 104 HB2 LYS 104 10.869 -4.936 -9.967 754 HB3 LYS 104 HB3 LYS 104 11.781 -5.270 -8.493 755 HG2 LYS 104 HG2 LYS 104 9.700 -7.053 -9.814 756 HG3 LYS 104 HG3 LYS 104 11.440 -7.352 -9.684 757 HD2 LYS 104 HD2 LYS 104 11.243 -7.590 -7.243 758 HD3 LYS 104 HD3 LYS 104 9.528 -7.172 -7.312 759 HE2 LYS 104 HE2 LYS 104 9.768 -9.577 -7.050 760 HE3 LYS 104 HE3 LYS 104 9.116 -9.235 -8.653 761 HZ1 LYS 104 HZ1 LYS 104 11.946 -9.880 -8.023 762 HZ2 LYS 104 HZ2 LYS 104 11.341 -9.529 -9.564 763 HZ3 LYS 104 HZ3 LYS 104 10.828 -10.917 -8.751 764 H SER 105 H SER 105 8.618 -2.622 -9.183 765 HA SER 105 HA SER 105 10.353 -0.502 -8.561 766 HB2 SER 105 HB2 SER 105 8.469 -0.286 -10.182 767 HB3 SER 105 HB3 SER 105 7.318 -0.354 -8.852 768 HG SER 105 HG SER 105 9.127 1.695 -9.551 769 H ALA 106 H ALA 106 7.500 -1.691 -6.769 770 HA ALA 106 HA ALA 106 7.433 0.130 -4.656 771 HB1 ALA 106 HB1 ALA 106 6.657 -2.799 -4.580 772 HB2 ALA 106 HB2 ALA 106 5.638 -1.478 -5.145 773 HB3 ALA 106 HB3 ALA 106 6.117 -1.551 -3.450 774 H LEU 107 H LEU 107 9.521 -2.692 -5.053 775 HA LEU 107 HA LEU 107 10.390 -2.940 -2.358 776 HB2 LEU 107 HB2 LEU 107 11.523 -3.925 -4.988 777 HB3 LEU 107 HB3 LEU 107 12.397 -4.186 -3.490 778 HG LEU 107 HG LEU 107 10.506 -5.504 -2.590 779 HD11 LEU 107 HD11 LEU 107 8.644 -6.243 -4.016 780 HD12 LEU 107 HD12 LEU 107 9.170 -5.135 -5.286 781 HD13 LEU 107 HD13 LEU 107 8.608 -4.503 -3.736 782 HD21 LEU 107 HD21 LEU 107 10.800 -7.496 -3.986 783 HD22 LEU 107 HD22 LEU 107 12.331 -6.657 -3.755 784 HD23 LEU 107 HD23 LEU 107 11.467 -6.506 -5.288 785 H ARG 108 H ARG 108 11.358 -0.772 -4.896 786 HA ARG 108 HA ARG 108 13.771 0.158 -3.522 787 HB2 ARG 108 HB2 ARG 108 12.400 1.004 -6.107 788 HB3 ARG 108 HB3 ARG 108 13.852 1.795 -5.487 789 HG2 ARG 108 HG2 ARG 108 15.121 -0.289 -5.688 790 HG3 ARG 108 HG3 ARG 108 13.668 -1.160 -6.190 791 HD2 ARG 108 HD2 ARG 108 13.571 0.018 -8.280 792 HD3 ARG 108 HD3 ARG 108 14.774 1.197 -7.755 793 HE ARG 108 HE ARG 108 16.478 -0.388 -8.080 794 HH11 ARG 108 HH11 ARG 108 13.423 -1.778 -8.944 795 HH12 ARG 108 HH12 ARG 108 14.151 -3.011 -9.909 796 HH21 ARG 108 HH21 ARG 108 17.368 -1.986 -9.311 797 HH22 ARG 108 HH22 ARG 108 16.349 -3.129 -10.110 798 H TYR 109 H TYR 109 10.471 0.820 -3.156 799 HA TYR 109 HA TYR 109 10.959 3.588 -2.152 800 HB2 TYR 109 HB2 TYR 109 8.400 2.425 -3.370 801 HB3 TYR 109 HB3 TYR 109 8.498 4.008 -2.601 802 HD1 TYR 109 HD1 TYR 109 9.812 2.042 -5.481 803 HD2 TYR 109 HD2 TYR 109 9.326 5.926 -3.813 804 HE1 TYR 109 HE1 TYR 109 10.587 3.027 -7.590 805 HE2 TYR 109 HE2 TYR 109 10.103 6.927 -5.918 806 HH TYR 109 HH TYR 109 11.503 6.284 -7.851 807 H VAL 110 H VAL 110 8.717 0.820 -1.607 808 HA VAL 110 HA VAL 110 8.310 1.660 1.190 809 HB VAL 110 HB VAL 110 6.283 1.307 -0.208 810 HG11 VAL 110 HG11 VAL 110 5.556 -0.972 -0.870 811 HG12 VAL 110 HG12 VAL 110 7.128 -1.604 -0.376 812 HG13 VAL 110 HG13 VAL 110 7.020 -0.462 -1.716 813 HG21 VAL 110 HG21 VAL 110 6.109 0.999 2.226 814 HG22 VAL 110 HG22 VAL 110 6.516 -0.711 2.048 815 HG23 VAL 110 HG23 VAL 110 5.014 -0.086 1.372 816 H SER 111 H SER 111 9.797 -0.797 -0.718 817 HA SER 111 HA SER 111 11.099 -2.584 -0.334 818 HB2 SER 111 HB2 SER 111 12.119 -1.570 1.634 819 HB3 SER 111 HB3 SER 111 10.756 -2.035 2.645 820 HG SER 111 HG SER 111 12.404 -3.508 2.946 821 H LEU 112 H LEU 112 10.940 -4.777 -0.040 822 HA LEU 112 HA LEU 112 8.412 -5.939 -0.327 823 HB2 LEU 112 HB2 LEU 112 10.288 -6.914 -1.392 824 HB3 LEU 112 HB3 LEU 112 11.175 -7.037 0.095 825 HG LEU 112 HG LEU 112 8.685 -8.711 -0.121 826 HD11 LEU 112 HD11 LEU 112 9.807 -10.505 -1.342 827 HD12 LEU 112 HD12 LEU 112 11.235 -9.488 -1.568 828 HD13 LEU 112 HD13 LEU 112 9.706 -9.047 -2.332 829 HD21 LEU 112 HD21 LEU 112 11.439 -9.257 1.057 830 HD22 LEU 112 HD22 LEU 112 10.062 -10.364 1.116 831 HD23 LEU 112 HD23 LEU 112 9.977 -8.815 1.953 832 H ALA 113 H ALA 113 10.429 -5.611 2.579 833 HA ALA 113 HA ALA 113 9.276 -7.687 4.134 834 HB1 ALA 113 HB1 ALA 113 11.436 -6.647 4.681 835 HB2 ALA 113 HB2 ALA 113 10.339 -6.607 6.064 836 HB3 ALA 113 HB3 ALA 113 10.613 -5.147 5.110 837 H ASP 114 H ASP 114 8.363 -4.308 3.728 838 HA ASP 114 HA ASP 114 6.310 -4.177 5.705 839 HB2 ASP 114 HB2 ASP 114 6.761 -2.509 3.190 840 HB3 ASP 114 HB3 ASP 114 5.665 -2.081 4.510 841 H LEU 115 H LEU 115 6.384 -5.185 2.337 842 HA LEU 115 HA LEU 115 3.566 -5.196 1.784 843 HB2 LEU 115 HB2 LEU 115 5.782 -6.807 0.457 844 HB3 LEU 115 HB3 LEU 115 4.180 -6.514 -0.208 845 HG LEU 115 HG LEU 115 6.267 -4.343 0.274 846 HD11 LEU 115 HD11 LEU 115 6.596 -4.304 -2.144 847 HD12 LEU 115 HD12 LEU 115 5.503 -5.682 -2.333 848 HD13 LEU 115 HD13 LEU 115 7.031 -5.874 -1.469 849 HD21 LEU 115 HD21 LEU 115 4.845 -2.935 -1.102 850 HD22 LEU 115 HD22 LEU 115 3.974 -3.499 0.320 851 HD23 LEU 115 HD23 LEU 115 3.658 -4.233 -1.255 852 H GLN 116 H GLN 116 5.926 -7.650 2.701 853 HA GLN 116 HA GLN 116 4.235 -9.949 2.628 854 HB2 GLN 116 HB2 GLN 116 6.929 -9.500 3.974 855 HB3 GLN 116 HB3 GLN 116 6.205 -11.072 3.651 856 HG2 GLN 116 HG2 GLN 116 6.545 -9.283 1.297 857 HG3 GLN 116 HG3 GLN 116 8.025 -9.878 2.027 858 HE21 GLN 116 HE21 GLN 116 7.042 -10.421 -0.610 859 HE22 GLN 116 HE22 GLN 116 6.806 -12.125 -0.729 860 H ALA 117 H ALA 117 5.384 -7.820 5.211 861 HA ALA 117 HA ALA 117 4.496 -9.179 7.491 862 HB1 ALA 117 HB1 ALA 117 5.994 -7.238 7.553 863 HB2 ALA 117 HB2 ALA 117 4.628 -7.017 8.646 864 HB3 ALA 117 HB3 ALA 117 4.660 -6.182 7.086 865 H HIS 118 H HIS 118 2.497 -7.586 5.131 866 HA HIS 118 HA HIS 118 0.113 -8.299 6.727 867 HB2 HIS 118 HB2 HIS 118 0.771 -5.609 5.591 868 HB3 HIS 118 HB3 HIS 118 -0.876 -6.154 5.280 869 HD1 HIS 118 HD1 HIS 118 1.415 -5.185 8.117 870 HD2 HIS 118 HD2 HIS 118 -2.548 -6.264 7.512 871 HE1 HIS 118 HE1 HIS 118 0.246 -4.688 10.280 872 HE2 HIS 118 HE2 HIS 118 -2.111 -5.483 9.935 873 H ALA 119 H ALA 119 1.453 -9.864 4.741 874 HA ALA 119 HA ALA 119 -0.981 -10.598 3.295 875 HB1 ALA 119 HB1 ALA 119 0.173 -9.147 1.681 876 HB2 ALA 119 HB2 ALA 119 0.138 -10.818 1.116 877 HB3 ALA 119 HB3 ALA 119 1.622 -10.145 1.799 878 H LEU 120 H LEU 120 2.510 -11.510 3.297 879 HA LEU 120 HA LEU 120 1.882 -14.153 4.414 880 HB2 LEU 120 HB2 LEU 120 1.874 -14.549 2.007 881 HB3 LEU 120 HB3 LEU 120 3.401 -13.714 1.812 882 HG LEU 120 HG LEU 120 4.499 -15.559 3.175 883 HD11 LEU 120 HD11 LEU 120 2.532 -16.370 4.370 884 HD12 LEU 120 HD12 LEU 120 3.304 -17.677 3.477 885 HD13 LEU 120 HD13 LEU 120 1.823 -16.942 2.858 886 HD21 LEU 120 HD21 LEU 120 4.657 -15.555 0.719 887 HD22 LEU 120 HD22 LEU 120 3.140 -16.451 0.603 888 HD23 LEU 120 HD23 LEU 120 4.558 -17.203 1.341 889 HA PRO 121 HA PRO 121 5.402 -12.353 6.626 890 HB2 PRO 121 HB2 PRO 121 5.318 -13.888 8.863 891 HB3 PRO 121 HB3 PRO 121 4.089 -12.664 8.520 892 HG2 PRO 121 HG2 PRO 121 3.950 -15.650 8.177 893 HG3 PRO 121 HG3 PRO 121 2.696 -14.526 8.740 894 HD2 PRO 121 HD2 PRO 121 2.883 -15.548 6.143 895 HD3 PRO 121 HD3 PRO 121 1.985 -14.083 6.583 896 H VAL 122 H VAL 122 6.848 -13.119 4.913 897 HA VAL 122 HA VAL 122 8.079 -15.666 4.834 898 HB VAL 122 HB VAL 122 8.028 -14.057 2.921 899 HG11 VAL 122 HG11 VAL 122 10.174 -12.497 4.411 900 HG12 VAL 122 HG12 VAL 122 8.521 -11.959 4.115 901 HG13 VAL 122 HG13 VAL 122 9.627 -12.184 2.759 902 HG21 VAL 122 HG21 VAL 122 9.608 -15.938 2.845 903 HG22 VAL 122 HG22 VAL 122 10.835 -14.964 3.658 904 HG23 VAL 122 HG23 VAL 122 10.290 -14.521 2.039 905 H LEU 123 H LEU 123 9.955 -16.494 5.791 906 HA LEU 123 HA LEU 123 11.190 -14.892 7.944 907 HB2 LEU 123 HB2 LEU 123 11.903 -16.977 8.951 908 HB3 LEU 123 HB3 LEU 123 10.178 -16.914 8.673 909 HG LEU 123 HG LEU 123 10.994 -18.258 6.407 910 HD11 LEU 123 HD11 LEU 123 12.859 -19.216 8.598 911 HD12 LEU 123 HD12 LEU 123 13.331 -18.406 7.102 912 HD13 LEU 123 HD13 LEU 123 12.589 -20.002 7.039 913 HD21 LEU 123 HD21 LEU 123 10.116 -20.269 7.481 914 HD22 LEU 123 HD22 LEU 123 9.139 -18.850 7.862 915 HD23 LEU 123 HD23 LEU 123 10.255 -19.495 9.066 916 H GLU 124 H GLU 124 11.800 -15.839 4.821 917 HA GLU 124 HA GLU 124 14.703 -15.991 4.913 918 HB2 GLU 124 HB2 GLU 124 12.712 -15.886 2.607 919 HB3 GLU 124 HB3 GLU 124 14.449 -15.942 2.367 920 HG2 GLU 124 HG2 GLU 124 13.598 -18.144 2.048 921 HG3 GLU 124 HG3 GLU 124 14.526 -18.128 3.545 922 H HIS 125 H HIS 125 13.383 -13.499 5.927 923 HA HIS 125 HA HIS 125 14.020 -11.312 4.236 924 HB2 HIS 125 HB2 HIS 125 12.572 -11.016 6.206 925 HB3 HIS 125 HB3 HIS 125 13.881 -11.481 7.285 926 HD1 HIS 125 HD1 HIS 125 12.959 -8.682 4.882 927 HD2 HIS 125 HD2 HIS 125 15.449 -9.361 8.144 928 HE1 HIS 125 HE1 HIS 125 13.954 -6.450 5.443 929 HE2 HIS 125 HE2 HIS 125 15.314 -6.855 7.515 930 H HIS 126 H HIS 126 16.015 -10.891 3.474 931 HA HIS 126 HA HIS 126 18.404 -11.310 5.192 932 HB2 HIS 126 HB2 HIS 126 18.079 -11.825 2.206 933 HB3 HIS 126 HB3 HIS 126 19.657 -11.683 2.975 934 HD1 HIS 126 HD1 HIS 126 16.788 -14.004 2.570 935 HD2 HIS 126 HD2 HIS 126 20.331 -13.829 4.724 936 HE1 HIS 126 HE1 HIS 126 17.134 -16.319 3.463 937 HE2 HIS 126 HE2 HIS 126 19.366 -16.227 4.619 938 H HIS 127 H HIS 127 20.040 -9.800 5.120 939 HA HIS 127 HA HIS 127 19.232 -7.067 4.636 940 HB2 HIS 127 HB2 HIS 127 20.512 -7.820 6.663 941 HB3 HIS 127 HB3 HIS 127 21.889 -8.186 5.632 942 HD1 HIS 127 HD1 HIS 127 19.861 -5.281 6.913 943 HD2 HIS 127 HD2 HIS 127 23.506 -5.994 5.054 944 HE1 HIS 127 HE1 HIS 127 21.081 -3.096 6.978 945 HE2 HIS 127 HE2 HIS 127 23.358 -3.610 6.046 946 H HIS 128 H HIS 128 19.399 -6.167 2.663 947 HA HIS 128 HA HIS 128 19.950 -5.671 0.536 948 HB2 HIS 128 HB2 HIS 128 22.745 -6.355 1.496 949 HB3 HIS 128 HB3 HIS 128 22.421 -5.735 -0.117 950 HD1 HIS 128 HD1 HIS 128 23.651 -3.547 0.163 951 HD2 HIS 128 HD2 HIS 128 20.784 -4.129 3.114 952 HE1 HIS 128 HE1 HIS 128 23.508 -1.373 1.401 953 HE2 HIS 128 HE2 HIS 128 21.631 -1.687 3.033 954 H HIS 129 H HIS 129 22.346 -8.295 0.800 955 HA HIS 129 HA HIS 129 20.856 -10.423 -0.277 956 HB2 HIS 129 HB2 HIS 129 21.876 -10.611 -2.570 957 HB3 HIS 129 HB3 HIS 129 20.815 -9.220 -2.416 958 HD1 HIS 129 HD1 HIS 129 21.861 -6.885 -2.684 959 HD2 HIS 129 HD2 HIS 129 24.646 -9.965 -2.906 960 HE1 HIS 129 HE1 HIS 129 23.972 -5.825 -3.534 961 HE2 HIS 129 HE2 HIS 129 25.672 -7.673 -3.520 962 H HIS 130 H HIS 130 24.014 -8.876 -0.027 963 HA HIS 130 HA HIS 130 25.292 -10.933 1.421 964 HB2 HIS 130 HB2 HIS 130 25.358 -12.171 -0.698 965 HB3 HIS 130 HB3 HIS 130 26.031 -10.776 -1.536 966 HD1 HIS 130 HD1 HIS 130 27.055 -12.975 1.429 967 HD2 HIS 130 HD2 HIS 130 28.719 -11.009 -1.830 968 HE1 HIS 130 HE1 HIS 130 29.503 -13.518 1.500 969 HE2 HIS 130 HE2 HIS 130 30.462 -12.427 -0.557 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -8.437 19.999 -36.466 2 H2 MET 1 H2 MET 1 -9.290 19.701 -37.893 3 H3 MET 1 H3 MET 1 -8.999 18.441 -36.806 4 HA MET 1 HA MET 1 -10.689 20.825 -36.300 5 HB2 MET 1 HB2 MET 1 -11.475 17.905 -36.709 6 HB3 MET 1 HB3 MET 1 -12.588 19.200 -36.283 7 HG2 MET 1 HG2 MET 1 -12.111 20.307 -38.432 8 HG3 MET 1 HG3 MET 1 -11.009 18.993 -38.858 9 HE1 MET 1 HE1 MET 1 -13.473 19.988 -40.682 10 HE2 MET 1 HE2 MET 1 -14.155 18.451 -41.212 11 HE3 MET 1 HE3 MET 1 -12.404 18.677 -41.182 12 H GLY 2 H GLY 2 -9.847 17.557 -35.074 13 HA2 GLY 2 HA2 GLY 2 -9.505 18.573 -32.342 14 HA3 GLY 2 HA3 GLY 2 -10.765 17.368 -32.588 15 H GLN 3 H GLN 3 -9.611 15.900 -31.176 16 HA GLN 3 HA GLN 3 -7.565 14.316 -32.543 17 HB2 GLN 3 HB2 GLN 3 -5.975 14.370 -30.658 18 HB3 GLN 3 HB3 GLN 3 -6.209 15.979 -31.329 19 HG2 GLN 3 HG2 GLN 3 -7.709 16.550 -29.449 20 HG3 GLN 3 HG3 GLN 3 -7.494 14.931 -28.784 21 HE21 GLN 3 HE21 GLN 3 -6.847 17.566 -27.616 22 HE22 GLN 3 HE22 GLN 3 -5.165 17.499 -27.222 23 H GLY 4 H GLY 4 -6.832 12.491 -30.853 24 HA2 GLY 4 HA2 GLY 4 -8.875 11.582 -28.997 25 HA3 GLY 4 HA3 GLY 4 -8.725 10.603 -30.455 26 H GLN 5 H GLN 5 -8.138 9.905 -27.620 27 HA GLN 5 HA GLN 5 -5.226 9.539 -27.546 28 HB2 GLN 5 HB2 GLN 5 -7.416 8.781 -25.560 29 HB3 GLN 5 HB3 GLN 5 -5.726 8.370 -25.332 30 HG2 GLN 5 HG2 GLN 5 -5.912 10.259 -24.021 31 HG3 GLN 5 HG3 GLN 5 -5.312 10.944 -25.524 32 HE21 GLN 5 HE21 GLN 5 -6.789 12.208 -23.337 33 HE22 GLN 5 HE22 GLN 5 -8.204 12.896 -24.044 34 H ASN 6 H ASN 6 -4.371 7.881 -28.623 35 HA ASN 6 HA ASN 6 -5.160 5.161 -28.302 36 HB2 ASN 6 HB2 ASN 6 -5.637 4.719 -30.787 37 HB3 ASN 6 HB3 ASN 6 -6.909 5.553 -29.907 38 HD21 ASN 6 HD21 ASN 6 -4.433 5.890 -32.349 39 HD22 ASN 6 HD22 ASN 6 -4.998 7.391 -32.984 40 H VAL 7 H VAL 7 -3.219 4.295 -28.082 41 HA VAL 7 HA VAL 7 -1.256 3.367 -28.462 42 HB VAL 7 HB VAL 7 -1.135 4.701 -31.196 43 HG11 VAL 7 HG11 VAL 7 0.337 2.307 -30.039 44 HG12 VAL 7 HG12 VAL 7 1.038 3.880 -30.422 45 HG13 VAL 7 HG13 VAL 7 0.446 2.843 -31.720 46 HG21 VAL 7 HG21 VAL 7 -2.253 1.947 -30.474 47 HG22 VAL 7 HG22 VAL 7 -2.035 2.568 -32.114 48 HG23 VAL 7 HG23 VAL 7 -3.195 3.335 -31.029 49 H LEU 8 H LEU 8 -1.241 6.756 -29.554 50 HA LEU 8 HA LEU 8 1.339 7.566 -29.046 51 HB2 LEU 8 HB2 LEU 8 0.350 9.872 -28.887 52 HB3 LEU 8 HB3 LEU 8 -0.162 8.947 -30.282 53 HG LEU 8 HG LEU 8 -2.270 8.364 -28.705 54 HD11 LEU 8 HD11 LEU 8 -2.987 10.218 -27.303 55 HD12 LEU 8 HD12 LEU 8 -1.465 11.062 -27.604 56 HD13 LEU 8 HD13 LEU 8 -1.466 9.529 -26.729 57 HD21 LEU 8 HD21 LEU 8 -2.457 9.398 -30.900 58 HD22 LEU 8 HD22 LEU 8 -2.051 10.979 -30.226 59 HD23 LEU 8 HD23 LEU 8 -3.549 10.171 -29.752 60 H GLY 9 H GLY 9 -1.198 6.925 -26.748 61 HA2 GLY 9 HA2 GLY 9 0.718 7.132 -24.572 62 HA3 GLY 9 HA3 GLY 9 -0.730 8.124 -24.429 63 H GLN 10 H GLN 10 0.131 4.836 -25.433 64 HA GLN 10 HA GLN 10 -0.527 2.756 -24.873 65 HB2 GLN 10 HB2 GLN 10 -2.210 4.009 -22.671 66 HB3 GLN 10 HB3 GLN 10 -1.916 2.298 -22.875 67 HG2 GLN 10 HG2 GLN 10 0.453 2.593 -22.364 68 HG3 GLN 10 HG3 GLN 10 0.247 4.342 -22.294 69 HE21 GLN 10 HE21 GLN 10 1.239 2.529 -20.231 70 HE22 GLN 10 HE22 GLN 10 0.212 2.747 -18.863 71 H ASP 11 H ASP 11 -2.430 1.303 -24.986 72 HA ASP 11 HA ASP 11 -4.983 2.175 -25.869 73 HB2 ASP 11 HB2 ASP 11 -3.664 2.912 -27.855 74 HB3 ASP 11 HB3 ASP 11 -3.111 1.262 -28.102 75 H LEU 12 H LEU 12 -5.638 0.549 -24.451 76 HA LEU 12 HA LEU 12 -6.534 -1.435 -23.871 77 HB2 LEU 12 HB2 LEU 12 -6.443 -1.879 -26.871 78 HB3 LEU 12 HB3 LEU 12 -7.463 -2.754 -25.743 79 HG LEU 12 HG LEU 12 -7.666 0.236 -26.298 80 HD11 LEU 12 HD11 LEU 12 -9.478 -2.002 -27.266 81 HD12 LEU 12 HD12 LEU 12 -8.368 -1.048 -28.255 82 HD13 LEU 12 HD13 LEU 12 -9.749 -0.268 -27.489 83 HD21 LEU 12 HD21 LEU 12 -9.758 0.152 -24.992 84 HD22 LEU 12 HD22 LEU 12 -8.372 -0.318 -24.013 85 HD23 LEU 12 HD23 LEU 12 -9.472 -1.554 -24.625 86 H GLU 13 H GLU 13 -3.709 -1.462 -23.616 87 HA GLU 13 HA GLU 13 -2.598 -3.958 -24.507 88 HB2 GLU 13 HB2 GLU 13 -1.711 -2.055 -22.296 89 HB3 GLU 13 HB3 GLU 13 -0.791 -3.467 -22.805 90 HG2 GLU 13 HG2 GLU 13 -1.483 -1.092 -24.574 91 HG3 GLU 13 HG3 GLU 13 0.073 -1.370 -23.791 92 H VAL 14 H VAL 14 -2.070 -5.808 -23.195 93 HA VAL 14 HA VAL 14 -4.298 -6.727 -21.671 94 HB VAL 14 HB VAL 14 -3.121 -8.264 -23.137 95 HG11 VAL 14 HG11 VAL 14 -0.834 -7.394 -22.989 96 HG12 VAL 14 HG12 VAL 14 -0.855 -9.135 -22.698 97 HG13 VAL 14 HG13 VAL 14 -0.682 -8.014 -21.344 98 HG21 VAL 14 HG21 VAL 14 -2.901 -10.225 -21.638 99 HG22 VAL 14 HG22 VAL 14 -4.323 -9.257 -21.245 100 HG23 VAL 14 HG23 VAL 14 -2.877 -9.148 -20.239 101 H CYS 15 H CYS 15 -4.643 -5.840 -19.763 102 HA CYS 15 HA CYS 15 -2.454 -5.331 -17.816 103 HB2 CYS 15 HB2 CYS 15 -3.570 -3.310 -18.680 104 HB3 CYS 15 HB3 CYS 15 -5.139 -3.935 -18.182 105 HG CYS 15 HG CYS 15 -4.320 -3.916 -15.395 106 H CYS 16 H CYS 16 -4.946 -7.450 -18.364 107 HA CYS 16 HA CYS 16 -6.008 -9.051 -17.196 108 HB2 CYS 16 HB2 CYS 16 -4.011 -9.317 -15.773 109 HB3 CYS 16 HB3 CYS 16 -4.598 -8.050 -14.701 110 HG CYS 16 HG CYS 16 -4.883 -10.614 -13.532 111 H CYS 17 H CYS 17 -6.356 -5.786 -16.172 112 HA CYS 17 HA CYS 17 -8.560 -5.880 -14.469 113 HB2 CYS 17 HB2 CYS 17 -7.777 -3.746 -16.490 114 HB3 CYS 17 HB3 CYS 17 -8.906 -3.531 -15.165 115 HG CYS 17 HG CYS 17 -7.197 -3.231 -13.239 116 H ALA 18 H ALA 18 -8.448 -6.012 -18.014 117 HA ALA 18 HA ALA 18 -11.364 -6.559 -18.093 118 HB1 ALA 18 HB1 ALA 18 -9.741 -5.158 -20.250 119 HB2 ALA 18 HB2 ALA 18 -10.889 -4.389 -19.152 120 HB3 ALA 18 HB3 ALA 18 -11.460 -5.566 -20.335 121 HA PRO 19 HA PRO 19 -9.996 -10.565 -19.842 122 HB2 PRO 19 HB2 PRO 19 -12.895 -10.856 -20.564 123 HB3 PRO 19 HB3 PRO 19 -11.868 -11.911 -19.581 124 HG2 PRO 19 HG2 PRO 19 -13.742 -10.363 -18.439 125 HG3 PRO 19 HG3 PRO 19 -12.178 -10.634 -17.645 126 HD2 PRO 19 HD2 PRO 19 -13.116 -8.237 -19.234 127 HD3 PRO 19 HD3 PRO 19 -12.238 -8.293 -17.687 128 H MET 20 H MET 20 -8.955 -10.505 -21.742 129 HA MET 20 HA MET 20 -8.345 -10.251 -23.886 130 HB2 MET 20 HB2 MET 20 -10.274 -11.803 -24.294 131 HB3 MET 20 HB3 MET 20 -11.311 -10.409 -24.564 132 HG2 MET 20 HG2 MET 20 -9.893 -9.761 -26.499 133 HG3 MET 20 HG3 MET 20 -8.910 -11.199 -26.232 134 HE1 MET 20 HE1 MET 20 -12.266 -9.743 -27.557 135 HE2 MET 20 HE2 MET 20 -12.875 -10.627 -26.154 136 HE3 MET 20 HE3 MET 20 -13.261 -11.184 -27.781 137 H THR 21 H THR 21 -7.497 -8.192 -23.666 138 HA THR 21 HA THR 21 -9.098 -5.796 -24.219 139 HB THR 21 HB THR 21 -6.976 -4.557 -23.748 140 HG1 THR 21 HG1 THR 21 -5.246 -5.732 -24.148 141 HG21 THR 21 HG21 THR 21 -7.632 -6.621 -21.608 142 HG22 THR 21 HG22 THR 21 -8.455 -5.075 -21.834 143 HG23 THR 21 HG23 THR 21 -6.758 -5.108 -21.353 144 H GLY 22 H GLY 22 -9.003 -4.621 -26.112 145 HA2 GLY 22 HA2 GLY 22 -8.497 -3.995 -28.271 146 HA3 GLY 22 HA3 GLY 22 -6.963 -4.833 -28.120 147 H TRP 23 H TRP 23 -6.841 -7.045 -28.684 148 HA TRP 23 HA TRP 23 -9.228 -8.395 -29.760 149 HB2 TRP 23 HB2 TRP 23 -7.042 -7.467 -31.430 150 HB3 TRP 23 HB3 TRP 23 -6.990 -9.219 -31.419 151 HD1 TRP 23 HD1 TRP 23 -8.657 -6.414 -33.160 152 HE1 TRP 23 HE1 TRP 23 -10.580 -7.273 -34.628 153 HE3 TRP 23 HE3 TRP 23 -9.056 -11.172 -31.297 154 HZ2 TRP 23 HZ2 TRP 23 -12.075 -9.637 -34.964 155 HZ3 TRP 23 HZ3 TRP 23 -10.764 -12.674 -32.250 156 HH2 TRP 23 HH2 TRP 23 -12.245 -11.915 -34.048 157 H TYR 24 H TYR 24 -5.799 -8.731 -28.822 158 HA TYR 24 HA TYR 24 -6.494 -10.938 -27.028 159 HB2 TYR 24 HB2 TYR 24 -4.437 -11.269 -29.256 160 HB3 TYR 24 HB3 TYR 24 -4.421 -12.280 -27.820 161 HD1 TYR 24 HD1 TYR 24 -6.624 -13.587 -27.285 162 HD2 TYR 24 HD2 TYR 24 -5.731 -11.969 -31.147 163 HE1 TYR 24 HE1 TYR 24 -8.222 -15.140 -28.309 164 HE2 TYR 24 HE2 TYR 24 -7.335 -13.533 -32.165 165 HH TYR 24 HH TYR 24 -8.395 -15.649 -31.691 166 H ARG 25 H ARG 25 -3.547 -9.317 -28.339 167 HA ARG 25 HA ARG 25 -1.521 -8.879 -27.462 168 HB2 ARG 25 HB2 ARG 25 -3.203 -8.021 -25.089 169 HB3 ARG 25 HB3 ARG 25 -1.456 -7.910 -25.052 170 HG2 ARG 25 HG2 ARG 25 -2.295 -5.743 -25.561 171 HG3 ARG 25 HG3 ARG 25 -1.567 -6.377 -27.035 172 HD2 ARG 25 HD2 ARG 25 -3.740 -6.819 -28.000 173 HD3 ARG 25 HD3 ARG 25 -4.547 -6.473 -26.470 174 HE ARG 25 HE ARG 25 -4.374 -4.228 -26.889 175 HH11 ARG 25 HH11 ARG 25 -2.432 -5.851 -29.246 176 HH12 ARG 25 HH12 ARG 25 -2.175 -4.406 -30.155 177 HH21 ARG 25 HH21 ARG 25 -4.004 -2.418 -28.054 178 HH22 ARG 25 HH22 ARG 25 -3.055 -2.500 -29.494 179 H ASN 26 H ASN 26 -2.920 -10.021 -24.384 180 HA ASN 26 HA ASN 26 -2.709 -11.797 -23.062 181 HB2 ASN 26 HB2 ASN 26 -3.366 -13.070 -25.121 182 HB3 ASN 26 HB3 ASN 26 -1.663 -13.329 -25.477 183 HD21 ASN 26 HD21 ASN 26 -2.025 -15.604 -25.365 184 HD22 ASN 26 HD22 ASN 26 -2.213 -16.414 -23.852 185 H GLY 27 H GLY 27 -1.285 -12.645 -21.585 186 HA2 GLY 27 HA2 GLY 27 0.984 -13.419 -21.003 187 HA3 GLY 27 HA3 GLY 27 1.629 -12.105 -21.976 188 H PHE 28 H PHE 28 -0.675 -10.428 -20.831 189 HA PHE 28 HA PHE 28 -1.159 -8.932 -19.222 190 HB2 PHE 28 HB2 PHE 28 0.130 -10.875 -17.254 191 HB3 PHE 28 HB3 PHE 28 -0.971 -9.559 -16.852 192 HD1 PHE 28 HD1 PHE 28 -3.348 -9.645 -17.980 193 HD2 PHE 28 HD2 PHE 28 -0.771 -13.042 -17.629 194 HE1 PHE 28 HE1 PHE 28 -5.275 -11.146 -18.285 195 HE2 PHE 28 HE2 PHE 28 -2.705 -14.535 -17.928 196 HZ PHE 28 HZ PHE 28 -4.957 -13.590 -18.258 197 H CYS 29 H CYS 29 0.251 -7.437 -20.199 198 HA CYS 29 HA CYS 29 2.935 -6.954 -19.217 199 HB2 CYS 29 HB2 CYS 29 2.354 -6.425 -21.559 200 HB3 CYS 29 HB3 CYS 29 1.147 -5.261 -21.016 201 HG CYS 29 HG CYS 29 3.260 -3.774 -21.925 202 H GLN 30 H GLN 30 3.036 -6.328 -17.134 203 HA GLN 30 HA GLN 30 1.326 -4.111 -16.134 204 HB2 GLN 30 HB2 GLN 30 0.978 -6.484 -15.164 205 HB3 GLN 30 HB3 GLN 30 2.577 -6.327 -14.442 206 HG2 GLN 30 HG2 GLN 30 1.741 -4.280 -13.225 207 HG3 GLN 30 HG3 GLN 30 0.133 -4.611 -13.866 208 HE21 GLN 30 HE21 GLN 30 2.599 -5.660 -11.656 209 HE22 GLN 30 HE22 GLN 30 1.612 -6.748 -10.758 210 H THR 31 H THR 31 3.746 -3.770 -17.580 211 HA THR 31 HA THR 31 5.562 -2.603 -15.554 212 HB THR 31 HB THR 31 6.583 -4.690 -16.454 213 HG1 THR 31 HG1 THR 31 8.263 -3.470 -16.004 214 HG21 THR 31 HG21 THR 31 7.336 -4.828 -18.799 215 HG22 THR 31 HG22 THR 31 6.547 -3.291 -19.159 216 HG23 THR 31 HG23 THR 31 5.576 -4.700 -18.723 217 H ASP 32 H ASP 32 7.021 -0.907 -16.480 218 HA ASP 32 HA ASP 32 5.535 1.083 -17.869 219 HB2 ASP 32 HB2 ASP 32 8.460 0.944 -17.046 220 HB3 ASP 32 HB3 ASP 32 7.768 2.355 -17.848 221 H VAL 33 H VAL 33 5.179 1.208 -19.992 222 HA VAL 33 HA VAL 33 6.802 0.143 -22.079 223 HB VAL 33 HB VAL 33 5.493 1.589 -23.616 224 HG11 VAL 33 HG11 VAL 33 4.510 -0.554 -22.905 225 HG12 VAL 33 HG12 VAL 33 3.248 0.654 -23.149 226 HG13 VAL 33 HG13 VAL 33 3.758 0.231 -21.513 227 HG21 VAL 33 HG21 VAL 33 3.727 3.116 -22.747 228 HG22 VAL 33 HG22 VAL 33 5.332 3.641 -22.239 229 HG23 VAL 33 HG23 VAL 33 4.273 2.812 -21.095 230 H GLN 34 H GLN 34 7.261 2.798 -20.013 231 HA GLN 34 HA GLN 34 8.888 4.559 -21.520 232 HB2 GLN 34 HB2 GLN 34 9.146 4.020 -18.527 233 HB3 GLN 34 HB3 GLN 34 9.538 5.505 -19.390 234 HG2 GLN 34 HG2 GLN 34 6.760 4.379 -18.918 235 HG3 GLN 34 HG3 GLN 34 7.485 5.748 -18.076 236 HE21 GLN 34 HE21 GLN 34 7.729 7.733 -19.229 237 HE22 GLN 34 HE22 GLN 34 6.808 8.063 -20.650 238 H ASP 35 H ASP 35 9.487 1.382 -20.346 239 HA ASP 35 HA ASP 35 11.148 -0.107 -20.700 240 HB2 ASP 35 HB2 ASP 35 11.432 1.122 -22.882 241 HB3 ASP 35 HB3 ASP 35 12.652 2.133 -22.121 242 H ARG 36 H ARG 36 11.209 2.121 -18.479 243 HA ARG 36 HA ARG 36 13.996 2.054 -17.640 244 HB2 ARG 36 HB2 ARG 36 11.577 3.314 -16.297 245 HB3 ARG 36 HB3 ARG 36 13.247 3.504 -15.767 246 HG2 ARG 36 HG2 ARG 36 12.112 4.449 -18.429 247 HG3 ARG 36 HG3 ARG 36 12.456 5.470 -17.034 248 HD2 ARG 36 HD2 ARG 36 14.277 5.800 -18.537 249 HD3 ARG 36 HD3 ARG 36 14.905 4.756 -17.269 250 HE ARG 36 HE ARG 36 14.914 2.933 -18.797 251 HH11 ARG 36 HH11 ARG 36 14.119 5.923 -20.358 252 HH12 ARG 36 HH12 ARG 36 14.399 5.279 -21.936 253 HH21 ARG 36 HH21 ARG 36 15.246 2.154 -20.836 254 HH22 ARG 36 HH22 ARG 36 15.016 3.187 -22.200 255 H GLY 37 H GLY 37 11.066 0.299 -16.874 256 HA2 GLY 37 HA2 GLY 37 10.878 -1.782 -15.889 257 HA3 GLY 37 HA3 GLY 37 12.603 -1.771 -15.586 258 H SER 38 H SER 38 13.302 -0.288 -13.723 259 HA SER 38 HA SER 38 11.855 -0.942 -11.335 260 HB2 SER 38 HB2 SER 38 14.287 0.851 -11.721 261 HB3 SER 38 HB3 SER 38 13.668 0.314 -10.159 262 HG SER 38 HG SER 38 13.979 -1.845 -11.681 263 H HIS 39 H HIS 39 9.819 0.079 -11.796 264 HA HIS 39 HA HIS 39 9.385 2.570 -10.480 265 HB2 HIS 39 HB2 HIS 39 10.224 3.526 -12.587 266 HB3 HIS 39 HB3 HIS 39 9.101 2.557 -13.525 267 HD1 HIS 39 HD1 HIS 39 6.733 3.423 -13.792 268 HD2 HIS 39 HD2 HIS 39 9.037 5.794 -11.283 269 HE1 HIS 39 HE1 HIS 39 5.419 5.532 -13.483 270 HE2 HIS 39 HE2 HIS 39 6.745 6.858 -11.819 271 H THR 40 H THR 40 8.394 -0.418 -11.303 272 HA THR 40 HA THR 40 5.583 0.093 -11.960 273 HB THR 40 HB THR 40 5.419 -2.284 -12.502 274 HG1 THR 40 HG1 THR 40 7.197 -3.687 -12.179 275 HG21 THR 40 HG21 THR 40 8.058 -1.186 -13.516 276 HG22 THR 40 HG22 THR 40 6.471 -0.890 -14.235 277 HG23 THR 40 HG23 THR 40 7.154 -2.519 -14.239 278 H VAL 41 H VAL 41 4.211 0.340 -10.323 279 HA VAL 41 HA VAL 41 4.296 -1.491 -7.994 280 HB VAL 41 HB VAL 41 3.189 1.354 -7.853 281 HG11 VAL 41 HG11 VAL 41 2.250 -0.246 -6.218 282 HG12 VAL 41 HG12 VAL 41 3.227 0.977 -5.407 283 HG13 VAL 41 HG13 VAL 41 3.877 -0.644 -5.654 284 HG21 VAL 41 HG21 VAL 41 5.609 1.569 -8.259 285 HG22 VAL 41 HG22 VAL 41 5.951 0.460 -6.933 286 HG23 VAL 41 HG23 VAL 41 5.224 2.032 -6.597 287 H CYS 42 H CYS 42 2.505 -2.747 -7.910 288 HA CYS 42 HA CYS 42 -0.136 -1.538 -8.472 289 HB2 CYS 42 HB2 CYS 42 0.751 -4.322 -9.350 290 HB3 CYS 42 HB3 CYS 42 -0.921 -3.756 -9.374 291 HG CYS 42 HG CYS 42 -0.491 -3.363 -11.913 292 H ALA 43 H ALA 43 -1.112 -1.467 -6.538 293 HA ALA 43 HA ALA 43 -0.829 -3.622 -4.550 294 HB1 ALA 43 HB1 ALA 43 -0.188 -0.695 -3.962 295 HB2 ALA 43 HB2 ALA 43 0.992 -2.003 -4.054 296 HB3 ALA 43 HB3 ALA 43 -0.223 -2.005 -2.776 297 H GLU 44 H GLU 44 -2.562 -3.568 -2.956 298 HA GLU 44 HA GLU 44 -4.878 -1.954 -3.873 299 HB2 GLU 44 HB2 GLU 44 -4.943 -4.524 -4.199 300 HB3 GLU 44 HB3 GLU 44 -5.168 -4.618 -2.450 301 HG2 GLU 44 HG2 GLU 44 -7.129 -3.044 -2.723 302 HG3 GLU 44 HG3 GLU 44 -6.919 -3.203 -4.469 303 H MET 45 H MET 45 -5.630 -0.541 -2.506 304 HA MET 45 HA MET 45 -5.195 -0.777 0.407 305 HB2 MET 45 HB2 MET 45 -6.056 1.746 -1.109 306 HB3 MET 45 HB3 MET 45 -5.392 1.608 0.519 307 HG2 MET 45 HG2 MET 45 -3.819 0.967 -1.989 308 HG3 MET 45 HG3 MET 45 -3.754 2.508 -1.138 309 HE1 MET 45 HE1 MET 45 -2.780 2.831 1.274 310 HE2 MET 45 HE2 MET 45 -2.216 1.499 2.287 311 HE3 MET 45 HE3 MET 45 -3.924 1.629 1.873 312 H THR 46 H THR 46 -6.969 -0.902 1.760 313 HA THR 46 HA THR 46 -9.660 -1.120 0.639 314 HB THR 46 HB THR 46 -9.110 -2.750 2.373 315 HG1 THR 46 HG1 THR 46 -10.870 -2.165 3.903 316 HG21 THR 46 HG21 THR 46 -8.706 -0.409 4.276 317 HG22 THR 46 HG22 THR 46 -7.438 -1.471 3.663 318 HG23 THR 46 HG23 THR 46 -8.690 -2.119 4.720 319 H GLU 47 H GLU 47 -11.482 0.099 1.537 320 HA GLU 47 HA GLU 47 -11.062 2.877 1.291 321 HB2 GLU 47 HB2 GLU 47 -13.218 1.723 0.705 322 HB3 GLU 47 HB3 GLU 47 -13.556 1.555 2.428 323 HG2 GLU 47 HG2 GLU 47 -13.498 4.039 2.664 324 HG3 GLU 47 HG3 GLU 47 -13.231 4.176 0.920 325 H GLU 48 H GLU 48 -11.225 0.816 4.090 326 HA GLU 48 HA GLU 48 -11.747 2.455 6.245 327 HB2 GLU 48 HB2 GLU 48 -9.597 0.296 6.078 328 HB3 GLU 48 HB3 GLU 48 -10.341 0.889 7.566 329 HG2 GLU 48 HG2 GLU 48 -12.479 -0.034 6.946 330 HG3 GLU 48 HG3 GLU 48 -11.900 -0.446 5.333 331 H PHE 49 H PHE 49 -8.561 2.004 4.657 332 HA PHE 49 HA PHE 49 -7.269 4.089 6.180 333 HB2 PHE 49 HB2 PHE 49 -5.922 2.219 5.328 334 HB3 PHE 49 HB3 PHE 49 -6.313 2.663 3.665 335 HD1 PHE 49 HD2 PHE 49 -4.783 4.111 6.783 336 HD2 PHE 49 HD1 PHE 49 -4.825 4.120 2.499 337 HE1 PHE 49 HE2 PHE 49 -2.916 5.707 6.760 338 HE2 PHE 49 HE1 PHE 49 -2.964 5.725 2.499 339 HZ PHE 49 HZ PHE 49 -2.006 6.519 4.622 340 H LEU 50 H LEU 50 -8.737 3.923 2.912 341 HA LEU 50 HA LEU 50 -7.774 6.433 1.964 342 HB2 LEU 50 HB2 LEU 50 -9.952 4.558 1.049 343 HB3 LEU 50 HB3 LEU 50 -9.871 6.152 0.346 344 HG LEU 50 HG LEU 50 -7.580 5.741 -0.453 345 HD11 LEU 50 HD11 LEU 50 -6.590 3.523 -0.372 346 HD12 LEU 50 HD12 LEU 50 -7.920 2.939 0.629 347 HD13 LEU 50 HD13 LEU 50 -6.820 4.174 1.248 348 HD21 LEU 50 HD21 LEU 50 -9.467 5.289 -1.946 349 HD22 LEU 50 HD22 LEU 50 -9.577 3.633 -1.342 350 HD23 LEU 50 HD23 LEU 50 -8.151 4.153 -2.243 351 H LEU 51 H LEU 51 -10.499 5.663 3.977 352 HA LEU 51 HA LEU 51 -11.767 8.240 3.916 353 HB2 LEU 51 HB2 LEU 51 -11.935 5.972 5.937 354 HB3 LEU 51 HB3 LEU 51 -12.939 7.409 5.981 355 HG LEU 51 HG LEU 51 -12.947 5.363 3.739 356 HD11 LEU 51 HD11 LEU 51 -13.881 4.403 5.774 357 HD12 LEU 51 HD12 LEU 51 -15.145 4.667 4.576 358 HD13 LEU 51 HD13 LEU 51 -14.988 5.770 5.948 359 HD21 LEU 51 HD21 LEU 51 -14.931 6.540 2.897 360 HD22 LEU 51 HD22 LEU 51 -13.522 7.595 2.915 361 HD23 LEU 51 HD23 LEU 51 -14.763 7.762 4.160 362 H PHE 52 H PHE 52 -9.550 6.567 6.204 363 HA PHE 52 HA PHE 52 -9.059 8.670 8.004 364 HB2 PHE 52 HB2 PHE 52 -8.356 6.443 8.596 365 HB3 PHE 52 HB3 PHE 52 -7.352 6.294 7.159 366 HD1 PHE 52 HD1 PHE 52 -7.634 8.568 10.170 367 HD2 PHE 52 HD2 PHE 52 -5.028 6.445 7.507 368 HE1 PHE 52 HE1 PHE 52 -5.678 9.348 11.443 369 HE2 PHE 52 HE2 PHE 52 -3.087 7.232 8.794 370 HZ PHE 52 HZ PHE 52 -3.407 8.683 10.757 371 H SER 53 H SER 53 -7.667 8.071 4.809 372 HA SER 53 HA SER 53 -5.472 9.850 4.833 373 HB2 SER 53 HB2 SER 53 -5.854 8.164 3.041 374 HB3 SER 53 HB3 SER 53 -7.245 9.079 2.470 375 HG SER 53 HG SER 53 -5.801 10.807 1.976 376 H ARG 54 H ARG 54 -8.899 10.365 4.173 377 HA ARG 54 HA ARG 54 -8.744 13.172 3.560 378 HB2 ARG 54 HB2 ARG 54 -10.584 11.825 2.708 379 HB3 ARG 54 HB3 ARG 54 -11.063 11.365 4.336 380 HG2 ARG 54 HG2 ARG 54 -11.680 13.737 4.804 381 HG3 ARG 54 HG3 ARG 54 -11.224 14.161 3.150 382 HD2 ARG 54 HD2 ARG 54 -12.963 12.627 2.288 383 HD3 ARG 54 HD3 ARG 54 -13.421 12.226 3.946 384 HE ARG 54 HE ARG 54 -14.035 14.622 4.207 385 HH11 ARG 54 HH11 ARG 54 -13.905 13.335 0.992 386 HH12 ARG 54 HH12 ARG 54 -15.137 14.401 0.411 387 HH21 ARG 54 HH21 ARG 54 -15.590 15.970 3.439 388 HH22 ARG 54 HH22 ARG 54 -16.068 15.883 1.780 389 H ASP 55 H ASP 55 -9.758 11.289 6.447 390 HA ASP 55 HA ASP 55 -10.440 13.510 8.082 391 HB2 ASP 55 HB2 ASP 55 -9.794 10.620 8.783 392 HB3 ASP 55 HB3 ASP 55 -10.382 11.791 9.963 393 H ARG 56 H ARG 56 -7.339 12.138 7.356 394 HA ARG 56 HA ARG 56 -5.991 13.591 9.524 395 HB2 ARG 56 HB2 ARG 56 -5.171 11.321 8.972 396 HB3 ARG 56 HB3 ARG 56 -4.856 11.817 7.315 397 HG2 ARG 56 HG2 ARG 56 -2.771 11.752 8.566 398 HG3 ARG 56 HG3 ARG 56 -3.145 13.417 8.119 399 HD2 ARG 56 HD2 ARG 56 -4.089 13.733 10.454 400 HD3 ARG 56 HD3 ARG 56 -3.462 12.127 10.855 401 HE ARG 56 HE ARG 56 -1.407 13.728 9.754 402 HH11 ARG 56 HH11 ARG 56 -3.155 13.354 12.720 403 HH12 ARG 56 HH12 ARG 56 -1.911 14.109 13.648 404 HH21 ARG 56 HH21 ARG 56 0.135 14.683 10.963 405 HH22 ARG 56 HH22 ARG 56 -0.086 14.856 12.671 406 H GLY 57 H GLY 57 -5.838 13.431 5.929 407 HA2 GLY 57 HA2 GLY 57 -5.016 16.297 5.847 408 HA3 GLY 57 HA3 GLY 57 -4.309 15.076 4.800 409 H ASN 58 H ASN 58 -5.568 14.198 3.082 410 HA ASN 58 HA ASN 58 -8.214 15.212 2.488 411 HB2 ASN 58 HB2 ASN 58 -7.674 16.336 0.383 412 HB3 ASN 58 HB3 ASN 58 -6.754 17.089 1.680 413 HD21 ASN 58 HD21 ASN 58 -4.587 15.269 1.870 414 HD22 ASN 58 HD22 ASN 58 -3.680 15.358 0.410 415 H ASP 59 H ASP 59 -9.267 14.064 0.824 416 HA ASP 59 HA ASP 59 -7.891 11.671 -0.255 417 HB2 ASP 59 HB2 ASP 59 -10.032 10.642 -0.515 418 HB3 ASP 59 HB3 ASP 59 -10.076 11.407 1.067 419 H LEU 60 H LEU 60 -8.567 11.093 -2.545 420 HA LEU 60 HA LEU 60 -9.107 13.459 -4.273 421 HB2 LEU 60 HB2 LEU 60 -7.359 11.039 -4.887 422 HB3 LEU 60 HB3 LEU 60 -7.747 12.312 -6.038 423 HG LEU 60 HG LEU 60 -6.126 12.690 -3.479 424 HD11 LEU 60 HD11 LEU 60 -4.181 12.988 -4.947 425 HD12 LEU 60 HD12 LEU 60 -5.171 12.613 -6.360 426 HD13 LEU 60 HD13 LEU 60 -4.885 11.381 -5.128 427 HD21 LEU 60 HD21 LEU 60 -7.355 14.735 -4.048 428 HD22 LEU 60 HD22 LEU 60 -6.720 14.691 -5.695 429 HD23 LEU 60 HD23 LEU 60 -5.628 14.955 -4.332 430 H MET 61 H MET 61 -10.741 11.034 -3.045 431 HA MET 61 HA MET 61 -11.799 9.868 -5.555 432 HB2 MET 61 HB2 MET 61 -12.450 7.897 -4.118 433 HB3 MET 61 HB3 MET 61 -10.724 8.163 -4.279 434 HG2 MET 61 HG2 MET 61 -11.098 7.541 -2.021 435 HG3 MET 61 HG3 MET 61 -10.786 9.277 -2.005 436 HE1 MET 61 HE1 MET 61 -11.766 9.309 0.526 437 HE2 MET 61 HE2 MET 61 -12.122 7.582 0.433 438 HE3 MET 61 HE3 MET 61 -13.373 8.716 0.941 439 H THR 62 H THR 62 -12.707 12.313 -3.694 440 HA THR 62 HA THR 62 -15.490 11.813 -3.255 441 HB THR 62 HB THR 62 -14.027 14.459 -3.673 442 HG1 THR 62 HG1 THR 62 -13.842 12.883 -1.683 443 HG21 THR 62 HG21 THR 62 -16.865 14.007 -2.660 444 HG22 THR 62 HG22 THR 62 -16.426 14.773 -4.188 445 HG23 THR 62 HG23 THR 62 -16.014 15.551 -2.659 446 HA PRO 63 HA PRO 63 -16.694 11.737 -7.692 447 HB2 PRO 63 HB2 PRO 63 -19.462 11.839 -6.515 448 HB3 PRO 63 HB3 PRO 63 -18.771 10.699 -7.680 449 HG2 PRO 63 HG2 PRO 63 -19.164 9.949 -5.146 450 HG3 PRO 63 HG3 PRO 63 -17.691 9.440 -6.004 451 HD2 PRO 63 HD2 PRO 63 -18.035 11.679 -3.994 452 HD3 PRO 63 HD3 PRO 63 -16.747 10.454 -4.105 453 H ARG 64 H ARG 64 -16.253 13.692 -8.634 454 HA ARG 64 HA ARG 64 -17.753 16.122 -7.941 455 HB2 ARG 64 HB2 ARG 64 -15.454 15.705 -9.907 456 HB3 ARG 64 HB3 ARG 64 -16.207 17.260 -9.548 457 HG2 ARG 64 HG2 ARG 64 -15.477 17.036 -7.174 458 HG3 ARG 64 HG3 ARG 64 -14.664 15.524 -7.590 459 HD2 ARG 64 HD2 ARG 64 -13.054 17.361 -7.529 460 HD3 ARG 64 HD3 ARG 64 -13.208 16.753 -9.177 461 HE ARG 64 HE ARG 64 -14.933 18.801 -9.230 462 HH11 ARG 64 HH11 ARG 64 -11.700 18.720 -8.000 463 HH12 ARG 64 HH12 ARG 64 -11.417 20.383 -8.377 464 HH21 ARG 64 HH21 ARG 64 -14.535 20.932 -9.679 465 HH22 ARG 64 HH22 ARG 64 -12.982 21.606 -9.307 466 HA PRO 65 HA PRO 65 -20.781 15.282 -11.201 467 HB2 PRO 65 HB2 PRO 65 -21.963 17.767 -11.364 468 HB3 PRO 65 HB3 PRO 65 -22.252 16.648 -10.023 469 HG2 PRO 65 HG2 PRO 65 -20.318 18.971 -10.168 470 HG3 PRO 65 HG3 PRO 65 -21.469 18.568 -8.875 471 HD2 PRO 65 HD2 PRO 65 -18.861 17.925 -8.657 472 HD3 PRO 65 HD3 PRO 65 -20.116 16.824 -8.044 473 H GLU 66 H GLU 66 -18.410 17.801 -11.485 474 HA GLU 66 HA GLU 66 -18.791 18.716 -14.133 475 HB2 GLU 66 HB2 GLU 66 -16.242 18.560 -12.469 476 HB3 GLU 66 HB3 GLU 66 -16.488 19.608 -13.865 477 HG2 GLU 66 HG2 GLU 66 -17.855 21.088 -12.705 478 HG3 GLU 66 HG3 GLU 66 -18.400 19.869 -11.556 479 H PHE 67 H PHE 67 -17.077 15.925 -12.821 480 HA PHE 67 HA PHE 67 -16.097 15.117 -15.513 481 HB2 PHE 67 HB2 PHE 67 -14.915 14.383 -12.793 482 HB3 PHE 67 HB3 PHE 67 -14.251 13.954 -14.366 483 HD1 PHE 67 HD1 PHE 67 -13.296 15.766 -15.853 484 HD2 PHE 67 HD2 PHE 67 -14.458 16.537 -11.801 485 HE1 PHE 67 HE1 PHE 67 -11.979 17.845 -15.859 486 HE2 PHE 67 HE2 PHE 67 -13.135 18.613 -11.822 487 HZ PHE 67 HZ PHE 67 -11.899 19.266 -13.850 488 H ASN 68 H ASN 68 -18.221 14.304 -12.985 489 HA ASN 68 HA ASN 68 -19.365 12.544 -12.214 490 HB2 ASN 68 HB2 ASN 68 -20.085 12.173 -14.545 491 HB3 ASN 68 HB3 ASN 68 -18.649 11.208 -14.858 492 HD21 ASN 68 HD21 ASN 68 -21.723 11.294 -13.178 493 HD22 ASN 68 HD22 ASN 68 -21.834 9.594 -12.905 494 H PHE 69 H PHE 69 -16.647 10.947 -13.909 495 HA PHE 69 HA PHE 69 -16.069 9.105 -11.787 496 HB2 PHE 69 HB2 PHE 69 -14.396 9.819 -14.240 497 HB3 PHE 69 HB3 PHE 69 -14.189 8.394 -13.227 498 HD1 PHE 69 HD1 PHE 69 -15.864 6.546 -13.306 499 HD2 PHE 69 HD2 PHE 69 -16.163 9.915 -15.924 500 HE1 PHE 69 HE1 PHE 69 -17.430 5.301 -14.734 501 HE2 PHE 69 HE2 PHE 69 -17.729 8.660 -17.343 502 HZ PHE 69 HZ PHE 69 -18.362 6.356 -16.755 503 HA PRO 70 HA PRO 70 -13.141 11.997 -9.695 504 HB2 PRO 70 HB2 PRO 70 -13.019 10.775 -7.314 505 HB3 PRO 70 HB3 PRO 70 -14.533 11.532 -7.841 506 HG2 PRO 70 HG2 PRO 70 -13.752 8.611 -7.915 507 HG3 PRO 70 HG3 PRO 70 -15.279 9.342 -7.378 508 HD2 PRO 70 HD2 PRO 70 -14.859 8.272 -9.923 509 HD3 PRO 70 HD3 PRO 70 -16.107 9.479 -9.535 510 H GLY 71 H GLY 71 -11.249 10.892 -7.822 511 HA2 GLY 71 HA2 GLY 71 -9.220 9.733 -9.533 512 HA3 GLY 71 HA3 GLY 71 -9.064 10.145 -7.833 513 H LEU 72 H LEU 72 -7.864 8.108 -7.689 514 HA LEU 72 HA LEU 72 -8.981 5.580 -8.365 515 HB2 LEU 72 HB2 LEU 72 -6.605 6.280 -6.596 516 HB3 LEU 72 HB3 LEU 72 -7.051 4.632 -6.987 517 HG LEU 72 HG LEU 72 -5.229 5.197 -8.414 518 HD11 LEU 72 HD11 LEU 72 -6.982 3.912 -9.518 519 HD12 LEU 72 HD12 LEU 72 -6.118 4.936 -10.660 520 HD13 LEU 72 HD13 LEU 72 -7.729 5.401 -10.108 521 HD21 LEU 72 HD21 LEU 72 -6.680 7.729 -9.251 522 HD22 LEU 72 HD22 LEU 72 -5.148 7.147 -9.908 523 HD23 LEU 72 HD23 LEU 72 -5.252 7.627 -8.218 524 H LYS 73 H LYS 73 -9.979 4.020 -7.181 525 HA LYS 73 HA LYS 73 -11.055 4.732 -4.523 526 HB2 LYS 73 HB2 LYS 73 -12.130 3.046 -6.809 527 HB3 LYS 73 HB3 LYS 73 -12.779 2.869 -5.183 528 HG2 LYS 73 HG2 LYS 73 -12.755 5.467 -6.757 529 HG3 LYS 73 HG3 LYS 73 -14.134 4.365 -6.629 530 HD2 LYS 73 HD2 LYS 73 -14.086 4.687 -4.130 531 HD3 LYS 73 HD3 LYS 73 -12.807 5.887 -4.346 532 HE2 LYS 73 HE2 LYS 73 -14.342 7.302 -5.649 533 HE3 LYS 73 HE3 LYS 73 -15.614 6.084 -5.499 534 HZ1 LYS 73 HZ1 LYS 73 -14.377 7.640 -3.298 535 HZ2 LYS 73 HZ2 LYS 73 -15.481 6.381 -3.074 536 HZ3 LYS 73 HZ3 LYS 73 -15.953 7.785 -3.887 537 H ALA 74 H ALA 74 -11.823 2.581 -3.391 538 HA ALA 74 HA ALA 74 -9.430 1.109 -2.671 539 HB1 ALA 74 HB1 ALA 74 -10.837 0.192 -0.873 540 HB2 ALA 74 HB2 ALA 74 -12.254 0.978 -1.575 541 HB3 ALA 74 HB3 ALA 74 -10.930 1.955 -0.929 542 H GLY 75 H GLY 75 -8.901 -0.881 -3.414 543 HA2 GLY 75 HA2 GLY 75 -9.454 -3.152 -4.053 544 HA3 GLY 75 HA3 GLY 75 -10.942 -2.576 -4.774 545 H ASP 76 H ASP 76 -8.903 -0.283 -5.773 546 HA ASP 76 HA ASP 76 -8.491 -1.502 -8.388 547 HB2 ASP 76 HB2 ASP 76 -8.029 1.339 -7.379 548 HB3 ASP 76 HB3 ASP 76 -7.803 0.826 -9.052 549 H ARG 77 H ARG 77 -6.864 -3.047 -7.859 550 HA ARG 77 HA ARG 77 -4.248 -2.140 -6.921 551 HB2 ARG 77 HB2 ARG 77 -3.719 -4.736 -7.435 552 HB3 ARG 77 HB3 ARG 77 -4.525 -4.216 -5.972 553 HG2 ARG 77 HG2 ARG 77 -5.619 -6.200 -6.841 554 HG3 ARG 77 HG3 ARG 77 -6.719 -4.831 -6.946 555 HD2 ARG 77 HD2 ARG 77 -6.174 -4.628 -9.373 556 HD3 ARG 77 HD3 ARG 77 -5.151 -6.059 -9.241 557 HE ARG 77 HE ARG 77 -7.345 -7.159 -8.443 558 HH11 ARG 77 HH11 ARG 77 -7.206 -4.707 -10.890 559 HH12 ARG 77 HH12 ARG 77 -8.604 -5.311 -11.707 560 HH21 ARG 77 HH21 ARG 77 -9.103 -7.904 -9.511 561 HH22 ARG 77 HH22 ARG 77 -9.658 -7.102 -10.939 562 H TRP 78 H TRP 78 -3.610 -0.743 -8.577 563 HA TRP 78 HA TRP 78 -1.911 -1.732 -10.578 564 HB2 TRP 78 HB2 TRP 78 -4.098 -2.326 -11.738 565 HB3 TRP 78 HB3 TRP 78 -4.501 -0.615 -11.770 566 HD1 TRP 78 HD1 TRP 78 -1.756 -3.000 -13.157 567 HE1 TRP 78 HE1 TRP 78 -0.939 -2.063 -15.402 568 HE3 TRP 78 HE3 TRP 78 -4.446 1.358 -13.260 569 HZ2 TRP 78 HZ2 TRP 78 -1.365 0.204 -17.017 570 HZ3 TRP 78 HZ3 TRP 78 -4.181 2.863 -15.199 571 HH2 TRP 78 HH2 TRP 78 -2.668 2.296 -17.042 572 H CYS 79 H CYS 79 -0.422 -0.152 -10.744 573 HA CYS 79 HA CYS 79 0.675 1.820 -10.647 574 HB2 CYS 79 HB2 CYS 79 -1.898 2.830 -11.894 575 HB3 CYS 79 HB3 CYS 79 -0.435 3.804 -11.766 576 HG CYS 79 HG CYS 79 1.099 2.157 -13.406 577 H LEU 80 H LEU 80 -0.961 1.043 -8.283 578 HA LEU 80 HA LEU 80 -1.880 3.354 -6.907 579 HB2 LEU 80 HB2 LEU 80 -2.502 1.003 -6.267 580 HB3 LEU 80 HB3 LEU 80 -0.844 0.699 -5.792 581 HG LEU 80 HG LEU 80 -2.633 1.100 -3.942 582 HD11 LEU 80 HD11 LEU 80 -0.033 2.642 -3.738 583 HD12 LEU 80 HD12 LEU 80 -0.273 0.934 -3.371 584 HD13 LEU 80 HD13 LEU 80 -1.066 2.161 -2.388 585 HD21 LEU 80 HD21 LEU 80 -2.172 4.012 -4.664 586 HD22 LEU 80 HD22 LEU 80 -3.070 3.406 -3.268 587 HD23 LEU 80 HD23 LEU 80 -3.668 3.104 -4.897 588 H CYS 81 H CYS 81 -0.695 5.003 -6.119 589 HA CYS 81 HA CYS 81 2.120 5.216 -6.123 590 HB2 CYS 81 HB2 CYS 81 0.134 6.807 -4.442 591 HB3 CYS 81 HB3 CYS 81 1.780 7.299 -4.847 592 HG CYS 81 HG CYS 81 0.374 8.898 -6.459 593 H ALA 82 H ALA 82 3.425 3.928 -4.902 594 HA ALA 82 HA ALA 82 2.514 2.241 -2.860 595 HB1 ALA 82 HB1 ALA 82 4.425 1.732 -4.343 596 HB2 ALA 82 HB2 ALA 82 4.801 1.465 -2.640 597 HB3 ALA 82 HB3 ALA 82 5.396 2.903 -3.464 598 H SER 83 H SER 83 3.856 5.467 -2.546 599 HA SER 83 HA SER 83 4.646 5.427 0.179 600 HB2 SER 83 HB2 SER 83 3.600 7.769 -1.460 601 HB3 SER 83 HB3 SER 83 4.452 7.902 0.085 602 HG SER 83 HG SER 83 6.253 6.881 -0.932 603 H ARG 84 H ARG 84 1.458 5.865 -1.309 604 HA ARG 84 HA ARG 84 -0.170 6.558 0.872 605 HB2 ARG 84 HB2 ARG 84 -0.884 6.337 -1.552 606 HB3 ARG 84 HB3 ARG 84 -0.824 4.591 -1.382 607 HG2 ARG 84 HG2 ARG 84 -3.115 5.197 -1.239 608 HG3 ARG 84 HG3 ARG 84 -2.623 4.815 0.411 609 HD2 ARG 84 HD2 ARG 84 -4.052 6.849 0.310 610 HD3 ARG 84 HD3 ARG 84 -2.444 7.211 0.939 611 HE ARG 84 HE ARG 84 -1.974 8.459 -0.952 612 HH11 ARG 84 HH11 ARG 84 -5.023 6.871 -1.470 613 HH12 ARG 84 HH12 ARG 84 -5.407 7.852 -2.839 614 HH21 ARG 84 HH21 ARG 84 -2.525 9.696 -2.691 615 HH22 ARG 84 HH22 ARG 84 -4.030 9.432 -3.499 616 H TRP 85 H TRP 85 0.869 3.385 -0.270 617 HA TRP 85 HA TRP 85 -0.306 1.787 1.794 618 HB2 TRP 85 HB2 TRP 85 -0.063 0.733 -0.290 619 HB3 TRP 85 HB3 TRP 85 1.584 1.311 -0.513 620 HD1 TRP 85 HD1 TRP 85 3.036 -0.739 -0.640 621 HE1 TRP 85 HE1 TRP 85 3.407 -2.832 0.794 622 HE3 TRP 85 HE3 TRP 85 -0.852 -0.246 2.651 623 HZ2 TRP 85 HZ2 TRP 85 2.224 -4.131 2.947 624 HZ3 TRP 85 HZ3 TRP 85 -1.154 -1.985 4.351 625 HH2 TRP 85 HH2 TRP 85 0.363 -3.894 4.489 626 H GLN 86 H GLN 86 2.944 3.101 1.274 627 HA GLN 86 HA GLN 86 4.336 1.689 3.282 628 HB2 GLN 86 HB2 GLN 86 5.485 2.790 1.408 629 HB3 GLN 86 HB3 GLN 86 4.954 4.368 1.963 630 HG2 GLN 86 HG2 GLN 86 7.328 3.978 2.470 631 HG3 GLN 86 HG3 GLN 86 6.383 4.208 3.938 632 HE21 GLN 86 HE21 GLN 86 6.156 2.478 5.372 633 HE22 GLN 86 HE22 GLN 86 7.056 1.008 5.233 634 H GLU 87 H GLU 87 2.913 4.958 3.290 635 HA GLU 87 HA GLU 87 3.492 5.592 6.000 636 HB2 GLU 87 HB2 GLU 87 3.011 7.290 4.233 637 HB3 GLU 87 HB3 GLU 87 1.331 6.769 4.198 638 HG2 GLU 87 HG2 GLU 87 1.020 7.523 6.509 639 HG3 GLU 87 HG3 GLU 87 2.724 7.951 6.621 640 H ALA 88 H ALA 88 0.844 3.835 4.480 641 HA ALA 88 HA ALA 88 -1.067 3.905 6.580 642 HB1 ALA 88 HB1 ALA 88 -1.631 3.208 4.283 643 HB2 ALA 88 HB2 ALA 88 -2.112 1.985 5.462 644 HB3 ALA 88 HB3 ALA 88 -0.661 1.745 4.479 645 H PHE 89 H PHE 89 1.573 1.641 5.831 646 HA PHE 89 HA PHE 89 1.146 -0.160 7.985 647 HB2 PHE 89 HB2 PHE 89 2.464 -0.765 6.001 648 HB3 PHE 89 HB3 PHE 89 3.679 0.441 6.407 649 HD1 PHE 89 HD2 PHE 89 2.056 -2.677 7.736 650 HD2 PHE 89 HD1 PHE 89 5.551 -0.199 7.743 651 HE1 PHE 89 HE2 PHE 89 3.257 -4.356 9.069 652 HE2 PHE 89 HE1 PHE 89 6.739 -1.891 9.078 653 HZ PHE 89 HZ PHE 89 5.594 -3.967 9.740 654 H GLU 90 H GLU 90 3.352 2.612 7.611 655 HA GLU 90 HA GLU 90 4.556 2.522 10.176 656 HB2 GLU 90 HB2 GLU 90 4.198 4.865 8.261 657 HB3 GLU 90 HB3 GLU 90 5.294 4.860 9.644 658 HG2 GLU 90 HG2 GLU 90 6.608 3.059 8.644 659 HG3 GLU 90 HG3 GLU 90 5.478 2.942 7.296 660 H ALA 91 H ALA 91 1.490 3.855 9.127 661 HA ALA 91 HA ALA 91 0.951 5.448 11.487 662 HB1 ALA 91 HB1 ALA 91 -0.078 5.981 9.305 663 HB2 ALA 91 HB2 ALA 91 -1.309 5.697 10.538 664 HB3 ALA 91 HB3 ALA 91 -0.957 4.451 9.335 665 H GLY 92 H GLY 92 0.585 2.087 10.625 666 HA2 GLY 92 HA2 GLY 92 0.450 0.422 12.350 667 HA3 GLY 92 HA3 GLY 92 -0.555 1.499 13.300 668 H MET 93 H MET 93 -1.797 1.788 10.273 669 HA MET 93 HA MET 93 -4.003 -0.053 10.806 670 HB2 MET 93 HB2 MET 93 -3.624 1.929 8.513 671 HB3 MET 93 HB3 MET 93 -5.095 1.011 8.828 672 HG2 MET 93 HG2 MET 93 -5.388 3.262 9.622 673 HG3 MET 93 HG3 MET 93 -5.293 2.189 11.022 674 HE1 MET 93 HE1 MET 93 -3.558 5.467 12.342 675 HE2 MET 93 HE2 MET 93 -4.836 4.286 12.626 676 HE3 MET 93 HE3 MET 93 -4.935 5.380 11.243 677 H ALA 94 H ALA 94 -2.319 0.654 7.743 678 HA ALA 94 HA ALA 94 -1.583 -0.552 6.015 679 HB1 ALA 94 HB1 ALA 94 -0.913 -2.667 8.064 680 HB2 ALA 94 HB2 ALA 94 0.061 -1.247 7.701 681 HB3 ALA 94 HB3 ALA 94 -0.187 -2.476 6.462 682 HA PRO 95 HA PRO 95 -5.396 -2.997 4.853 683 HB2 PRO 95 HB2 PRO 95 -4.163 -1.996 2.265 684 HB3 PRO 95 HB3 PRO 95 -5.874 -2.126 2.721 685 HG2 PRO 95 HG2 PRO 95 -4.724 0.244 2.800 686 HG3 PRO 95 HG3 PRO 95 -5.762 -0.248 4.158 687 HD2 PRO 95 HD2 PRO 95 -2.739 -0.228 3.991 688 HD3 PRO 95 HD3 PRO 95 -3.798 0.299 5.322 689 HA PRO 96 HA PRO 96 -3.188 -6.719 3.315 690 HB2 PRO 96 HB2 PRO 96 -5.191 -7.937 1.879 691 HB3 PRO 96 HB3 PRO 96 -5.122 -7.959 3.647 692 HG2 PRO 96 HG2 PRO 96 -6.738 -6.167 1.833 693 HG3 PRO 96 HG3 PRO 96 -7.247 -6.997 3.319 694 HD2 PRO 96 HD2 PRO 96 -6.578 -4.359 3.290 695 HD3 PRO 96 HD3 PRO 96 -6.269 -5.392 4.701 696 H VAL 97 H VAL 97 -1.673 -6.498 1.766 697 HA VAL 97 HA VAL 97 -2.273 -5.178 -0.797 698 HB VAL 97 HB VAL 97 -0.472 -4.203 0.626 699 HG11 VAL 97 HG11 VAL 97 1.678 -5.324 0.949 700 HG12 VAL 97 HG12 VAL 97 1.064 -6.783 0.160 701 HG13 VAL 97 HG13 VAL 97 0.368 -6.247 1.694 702 HG21 VAL 97 HG21 VAL 97 0.582 -5.317 -2.005 703 HG22 VAL 97 HG22 VAL 97 1.277 -3.961 -1.111 704 HG23 VAL 97 HG23 VAL 97 -0.343 -3.826 -1.797 705 H VAL 98 H VAL 98 -1.273 -6.060 -2.737 706 HA VAL 98 HA VAL 98 -1.457 -8.981 -2.937 707 HB VAL 98 HB VAL 98 -1.313 -8.433 -5.497 708 HG11 VAL 98 HG11 VAL 98 -3.684 -7.826 -5.635 709 HG12 VAL 98 HG12 VAL 98 -3.694 -7.421 -3.916 710 HG13 VAL 98 HG13 VAL 98 -3.410 -9.086 -4.432 711 HG21 VAL 98 HG21 VAL 98 -1.898 -5.620 -4.468 712 HG22 VAL 98 HG22 VAL 98 -1.972 -6.136 -6.157 713 HG23 VAL 98 HG23 VAL 98 -0.428 -6.128 -5.304 714 H LEU 99 H LEU 99 0.591 -9.836 -2.242 715 HA LEU 99 HA LEU 99 3.075 -8.930 -3.407 716 HB2 LEU 99 HB2 LEU 99 2.306 -10.994 -1.453 717 HB3 LEU 99 HB3 LEU 99 3.584 -11.557 -2.510 718 HG LEU 99 HG LEU 99 3.700 -9.053 -0.781 719 HD11 LEU 99 HD11 LEU 99 5.139 -11.699 -0.463 720 HD12 LEU 99 HD12 LEU 99 3.834 -11.081 0.552 721 HD13 LEU 99 HD13 LEU 99 5.387 -10.253 0.522 722 HD21 LEU 99 HD21 LEU 99 5.832 -10.235 -2.607 723 HD22 LEU 99 HD22 LEU 99 6.076 -8.903 -1.473 724 HD23 LEU 99 HD23 LEU 99 4.979 -8.704 -2.836 725 H GLN 100 H GLN 100 0.572 -10.971 -4.502 726 HA GLN 100 HA GLN 100 2.000 -12.444 -6.509 727 HB2 GLN 100 HB2 GLN 100 -0.240 -13.025 -7.348 728 HB3 GLN 100 HB3 GLN 100 -0.173 -13.187 -5.596 729 HG2 GLN 100 HG2 GLN 100 -1.293 -10.950 -5.390 730 HG3 GLN 100 HG3 GLN 100 -1.444 -10.907 -7.148 731 HE21 GLN 100 HE21 GLN 100 -2.596 -12.369 -4.217 732 HE22 GLN 100 HE22 GLN 100 -3.977 -13.142 -4.906 733 H SER 101 H SER 101 1.189 -9.123 -6.321 734 HA SER 101 HA SER 101 1.375 -8.771 -9.265 735 HB2 SER 101 HB2 SER 101 -0.965 -8.456 -8.617 736 HB3 SER 101 HB3 SER 101 -0.501 -7.275 -7.399 737 HG SER 101 HG SER 101 -0.693 -7.013 -10.152 738 H THR 102 H THR 102 1.821 -7.097 -6.078 739 HA THR 102 HA THR 102 3.431 -4.974 -6.901 740 HB THR 102 HB THR 102 4.576 -5.048 -4.656 741 HG1 THR 102 HG1 THR 102 4.591 -7.257 -4.250 742 HG21 THR 102 HG21 THR 102 2.588 -4.580 -3.283 743 HG22 THR 102 HG22 THR 102 1.559 -5.301 -4.524 744 HG23 THR 102 HG23 THR 102 2.459 -3.823 -4.873 745 H GLU 103 H GLU 103 4.872 -5.386 -8.505 746 HA GLU 103 HA GLU 103 6.934 -7.333 -8.555 747 HB2 GLU 103 HB2 GLU 103 6.174 -6.122 -10.556 748 HB3 GLU 103 HB3 GLU 103 6.691 -4.590 -9.876 749 HG2 GLU 103 HG2 GLU 103 8.221 -5.339 -11.627 750 HG3 GLU 103 HG3 GLU 103 9.040 -5.265 -10.066 751 H LYS 104 H LYS 104 9.218 -7.052 -8.139 752 HA LYS 104 HA LYS 104 9.998 -5.896 -5.722 753 HB2 LYS 104 HB2 LYS 104 11.140 -7.794 -6.890 754 HB3 LYS 104 HB3 LYS 104 11.769 -6.677 -8.089 755 HG2 LYS 104 HG2 LYS 104 12.453 -6.246 -5.177 756 HG3 LYS 104 HG3 LYS 104 13.273 -7.526 -6.071 757 HD2 LYS 104 HD2 LYS 104 14.177 -5.920 -7.668 758 HD3 LYS 104 HD3 LYS 104 13.232 -4.610 -6.960 759 HE2 LYS 104 HE2 LYS 104 14.520 -4.823 -4.857 760 HE3 LYS 104 HE3 LYS 104 15.468 -6.128 -5.578 761 HZ1 LYS 104 HZ1 LYS 104 15.355 -3.331 -6.557 762 HZ2 LYS 104 HZ2 LYS 104 16.270 -4.580 -7.234 763 HZ3 LYS 104 HZ3 LYS 104 16.621 -4.025 -5.679 764 H SER 105 H SER 105 9.796 -4.389 -8.877 765 HA SER 105 HA SER 105 11.481 -2.157 -8.653 766 HB2 SER 105 HB2 SER 105 8.753 -2.317 -9.991 767 HB3 SER 105 HB3 SER 105 10.015 -1.133 -10.352 768 HG SER 105 HG SER 105 9.677 -3.358 -11.554 769 H ALA 106 H ALA 106 8.367 -2.772 -7.169 770 HA ALA 106 HA ALA 106 7.544 -0.192 -6.409 771 HB1 ALA 106 HB1 ALA 106 6.996 -2.816 -4.978 772 HB2 ALA 106 HB2 ALA 106 6.070 -2.174 -6.336 773 HB3 ALA 106 HB3 ALA 106 6.077 -1.317 -4.793 774 H LEU 107 H LEU 107 10.066 -2.200 -5.067 775 HA LEU 107 HA LEU 107 10.155 -1.179 -2.410 776 HB2 LEU 107 HB2 LEU 107 12.104 -2.755 -4.091 777 HB3 LEU 107 HB3 LEU 107 12.622 -2.112 -2.544 778 HG LEU 107 HG LEU 107 10.893 -3.436 -1.378 779 HD11 LEU 107 HD11 LEU 107 9.580 -5.169 -2.527 780 HD12 LEU 107 HD12 LEU 107 10.156 -4.577 -4.089 781 HD13 LEU 107 HD13 LEU 107 9.143 -3.549 -3.071 782 HD21 LEU 107 HD21 LEU 107 11.897 -5.659 -1.702 783 HD22 LEU 107 HD22 LEU 107 13.129 -4.398 -1.682 784 HD23 LEU 107 HD23 LEU 107 12.631 -5.119 -3.217 785 H ARG 108 H ARG 108 10.991 0.460 -5.264 786 HA ARG 108 HA ARG 108 12.938 2.270 -4.209 787 HB2 ARG 108 HB2 ARG 108 10.913 2.578 -6.446 788 HB3 ARG 108 HB3 ARG 108 12.086 3.827 -6.041 789 HG2 ARG 108 HG2 ARG 108 13.918 2.187 -6.547 790 HG3 ARG 108 HG3 ARG 108 12.684 1.040 -7.088 791 HD2 ARG 108 HD2 ARG 108 13.740 2.340 -8.963 792 HD3 ARG 108 HD3 ARG 108 11.988 2.538 -8.870 793 HE ARG 108 HE ARG 108 13.167 4.618 -7.407 794 HH11 ARG 108 HH11 ARG 108 13.039 3.684 -10.737 795 HH12 ARG 108 HH12 ARG 108 13.129 5.316 -11.286 796 HH21 ARG 108 HH21 ARG 108 13.256 6.672 -8.156 797 HH22 ARG 108 HH22 ARG 108 13.237 6.973 -9.860 798 H TYR 109 H TYR 109 9.460 2.056 -3.952 799 HA TYR 109 HA TYR 109 9.222 4.744 -2.702 800 HB2 TYR 109 HB2 TYR 109 7.058 3.095 -4.085 801 HB3 TYR 109 HB3 TYR 109 6.905 4.752 -3.515 802 HD1 TYR 109 HD1 TYR 109 8.370 2.589 -6.153 803 HD2 TYR 109 HD2 TYR 109 7.829 6.618 -4.826 804 HE1 TYR 109 HE1 TYR 109 9.096 3.413 -8.358 805 HE2 TYR 109 HE2 TYR 109 8.569 7.439 -7.018 806 HH TYR 109 HH TYR 109 9.947 6.653 -8.911 807 H VAL 110 H VAL 110 8.681 1.328 -2.265 808 HA VAL 110 HA VAL 110 7.689 1.770 0.494 809 HB VAL 110 HB VAL 110 5.903 0.915 -1.213 810 HG11 VAL 110 HG11 VAL 110 5.848 -1.497 -1.705 811 HG12 VAL 110 HG12 VAL 110 7.410 -1.711 -0.912 812 HG13 VAL 110 HG13 VAL 110 7.298 -0.754 -2.392 813 HG21 VAL 110 HG21 VAL 110 6.389 -0.665 1.333 814 HG22 VAL 110 HG22 VAL 110 4.871 -0.629 0.437 815 HG23 VAL 110 HG23 VAL 110 5.484 0.844 1.186 816 H SER 111 H SER 111 8.032 -0.552 1.762 817 HA SER 111 HA SER 111 10.655 -1.698 0.945 818 HB2 SER 111 HB2 SER 111 11.077 -2.275 3.212 819 HB3 SER 111 HB3 SER 111 10.376 -0.660 3.302 820 HG SER 111 HG SER 111 8.767 -1.450 4.392 821 H LEU 112 H LEU 112 10.942 -4.020 1.288 822 HA LEU 112 HA LEU 112 8.866 -5.706 0.339 823 HB2 LEU 112 HB2 LEU 112 11.128 -6.330 -0.090 824 HB3 LEU 112 HB3 LEU 112 11.558 -6.223 1.595 825 HG LEU 112 HG LEU 112 9.575 -8.366 0.823 826 HD11 LEU 112 HD11 LEU 112 11.272 -8.592 -0.935 827 HD12 LEU 112 HD12 LEU 112 11.315 -9.955 0.183 828 HD13 LEU 112 HD13 LEU 112 12.544 -8.688 0.288 829 HD21 LEU 112 HD21 LEU 112 10.170 -8.124 3.199 830 HD22 LEU 112 HD22 LEU 112 11.881 -8.350 2.816 831 HD23 LEU 112 HD23 LEU 112 10.738 -9.675 2.578 832 H ALA 113 H ALA 113 10.047 -4.967 3.598 833 HA ALA 113 HA ALA 113 8.745 -7.008 5.046 834 HB1 ALA 113 HB1 ALA 113 9.183 -5.640 7.039 835 HB2 ALA 113 HB2 ALA 113 9.549 -4.244 6.019 836 HB3 ALA 113 HB3 ALA 113 10.588 -5.670 5.969 837 H ASP 114 H ASP 114 7.604 -3.764 4.100 838 HA ASP 114 HA ASP 114 5.095 -3.701 5.329 839 HB2 ASP 114 HB2 ASP 114 6.173 -2.588 2.726 840 HB3 ASP 114 HB3 ASP 114 4.458 -2.427 3.079 841 H LEU 115 H LEU 115 6.059 -5.198 2.234 842 HA LEU 115 HA LEU 115 3.425 -5.826 1.355 843 HB2 LEU 115 HB2 LEU 115 5.976 -7.234 0.470 844 HB3 LEU 115 HB3 LEU 115 4.474 -7.070 -0.430 845 HG LEU 115 HG LEU 115 6.554 -4.917 0.115 846 HD11 LEU 115 HD11 LEU 115 5.567 -6.129 -2.476 847 HD12 LEU 115 HD12 LEU 115 7.123 -6.445 -1.694 848 HD13 LEU 115 HD13 LEU 115 6.766 -4.837 -2.321 849 HD21 LEU 115 HD21 LEU 115 5.174 -3.357 -1.157 850 HD22 LEU 115 HD22 LEU 115 4.362 -3.879 0.313 851 HD23 LEU 115 HD23 LEU 115 3.873 -4.549 -1.248 852 H GLN 116 H GLN 116 6.030 -7.718 2.844 853 HA GLN 116 HA GLN 116 4.674 -10.237 2.815 854 HB2 GLN 116 HB2 GLN 116 7.143 -9.376 4.376 855 HB3 GLN 116 HB3 GLN 116 6.614 -11.034 4.119 856 HG2 GLN 116 HG2 GLN 116 6.780 -10.086 1.522 857 HG3 GLN 116 HG3 GLN 116 8.085 -9.213 2.311 858 HE21 GLN 116 HE21 GLN 116 8.180 -11.354 0.293 859 HE22 GLN 116 HE22 GLN 116 9.180 -12.585 0.975 860 H ALA 117 H ALA 117 4.910 -7.626 5.146 861 HA ALA 117 HA ALA 117 3.875 -8.887 7.447 862 HB1 ALA 117 HB1 ALA 117 4.827 -6.621 7.490 863 HB2 ALA 117 HB2 ALA 117 3.206 -6.631 8.187 864 HB3 ALA 117 HB3 ALA 117 3.462 -6.017 6.550 865 H HIS 118 H HIS 118 2.194 -7.633 4.578 866 HA HIS 118 HA HIS 118 -0.410 -8.609 5.633 867 HB2 HIS 118 HB2 HIS 118 0.134 -5.992 4.174 868 HB3 HIS 118 HB3 HIS 118 -1.490 -6.645 4.401 869 HD1 HIS 118 HD1 HIS 118 -2.506 -6.492 6.750 870 HD2 HIS 118 HD2 HIS 118 1.366 -5.013 6.540 871 HE1 HIS 118 HE1 HIS 118 -2.084 -5.420 8.968 872 HE2 HIS 118 HE2 HIS 118 0.319 -4.688 8.883 873 H ALA 119 H ALA 119 1.614 -9.799 3.787 874 HA ALA 119 HA ALA 119 -0.308 -11.133 2.129 875 HB1 ALA 119 HB1 ALA 119 0.723 -10.679 -0.062 876 HB2 ALA 119 HB2 ALA 119 1.874 -9.573 0.694 877 HB3 ALA 119 HB3 ALA 119 0.157 -9.177 0.675 878 H LEU 120 H LEU 120 0.906 -12.842 0.710 879 HA LEU 120 HA LEU 120 3.263 -13.886 2.175 880 HB2 LEU 120 HB2 LEU 120 2.410 -16.175 1.623 881 HB3 LEU 120 HB3 LEU 120 1.371 -15.257 2.687 882 HG LEU 120 HG LEU 120 0.055 -14.705 0.426 883 HD11 LEU 120 HD11 LEU 120 0.009 -16.538 -1.182 884 HD12 LEU 120 HD12 LEU 120 1.312 -17.362 -0.324 885 HD13 LEU 120 HD13 LEU 120 1.617 -15.813 -1.113 886 HD21 LEU 120 HD21 LEU 120 -0.931 -15.828 2.357 887 HD22 LEU 120 HD22 LEU 120 -0.222 -17.365 1.855 888 HD23 LEU 120 HD23 LEU 120 -1.455 -16.592 0.856 889 HA PRO 121 HA PRO 121 5.427 -13.728 -1.776 890 HB2 PRO 121 HB2 PRO 121 7.413 -15.589 -1.323 891 HB3 PRO 121 HB3 PRO 121 7.421 -13.965 -0.618 892 HG2 PRO 121 HG2 PRO 121 6.523 -16.565 0.632 893 HG3 PRO 121 HG3 PRO 121 7.543 -15.289 1.335 894 HD2 PRO 121 HD2 PRO 121 4.903 -15.483 1.927 895 HD3 PRO 121 HD3 PRO 121 5.709 -13.902 1.795 896 H VAL 122 H VAL 122 4.977 -14.656 -3.720 897 HA VAL 122 HA VAL 122 3.355 -17.085 -3.749 898 HB VAL 122 HB VAL 122 2.531 -15.048 -4.822 899 HG11 VAL 122 HG11 VAL 122 4.797 -15.291 -6.824 900 HG12 VAL 122 HG12 VAL 122 4.611 -14.028 -5.608 901 HG13 VAL 122 HG13 VAL 122 3.452 -14.151 -6.934 902 HG21 VAL 122 HG21 VAL 122 2.960 -17.277 -6.840 903 HG22 VAL 122 HG22 VAL 122 1.714 -16.030 -6.943 904 HG23 VAL 122 HG23 VAL 122 1.679 -17.206 -5.627 905 H LEU 123 H LEU 123 5.760 -17.904 -3.123 906 HA LEU 123 HA LEU 123 7.156 -19.021 -5.437 907 HB2 LEU 123 HB2 LEU 123 7.654 -19.020 -2.455 908 HB3 LEU 123 HB3 LEU 123 8.486 -20.156 -3.490 909 HG LEU 123 HG LEU 123 9.492 -18.271 -4.771 910 HD11 LEU 123 HD11 LEU 123 7.798 -16.540 -4.438 911 HD12 LEU 123 HD12 LEU 123 9.387 -15.960 -3.947 912 HD13 LEU 123 HD13 LEU 123 8.206 -16.437 -2.723 913 HD21 LEU 123 HD21 LEU 123 10.720 -19.307 -2.920 914 HD22 LEU 123 HD22 LEU 123 10.034 -18.134 -1.791 915 HD23 LEU 123 HD23 LEU 123 11.116 -17.597 -3.079 916 H GLU 124 H GLU 124 5.420 -20.261 -6.265 917 HA GLU 124 HA GLU 124 4.515 -22.601 -4.676 918 HB2 GLU 124 HB2 GLU 124 2.474 -22.450 -6.336 919 HB3 GLU 124 HB3 GLU 124 2.560 -21.348 -4.974 920 HG2 GLU 124 HG2 GLU 124 1.807 -20.167 -6.978 921 HG3 GLU 124 HG3 GLU 124 3.359 -19.541 -6.438 922 H HIS 125 H HIS 125 6.934 -22.663 -6.197 923 HA HIS 125 HA HIS 125 6.303 -24.708 -8.236 924 HB2 HIS 125 HB2 HIS 125 8.193 -23.745 -9.677 925 HB3 HIS 125 HB3 HIS 125 6.712 -22.800 -9.606 926 HD1 HIS 125 HD1 HIS 125 10.273 -22.766 -8.373 927 HD2 HIS 125 HD2 HIS 125 6.986 -20.235 -8.562 928 HE1 HIS 125 HE1 HIS 125 11.138 -20.501 -7.769 929 HE2 HIS 125 HE2 HIS 125 9.199 -18.960 -8.141 930 H HIS 126 H HIS 126 6.866 -26.355 -6.868 931 HA HIS 126 HA HIS 126 9.522 -26.490 -5.611 932 HB2 HIS 126 HB2 HIS 126 7.299 -27.098 -4.437 933 HB3 HIS 126 HB3 HIS 126 7.254 -28.529 -5.458 934 HD1 HIS 126 HD1 HIS 126 8.166 -30.549 -4.319 935 HD2 HIS 126 HD2 HIS 126 9.899 -27.055 -2.856 936 HE1 HIS 126 HE1 HIS 126 9.745 -31.282 -2.507 937 HE2 HIS 126 HE2 HIS 126 10.837 -29.172 -1.697 938 H HIS 127 H HIS 127 10.290 -29.105 -5.720 939 HA HIS 127 HA HIS 127 11.387 -30.687 -6.871 940 HB2 HIS 127 HB2 HIS 127 9.186 -30.206 -8.902 941 HB3 HIS 127 HB3 HIS 127 10.461 -31.380 -9.195 942 HD1 HIS 127 HD1 HIS 127 7.151 -31.420 -8.174 943 HD2 HIS 127 HD2 HIS 127 10.589 -33.132 -6.600 944 HE1 HIS 127 HE1 HIS 127 6.361 -33.350 -6.789 945 HE2 HIS 127 HE2 HIS 127 8.443 -34.282 -5.742 946 H HIS 128 H HIS 128 12.478 -28.159 -6.867 947 HA HIS 128 HA HIS 128 14.205 -28.339 -9.257 948 HB2 HIS 128 HB2 HIS 128 12.903 -25.844 -8.147 949 HB3 HIS 128 HB3 HIS 128 14.502 -25.710 -8.872 950 HD1 HIS 128 HD1 HIS 128 14.677 -25.846 -11.379 951 HD2 HIS 128 HD2 HIS 128 10.814 -26.525 -10.002 952 HE1 HIS 128 HE1 HIS 128 13.227 -25.818 -13.420 953 HE2 HIS 128 HE2 HIS 128 10.941 -26.427 -12.589 954 H HIS 129 H HIS 129 15.774 -29.496 -8.175 955 HA HIS 129 HA HIS 129 17.096 -28.476 -5.807 956 HB2 HIS 129 HB2 HIS 129 18.838 -30.270 -6.352 957 HB3 HIS 129 HB3 HIS 129 17.209 -30.856 -6.056 958 HD1 HIS 129 HD1 HIS 129 15.956 -31.951 -8.036 959 HD2 HIS 129 HD2 HIS 129 19.807 -30.716 -8.988 960 HE1 HIS 129 HE1 HIS 129 16.484 -33.028 -10.236 961 HE2 HIS 129 HE2 HIS 129 18.732 -32.119 -10.874 962 H HIS 130 H HIS 130 17.746 -26.416 -6.188 963 HA HIS 130 HA HIS 130 18.808 -24.583 -6.968 964 HB2 HIS 130 HB2 HIS 130 20.791 -26.544 -8.215 965 HB3 HIS 130 HB3 HIS 130 21.062 -24.813 -8.020 966 HD1 HIS 130 HD1 HIS 130 21.204 -28.032 -6.205 967 HD2 HIS 130 HD2 HIS 130 21.468 -23.988 -5.291 968 HE1 HIS 130 HE1 HIS 130 22.170 -27.932 -3.894 969 HE2 HIS 130 HE2 HIS 130 22.343 -25.481 -3.370 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -2.524 7.693 -25.325 2 H2 MET 1 H2 MET 1 -3.002 7.136 -26.848 3 H3 MET 1 H3 MET 1 -2.729 6.037 -25.593 4 HA MET 1 HA MET 1 -4.567 6.846 -24.356 5 HB2 MET 1 HB2 MET 1 -4.702 8.933 -26.553 6 HB3 MET 1 HB3 MET 1 -6.114 8.577 -25.562 7 HG2 MET 1 HG2 MET 1 -4.809 10.540 -24.766 8 HG3 MET 1 HG3 MET 1 -4.969 9.264 -23.555 9 HE1 MET 1 HE1 MET 1 -2.908 11.409 -22.921 10 HE2 MET 1 HE2 MET 1 -1.425 10.518 -22.605 11 HE3 MET 1 HE3 MET 1 -2.967 9.917 -21.982 12 H GLY 2 H GLY 2 -5.270 7.150 -27.881 13 HA2 GLY 2 HA2 GLY 2 -7.273 5.103 -27.888 14 HA3 GLY 2 HA3 GLY 2 -6.541 5.857 -29.295 15 H GLN 3 H GLN 3 -6.943 2.956 -27.830 16 HA GLN 3 HA GLN 3 -4.265 1.844 -28.357 17 HB2 GLN 3 HB2 GLN 3 -5.137 -0.171 -27.117 18 HB3 GLN 3 HB3 GLN 3 -5.119 1.313 -26.172 19 HG2 GLN 3 HG2 GLN 3 -7.555 1.581 -26.558 20 HG3 GLN 3 HG3 GLN 3 -7.566 0.072 -27.469 21 HE21 GLN 3 HE21 GLN 3 -9.061 -0.841 -26.032 22 HE22 GLN 3 HE22 GLN 3 -8.626 -1.342 -24.440 23 H GLY 4 H GLY 4 -3.823 0.615 -30.070 24 HA2 GLY 4 HA2 GLY 4 -5.998 -0.679 -31.651 25 HA3 GLY 4 HA3 GLY 4 -4.509 -0.050 -32.345 26 H GLN 5 H GLN 5 -4.464 -2.311 -33.239 27 HA GLN 5 HA GLN 5 -2.616 -3.918 -31.714 28 HB2 GLN 5 HB2 GLN 5 -3.980 -6.027 -31.771 29 HB3 GLN 5 HB3 GLN 5 -4.646 -4.792 -30.708 30 HG2 GLN 5 HG2 GLN 5 -6.289 -4.189 -32.491 31 HG3 GLN 5 HG3 GLN 5 -5.663 -5.505 -33.481 32 HE21 GLN 5 HE21 GLN 5 -6.079 -7.664 -32.815 33 HE22 GLN 5 HE22 GLN 5 -7.346 -8.033 -31.703 34 H ASN 6 H ASN 6 -1.274 -5.103 -33.020 35 HA ASN 6 HA ASN 6 -1.554 -4.949 -35.910 36 HB2 ASN 6 HB2 ASN 6 0.578 -6.202 -34.122 37 HB3 ASN 6 HB3 ASN 6 0.650 -6.243 -35.883 38 HD21 ASN 6 HD21 ASN 6 0.887 -4.155 -33.061 39 HD22 ASN 6 HD22 ASN 6 1.573 -2.814 -33.897 40 H VAL 7 H VAL 7 -1.701 -6.734 -37.336 41 HA VAL 7 HA VAL 7 -3.585 -8.745 -36.622 42 HB VAL 7 HB VAL 7 -3.569 -9.449 -38.889 43 HG11 VAL 7 HG11 VAL 7 -4.313 -7.114 -38.679 44 HG12 VAL 7 HG12 VAL 7 -3.550 -7.394 -40.244 45 HG13 VAL 7 HG13 VAL 7 -2.660 -6.558 -38.967 46 HG21 VAL 7 HG21 VAL 7 -1.186 -10.044 -39.164 47 HG22 VAL 7 HG22 VAL 7 -0.744 -8.339 -39.239 48 HG23 VAL 7 HG23 VAL 7 -1.723 -9.051 -40.524 49 H LEU 8 H LEU 8 -0.254 -8.655 -36.253 50 HA LEU 8 HA LEU 8 0.535 -11.250 -37.086 51 HB2 LEU 8 HB2 LEU 8 2.007 -9.174 -35.445 52 HB3 LEU 8 HB3 LEU 8 2.710 -10.559 -36.247 53 HG LEU 8 HG LEU 8 1.386 -8.236 -37.673 54 HD11 LEU 8 HD11 LEU 8 4.318 -8.934 -37.419 55 HD12 LEU 8 HD12 LEU 8 3.492 -7.574 -36.656 56 HD13 LEU 8 HD13 LEU 8 3.643 -7.635 -38.410 57 HD21 LEU 8 HD21 LEU 8 2.271 -9.247 -39.752 58 HD22 LEU 8 HD22 LEU 8 1.117 -10.310 -38.952 59 HD23 LEU 8 HD23 LEU 8 2.847 -10.642 -38.833 60 H GLY 9 H GLY 9 0.198 -9.722 -33.838 61 HA2 GLY 9 HA2 GLY 9 -0.729 -11.986 -32.474 62 HA3 GLY 9 HA3 GLY 9 1.024 -11.999 -32.324 63 H GLN 10 H GLN 10 2.044 -10.485 -31.008 64 HA GLN 10 HA GLN 10 0.332 -8.722 -29.363 65 HB2 GLN 10 HB2 GLN 10 1.323 -9.464 -27.295 66 HB3 GLN 10 HB3 GLN 10 0.746 -10.882 -28.150 67 HG2 GLN 10 HG2 GLN 10 3.654 -10.001 -28.015 68 HG3 GLN 10 HG3 GLN 10 2.920 -11.241 -27.005 69 HE21 GLN 10 HE21 GLN 10 4.128 -10.488 -30.192 70 HE22 GLN 10 HE22 GLN 10 4.109 -12.107 -30.796 71 H ASP 11 H ASP 11 1.221 -6.852 -28.642 72 HA ASP 11 HA ASP 11 4.010 -6.190 -28.641 73 HB2 ASP 11 HB2 ASP 11 3.420 -6.038 -31.126 74 HB3 ASP 11 HB3 ASP 11 2.283 -4.754 -30.731 75 H LEU 12 H LEU 12 2.413 -6.186 -26.555 76 HA LEU 12 HA LEU 12 0.884 -3.689 -26.257 77 HB2 LEU 12 HB2 LEU 12 -0.136 -4.661 -24.285 78 HB3 LEU 12 HB3 LEU 12 -0.248 -5.785 -25.624 79 HG LEU 12 HG LEU 12 1.894 -6.090 -23.476 80 HD11 LEU 12 HD11 LEU 12 -0.261 -6.053 -22.322 81 HD12 LEU 12 HD12 LEU 12 0.453 -7.662 -22.285 82 HD13 LEU 12 HD13 LEU 12 -0.879 -7.315 -23.393 83 HD21 LEU 12 HD21 LEU 12 2.253 -7.403 -25.534 84 HD22 LEU 12 HD22 LEU 12 0.659 -8.142 -25.357 85 HD23 LEU 12 HD23 LEU 12 1.917 -8.453 -24.157 86 H GLU 13 H GLU 13 3.835 -3.555 -26.224 87 HA GLU 13 HA GLU 13 4.608 -2.837 -23.517 88 HB2 GLU 13 HB2 GLU 13 6.056 -2.285 -26.144 89 HB3 GLU 13 HB3 GLU 13 6.729 -2.083 -24.529 90 HG2 GLU 13 HG2 GLU 13 6.473 -4.533 -24.147 91 HG3 GLU 13 HG3 GLU 13 5.893 -4.710 -25.802 92 H VAL 14 H VAL 14 2.657 -1.434 -23.335 93 HA VAL 14 HA VAL 14 3.300 1.349 -23.645 94 HB VAL 14 HB VAL 14 2.344 0.988 -25.862 95 HG11 VAL 14 HG11 VAL 14 1.009 -1.035 -25.466 96 HG12 VAL 14 HG12 VAL 14 0.034 0.206 -26.257 97 HG13 VAL 14 HG13 VAL 14 -0.165 -0.102 -24.530 98 HG21 VAL 14 HG21 VAL 14 0.373 2.500 -24.101 99 HG22 VAL 14 HG22 VAL 14 0.528 2.673 -25.851 100 HG23 VAL 14 HG23 VAL 14 1.859 3.152 -24.798 101 H CYS 15 H CYS 15 2.794 2.189 -21.732 102 HA CYS 15 HA CYS 15 1.045 1.080 -19.811 103 HB2 CYS 15 HB2 CYS 15 2.156 3.914 -19.940 104 HB3 CYS 15 HB3 CYS 15 1.456 3.144 -18.513 105 HG CYS 15 HG CYS 15 3.554 1.813 -17.759 106 H CYS 16 H CYS 16 0.745 4.175 -21.594 107 HA CYS 16 HA CYS 16 -0.984 5.387 -22.417 108 HB2 CYS 16 HB2 CYS 16 -1.383 3.249 -23.673 109 HB3 CYS 16 HB3 CYS 16 -2.525 2.768 -22.426 110 HG CYS 16 HG CYS 16 -4.353 3.531 -24.133 111 H CYS 17 H CYS 17 -3.616 5.704 -22.055 112 HA CYS 17 HA CYS 17 -5.441 6.082 -20.816 113 HB2 CYS 17 HB2 CYS 17 -5.282 3.784 -19.991 114 HB3 CYS 17 HB3 CYS 17 -4.189 4.295 -18.710 115 HG CYS 17 HG CYS 17 -7.458 4.163 -18.700 116 H ALA 18 H ALA 18 -2.877 6.080 -18.288 117 HA ALA 18 HA ALA 18 -3.877 8.155 -16.732 118 HB1 ALA 18 HB1 ALA 18 -1.647 8.227 -15.684 119 HB2 ALA 18 HB2 ALA 18 -0.976 7.305 -17.033 120 HB3 ALA 18 HB3 ALA 18 -2.164 6.562 -15.960 121 HA PRO 19 HA PRO 19 -3.142 11.913 -19.117 122 HB2 PRO 19 HB2 PRO 19 -2.840 13.310 -16.473 123 HB3 PRO 19 HB3 PRO 19 -3.969 13.637 -17.796 124 HG2 PRO 19 HG2 PRO 19 -4.835 12.464 -15.560 125 HG3 PRO 19 HG3 PRO 19 -5.435 11.914 -17.140 126 HD2 PRO 19 HD2 PRO 19 -3.301 10.670 -15.386 127 HD3 PRO 19 HD3 PRO 19 -4.650 9.883 -16.242 128 H MET 20 H MET 20 -0.909 11.252 -16.411 129 HA MET 20 HA MET 20 1.156 13.054 -17.283 130 HB2 MET 20 HB2 MET 20 0.825 12.307 -14.881 131 HB3 MET 20 HB3 MET 20 1.457 10.730 -15.332 132 HG2 MET 20 HG2 MET 20 3.597 11.824 -16.004 133 HG3 MET 20 HG3 MET 20 2.951 13.366 -15.442 134 HE1 MET 20 HE1 MET 20 5.096 13.702 -13.867 135 HE2 MET 20 HE2 MET 20 5.743 12.172 -14.461 136 HE3 MET 20 HE3 MET 20 5.656 12.479 -12.727 137 H THR 21 H THR 21 0.224 9.936 -18.364 138 HA THR 21 HA THR 21 2.670 8.873 -19.316 139 HB THR 21 HB THR 21 -0.081 8.516 -20.607 140 HG1 THR 21 HG1 THR 21 -0.557 7.167 -19.023 141 HG21 THR 21 HG21 THR 21 0.781 6.304 -21.306 142 HG22 THR 21 HG22 THR 21 2.350 6.680 -20.596 143 HG23 THR 21 HG23 THR 21 1.767 7.600 -21.985 144 H GLY 22 H GLY 22 0.723 11.538 -20.466 145 HA2 GLY 22 HA2 GLY 22 1.523 13.268 -21.838 146 HA3 GLY 22 HA3 GLY 22 2.756 12.200 -22.485 147 H TRP 23 H TRP 23 2.134 10.627 -24.099 148 HA TRP 23 HA TRP 23 -0.442 10.428 -25.263 149 HB2 TRP 23 HB2 TRP 23 -0.090 12.702 -26.091 150 HB3 TRP 23 HB3 TRP 23 1.505 12.285 -26.703 151 HD1 TRP 23 HD1 TRP 23 -2.143 11.033 -27.380 152 HE1 TRP 23 HE1 TRP 23 -2.380 10.670 -29.908 153 HE3 TRP 23 HE3 TRP 23 2.597 12.301 -28.841 154 HZ2 TRP 23 HZ2 TRP 23 -0.789 10.883 -32.226 155 HZ3 TRP 23 HZ3 TRP 23 3.161 12.196 -31.239 156 HH2 TRP 23 HH2 TRP 23 1.499 11.500 -32.900 157 H TYR 24 H TYR 24 2.841 10.579 -26.710 158 HA TYR 24 HA TYR 24 3.123 7.721 -27.009 159 HB2 TYR 24 HB2 TYR 24 1.486 8.319 -28.855 160 HB3 TYR 24 HB3 TYR 24 2.707 9.371 -29.550 161 HD1 TYR 24 HD2 TYR 24 1.786 5.837 -28.894 162 HD2 TYR 24 HD1 TYR 24 4.550 8.426 -30.889 163 HE1 TYR 24 HE2 TYR 24 2.617 3.940 -30.213 164 HE2 TYR 24 HE1 TYR 24 5.377 6.524 -32.212 165 HH TYR 24 HH TYR 24 5.452 3.951 -31.915 166 H ARG 25 H ARG 25 5.169 7.854 -26.173 167 HA ARG 25 HA ARG 25 7.070 9.903 -27.050 168 HB2 ARG 25 HB2 ARG 25 6.729 9.380 -24.618 169 HB3 ARG 25 HB3 ARG 25 7.341 7.757 -24.896 170 HG2 ARG 25 HG2 ARG 25 9.070 9.133 -23.883 171 HG3 ARG 25 HG3 ARG 25 9.548 8.714 -25.531 172 HD2 ARG 25 HD2 ARG 25 8.917 10.930 -26.329 173 HD3 ARG 25 HD3 ARG 25 8.272 11.361 -24.744 174 HE ARG 25 HE ARG 25 10.606 11.145 -23.907 175 HH11 ARG 25 HH11 ARG 25 10.126 11.847 -27.251 176 HH12 ARG 25 HH12 ARG 25 11.648 12.643 -27.401 177 HH21 ARG 25 HH21 ARG 25 12.527 12.176 -24.122 178 HH22 ARG 25 HH22 ARG 25 12.989 12.834 -25.650 179 H ASN 26 H ASN 26 7.469 6.394 -26.383 180 HA ASN 26 HA ASN 26 8.384 5.727 -29.034 181 HB2 ASN 26 HB2 ASN 26 10.398 6.926 -27.934 182 HB3 ASN 26 HB3 ASN 26 10.487 5.581 -26.809 183 HD21 ASN 26 HD21 ASN 26 11.237 3.554 -27.593 184 HD22 ASN 26 HD22 ASN 26 12.038 3.409 -29.116 185 H GLY 27 H GLY 27 6.271 4.735 -27.626 186 HA2 GLY 27 HA2 GLY 27 5.250 2.789 -26.912 187 HA3 GLY 27 HA3 GLY 27 6.743 1.935 -27.269 188 H PHE 28 H PHE 28 4.733 3.130 -24.785 189 HA PHE 28 HA PHE 28 6.725 3.605 -22.746 190 HB2 PHE 28 HB2 PHE 28 3.722 3.245 -22.363 191 HB3 PHE 28 HB3 PHE 28 4.842 4.023 -21.253 192 HD1 PHE 28 HD1 PHE 28 5.802 6.275 -21.828 193 HD2 PHE 28 HD2 PHE 28 2.772 4.446 -24.229 194 HE1 PHE 28 HE1 PHE 28 5.289 8.447 -22.853 195 HE2 PHE 28 HE2 PHE 28 2.263 6.625 -25.242 196 HZ PHE 28 HZ PHE 28 3.519 8.626 -24.551 197 H CYS 29 H CYS 29 7.841 1.504 -22.798 198 HA CYS 29 HA CYS 29 6.605 -0.970 -22.212 199 HB2 CYS 29 HB2 CYS 29 9.491 -0.150 -21.668 200 HB3 CYS 29 HB3 CYS 29 8.872 -1.799 -21.766 201 HG CYS 29 HG CYS 29 9.951 0.152 -24.168 202 H GLN 30 H GLN 30 8.904 0.686 -19.998 203 HA GLN 30 HA GLN 30 8.869 1.375 -17.873 204 HB2 GLN 30 HB2 GLN 30 6.658 2.360 -18.402 205 HB3 GLN 30 HB3 GLN 30 5.876 0.867 -17.905 206 HG2 GLN 30 HG2 GLN 30 6.688 1.206 -15.593 207 HG3 GLN 30 HG3 GLN 30 7.467 2.709 -16.090 208 HE21 GLN 30 HE21 GLN 30 6.160 4.506 -16.565 209 HE22 GLN 30 HE22 GLN 30 4.508 4.591 -16.083 210 H THR 31 H THR 31 7.107 -1.679 -18.340 211 HA THR 31 HA THR 31 7.135 -2.648 -15.718 212 HB THR 31 HB THR 31 5.591 -3.629 -17.259 213 HG1 THR 31 HG1 THR 31 5.824 -5.390 -16.130 214 HG21 THR 31 HG21 THR 31 6.242 -5.054 -19.165 215 HG22 THR 31 HG22 THR 31 7.945 -4.688 -18.882 216 HG23 THR 31 HG23 THR 31 6.836 -3.408 -19.387 217 H ASP 32 H ASP 32 8.949 -2.748 -14.585 218 HA ASP 32 HA ASP 32 11.535 -3.428 -15.448 219 HB2 ASP 32 HB2 ASP 32 10.254 -3.493 -12.688 220 HB3 ASP 32 HB3 ASP 32 11.980 -3.720 -12.965 221 H VAL 33 H VAL 33 8.865 -5.404 -14.443 222 HA VAL 33 HA VAL 33 8.425 -7.576 -14.153 223 HB VAL 33 HB VAL 33 10.987 -8.091 -15.717 224 HG11 VAL 33 HG11 VAL 33 10.313 -10.118 -14.510 225 HG12 VAL 33 HG12 VAL 33 10.051 -10.326 -16.241 226 HG13 VAL 33 HG13 VAL 33 8.680 -10.002 -15.176 227 HG21 VAL 33 HG21 VAL 33 9.529 -8.341 -17.710 228 HG22 VAL 33 HG22 VAL 33 9.410 -6.721 -17.021 229 HG23 VAL 33 HG23 VAL 33 8.121 -7.895 -16.740 230 H GLN 34 H GLN 34 12.029 -7.639 -13.858 231 HA GLN 34 HA GLN 34 11.845 -8.088 -10.966 232 HB2 GLN 34 HB2 GLN 34 13.244 -10.124 -11.054 233 HB3 GLN 34 HB3 GLN 34 11.721 -10.345 -11.910 234 HG2 GLN 34 HG2 GLN 34 12.922 -9.959 -14.075 235 HG3 GLN 34 HG3 GLN 34 14.438 -9.849 -13.176 236 HE21 GLN 34 HE21 GLN 34 11.916 -11.985 -14.281 237 HE22 GLN 34 HE22 GLN 34 12.730 -13.464 -13.926 238 H ASP 35 H ASP 35 13.324 -6.423 -13.442 239 HA ASP 35 HA ASP 35 16.000 -6.336 -12.146 240 HB2 ASP 35 HB2 ASP 35 15.218 -5.673 -15.009 241 HB3 ASP 35 HB3 ASP 35 16.843 -5.511 -14.340 242 H ARG 36 H ARG 36 17.159 -4.334 -12.180 243 HA ARG 36 HA ARG 36 17.515 -2.213 -11.531 244 HB2 ARG 36 HB2 ARG 36 15.372 -1.652 -13.603 245 HB3 ARG 36 HB3 ARG 36 16.353 -0.395 -12.853 246 HG2 ARG 36 HG2 ARG 36 18.398 -1.461 -13.822 247 HG3 ARG 36 HG3 ARG 36 17.364 -2.647 -14.631 248 HD2 ARG 36 HD2 ARG 36 16.250 -0.858 -15.882 249 HD3 ARG 36 HD3 ARG 36 17.203 0.362 -15.032 250 HE ARG 36 HE ARG 36 18.978 -1.384 -16.297 251 HH11 ARG 36 HH11 ARG 36 16.588 0.955 -17.231 252 HH12 ARG 36 HH12 ARG 36 17.423 1.371 -18.685 253 HH21 ARG 36 HH21 ARG 36 20.011 -0.837 -18.145 254 HH22 ARG 36 HH22 ARG 36 19.348 0.366 -19.192 255 H GLY 37 H GLY 37 14.020 -1.674 -12.071 256 HA2 GLY 37 HA2 GLY 37 12.444 -1.170 -10.305 257 HA3 GLY 37 HA3 GLY 37 13.781 -0.629 -9.295 258 H SER 38 H SER 38 11.538 0.234 -11.807 259 HA SER 38 HA SER 38 12.802 2.897 -12.220 260 HB2 SER 38 HB2 SER 38 12.991 1.489 -14.235 261 HB3 SER 38 HB3 SER 38 11.246 1.234 -14.246 262 HG SER 38 HG SER 38 11.371 2.898 -15.554 263 H HIS 39 H HIS 39 9.567 1.287 -12.644 264 HA HIS 39 HA HIS 39 8.167 3.201 -11.047 265 HB2 HIS 39 HB2 HIS 39 8.818 4.614 -13.104 266 HB3 HIS 39 HB3 HIS 39 7.735 3.605 -14.049 267 HD1 HIS 39 HD1 HIS 39 7.809 6.473 -11.724 268 HD2 HIS 39 HD2 HIS 39 4.934 4.038 -13.468 269 HE1 HIS 39 HE1 HIS 39 5.628 7.665 -11.390 270 HE2 HIS 39 HE2 HIS 39 3.947 6.275 -12.638 271 H THR 40 H THR 40 7.833 0.617 -10.702 272 HA THR 40 HA THR 40 5.097 0.094 -11.700 273 HB THR 40 HB THR 40 5.646 -2.394 -11.961 274 HG1 THR 40 HG1 THR 40 8.329 -1.568 -12.352 275 HG21 THR 40 HG21 THR 40 6.502 -2.193 -14.249 276 HG22 THR 40 HG22 THR 40 6.954 -0.514 -13.945 277 HG23 THR 40 HG23 THR 40 5.252 -0.988 -13.932 278 H VAL 41 H VAL 41 4.024 0.336 -9.856 279 HA VAL 41 HA VAL 41 4.473 -1.550 -7.615 280 HB VAL 41 HB VAL 41 3.633 1.371 -7.188 281 HG11 VAL 41 HG11 VAL 41 2.775 -0.178 -5.475 282 HG12 VAL 41 HG12 VAL 41 3.989 0.897 -4.777 283 HG13 VAL 41 HG13 VAL 41 4.409 -0.773 -5.164 284 HG21 VAL 41 HG21 VAL 41 6.395 0.198 -6.687 285 HG22 VAL 41 HG22 VAL 41 5.866 1.807 -6.192 286 HG23 VAL 41 HG23 VAL 41 5.977 1.402 -7.906 287 H CYS 42 H CYS 42 2.635 -2.855 -7.927 288 HA CYS 42 HA CYS 42 -0.016 -1.500 -8.132 289 HB2 CYS 42 HB2 CYS 42 0.772 -4.298 -9.029 290 HB3 CYS 42 HB3 CYS 42 -0.885 -3.691 -9.018 291 HG CYS 42 HG CYS 42 1.704 -2.515 -10.904 292 H ALA 43 H ALA 43 -0.950 -1.329 -6.248 293 HA ALA 43 HA ALA 43 -1.191 -3.588 -4.370 294 HB1 ALA 43 HB1 ALA 43 -0.410 -0.742 -3.595 295 HB2 ALA 43 HB2 ALA 43 0.648 -2.154 -3.514 296 HB3 ALA 43 HB3 ALA 43 -0.763 -2.049 -2.459 297 H GLU 44 H GLU 44 -3.209 -3.455 -3.135 298 HA GLU 44 HA GLU 44 -5.110 -1.432 -4.177 299 HB2 GLU 44 HB2 GLU 44 -5.393 -3.857 -5.018 300 HB3 GLU 44 HB3 GLU 44 -5.983 -4.232 -3.401 301 HG2 GLU 44 HG2 GLU 44 -7.759 -2.581 -3.637 302 HG3 GLU 44 HG3 GLU 44 -7.118 -2.090 -5.211 303 H MET 45 H MET 45 -5.675 -0.095 -2.689 304 HA MET 45 HA MET 45 -5.638 -0.705 0.167 305 HB2 MET 45 HB2 MET 45 -6.335 1.922 -1.257 306 HB3 MET 45 HB3 MET 45 -5.938 1.696 0.445 307 HG2 MET 45 HG2 MET 45 -3.975 1.005 -1.743 308 HG3 MET 45 HG3 MET 45 -4.072 2.602 -1.017 309 HE1 MET 45 HE1 MET 45 -4.795 1.930 2.006 310 HE2 MET 45 HE2 MET 45 -3.569 3.114 1.547 311 HE3 MET 45 HE3 MET 45 -3.187 1.859 2.727 312 H THR 46 H THR 46 -7.427 -0.713 1.520 313 HA THR 46 HA THR 46 -10.057 -1.168 0.306 314 HB THR 46 HB THR 46 -10.792 -1.857 2.550 315 HG1 THR 46 HG1 THR 46 -9.068 -1.845 4.244 316 HG21 THR 46 HG21 THR 46 -9.569 -3.582 1.272 317 HG22 THR 46 HG22 THR 46 -9.244 -3.742 3.001 318 HG23 THR 46 HG23 THR 46 -8.038 -3.009 1.943 319 H GLU 47 H GLU 47 -11.979 0.028 0.995 320 HA GLU 47 HA GLU 47 -11.704 2.794 0.730 321 HB2 GLU 47 HB2 GLU 47 -13.777 1.487 0.217 322 HB3 GLU 47 HB3 GLU 47 -14.095 1.357 1.945 323 HG2 GLU 47 HG2 GLU 47 -14.195 3.881 2.054 324 HG3 GLU 47 HG3 GLU 47 -14.025 3.903 0.296 325 H GLU 48 H GLU 48 -11.971 0.865 3.630 326 HA GLU 48 HA GLU 48 -12.396 2.605 5.705 327 HB2 GLU 48 HB2 GLU 48 -12.215 0.188 5.953 328 HB3 GLU 48 HB3 GLU 48 -10.547 0.207 5.408 329 HG2 GLU 48 HG2 GLU 48 -10.561 -0.194 7.747 330 HG3 GLU 48 HG3 GLU 48 -9.918 1.425 7.469 331 H PHE 49 H PHE 49 -9.304 1.899 4.094 332 HA PHE 49 HA PHE 49 -7.721 3.646 5.755 333 HB2 PHE 49 HB2 PHE 49 -7.128 1.890 3.355 334 HB3 PHE 49 HB3 PHE 49 -5.895 2.945 4.040 335 HD1 PHE 49 HD2 PHE 49 -8.236 0.176 4.897 336 HD2 PHE 49 HD1 PHE 49 -4.738 2.336 6.018 337 HE1 PHE 49 HE2 PHE 49 -7.811 -1.447 6.684 338 HE2 PHE 49 HE1 PHE 49 -4.330 0.717 7.802 339 HZ PHE 49 HZ PHE 49 -5.857 -1.174 8.147 340 H LEU 50 H LEU 50 -9.083 3.943 2.470 341 HA LEU 50 HA LEU 50 -7.770 6.443 1.918 342 HB2 LEU 50 HB2 LEU 50 -10.290 5.268 0.672 343 HB3 LEU 50 HB3 LEU 50 -9.530 6.749 0.141 344 HG LEU 50 HG LEU 50 -7.411 5.292 -0.280 345 HD11 LEU 50 HD11 LEU 50 -7.852 2.970 -0.874 346 HD12 LEU 50 HD12 LEU 50 -9.509 3.116 -0.286 347 HD13 LEU 50 HD13 LEU 50 -8.153 3.268 0.836 348 HD21 LEU 50 HD21 LEU 50 -8.169 4.767 -2.562 349 HD22 LEU 50 HD22 LEU 50 -8.675 6.379 -2.064 350 HD23 LEU 50 HD23 LEU 50 -9.845 5.054 -2.076 351 H LEU 51 H LEU 51 -10.752 5.529 3.518 352 HA LEU 51 HA LEU 51 -11.784 8.186 3.904 353 HB2 LEU 51 HB2 LEU 51 -12.513 5.508 5.126 354 HB3 LEU 51 HB3 LEU 51 -13.297 6.995 5.613 355 HG LEU 51 HG LEU 51 -13.396 5.745 2.848 356 HD11 LEU 51 HD11 LEU 51 -15.585 6.141 4.917 357 HD12 LEU 51 HD12 LEU 51 -14.811 4.611 4.493 358 HD13 LEU 51 HD13 LEU 51 -15.787 5.459 3.299 359 HD21 LEU 51 HD21 LEU 51 -14.935 7.590 2.240 360 HD22 LEU 51 HD22 LEU 51 -13.316 8.172 2.608 361 HD23 LEU 51 HD23 LEU 51 -14.611 8.369 3.792 362 H PHE 52 H PHE 52 -9.630 6.042 5.760 363 HA PHE 52 HA PHE 52 -9.533 7.583 8.152 364 HB2 PHE 52 HB2 PHE 52 -8.594 5.296 8.071 365 HB3 PHE 52 HB3 PHE 52 -7.349 5.823 6.941 366 HD1 PHE 52 HD1 PHE 52 -8.543 6.128 10.463 367 HD2 PHE 52 HD2 PHE 52 -5.338 6.967 7.750 368 HE1 PHE 52 HE1 PHE 52 -7.098 6.747 12.350 369 HE2 PHE 52 HE2 PHE 52 -3.900 7.579 9.650 370 HZ PHE 52 HZ PHE 52 -4.777 7.466 11.950 371 H SER 53 H SER 53 -7.431 7.606 5.250 372 HA SER 53 HA SER 53 -5.759 9.783 5.864 373 HB2 SER 53 HB2 SER 53 -5.330 8.288 3.942 374 HB3 SER 53 HB3 SER 53 -6.774 8.886 3.126 375 HG SER 53 HG SER 53 -4.407 9.823 2.835 376 H ARG 54 H ARG 54 -8.907 9.708 4.243 377 HA ARG 54 HA ARG 54 -9.252 12.431 3.655 378 HB2 ARG 54 HB2 ARG 54 -10.606 10.528 2.750 379 HB3 ARG 54 HB3 ARG 54 -11.375 10.351 4.322 380 HG2 ARG 54 HG2 ARG 54 -12.347 12.622 4.091 381 HG3 ARG 54 HG3 ARG 54 -11.591 12.776 2.501 382 HD2 ARG 54 HD2 ARG 54 -12.917 10.869 1.677 383 HD3 ARG 54 HD3 ARG 54 -13.645 10.669 3.278 384 HE ARG 54 HE ARG 54 -13.982 13.219 1.852 385 HH11 ARG 54 HH11 ARG 54 -15.453 10.342 3.085 386 HH12 ARG 54 HH12 ARG 54 -17.051 10.922 2.809 387 HH21 ARG 54 HH21 ARG 54 -16.015 13.940 1.536 388 HH22 ARG 54 HH22 ARG 54 -17.366 12.951 1.958 389 H ASP 55 H ASP 55 -10.227 10.566 6.541 390 HA ASP 55 HA ASP 55 -11.474 12.703 7.965 391 HB2 ASP 55 HB2 ASP 55 -11.977 10.302 8.379 392 HB3 ASP 55 HB3 ASP 55 -10.346 10.059 8.995 393 H ARG 56 H ARG 56 -8.176 11.512 7.805 394 HA ARG 56 HA ARG 56 -7.097 12.666 10.152 395 HB2 ARG 56 HB2 ARG 56 -6.064 10.812 8.817 396 HB3 ARG 56 HB3 ARG 56 -5.670 11.967 7.549 397 HG2 ARG 56 HG2 ARG 56 -4.178 13.176 9.129 398 HG3 ARG 56 HG3 ARG 56 -4.571 11.999 10.387 399 HD2 ARG 56 HD2 ARG 56 -2.400 11.495 9.329 400 HD3 ARG 56 HD3 ARG 56 -3.567 10.199 9.034 401 HE ARG 56 HE ARG 56 -3.775 11.885 6.870 402 HH11 ARG 56 HH11 ARG 56 -1.147 10.063 8.213 403 HH12 ARG 56 HH12 ARG 56 -0.412 9.835 6.663 404 HH21 ARG 56 HH21 ARG 56 -2.807 11.584 4.953 405 HH22 ARG 56 HH22 ARG 56 -1.333 10.686 4.852 406 H GLY 57 H GLY 57 -7.543 13.936 6.873 407 HA2 GLY 57 HA2 GLY 57 -7.985 16.531 7.274 408 HA3 GLY 57 HA3 GLY 57 -6.236 16.504 7.482 409 H ASN 58 H ASN 58 -8.552 15.012 5.184 410 HA ASN 58 HA ASN 58 -7.278 16.229 2.852 411 HB2 ASN 58 HB2 ASN 58 -5.764 14.313 3.452 412 HB3 ASN 58 HB3 ASN 58 -7.125 13.210 3.330 413 HD21 ASN 58 HD21 ASN 58 -6.067 11.981 1.769 414 HD22 ASN 58 HD22 ASN 58 -5.847 12.539 0.149 415 H ASP 59 H ASP 59 -8.414 15.495 0.780 416 HA ASP 59 HA ASP 59 -10.746 13.811 0.966 417 HB2 ASP 59 HB2 ASP 59 -11.560 16.115 1.762 418 HB3 ASP 59 HB3 ASP 59 -11.268 16.698 0.128 419 H LEU 60 H LEU 60 -11.397 13.038 -1.019 420 HA LEU 60 HA LEU 60 -10.810 14.019 -3.584 421 HB2 LEU 60 HB2 LEU 60 -8.451 13.508 -3.045 422 HB3 LEU 60 HB3 LEU 60 -8.878 11.857 -2.632 423 HG LEU 60 HG LEU 60 -9.491 11.424 -5.017 424 HD11 LEU 60 HD11 LEU 60 -10.159 13.667 -5.703 425 HD12 LEU 60 HD12 LEU 60 -8.922 13.034 -6.784 426 HD13 LEU 60 HD13 LEU 60 -8.494 14.236 -5.562 427 HD21 LEU 60 HD21 LEU 60 -6.669 12.495 -4.677 428 HD22 LEU 60 HD22 LEU 60 -7.215 11.379 -5.933 429 HD23 LEU 60 HD23 LEU 60 -7.228 10.876 -4.245 430 H MET 61 H MET 61 -10.880 10.928 -1.802 431 HA MET 61 HA MET 61 -12.350 9.524 -3.844 432 HB2 MET 61 HB2 MET 61 -10.592 8.551 -2.189 433 HB3 MET 61 HB3 MET 61 -11.887 8.537 -1.001 434 HG2 MET 61 HG2 MET 61 -11.942 7.069 -3.651 435 HG3 MET 61 HG3 MET 61 -11.532 6.341 -2.103 436 HE1 MET 61 HE1 MET 61 -14.938 6.330 -0.221 437 HE2 MET 61 HE2 MET 61 -13.639 7.511 -0.060 438 HE3 MET 61 HE3 MET 61 -13.258 5.793 -0.209 439 H THR 62 H THR 62 -14.279 10.634 -4.094 440 HA THR 62 HA THR 62 -16.356 10.208 -2.025 441 HB THR 62 HB THR 62 -17.422 12.417 -2.789 442 HG1 THR 62 HG1 THR 62 -15.140 13.618 -3.549 443 HG21 THR 62 HG21 THR 62 -14.721 12.662 -1.411 444 HG22 THR 62 HG22 THR 62 -16.258 12.309 -0.617 445 HG23 THR 62 HG23 THR 62 -16.004 13.875 -1.390 446 HA PRO 63 HA PRO 63 -18.534 8.467 -5.628 447 HB2 PRO 63 HB2 PRO 63 -21.023 8.554 -4.008 448 HB3 PRO 63 HB3 PRO 63 -20.150 7.152 -4.638 449 HG2 PRO 63 HG2 PRO 63 -20.180 7.738 -1.995 450 HG3 PRO 63 HG3 PRO 63 -18.759 7.012 -2.776 451 HD2 PRO 63 HD2 PRO 63 -19.239 9.915 -2.051 452 HD3 PRO 63 HD3 PRO 63 -17.786 8.915 -1.796 453 H ARG 64 H ARG 64 -18.375 10.339 -6.944 454 HA ARG 64 HA ARG 64 -20.778 12.088 -7.064 455 HB2 ARG 64 HB2 ARG 64 -17.895 12.638 -7.902 456 HB3 ARG 64 HB3 ARG 64 -19.249 13.693 -8.311 457 HG2 ARG 64 HG2 ARG 64 -19.649 14.210 -5.982 458 HG3 ARG 64 HG3 ARG 64 -18.471 13.003 -5.455 459 HD2 ARG 64 HD2 ARG 64 -17.749 15.424 -7.137 460 HD3 ARG 64 HD3 ARG 64 -17.676 15.404 -5.373 461 HE ARG 64 HE ARG 64 -16.196 13.225 -6.193 462 HH11 ARG 64 HH11 ARG 64 -15.980 16.617 -6.830 463 HH12 ARG 64 HH12 ARG 64 -14.253 16.601 -6.835 464 HH21 ARG 64 HH21 ARG 64 -13.992 13.248 -6.195 465 HH22 ARG 64 HH22 ARG 64 -13.147 14.728 -6.487 466 HA PRO 65 HA PRO 65 -20.904 9.143 -10.658 467 HB2 PRO 65 HB2 PRO 65 -23.623 9.141 -11.035 468 HB3 PRO 65 HB3 PRO 65 -22.824 8.189 -9.774 469 HG2 PRO 65 HG2 PRO 65 -24.168 10.890 -9.543 470 HG3 PRO 65 HG3 PRO 65 -24.336 9.469 -8.486 471 HD2 PRO 65 HD2 PRO 65 -22.722 11.545 -7.831 472 HD3 PRO 65 HD3 PRO 65 -22.294 9.872 -7.408 473 H GLU 66 H GLU 66 -22.290 12.391 -10.520 474 HA GLU 66 HA GLU 66 -22.987 12.652 -13.288 475 HB2 GLU 66 HB2 GLU 66 -22.420 14.867 -11.265 476 HB3 GLU 66 HB3 GLU 66 -23.306 15.038 -12.782 477 HG2 GLU 66 HG2 GLU 66 -25.066 13.531 -11.917 478 HG3 GLU 66 HG3 GLU 66 -24.183 13.373 -10.400 479 H PHE 67 H PHE 67 -20.064 13.334 -11.433 480 HA PHE 67 HA PHE 67 -18.696 14.454 -13.814 481 HB2 PHE 67 HB2 PHE 67 -17.979 14.690 -10.856 482 HB3 PHE 67 HB3 PHE 67 -17.052 15.398 -12.177 483 HD1 PHE 67 HD1 PHE 67 -17.939 17.345 -13.440 484 HD2 PHE 67 HD2 PHE 67 -20.119 15.678 -10.157 485 HE1 PHE 67 HE1 PHE 67 -19.378 19.338 -13.375 486 HE2 PHE 67 HE2 PHE 67 -21.552 17.672 -10.101 487 HZ PHE 67 HZ PHE 67 -21.191 19.502 -11.709 488 H ASN 68 H ASN 68 -17.926 12.425 -10.965 489 HA ASN 68 HA ASN 68 -16.766 10.542 -10.610 490 HB2 ASN 68 HB2 ASN 68 -18.433 9.592 -12.168 491 HB3 ASN 68 HB3 ASN 68 -17.400 9.981 -13.537 492 HD21 ASN 68 HD21 ASN 68 -17.760 7.914 -10.724 493 HD22 ASN 68 HD22 ASN 68 -16.647 6.701 -11.244 494 H PHE 69 H PHE 69 -14.797 11.588 -10.153 495 HA PHE 69 HA PHE 69 -12.840 12.014 -12.301 496 HB2 PHE 69 HB2 PHE 69 -12.718 12.731 -9.345 497 HB3 PHE 69 HB3 PHE 69 -11.475 13.126 -10.531 498 HD1 PHE 69 HD1 PHE 69 -12.268 14.523 -12.630 499 HD2 PHE 69 HD2 PHE 69 -14.442 14.309 -8.951 500 HE1 PHE 69 HE1 PHE 69 -13.430 16.616 -13.188 501 HE2 PHE 69 HE2 PHE 69 -15.595 16.400 -9.516 502 HZ PHE 69 HZ PHE 69 -15.095 17.559 -11.631 503 HA PRO 70 HA PRO 70 -10.980 8.006 -11.066 504 HB2 PRO 70 HB2 PRO 70 -9.457 7.603 -13.271 505 HB3 PRO 70 HB3 PRO 70 -11.217 7.415 -13.313 506 HG2 PRO 70 HG2 PRO 70 -9.538 9.753 -14.230 507 HG3 PRO 70 HG3 PRO 70 -10.928 8.997 -15.038 508 HD2 PRO 70 HD2 PRO 70 -11.100 11.310 -13.524 509 HD3 PRO 70 HD3 PRO 70 -12.465 10.200 -13.780 510 H GLY 71 H GLY 71 -9.923 9.274 -9.303 511 HA2 GLY 71 HA2 GLY 71 -7.058 9.899 -9.792 512 HA3 GLY 71 HA3 GLY 71 -8.008 10.443 -8.421 513 H LEU 72 H LEU 72 -8.045 7.145 -9.622 514 HA LEU 72 HA LEU 72 -7.718 5.126 -8.711 515 HB2 LEU 72 HB2 LEU 72 -5.303 6.059 -8.855 516 HB3 LEU 72 HB3 LEU 72 -5.391 6.247 -7.118 517 HG LEU 72 HG LEU 72 -5.746 3.556 -8.517 518 HD11 LEU 72 HD11 LEU 72 -3.431 3.040 -7.921 519 HD12 LEU 72 HD12 LEU 72 -3.203 4.679 -7.308 520 HD13 LEU 72 HD13 LEU 72 -3.517 4.412 -9.025 521 HD21 LEU 72 HD21 LEU 72 -6.701 3.598 -6.247 522 HD22 LEU 72 HD22 LEU 72 -5.171 4.183 -5.590 523 HD23 LEU 72 HD23 LEU 72 -5.269 2.569 -6.301 524 H LYS 73 H LYS 73 -9.357 4.517 -7.430 525 HA LYS 73 HA LYS 73 -9.563 5.578 -4.665 526 HB2 LYS 73 HB2 LYS 73 -11.919 5.494 -4.834 527 HB3 LYS 73 HB3 LYS 73 -11.398 6.128 -6.389 528 HG2 LYS 73 HG2 LYS 73 -11.548 3.556 -7.106 529 HG3 LYS 73 HG3 LYS 73 -12.629 3.466 -5.716 530 HD2 LYS 73 HD2 LYS 73 -14.042 3.861 -7.579 531 HD3 LYS 73 HD3 LYS 73 -13.910 5.429 -6.775 532 HE2 LYS 73 HE2 LYS 73 -13.687 5.749 -9.176 533 HE3 LYS 73 HE3 LYS 73 -12.121 6.062 -8.426 534 HZ1 LYS 73 HZ1 LYS 73 -11.448 3.804 -9.045 535 HZ2 LYS 73 HZ2 LYS 73 -11.881 4.712 -10.405 536 HZ3 LYS 73 HZ3 LYS 73 -12.943 3.552 -9.788 537 H ALA 74 H ALA 74 -11.230 3.846 -3.479 538 HA ALA 74 HA ALA 74 -9.739 1.577 -2.798 539 HB1 ALA 74 HB1 ALA 74 -12.714 2.051 -2.433 540 HB2 ALA 74 HB2 ALA 74 -11.434 2.573 -1.334 541 HB3 ALA 74 HB3 ALA 74 -11.740 0.853 -1.574 542 H GLY 75 H GLY 75 -9.335 -0.192 -3.996 543 HA2 GLY 75 HA2 GLY 75 -9.964 -2.201 -5.043 544 HA3 GLY 75 HA3 GLY 75 -11.454 -1.475 -5.584 545 H ASP 76 H ASP 76 -8.556 0.378 -6.101 546 HA ASP 76 HA ASP 76 -8.260 -0.658 -8.871 547 HB2 ASP 76 HB2 ASP 76 -7.591 2.101 -7.757 548 HB3 ASP 76 HB3 ASP 76 -7.137 1.556 -9.369 549 H ARG 77 H ARG 77 -6.799 -2.323 -8.457 550 HA ARG 77 HA ARG 77 -4.209 -1.726 -7.181 551 HB2 ARG 77 HB2 ARG 77 -5.398 -3.884 -6.744 552 HB3 ARG 77 HB3 ARG 77 -5.272 -4.297 -8.450 553 HG2 ARG 77 HG2 ARG 77 -2.777 -4.300 -8.221 554 HG3 ARG 77 HG3 ARG 77 -2.964 -3.979 -6.493 555 HD2 ARG 77 HD2 ARG 77 -2.583 -6.368 -6.902 556 HD3 ARG 77 HD3 ARG 77 -4.197 -6.099 -6.229 557 HE ARG 77 HE ARG 77 -4.417 -6.103 -9.026 558 HH11 ARG 77 HH11 ARG 77 -3.767 -8.372 -6.495 559 HH12 ARG 77 HH12 ARG 77 -4.301 -9.719 -7.428 560 HH21 ARG 77 HH21 ARG 77 -5.129 -7.818 -10.168 561 HH22 ARG 77 HH22 ARG 77 -5.083 -9.404 -9.488 562 H TRP 78 H TRP 78 -3.366 -0.234 -8.692 563 HA TRP 78 HA TRP 78 -2.070 -1.160 -11.094 564 HB2 TRP 78 HB2 TRP 78 -4.548 0.605 -11.416 565 HB3 TRP 78 HB3 TRP 78 -3.276 0.592 -12.627 566 HD1 TRP 78 HD1 TRP 78 -2.856 -1.969 -13.793 567 HE1 TRP 78 HE1 TRP 78 -4.647 -3.661 -14.528 568 HE3 TRP 78 HE3 TRP 78 -6.785 -0.279 -10.982 569 HZ2 TRP 78 HZ2 TRP 78 -7.356 -4.216 -13.994 570 HZ3 TRP 78 HZ3 TRP 78 -8.944 -1.451 -11.145 571 HH2 TRP 78 HH2 TRP 78 -9.226 -3.383 -12.623 572 H CYS 79 H CYS 79 -0.199 -0.045 -10.971 573 HA CYS 79 HA CYS 79 1.379 1.536 -10.504 574 HB2 CYS 79 HB2 CYS 79 1.090 3.652 -11.717 575 HB3 CYS 79 HB3 CYS 79 0.515 2.302 -12.685 576 HG CYS 79 HG CYS 79 -1.900 3.758 -10.890 577 H LEU 80 H LEU 80 -0.292 1.099 -8.264 578 HA LEU 80 HA LEU 80 -1.298 3.422 -7.024 579 HB2 LEU 80 HB2 LEU 80 -2.042 1.145 -6.426 580 HB3 LEU 80 HB3 LEU 80 -0.447 0.740 -5.825 581 HG LEU 80 HG LEU 80 -2.321 1.181 -4.108 582 HD11 LEU 80 HD11 LEU 80 0.244 2.728 -3.699 583 HD12 LEU 80 HD12 LEU 80 -0.002 1.007 -3.398 584 HD13 LEU 80 HD13 LEU 80 -0.881 2.197 -2.443 585 HD21 LEU 80 HD21 LEU 80 -2.806 3.474 -3.475 586 HD22 LEU 80 HD22 LEU 80 -3.262 3.184 -5.150 587 HD23 LEU 80 HD23 LEU 80 -1.789 4.085 -4.784 588 H CYS 81 H CYS 81 -0.187 5.125 -6.344 589 HA CYS 81 HA CYS 81 2.549 5.464 -6.037 590 HB2 CYS 81 HB2 CYS 81 1.052 7.380 -6.134 591 HB3 CYS 81 HB3 CYS 81 0.284 6.923 -4.614 592 HG CYS 81 HG CYS 81 1.695 8.780 -3.509 593 H ALA 82 H ALA 82 3.974 4.621 -4.634 594 HA ALA 82 HA ALA 82 3.401 2.730 -2.705 595 HB1 ALA 82 HB1 ALA 82 5.614 2.995 -3.772 596 HB2 ALA 82 HB2 ALA 82 5.751 2.884 -2.015 597 HB3 ALA 82 HB3 ALA 82 5.902 4.451 -2.817 598 H SER 83 H SER 83 3.665 6.234 -2.244 599 HA SER 83 HA SER 83 3.832 6.430 0.535 600 HB2 SER 83 HB2 SER 83 2.436 8.273 -1.432 601 HB3 SER 83 HB3 SER 83 2.728 8.687 0.258 602 HG SER 83 HG SER 83 4.865 8.783 -0.104 603 H ARG 84 H ARG 84 0.951 5.857 -1.461 604 HA ARG 84 HA ARG 84 -1.072 6.382 0.424 605 HB2 ARG 84 HB2 ARG 84 -1.500 6.103 -1.995 606 HB3 ARG 84 HB3 ARG 84 -1.080 4.399 -1.888 607 HG2 ARG 84 HG2 ARG 84 -3.438 4.431 -1.939 608 HG3 ARG 84 HG3 ARG 84 -3.038 4.154 -0.247 609 HD2 ARG 84 HD2 ARG 84 -4.831 5.749 -0.305 610 HD3 ARG 84 HD3 ARG 84 -3.368 6.636 0.142 611 HE ARG 84 HE ARG 84 -4.289 6.584 -2.660 612 HH11 ARG 84 HH11 ARG 84 -3.545 8.441 0.165 613 HH12 ARG 84 HH12 ARG 84 -3.705 9.944 -0.670 614 HH21 ARG 84 HH21 ARG 84 -4.476 8.518 -3.688 615 HH22 ARG 84 HH22 ARG 84 -4.221 9.988 -2.820 616 H TRP 85 H TRP 85 0.407 3.229 -0.438 617 HA TRP 85 HA TRP 85 -0.938 1.759 1.652 618 HB2 TRP 85 HB2 TRP 85 -0.578 0.249 -0.046 619 HB3 TRP 85 HB3 TRP 85 0.832 1.103 -0.654 620 HD1 TRP 85 HD1 TRP 85 3.043 -0.126 -0.340 621 HE1 TRP 85 HE1 TRP 85 3.946 -1.979 1.190 622 HE3 TRP 85 HE3 TRP 85 -1.090 -0.931 2.538 623 HZ2 TRP 85 HZ2 TRP 85 3.048 -3.578 3.297 624 HZ3 TRP 85 HZ3 TRP 85 -0.986 -2.649 4.290 625 HH2 TRP 85 HH2 TRP 85 1.043 -3.952 4.665 626 H GLN 86 H GLN 86 2.424 2.809 1.122 627 HA GLN 86 HA GLN 86 3.584 1.533 3.331 628 HB2 GLN 86 HB2 GLN 86 4.923 2.283 1.436 629 HB3 GLN 86 HB3 GLN 86 4.561 3.962 1.784 630 HG2 GLN 86 HG2 GLN 86 6.863 3.287 2.474 631 HG3 GLN 86 HG3 GLN 86 5.892 3.923 3.800 632 HE21 GLN 86 HE21 GLN 86 7.191 2.924 5.337 633 HE22 GLN 86 HE22 GLN 86 7.202 1.213 5.599 634 H GLU 87 H GLU 87 2.323 4.873 3.057 635 HA GLU 87 HA GLU 87 3.282 5.701 5.626 636 HB2 GLU 87 HB2 GLU 87 2.721 7.255 3.747 637 HB3 GLU 87 HB3 GLU 87 1.015 6.905 3.986 638 HG2 GLU 87 HG2 GLU 87 1.136 7.882 6.252 639 HG3 GLU 87 HG3 GLU 87 2.850 8.218 6.009 640 H ALA 88 H ALA 88 0.259 4.216 4.524 641 HA ALA 88 HA ALA 88 -1.221 4.294 6.948 642 HB1 ALA 88 HB1 ALA 88 -1.237 2.160 4.783 643 HB2 ALA 88 HB2 ALA 88 -2.222 3.623 4.794 644 HB3 ALA 88 HB3 ALA 88 -2.478 2.380 6.022 645 H PHE 89 H PHE 89 1.340 2.141 5.784 646 HA PHE 89 HA PHE 89 1.299 0.276 7.952 647 HB2 PHE 89 HB2 PHE 89 2.216 -0.267 5.707 648 HB3 PHE 89 HB3 PHE 89 3.503 0.910 5.936 649 HD1 PHE 89 HD2 PHE 89 2.141 -2.325 7.202 650 HD2 PHE 89 HD1 PHE 89 5.522 0.298 7.113 651 HE1 PHE 89 HE2 PHE 89 3.523 -4.054 8.250 652 HE2 PHE 89 HE1 PHE 89 6.887 -1.451 8.165 653 HZ PHE 89 HZ PHE 89 5.893 -3.623 8.734 654 H GLU 90 H GLU 90 3.205 3.194 7.252 655 HA GLU 90 HA GLU 90 5.058 3.006 9.406 656 HB2 GLU 90 HB2 GLU 90 4.167 5.431 7.778 657 HB3 GLU 90 HB3 GLU 90 5.554 5.419 8.870 658 HG2 GLU 90 HG2 GLU 90 6.665 3.742 7.496 659 HG3 GLU 90 HG3 GLU 90 5.261 3.635 6.439 660 H ALA 91 H ALA 91 1.941 4.650 9.046 661 HA ALA 91 HA ALA 91 1.915 5.912 11.623 662 HB1 ALA 91 HB1 ALA 91 0.555 6.750 9.755 663 HB2 ALA 91 HB2 ALA 91 -0.457 6.374 11.151 664 HB3 ALA 91 HB3 ALA 91 -0.406 5.271 9.771 665 H GLY 92 H GLY 92 1.165 2.659 10.537 666 HA2 GLY 92 HA2 GLY 92 1.612 1.038 12.379 667 HA3 GLY 92 HA3 GLY 92 0.442 1.925 13.336 668 H MET 93 H MET 93 -1.185 2.068 10.621 669 HA MET 93 HA MET 93 -2.885 -0.150 11.450 670 HB2 MET 93 HB2 MET 93 -3.447 1.828 9.215 671 HB3 MET 93 HB3 MET 93 -4.606 0.827 10.069 672 HG2 MET 93 HG2 MET 93 -4.928 2.975 10.961 673 HG3 MET 93 HG3 MET 93 -3.930 2.170 12.176 674 HE1 MET 93 HE1 MET 93 -3.962 4.681 9.138 675 HE2 MET 93 HE2 MET 93 -2.724 3.520 8.647 676 HE3 MET 93 HE3 MET 93 -2.269 5.170 9.067 677 H ALA 94 H ALA 94 -2.319 0.860 8.048 678 HA ALA 94 HA ALA 94 -1.794 -0.192 6.129 679 HB1 ALA 94 HB1 ALA 94 0.251 -0.856 7.321 680 HB2 ALA 94 HB2 ALA 94 -0.225 -2.047 6.121 681 HB3 ALA 94 HB3 ALA 94 -0.534 -2.342 7.830 682 HA PRO 95 HA PRO 95 -5.195 -3.240 5.568 683 HB2 PRO 95 HB2 PRO 95 -5.468 -3.013 2.880 684 HB3 PRO 95 HB3 PRO 95 -5.991 -1.711 3.963 685 HG2 PRO 95 HG2 PRO 95 -3.393 -1.958 2.430 686 HG3 PRO 95 HG3 PRO 95 -4.506 -0.572 2.511 687 HD2 PRO 95 HD2 PRO 95 -2.277 -0.719 4.073 688 HD3 PRO 95 HD3 PRO 95 -3.766 0.068 4.634 689 HA PRO 96 HA PRO 96 -2.993 -6.955 3.976 690 HB2 PRO 96 HB2 PRO 96 -4.983 -8.337 2.676 691 HB3 PRO 96 HB3 PRO 96 -4.850 -8.262 4.438 692 HG2 PRO 96 HG2 PRO 96 -6.615 -6.640 2.603 693 HG3 PRO 96 HG3 PRO 96 -7.033 -7.432 4.138 694 HD2 PRO 96 HD2 PRO 96 -6.504 -4.773 3.987 695 HD3 PRO 96 HD3 PRO 96 -6.078 -5.732 5.423 696 H VAL 97 H VAL 97 -1.507 -6.365 2.446 697 HA VAL 97 HA VAL 97 -2.307 -5.611 -0.277 698 HB VAL 97 HB VAL 97 -0.639 -4.178 0.901 699 HG11 VAL 97 HG11 VAL 97 1.196 -6.602 0.824 700 HG12 VAL 97 HG12 VAL 97 0.474 -5.887 2.269 701 HG13 VAL 97 HG13 VAL 97 1.656 -4.971 1.331 702 HG21 VAL 97 HG21 VAL 97 -0.595 -4.234 -1.576 703 HG22 VAL 97 HG22 VAL 97 0.549 -5.581 -1.536 704 HG23 VAL 97 HG23 VAL 97 1.031 -3.995 -0.923 705 H VAL 98 H VAL 98 -1.554 -6.732 -2.108 706 HA VAL 98 HA VAL 98 -1.027 -9.553 -1.862 707 HB VAL 98 HB VAL 98 -0.931 -9.642 -4.290 708 HG11 VAL 98 HG11 VAL 98 -3.135 -7.749 -3.412 709 HG12 VAL 98 HG12 VAL 98 -3.179 -9.515 -3.345 710 HG13 VAL 98 HG13 VAL 98 -3.122 -8.691 -4.906 711 HG21 VAL 98 HG21 VAL 98 0.433 -7.672 -4.771 712 HG22 VAL 98 HG22 VAL 98 -0.885 -6.599 -4.286 713 HG23 VAL 98 HG23 VAL 98 -1.055 -7.615 -5.720 714 H LEU 99 H LEU 99 0.820 -10.649 -2.768 715 HA LEU 99 HA LEU 99 3.335 -9.086 -3.021 716 HB2 LEU 99 HB2 LEU 99 2.912 -11.975 -2.148 717 HB3 LEU 99 HB3 LEU 99 4.492 -11.240 -2.409 718 HG LEU 99 HG LEU 99 2.481 -10.341 -0.297 719 HD11 LEU 99 HD11 LEU 99 4.008 -11.306 1.342 720 HD12 LEU 99 HD12 LEU 99 5.045 -11.916 0.050 721 HD13 LEU 99 HD13 LEU 99 3.405 -12.539 0.237 722 HD21 LEU 99 HD21 LEU 99 5.330 -9.424 -0.800 723 HD22 LEU 99 HD22 LEU 99 4.301 -8.934 0.550 724 HD23 LEU 99 HD23 LEU 99 3.860 -8.487 -1.095 725 H GLN 100 H GLN 100 1.005 -10.743 -4.717 726 HA GLN 100 HA GLN 100 2.698 -12.241 -6.562 727 HB2 GLN 100 HB2 GLN 100 -0.338 -11.932 -6.673 728 HB3 GLN 100 HB3 GLN 100 0.642 -13.181 -7.430 729 HG2 GLN 100 HG2 GLN 100 -0.324 -14.287 -5.605 730 HG3 GLN 100 HG3 GLN 100 1.281 -13.879 -5.003 731 HE21 GLN 100 HE21 GLN 100 0.849 -13.682 -2.831 732 HE22 GLN 100 HE22 GLN 100 -0.323 -12.625 -2.143 733 H SER 101 H SER 101 0.359 -9.565 -6.679 734 HA SER 101 HA SER 101 0.986 -8.894 -9.449 735 HB2 SER 101 HB2 SER 101 -1.340 -8.715 -8.746 736 HB3 SER 101 HB3 SER 101 -0.912 -7.605 -7.454 737 HG SER 101 HG SER 101 -0.038 -6.717 -9.885 738 H THR 102 H THR 102 1.696 -7.586 -6.212 739 HA THR 102 HA THR 102 2.823 -5.107 -6.923 740 HB THR 102 HB THR 102 3.820 -6.870 -4.629 741 HG1 THR 102 HG1 THR 102 2.146 -6.046 -3.435 742 HG21 THR 102 HG21 THR 102 5.215 -4.859 -5.004 743 HG22 THR 102 HG22 THR 102 4.283 -4.694 -3.515 744 HG23 THR 102 HG23 THR 102 3.771 -3.840 -4.971 745 H GLU 103 H GLU 103 4.502 -4.671 -8.254 746 HA GLU 103 HA GLU 103 6.286 -6.750 -9.182 747 HB2 GLU 103 HB2 GLU 103 6.230 -3.809 -9.958 748 HB3 GLU 103 HB3 GLU 103 7.103 -5.083 -10.792 749 HG2 GLU 103 HG2 GLU 103 5.308 -5.094 -12.179 750 HG3 GLU 103 HG3 GLU 103 4.575 -6.098 -10.934 751 H LYS 104 H LYS 104 8.634 -6.169 -9.598 752 HA LYS 104 HA LYS 104 9.937 -6.130 -7.071 753 HB2 LYS 104 HB2 LYS 104 10.536 -7.415 -9.256 754 HB3 LYS 104 HB3 LYS 104 11.353 -5.946 -9.753 755 HG2 LYS 104 HG2 LYS 104 12.059 -7.360 -7.161 756 HG3 LYS 104 HG3 LYS 104 12.750 -7.855 -8.707 757 HD2 LYS 104 HD2 LYS 104 13.696 -5.554 -8.989 758 HD3 LYS 104 HD3 LYS 104 13.052 -5.117 -7.403 759 HE2 LYS 104 HE2 LYS 104 15.431 -5.675 -7.237 760 HE3 LYS 104 HE3 LYS 104 14.465 -6.861 -6.357 761 HZ1 LYS 104 HZ1 LYS 104 15.613 -7.214 -9.077 762 HZ2 LYS 104 HZ2 LYS 104 14.650 -8.345 -8.272 763 HZ3 LYS 104 HZ3 LYS 104 16.167 -7.943 -7.654 764 H SER 105 H SER 105 9.358 -3.587 -9.419 765 HA SER 105 HA SER 105 11.391 -1.744 -8.687 766 HB2 SER 105 HB2 SER 105 10.092 -1.425 -10.732 767 HB3 SER 105 HB3 SER 105 8.613 -1.214 -9.803 768 HG SER 105 HG SER 105 10.747 0.510 -9.246 769 H ALA 106 H ALA 106 8.225 -2.420 -7.308 770 HA ALA 106 HA ALA 106 7.947 -0.342 -5.461 771 HB1 ALA 106 HB1 ALA 106 7.086 -3.240 -5.158 772 HB2 ALA 106 HB2 ALA 106 6.172 -1.970 -5.972 773 HB3 ALA 106 HB3 ALA 106 6.455 -1.870 -4.235 774 H LEU 107 H LEU 107 9.937 -3.239 -5.287 775 HA LEU 107 HA LEU 107 10.397 -3.315 -2.495 776 HB2 LEU 107 HB2 LEU 107 11.813 -4.545 -4.868 777 HB3 LEU 107 HB3 LEU 107 12.462 -4.749 -3.252 778 HG LEU 107 HG LEU 107 10.475 -5.953 -2.531 779 HD11 LEU 107 HD11 LEU 107 9.306 -5.535 -5.295 780 HD12 LEU 107 HD12 LEU 107 8.708 -4.847 -3.783 781 HD13 LEU 107 HD13 LEU 107 8.640 -6.588 -4.042 782 HD21 LEU 107 HD21 LEU 107 11.528 -7.058 -5.157 783 HD22 LEU 107 HD22 LEU 107 10.709 -7.987 -3.896 784 HD23 LEU 107 HD23 LEU 107 12.275 -7.250 -3.567 785 H ARG 108 H ARG 108 11.651 -1.124 -4.771 786 HA ARG 108 HA ARG 108 13.963 -0.361 -3.127 787 HB2 ARG 108 HB2 ARG 108 12.924 0.657 -5.790 788 HB3 ARG 108 HB3 ARG 108 14.336 1.324 -4.967 789 HG2 ARG 108 HG2 ARG 108 15.442 -0.893 -5.088 790 HG3 ARG 108 HG3 ARG 108 14.040 -1.539 -5.949 791 HD2 ARG 108 HD2 ARG 108 15.979 -0.899 -7.425 792 HD3 ARG 108 HD3 ARG 108 14.457 -0.115 -7.841 793 HE ARG 108 HE ARG 108 15.362 1.906 -7.307 794 HH11 ARG 108 HH11 ARG 108 17.547 -0.511 -6.121 795 HH12 ARG 108 HH12 ARG 108 18.731 0.663 -5.665 796 HH21 ARG 108 HH21 ARG 108 16.863 3.338 -6.717 797 HH22 ARG 108 HH22 ARG 108 18.345 2.809 -6.004 798 H TYR 109 H TYR 109 10.684 0.633 -3.727 799 HA TYR 109 HA TYR 109 11.084 3.320 -2.577 800 HB2 TYR 109 HB2 TYR 109 8.554 2.152 -3.818 801 HB3 TYR 109 HB3 TYR 109 8.890 3.853 -3.501 802 HD1 TYR 109 HD1 TYR 109 11.815 3.820 -4.578 803 HD2 TYR 109 HD2 TYR 109 8.138 2.335 -6.197 804 HE1 TYR 109 HE1 TYR 109 12.716 4.043 -6.846 805 HE2 TYR 109 HE2 TYR 109 9.053 2.554 -8.465 806 HH TYR 109 HH TYR 109 10.802 3.848 -9.605 807 H VAL 110 H VAL 110 8.880 0.555 -2.189 808 HA VAL 110 HA VAL 110 8.085 1.449 0.496 809 HB VAL 110 HB VAL 110 6.291 0.969 -1.173 810 HG11 VAL 110 HG11 VAL 110 5.742 -1.358 -1.819 811 HG12 VAL 110 HG12 VAL 110 7.223 -1.923 -1.040 812 HG13 VAL 110 HG13 VAL 110 7.316 -0.864 -2.449 813 HG21 VAL 110 HG21 VAL 110 5.792 0.774 1.212 814 HG22 VAL 110 HG22 VAL 110 6.298 -0.915 1.197 815 HG23 VAL 110 HG23 VAL 110 4.880 -0.412 0.285 816 H SER 111 H SER 111 9.932 -0.959 -1.130 817 HA SER 111 HA SER 111 11.159 -2.737 -0.575 818 HB2 SER 111 HB2 SER 111 12.112 -1.547 1.298 819 HB3 SER 111 HB3 SER 111 10.718 -1.898 2.311 820 HG SER 111 HG SER 111 12.259 -3.366 2.852 821 H LEU 112 H LEU 112 11.010 -4.897 -0.155 822 HA LEU 112 HA LEU 112 8.496 -6.112 -0.355 823 HB2 LEU 112 HB2 LEU 112 10.421 -7.130 -1.318 824 HB3 LEU 112 HB3 LEU 112 11.260 -7.160 0.204 825 HG LEU 112 HG LEU 112 8.761 -8.824 -0.001 826 HD11 LEU 112 HD11 LEU 112 11.362 -9.711 -1.281 827 HD12 LEU 112 HD12 LEU 112 9.871 -9.313 -2.137 828 HD13 LEU 112 HD13 LEU 112 9.914 -10.702 -1.052 829 HD21 LEU 112 HD21 LEU 112 9.934 -8.799 2.133 830 HD22 LEU 112 HD22 LEU 112 11.450 -9.270 1.353 831 HD23 LEU 112 HD23 LEU 112 10.093 -10.398 1.405 832 H ALA 113 H ALA 113 10.598 -5.606 2.447 833 HA ALA 113 HA ALA 113 9.492 -7.532 4.203 834 HB1 ALA 113 HB1 ALA 113 11.681 -6.457 4.542 835 HB2 ALA 113 HB2 ALA 113 10.664 -6.278 5.972 836 HB3 ALA 113 HB3 ALA 113 10.888 -4.914 4.872 837 H ASP 114 H ASP 114 8.636 -4.139 3.631 838 HA ASP 114 HA ASP 114 6.756 -3.852 5.759 839 HB2 ASP 114 HB2 ASP 114 7.045 -2.269 3.167 840 HB3 ASP 114 HB3 ASP 114 6.110 -1.764 4.574 841 H LEU 115 H LEU 115 6.523 -4.972 2.416 842 HA LEU 115 HA LEU 115 3.689 -5.005 2.095 843 HB2 LEU 115 HB2 LEU 115 5.698 -6.892 0.811 844 HB3 LEU 115 HB3 LEU 115 4.092 -6.504 0.215 845 HG LEU 115 HG LEU 115 6.427 -4.555 0.312 846 HD11 LEU 115 HD11 LEU 115 5.304 -6.099 -2.046 847 HD12 LEU 115 HD12 LEU 115 6.871 -6.359 -1.271 848 HD13 LEU 115 HD13 LEU 115 6.555 -4.850 -2.124 849 HD21 LEU 115 HD21 LEU 115 4.277 -3.418 0.430 850 HD22 LEU 115 HD22 LEU 115 3.709 -4.290 -0.997 851 HD23 LEU 115 HD23 LEU 115 5.049 -3.149 -1.130 852 H GLN 116 H GLN 116 6.054 -7.517 2.865 853 HA GLN 116 HA GLN 116 4.248 -9.682 3.186 854 HB2 GLN 116 HB2 GLN 116 7.141 -9.448 4.103 855 HB3 GLN 116 HB3 GLN 116 6.243 -10.940 3.873 856 HG2 GLN 116 HG2 GLN 116 5.960 -9.835 1.398 857 HG3 GLN 116 HG3 GLN 116 7.500 -9.145 1.864 858 HE21 GLN 116 HE21 GLN 116 6.880 -11.090 -0.240 859 HE22 GLN 116 HE22 GLN 116 7.878 -12.456 0.082 860 H ALA 117 H ALA 117 5.534 -7.349 5.430 861 HA ALA 117 HA ALA 117 5.034 -8.595 7.903 862 HB1 ALA 117 HB1 ALA 117 6.311 -6.508 7.669 863 HB2 ALA 117 HB2 ALA 117 5.018 -6.334 8.861 864 HB3 ALA 117 HB3 ALA 117 4.833 -5.642 7.245 865 H HIS 118 H HIS 118 2.707 -7.224 5.642 866 HA HIS 118 HA HIS 118 0.504 -7.835 7.548 867 HB2 HIS 118 HB2 HIS 118 0.812 -5.563 5.613 868 HB3 HIS 118 HB3 HIS 118 -0.805 -6.241 5.770 869 HD1 HIS 118 HD1 HIS 118 1.920 -4.853 8.042 870 HD2 HIS 118 HD2 HIS 118 -2.207 -5.270 7.874 871 HE1 HIS 118 HE1 HIS 118 1.042 -3.652 10.058 872 HE2 HIS 118 HE2 HIS 118 -1.452 -3.915 9.940 873 H ALA 119 H ALA 119 1.861 -8.644 4.460 874 HA ALA 119 HA ALA 119 -0.440 -10.201 3.578 875 HB1 ALA 119 HB1 ALA 119 2.434 -10.209 2.597 876 HB2 ALA 119 HB2 ALA 119 1.105 -9.261 1.926 877 HB3 ALA 119 HB3 ALA 119 1.075 -11.022 1.811 878 H LEU 120 H LEU 120 -0.017 -12.672 3.141 879 HA LEU 120 HA LEU 120 0.236 -13.870 5.704 880 HB2 LEU 120 HB2 LEU 120 -1.229 -14.545 3.592 881 HB3 LEU 120 HB3 LEU 120 0.142 -15.551 3.216 882 HG LEU 120 HG LEU 120 -1.878 -15.830 5.446 883 HD11 LEU 120 HD11 LEU 120 -2.002 -18.148 4.624 884 HD12 LEU 120 HD12 LEU 120 -0.760 -17.782 3.417 885 HD13 LEU 120 HD13 LEU 120 -2.328 -16.968 3.352 886 HD21 LEU 120 HD21 LEU 120 0.832 -17.199 5.500 887 HD22 LEU 120 HD22 LEU 120 -0.540 -17.587 6.542 888 HD23 LEU 120 HD23 LEU 120 0.236 -16.010 6.660 889 HA PRO 121 HA PRO 121 4.195 -16.148 4.296 890 HB2 PRO 121 HB2 PRO 121 5.077 -16.213 1.771 891 HB3 PRO 121 HB3 PRO 121 3.574 -17.029 2.207 892 HG2 PRO 121 HG2 PRO 121 3.957 -14.368 0.845 893 HG3 PRO 121 HG3 PRO 121 2.788 -15.652 0.478 894 HD2 PRO 121 HD2 PRO 121 2.241 -13.374 2.062 895 HD3 PRO 121 HD3 PRO 121 1.292 -14.870 2.030 896 H VAL 122 H VAL 122 5.075 -14.401 5.693 897 HA VAL 122 HA VAL 122 6.799 -12.404 4.503 898 HB VAL 122 HB VAL 122 5.731 -11.850 6.609 899 HG11 VAL 122 HG11 VAL 122 5.482 -14.075 7.610 900 HG12 VAL 122 HG12 VAL 122 6.257 -12.978 8.755 901 HG13 VAL 122 HG13 VAL 122 7.225 -14.172 7.886 902 HG21 VAL 122 HG21 VAL 122 8.736 -12.134 7.017 903 HG22 VAL 122 HG22 VAL 122 7.678 -11.041 7.913 904 HG23 VAL 122 HG23 VAL 122 7.923 -10.807 6.182 905 H LEU 123 H LEU 123 9.014 -12.462 4.258 906 HA LEU 123 HA LEU 123 10.524 -14.909 4.888 907 HB2 LEU 123 HB2 LEU 123 9.320 -14.689 2.453 908 HB3 LEU 123 HB3 LEU 123 10.792 -13.810 2.089 909 HG LEU 123 HG LEU 123 10.708 -16.674 3.122 910 HD11 LEU 123 HD11 LEU 123 9.691 -16.551 0.903 911 HD12 LEU 123 HD12 LEU 123 11.246 -17.375 0.830 912 HD13 LEU 123 HD13 LEU 123 11.110 -15.703 0.276 913 HD21 LEU 123 HD21 LEU 123 13.079 -16.796 2.435 914 HD22 LEU 123 HD22 LEU 123 12.831 -15.570 3.676 915 HD23 LEU 123 HD23 LEU 123 13.045 -15.087 1.990 916 H GLU 124 H GLU 124 12.681 -14.518 5.301 917 HA GLU 124 HA GLU 124 13.492 -11.818 5.923 918 HB2 GLU 124 HB2 GLU 124 15.041 -14.431 6.132 919 HB3 GLU 124 HB3 GLU 124 15.517 -12.900 6.866 920 HG2 GLU 124 HG2 GLU 124 13.607 -12.949 8.351 921 HG3 GLU 124 HG3 GLU 124 12.949 -14.369 7.539 922 H HIS 125 H HIS 125 14.980 -10.537 4.950 923 HA HIS 125 HA HIS 125 16.639 -11.523 2.695 924 HB2 HIS 125 HB2 HIS 125 15.001 -8.954 2.823 925 HB3 HIS 125 HB3 HIS 125 16.332 -9.160 1.691 926 HD1 HIS 125 HD1 HIS 125 15.575 -9.850 -0.542 927 HD2 HIS 125 HD2 HIS 125 13.009 -11.249 2.407 928 HE1 HIS 125 HE1 HIS 125 13.739 -11.049 -1.763 929 HE2 HIS 125 HE2 HIS 125 12.320 -12.054 0.050 930 H HIS 126 H HIS 126 18.322 -9.618 2.180 931 HA HIS 126 HA HIS 126 19.716 -8.937 4.704 932 HB2 HIS 126 HB2 HIS 126 20.799 -9.313 1.878 933 HB3 HIS 126 HB3 HIS 126 21.775 -8.852 3.270 934 HD1 HIS 126 HD1 HIS 126 20.547 -11.768 1.471 935 HD2 HIS 126 HD2 HIS 126 21.873 -10.963 5.325 936 HE1 HIS 126 HE1 HIS 126 21.105 -13.997 2.472 937 HE2 HIS 126 HE2 HIS 126 22.057 -13.473 4.731 938 H HIS 127 H HIS 127 21.533 -7.046 3.689 939 HA HIS 127 HA HIS 127 20.043 -4.661 4.083 940 HB2 HIS 127 HB2 HIS 127 22.515 -5.225 4.700 941 HB3 HIS 127 HB3 HIS 127 22.908 -4.735 3.061 942 HD1 HIS 127 HD1 HIS 127 22.894 -3.436 6.330 943 HD2 HIS 127 HD2 HIS 127 21.739 -1.878 2.653 944 HE1 HIS 127 HE1 HIS 127 22.891 -0.949 6.627 945 HE2 HIS 127 HE2 HIS 127 21.994 -0.050 4.463 946 H HIS 128 H HIS 128 19.266 -3.156 2.678 947 HA HIS 128 HA HIS 128 20.021 -3.228 -0.192 948 HB2 HIS 128 HB2 HIS 128 17.652 -2.619 -0.764 949 HB3 HIS 128 HB3 HIS 128 17.787 -4.208 -0.018 950 HD1 HIS 128 HD1 HIS 128 16.515 -0.735 0.647 951 HD2 HIS 128 HD2 HIS 128 16.477 -4.479 2.451 952 HE1 HIS 128 HE1 HIS 128 14.912 -0.541 2.561 953 HE2 HIS 128 HE2 HIS 128 15.078 -2.739 3.754 954 H HIS 129 H HIS 129 20.258 -1.228 -1.200 955 HA HIS 129 HA HIS 129 19.625 1.317 -0.073 956 HB2 HIS 129 HB2 HIS 129 21.484 0.591 1.481 957 HB3 HIS 129 HB3 HIS 129 22.567 0.484 0.103 958 HD1 HIS 129 HD1 HIS 129 20.488 3.082 1.933 959 HD2 HIS 129 HD2 HIS 129 23.921 2.823 -0.399 960 HE1 HIS 129 HE1 HIS 129 21.460 5.392 1.908 961 HE2 HIS 129 HE2 HIS 129 23.524 5.222 0.485 962 H HIS 130 H HIS 130 20.563 3.118 -1.387 963 HA HIS 130 HA HIS 130 21.370 4.218 -3.172 964 HB2 HIS 130 HB2 HIS 130 23.399 2.844 -3.071 965 HB3 HIS 130 HB3 HIS 130 22.619 1.562 -3.985 966 HD1 HIS 130 HD1 HIS 130 22.099 2.139 -6.560 967 HD2 HIS 130 HD2 HIS 130 24.650 4.774 -4.606 968 HE1 HIS 130 HE1 HIS 130 23.254 3.425 -8.377 969 HE2 HIS 130 HE2 HIS 130 24.635 5.140 -7.168 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -12.653 -38.295 -16.836 2 H2 MET 1 H2 MET 1 -11.855 -37.658 -18.181 3 H3 MET 1 H3 MET 1 -13.515 -37.417 -17.999 4 HA MET 1 HA MET 1 -12.243 -35.425 -17.463 5 HB2 MET 1 HB2 MET 1 -13.650 -36.714 -15.083 6 HB3 MET 1 HB3 MET 1 -13.271 -35.000 -15.209 7 HG2 MET 1 HG2 MET 1 -14.753 -34.809 -17.161 8 HG3 MET 1 HG3 MET 1 -15.139 -36.528 -17.046 9 HE1 MET 1 HE1 MET 1 -15.344 -36.886 -13.803 10 HE2 MET 1 HE2 MET 1 -16.476 -37.602 -14.953 11 HE3 MET 1 HE3 MET 1 -17.077 -36.650 -13.595 12 H GLY 2 H GLY 2 -11.353 -34.549 -15.058 13 HA2 GLY 2 HA2 GLY 2 -9.645 -34.554 -13.507 14 HA3 GLY 2 HA3 GLY 2 -9.269 -36.218 -13.931 15 H GLN 3 H GLN 3 -7.024 -35.524 -13.749 16 HA GLN 3 HA GLN 3 -5.792 -34.921 -16.244 17 HB2 GLN 3 HB2 GLN 3 -4.671 -32.802 -15.671 18 HB3 GLN 3 HB3 GLN 3 -6.418 -32.586 -15.631 19 HG2 GLN 3 HG2 GLN 3 -6.411 -32.679 -13.187 20 HG3 GLN 3 HG3 GLN 3 -4.680 -33.011 -13.174 21 HE21 GLN 3 HE21 GLN 3 -3.240 -31.334 -13.712 22 HE22 GLN 3 HE22 GLN 3 -3.722 -29.675 -13.660 23 H GLY 4 H GLY 4 -3.302 -34.467 -15.808 24 HA2 GLY 4 HA2 GLY 4 -2.335 -35.962 -13.416 25 HA3 GLY 4 HA3 GLY 4 -1.604 -36.131 -15.006 26 H GLN 5 H GLN 5 0.415 -35.497 -14.007 27 HA GLN 5 HA GLN 5 0.746 -32.729 -13.125 28 HB2 GLN 5 HB2 GLN 5 2.620 -35.119 -13.281 29 HB3 GLN 5 HB3 GLN 5 3.244 -33.506 -12.974 30 HG2 GLN 5 HG2 GLN 5 3.018 -34.702 -10.881 31 HG3 GLN 5 HG3 GLN 5 1.874 -33.363 -10.923 32 HE21 GLN 5 HE21 GLN 5 2.226 -36.834 -10.944 33 HE22 GLN 5 HE22 GLN 5 0.565 -37.197 -10.629 34 H ASN 6 H ASN 6 1.490 -31.106 -14.389 35 HA ASN 6 HA ASN 6 2.353 -31.705 -17.166 36 HB2 ASN 6 HB2 ASN 6 1.103 -29.680 -17.887 37 HB3 ASN 6 HB3 ASN 6 0.046 -30.898 -17.185 38 HD21 ASN 6 HD21 ASN 6 -0.829 -30.511 -15.084 39 HD22 ASN 6 HD22 ASN 6 -0.927 -28.909 -14.448 40 H VAL 7 H VAL 7 3.009 -29.172 -18.021 41 HA VAL 7 HA VAL 7 5.635 -28.935 -16.773 42 HB VAL 7 HB VAL 7 4.634 -27.817 -19.439 43 HG11 VAL 7 HG11 VAL 7 7.009 -27.864 -20.110 44 HG12 VAL 7 HG12 VAL 7 7.456 -28.428 -18.499 45 HG13 VAL 7 HG13 VAL 7 6.751 -26.827 -18.708 46 HG21 VAL 7 HG21 VAL 7 5.931 -30.533 -18.938 47 HG22 VAL 7 HG22 VAL 7 5.554 -29.848 -20.523 48 HG23 VAL 7 HG23 VAL 7 4.250 -30.252 -19.406 49 H LEU 8 H LEU 8 3.383 -27.676 -15.404 50 HA LEU 8 HA LEU 8 3.476 -24.822 -15.826 51 HB2 LEU 8 HB2 LEU 8 1.862 -24.615 -14.162 52 HB3 LEU 8 HB3 LEU 8 1.466 -26.091 -15.019 53 HG LEU 8 HG LEU 8 2.788 -25.946 -12.273 54 HD11 LEU 8 HD11 LEU 8 0.634 -26.727 -11.436 55 HD12 LEU 8 HD12 LEU 8 -0.024 -26.661 -13.076 56 HD13 LEU 8 HD13 LEU 8 0.497 -25.178 -12.272 57 HD21 LEU 8 HD21 LEU 8 3.471 -28.007 -13.441 58 HD22 LEU 8 HD22 LEU 8 1.782 -28.409 -13.753 59 HD23 LEU 8 HD23 LEU 8 2.390 -28.363 -12.095 60 H GLY 9 H GLY 9 5.556 -26.971 -14.211 61 HA2 GLY 9 HA2 GLY 9 6.483 -24.900 -12.262 62 HA3 GLY 9 HA3 GLY 9 6.351 -26.600 -11.860 63 H GLN 10 H GLN 10 7.963 -24.448 -14.209 64 HA GLN 10 HA GLN 10 10.552 -25.756 -13.726 65 HB2 GLN 10 HB2 GLN 10 11.008 -25.960 -16.170 66 HB3 GLN 10 HB3 GLN 10 9.667 -26.986 -15.670 67 HG2 GLN 10 HG2 GLN 10 8.063 -25.630 -16.737 68 HG3 GLN 10 HG3 GLN 10 9.146 -24.245 -16.831 69 HE21 GLN 10 HE21 GLN 10 8.766 -24.024 -19.063 70 HE22 GLN 10 HE22 GLN 10 9.427 -25.119 -20.225 71 H ASP 11 H ASP 11 12.137 -24.492 -15.495 72 HA ASP 11 HA ASP 11 13.127 -22.654 -16.317 73 HB2 ASP 11 HB2 ASP 11 10.689 -22.262 -17.181 74 HB3 ASP 11 HB3 ASP 11 10.581 -21.034 -15.928 75 H LEU 12 H LEU 12 13.365 -20.029 -15.665 76 HA LEU 12 HA LEU 12 14.719 -20.027 -13.184 77 HB2 LEU 12 HB2 LEU 12 13.804 -17.661 -14.876 78 HB3 LEU 12 HB3 LEU 12 14.990 -17.582 -13.578 79 HG LEU 12 HG LEU 12 15.330 -19.111 -16.194 80 HD11 LEU 12 HD11 LEU 12 16.655 -16.542 -15.266 81 HD12 LEU 12 HD12 LEU 12 15.418 -16.687 -16.520 82 HD13 LEU 12 HD13 LEU 12 17.001 -17.420 -16.760 83 HD21 LEU 12 HD21 LEU 12 17.672 -19.463 -15.460 84 HD22 LEU 12 HD22 LEU 12 16.516 -20.256 -14.396 85 HD23 LEU 12 HD23 LEU 12 17.285 -18.748 -13.891 86 H GLU 13 H GLU 13 14.000 -19.723 -11.185 87 HA GLU 13 HA GLU 13 11.304 -18.665 -10.591 88 HB2 GLU 13 HB2 GLU 13 11.548 -19.672 -8.398 89 HB3 GLU 13 HB3 GLU 13 12.040 -20.860 -9.592 90 HG2 GLU 13 HG2 GLU 13 13.902 -19.224 -7.821 91 HG3 GLU 13 HG3 GLU 13 13.468 -20.913 -7.581 92 H VAL 14 H VAL 14 11.934 -17.704 -7.905 93 HA VAL 14 HA VAL 14 13.424 -15.236 -8.410 94 HB VAL 14 HB VAL 14 11.377 -15.051 -7.085 95 HG11 VAL 14 HG11 VAL 14 12.645 -16.959 -5.086 96 HG12 VAL 14 HG12 VAL 14 11.253 -17.299 -6.117 97 HG13 VAL 14 HG13 VAL 14 11.128 -16.087 -4.839 98 HG21 VAL 14 HG21 VAL 14 13.165 -13.451 -6.517 99 HG22 VAL 14 HG22 VAL 14 13.811 -14.573 -5.315 100 HG23 VAL 14 HG23 VAL 14 12.215 -13.856 -5.084 101 H CYS 15 H CYS 15 15.595 -15.051 -8.029 102 HA CYS 15 HA CYS 15 16.857 -16.639 -5.843 103 HB2 CYS 15 HB2 CYS 15 17.703 -17.323 -8.075 104 HB3 CYS 15 HB3 CYS 15 18.176 -15.662 -8.418 105 HG CYS 15 HG CYS 15 20.077 -15.634 -6.276 106 H CYS 16 H CYS 16 15.625 -13.748 -6.282 107 HA CYS 16 HA CYS 16 17.709 -11.891 -5.658 108 HB2 CYS 16 HB2 CYS 16 15.633 -11.110 -6.691 109 HB3 CYS 16 HB3 CYS 16 14.692 -11.662 -5.308 110 HG CYS 16 HG CYS 16 15.552 -9.756 -3.561 111 H CYS 17 H CYS 17 18.336 -11.026 -3.716 112 HA CYS 17 HA CYS 17 18.984 -10.990 -1.561 113 HB2 CYS 17 HB2 CYS 17 16.131 -11.890 -0.986 114 HB3 CYS 17 HB3 CYS 17 17.247 -11.232 0.209 115 HG CYS 17 HG CYS 17 15.602 -9.142 -0.222 116 H ALA 18 H ALA 18 20.026 -13.017 -2.792 117 HA ALA 18 HA ALA 18 21.263 -14.866 -2.509 118 HB1 ALA 18 HB1 ALA 18 20.053 -15.105 0.272 119 HB2 ALA 18 HB2 ALA 18 21.519 -14.212 -0.139 120 HB3 ALA 18 HB3 ALA 18 21.479 -15.966 -0.326 121 HA PRO 19 HA PRO 19 18.896 -18.643 -3.702 122 HB2 PRO 19 HB2 PRO 19 20.819 -19.945 -1.755 123 HB3 PRO 19 HB3 PRO 19 20.302 -20.499 -3.357 124 HG2 PRO 19 HG2 PRO 19 22.660 -19.327 -3.095 125 HG3 PRO 19 HG3 PRO 19 21.624 -18.899 -4.474 126 HD2 PRO 19 HD2 PRO 19 22.182 -17.335 -1.968 127 HD3 PRO 19 HD3 PRO 19 21.927 -16.757 -3.629 128 H MET 20 H MET 20 19.011 -17.480 -0.445 129 HA MET 20 HA MET 20 17.280 -19.402 0.799 130 HB2 MET 20 HB2 MET 20 18.936 -17.765 1.921 131 HB3 MET 20 HB3 MET 20 17.737 -16.511 1.656 132 HG2 MET 20 HG2 MET 20 16.125 -17.822 3.039 133 HG3 MET 20 HG3 MET 20 17.408 -18.991 3.365 134 HE1 MET 20 HE1 MET 20 19.808 -18.161 4.559 135 HE2 MET 20 HE2 MET 20 20.001 -16.552 5.254 136 HE3 MET 20 HE3 MET 20 19.906 -16.749 3.505 137 H THR 21 H THR 21 15.815 -19.350 -1.192 138 HA THR 21 HA THR 21 13.619 -17.370 -0.967 139 HB THR 21 HB THR 21 13.438 -17.414 -3.493 140 HG1 THR 21 HG1 THR 21 15.434 -18.135 -4.580 141 HG21 THR 21 HG21 THR 21 15.334 -15.902 -3.983 142 HG22 THR 21 HG22 THR 21 16.087 -16.360 -2.453 143 HG23 THR 21 HG23 THR 21 14.553 -15.492 -2.453 144 H GLY 22 H GLY 22 11.576 -18.125 -1.676 145 HA2 GLY 22 HA2 GLY 22 11.197 -21.044 -1.806 146 HA3 GLY 22 HA3 GLY 22 9.946 -19.818 -1.620 147 H TRP 23 H TRP 23 8.815 -19.210 -3.402 148 HA TRP 23 HA TRP 23 9.945 -19.363 -6.080 149 HB2 TRP 23 HB2 TRP 23 9.055 -21.674 -5.707 150 HB3 TRP 23 HB3 TRP 23 7.462 -21.002 -5.374 151 HD1 TRP 23 HD1 TRP 23 9.975 -21.370 -8.314 152 HE1 TRP 23 HE1 TRP 23 8.658 -21.311 -10.519 153 HE3 TRP 23 HE3 TRP 23 5.312 -20.316 -6.462 154 HZ2 TRP 23 HZ2 TRP 23 6.004 -20.881 -11.376 155 HZ3 TRP 23 HZ3 TRP 23 3.437 -20.094 -8.047 156 HH2 TRP 23 HH2 TRP 23 3.778 -20.370 -10.452 157 H TYR 24 H TYR 24 9.511 -17.357 -6.750 158 HA TYR 24 HA TYR 24 6.783 -16.231 -6.531 159 HB2 TYR 24 HB2 TYR 24 9.407 -14.817 -5.882 160 HB3 TYR 24 HB3 TYR 24 7.937 -13.926 -6.262 161 HD1 TYR 24 HD2 TYR 24 9.582 -16.095 -3.728 162 HD2 TYR 24 HD1 TYR 24 6.099 -13.790 -4.655 163 HE1 TYR 24 HE2 TYR 24 8.870 -16.213 -1.377 164 HE2 TYR 24 HE1 TYR 24 5.394 -13.903 -2.302 165 HH TYR 24 HH TYR 24 5.772 -15.381 -0.317 166 H ARG 25 H ARG 25 6.110 -14.972 -8.243 167 HA ARG 25 HA ARG 25 7.341 -15.408 -10.809 168 HB2 ARG 25 HB2 ARG 25 5.406 -14.137 -11.700 169 HB3 ARG 25 HB3 ARG 25 4.900 -15.391 -10.576 170 HG2 ARG 25 HG2 ARG 25 4.627 -13.659 -8.802 171 HG3 ARG 25 HG3 ARG 25 5.071 -12.417 -9.973 172 HD2 ARG 25 HD2 ARG 25 2.656 -12.489 -9.726 173 HD3 ARG 25 HD3 ARG 25 3.092 -13.042 -11.345 174 HE ARG 25 HE ARG 25 2.921 -15.359 -9.976 175 HH11 ARG 25 HH11 ARG 25 0.698 -12.703 -10.117 176 HH12 ARG 25 HH12 ARG 25 -0.682 -13.736 -9.998 177 HH21 ARG 25 HH21 ARG 25 1.138 -16.630 -9.779 178 HH22 ARG 25 HH22 ARG 25 -0.435 -15.918 -9.812 179 H ASN 26 H ASN 26 8.960 -14.228 -11.635 180 HA ASN 26 HA ASN 26 10.265 -12.533 -12.360 181 HB2 ASN 26 HB2 ASN 26 8.105 -11.498 -13.041 182 HB3 ASN 26 HB3 ASN 26 7.989 -10.707 -11.476 183 HD21 ASN 26 HD21 ASN 26 10.811 -11.048 -13.645 184 HD22 ASN 26 HD22 ASN 26 11.034 -9.353 -13.861 185 H GLY 27 H GLY 27 9.778 -13.024 -9.133 186 HA2 GLY 27 HA2 GLY 27 10.360 -10.680 -7.738 187 HA3 GLY 27 HA3 GLY 27 10.671 -12.298 -7.144 188 H PHE 28 H PHE 28 12.632 -12.745 -9.401 189 HA PHE 28 HA PHE 28 15.036 -11.751 -8.192 190 HB2 PHE 28 HB2 PHE 28 15.000 -13.919 -9.315 191 HB3 PHE 28 HB3 PHE 28 14.534 -13.169 -10.836 192 HD1 PHE 28 HD2 PHE 28 17.294 -13.175 -8.296 193 HD2 PHE 28 HD1 PHE 28 16.215 -12.583 -12.392 194 HE1 PHE 28 HE2 PHE 28 19.664 -12.939 -8.892 195 HE2 PHE 28 HE1 PHE 28 18.590 -12.341 -12.978 196 HZ PHE 28 HZ PHE 28 20.314 -12.520 -11.230 197 H CYS 29 H CYS 29 13.404 -11.010 -11.304 198 HA CYS 29 HA CYS 29 15.129 -8.662 -11.774 199 HB2 CYS 29 HB2 CYS 29 13.062 -9.982 -13.593 200 HB3 CYS 29 HB3 CYS 29 14.138 -8.660 -14.048 201 HG CYS 29 HG CYS 29 14.651 -11.818 -14.376 202 H GLN 30 H GLN 30 13.739 -6.854 -13.055 203 HA GLN 30 HA GLN 30 11.113 -6.372 -11.766 204 HB2 GLN 30 HB2 GLN 30 11.671 -3.867 -11.927 205 HB3 GLN 30 HB3 GLN 30 12.526 -4.775 -10.686 206 HG2 GLN 30 HG2 GLN 30 14.549 -4.821 -12.032 207 HG3 GLN 30 HG3 GLN 30 13.712 -4.077 -13.391 208 HE21 GLN 30 HE21 GLN 30 12.335 -2.040 -11.965 209 HE22 GLN 30 HE22 GLN 30 13.507 -0.917 -11.385 210 H THR 31 H THR 31 9.491 -6.176 -13.244 211 HA THR 31 HA THR 31 10.107 -5.922 -16.093 212 HB THR 31 HB THR 31 7.370 -6.236 -14.780 213 HG1 THR 31 HG1 THR 31 8.869 -8.030 -14.514 214 HG21 THR 31 HG21 THR 31 6.619 -6.952 -17.027 215 HG22 THR 31 HG22 THR 31 8.230 -6.628 -17.671 216 HG23 THR 31 HG23 THR 31 7.236 -5.297 -17.073 217 H ASP 32 H ASP 32 10.729 -3.859 -16.494 218 HA ASP 32 HA ASP 32 9.165 -1.547 -15.583 219 HB2 ASP 32 HB2 ASP 32 11.754 -1.639 -17.189 220 HB3 ASP 32 HB3 ASP 32 11.075 -0.234 -16.369 221 H VAL 33 H VAL 33 7.972 -3.331 -17.571 222 HA VAL 33 HA VAL 33 6.908 -3.448 -19.559 223 HB VAL 33 HB VAL 33 7.224 -0.417 -19.664 224 HG11 VAL 33 HG11 VAL 33 5.275 -2.194 -21.195 225 HG12 VAL 33 HG12 VAL 33 6.639 -1.308 -21.881 226 HG13 VAL 33 HG13 VAL 33 5.274 -0.425 -21.200 227 HG21 VAL 33 HG21 VAL 33 6.068 -1.141 -17.611 228 HG22 VAL 33 HG22 VAL 33 4.914 -2.076 -18.568 229 HG23 VAL 33 HG23 VAL 33 4.950 -0.315 -18.698 230 H GLN 34 H GLN 34 9.088 -0.737 -20.444 231 HA GLN 34 HA GLN 34 10.879 -2.463 -22.014 232 HB2 GLN 34 HB2 GLN 34 10.599 -1.071 -24.079 233 HB3 GLN 34 HB3 GLN 34 9.156 -1.991 -23.668 234 HG2 GLN 34 HG2 GLN 34 8.079 0.002 -22.774 235 HG3 GLN 34 HG3 GLN 34 9.546 0.949 -23.026 236 HE21 GLN 34 HE21 GLN 34 6.813 1.320 -24.128 237 HE22 GLN 34 HE22 GLN 34 7.027 1.372 -25.839 238 H ASP 35 H ASP 35 10.426 0.036 -19.937 239 HA ASP 35 HA ASP 35 12.158 2.096 -20.856 240 HB2 ASP 35 HB2 ASP 35 11.010 1.523 -18.087 241 HB3 ASP 35 HB3 ASP 35 11.818 3.023 -18.555 242 H ARG 36 H ARG 36 12.653 -0.726 -18.803 243 HA ARG 36 HA ARG 36 14.458 -1.794 -17.978 244 HB2 ARG 36 HB2 ARG 36 16.137 -0.096 -19.868 245 HB3 ARG 36 HB3 ARG 36 16.613 -1.620 -19.122 246 HG2 ARG 36 HG2 ARG 36 14.918 -2.821 -20.447 247 HG3 ARG 36 HG3 ARG 36 14.373 -1.294 -21.157 248 HD2 ARG 36 HD2 ARG 36 16.686 -0.989 -22.106 249 HD3 ARG 36 HD3 ARG 36 17.099 -2.601 -21.497 250 HE ARG 36 HE ARG 36 14.780 -2.432 -23.264 251 HH11 ARG 36 HH11 ARG 36 18.165 -3.187 -23.032 252 HH12 ARG 36 HH12 ARG 36 18.185 -3.990 -24.559 253 HH21 ARG 36 HH21 ARG 36 14.855 -3.458 -25.204 254 HH22 ARG 36 HH22 ARG 36 16.346 -4.119 -25.783 255 H GLY 37 H GLY 37 14.628 -1.249 -15.850 256 HA2 GLY 37 HA2 GLY 37 15.591 -0.328 -13.954 257 HA3 GLY 37 HA3 GLY 37 16.566 0.724 -14.964 258 H SER 38 H SER 38 13.206 0.235 -13.897 259 HA SER 38 HA SER 38 12.803 3.154 -13.601 260 HB2 SER 38 HB2 SER 38 11.847 2.436 -15.802 261 HB3 SER 38 HB3 SER 38 10.858 1.240 -14.969 262 HG SER 38 HG SER 38 10.046 3.537 -15.537 263 H HIS 39 H HIS 39 10.156 3.103 -12.674 264 HA HIS 39 HA HIS 39 9.980 1.107 -10.527 265 HB2 HIS 39 HB2 HIS 39 9.596 2.820 -8.774 266 HB3 HIS 39 HB3 HIS 39 11.208 2.951 -9.455 267 HD1 HIS 39 HD1 HIS 39 11.249 4.879 -11.536 268 HD2 HIS 39 HD2 HIS 39 8.415 5.254 -8.517 269 HE1 HIS 39 HE1 HIS 39 10.521 7.280 -11.593 270 HE2 HIS 39 HE2 HIS 39 8.762 7.469 -9.803 271 H THR 40 H THR 40 7.993 0.316 -10.456 272 HA THR 40 HA THR 40 5.625 2.028 -10.804 273 HB THR 40 HB THR 40 5.717 1.027 -12.992 274 HG1 THR 40 HG1 THR 40 3.791 -0.220 -12.987 275 HG21 THR 40 HG21 THR 40 5.844 -1.375 -13.445 276 HG22 THR 40 HG22 THR 40 6.028 -1.698 -11.722 277 HG23 THR 40 HG23 THR 40 7.286 -0.817 -12.591 278 H VAL 41 H VAL 41 3.995 1.546 -9.384 279 HA VAL 41 HA VAL 41 4.423 -0.717 -7.502 280 HB VAL 41 HB VAL 41 3.299 2.025 -6.780 281 HG11 VAL 41 HG11 VAL 41 4.102 -0.301 -4.978 282 HG12 VAL 41 HG12 VAL 41 2.448 0.206 -5.333 283 HG13 VAL 41 HG13 VAL 41 3.522 1.275 -4.429 284 HG21 VAL 41 HG21 VAL 41 5.423 2.491 -5.642 285 HG22 VAL 41 HG22 VAL 41 5.708 2.196 -7.356 286 HG23 VAL 41 HG23 VAL 41 6.077 0.941 -6.171 287 H CYS 42 H CYS 42 2.869 -2.163 -7.939 288 HA CYS 42 HA CYS 42 0.063 -1.281 -8.346 289 HB2 CYS 42 HB2 CYS 42 1.383 -3.987 -8.867 290 HB3 CYS 42 HB3 CYS 42 -0.310 -3.604 -9.175 291 HG CYS 42 HG CYS 42 2.358 -2.144 -10.750 292 H ALA 43 H ALA 43 -0.949 -1.126 -6.435 293 HA ALA 43 HA ALA 43 -0.855 -3.304 -4.465 294 HB1 ALA 43 HB1 ALA 43 0.864 -1.706 -3.697 295 HB2 ALA 43 HB2 ALA 43 -0.514 -1.712 -2.597 296 HB3 ALA 43 HB3 ALA 43 -0.315 -0.394 -3.754 297 H GLU 44 H GLU 44 -2.721 -3.255 -3.035 298 HA GLU 44 HA GLU 44 -5.004 -1.730 -4.151 299 HB2 GLU 44 HB2 GLU 44 -4.750 -4.168 -4.967 300 HB3 GLU 44 HB3 GLU 44 -5.180 -4.658 -3.330 301 HG2 GLU 44 HG2 GLU 44 -7.327 -3.567 -3.523 302 HG3 GLU 44 HG3 GLU 44 -6.867 -2.876 -5.083 303 H MET 45 H MET 45 -5.887 -0.527 -2.589 304 HA MET 45 HA MET 45 -5.407 -1.175 0.253 305 HB2 MET 45 HB2 MET 45 -6.448 1.468 -0.845 306 HB3 MET 45 HB3 MET 45 -5.690 1.158 0.720 307 HG2 MET 45 HG2 MET 45 -4.346 1.132 -1.995 308 HG3 MET 45 HG3 MET 45 -4.116 2.316 -0.708 309 HE1 MET 45 HE1 MET 45 -2.010 0.383 1.902 310 HE2 MET 45 HE2 MET 45 -3.739 0.726 1.903 311 HE3 MET 45 HE3 MET 45 -2.596 1.962 1.376 312 H THR 46 H THR 46 -7.075 -1.039 1.831 313 HA THR 46 HA THR 46 -9.787 -1.715 0.923 314 HB THR 46 HB THR 46 -8.906 -3.110 2.730 315 HG1 THR 46 HG1 THR 46 -11.054 -2.932 3.009 316 HG21 THR 46 HG21 THR 46 -7.328 -1.499 3.761 317 HG22 THR 46 HG22 THR 46 -8.378 -2.246 4.964 318 HG23 THR 46 HG23 THR 46 -8.694 -0.596 4.424 319 H GLU 47 H GLU 47 -11.681 -0.638 1.878 320 HA GLU 47 HA GLU 47 -11.775 2.105 1.404 321 HB2 GLU 47 HB2 GLU 47 -13.757 0.592 1.391 322 HB3 GLU 47 HB3 GLU 47 -13.681 0.491 3.147 323 HG2 GLU 47 HG2 GLU 47 -14.096 2.957 3.276 324 HG3 GLU 47 HG3 GLU 47 -14.245 2.989 1.515 325 H GLU 48 H GLU 48 -11.208 0.413 4.419 326 HA GLU 48 HA GLU 48 -11.411 2.361 6.378 327 HB2 GLU 48 HB2 GLU 48 -9.185 0.287 6.179 328 HB3 GLU 48 HB3 GLU 48 -9.775 1.055 7.655 329 HG2 GLU 48 HG2 GLU 48 -11.944 -0.087 7.371 330 HG3 GLU 48 HG3 GLU 48 -11.365 -0.836 5.886 331 H PHE 49 H PHE 49 -8.608 1.722 4.240 332 HA PHE 49 HA PHE 49 -7.006 3.876 5.246 333 HB2 PHE 49 HB2 PHE 49 -5.916 1.933 4.238 334 HB3 PHE 49 HB3 PHE 49 -6.687 2.260 2.687 335 HD1 PHE 49 HD2 PHE 49 -4.431 3.886 5.220 336 HD2 PHE 49 HD1 PHE 49 -5.516 3.581 1.090 337 HE1 PHE 49 HE2 PHE 49 -2.606 5.414 4.621 338 HE2 PHE 49 HE1 PHE 49 -3.692 5.117 0.506 339 HZ PHE 49 HZ PHE 49 -2.235 6.034 2.268 340 H LEU 50 H LEU 50 -9.018 3.527 2.238 341 HA LEU 50 HA LEU 50 -8.124 6.016 1.150 342 HB2 LEU 50 HB2 LEU 50 -10.637 4.450 0.472 343 HB3 LEU 50 HB3 LEU 50 -10.092 5.865 -0.398 344 HG LEU 50 HG LEU 50 -9.371 4.155 -1.783 345 HD11 LEU 50 HD11 LEU 50 -7.489 5.654 -1.342 346 HD12 LEU 50 HD12 LEU 50 -6.949 4.016 -1.714 347 HD13 LEU 50 HD13 LEU 50 -6.933 4.587 -0.044 348 HD21 LEU 50 HD21 LEU 50 -8.369 2.048 -1.103 349 HD22 LEU 50 HD22 LEU 50 -9.938 2.281 -0.339 350 HD23 LEU 50 HD23 LEU 50 -8.459 2.528 0.595 351 H LEU 51 H LEU 51 -10.842 5.246 3.287 352 HA LEU 51 HA LEU 51 -11.899 7.928 3.337 353 HB2 LEU 51 HB2 LEU 51 -12.382 5.562 5.176 354 HB3 LEU 51 HB3 LEU 51 -13.197 7.104 5.353 355 HG LEU 51 HG LEU 51 -13.479 5.145 3.048 356 HD11 LEU 51 HD11 LEU 51 -14.757 4.554 5.045 357 HD12 LEU 51 HD12 LEU 51 -15.831 5.039 3.737 358 HD13 LEU 51 HD13 LEU 51 -15.508 6.154 5.071 359 HD21 LEU 51 HD21 LEU 51 -15.086 6.731 2.038 360 HD22 LEU 51 HD22 LEU 51 -13.455 7.393 2.095 361 HD23 LEU 51 HD23 LEU 51 -14.667 7.936 3.260 362 H PHE 52 H PHE 52 -9.530 6.145 5.330 363 HA PHE 52 HA PHE 52 -9.084 8.020 7.387 364 HB2 PHE 52 HB2 PHE 52 -8.011 5.876 7.550 365 HB3 PHE 52 HB3 PHE 52 -7.246 6.043 5.979 366 HD1 PHE 52 HD1 PHE 52 -7.152 7.314 9.497 367 HD2 PHE 52 HD2 PHE 52 -5.035 6.968 5.790 368 HE1 PHE 52 HE1 PHE 52 -5.097 8.123 10.584 369 HE2 PHE 52 HE2 PHE 52 -2.985 7.778 6.888 370 HZ PHE 52 HZ PHE 52 -3.016 8.356 9.284 371 H SER 53 H SER 53 -7.597 7.799 4.173 372 HA SER 53 HA SER 53 -5.939 10.109 4.365 373 HB2 SER 53 HB2 SER 53 -5.450 8.239 2.819 374 HB3 SER 53 HB3 SER 53 -6.915 8.590 1.902 375 HG SER 53 HG SER 53 -5.920 10.177 0.931 376 H ARG 54 H ARG 54 -9.165 9.538 2.961 377 HA ARG 54 HA ARG 54 -9.378 12.079 1.633 378 HB2 ARG 54 HB2 ARG 54 -10.479 10.046 0.792 379 HB3 ARG 54 HB3 ARG 54 -11.495 9.979 2.229 380 HG2 ARG 54 HG2 ARG 54 -12.591 12.090 1.560 381 HG3 ARG 54 HG3 ARG 54 -11.547 12.189 0.135 382 HD2 ARG 54 HD2 ARG 54 -12.503 10.100 -0.730 383 HD3 ARG 54 HD3 ARG 54 -13.512 9.942 0.713 384 HE ARG 54 HE ARG 54 -14.078 12.406 -0.477 385 HH11 ARG 54 HH11 ARG 54 -14.460 9.049 -1.265 386 HH12 ARG 54 HH12 ARG 54 -15.894 9.331 -2.187 387 HH21 ARG 54 HH21 ARG 54 -15.906 12.725 -1.673 388 HH22 ARG 54 HH22 ARG 54 -16.695 11.375 -2.415 389 H ASP 55 H ASP 55 -10.488 10.880 4.783 390 HA ASP 55 HA ASP 55 -12.430 12.868 5.370 391 HB2 ASP 55 HB2 ASP 55 -12.207 10.689 6.588 392 HB3 ASP 55 HB3 ASP 55 -10.721 11.268 7.333 393 H ARG 56 H ARG 56 -8.941 12.782 5.802 394 HA ARG 56 HA ARG 56 -8.780 15.663 6.041 395 HB2 ARG 56 HB2 ARG 56 -9.171 14.888 8.415 396 HB3 ARG 56 HB3 ARG 56 -7.698 13.931 8.318 397 HG2 ARG 56 HG2 ARG 56 -6.367 15.993 8.039 398 HG3 ARG 56 HG3 ARG 56 -7.843 16.964 8.096 399 HD2 ARG 56 HD2 ARG 56 -6.731 17.015 10.268 400 HD3 ARG 56 HD3 ARG 56 -8.266 16.151 10.412 401 HE ARG 56 HE ARG 56 -5.622 14.815 10.226 402 HH11 ARG 56 HH11 ARG 56 -8.815 14.889 11.568 403 HH12 ARG 56 HH12 ARG 56 -8.511 13.531 12.592 404 HH21 ARG 56 HH21 ARG 56 -5.271 13.112 11.560 405 HH22 ARG 56 HH22 ARG 56 -6.533 12.551 12.597 406 H GLY 57 H GLY 57 -7.630 15.483 4.074 407 HA2 GLY 57 HA2 GLY 57 -4.995 15.721 3.906 408 HA3 GLY 57 HA3 GLY 57 -5.093 13.971 4.000 409 H ASN 58 H ASN 58 -5.701 12.801 2.184 410 HA ASN 58 HA ASN 58 -5.833 14.312 -0.383 411 HB2 ASN 58 HB2 ASN 58 -4.659 11.531 0.089 412 HB3 ASN 58 HB3 ASN 58 -4.623 12.445 -1.419 413 HD21 ASN 58 HD21 ASN 58 -3.306 12.170 1.796 414 HD22 ASN 58 HD22 ASN 58 -1.948 13.205 1.545 415 H ASP 59 H ASP 59 -7.679 14.003 -1.584 416 HA ASP 59 HA ASP 59 -9.833 12.363 -0.806 417 HB2 ASP 59 HB2 ASP 59 -9.235 13.625 -3.522 418 HB3 ASP 59 HB3 ASP 59 -10.782 12.890 -3.101 419 H LEU 60 H LEU 60 -7.937 11.945 -3.836 420 HA LEU 60 HA LEU 60 -7.024 10.205 -4.931 421 HB2 LEU 60 HB2 LEU 60 -7.642 8.518 -2.489 422 HB3 LEU 60 HB3 LEU 60 -6.620 8.016 -3.831 423 HG LEU 60 HG LEU 60 -6.011 10.336 -1.947 424 HD11 LEU 60 HD11 LEU 60 -4.288 8.889 -0.979 425 HD12 LEU 60 HD12 LEU 60 -4.819 7.549 -2.000 426 HD13 LEU 60 HD13 LEU 60 -5.899 8.207 -0.767 427 HD21 LEU 60 HD21 LEU 60 -4.295 9.078 -4.125 428 HD22 LEU 60 HD22 LEU 60 -3.769 10.332 -2.996 429 HD23 LEU 60 HD23 LEU 60 -5.033 10.682 -4.172 430 H MET 61 H MET 61 -10.120 9.361 -3.409 431 HA MET 61 HA MET 61 -10.464 6.833 -4.516 432 HB2 MET 61 HB2 MET 61 -12.591 8.756 -3.480 433 HB3 MET 61 HB3 MET 61 -12.801 7.019 -3.694 434 HG2 MET 61 HG2 MET 61 -10.994 6.632 -2.018 435 HG3 MET 61 HG3 MET 61 -10.893 8.375 -1.773 436 HE1 MET 61 HE1 MET 61 -14.433 5.696 -0.464 437 HE2 MET 61 HE2 MET 61 -12.904 5.094 -1.102 438 HE3 MET 61 HE3 MET 61 -14.046 5.909 -2.172 439 H THR 62 H THR 62 -12.453 9.693 -5.442 440 HA THR 62 HA THR 62 -12.283 8.938 -8.268 441 HB THR 62 HB THR 62 -15.020 9.203 -6.930 442 HG1 THR 62 HG1 THR 62 -13.410 7.005 -7.489 443 HG21 THR 62 HG21 THR 62 -14.283 8.518 -9.809 444 HG22 THR 62 HG22 THR 62 -15.007 10.032 -9.268 445 HG23 THR 62 HG23 THR 62 -15.920 8.528 -9.140 446 HA PRO 63 HA PRO 63 -12.592 13.526 -8.382 447 HB2 PRO 63 HB2 PRO 63 -10.282 14.018 -9.674 448 HB3 PRO 63 HB3 PRO 63 -10.292 13.737 -7.925 449 HG2 PRO 63 HG2 PRO 63 -9.573 11.827 -10.150 450 HG3 PRO 63 HG3 PRO 63 -8.751 12.095 -8.598 451 HD2 PRO 63 HD2 PRO 63 -10.561 10.030 -9.083 452 HD3 PRO 63 HD3 PRO 63 -10.175 10.658 -7.471 453 H ARG 64 H ARG 64 -12.162 14.756 -10.693 454 HA ARG 64 HA ARG 64 -12.637 13.115 -13.032 455 HB2 ARG 64 HB2 ARG 64 -14.917 13.318 -11.897 456 HB3 ARG 64 HB3 ARG 64 -14.837 15.043 -12.232 457 HG2 ARG 64 HG2 ARG 64 -14.736 14.568 -14.660 458 HG3 ARG 64 HG3 ARG 64 -14.815 12.839 -14.317 459 HD2 ARG 64 HD2 ARG 64 -17.006 13.601 -14.980 460 HD3 ARG 64 HD3 ARG 64 -17.057 13.197 -13.263 461 HE ARG 64 HE ARG 64 -16.740 15.699 -12.920 462 HH11 ARG 64 HH11 ARG 64 -18.506 14.433 -15.628 463 HH12 ARG 64 HH12 ARG 64 -19.435 15.877 -15.808 464 HH21 ARG 64 HH21 ARG 64 -17.928 17.507 -13.197 465 HH22 ARG 64 HH22 ARG 64 -19.104 17.592 -14.461 466 HA PRO 65 HA PRO 65 -10.623 17.024 -14.420 467 HB2 PRO 65 HB2 PRO 65 -9.228 15.966 -16.501 468 HB3 PRO 65 HB3 PRO 65 -8.703 15.766 -14.823 469 HG2 PRO 65 HG2 PRO 65 -10.194 13.827 -16.589 470 HG3 PRO 65 HG3 PRO 65 -8.829 13.514 -15.494 471 HD2 PRO 65 HD2 PRO 65 -11.459 13.010 -14.828 472 HD3 PRO 65 HD3 PRO 65 -10.214 13.379 -13.621 473 H GLU 66 H GLU 66 -12.374 14.674 -16.463 474 HA GLU 66 HA GLU 66 -13.459 16.859 -18.156 475 HB2 GLU 66 HB2 GLU 66 -12.570 14.109 -19.149 476 HB3 GLU 66 HB3 GLU 66 -13.275 15.382 -20.139 477 HG2 GLU 66 HG2 GLU 66 -11.293 16.775 -19.816 478 HG3 GLU 66 HG3 GLU 66 -10.603 15.587 -18.712 479 H PHE 67 H PHE 67 -13.967 13.310 -18.210 480 HA PHE 67 HA PHE 67 -16.446 13.420 -16.717 481 HB2 PHE 67 HB2 PHE 67 -17.236 14.098 -18.979 482 HB3 PHE 67 HB3 PHE 67 -16.539 12.638 -19.675 483 HD1 PHE 67 HD2 PHE 67 -19.036 13.766 -17.103 484 HD2 PHE 67 HD1 PHE 67 -17.898 10.685 -19.851 485 HE1 PHE 67 HE2 PHE 67 -21.127 12.565 -16.631 486 HE2 PHE 67 HE1 PHE 67 -19.995 9.488 -19.367 487 HZ PHE 67 HZ PHE 67 -21.609 10.427 -17.757 488 H ASN 68 H ASN 68 -15.069 11.205 -19.204 489 HA ASN 68 HA ASN 68 -15.391 8.922 -17.413 490 HB2 ASN 68 HB2 ASN 68 -16.046 8.767 -19.821 491 HB3 ASN 68 HB3 ASN 68 -14.367 9.011 -20.286 492 HD21 ASN 68 HD21 ASN 68 -14.263 6.996 -21.340 493 HD22 ASN 68 HD22 ASN 68 -14.265 5.498 -20.482 494 H PHE 69 H PHE 69 -13.783 9.786 -15.874 495 HA PHE 69 HA PHE 69 -11.408 8.254 -16.001 496 HB2 PHE 69 HB2 PHE 69 -10.705 10.259 -17.430 497 HB3 PHE 69 HB3 PHE 69 -10.861 11.261 -15.992 498 HD1 PHE 69 HD2 PHE 69 -9.036 8.318 -17.399 499 HD2 PHE 69 HD1 PHE 69 -9.031 11.388 -14.417 500 HE1 PHE 69 HE2 PHE 69 -6.738 7.712 -16.773 501 HE2 PHE 69 HE1 PHE 69 -6.731 10.773 -13.797 502 HZ PHE 69 HZ PHE 69 -5.581 8.936 -14.973 503 HA PRO 70 HA PRO 70 -12.239 9.242 -11.571 504 HB2 PRO 70 HB2 PRO 70 -12.164 6.764 -10.591 505 HB3 PRO 70 HB3 PRO 70 -13.531 7.257 -11.605 506 HG2 PRO 70 HG2 PRO 70 -11.111 5.610 -12.351 507 HG3 PRO 70 HG3 PRO 70 -12.813 5.350 -12.785 508 HD2 PRO 70 HD2 PRO 70 -10.899 6.640 -14.408 509 HD3 PRO 70 HD3 PRO 70 -12.662 6.755 -14.612 510 H GLY 71 H GLY 71 -10.836 7.849 -9.611 511 HA2 GLY 71 HA2 GLY 71 -7.956 8.214 -10.297 512 HA3 GLY 71 HA3 GLY 71 -8.658 8.574 -8.727 513 H LEU 72 H LEU 72 -8.766 6.996 -7.213 514 HA LEU 72 HA LEU 72 -8.581 4.183 -7.787 515 HB2 LEU 72 HB2 LEU 72 -6.450 3.744 -6.651 516 HB3 LEU 72 HB3 LEU 72 -6.214 4.740 -8.072 517 HG LEU 72 HG LEU 72 -6.218 5.861 -5.226 518 HD11 LEU 72 HD11 LEU 72 -3.819 5.107 -6.918 519 HD12 LEU 72 HD12 LEU 72 -4.378 4.271 -5.465 520 HD13 LEU 72 HD13 LEU 72 -3.780 5.924 -5.351 521 HD21 LEU 72 HD21 LEU 72 -5.115 7.830 -6.206 522 HD22 LEU 72 HD22 LEU 72 -6.698 7.566 -6.932 523 HD23 LEU 72 HD23 LEU 72 -5.238 7.116 -7.818 524 H LYS 73 H LYS 73 -9.854 3.231 -6.300 525 HA LYS 73 HA LYS 73 -10.042 4.333 -3.564 526 HB2 LYS 73 HB2 LYS 73 -12.474 4.173 -3.544 527 HB3 LYS 73 HB3 LYS 73 -11.954 5.234 -4.840 528 HG2 LYS 73 HG2 LYS 73 -12.785 2.355 -5.278 529 HG3 LYS 73 HG3 LYS 73 -13.913 3.711 -5.334 530 HD2 LYS 73 HD2 LYS 73 -12.648 4.689 -7.232 531 HD3 LYS 73 HD3 LYS 73 -11.502 3.341 -7.162 532 HE2 LYS 73 HE2 LYS 73 -13.487 1.790 -7.571 533 HE3 LYS 73 HE3 LYS 73 -14.444 3.236 -7.905 534 HZ1 LYS 73 HZ1 LYS 73 -12.974 3.765 -9.717 535 HZ2 LYS 73 HZ2 LYS 73 -13.548 2.186 -9.905 536 HZ3 LYS 73 HZ3 LYS 73 -11.973 2.456 -9.349 537 H ALA 74 H ALA 74 -12.091 2.461 -2.706 538 HA ALA 74 HA ALA 74 -10.409 0.449 -1.711 539 HB1 ALA 74 HB1 ALA 74 -12.348 1.275 -0.485 540 HB2 ALA 74 HB2 ALA 74 -12.434 -0.481 -0.666 541 HB3 ALA 74 HB3 ALA 74 -13.438 0.561 -1.679 542 H GLY 75 H GLY 75 -9.670 -1.328 -2.603 543 HA2 GLY 75 HA2 GLY 75 -9.565 -3.337 -3.713 544 HA3 GLY 75 HA3 GLY 75 -11.248 -3.169 -4.165 545 H ASP 76 H ASP 76 -8.708 -0.793 -4.863 546 HA ASP 76 HA ASP 76 -8.789 -1.498 -7.747 547 HB2 ASP 76 HB2 ASP 76 -8.486 1.224 -6.402 548 HB3 ASP 76 HB3 ASP 76 -8.135 0.954 -8.112 549 H ARG 77 H ARG 77 -7.004 -2.891 -7.758 550 HA ARG 77 HA ARG 77 -4.351 -1.968 -7.060 551 HB2 ARG 77 HB2 ARG 77 -3.629 -3.960 -8.551 552 HB3 ARG 77 HB3 ARG 77 -4.576 -4.350 -7.119 553 HG2 ARG 77 HG2 ARG 77 -6.583 -4.677 -8.457 554 HG3 ARG 77 HG3 ARG 77 -5.762 -4.112 -9.913 555 HD2 ARG 77 HD2 ARG 77 -4.912 -6.586 -8.368 556 HD3 ARG 77 HD3 ARG 77 -6.050 -6.623 -9.720 557 HE ARG 77 HE ARG 77 -3.615 -5.304 -10.427 558 HH11 ARG 77 HH11 ARG 77 -4.938 -8.481 -10.024 559 HH12 ARG 77 HH12 ARG 77 -3.839 -9.185 -11.153 560 HH21 ARG 77 HH21 ARG 77 -2.239 -6.242 -11.879 561 HH22 ARG 77 HH22 ARG 77 -2.338 -7.937 -12.191 562 H TRP 78 H TRP 78 -4.158 0.071 -8.021 563 HA TRP 78 HA TRP 78 -3.301 0.324 -10.713 564 HB2 TRP 78 HB2 TRP 78 -5.708 0.019 -11.263 565 HB3 TRP 78 HB3 TRP 78 -6.135 1.356 -10.202 566 HD1 TRP 78 HD1 TRP 78 -6.438 3.638 -11.441 567 HE1 TRP 78 HE1 TRP 78 -5.694 4.620 -13.696 568 HE3 TRP 78 HE3 TRP 78 -3.510 -0.234 -13.113 569 HZ2 TRP 78 HZ2 TRP 78 -4.094 3.874 -15.892 570 HZ3 TRP 78 HZ3 TRP 78 -2.407 -0.013 -15.306 571 HH2 TRP 78 HH2 TRP 78 -2.694 2.001 -16.667 572 H CYS 79 H CYS 79 -1.943 1.982 -10.690 573 HA CYS 79 HA CYS 79 -0.928 3.982 -10.385 574 HB2 CYS 79 HB2 CYS 79 -3.058 4.787 -11.406 575 HB3 CYS 79 HB3 CYS 79 -3.736 5.002 -9.796 576 HG CYS 79 HG CYS 79 -1.840 6.989 -9.088 577 H LEU 80 H LEU 80 -1.508 2.237 -7.873 578 HA LEU 80 HA LEU 80 -1.808 4.122 -5.715 579 HB2 LEU 80 HB2 LEU 80 -2.602 1.670 -5.650 580 HB3 LEU 80 HB3 LEU 80 -0.917 1.214 -5.462 581 HG LEU 80 HG LEU 80 -2.330 1.268 -3.328 582 HD11 LEU 80 HD11 LEU 80 -0.603 2.172 -1.875 583 HD12 LEU 80 HD12 LEU 80 0.161 2.980 -3.245 584 HD13 LEU 80 HD13 LEU 80 0.110 1.219 -3.175 585 HD21 LEU 80 HD21 LEU 80 -2.749 3.410 -2.233 586 HD22 LEU 80 HD22 LEU 80 -3.583 3.328 -3.783 587 HD23 LEU 80 HD23 LEU 80 -2.100 4.276 -3.630 588 H CYS 81 H CYS 81 -0.227 5.526 -5.330 589 HA CYS 81 HA CYS 81 2.516 5.229 -5.938 590 HB2 CYS 81 HB2 CYS 81 1.214 7.149 -3.958 591 HB3 CYS 81 HB3 CYS 81 2.833 7.315 -4.648 592 HG CYS 81 HG CYS 81 0.903 7.053 -7.205 593 H ALA 82 H ALA 82 4.229 4.496 -4.783 594 HA ALA 82 HA ALA 82 4.060 2.559 -2.833 595 HB1 ALA 82 HB1 ALA 82 6.023 2.947 -4.241 596 HB2 ALA 82 HB2 ALA 82 6.473 2.859 -2.541 597 HB3 ALA 82 HB3 ALA 82 6.388 4.424 -3.352 598 H SER 83 H SER 83 4.919 5.982 -2.313 599 HA SER 83 HA SER 83 5.391 5.977 0.439 600 HB2 SER 83 HB2 SER 83 4.289 8.240 -1.276 601 HB3 SER 83 HB3 SER 83 5.009 8.434 0.325 602 HG SER 83 HG SER 83 6.914 8.312 -0.541 603 H ARG 84 H ARG 84 2.327 6.003 -1.264 604 HA ARG 84 HA ARG 84 0.679 7.041 0.836 605 HB2 ARG 84 HB2 ARG 84 0.223 6.909 -1.742 606 HB3 ARG 84 HB3 ARG 84 -0.330 5.274 -1.417 607 HG2 ARG 84 HG2 ARG 84 -2.287 6.576 -1.444 608 HG3 ARG 84 HG3 ARG 84 -1.959 6.318 0.269 609 HD2 ARG 84 HD2 ARG 84 -1.209 8.835 -1.269 610 HD3 ARG 84 HD3 ARG 84 -2.670 8.665 -0.300 611 HE ARG 84 HE ARG 84 0.096 8.869 0.680 612 HH11 ARG 84 HH11 ARG 84 -3.281 8.724 1.482 613 HH12 ARG 84 HH12 ARG 84 -3.007 9.281 3.093 614 HH21 ARG 84 HH21 ARG 84 0.371 9.584 2.721 615 HH22 ARG 84 HH22 ARG 84 -0.980 9.742 3.787 616 H TRP 85 H TRP 85 1.113 3.705 -0.430 617 HA TRP 85 HA TRP 85 -0.191 2.297 1.674 618 HB2 TRP 85 HB2 TRP 85 0.079 0.857 -0.101 619 HB3 TRP 85 HB3 TRP 85 1.582 1.599 -0.624 620 HD1 TRP 85 HD1 TRP 85 3.639 0.093 -0.380 621 HE1 TRP 85 HE1 TRP 85 4.296 -1.940 1.048 622 HE3 TRP 85 HE3 TRP 85 -0.596 -0.358 2.484 623 HZ2 TRP 85 HZ2 TRP 85 3.199 -3.536 3.077 624 HZ3 TRP 85 HZ3 TRP 85 -0.703 -2.172 4.144 625 HH2 TRP 85 HH2 TRP 85 1.158 -3.731 4.436 626 H GLN 86 H GLN 86 3.147 3.358 1.250 627 HA GLN 86 HA GLN 86 4.441 1.966 3.298 628 HB2 GLN 86 HB2 GLN 86 5.624 3.116 1.477 629 HB3 GLN 86 HB3 GLN 86 5.096 4.674 2.076 630 HG2 GLN 86 HG2 GLN 86 7.429 4.346 2.595 631 HG3 GLN 86 HG3 GLN 86 6.500 4.389 4.089 632 HE21 GLN 86 HE21 GLN 86 5.734 1.939 4.647 633 HE22 GLN 86 HE22 GLN 86 7.031 0.793 4.632 634 H GLU 87 H GLU 87 2.876 5.166 3.386 635 HA GLU 87 HA GLU 87 3.508 5.873 6.040 636 HB2 GLU 87 HB2 GLU 87 2.577 7.495 4.394 637 HB3 GLU 87 HB3 GLU 87 1.037 6.646 4.419 638 HG2 GLU 87 HG2 GLU 87 0.873 7.211 6.896 639 HG3 GLU 87 HG3 GLU 87 2.305 8.214 6.688 640 H ALA 88 H ALA 88 0.906 3.870 4.742 641 HA ALA 88 HA ALA 88 -0.842 3.843 6.959 642 HB1 ALA 88 HB1 ALA 88 -0.461 1.731 4.815 643 HB2 ALA 88 HB2 ALA 88 -1.511 3.145 4.698 644 HB3 ALA 88 HB3 ALA 88 -1.861 1.887 5.884 645 H PHE 89 H PHE 89 1.879 1.721 6.062 646 HA PHE 89 HA PHE 89 1.677 -0.088 8.256 647 HB2 PHE 89 HB2 PHE 89 2.952 -0.640 6.209 648 HB3 PHE 89 HB3 PHE 89 4.113 0.636 6.567 649 HD1 PHE 89 HD2 PHE 89 2.900 -2.716 7.612 650 HD2 PHE 89 HD1 PHE 89 5.872 0.297 8.254 651 HE1 PHE 89 HE2 PHE 89 4.234 -4.287 8.937 652 HE2 PHE 89 HE1 PHE 89 7.193 -1.299 9.581 653 HZ PHE 89 HZ PHE 89 6.373 -3.593 9.920 654 H GLU 90 H GLU 90 3.733 2.790 7.717 655 HA GLU 90 HA GLU 90 5.166 2.623 10.178 656 HB2 GLU 90 HB2 GLU 90 4.783 5.007 8.321 657 HB3 GLU 90 HB3 GLU 90 6.006 4.888 9.587 658 HG2 GLU 90 HG2 GLU 90 7.052 2.996 8.408 659 HG3 GLU 90 HG3 GLU 90 5.819 3.083 7.151 660 H ALA 91 H ALA 91 2.050 3.968 9.431 661 HA ALA 91 HA ALA 91 1.808 5.421 11.960 662 HB1 ALA 91 HB1 ALA 91 0.725 6.317 9.944 663 HB2 ALA 91 HB2 ALA 91 -0.464 5.955 11.197 664 HB3 ALA 91 HB3 ALA 91 -0.271 4.865 9.819 665 H GLY 92 H GLY 92 0.905 2.249 10.629 666 HA2 GLY 92 HA2 GLY 92 1.071 0.552 12.496 667 HA3 GLY 92 HA3 GLY 92 -0.176 1.479 13.302 668 H MET 93 H MET 93 -1.442 1.766 10.421 669 HA MET 93 HA MET 93 -3.352 -0.343 10.884 670 HB2 MET 93 HB2 MET 93 -3.195 1.550 8.499 671 HB3 MET 93 HB3 MET 93 -4.577 0.549 8.939 672 HG2 MET 93 HG2 MET 93 -5.132 2.715 9.677 673 HG3 MET 93 HG3 MET 93 -4.624 1.873 11.140 674 HE1 MET 93 HE1 MET 93 -2.538 3.497 8.174 675 HE2 MET 93 HE2 MET 93 -2.130 5.052 8.897 676 HE3 MET 93 HE3 MET 93 -3.810 4.671 8.522 677 H ALA 94 H ALA 94 -1.538 0.409 7.893 678 HA ALA 94 HA ALA 94 -0.862 -0.781 6.112 679 HB1 ALA 94 HB1 ALA 94 -0.171 -2.891 8.167 680 HB2 ALA 94 HB2 ALA 94 0.827 -1.505 7.729 681 HB3 ALA 94 HB3 ALA 94 0.498 -2.764 6.538 682 HA PRO 95 HA PRO 95 -4.951 -2.998 5.321 683 HB2 PRO 95 HB2 PRO 95 -4.104 -1.660 2.728 684 HB3 PRO 95 HB3 PRO 95 -5.731 -1.873 3.399 685 HG2 PRO 95 HG2 PRO 95 -4.585 0.473 3.660 686 HG3 PRO 95 HG3 PRO 95 -5.383 -0.240 5.084 687 HD2 PRO 95 HD2 PRO 95 -2.434 -0.127 4.419 688 HD3 PRO 95 HD3 PRO 95 -3.254 0.174 5.971 689 HA PRO 96 HA PRO 96 -3.367 -6.673 3.170 690 HB2 PRO 96 HB2 PRO 96 -5.903 -6.754 1.571 691 HB3 PRO 96 HB3 PRO 96 -5.231 -7.963 2.672 692 HG2 PRO 96 HG2 PRO 96 -7.372 -6.498 3.368 693 HG3 PRO 96 HG3 PRO 96 -6.134 -6.926 4.568 694 HD2 PRO 96 HD2 PRO 96 -6.522 -4.315 3.096 695 HD3 PRO 96 HD3 PRO 96 -6.155 -4.596 4.815 696 H VAL 97 H VAL 97 -1.700 -6.025 1.822 697 HA VAL 97 HA VAL 97 -2.259 -4.711 -0.746 698 HB VAL 97 HB VAL 97 -0.487 -3.657 0.523 699 HG11 VAL 97 HG11 VAL 97 1.609 -4.771 1.184 700 HG12 VAL 97 HG12 VAL 97 0.972 -6.318 0.613 701 HG13 VAL 97 HG13 VAL 97 0.205 -5.498 1.975 702 HG21 VAL 97 HG21 VAL 97 -0.144 -3.677 -1.915 703 HG22 VAL 97 HG22 VAL 97 0.755 -5.191 -1.797 704 HG23 VAL 97 HG23 VAL 97 1.409 -3.718 -1.073 705 H VAL 98 H VAL 98 -1.826 -5.635 -2.710 706 HA VAL 98 HA VAL 98 -2.133 -8.498 -2.778 707 HB VAL 98 HB VAL 98 -3.609 -7.141 -4.119 708 HG11 VAL 98 HG11 VAL 98 -2.893 -5.842 -6.092 709 HG12 VAL 98 HG12 VAL 98 -1.203 -6.173 -5.704 710 HG13 VAL 98 HG13 VAL 98 -2.185 -5.202 -4.603 711 HG21 VAL 98 HG21 VAL 98 -3.430 -8.287 -6.296 712 HG22 VAL 98 HG22 VAL 98 -3.144 -9.394 -4.952 713 HG23 VAL 98 HG23 VAL 98 -1.783 -8.786 -5.899 714 H LEU 99 H LEU 99 -0.180 -9.406 -2.200 715 HA LEU 99 HA LEU 99 2.390 -8.777 -3.155 716 HB2 LEU 99 HB2 LEU 99 1.186 -11.033 -1.600 717 HB3 LEU 99 HB3 LEU 99 2.723 -11.384 -2.352 718 HG LEU 99 HG LEU 99 2.823 -10.604 0.084 719 HD11 LEU 99 HD11 LEU 99 4.835 -9.241 -0.236 720 HD12 LEU 99 HD12 LEU 99 4.423 -8.987 -1.934 721 HD13 LEU 99 HD13 LEU 99 4.816 -10.607 -1.350 722 HD21 LEU 99 HD21 LEU 99 2.194 -7.881 -1.116 723 HD22 LEU 99 HD22 LEU 99 2.642 -8.222 0.559 724 HD23 LEU 99 HD23 LEU 99 1.117 -8.823 -0.081 725 H GLN 100 H GLN 100 0.016 -11.038 -4.501 726 HA GLN 100 HA GLN 100 1.772 -12.325 -6.371 727 HB2 GLN 100 HB2 GLN 100 -0.293 -13.201 -7.416 728 HB3 GLN 100 HB3 GLN 100 -0.303 -13.410 -5.669 729 HG2 GLN 100 HG2 GLN 100 -1.868 -11.575 -5.399 730 HG3 GLN 100 HG3 GLN 100 -1.767 -11.170 -7.108 731 HE21 GLN 100 HE21 GLN 100 -2.845 -12.489 -8.615 732 HE22 GLN 100 HE22 GLN 100 -4.061 -13.616 -8.135 733 H SER 101 H SER 101 0.497 -9.182 -6.392 734 HA SER 101 HA SER 101 0.877 -8.891 -9.324 735 HB2 SER 101 HB2 SER 101 -1.305 -7.618 -7.634 736 HB3 SER 101 HB3 SER 101 -1.019 -7.269 -9.343 737 HG SER 101 HG SER 101 -1.472 -9.484 -9.770 738 H THR 102 H THR 102 1.874 -7.825 -6.245 739 HA THR 102 HA THR 102 2.549 -5.097 -6.883 740 HB THR 102 HB THR 102 3.656 -6.906 -4.679 741 HG1 THR 102 HG1 THR 102 1.317 -5.783 -4.903 742 HG21 THR 102 HG21 THR 102 5.276 -5.090 -5.123 743 HG22 THR 102 HG22 THR 102 4.453 -4.815 -3.586 744 HG23 THR 102 HG23 THR 102 3.981 -3.891 -5.013 745 H GLU 103 H GLU 103 4.115 -4.463 -8.239 746 HA GLU 103 HA GLU 103 5.980 -6.167 -9.505 747 HB2 GLU 103 HB2 GLU 103 5.135 -4.034 -10.526 748 HB3 GLU 103 HB3 GLU 103 6.006 -3.122 -9.304 749 HG2 GLU 103 HG2 GLU 103 7.181 -3.118 -11.456 750 HG3 GLU 103 HG3 GLU 103 8.141 -3.866 -10.187 751 H LYS 104 H LYS 104 8.269 -6.321 -9.305 752 HA LYS 104 HA LYS 104 9.375 -6.214 -6.684 753 HB2 LYS 104 HB2 LYS 104 9.948 -7.833 -8.568 754 HB3 LYS 104 HB3 LYS 104 10.884 -6.545 -9.310 755 HG2 LYS 104 HG2 LYS 104 11.467 -7.535 -6.501 756 HG3 LYS 104 HG3 LYS 104 12.123 -8.344 -7.926 757 HD2 LYS 104 HD2 LYS 104 13.274 -6.245 -8.585 758 HD3 LYS 104 HD3 LYS 104 12.619 -5.434 -7.160 759 HE2 LYS 104 HE2 LYS 104 14.922 -6.111 -6.742 760 HE3 LYS 104 HE3 LYS 104 13.835 -7.046 -5.711 761 HZ1 LYS 104 HZ1 LYS 104 15.090 -7.971 -8.242 762 HZ2 LYS 104 HZ2 LYS 104 13.988 -8.868 -7.321 763 HZ3 LYS 104 HZ3 LYS 104 15.495 -8.467 -6.676 764 H SER 105 H SER 105 9.588 -4.033 -9.482 765 HA SER 105 HA SER 105 11.592 -2.282 -8.521 766 HB2 SER 105 HB2 SER 105 10.825 -0.657 -10.164 767 HB3 SER 105 HB3 SER 105 10.777 -2.265 -10.884 768 HG SER 105 HG SER 105 8.788 -1.824 -11.311 769 H ALA 106 H ALA 106 8.214 -2.562 -7.617 770 HA ALA 106 HA ALA 106 7.773 -0.117 -6.297 771 HB1 ALA 106 HB1 ALA 106 6.741 -2.850 -5.479 772 HB2 ALA 106 HB2 ALA 106 6.003 -1.794 -6.685 773 HB3 ALA 106 HB3 ALA 106 6.061 -1.292 -4.994 774 H LEU 107 H LEU 107 9.520 -3.001 -5.197 775 HA LEU 107 HA LEU 107 9.834 -2.549 -2.452 776 HB2 LEU 107 HB2 LEU 107 11.538 -4.010 -4.478 777 HB3 LEU 107 HB3 LEU 107 12.088 -3.876 -2.820 778 HG LEU 107 HG LEU 107 10.168 -5.153 -2.012 779 HD11 LEU 107 HD11 LEU 107 9.231 -5.365 -4.887 780 HD12 LEU 107 HD12 LEU 107 8.433 -4.468 -3.592 781 HD13 LEU 107 HD13 LEU 107 8.550 -6.222 -3.501 782 HD21 LEU 107 HD21 LEU 107 11.536 -6.547 -4.341 783 HD22 LEU 107 HD22 LEU 107 10.736 -7.339 -2.978 784 HD23 LEU 107 HD23 LEU 107 12.185 -6.376 -2.706 785 H ARG 108 H ARG 108 11.145 -0.672 -4.945 786 HA ARG 108 HA ARG 108 13.653 0.197 -3.951 787 HB2 ARG 108 HB2 ARG 108 11.638 1.360 -5.890 788 HB3 ARG 108 HB3 ARG 108 13.065 2.290 -5.454 789 HG2 ARG 108 HG2 ARG 108 13.331 -0.525 -6.540 790 HG3 ARG 108 HG3 ARG 108 13.108 0.854 -7.619 791 HD2 ARG 108 HD2 ARG 108 15.498 0.315 -7.376 792 HD3 ARG 108 HD3 ARG 108 15.133 1.918 -6.723 793 HE ARG 108 HE ARG 108 15.391 -0.452 -4.966 794 HH11 ARG 108 HH11 ARG 108 16.404 2.773 -5.746 795 HH12 ARG 108 HH12 ARG 108 17.338 2.929 -4.303 796 HH21 ARG 108 HH21 ARG 108 16.571 -0.207 -3.135 797 HH22 ARG 108 HH22 ARG 108 17.453 1.253 -2.857 798 H TYR 109 H TYR 109 10.396 1.230 -3.274 799 HA TYR 109 HA TYR 109 11.270 3.484 -1.526 800 HB2 TYR 109 HB2 TYR 109 8.647 2.857 -2.962 801 HB3 TYR 109 HB3 TYR 109 8.817 4.169 -1.816 802 HD1 TYR 109 HD1 TYR 109 10.274 2.863 -5.021 803 HD2 TYR 109 HD2 TYR 109 9.452 6.343 -2.674 804 HE1 TYR 109 HE1 TYR 109 11.039 4.273 -6.873 805 HE2 TYR 109 HE2 TYR 109 10.205 7.766 -4.540 806 HH TYR 109 HH TYR 109 11.834 7.452 -6.554 807 H VAL 110 H VAL 110 10.000 0.352 -1.586 808 HA VAL 110 HA VAL 110 8.126 0.690 0.665 809 HB VAL 110 HB VAL 110 8.160 -1.112 -1.793 810 HG11 VAL 110 HG11 VAL 110 6.070 -2.078 -1.044 811 HG12 VAL 110 HG12 VAL 110 6.217 -1.230 0.500 812 HG13 VAL 110 HG13 VAL 110 7.398 -2.468 0.047 813 HG21 VAL 110 HG21 VAL 110 6.133 0.958 -0.862 814 HG22 VAL 110 HG22 VAL 110 6.015 -0.020 -2.330 815 HG23 VAL 110 HG23 VAL 110 7.309 1.170 -2.164 816 H SER 111 H SER 111 10.443 -1.639 -0.738 817 HA SER 111 HA SER 111 11.506 -3.463 -0.084 818 HB2 SER 111 HB2 SER 111 10.918 -2.609 2.772 819 HB3 SER 111 HB3 SER 111 12.070 -3.838 2.269 820 HG SER 111 HG SER 111 12.171 -1.057 1.841 821 H LEU 112 H LEU 112 11.110 -5.619 0.189 822 HA LEU 112 HA LEU 112 8.473 -6.552 -0.050 823 HB2 LEU 112 HB2 LEU 112 10.124 -7.791 -1.134 824 HB3 LEU 112 HB3 LEU 112 11.145 -7.840 0.268 825 HG LEU 112 HG LEU 112 8.582 -9.432 0.348 826 HD11 LEU 112 HD11 LEU 112 9.525 -10.016 -1.845 827 HD12 LEU 112 HD12 LEU 112 9.643 -11.371 -0.722 828 HD13 LEU 112 HD13 LEU 112 11.075 -10.401 -1.091 829 HD21 LEU 112 HD21 LEU 112 9.978 -11.010 1.693 830 HD22 LEU 112 HD22 LEU 112 9.907 -9.395 2.396 831 HD23 LEU 112 HD23 LEU 112 11.356 -9.913 1.517 832 H ALA 113 H ALA 113 10.593 -6.569 2.816 833 HA ALA 113 HA ALA 113 9.074 -8.243 4.498 834 HB1 ALA 113 HB1 ALA 113 11.378 -7.546 5.007 835 HB2 ALA 113 HB2 ALA 113 10.307 -7.197 6.365 836 HB3 ALA 113 HB3 ALA 113 10.832 -5.893 5.294 837 H ASP 114 H ASP 114 8.741 -4.820 3.777 838 HA ASP 114 HA ASP 114 6.804 -4.029 5.662 839 HB2 ASP 114 HB2 ASP 114 8.238 -2.579 4.132 840 HB3 ASP 114 HB3 ASP 114 7.154 -3.004 2.813 841 H LEU 115 H LEU 115 6.533 -5.672 2.547 842 HA LEU 115 HA LEU 115 3.696 -5.405 2.145 843 HB2 LEU 115 HB2 LEU 115 5.726 -7.288 0.873 844 HB3 LEU 115 HB3 LEU 115 4.104 -6.971 0.267 845 HG LEU 115 HG LEU 115 6.324 -4.892 0.429 846 HD11 LEU 115 HD11 LEU 115 6.457 -5.075 -2.018 847 HD12 LEU 115 HD12 LEU 115 5.324 -6.432 -1.982 848 HD13 LEU 115 HD13 LEU 115 6.909 -6.581 -1.218 849 HD21 LEU 115 HD21 LEU 115 4.098 -3.909 0.566 850 HD22 LEU 115 HD22 LEU 115 3.606 -4.762 -0.899 851 HD23 LEU 115 HD23 LEU 115 4.866 -3.527 -0.971 852 H GLN 116 H GLN 116 5.896 -8.036 3.025 853 HA GLN 116 HA GLN 116 3.929 -10.088 3.299 854 HB2 GLN 116 HB2 GLN 116 6.807 -10.058 4.286 855 HB3 GLN 116 HB3 GLN 116 5.793 -11.483 4.070 856 HG2 GLN 116 HG2 GLN 116 5.648 -10.626 1.573 857 HG3 GLN 116 HG3 GLN 116 7.099 -9.742 2.002 858 HE21 GLN 116 HE21 GLN 116 6.677 -12.061 0.142 859 HE22 GLN 116 HE22 GLN 116 7.818 -13.250 0.648 860 H ALA 117 H ALA 117 5.321 -7.793 5.491 861 HA ALA 117 HA ALA 117 4.717 -8.695 8.025 862 HB1 ALA 117 HB1 ALA 117 5.788 -6.540 7.522 863 HB2 ALA 117 HB2 ALA 117 4.454 -6.340 8.660 864 HB3 ALA 117 HB3 ALA 117 4.243 -5.899 6.962 865 H HIS 118 H HIS 118 2.356 -7.658 5.584 866 HA HIS 118 HA HIS 118 0.148 -8.540 7.364 867 HB2 HIS 118 HB2 HIS 118 0.459 -5.922 5.997 868 HB3 HIS 118 HB3 HIS 118 -1.094 -6.679 5.675 869 HD1 HIS 118 HD1 HIS 118 0.863 -5.032 8.396 870 HD2 HIS 118 HD2 HIS 118 -2.786 -6.963 7.926 871 HE1 HIS 118 HE1 HIS 118 -0.453 -4.495 10.460 872 HE2 HIS 118 HE2 HIS 118 -2.707 -5.546 10.084 873 H ALA 119 H ALA 119 1.735 -9.827 5.082 874 HA ALA 119 HA ALA 119 -0.624 -11.135 3.890 875 HB1 ALA 119 HB1 ALA 119 0.373 -11.103 1.635 876 HB2 ALA 119 HB2 ALA 119 1.729 -10.141 2.234 877 HB3 ALA 119 HB3 ALA 119 0.101 -9.460 2.222 878 H LEU 120 H LEU 120 0.749 -12.962 2.225 879 HA LEU 120 HA LEU 120 1.811 -14.800 4.140 880 HB2 LEU 120 HB2 LEU 120 1.381 -14.933 1.157 881 HB3 LEU 120 HB3 LEU 120 2.348 -16.168 1.929 882 HG LEU 120 HG LEU 120 0.089 -16.998 1.681 883 HD11 LEU 120 HD11 LEU 120 1.295 -17.686 3.689 884 HD12 LEU 120 HD12 LEU 120 -0.438 -17.601 3.994 885 HD13 LEU 120 HD13 LEU 120 0.627 -16.321 4.590 886 HD21 LEU 120 HD21 LEU 120 -0.873 -14.583 3.257 887 HD22 LEU 120 HD22 LEU 120 -1.870 -15.941 2.723 888 HD23 LEU 120 HD23 LEU 120 -1.130 -14.872 1.535 889 HA PRO 121 HA PRO 121 6.078 -13.542 3.792 890 HB2 PRO 121 HB2 PRO 121 7.068 -15.285 5.689 891 HB3 PRO 121 HB3 PRO 121 6.148 -13.829 6.065 892 HG2 PRO 121 HG2 PRO 121 5.350 -16.629 6.364 893 HG3 PRO 121 HG3 PRO 121 4.546 -15.174 6.974 894 HD2 PRO 121 HD2 PRO 121 3.920 -16.770 4.582 895 HD3 PRO 121 HD3 PRO 121 2.946 -15.514 5.374 896 H VAL 122 H VAL 122 8.303 -14.394 3.402 897 HA VAL 122 HA VAL 122 8.206 -16.198 1.148 898 HB VAL 122 HB VAL 122 9.489 -14.193 0.836 899 HG11 VAL 122 HG11 VAL 122 10.090 -13.666 3.150 900 HG12 VAL 122 HG12 VAL 122 11.519 -13.611 2.116 901 HG13 VAL 122 HG13 VAL 122 11.249 -14.998 3.176 902 HG21 VAL 122 HG21 VAL 122 10.356 -16.158 -0.357 903 HG22 VAL 122 HG22 VAL 122 11.403 -16.557 1.008 904 HG23 VAL 122 HG23 VAL 122 11.683 -15.078 0.082 905 H LEU 123 H LEU 123 8.132 -18.302 1.550 906 HA LEU 123 HA LEU 123 9.574 -19.781 3.507 907 HB2 LEU 123 HB2 LEU 123 7.498 -20.474 2.225 908 HB3 LEU 123 HB3 LEU 123 8.487 -20.690 0.798 909 HG LEU 123 HG LEU 123 9.089 -22.307 3.301 910 HD11 LEU 123 HD11 LEU 123 7.560 -24.080 2.550 911 HD12 LEU 123 HD12 LEU 123 6.969 -23.040 1.251 912 HD13 LEU 123 HD13 LEU 123 6.680 -22.602 2.938 913 HD21 LEU 123 HD21 LEU 123 9.879 -24.002 1.681 914 HD22 LEU 123 HD22 LEU 123 10.711 -22.466 1.453 915 HD23 LEU 123 HD23 LEU 123 9.426 -22.943 0.341 916 H GLU 124 H GLU 124 11.565 -21.085 3.152 917 HA GLU 124 HA GLU 124 13.227 -20.195 0.849 918 HB2 GLU 124 HB2 GLU 124 15.223 -20.177 2.199 919 HB3 GLU 124 HB3 GLU 124 14.022 -19.153 2.968 920 HG2 GLU 124 HG2 GLU 124 14.688 -21.981 3.855 921 HG3 GLU 124 HG3 GLU 124 15.409 -20.530 4.543 922 H HIS 125 H HIS 125 14.403 -21.706 -0.244 923 HA HIS 125 HA HIS 125 14.043 -24.562 0.461 924 HB2 HIS 125 HB2 HIS 125 14.848 -23.208 -2.148 925 HB3 HIS 125 HB3 HIS 125 14.807 -24.956 -1.926 926 HD1 HIS 125 HD1 HIS 125 12.906 -22.796 -3.696 927 HD2 HIS 125 HD2 HIS 125 11.892 -25.310 -0.546 928 HE1 HIS 125 HE1 HIS 125 10.439 -23.208 -3.933 929 HE2 HIS 125 HE2 HIS 125 9.870 -24.801 -2.074 930 H HIS 126 H HIS 126 16.616 -22.198 -0.373 931 HA HIS 126 HA HIS 126 18.641 -24.084 0.723 932 HB2 HIS 126 HB2 HIS 126 19.052 -21.832 -1.289 933 HB3 HIS 126 HB3 HIS 126 20.340 -22.820 -0.612 934 HD1 HIS 126 HD1 HIS 126 20.813 -25.027 -1.747 935 HD2 HIS 126 HD2 HIS 126 17.296 -23.265 -3.085 936 HE1 HIS 126 HE1 HIS 126 20.096 -26.381 -3.733 937 HE2 HIS 126 HE2 HIS 126 17.972 -25.295 -4.539 938 H HIS 127 H HIS 127 18.330 -23.414 2.910 939 HA HIS 127 HA HIS 127 18.936 -20.687 3.715 940 HB2 HIS 127 HB2 HIS 127 17.408 -22.225 5.024 941 HB3 HIS 127 HB3 HIS 127 18.816 -23.184 5.465 942 HD1 HIS 127 HD1 HIS 127 19.675 -22.587 7.747 943 HD2 HIS 127 HD2 HIS 127 17.882 -19.330 5.881 944 HE1 HIS 127 HE1 HIS 127 19.807 -20.707 9.405 945 HE2 HIS 127 HE2 HIS 127 18.837 -18.723 8.204 946 H HIS 128 H HIS 128 20.758 -23.465 2.867 947 HA HIS 128 HA HIS 128 23.271 -22.364 4.002 948 HB2 HIS 128 HB2 HIS 128 22.641 -25.189 3.039 949 HB3 HIS 128 HB3 HIS 128 24.209 -24.651 3.635 950 HD1 HIS 128 HD1 HIS 128 21.322 -26.390 4.765 951 HD2 HIS 128 HD2 HIS 128 23.872 -23.585 6.475 952 HE1 HIS 128 HE1 HIS 128 21.017 -26.634 7.244 953 HE2 HIS 128 HE2 HIS 128 22.676 -25.038 8.252 954 H HIS 129 H HIS 129 25.237 -22.791 2.586 955 HA HIS 129 HA HIS 129 24.831 -22.852 -0.302 956 HB2 HIS 129 HB2 HIS 129 26.082 -20.675 -0.650 957 HB3 HIS 129 HB3 HIS 129 24.474 -20.493 0.037 958 HD1 HIS 129 HD1 HIS 129 24.414 -18.778 1.803 959 HD2 HIS 129 HD2 HIS 129 28.120 -20.661 1.683 960 HE1 HIS 129 HE1 HIS 129 25.795 -17.648 3.564 961 HE2 HIS 129 HE2 HIS 129 27.968 -18.910 3.581 962 H HIS 130 H HIS 130 26.927 -22.769 -1.503 963 HA HIS 130 HA HIS 130 28.931 -24.467 -0.460 964 HB2 HIS 130 HB2 HIS 130 30.227 -23.830 -2.554 965 HB3 HIS 130 HB3 HIS 130 28.604 -24.443 -2.833 966 HD1 HIS 130 HD1 HIS 130 26.950 -22.921 -4.005 967 HD2 HIS 130 HD2 HIS 130 30.530 -21.012 -3.101 968 HE1 HIS 130 HE1 HIS 130 26.866 -20.729 -5.217 969 HE2 HIS 130 HE2 HIS 130 28.938 -19.510 -4.481 Start of MODEL 12 1 H1 MET 1 H1 MET 1 26.216 9.476 -38.512 2 H2 MET 1 H2 MET 1 25.917 10.426 -37.147 3 H3 MET 1 H3 MET 1 25.765 8.743 -37.058 4 HA MET 1 HA MET 1 28.103 8.441 -37.424 5 HB2 MET 1 HB2 MET 1 28.163 11.483 -37.515 6 HB3 MET 1 HB3 MET 1 29.601 10.479 -37.386 7 HG2 MET 1 HG2 MET 1 29.069 9.468 -39.584 8 HG3 MET 1 HG3 MET 1 27.668 10.535 -39.714 9 HE1 MET 1 HE1 MET 1 32.035 12.098 -39.606 10 HE2 MET 1 HE2 MET 1 31.626 10.386 -39.508 11 HE3 MET 1 HE3 MET 1 31.221 11.468 -38.175 12 H GLY 2 H GLY 2 29.775 8.693 -35.699 13 HA2 GLY 2 HA2 GLY 2 30.516 8.884 -33.539 14 HA3 GLY 2 HA3 GLY 2 29.370 10.192 -33.322 15 H GLN 3 H GLN 3 28.884 6.720 -33.978 16 HA GLN 3 HA GLN 3 27.400 6.433 -31.418 17 HB2 GLN 3 HB2 GLN 3 25.857 6.462 -33.359 18 HB3 GLN 3 HB3 GLN 3 26.747 5.144 -34.102 19 HG2 GLN 3 HG2 GLN 3 24.680 4.320 -33.099 20 HG3 GLN 3 HG3 GLN 3 26.071 3.639 -32.259 21 HE21 GLN 3 HE21 GLN 3 26.462 4.257 -30.107 22 HE22 GLN 3 HE22 GLN 3 25.292 5.098 -29.156 23 H GLY 4 H GLY 4 29.023 5.492 -30.240 24 HA2 GLY 4 HA2 GLY 4 30.390 3.059 -31.157 25 HA3 GLY 4 HA3 GLY 4 30.672 3.927 -29.658 26 H GLN 5 H GLN 5 30.666 1.476 -29.073 27 HA GLN 5 HA GLN 5 27.992 0.345 -28.638 28 HB2 GLN 5 HB2 GLN 5 29.763 -1.143 -29.466 29 HB3 GLN 5 HB3 GLN 5 30.778 -0.760 -28.082 30 HG2 GLN 5 HG2 GLN 5 29.196 -1.882 -26.576 31 HG3 GLN 5 HG3 GLN 5 28.113 -2.215 -27.925 32 HE21 GLN 5 HE21 GLN 5 28.714 -3.816 -29.443 33 HE22 GLN 5 HE22 GLN 5 29.929 -4.992 -29.086 34 H ASN 6 H ASN 6 27.014 0.116 -26.661 35 HA ASN 6 HA ASN 6 28.292 1.276 -24.245 36 HB2 ASN 6 HB2 ASN 6 25.321 0.917 -24.875 37 HB3 ASN 6 HB3 ASN 6 25.977 1.652 -23.411 38 HD21 ASN 6 HD21 ASN 6 26.919 3.732 -23.554 39 HD22 ASN 6 HD22 ASN 6 26.629 4.760 -24.907 40 H VAL 7 H VAL 7 27.964 0.173 -22.212 41 HA VAL 7 HA VAL 7 28.198 -2.672 -22.278 42 HB VAL 7 HB VAL 7 28.515 -2.628 -19.935 43 HG11 VAL 7 HG11 VAL 7 30.251 -1.323 -21.064 44 HG12 VAL 7 HG12 VAL 7 29.948 -0.672 -19.450 45 HG13 VAL 7 HG13 VAL 7 29.290 0.148 -20.873 46 HG21 VAL 7 HG21 VAL 7 27.719 -0.845 -18.383 47 HG22 VAL 7 HG22 VAL 7 26.378 -1.640 -19.204 48 HG23 VAL 7 HG23 VAL 7 26.906 -0.040 -19.730 49 H LEU 8 H LEU 8 25.555 -0.527 -21.991 50 HA LEU 8 HA LEU 8 23.602 -2.194 -20.745 51 HB2 LEU 8 HB2 LEU 8 23.281 0.329 -22.394 52 HB3 LEU 8 HB3 LEU 8 22.086 -0.378 -21.334 53 HG LEU 8 HG LEU 8 24.728 0.808 -20.435 54 HD11 LEU 8 HD11 LEU 8 23.376 2.563 -19.420 55 HD12 LEU 8 HD12 LEU 8 21.912 1.837 -20.089 56 HD13 LEU 8 HD13 LEU 8 23.145 2.497 -21.167 57 HD21 LEU 8 HD21 LEU 8 22.483 -0.367 -18.740 58 HD22 LEU 8 HD22 LEU 8 23.901 0.485 -18.123 59 HD23 LEU 8 HD23 LEU 8 24.099 -1.052 -18.957 60 H GLY 9 H GLY 9 24.765 -1.861 -23.970 61 HA2 GLY 9 HA2 GLY 9 22.510 -2.830 -25.454 62 HA3 GLY 9 HA3 GLY 9 24.163 -2.689 -26.020 63 H GLN 10 H GLN 10 24.819 -4.505 -23.485 64 HA GLN 10 HA GLN 10 23.763 -7.092 -24.320 65 HB2 GLN 10 HB2 GLN 10 26.056 -8.082 -24.670 66 HB3 GLN 10 HB3 GLN 10 25.565 -6.934 -25.911 67 HG2 GLN 10 HG2 GLN 10 26.969 -5.187 -24.808 68 HG3 GLN 10 HG3 GLN 10 27.507 -6.387 -23.635 69 HE21 GLN 10 HE21 GLN 10 28.927 -8.039 -24.325 70 HE22 GLN 10 HE22 GLN 10 29.802 -7.920 -25.808 71 H ASP 11 H ASP 11 23.502 -8.376 -22.590 72 HA ASP 11 HA ASP 11 25.236 -8.516 -20.301 73 HB2 ASP 11 HB2 ASP 11 23.973 -6.306 -19.962 74 HB3 ASP 11 HB3 ASP 11 22.495 -7.247 -19.817 75 H LEU 12 H LEU 12 23.952 -9.862 -18.449 76 HA LEU 12 HA LEU 12 23.232 -12.380 -19.431 77 HB2 LEU 12 HB2 LEU 12 22.716 -11.082 -16.731 78 HB3 LEU 12 HB3 LEU 12 22.249 -12.738 -17.072 79 HG LEU 12 HG LEU 12 24.712 -13.219 -17.579 80 HD11 LEU 12 HD11 LEU 12 25.505 -10.918 -17.912 81 HD12 LEU 12 HD12 LEU 12 26.419 -11.744 -16.653 82 HD13 LEU 12 HD13 LEU 12 25.190 -10.553 -16.212 83 HD21 LEU 12 HD21 LEU 12 25.306 -13.507 -15.218 84 HD22 LEU 12 HD22 LEU 12 23.621 -13.941 -15.500 85 HD23 LEU 12 HD23 LEU 12 24.016 -12.397 -14.741 86 H GLU 13 H GLU 13 21.394 -13.283 -20.119 87 HA GLU 13 HA GLU 13 18.975 -11.689 -20.485 88 HB2 GLU 13 HB2 GLU 13 18.242 -13.447 -22.021 89 HB3 GLU 13 HB3 GLU 13 19.879 -12.950 -22.412 90 HG2 GLU 13 HG2 GLU 13 19.228 -15.461 -20.828 91 HG3 GLU 13 HG3 GLU 13 19.390 -15.440 -22.579 92 H VAL 14 H VAL 14 16.873 -13.293 -20.464 93 HA VAL 14 HA VAL 14 16.303 -13.673 -17.709 94 HB VAL 14 HB VAL 14 14.576 -12.925 -19.299 95 HG11 VAL 14 HG11 VAL 14 14.674 -15.721 -20.490 96 HG12 VAL 14 HG12 VAL 14 15.193 -14.231 -21.283 97 HG13 VAL 14 HG13 VAL 14 13.489 -14.472 -20.893 98 HG21 VAL 14 HG21 VAL 14 13.817 -13.952 -17.199 99 HG22 VAL 14 HG22 VAL 14 13.834 -15.552 -17.947 100 HG23 VAL 14 HG23 VAL 14 12.691 -14.330 -18.507 101 H CYS 15 H CYS 15 16.294 -15.443 -16.447 102 HA CYS 15 HA CYS 15 17.378 -17.980 -17.380 103 HB2 CYS 15 HB2 CYS 15 16.503 -17.089 -14.594 104 HB3 CYS 15 HB3 CYS 15 17.318 -18.611 -14.963 105 HG CYS 15 HG CYS 15 19.732 -17.718 -15.069 106 H CYS 16 H CYS 16 14.469 -17.027 -15.530 107 HA CYS 16 HA CYS 16 12.285 -17.431 -15.747 108 HB2 CYS 16 HB2 CYS 16 12.459 -17.301 -18.157 109 HB3 CYS 16 HB3 CYS 16 12.971 -18.981 -18.253 110 HG CYS 16 HG CYS 16 10.109 -18.990 -16.700 111 H CYS 17 H CYS 17 14.224 -20.405 -16.101 112 HA CYS 17 HA CYS 17 12.207 -22.298 -15.547 113 HB2 CYS 17 HB2 CYS 17 14.338 -22.927 -16.587 114 HB3 CYS 17 HB3 CYS 17 15.213 -22.511 -15.115 115 HG CYS 17 HG CYS 17 12.831 -24.969 -15.161 116 H ALA 18 H ALA 18 14.506 -20.701 -13.332 117 HA ALA 18 HA ALA 18 13.082 -21.867 -10.995 118 HB1 ALA 18 HB1 ALA 18 15.128 -21.380 -9.692 119 HB2 ALA 18 HB2 ALA 18 15.899 -20.715 -11.134 120 HB3 ALA 18 HB3 ALA 18 15.476 -22.426 -11.068 121 HA PRO 19 HA PRO 19 11.462 -17.707 -10.058 122 HB2 PRO 19 HB2 PRO 19 11.433 -18.697 -7.216 123 HB3 PRO 19 HB3 PRO 19 10.120 -18.006 -8.182 124 HG2 PRO 19 HG2 PRO 19 10.180 -20.631 -7.689 125 HG3 PRO 19 HG3 PRO 19 9.691 -20.036 -9.291 126 HD2 PRO 19 HD2 PRO 19 12.358 -21.182 -8.429 127 HD3 PRO 19 HD3 PRO 19 11.417 -21.507 -9.907 128 H MET 20 H MET 20 13.707 -19.057 -7.606 129 HA MET 20 HA MET 20 14.856 -16.456 -6.982 130 HB2 MET 20 HB2 MET 20 15.628 -19.226 -5.969 131 HB3 MET 20 HB3 MET 20 16.176 -17.696 -5.299 132 HG2 MET 20 HG2 MET 20 13.912 -17.173 -4.561 133 HG3 MET 20 HG3 MET 20 13.300 -18.648 -5.320 134 HE1 MET 20 HE1 MET 20 12.686 -17.967 -2.265 135 HE2 MET 20 HE2 MET 20 13.001 -19.521 -1.496 136 HE3 MET 20 HE3 MET 20 12.153 -19.461 -3.039 137 H THR 21 H THR 21 15.850 -15.870 -8.965 138 HA THR 21 HA THR 21 18.438 -17.206 -9.550 139 HB THR 21 HB THR 21 18.135 -16.534 -11.988 140 HG1 THR 21 HG1 THR 21 15.384 -16.254 -11.291 141 HG21 THR 21 HG21 THR 21 17.750 -18.878 -11.297 142 HG22 THR 21 HG22 THR 21 16.666 -18.404 -12.607 143 HG23 THR 21 HG23 THR 21 16.061 -18.498 -10.952 144 H GLY 22 H GLY 22 19.241 -15.624 -8.049 145 HA2 GLY 22 HA2 GLY 22 20.620 -13.761 -7.764 146 HA3 GLY 22 HA3 GLY 22 20.020 -13.082 -9.267 147 H TRP 23 H TRP 23 17.285 -13.106 -8.793 148 HA TRP 23 HA TRP 23 15.485 -12.289 -7.755 149 HB2 TRP 23 HB2 TRP 23 16.439 -13.184 -5.618 150 HB3 TRP 23 HB3 TRP 23 17.217 -11.630 -5.350 151 HD1 TRP 23 HD1 TRP 23 13.548 -12.832 -5.997 152 HE1 TRP 23 HE1 TRP 23 12.011 -11.539 -4.398 153 HE3 TRP 23 HE3 TRP 23 17.049 -9.888 -3.692 154 HZ2 TRP 23 HZ2 TRP 23 12.239 -9.549 -2.422 155 HZ3 TRP 23 HZ3 TRP 23 16.301 -8.315 -1.947 156 HH2 TRP 23 HH2 TRP 23 13.940 -8.149 -1.325 157 H TYR 24 H TYR 24 18.373 -10.240 -7.361 158 HA TYR 24 HA TYR 24 16.935 -7.749 -7.825 159 HB2 TYR 24 HB2 TYR 24 18.897 -7.962 -6.248 160 HB3 TYR 24 HB3 TYR 24 19.942 -8.316 -7.615 161 HD1 TYR 24 HD2 TYR 24 17.540 -5.668 -6.416 162 HD2 TYR 24 HD1 TYR 24 21.162 -6.510 -8.544 163 HE1 TYR 24 HE2 TYR 24 17.958 -3.259 -6.670 164 HE2 TYR 24 HE1 TYR 24 21.578 -4.100 -8.790 165 HH TYR 24 HH TYR 24 20.207 -1.988 -8.823 166 H ARG 25 H ARG 25 16.305 -9.271 -9.890 167 HA ARG 25 HA ARG 25 16.153 -9.554 -12.110 168 HB2 ARG 25 HB2 ARG 25 15.802 -7.019 -11.757 169 HB3 ARG 25 HB3 ARG 25 17.430 -6.814 -12.393 170 HG2 ARG 25 HG2 ARG 25 16.567 -8.145 -14.462 171 HG3 ARG 25 HG3 ARG 25 14.956 -7.819 -13.820 172 HD2 ARG 25 HD2 ARG 25 15.463 -6.148 -15.473 173 HD3 ARG 25 HD3 ARG 25 15.506 -5.363 -13.893 174 HE ARG 25 HE ARG 25 17.976 -5.563 -14.009 175 HH11 ARG 25 HH11 ARG 25 16.232 -5.635 -17.000 176 HH12 ARG 25 HH12 ARG 25 17.592 -5.114 -17.922 177 HH21 ARG 25 HH21 ARG 25 19.700 -4.903 -15.229 178 HH22 ARG 25 HH22 ARG 25 19.524 -4.706 -16.934 179 H ASN 26 H ASN 26 18.360 -10.946 -11.267 180 HA ASN 26 HA ASN 26 20.636 -10.517 -13.001 181 HB2 ASN 26 HB2 ASN 26 20.924 -11.696 -10.863 182 HB3 ASN 26 HB3 ASN 26 19.803 -12.952 -11.362 183 HD21 ASN 26 HD21 ASN 26 20.520 -14.540 -12.833 184 HD22 ASN 26 HD22 ASN 26 22.188 -14.748 -13.221 185 H GLY 27 H GLY 27 17.925 -12.835 -12.949 186 HA2 GLY 27 HA2 GLY 27 18.042 -13.044 -15.910 187 HA3 GLY 27 HA3 GLY 27 17.940 -14.499 -14.923 188 H PHE 28 H PHE 28 16.086 -14.588 -13.370 189 HA PHE 28 HA PHE 28 13.608 -13.547 -14.603 190 HB2 PHE 28 HB2 PHE 28 13.791 -16.005 -14.360 191 HB3 PHE 28 HB3 PHE 28 14.067 -15.835 -12.632 192 HD1 PHE 28 HD2 PHE 28 11.531 -15.352 -15.325 193 HD2 PHE 28 HD1 PHE 28 12.216 -15.671 -11.113 194 HE1 PHE 28 HE2 PHE 28 9.107 -15.483 -14.932 195 HE2 PHE 28 HE1 PHE 28 9.790 -15.799 -10.730 196 HZ PHE 28 HZ PHE 28 8.235 -15.704 -12.638 197 H CYS 29 H CYS 29 12.270 -12.176 -13.493 198 HA CYS 29 HA CYS 29 12.303 -11.866 -10.610 199 HB2 CYS 29 HB2 CYS 29 12.858 -9.484 -10.551 200 HB3 CYS 29 HB3 CYS 29 14.181 -10.348 -11.328 201 HG CYS 29 HG CYS 29 12.917 -9.660 -13.949 202 H GLN 30 H GLN 30 10.482 -10.594 -9.829 203 HA GLN 30 HA GLN 30 8.195 -10.553 -11.649 204 HB2 GLN 30 HB2 GLN 30 8.002 -11.477 -9.345 205 HB3 GLN 30 HB3 GLN 30 8.366 -9.892 -8.675 206 HG2 GLN 30 HG2 GLN 30 6.274 -9.007 -9.668 207 HG3 GLN 30 HG3 GLN 30 5.917 -10.600 -10.329 208 HE21 GLN 30 HE21 GLN 30 4.386 -8.964 -8.433 209 HE22 GLN 30 HE22 GLN 30 4.175 -9.935 -7.022 210 H THR 31 H THR 31 9.372 -8.842 -12.940 211 HA THR 31 HA THR 31 7.905 -6.456 -12.804 212 HB THR 31 HB THR 31 9.318 -5.586 -11.057 213 HG1 THR 31 HG1 THR 31 10.528 -4.290 -13.223 214 HG21 THR 31 HG21 THR 31 11.764 -5.343 -11.192 215 HG22 THR 31 HG22 THR 31 11.777 -6.177 -12.747 216 HG23 THR 31 HG23 THR 31 11.304 -7.048 -11.287 217 H ASP 32 H ASP 32 11.214 -7.337 -13.935 218 HA ASP 32 HA ASP 32 10.488 -6.479 -16.672 219 HB2 ASP 32 HB2 ASP 32 13.186 -6.673 -15.263 220 HB3 ASP 32 HB3 ASP 32 13.027 -6.396 -16.995 221 H VAL 33 H VAL 33 10.111 -8.078 -18.064 222 HA VAL 33 HA VAL 33 10.775 -10.836 -17.579 223 HB VAL 33 HB VAL 33 9.707 -11.293 -19.767 224 HG11 VAL 33 HG11 VAL 33 8.108 -9.322 -18.088 225 HG12 VAL 33 HG12 VAL 33 8.261 -11.054 -17.784 226 HG13 VAL 33 HG13 VAL 33 7.429 -10.484 -19.232 227 HG21 VAL 33 HG21 VAL 33 10.512 -9.322 -21.041 228 HG22 VAL 33 HG22 VAL 33 9.473 -8.265 -20.079 229 HG23 VAL 33 HG23 VAL 33 8.752 -9.465 -21.156 230 H GLN 34 H GLN 34 12.069 -8.255 -19.614 231 HA GLN 34 HA GLN 34 14.666 -9.232 -19.911 232 HB2 GLN 34 HB2 GLN 34 13.565 -10.971 -21.366 233 HB3 GLN 34 HB3 GLN 34 13.000 -9.691 -22.433 234 HG2 GLN 34 HG2 GLN 34 15.346 -9.096 -22.950 235 HG3 GLN 34 HG3 GLN 34 15.897 -10.364 -21.860 236 HE21 GLN 34 HE21 GLN 34 14.337 -9.711 -24.921 237 HE22 GLN 34 HE22 GLN 34 14.578 -11.280 -25.599 238 H ASP 35 H ASP 35 12.224 -7.618 -21.999 239 HA ASP 35 HA ASP 35 13.868 -5.462 -22.867 240 HB2 ASP 35 HB2 ASP 35 11.914 -6.186 -24.160 241 HB3 ASP 35 HB3 ASP 35 10.835 -5.790 -22.830 242 H ARG 36 H ARG 36 13.616 -3.193 -22.388 243 HA ARG 36 HA ARG 36 13.913 -2.538 -19.674 244 HB2 ARG 36 HB2 ARG 36 13.998 -0.172 -20.451 245 HB3 ARG 36 HB3 ARG 36 14.985 -1.238 -21.447 246 HG2 ARG 36 HG2 ARG 36 13.256 -1.251 -23.192 247 HG3 ARG 36 HG3 ARG 36 12.216 -0.234 -22.195 248 HD2 ARG 36 HD2 ARG 36 14.052 1.529 -22.278 249 HD3 ARG 36 HD3 ARG 36 14.858 0.519 -23.488 250 HE ARG 36 HE ARG 36 12.081 1.259 -24.033 251 HH11 ARG 36 HH11 ARG 36 15.420 1.943 -24.710 252 HH12 ARG 36 HH12 ARG 36 15.041 2.872 -26.116 253 HH21 ARG 36 HH21 ARG 36 11.638 2.457 -25.804 254 HH22 ARG 36 HH22 ARG 36 12.918 3.177 -26.716 255 H GLY 37 H GLY 37 12.440 -2.286 -18.114 256 HA2 GLY 37 HA2 GLY 37 9.798 -1.045 -18.689 257 HA3 GLY 37 HA3 GLY 37 9.959 -2.456 -17.648 258 H SER 38 H SER 38 10.759 -2.224 -15.553 259 HA SER 38 HA SER 38 11.131 -1.305 -13.526 260 HB2 SER 38 HB2 SER 38 12.526 0.874 -15.124 261 HB3 SER 38 HB3 SER 38 12.649 0.686 -13.376 262 HG SER 38 HG SER 38 13.787 -0.788 -15.417 263 H HIS 39 H HIS 39 10.806 0.686 -12.055 264 HA HIS 39 HA HIS 39 9.360 2.068 -10.990 265 HB2 HIS 39 HB2 HIS 39 9.174 3.178 -13.808 266 HB3 HIS 39 HB3 HIS 39 8.298 3.922 -12.477 267 HD1 HIS 39 HD1 HIS 39 11.385 4.259 -14.224 268 HD2 HIS 39 HD2 HIS 39 10.250 4.572 -10.240 269 HE1 HIS 39 HE1 HIS 39 13.193 5.596 -13.114 270 HE2 HIS 39 HE2 HIS 39 12.377 5.942 -10.762 271 H THR 40 H THR 40 8.337 -0.463 -11.711 272 HA THR 40 HA THR 40 5.500 -0.145 -12.432 273 HB THR 40 HB THR 40 5.566 -2.664 -12.600 274 HG1 THR 40 HG1 THR 40 7.715 -3.615 -12.491 275 HG21 THR 40 HG21 THR 40 7.787 -1.307 -14.171 276 HG22 THR 40 HG22 THR 40 6.079 -1.322 -14.626 277 HG23 THR 40 HG23 THR 40 6.995 -2.830 -14.589 278 H VAL 41 H VAL 41 4.073 0.119 -10.708 279 HA VAL 41 HA VAL 41 4.305 -1.696 -8.381 280 HB VAL 41 HB VAL 41 3.594 1.257 -8.034 281 HG11 VAL 41 HG11 VAL 41 3.943 -0.943 -5.953 282 HG12 VAL 41 HG12 VAL 41 2.413 -0.209 -6.440 283 HG13 VAL 41 HG13 VAL 41 3.626 0.758 -5.602 284 HG21 VAL 41 HG21 VAL 41 6.162 -0.157 -7.204 285 HG22 VAL 41 HG22 VAL 41 5.722 1.495 -6.762 286 HG23 VAL 41 HG23 VAL 41 6.011 1.082 -8.454 287 H CYS 42 H CYS 42 2.512 -2.918 -8.445 288 HA CYS 42 HA CYS 42 -0.167 -1.638 -8.720 289 HB2 CYS 42 HB2 CYS 42 0.531 -4.600 -9.053 290 HB3 CYS 42 HB3 CYS 42 -1.044 -3.857 -9.326 291 HG CYS 42 HG CYS 42 1.620 -4.047 -11.326 292 H ALA 43 H ALA 43 -0.898 -1.238 -6.650 293 HA ALA 43 HA ALA 43 -0.647 -3.306 -4.556 294 HB1 ALA 43 HB1 ALA 43 0.042 -1.619 -2.875 295 HB2 ALA 43 HB2 ALA 43 0.100 -0.374 -4.126 296 HB3 ALA 43 HB3 ALA 43 1.234 -1.726 -4.173 297 H GLU 44 H GLU 44 -2.363 -3.119 -2.929 298 HA GLU 44 HA GLU 44 -4.672 -1.620 -4.029 299 HB2 GLU 44 HB2 GLU 44 -4.673 -4.170 -4.293 300 HB3 GLU 44 HB3 GLU 44 -4.915 -4.257 -2.547 301 HG2 GLU 44 HG2 GLU 44 -6.975 -2.982 -2.734 302 HG3 GLU 44 HG3 GLU 44 -6.685 -2.729 -4.462 303 H MET 45 H MET 45 -5.278 -0.028 -2.772 304 HA MET 45 HA MET 45 -5.106 -0.242 0.168 305 HB2 MET 45 HB2 MET 45 -5.817 2.326 -1.335 306 HB3 MET 45 HB3 MET 45 -5.161 2.117 0.287 307 HG2 MET 45 HG2 MET 45 -3.630 1.562 -2.261 308 HG3 MET 45 HG3 MET 45 -3.447 2.986 -1.246 309 HE1 MET 45 HE1 MET 45 -2.556 2.852 1.312 310 HE2 MET 45 HE2 MET 45 -2.023 1.347 2.060 311 HE3 MET 45 HE3 MET 45 -3.728 1.584 1.682 312 H THR 46 H THR 46 -6.913 -0.699 1.237 313 HA THR 46 HA THR 46 -9.499 -0.837 -0.059 314 HB THR 46 HB THR 46 -10.298 -1.736 2.125 315 HG1 THR 46 HG1 THR 46 -8.662 -2.024 3.804 316 HG21 THR 46 HG21 THR 46 -7.644 -2.989 1.298 317 HG22 THR 46 HG22 THR 46 -9.217 -3.340 0.571 318 HG23 THR 46 HG23 THR 46 -8.901 -3.773 2.254 319 H GLU 47 H GLU 47 -11.449 0.064 1.104 320 HA GLU 47 HA GLU 47 -11.382 2.861 1.242 321 HB2 GLU 47 HB2 GLU 47 -13.418 1.434 0.787 322 HB3 GLU 47 HB3 GLU 47 -13.518 1.104 2.512 323 HG2 GLU 47 HG2 GLU 47 -13.819 3.522 2.958 324 HG3 GLU 47 HG3 GLU 47 -13.699 3.843 1.227 325 H GLU 48 H GLU 48 -10.931 0.462 3.722 326 HA GLU 48 HA GLU 48 -11.287 1.770 6.096 327 HB2 GLU 48 HB2 GLU 48 -10.744 -0.627 5.784 328 HB3 GLU 48 HB3 GLU 48 -9.107 -0.202 5.303 329 HG2 GLU 48 HG2 GLU 48 -9.170 -1.034 7.581 330 HG3 GLU 48 HG3 GLU 48 -8.645 0.646 7.518 331 H PHE 49 H PHE 49 -8.105 1.680 4.294 332 HA PHE 49 HA PHE 49 -6.904 3.694 5.958 333 HB2 PHE 49 HB2 PHE 49 -5.415 2.161 4.829 334 HB3 PHE 49 HB3 PHE 49 -6.042 2.622 3.247 335 HD1 PHE 49 HD2 PHE 49 -4.533 4.351 6.261 336 HD2 PHE 49 HD1 PHE 49 -4.648 4.059 1.987 337 HE1 PHE 49 HE2 PHE 49 -2.827 6.115 6.084 338 HE2 PHE 49 HE1 PHE 49 -2.949 5.830 1.827 339 HZ PHE 49 HZ PHE 49 -2.034 6.856 3.872 340 H LEU 50 H LEU 50 -8.566 3.860 2.804 341 HA LEU 50 HA LEU 50 -7.883 6.580 2.254 342 HB2 LEU 50 HB2 LEU 50 -9.896 4.639 1.108 343 HB3 LEU 50 HB3 LEU 50 -9.983 6.317 0.657 344 HG LEU 50 HG LEU 50 -7.675 6.242 -0.230 345 HD11 LEU 50 HD11 LEU 50 -6.528 4.121 -0.554 346 HD12 LEU 50 HD12 LEU 50 -7.788 3.277 0.346 347 HD13 LEU 50 HD13 LEU 50 -6.762 4.460 1.160 348 HD21 LEU 50 HD21 LEU 50 -9.557 5.920 -1.753 349 HD22 LEU 50 HD22 LEU 50 -9.555 4.185 -1.432 350 HD23 LEU 50 HD23 LEU 50 -8.185 4.931 -2.258 351 H LEU 51 H LEU 51 -10.368 5.161 4.249 352 HA LEU 51 HA LEU 51 -11.907 7.556 4.729 353 HB2 LEU 51 HB2 LEU 51 -11.759 4.840 6.071 354 HB3 LEU 51 HB3 LEU 51 -12.674 6.137 6.804 355 HG LEU 51 HG LEU 51 -13.235 5.007 4.040 356 HD11 LEU 51 HD11 LEU 51 -13.728 3.346 5.764 357 HD12 LEU 51 HD12 LEU 51 -15.215 3.957 5.043 358 HD13 LEU 51 HD13 LEU 51 -14.717 4.516 6.646 359 HD21 LEU 51 HD21 LEU 51 -13.910 7.359 4.248 360 HD22 LEU 51 HD22 LEU 51 -14.831 6.987 5.708 361 HD23 LEU 51 HD23 LEU 51 -15.323 6.309 4.152 362 H PHE 52 H PHE 52 -9.158 5.927 6.316 363 HA PHE 52 HA PHE 52 -8.800 7.658 8.518 364 HB2 PHE 52 HB2 PHE 52 -7.581 5.545 8.331 365 HB3 PHE 52 HB3 PHE 52 -6.754 6.097 6.881 366 HD1 PHE 52 HD1 PHE 52 -7.126 6.849 10.541 367 HD2 PHE 52 HD2 PHE 52 -4.632 7.155 7.071 368 HE1 PHE 52 HE1 PHE 52 -5.288 7.709 11.928 369 HE2 PHE 52 HE2 PHE 52 -2.808 8.021 8.470 370 HZ PHE 52 HZ PHE 52 -3.129 8.292 10.897 371 H SER 53 H SER 53 -7.339 7.784 5.269 372 HA SER 53 HA SER 53 -5.964 10.220 5.423 373 HB2 SER 53 HB2 SER 53 -7.265 8.967 2.965 374 HB3 SER 53 HB3 SER 53 -5.954 10.152 2.953 375 HG SER 53 HG SER 53 -5.910 7.431 3.589 376 H ARG 54 H ARG 54 -9.341 9.529 4.689 377 HA ARG 54 HA ARG 54 -10.212 12.067 3.850 378 HB2 ARG 54 HB2 ARG 54 -11.576 10.103 3.502 379 HB3 ARG 54 HB3 ARG 54 -11.674 9.798 5.230 380 HG2 ARG 54 HG2 ARG 54 -13.044 11.843 5.517 381 HG3 ARG 54 HG3 ARG 54 -12.953 12.143 3.778 382 HD2 ARG 54 HD2 ARG 54 -14.213 10.148 3.291 383 HD3 ARG 54 HD3 ARG 54 -14.091 9.589 4.964 384 HE ARG 54 HE ARG 54 -15.578 12.055 4.299 385 HH11 ARG 54 HH11 ARG 54 -15.534 8.904 5.729 386 HH12 ARG 54 HH12 ARG 54 -17.142 9.041 6.348 387 HH21 ARG 54 HH21 ARG 54 -17.638 12.219 5.122 388 HH22 ARG 54 HH22 ARG 54 -18.311 10.903 6.024 389 H ASP 55 H ASP 55 -10.318 10.657 7.217 390 HA ASP 55 HA ASP 55 -11.188 13.179 8.334 391 HB2 ASP 55 HB2 ASP 55 -10.975 12.126 10.545 392 HB3 ASP 55 HB3 ASP 55 -11.880 11.118 9.425 393 H ARG 56 H ARG 56 -8.073 12.003 7.459 394 HA ARG 56 HA ARG 56 -6.559 13.737 9.212 395 HB2 ARG 56 HB2 ARG 56 -5.722 12.300 6.666 396 HB3 ARG 56 HB3 ARG 56 -4.627 13.239 7.667 397 HG2 ARG 56 HG2 ARG 56 -6.040 10.671 8.455 398 HG3 ARG 56 HG3 ARG 56 -4.327 10.875 8.107 399 HD2 ARG 56 HD2 ARG 56 -4.410 10.807 10.461 400 HD3 ARG 56 HD3 ARG 56 -4.321 12.535 10.106 401 HE ARG 56 HE ARG 56 -6.942 11.269 10.563 402 HH11 ARG 56 HH11 ARG 56 -4.554 13.535 11.672 403 HH12 ARG 56 HH12 ARG 56 -5.641 14.245 12.813 404 HH21 ARG 56 HH21 ARG 56 -8.265 12.190 12.022 405 HH22 ARG 56 HH22 ARG 56 -7.696 13.486 13.020 406 H GLY 57 H GLY 57 -8.397 14.345 6.360 407 HA2 GLY 57 HA2 GLY 57 -8.689 16.927 6.334 408 HA3 GLY 57 HA3 GLY 57 -7.003 16.922 5.854 409 H ASN 58 H ASN 58 -8.665 14.269 4.493 410 HA ASN 58 HA ASN 58 -9.012 15.714 1.908 411 HB2 ASN 58 HB2 ASN 58 -8.157 12.811 2.322 412 HB3 ASN 58 HB3 ASN 58 -8.325 13.633 0.772 413 HD21 ASN 58 HD21 ASN 58 -7.046 16.121 1.630 414 HD22 ASN 58 HD22 ASN 58 -5.374 15.747 1.815 415 H ASP 59 H ASP 59 -10.326 14.008 0.353 416 HA ASP 59 HA ASP 59 -12.311 12.377 1.670 417 HB2 ASP 59 HB2 ASP 59 -14.304 13.496 0.623 418 HB3 ASP 59 HB3 ASP 59 -13.528 14.468 1.863 419 H LEU 60 H LEU 60 -11.334 10.721 0.562 420 HA LEU 60 HA LEU 60 -10.764 10.767 -2.258 421 HB2 LEU 60 HB2 LEU 60 -10.681 8.487 -0.236 422 HB3 LEU 60 HB3 LEU 60 -10.151 8.334 -1.900 423 HG LEU 60 HG LEU 60 -8.179 8.579 -0.564 424 HD11 LEU 60 HD11 LEU 60 -8.096 9.785 -2.672 425 HD12 LEU 60 HD12 LEU 60 -7.120 10.592 -1.448 426 HD13 LEU 60 HD13 LEU 60 -8.698 11.249 -1.889 427 HD21 LEU 60 HD21 LEU 60 -7.747 10.445 0.979 428 HD22 LEU 60 HD22 LEU 60 -9.145 9.498 1.481 429 HD23 LEU 60 HD23 LEU 60 -9.379 11.065 0.703 430 H MET 61 H MET 61 -13.427 9.628 -0.302 431 HA MET 61 HA MET 61 -14.813 8.163 -2.364 432 HB2 MET 61 HB2 MET 61 -15.908 9.385 0.209 433 HB3 MET 61 HB3 MET 61 -16.732 8.193 -0.801 434 HG2 MET 61 HG2 MET 61 -15.804 7.063 1.100 435 HG3 MET 61 HG3 MET 61 -14.867 6.595 -0.324 436 HE1 MET 61 HE1 MET 61 -12.607 5.921 0.487 437 HE2 MET 61 HE2 MET 61 -13.399 5.771 2.058 438 HE3 MET 61 HE3 MET 61 -11.840 6.576 1.931 439 H THR 62 H THR 62 -14.666 11.459 -1.231 440 HA THR 62 HA THR 62 -15.365 13.451 -1.974 441 HB THR 62 HB THR 62 -15.888 12.045 -4.630 442 HG1 THR 62 HG1 THR 62 -13.660 12.037 -3.496 443 HG21 THR 62 HG21 THR 62 -15.472 14.257 -5.658 444 HG22 THR 62 HG22 THR 62 -15.315 14.977 -4.054 445 HG23 THR 62 HG23 THR 62 -16.868 14.320 -4.573 446 HA PRO 63 HA PRO 63 -19.957 12.876 -1.414 447 HB2 PRO 63 HB2 PRO 63 -20.223 14.035 0.994 448 HB3 PRO 63 HB3 PRO 63 -19.578 12.390 0.865 449 HG2 PRO 63 HG2 PRO 63 -18.086 14.981 1.277 450 HG3 PRO 63 HG3 PRO 63 -17.823 13.410 2.060 451 HD2 PRO 63 HD2 PRO 63 -16.368 14.375 -0.134 452 HD3 PRO 63 HD3 PRO 63 -16.470 12.666 0.339 453 H ARG 64 H ARG 64 -18.883 14.569 -3.209 454 HA ARG 64 HA ARG 64 -19.532 17.367 -2.550 455 HB2 ARG 64 HB2 ARG 64 -17.153 16.951 -1.964 456 HB3 ARG 64 HB3 ARG 64 -16.878 16.282 -3.562 457 HG2 ARG 64 HG2 ARG 64 -17.548 18.631 -4.442 458 HG3 ARG 64 HG3 ARG 64 -17.289 19.163 -2.776 459 HD2 ARG 64 HD2 ARG 64 -15.250 17.808 -4.578 460 HD3 ARG 64 HD3 ARG 64 -15.281 19.516 -4.139 461 HE ARG 64 HE ARG 64 -14.906 17.410 -2.090 462 HH11 ARG 64 HH11 ARG 64 -13.791 20.321 -3.605 463 HH12 ARG 64 HH12 ARG 64 -12.426 20.460 -2.557 464 HH21 ARG 64 HH21 ARG 64 -13.156 17.606 -0.808 465 HH22 ARG 64 HH22 ARG 64 -12.068 18.933 -1.005 466 HA PRO 65 HA PRO 65 -21.085 16.966 -6.822 467 HB2 PRO 65 HB2 PRO 65 -21.742 19.581 -7.303 468 HB3 PRO 65 HB3 PRO 65 -22.703 18.532 -6.249 469 HG2 PRO 65 HG2 PRO 65 -20.611 20.575 -5.488 470 HG3 PRO 65 HG3 PRO 65 -22.213 20.301 -4.769 471 HD2 PRO 65 HD2 PRO 65 -19.929 19.328 -3.638 472 HD3 PRO 65 HD3 PRO 65 -21.472 18.461 -3.517 473 H GLU 66 H GLU 66 -18.427 19.081 -5.940 474 HA GLU 66 HA GLU 66 -17.601 19.786 -8.608 475 HB2 GLU 66 HB2 GLU 66 -16.130 19.968 -5.949 476 HB3 GLU 66 HB3 GLU 66 -15.532 20.645 -7.461 477 HG2 GLU 66 HG2 GLU 66 -18.122 21.452 -6.095 478 HG3 GLU 66 HG3 GLU 66 -16.597 22.326 -5.958 479 H PHE 67 H PHE 67 -15.458 19.190 -9.510 480 HA PHE 67 HA PHE 67 -15.365 16.263 -9.630 481 HB2 PHE 67 HB2 PHE 67 -14.162 18.346 -11.497 482 HB3 PHE 67 HB3 PHE 67 -14.255 16.614 -11.808 483 HD1 PHE 67 HD1 PHE 67 -16.504 15.535 -12.202 484 HD2 PHE 67 HD2 PHE 67 -16.088 19.784 -11.884 485 HE1 PHE 67 HE1 PHE 67 -18.728 15.836 -13.205 486 HE2 PHE 67 HE2 PHE 67 -18.312 20.068 -12.893 487 HZ PHE 67 HZ PHE 67 -19.635 18.099 -13.550 488 H ASN 68 H ASN 68 -14.184 16.898 -7.339 489 HA ASN 68 HA ASN 68 -11.274 17.144 -7.663 490 HB2 ASN 68 HB2 ASN 68 -13.056 17.125 -5.191 491 HB3 ASN 68 HB3 ASN 68 -11.298 17.252 -5.126 492 HD21 ASN 68 HD21 ASN 68 -10.310 19.170 -5.821 493 HD22 ASN 68 HD22 ASN 68 -11.206 20.629 -6.046 494 H PHE 69 H PHE 69 -13.372 14.607 -7.811 495 HA PHE 69 HA PHE 69 -12.160 12.651 -6.118 496 HB2 PHE 69 HB2 PHE 69 -13.539 11.003 -7.467 497 HB3 PHE 69 HB3 PHE 69 -14.456 12.297 -6.716 498 HD1 PHE 69 HD2 PHE 69 -13.296 10.906 -9.962 499 HD2 PHE 69 HD1 PHE 69 -15.608 13.987 -8.088 500 HE1 PHE 69 HE2 PHE 69 -14.335 11.452 -12.122 501 HE2 PHE 69 HE1 PHE 69 -16.641 14.513 -10.255 502 HZ PHE 69 HZ PHE 69 -16.006 13.250 -12.271 503 HA PRO 70 HA PRO 70 -8.808 11.412 -9.008 504 HB2 PRO 70 HB2 PRO 70 -7.612 9.512 -7.488 505 HB3 PRO 70 HB3 PRO 70 -7.467 11.235 -7.104 506 HG2 PRO 70 HG2 PRO 70 -9.289 9.169 -5.866 507 HG3 PRO 70 HG3 PRO 70 -8.328 10.429 -5.064 508 HD2 PRO 70 HD2 PRO 70 -11.034 10.682 -5.610 509 HD3 PRO 70 HD3 PRO 70 -9.930 12.066 -5.449 510 H GLY 71 H GLY 71 -8.346 9.607 -10.392 511 HA2 GLY 71 HA2 GLY 71 -10.553 8.064 -11.235 512 HA3 GLY 71 HA3 GLY 71 -8.900 7.870 -11.784 513 H LEU 72 H LEU 72 -7.740 7.134 -9.271 514 HA LEU 72 HA LEU 72 -8.399 4.339 -9.113 515 HB2 LEU 72 HB2 LEU 72 -6.466 6.069 -7.525 516 HB3 LEU 72 HB3 LEU 72 -6.702 4.369 -7.167 517 HG LEU 72 HG LEU 72 -4.700 4.558 -8.471 518 HD11 LEU 72 HD11 LEU 72 -6.093 2.618 -8.978 519 HD12 LEU 72 HD12 LEU 72 -5.167 3.132 -10.386 520 HD13 LEU 72 HD13 LEU 72 -6.890 3.509 -10.280 521 HD21 LEU 72 HD21 LEU 72 -6.271 6.095 -10.566 522 HD22 LEU 72 HD22 LEU 72 -4.594 5.560 -10.714 523 HD23 LEU 72 HD23 LEU 72 -5.031 6.749 -9.491 524 H LYS 73 H LYS 73 -9.883 3.406 -7.879 525 HA LYS 73 HA LYS 73 -11.241 4.890 -5.724 526 HB2 LYS 73 HB2 LYS 73 -12.067 2.277 -7.067 527 HB3 LYS 73 HB3 LYS 73 -13.049 3.263 -5.988 528 HG2 LYS 73 HG2 LYS 73 -12.146 3.995 -8.797 529 HG3 LYS 73 HG3 LYS 73 -13.775 3.522 -8.310 530 HD2 LYS 73 HD2 LYS 73 -12.313 6.038 -7.398 531 HD3 LYS 73 HD3 LYS 73 -13.561 5.980 -8.641 532 HE2 LYS 73 HE2 LYS 73 -15.235 5.322 -6.991 533 HE3 LYS 73 HE3 LYS 73 -14.005 5.192 -5.733 534 HZ1 LYS 73 HZ1 LYS 73 -14.719 7.692 -7.160 535 HZ2 LYS 73 HZ2 LYS 73 -13.622 7.545 -5.880 536 HZ3 LYS 73 HZ3 LYS 73 -15.271 7.256 -5.622 537 H ALA 74 H ALA 74 -12.078 3.348 -3.937 538 HA ALA 74 HA ALA 74 -9.833 2.230 -2.552 539 HB1 ALA 74 HB1 ALA 74 -11.601 3.439 -1.376 540 HB2 ALA 74 HB2 ALA 74 -11.450 1.795 -0.758 541 HB3 ALA 74 HB3 ALA 74 -12.780 2.210 -1.843 542 H GLY 75 H GLY 75 -9.001 0.352 -3.227 543 HA2 GLY 75 HA2 GLY 75 -9.064 -2.039 -3.082 544 HA3 GLY 75 HA3 GLY 75 -10.741 -2.022 -3.591 545 H ASP 76 H ASP 76 -8.393 0.004 -5.253 546 HA ASP 76 HA ASP 76 -8.298 -1.872 -7.543 547 HB2 ASP 76 HB2 ASP 76 -7.886 1.136 -7.367 548 HB3 ASP 76 HB3 ASP 76 -7.343 0.221 -8.769 549 H ARG 77 H ARG 77 -6.586 -3.225 -7.310 550 HA ARG 77 HA ARG 77 -3.906 -2.247 -6.694 551 HB2 ARG 77 HB2 ARG 77 -3.259 -4.638 -7.468 552 HB3 ARG 77 HB3 ARG 77 -4.225 -4.488 -6.006 553 HG2 ARG 77 HG2 ARG 77 -6.266 -5.049 -7.295 554 HG3 ARG 77 HG3 ARG 77 -5.291 -5.220 -8.757 555 HD2 ARG 77 HD2 ARG 77 -4.096 -7.115 -7.791 556 HD3 ARG 77 HD3 ARG 77 -4.923 -6.892 -6.248 557 HE ARG 77 HE ARG 77 -7.004 -7.513 -7.363 558 HH11 ARG 77 HH11 ARG 77 -4.096 -8.403 -9.042 559 HH12 ARG 77 HH12 ARG 77 -4.875 -9.688 -9.895 560 HH21 ARG 77 HH21 ARG 77 -7.949 -9.143 -8.456 561 HH22 ARG 77 HH22 ARG 77 -7.040 -10.103 -9.563 562 H TRP 78 H TRP 78 -3.556 -0.627 -8.185 563 HA TRP 78 HA TRP 78 -2.646 -1.231 -10.824 564 HB2 TRP 78 HB2 TRP 78 -5.088 -1.436 -11.269 565 HB3 TRP 78 HB3 TRP 78 -5.360 0.171 -10.611 566 HD1 TRP 78 HD1 TRP 78 -5.098 2.208 -12.292 567 HE1 TRP 78 HE1 TRP 78 -4.509 2.410 -14.783 568 HE3 TRP 78 HE3 TRP 78 -3.541 -2.595 -13.159 569 HZ2 TRP 78 HZ2 TRP 78 -3.516 0.770 -16.845 570 HZ3 TRP 78 HZ3 TRP 78 -2.788 -3.195 -15.424 571 HH2 TRP 78 HH2 TRP 78 -2.776 -1.546 -17.232 572 H CYS 79 H CYS 79 -1.010 0.203 -10.999 573 HA CYS 79 HA CYS 79 0.229 2.107 -11.097 574 HB2 CYS 79 HB2 CYS 79 -1.571 2.666 -12.728 575 HB3 CYS 79 HB3 CYS 79 -2.475 3.462 -11.441 576 HG CYS 79 HG CYS 79 0.415 4.863 -11.347 577 H LEU 80 H LEU 80 -0.898 1.347 -8.377 578 HA LEU 80 HA LEU 80 -1.464 3.739 -6.925 579 HB2 LEU 80 HB2 LEU 80 -2.331 1.452 -6.284 580 HB3 LEU 80 HB3 LEU 80 -0.697 0.967 -5.882 581 HG LEU 80 HG LEU 80 -2.325 1.566 -3.953 582 HD11 LEU 80 HD11 LEU 80 -0.581 2.475 -2.515 583 HD12 LEU 80 HD12 LEU 80 0.402 2.873 -3.922 584 HD13 LEU 80 HD13 LEU 80 0.052 1.189 -3.541 585 HD21 LEU 80 HD21 LEU 80 -2.506 3.910 -3.300 586 HD22 LEU 80 HD22 LEU 80 -3.203 3.659 -4.899 587 HD23 LEU 80 HD23 LEU 80 -1.612 4.410 -4.740 588 H CYS 81 H CYS 81 -0.033 5.216 -6.230 589 HA CYS 81 HA CYS 81 2.783 5.055 -6.400 590 HB2 CYS 81 HB2 CYS 81 1.575 7.202 -6.334 591 HB3 CYS 81 HB3 CYS 81 1.052 6.879 -4.682 592 HG CYS 81 HG CYS 81 3.020 8.065 -3.593 593 H ALA 82 H ALA 82 4.050 3.724 -5.239 594 HA ALA 82 HA ALA 82 3.178 2.070 -3.167 595 HB1 ALA 82 HB1 ALA 82 5.034 1.514 -4.693 596 HB2 ALA 82 HB2 ALA 82 5.499 1.298 -3.005 597 HB3 ALA 82 HB3 ALA 82 6.048 2.717 -3.896 598 H SER 83 H SER 83 4.680 5.237 -2.897 599 HA SER 83 HA SER 83 5.459 5.129 -0.151 600 HB2 SER 83 HB2 SER 83 5.561 7.617 -0.327 601 HB3 SER 83 HB3 SER 83 6.374 6.817 -1.672 602 HG SER 83 HG SER 83 4.953 8.600 -2.236 603 H ARG 84 H ARG 84 2.404 5.908 -1.753 604 HA ARG 84 HA ARG 84 1.006 6.883 0.563 605 HB2 ARG 84 HB2 ARG 84 0.329 7.407 -1.791 606 HB3 ARG 84 HB3 ARG 84 -0.149 5.725 -2.014 607 HG2 ARG 84 HG2 ARG 84 -1.908 5.977 -0.316 608 HG3 ARG 84 HG3 ARG 84 -1.390 7.634 0.005 609 HD2 ARG 84 HD2 ARG 84 -2.516 6.611 -2.630 610 HD3 ARG 84 HD3 ARG 84 -3.407 7.554 -1.430 611 HE ARG 84 HE ARG 84 -0.982 8.688 -2.688 612 HH11 ARG 84 HH11 ARG 84 -4.414 8.928 -2.180 613 HH12 ARG 84 HH12 ARG 84 -4.508 10.490 -2.913 614 HH21 ARG 84 HH21 ARG 84 -1.155 10.686 -3.599 615 HH22 ARG 84 HH22 ARG 84 -2.694 11.463 -3.709 616 H TRP 85 H TRP 85 1.486 3.688 -0.871 617 HA TRP 85 HA TRP 85 -0.233 2.194 0.864 618 HB2 TRP 85 HB2 TRP 85 0.318 0.940 -1.009 619 HB3 TRP 85 HB3 TRP 85 1.967 1.546 -1.071 620 HD1 TRP 85 HD1 TRP 85 3.585 -0.334 -0.718 621 HE1 TRP 85 HE1 TRP 85 3.794 -2.375 0.833 622 HE3 TRP 85 HE3 TRP 85 -0.953 -0.094 1.573 623 HZ2 TRP 85 HZ2 TRP 85 2.227 -3.736 2.723 624 HZ3 TRP 85 HZ3 TRP 85 -1.537 -1.808 3.220 625 HH2 TRP 85 HH2 TRP 85 0.022 -3.586 3.779 626 H GLN 86 H GLN 86 3.296 2.709 0.927 627 HA GLN 86 HA GLN 86 3.906 1.599 3.399 628 HB2 GLN 86 HB2 GLN 86 5.557 2.247 1.680 629 HB3 GLN 86 HB3 GLN 86 5.233 3.943 1.983 630 HG2 GLN 86 HG2 GLN 86 7.364 3.106 2.977 631 HG3 GLN 86 HG3 GLN 86 6.276 3.856 4.145 632 HE21 GLN 86 HE21 GLN 86 5.375 2.540 5.758 633 HE22 GLN 86 HE22 GLN 86 5.913 0.936 6.057 634 H GLU 87 H GLU 87 2.712 4.851 2.671 635 HA GLU 87 HA GLU 87 2.963 6.191 5.091 636 HB2 GLU 87 HB2 GLU 87 2.097 7.218 3.007 637 HB3 GLU 87 HB3 GLU 87 0.619 6.280 3.148 638 HG2 GLU 87 HG2 GLU 87 0.175 8.544 3.845 639 HG3 GLU 87 HG3 GLU 87 0.072 7.490 5.254 640 H ALA 88 H ALA 88 0.534 3.795 4.149 641 HA ALA 88 HA ALA 88 -1.212 4.082 6.372 642 HB1 ALA 88 HB1 ALA 88 -1.900 3.093 4.239 643 HB2 ALA 88 HB2 ALA 88 -2.236 2.008 5.590 644 HB3 ALA 88 HB3 ALA 88 -0.848 1.705 4.531 645 H PHE 89 H PHE 89 1.595 1.923 5.819 646 HA PHE 89 HA PHE 89 1.379 0.443 8.253 647 HB2 PHE 89 HB2 PHE 89 2.785 -0.356 6.414 648 HB3 PHE 89 HB3 PHE 89 3.815 1.069 6.531 649 HD1 PHE 89 HD2 PHE 89 2.605 -1.797 8.660 650 HD2 PHE 89 HD1 PHE 89 5.839 0.858 7.762 651 HE1 PHE 89 HE2 PHE 89 4.036 -2.987 10.261 652 HE2 PHE 89 HE1 PHE 89 7.260 -0.340 9.374 653 HZ PHE 89 HZ PHE 89 6.361 -2.263 10.622 654 H GLU 90 H GLU 90 3.222 3.341 7.357 655 HA GLU 90 HA GLU 90 4.408 3.875 9.887 656 HB2 GLU 90 HB2 GLU 90 3.811 5.740 7.547 657 HB3 GLU 90 HB3 GLU 90 4.913 6.106 8.877 658 HG2 GLU 90 HG2 GLU 90 6.418 4.336 8.215 659 HG3 GLU 90 HG3 GLU 90 5.273 3.734 7.018 660 H ALA 91 H ALA 91 1.238 4.490 8.636 661 HA ALA 91 HA ALA 91 0.355 6.286 10.738 662 HB1 ALA 91 HB1 ALA 91 -0.662 6.341 8.493 663 HB2 ALA 91 HB2 ALA 91 -1.873 5.968 9.722 664 HB3 ALA 91 HB3 ALA 91 -1.229 4.682 8.696 665 H GLY 92 H GLY 92 0.538 2.826 10.228 666 HA2 GLY 92 HA2 GLY 92 0.614 1.377 12.173 667 HA3 GLY 92 HA3 GLY 92 -0.679 2.320 12.895 668 H MET 93 H MET 93 -1.740 2.137 9.859 669 HA MET 93 HA MET 93 -3.617 -0.028 10.488 670 HB2 MET 93 HB2 MET 93 -3.695 1.883 8.119 671 HB3 MET 93 HB3 MET 93 -5.018 0.902 8.738 672 HG2 MET 93 HG2 MET 93 -5.052 2.263 10.791 673 HG3 MET 93 HG3 MET 93 -3.719 3.234 10.167 674 HE1 MET 93 HE1 MET 93 -7.964 3.160 8.325 675 HE2 MET 93 HE2 MET 93 -7.508 2.255 9.768 676 HE3 MET 93 HE3 MET 93 -6.873 1.782 8.192 677 H ALA 94 H ALA 94 -2.434 0.928 7.270 678 HA ALA 94 HA ALA 94 -1.819 -0.146 5.417 679 HB1 ALA 94 HB1 ALA 94 -0.444 -2.067 7.287 680 HB2 ALA 94 HB2 ALA 94 0.210 -0.539 6.695 681 HB3 ALA 94 HB3 ALA 94 -0.098 -1.861 5.568 682 HA PRO 95 HA PRO 95 -5.344 -3.117 4.819 683 HB2 PRO 95 HB2 PRO 95 -4.645 -2.148 2.033 684 HB3 PRO 95 HB3 PRO 95 -6.236 -2.374 2.779 685 HG2 PRO 95 HG2 PRO 95 -5.270 0.074 2.525 686 HG3 PRO 95 HG3 PRO 95 -6.060 -0.394 4.051 687 HD2 PRO 95 HD2 PRO 95 -3.104 -0.182 3.435 688 HD3 PRO 95 HD3 PRO 95 -3.999 0.369 4.871 689 HA PRO 96 HA PRO 96 -3.017 -6.692 3.139 690 HB2 PRO 96 HB2 PRO 96 -4.946 -8.005 1.656 691 HB3 PRO 96 HB3 PRO 96 -4.847 -8.075 3.422 692 HG2 PRO 96 HG2 PRO 96 -6.586 -6.314 1.692 693 HG3 PRO 96 HG3 PRO 96 -7.037 -7.243 3.138 694 HD2 PRO 96 HD2 PRO 96 -6.567 -4.589 3.275 695 HD3 PRO 96 HD3 PRO 96 -6.080 -5.672 4.599 696 H VAL 97 H VAL 97 -1.560 -6.746 1.498 697 HA VAL 97 HA VAL 97 -2.224 -5.596 -1.151 698 HB VAL 97 HB VAL 97 -0.616 -4.189 0.073 699 HG11 VAL 97 HG11 VAL 97 1.635 -4.947 0.669 700 HG12 VAL 97 HG12 VAL 97 1.237 -6.592 0.152 701 HG13 VAL 97 HG13 VAL 97 0.402 -5.873 1.535 702 HG21 VAL 97 HG21 VAL 97 1.196 -4.035 -1.606 703 HG22 VAL 97 HG22 VAL 97 -0.375 -4.258 -2.380 704 HG23 VAL 97 HG23 VAL 97 0.745 -5.620 -2.250 705 H VAL 98 H VAL 98 -1.211 -6.547 -2.984 706 HA VAL 98 HA VAL 98 -1.329 -9.458 -2.847 707 HB VAL 98 HB VAL 98 -1.443 -9.241 -5.414 708 HG11 VAL 98 HG11 VAL 98 -3.783 -8.502 -5.409 709 HG12 VAL 98 HG12 VAL 98 -3.580 -7.819 -3.794 710 HG13 VAL 98 HG13 VAL 98 -3.454 -9.564 -4.038 711 HG21 VAL 98 HG21 VAL 98 -0.407 -7.001 -5.668 712 HG22 VAL 98 HG22 VAL 98 -1.737 -6.268 -4.770 713 HG23 VAL 98 HG23 VAL 98 -2.040 -7.009 -6.345 714 H LEU 99 H LEU 99 0.762 -10.212 -2.155 715 HA LEU 99 HA LEU 99 3.235 -9.478 -3.296 716 HB2 LEU 99 HB2 LEU 99 2.324 -12.042 -1.966 717 HB3 LEU 99 HB3 LEU 99 3.930 -11.949 -2.664 718 HG LEU 99 HG LEU 99 2.865 -10.270 -0.361 719 HD11 LEU 99 HD11 LEU 99 5.031 -12.400 -0.436 720 HD12 LEU 99 HD12 LEU 99 3.425 -12.560 0.281 721 HD13 LEU 99 HD13 LEU 99 4.583 -11.424 0.969 722 HD21 LEU 99 HD21 LEU 99 5.581 -10.111 -1.723 723 HD22 LEU 99 HD22 LEU 99 5.150 -9.310 -0.208 724 HD23 LEU 99 HD23 LEU 99 4.334 -8.860 -1.702 725 H GLN 100 H GLN 100 0.720 -11.462 -4.604 726 HA GLN 100 HA GLN 100 2.135 -12.897 -6.600 727 HB2 GLN 100 HB2 GLN 100 -0.135 -13.278 -7.593 728 HB3 GLN 100 HB3 GLN 100 -0.070 -13.617 -5.866 729 HG2 GLN 100 HG2 GLN 100 -1.115 -11.412 -5.404 730 HG3 GLN 100 HG3 GLN 100 -1.219 -11.109 -7.138 731 HE21 GLN 100 HE21 GLN 100 -2.737 -12.317 -8.362 732 HE22 GLN 100 HE22 GLN 100 -4.049 -13.142 -7.604 733 H SER 101 H SER 101 0.832 -9.590 -6.570 734 HA SER 101 HA SER 101 1.466 -9.288 -9.468 735 HB2 SER 101 HB2 SER 101 -0.938 -9.028 -9.038 736 HB3 SER 101 HB3 SER 101 -0.617 -7.764 -7.855 737 HG SER 101 HG SER 101 0.599 -7.121 -10.167 738 H THR 102 H THR 102 1.435 -7.475 -6.354 739 HA THR 102 HA THR 102 2.741 -5.144 -7.015 740 HB THR 102 HB THR 102 3.335 -6.713 -4.453 741 HG1 THR 102 HG1 THR 102 1.291 -4.778 -4.861 742 HG21 THR 102 HG21 THR 102 4.789 -4.730 -4.737 743 HG22 THR 102 HG22 THR 102 3.619 -4.464 -3.445 744 HG23 THR 102 HG23 THR 102 3.367 -3.721 -5.024 745 H GLU 103 H GLU 103 4.604 -4.724 -8.046 746 HA GLU 103 HA GLU 103 6.489 -6.865 -8.596 747 HB2 GLU 103 HB2 GLU 103 6.391 -4.033 -9.704 748 HB3 GLU 103 HB3 GLU 103 7.395 -5.341 -10.305 749 HG2 GLU 103 HG2 GLU 103 5.740 -5.603 -11.830 750 HG3 GLU 103 HG3 GLU 103 4.947 -6.506 -10.548 751 H LYS 104 H LYS 104 8.865 -6.048 -8.979 752 HA LYS 104 HA LYS 104 10.016 -5.804 -6.389 753 HB2 LYS 104 HB2 LYS 104 11.395 -5.645 -9.096 754 HB3 LYS 104 HB3 LYS 104 12.195 -5.930 -7.553 755 HG2 LYS 104 HG2 LYS 104 10.245 -7.776 -8.967 756 HG3 LYS 104 HG3 LYS 104 11.982 -8.026 -8.758 757 HD2 LYS 104 HD2 LYS 104 9.944 -7.883 -6.509 758 HD3 LYS 104 HD3 LYS 104 10.595 -9.379 -7.189 759 HE2 LYS 104 HE2 LYS 104 12.179 -7.225 -5.744 760 HE3 LYS 104 HE3 LYS 104 11.749 -8.811 -5.103 761 HZ1 LYS 104 HZ1 LYS 104 13.098 -9.836 -6.819 762 HZ2 LYS 104 HZ2 LYS 104 14.022 -8.760 -5.900 763 HZ3 LYS 104 HZ3 LYS 104 13.509 -8.320 -7.447 764 H SER 105 H SER 105 9.249 -3.421 -8.788 765 HA SER 105 HA SER 105 11.042 -1.371 -7.903 766 HB2 SER 105 HB2 SER 105 9.919 -1.260 -10.105 767 HB3 SER 105 HB3 SER 105 8.370 -1.016 -9.303 768 HG SER 105 HG SER 105 9.119 0.947 -8.512 769 H ALA 106 H ALA 106 7.876 -2.425 -6.721 770 HA ALA 106 HA ALA 106 7.209 -0.230 -5.075 771 HB1 ALA 106 HB1 ALA 106 6.579 -3.164 -4.632 772 HB2 ALA 106 HB2 ALA 106 5.640 -2.040 -5.617 773 HB3 ALA 106 HB3 ALA 106 5.749 -1.800 -3.872 774 H LEU 107 H LEU 107 9.433 -2.903 -4.534 775 HA LEU 107 HA LEU 107 9.934 -2.669 -1.763 776 HB2 LEU 107 HB2 LEU 107 11.655 -3.661 -4.061 777 HB3 LEU 107 HB3 LEU 107 12.233 -3.679 -2.404 778 HG LEU 107 HG LEU 107 10.348 -5.210 -1.792 779 HD11 LEU 107 HD11 LEU 107 9.791 -5.378 -4.761 780 HD12 LEU 107 HD12 LEU 107 8.728 -4.671 -3.545 781 HD13 LEU 107 HD13 LEU 107 9.079 -6.397 -3.507 782 HD21 LEU 107 HD21 LEU 107 12.181 -6.226 -3.982 783 HD22 LEU 107 HD22 LEU 107 11.326 -7.223 -2.801 784 HD23 LEU 107 HD23 LEU 107 12.569 -6.097 -2.262 785 H ARG 108 H ARG 108 11.023 -0.744 -4.446 786 HA ARG 108 HA ARG 108 13.311 0.478 -3.217 787 HB2 ARG 108 HB2 ARG 108 11.714 1.361 -5.648 788 HB3 ARG 108 HB3 ARG 108 13.348 1.882 -5.241 789 HG2 ARG 108 HG2 ARG 108 14.128 -0.485 -5.513 790 HG3 ARG 108 HG3 ARG 108 12.490 -0.939 -5.999 791 HD2 ARG 108 HD2 ARG 108 13.776 -0.665 -8.000 792 HD3 ARG 108 HD3 ARG 108 12.691 0.726 -7.894 793 HE ARG 108 HE ARG 108 15.336 1.134 -6.773 794 HH11 ARG 108 HH11 ARG 108 13.335 1.570 -9.560 795 HH12 ARG 108 HH12 ARG 108 14.463 2.625 -10.332 796 HH21 ARG 108 HH21 ARG 108 16.764 2.451 -7.781 797 HH22 ARG 108 HH22 ARG 108 16.393 3.111 -9.333 798 H TYR 109 H TYR 109 10.054 0.927 -2.645 799 HA TYR 109 HA TYR 109 10.389 3.703 -1.657 800 HB2 TYR 109 HB2 TYR 109 7.802 2.370 -2.582 801 HB3 TYR 109 HB3 TYR 109 7.986 4.043 -2.074 802 HD1 TYR 109 HD1 TYR 109 8.784 1.609 -4.760 803 HD2 TYR 109 HD2 TYR 109 8.790 5.737 -3.665 804 HE1 TYR 109 HE1 TYR 109 9.193 2.222 -7.096 805 HE2 TYR 109 HE2 TYR 109 9.207 6.352 -6.011 806 HH TYR 109 HH TYR 109 10.131 5.333 -8.056 807 H VAL 110 H VAL 110 8.820 0.527 -1.068 808 HA VAL 110 HA VAL 110 8.101 1.361 1.683 809 HB VAL 110 HB VAL 110 6.195 0.114 1.604 810 HG11 VAL 110 HG11 VAL 110 5.199 -0.115 -0.627 811 HG12 VAL 110 HG12 VAL 110 6.784 0.195 -1.336 812 HG13 VAL 110 HG13 VAL 110 5.986 1.451 -0.384 813 HG21 VAL 110 HG21 VAL 110 7.179 -2.105 1.605 814 HG22 VAL 110 HG22 VAL 110 7.462 -2.020 -0.132 815 HG23 VAL 110 HG23 VAL 110 5.809 -2.055 0.492 816 H SER 111 H SER 111 9.924 -0.957 -0.115 817 HA SER 111 HA SER 111 11.344 -2.652 0.328 818 HB2 SER 111 HB2 SER 111 12.230 -1.472 2.269 819 HB3 SER 111 HB3 SER 111 10.919 -2.039 3.273 820 HG SER 111 HG SER 111 13.196 -3.199 3.013 821 H LEU 112 H LEU 112 11.010 -4.804 0.323 822 HA LEU 112 HA LEU 112 8.519 -5.912 0.105 823 HB2 LEU 112 HB2 LEU 112 10.282 -7.072 -0.870 824 HB3 LEU 112 HB3 LEU 112 11.252 -7.035 0.565 825 HG LEU 112 HG LEU 112 8.802 -8.771 0.616 826 HD11 LEU 112 HD11 LEU 112 11.331 -9.620 -0.828 827 HD12 LEU 112 HD12 LEU 112 9.764 -9.298 -1.578 828 HD13 LEU 112 HD13 LEU 112 9.939 -10.646 -0.456 829 HD21 LEU 112 HD21 LEU 112 10.298 -10.252 1.965 830 HD22 LEU 112 HD22 LEU 112 10.104 -8.639 2.647 831 HD23 LEU 112 HD23 LEU 112 11.595 -9.058 1.786 832 H ALA 113 H ALA 113 10.230 -5.442 3.114 833 HA ALA 113 HA ALA 113 9.013 -7.325 4.801 834 HB1 ALA 113 HB1 ALA 113 10.977 -5.973 5.427 835 HB2 ALA 113 HB2 ALA 113 9.708 -5.849 6.647 836 HB3 ALA 113 HB3 ALA 113 9.970 -4.527 5.503 837 H ASP 114 H ASP 114 7.772 -4.066 3.809 838 HA ASP 114 HA ASP 114 5.487 -4.138 5.583 839 HB2 ASP 114 HB2 ASP 114 6.455 -2.021 4.664 840 HB3 ASP 114 HB3 ASP 114 5.908 -2.480 3.060 841 H LEU 115 H LEU 115 6.018 -4.955 2.159 842 HA LEU 115 HA LEU 115 3.429 -5.590 1.339 843 HB2 LEU 115 HB2 LEU 115 6.002 -6.964 0.482 844 HB3 LEU 115 HB3 LEU 115 4.493 -6.933 -0.422 845 HG LEU 115 HG LEU 115 6.286 -4.536 0.141 846 HD11 LEU 115 HD11 LEU 115 5.747 -5.998 -2.451 847 HD12 LEU 115 HD12 LEU 115 7.249 -6.034 -1.518 848 HD13 LEU 115 HD13 LEU 115 6.713 -4.527 -2.261 849 HD21 LEU 115 HD21 LEU 115 3.957 -3.851 0.087 850 HD22 LEU 115 HD22 LEU 115 3.719 -4.677 -1.455 851 HD23 LEU 115 HD23 LEU 115 4.803 -3.286 -1.350 852 H GLN 116 H GLN 116 5.881 -7.671 2.853 853 HA GLN 116 HA GLN 116 4.292 -10.074 2.809 854 HB2 GLN 116 HB2 GLN 116 6.874 -9.471 4.298 855 HB3 GLN 116 HB3 GLN 116 6.190 -11.066 4.022 856 HG2 GLN 116 HG2 GLN 116 6.331 -9.999 1.445 857 HG3 GLN 116 HG3 GLN 116 7.762 -9.355 2.224 858 HE21 GLN 116 HE21 GLN 116 7.455 -11.382 0.065 859 HE22 GLN 116 HE22 GLN 116 8.350 -12.749 0.618 860 H ALA 117 H ALA 117 5.085 -7.640 5.246 861 HA ALA 117 HA ALA 117 3.903 -8.755 7.534 862 HB1 ALA 117 HB1 ALA 117 3.686 -6.442 8.367 863 HB2 ALA 117 HB2 ALA 117 3.957 -5.822 6.733 864 HB3 ALA 117 HB3 ALA 117 5.244 -6.690 7.573 865 H HIS 118 H HIS 118 2.345 -7.380 4.708 866 HA HIS 118 HA HIS 118 -0.357 -7.758 5.901 867 HB2 HIS 118 HB2 HIS 118 0.516 -5.534 4.008 868 HB3 HIS 118 HB3 HIS 118 -1.119 -5.767 4.639 869 HD1 HIS 118 HD1 HIS 118 2.173 -4.324 5.485 870 HD2 HIS 118 HD2 HIS 118 -1.344 -5.303 7.479 871 HE1 HIS 118 HE1 HIS 118 2.425 -3.392 7.793 872 HE2 HIS 118 HE2 HIS 118 0.377 -4.156 9.029 873 H ALA 119 H ALA 119 1.397 -9.465 4.140 874 HA ALA 119 HA ALA 119 -0.028 -9.790 1.655 875 HB1 ALA 119 HB1 ALA 119 1.788 -11.727 3.137 876 HB2 ALA 119 HB2 ALA 119 2.303 -10.546 1.930 877 HB3 ALA 119 HB3 ALA 119 1.252 -11.885 1.463 878 H LEU 120 H LEU 120 -1.445 -11.599 1.118 879 HA LEU 120 HA LEU 120 -3.287 -12.419 3.161 880 HB2 LEU 120 HB2 LEU 120 -3.037 -13.039 0.204 881 HB3 LEU 120 HB3 LEU 120 -4.164 -13.948 1.191 882 HG LEU 120 HG LEU 120 -5.416 -12.207 0.117 883 HD11 LEU 120 HD11 LEU 120 -6.010 -12.677 2.457 884 HD12 LEU 120 HD12 LEU 120 -6.385 -11.016 1.995 885 HD13 LEU 120 HD13 LEU 120 -4.964 -11.357 2.989 886 HD21 LEU 120 HD21 LEU 120 -3.419 -10.181 1.192 887 HD22 LEU 120 HD22 LEU 120 -4.898 -9.809 0.300 888 HD23 LEU 120 HD23 LEU 120 -3.592 -10.685 -0.493 889 HA PRO 121 HA PRO 121 -1.363 -16.024 4.867 890 HB2 PRO 121 HB2 PRO 121 -4.042 -17.395 4.874 891 HB3 PRO 121 HB3 PRO 121 -2.976 -16.994 6.220 892 HG2 PRO 121 HG2 PRO 121 -5.225 -15.609 5.825 893 HG3 PRO 121 HG3 PRO 121 -3.742 -14.794 6.370 894 HD2 PRO 121 HD2 PRO 121 -4.927 -14.911 3.593 895 HD3 PRO 121 HD3 PRO 121 -4.236 -13.524 4.468 896 H VAL 122 H VAL 122 -0.074 -17.328 3.692 897 HA VAL 122 HA VAL 122 0.770 -18.861 2.270 898 HB VAL 122 HB VAL 122 -2.081 -19.920 2.191 899 HG11 VAL 122 HG11 VAL 122 0.441 -21.294 1.182 900 HG12 VAL 122 HG12 VAL 122 -0.902 -20.723 0.188 901 HG13 VAL 122 HG13 VAL 122 -1.150 -22.051 1.322 902 HG21 VAL 122 HG21 VAL 122 0.328 -20.856 3.808 903 HG22 VAL 122 HG22 VAL 122 -1.262 -21.626 3.803 904 HG23 VAL 122 HG23 VAL 122 -1.078 -19.991 4.441 905 H LEU 123 H LEU 123 1.543 -17.904 0.466 906 HA LEU 123 HA LEU 123 -0.046 -16.594 -1.529 907 HB2 LEU 123 HB2 LEU 123 2.278 -15.923 -1.007 908 HB3 LEU 123 HB3 LEU 123 2.855 -17.447 -1.661 909 HG LEU 123 HG LEU 123 1.997 -16.795 -3.918 910 HD11 LEU 123 HD11 LEU 123 0.170 -15.306 -3.272 911 HD12 LEU 123 HD12 LEU 123 1.278 -14.496 -4.376 912 HD13 LEU 123 HD13 LEU 123 1.325 -14.122 -2.650 913 HD21 LEU 123 HD21 LEU 123 4.326 -16.349 -3.335 914 HD22 LEU 123 HD22 LEU 123 3.880 -14.763 -2.697 915 HD23 LEU 123 HD23 LEU 123 3.697 -15.110 -4.420 916 H GLU 124 H GLU 124 1.907 -19.544 -1.595 917 HA GLU 124 HA GLU 124 0.199 -20.709 -3.709 918 HB2 GLU 124 HB2 GLU 124 2.137 -21.601 -4.875 919 HB3 GLU 124 HB3 GLU 124 2.351 -19.870 -4.688 920 HG2 GLU 124 HG2 GLU 124 3.708 -21.982 -2.979 921 HG3 GLU 124 HG3 GLU 124 4.446 -21.184 -4.358 922 H HIS 125 H HIS 125 -0.203 -22.900 -3.550 923 HA HIS 125 HA HIS 125 0.068 -24.139 -0.975 924 HB2 HIS 125 HB2 HIS 125 -1.141 -26.071 -2.003 925 HB3 HIS 125 HB3 HIS 125 -1.971 -24.541 -2.231 926 HD1 HIS 125 HD1 HIS 125 -0.678 -27.432 -4.066 927 HD2 HIS 125 HD2 HIS 125 -1.781 -23.526 -4.977 928 HE1 HIS 125 HE1 HIS 125 -0.993 -27.387 -6.556 929 HE2 HIS 125 HE2 HIS 125 -1.467 -24.980 -7.097 930 H HIS 126 H HIS 126 2.231 -24.412 -0.517 931 HA HIS 126 HA HIS 126 4.128 -25.604 -2.266 932 HB2 HIS 126 HB2 HIS 126 4.164 -24.761 0.619 933 HB3 HIS 126 HB3 HIS 126 5.429 -25.851 0.070 934 HD1 HIS 126 HD1 HIS 126 5.601 -24.446 -2.826 935 HD2 HIS 126 HD2 HIS 126 5.980 -22.613 0.882 936 HE1 HIS 126 HE1 HIS 126 7.033 -22.436 -3.225 937 HE2 HIS 126 HE2 HIS 126 7.366 -21.421 -0.956 938 H HIS 127 H HIS 127 5.016 -27.586 -2.365 939 HA HIS 127 HA HIS 127 3.929 -29.895 -0.950 940 HB2 HIS 127 HB2 HIS 127 3.063 -30.945 -3.034 941 HB3 HIS 127 HB3 HIS 127 2.205 -29.450 -2.687 942 HD1 HIS 127 HD1 HIS 127 3.769 -31.156 -5.412 943 HD2 HIS 127 HD2 HIS 127 3.408 -27.174 -4.307 944 HE1 HIS 127 HE1 HIS 127 4.339 -29.840 -7.468 945 HE2 HIS 127 HE2 HIS 127 4.279 -27.444 -6.724 946 H HIS 128 H HIS 128 5.426 -31.554 -0.934 947 HA HIS 128 HA HIS 128 7.440 -32.600 -1.053 948 HB2 HIS 128 HB2 HIS 128 6.501 -32.932 -3.456 949 HB3 HIS 128 HB3 HIS 128 7.637 -31.689 -3.956 950 HD1 HIS 128 HD1 HIS 128 7.477 -35.213 -2.692 951 HD2 HIS 128 HD2 HIS 128 10.309 -32.567 -4.194 952 HE1 HIS 128 HE1 HIS 128 9.520 -36.594 -3.133 953 HE2 HIS 128 HE2 HIS 128 11.264 -34.949 -3.879 954 H HIS 129 H HIS 129 7.459 -30.043 0.002 955 HA HIS 129 HA HIS 129 8.804 -28.482 0.883 956 HB2 HIS 129 HB2 HIS 129 11.050 -29.992 -0.524 957 HB3 HIS 129 HB3 HIS 129 11.322 -28.643 0.572 958 HD1 HIS 129 HD1 HIS 129 12.059 -29.502 2.777 959 HD2 HIS 129 HD2 HIS 129 9.247 -32.016 1.041 960 HE1 HIS 129 HE1 HIS 129 11.745 -31.381 4.402 961 HE2 HIS 129 HE2 HIS 129 10.166 -32.967 3.258 962 H HIS 130 H HIS 130 7.960 -28.461 -2.255 963 HA HIS 130 HA HIS 130 8.369 -25.655 -2.552 964 HB2 HIS 130 HB2 HIS 130 9.643 -25.915 -4.856 965 HB3 HIS 130 HB3 HIS 130 10.556 -25.951 -3.357 966 HD1 HIS 130 HD1 HIS 130 11.821 -28.078 -2.798 967 HD2 HIS 130 HD2 HIS 130 9.472 -28.442 -6.200 968 HE1 HIS 130 HE1 HIS 130 12.526 -30.235 -3.869 969 HE2 HIS 130 HE2 HIS 130 11.163 -30.388 -5.977 Start of MODEL 13 1 H1 MET 1 H1 MET 1 15.516 -9.814 -29.869 2 H2 MET 1 H2 MET 1 14.256 -9.926 -28.747 3 H3 MET 1 H3 MET 1 15.804 -9.494 -28.234 4 HA MET 1 HA MET 1 14.360 -7.579 -28.312 5 HB2 MET 1 HB2 MET 1 16.469 -7.512 -30.522 6 HB3 MET 1 HB3 MET 1 15.825 -6.114 -29.662 7 HG2 MET 1 HG2 MET 1 17.492 -8.342 -28.467 8 HG3 MET 1 HG3 MET 1 18.037 -6.697 -28.815 9 HE1 MET 1 HE1 MET 1 18.938 -6.750 -26.198 10 HE2 MET 1 HE2 MET 1 18.195 -8.324 -25.910 11 HE3 MET 1 HE3 MET 1 17.855 -6.976 -24.824 12 H GLY 2 H GLY 2 13.126 -6.061 -29.598 13 HA2 GLY 2 HA2 GLY 2 11.718 -7.308 -31.889 14 HA3 GLY 2 HA3 GLY 2 11.103 -6.014 -30.875 15 H GLN 3 H GLN 3 11.617 -3.891 -31.350 16 HA GLN 3 HA GLN 3 12.254 -3.239 -34.061 17 HB2 GLN 3 HB2 GLN 3 10.570 -2.064 -32.687 18 HB3 GLN 3 HB3 GLN 3 11.814 -1.512 -31.588 19 HG2 GLN 3 HG2 GLN 3 12.033 -0.664 -34.455 20 HG3 GLN 3 HG3 GLN 3 10.740 0.045 -33.496 21 HE21 GLN 3 HE21 GLN 3 11.327 1.320 -31.635 22 HE22 GLN 3 HE22 GLN 3 12.881 2.067 -31.555 23 H GLY 4 H GLY 4 14.019 -1.776 -34.777 24 HA2 GLY 4 HA2 GLY 4 16.582 -2.783 -33.968 25 HA3 GLY 4 HA3 GLY 4 16.272 -1.606 -35.226 26 H GLN 5 H GLN 5 17.991 -0.227 -34.714 27 HA GLN 5 HA GLN 5 17.682 1.422 -32.310 28 HB2 GLN 5 HB2 GLN 5 19.939 1.117 -31.481 29 HB3 GLN 5 HB3 GLN 5 19.183 -0.462 -31.615 30 HG2 GLN 5 HG2 GLN 5 21.162 0.679 -33.613 31 HG3 GLN 5 HG3 GLN 5 21.580 -0.415 -32.303 32 HE21 GLN 5 HE21 GLN 5 21.840 -0.687 -35.247 33 HE22 GLN 5 HE22 GLN 5 21.044 -2.170 -35.631 34 H ASN 6 H ASN 6 18.855 3.417 -32.360 35 HA ASN 6 HA ASN 6 19.447 4.388 -35.115 36 HB2 ASN 6 HB2 ASN 6 18.384 5.957 -32.718 37 HB3 ASN 6 HB3 ASN 6 18.668 6.609 -34.330 38 HD21 ASN 6 HD21 ASN 6 16.577 4.565 -32.397 39 HD22 ASN 6 HD22 ASN 6 15.304 4.466 -33.556 40 H VAL 7 H VAL 7 20.644 6.774 -34.687 41 HA VAL 7 HA VAL 7 23.350 6.088 -33.955 42 HB VAL 7 HB VAL 7 24.000 8.225 -34.803 43 HG11 VAL 7 HG11 VAL 7 21.547 7.356 -36.373 44 HG12 VAL 7 HG12 VAL 7 23.180 6.706 -36.553 45 HG13 VAL 7 HG13 VAL 7 22.846 8.384 -36.988 46 HG21 VAL 7 HG21 VAL 7 22.500 9.707 -33.521 47 HG22 VAL 7 HG22 VAL 7 21.119 9.191 -34.489 48 HG23 VAL 7 HG23 VAL 7 22.419 10.119 -35.239 49 H LEU 8 H LEU 8 20.837 6.893 -32.030 50 HA LEU 8 HA LEU 8 21.632 9.148 -30.527 51 HB2 LEU 8 HB2 LEU 8 19.597 7.021 -29.807 52 HB3 LEU 8 HB3 LEU 8 19.672 8.667 -29.199 53 HG LEU 8 HG LEU 8 19.106 7.923 -32.091 54 HD11 LEU 8 HD11 LEU 8 17.208 8.869 -29.944 55 HD12 LEU 8 HD12 LEU 8 17.292 7.246 -30.634 56 HD13 LEU 8 HD13 LEU 8 16.810 8.605 -31.645 57 HD21 LEU 8 HD21 LEU 8 18.992 10.646 -30.742 58 HD22 LEU 8 HD22 LEU 8 18.504 10.293 -32.403 59 HD23 LEU 8 HD23 LEU 8 20.191 10.120 -31.926 60 H GLY 9 H GLY 9 22.427 5.787 -30.195 61 HA2 GLY 9 HA2 GLY 9 23.998 4.807 -28.760 62 HA3 GLY 9 HA3 GLY 9 23.949 6.231 -27.729 63 H GLN 10 H GLN 10 21.634 6.581 -26.797 64 HA GLN 10 HA GLN 10 20.088 4.188 -26.218 65 HB2 GLN 10 HB2 GLN 10 20.237 4.457 -23.757 66 HB3 GLN 10 HB3 GLN 10 21.806 4.106 -24.475 67 HG2 GLN 10 HG2 GLN 10 22.354 6.557 -24.332 68 HG3 GLN 10 HG3 GLN 10 20.848 6.802 -23.454 69 HE21 GLN 10 HE21 GLN 10 20.659 5.881 -21.339 70 HE22 GLN 10 HE22 GLN 10 22.066 5.476 -20.429 71 H ASP 11 H ASP 11 17.932 4.657 -25.693 72 HA ASP 11 HA ASP 11 17.038 7.460 -25.571 73 HB2 ASP 11 HB2 ASP 11 17.328 6.750 -28.007 74 HB3 ASP 11 HB3 ASP 11 16.061 5.558 -27.756 75 H LEU 12 H LEU 12 14.555 7.554 -25.258 76 HA LEU 12 HA LEU 12 13.352 5.222 -23.992 77 HB2 LEU 12 HB2 LEU 12 15.063 6.436 -22.364 78 HB3 LEU 12 HB3 LEU 12 13.783 7.614 -22.166 79 HG LEU 12 HG LEU 12 13.331 4.651 -21.588 80 HD11 LEU 12 HD11 LEU 12 15.228 5.375 -20.205 81 HD12 LEU 12 HD12 LEU 12 13.797 5.082 -19.220 82 HD13 LEU 12 HD13 LEU 12 14.282 6.738 -19.595 83 HD21 LEU 12 HD21 LEU 12 11.888 7.136 -20.590 84 HD22 LEU 12 HD22 LEU 12 11.498 5.468 -20.158 85 HD23 LEU 12 HD23 LEU 12 11.295 6.017 -21.819 86 H GLU 13 H GLU 13 11.746 5.609 -25.608 87 HA GLU 13 HA GLU 13 10.035 8.007 -25.383 88 HB2 GLU 13 HB2 GLU 13 9.996 5.712 -27.390 89 HB3 GLU 13 HB3 GLU 13 8.923 7.111 -27.437 90 HG2 GLU 13 HG2 GLU 13 10.800 8.597 -27.821 91 HG3 GLU 13 HG3 GLU 13 11.939 7.269 -27.627 92 H VAL 14 H VAL 14 8.997 7.592 -23.401 93 HA VAL 14 HA VAL 14 7.431 5.092 -23.087 94 HB VAL 14 HB VAL 14 9.190 5.587 -21.389 95 HG11 VAL 14 HG11 VAL 14 8.878 7.405 -19.729 96 HG12 VAL 14 HG12 VAL 14 7.489 7.998 -20.641 97 HG13 VAL 14 HG13 VAL 14 9.098 8.038 -21.364 98 HG21 VAL 14 HG21 VAL 14 7.828 5.152 -19.367 99 HG22 VAL 14 HG22 VAL 14 7.305 4.161 -20.728 100 HG23 VAL 14 HG23 VAL 14 6.364 5.579 -20.257 101 H CYS 15 H CYS 15 5.279 5.172 -22.236 102 HA CYS 15 HA CYS 15 4.032 7.825 -21.859 103 HB2 CYS 15 HB2 CYS 15 2.696 5.460 -23.237 104 HB3 CYS 15 HB3 CYS 15 1.917 6.992 -22.847 105 HG CYS 15 HG CYS 15 4.356 8.053 -24.518 106 H CYS 16 H CYS 16 3.594 4.290 -21.303 107 HA CYS 16 HA CYS 16 2.977 3.045 -19.497 108 HB2 CYS 16 HB2 CYS 16 5.088 4.094 -18.645 109 HB3 CYS 16 HB3 CYS 16 4.129 5.350 -17.875 110 HG CYS 16 HG CYS 16 4.429 4.017 -15.670 111 H CYS 17 H CYS 17 1.887 3.365 -17.031 112 HA CYS 17 HA CYS 17 0.175 3.928 -15.691 113 HB2 CYS 17 HB2 CYS 17 0.674 6.296 -16.053 114 HB3 CYS 17 HB3 CYS 17 -0.290 6.307 -17.525 115 HG CYS 17 HG CYS 17 -2.110 5.233 -14.995 116 H ALA 18 H ALA 18 -1.108 4.726 -18.956 117 HA ALA 18 HA ALA 18 -3.543 3.253 -18.627 118 HB1 ALA 18 HB1 ALA 18 -3.383 5.194 -20.134 119 HB2 ALA 18 HB2 ALA 18 -3.891 3.759 -21.023 120 HB3 ALA 18 HB3 ALA 18 -2.225 4.331 -21.151 121 HA PRO 19 HA PRO 19 -2.269 -0.992 -19.546 122 HB2 PRO 19 HB2 PRO 19 -4.771 -1.073 -21.244 123 HB3 PRO 19 HB3 PRO 19 -4.213 -2.213 -20.009 124 HG2 PRO 19 HG2 PRO 19 -6.142 -0.503 -19.400 125 HG3 PRO 19 HG3 PRO 19 -4.835 -0.795 -18.232 126 HD2 PRO 19 HD2 PRO 19 -5.221 1.558 -20.086 127 HD3 PRO 19 HD3 PRO 19 -4.691 1.533 -18.387 128 H MET 20 H MET 20 -0.516 -1.084 -20.811 129 HA MET 20 HA MET 20 0.905 -1.329 -22.532 130 HB2 MET 20 HB2 MET 20 -0.678 -3.179 -23.085 131 HB3 MET 20 HB3 MET 20 -1.573 -2.092 -24.136 132 HG2 MET 20 HG2 MET 20 0.432 -1.861 -25.576 133 HG3 MET 20 HG3 MET 20 1.301 -2.983 -24.529 134 HE1 MET 20 HE1 MET 20 -0.730 -6.319 -25.127 135 HE2 MET 20 HE2 MET 20 -1.008 -5.141 -23.846 136 HE3 MET 20 HE3 MET 20 0.640 -5.591 -24.287 137 H THR 21 H THR 21 1.478 0.893 -22.587 138 HA THR 21 HA THR 21 1.110 2.117 -25.194 139 HB THR 21 HB THR 21 -0.793 3.134 -24.008 140 HG1 THR 21 HG1 THR 21 0.219 5.448 -24.041 141 HG21 THR 21 HG21 THR 21 1.225 4.213 -22.002 142 HG22 THR 21 HG22 THR 21 0.034 2.953 -21.674 143 HG23 THR 21 HG23 THR 21 -0.499 4.593 -22.050 144 H GLY 22 H GLY 22 2.684 3.827 -25.634 145 HA2 GLY 22 HA2 GLY 22 4.834 4.737 -25.483 146 HA3 GLY 22 HA3 GLY 22 5.058 3.968 -23.913 147 H TRP 23 H TRP 23 6.869 4.013 -26.270 148 HA TRP 23 HA TRP 23 6.821 1.541 -27.636 149 HB2 TRP 23 HB2 TRP 23 9.002 3.617 -27.252 150 HB3 TRP 23 HB3 TRP 23 9.314 2.120 -28.131 151 HD1 TRP 23 HD1 TRP 23 7.906 5.558 -28.687 152 HE1 TRP 23 HE1 TRP 23 6.858 5.701 -31.031 153 HE3 TRP 23 HE3 TRP 23 7.892 0.583 -29.899 154 HZ2 TRP 23 HZ2 TRP 23 6.114 3.948 -33.117 155 HZ3 TRP 23 HZ3 TRP 23 6.993 -0.106 -32.088 156 HH2 TRP 23 HH2 TRP 23 6.121 1.547 -33.669 157 H TYR 24 H TYR 24 7.063 -0.372 -26.874 158 HA TYR 24 HA TYR 24 7.955 -1.042 -24.246 159 HB2 TYR 24 HB2 TYR 24 6.083 -2.143 -25.419 160 HB3 TYR 24 HB3 TYR 24 7.175 -2.738 -26.660 161 HD1 TYR 24 HD2 TYR 24 6.604 -2.942 -22.935 162 HD2 TYR 24 HD1 TYR 24 7.997 -4.943 -26.453 163 HE1 TYR 24 HE2 TYR 24 6.867 -5.025 -21.653 164 HE2 TYR 24 HE1 TYR 24 8.251 -7.020 -25.171 165 HH TYR 24 HH TYR 24 8.595 -7.684 -22.798 166 H ARG 25 H ARG 25 9.650 -0.659 -27.171 167 HA ARG 25 HA ARG 25 11.792 -2.540 -26.791 168 HB2 ARG 25 HB2 ARG 25 10.908 -1.540 -28.997 169 HB3 ARG 25 HB3 ARG 25 11.766 -0.066 -28.583 170 HG2 ARG 25 HG2 ARG 25 13.128 -2.762 -28.922 171 HG3 ARG 25 HG3 ARG 25 12.900 -1.619 -30.241 172 HD2 ARG 25 HD2 ARG 25 14.254 0.053 -28.962 173 HD3 ARG 25 HD3 ARG 25 14.551 -1.180 -27.729 174 HE ARG 25 HE ARG 25 15.390 -1.458 -30.555 175 HH11 ARG 25 HH11 ARG 25 16.076 -1.957 -27.194 176 HH12 ARG 25 HH12 ARG 25 17.636 -2.620 -27.521 177 HH21 ARG 25 HH21 ARG 25 17.376 -2.270 -30.927 178 HH22 ARG 25 HH22 ARG 25 18.358 -2.807 -29.606 179 H ASN 26 H ASN 26 11.634 1.044 -26.608 180 HA ASN 26 HA ASN 26 14.208 1.097 -25.117 181 HB2 ASN 26 HB2 ASN 26 14.567 3.349 -26.142 182 HB3 ASN 26 HB3 ASN 26 14.438 2.068 -27.340 183 HD21 ASN 26 HD21 ASN 26 13.953 4.993 -27.563 184 HD22 ASN 26 HD22 ASN 26 12.363 5.130 -28.222 185 H GLY 27 H GLY 27 10.916 2.328 -25.175 186 HA2 GLY 27 HA2 GLY 27 11.363 4.362 -23.136 187 HA3 GLY 27 HA3 GLY 27 9.864 4.003 -23.967 188 H PHE 28 H PHE 28 8.553 2.242 -23.229 189 HA PHE 28 HA PHE 28 8.246 2.192 -20.420 190 HB2 PHE 28 HB2 PHE 28 6.317 1.995 -21.888 191 HB3 PHE 28 HB3 PHE 28 6.927 0.516 -22.600 192 HD1 PHE 28 HD2 PHE 28 5.520 1.994 -19.486 193 HD2 PHE 28 HD1 PHE 28 6.494 -1.629 -21.549 194 HE1 PHE 28 HE2 PHE 28 4.294 0.697 -17.799 195 HE2 PHE 28 HE1 PHE 28 5.260 -2.921 -19.852 196 HZ PHE 28 HZ PHE 28 4.162 -1.758 -17.974 197 H CYS 29 H CYS 29 9.100 -0.501 -22.635 198 HA CYS 29 HA CYS 29 10.483 -2.290 -22.505 199 HB2 CYS 29 HB2 CYS 29 11.823 -0.722 -20.271 200 HB3 CYS 29 HB3 CYS 29 12.527 -2.110 -21.096 201 HG CYS 29 HG CYS 29 12.397 1.086 -22.020 202 H GLN 30 H GLN 30 11.577 -3.932 -20.820 203 HA GLN 30 HA GLN 30 9.670 -4.688 -18.723 204 HB2 GLN 30 HB2 GLN 30 12.190 -6.013 -19.812 205 HB3 GLN 30 HB3 GLN 30 11.293 -6.654 -18.438 206 HG2 GLN 30 HG2 GLN 30 10.126 -6.250 -21.214 207 HG3 GLN 30 HG3 GLN 30 10.777 -7.774 -20.610 208 HE21 GLN 30 HE21 GLN 30 8.180 -5.439 -20.262 209 HE22 GLN 30 HE22 GLN 30 7.104 -6.476 -19.404 210 H THR 31 H THR 31 10.296 -2.430 -17.822 211 HA THR 31 HA THR 31 12.720 -2.370 -16.191 212 HB THR 31 HB THR 31 10.397 -0.386 -16.203 213 HG1 THR 31 HG1 THR 31 11.237 0.007 -18.132 214 HG21 THR 31 HG21 THR 31 12.031 1.173 -15.167 215 HG22 THR 31 HG22 THR 31 13.238 -0.110 -15.117 216 HG23 THR 31 HG23 THR 31 11.770 -0.244 -14.148 217 H ASP 32 H ASP 32 12.205 -4.330 -15.033 218 HA ASP 32 HA ASP 32 10.044 -4.202 -13.052 219 HB2 ASP 32 HB2 ASP 32 11.959 -6.488 -13.698 220 HB3 ASP 32 HB3 ASP 32 10.579 -6.577 -12.603 221 H VAL 33 H VAL 33 12.983 -5.903 -12.214 222 HA VAL 33 HA VAL 33 13.248 -4.182 -9.828 223 HB VAL 33 HB VAL 33 12.680 -6.607 -9.554 224 HG11 VAL 33 HG11 VAL 33 13.890 -7.558 -11.460 225 HG12 VAL 33 HG12 VAL 33 14.384 -8.363 -9.968 226 HG13 VAL 33 HG13 VAL 33 15.438 -7.158 -10.710 227 HG21 VAL 33 HG21 VAL 33 14.289 -7.130 -7.764 228 HG22 VAL 33 HG22 VAL 33 13.801 -5.435 -7.703 229 HG23 VAL 33 HG23 VAL 33 15.378 -5.876 -8.364 230 H GLN 34 H GLN 34 14.572 -4.155 -12.760 231 HA GLN 34 HA GLN 34 17.403 -3.984 -11.913 232 HB2 GLN 34 HB2 GLN 34 17.918 -4.361 -14.384 233 HB3 GLN 34 HB3 GLN 34 17.272 -5.729 -13.489 234 HG2 GLN 34 HG2 GLN 34 15.064 -5.393 -14.505 235 HG3 GLN 34 HG3 GLN 34 15.643 -3.955 -15.346 236 HE21 GLN 34 HE21 GLN 34 17.064 -4.217 -17.117 237 HE22 GLN 34 HE22 GLN 34 17.259 -5.738 -17.908 238 H ASP 35 H ASP 35 15.346 -2.421 -14.495 239 HA ASP 35 HA ASP 35 17.449 -0.484 -14.914 240 HB2 ASP 35 HB2 ASP 35 14.728 -0.736 -16.243 241 HB3 ASP 35 HB3 ASP 35 16.029 0.324 -16.787 242 H ARG 36 H ARG 36 16.663 1.826 -15.517 243 HA ARG 36 HA ARG 36 15.170 3.021 -13.254 244 HB2 ARG 36 HB2 ARG 36 16.510 5.171 -14.074 245 HB3 ARG 36 HB3 ARG 36 17.275 3.976 -13.041 246 HG2 ARG 36 HG2 ARG 36 18.819 4.669 -14.783 247 HG3 ARG 36 HG3 ARG 36 18.391 2.974 -14.996 248 HD2 ARG 36 HD2 ARG 36 16.748 3.689 -16.770 249 HD3 ARG 36 HD3 ARG 36 17.381 5.333 -16.617 250 HE ARG 36 HE ARG 36 19.622 3.950 -17.091 251 HH11 ARG 36 HH11 ARG 36 16.602 3.909 -18.786 252 HH12 ARG 36 HH12 ARG 36 17.326 3.433 -20.278 253 HH21 ARG 36 HH21 ARG 36 20.517 3.365 -19.006 254 HH22 ARG 36 HH22 ARG 36 19.523 3.119 -20.397 255 H GLY 37 H GLY 37 14.224 2.018 -16.056 256 HA2 GLY 37 HA2 GLY 37 13.041 4.341 -17.328 257 HA3 GLY 37 HA3 GLY 37 12.700 2.649 -17.678 258 H SER 38 H SER 38 10.417 3.016 -17.771 259 HA SER 38 HA SER 38 8.956 4.209 -15.597 260 HB2 SER 38 HB2 SER 38 6.922 3.360 -16.804 261 HB3 SER 38 HB3 SER 38 8.003 4.314 -17.820 262 HG SER 38 HG SER 38 7.916 1.473 -17.725 263 H HIS 39 H HIS 39 9.207 3.209 -13.672 264 HA HIS 39 HA HIS 39 8.979 0.367 -13.235 265 HB2 HIS 39 HB2 HIS 39 8.997 2.740 -11.330 266 HB3 HIS 39 HB3 HIS 39 8.884 1.073 -10.777 267 HD1 HIS 39 HD1 HIS 39 10.979 -0.482 -11.371 268 HD2 HIS 39 HD2 HIS 39 11.572 3.617 -11.804 269 HE1 HIS 39 HE1 HIS 39 13.460 -0.163 -11.386 270 HE2 HIS 39 HE2 HIS 39 13.802 2.302 -11.747 271 H THR 40 H THR 40 7.291 -0.710 -12.106 272 HA THR 40 HA THR 40 4.611 0.567 -12.246 273 HB THR 40 HB THR 40 4.608 -0.922 -14.089 274 HG1 THR 40 HG1 THR 40 3.209 -2.732 -13.217 275 HG21 THR 40 HG21 THR 40 6.630 -2.237 -13.633 276 HG22 THR 40 HG22 THR 40 5.272 -3.305 -14.006 277 HG23 THR 40 HG23 THR 40 5.793 -3.098 -12.332 278 H VAL 41 H VAL 41 3.413 0.447 -10.433 279 HA VAL 41 HA VAL 41 3.971 -1.620 -8.382 280 HB VAL 41 HB VAL 41 3.243 1.283 -7.743 281 HG11 VAL 41 HG11 VAL 41 3.962 -1.008 -5.863 282 HG12 VAL 41 HG12 VAL 41 2.350 -0.322 -6.089 283 HG13 VAL 41 HG13 VAL 41 3.631 0.659 -5.378 284 HG21 VAL 41 HG21 VAL 41 5.943 -0.087 -7.367 285 HG22 VAL 41 HG22 VAL 41 5.532 1.544 -6.828 286 HG23 VAL 41 HG23 VAL 41 5.577 1.171 -8.553 287 H CYS 42 H CYS 42 2.198 -2.916 -8.856 288 HA CYS 42 HA CYS 42 -0.513 -1.746 -8.773 289 HB2 CYS 42 HB2 CYS 42 0.385 -4.614 -9.315 290 HB3 CYS 42 HB3 CYS 42 -1.285 -4.048 -9.355 291 HG CYS 42 HG CYS 42 -1.115 -3.835 -11.910 292 H ALA 43 H ALA 43 -1.104 -1.343 -6.722 293 HA ALA 43 HA ALA 43 -0.940 -3.448 -4.648 294 HB1 ALA 43 HB1 ALA 43 0.966 -1.945 -4.244 295 HB2 ALA 43 HB2 ALA 43 -0.247 -1.735 -2.976 296 HB3 ALA 43 HB3 ALA 43 -0.109 -0.545 -4.275 297 H GLU 44 H GLU 44 -2.758 -3.445 -3.260 298 HA GLU 44 HA GLU 44 -4.957 -1.707 -4.226 299 HB2 GLU 44 HB2 GLU 44 -4.841 -4.244 -4.921 300 HB3 GLU 44 HB3 GLU 44 -5.449 -4.546 -3.296 301 HG2 GLU 44 HG2 GLU 44 -7.455 -3.352 -3.721 302 HG3 GLU 44 HG3 GLU 44 -6.797 -2.616 -5.186 303 H MET 45 H MET 45 -5.432 -0.333 -2.694 304 HA MET 45 HA MET 45 -5.226 -0.967 0.159 305 HB2 MET 45 HB2 MET 45 -6.089 1.739 -1.012 306 HB3 MET 45 HB3 MET 45 -5.329 1.393 0.545 307 HG2 MET 45 HG2 MET 45 -3.971 1.149 -2.154 308 HG3 MET 45 HG3 MET 45 -3.715 2.443 -0.994 309 HE1 MET 45 HE1 MET 45 -3.508 1.082 1.768 310 HE2 MET 45 HE2 MET 45 -2.299 2.231 1.193 311 HE3 MET 45 HE3 MET 45 -1.794 0.685 1.873 312 H THR 46 H THR 46 -7.003 -1.403 1.422 313 HA THR 46 HA THR 46 -9.669 -1.502 0.263 314 HB THR 46 HB THR 46 -9.071 -3.256 1.881 315 HG1 THR 46 HG1 THR 46 -11.227 -2.907 1.947 316 HG21 THR 46 HG21 THR 46 -7.510 -2.002 3.341 317 HG22 THR 46 HG22 THR 46 -8.764 -2.799 4.283 318 HG23 THR 46 HG23 THR 46 -8.866 -1.063 3.985 319 H GLU 47 H GLU 47 -11.526 -0.363 1.220 320 HA GLU 47 HA GLU 47 -11.199 2.380 1.101 321 HB2 GLU 47 HB2 GLU 47 -13.375 1.260 0.731 322 HB3 GLU 47 HB3 GLU 47 -13.513 0.948 2.456 323 HG2 GLU 47 HG2 GLU 47 -13.486 3.454 2.847 324 HG3 GLU 47 HG3 GLU 47 -13.513 3.663 1.092 325 H GLU 48 H GLU 48 -11.044 0.337 3.960 326 HA GLU 48 HA GLU 48 -11.368 2.088 6.072 327 HB2 GLU 48 HB2 GLU 48 -9.257 -0.100 5.902 328 HB3 GLU 48 HB3 GLU 48 -9.914 0.597 7.386 329 HG2 GLU 48 HG2 GLU 48 -11.387 -1.111 5.352 330 HG3 GLU 48 HG3 GLU 48 -10.915 -1.579 6.985 331 H PHE 49 H PHE 49 -8.335 1.572 4.203 332 HA PHE 49 HA PHE 49 -6.815 3.572 5.591 333 HB2 PHE 49 HB2 PHE 49 -5.648 1.787 4.416 334 HB3 PHE 49 HB3 PHE 49 -6.347 2.282 2.877 335 HD1 PHE 49 HD2 PHE 49 -4.250 3.664 5.683 336 HD2 PHE 49 HD1 PHE 49 -5.062 3.705 1.479 337 HE1 PHE 49 HE2 PHE 49 -2.383 5.222 5.328 338 HE2 PHE 49 HE1 PHE 49 -3.199 5.272 1.141 339 HZ PHE 49 HZ PHE 49 -1.857 6.029 3.063 340 H LEU 50 H LEU 50 -8.782 3.623 2.620 341 HA LEU 50 HA LEU 50 -8.065 6.305 1.909 342 HB2 LEU 50 HB2 LEU 50 -10.337 4.557 0.906 343 HB3 LEU 50 HB3 LEU 50 -9.984 6.152 0.292 344 HG LEU 50 HG LEU 50 -7.572 5.180 -0.159 345 HD11 LEU 50 HD11 LEU 50 -7.529 2.831 -0.767 346 HD12 LEU 50 HD12 LEU 50 -9.189 2.628 -0.203 347 HD13 LEU 50 HD13 LEU 50 -7.909 3.030 0.944 348 HD21 LEU 50 HD21 LEU 50 -8.215 4.569 -2.439 349 HD22 LEU 50 HD22 LEU 50 -9.060 6.024 -1.910 350 HD23 LEU 50 HD23 LEU 50 -9.910 4.477 -1.952 351 H LEU 51 H LEU 51 -10.388 5.007 4.125 352 HA LEU 51 HA LEU 51 -11.915 7.392 4.605 353 HB2 LEU 51 HB2 LEU 51 -11.428 4.984 6.416 354 HB3 LEU 51 HB3 LEU 51 -12.609 6.243 6.707 355 HG LEU 51 HG LEU 51 -12.709 4.285 4.391 356 HD11 LEU 51 HD11 LEU 51 -13.132 3.152 6.518 357 HD12 LEU 51 HD12 LEU 51 -14.599 3.241 5.545 358 HD13 LEU 51 HD13 LEU 51 -14.387 4.334 6.919 359 HD21 LEU 51 HD21 LEU 51 -13.737 6.436 3.811 360 HD22 LEU 51 HD22 LEU 51 -14.764 6.346 5.243 361 HD23 LEU 51 HD23 LEU 51 -14.946 5.161 3.946 362 H PHE 52 H PHE 52 -8.904 5.994 5.874 363 HA PHE 52 HA PHE 52 -8.291 8.140 7.697 364 HB2 PHE 52 HB2 PHE 52 -7.277 5.927 7.978 365 HB3 PHE 52 HB3 PHE 52 -6.519 6.034 6.395 366 HD1 PHE 52 HD1 PHE 52 -6.652 8.099 9.558 367 HD2 PHE 52 HD2 PHE 52 -4.209 6.471 6.439 368 HE1 PHE 52 HE1 PHE 52 -4.649 9.052 10.618 369 HE2 PHE 52 HE2 PHE 52 -2.214 7.430 7.509 370 HZ PHE 52 HZ PHE 52 -2.430 8.719 9.599 371 H SER 53 H SER 53 -7.760 7.589 4.252 372 HA SER 53 HA SER 53 -5.784 9.607 3.799 373 HB2 SER 53 HB2 SER 53 -7.710 8.285 1.843 374 HB3 SER 53 HB3 SER 53 -6.339 9.296 1.381 375 HG SER 53 HG SER 53 -5.846 7.127 3.077 376 H ARG 54 H ARG 54 -9.348 9.596 3.560 377 HA ARG 54 HA ARG 54 -9.604 12.337 2.760 378 HB2 ARG 54 HB2 ARG 54 -11.978 12.112 3.234 379 HB3 ARG 54 HB3 ARG 54 -11.435 10.626 2.459 380 HG2 ARG 54 HG2 ARG 54 -11.384 9.486 4.616 381 HG3 ARG 54 HG3 ARG 54 -11.812 10.976 5.447 382 HD2 ARG 54 HD2 ARG 54 -14.010 10.944 4.227 383 HD3 ARG 54 HD3 ARG 54 -13.567 9.356 3.575 384 HE ARG 54 HE ARG 54 -13.271 9.356 6.385 385 HH11 ARG 54 HH11 ARG 54 -15.781 9.180 4.023 386 HH12 ARG 54 HH12 ARG 54 -16.902 8.488 5.134 387 HH21 ARG 54 HH21 ARG 54 -14.705 8.470 7.761 388 HH22 ARG 54 HH22 ARG 54 -16.308 8.099 7.225 389 H ASP 55 H ASP 55 -9.316 10.677 5.837 390 HA ASP 55 HA ASP 55 -10.041 12.821 7.581 391 HB2 ASP 55 HB2 ASP 55 -10.167 10.413 8.185 392 HB3 ASP 55 HB3 ASP 55 -8.415 10.285 8.082 393 H ARG 56 H ARG 56 -7.016 11.783 6.089 394 HA ARG 56 HA ARG 56 -5.309 13.641 7.512 395 HB2 ARG 56 HB2 ARG 56 -4.414 11.500 6.612 396 HB3 ARG 56 HB3 ARG 56 -4.792 12.026 4.972 397 HG2 ARG 56 HG2 ARG 56 -3.196 13.941 5.269 398 HG3 ARG 56 HG3 ARG 56 -2.760 13.291 6.852 399 HD2 ARG 56 HD2 ARG 56 -2.394 11.857 4.196 400 HD3 ARG 56 HD3 ARG 56 -1.122 12.705 5.073 401 HE ARG 56 HE ARG 56 -2.227 10.086 5.644 402 HH11 ARG 56 HH11 ARG 56 -0.391 12.705 7.005 403 HH12 ARG 56 HH12 ARG 56 0.428 11.666 8.115 404 HH21 ARG 56 HH21 ARG 56 -1.151 8.818 7.048 405 HH22 ARG 56 HH22 ARG 56 0.019 9.496 8.129 406 H GLY 57 H GLY 57 -6.511 13.401 4.128 407 HA2 GLY 57 HA2 GLY 57 -6.049 16.322 3.739 408 HA3 GLY 57 HA3 GLY 57 -5.786 15.119 2.487 409 H ASN 58 H ASN 58 -7.614 14.089 1.511 410 HA ASN 58 HA ASN 58 -10.301 15.127 1.956 411 HB2 ASN 58 HB2 ASN 58 -8.960 16.833 0.509 412 HB3 ASN 58 HB3 ASN 58 -9.018 15.633 -0.770 413 HD21 ASN 58 HD21 ASN 58 -10.106 18.288 -0.834 414 HD22 ASN 58 HD22 ASN 58 -11.806 18.126 -1.097 415 H ASP 59 H ASP 59 -11.928 13.959 0.667 416 HA ASP 59 HA ASP 59 -11.536 11.197 0.347 417 HB2 ASP 59 HB2 ASP 59 -13.751 12.232 0.702 418 HB3 ASP 59 HB3 ASP 59 -13.669 12.997 -0.876 419 H LEU 60 H LEU 60 -11.472 9.851 -1.512 420 HA LEU 60 HA LEU 60 -10.773 11.046 -4.121 421 HB2 LEU 60 HB2 LEU 60 -8.649 10.576 -2.912 422 HB3 LEU 60 HB3 LEU 60 -9.120 8.892 -2.745 423 HG LEU 60 HG LEU 60 -9.008 8.603 -5.207 424 HD11 LEU 60 HD11 LEU 60 -8.066 11.484 -5.321 425 HD12 LEU 60 HD12 LEU 60 -9.598 10.857 -5.936 426 HD13 LEU 60 HD13 LEU 60 -8.083 10.340 -6.668 427 HD21 LEU 60 HD21 LEU 60 -7.014 8.114 -3.866 428 HD22 LEU 60 HD22 LEU 60 -6.460 9.782 -4.050 429 HD23 LEU 60 HD23 LEU 60 -6.571 8.724 -5.461 430 H MET 61 H MET 61 -11.810 8.192 -2.274 431 HA MET 61 HA MET 61 -12.257 6.540 -4.589 432 HB2 MET 61 HB2 MET 61 -13.143 4.849 -3.033 433 HB3 MET 61 HB3 MET 61 -11.600 5.481 -2.491 434 HG2 MET 61 HG2 MET 61 -14.274 6.346 -1.361 435 HG3 MET 61 HG3 MET 61 -13.238 5.100 -0.655 436 HE1 MET 61 HE1 MET 61 -14.244 7.529 1.082 437 HE2 MET 61 HE2 MET 61 -12.754 8.009 1.898 438 HE3 MET 61 HE3 MET 61 -13.138 6.296 1.687 439 H THR 62 H THR 62 -14.339 8.517 -2.521 440 HA THR 62 HA THR 62 -16.517 9.109 -2.531 441 HB THR 62 HB THR 62 -16.403 8.550 -5.536 442 HG1 THR 62 HG1 THR 62 -15.018 10.263 -4.217 443 HG21 THR 62 HG21 THR 62 -18.334 10.325 -3.978 444 HG22 THR 62 HG22 THR 62 -18.754 8.786 -4.733 445 HG23 THR 62 HG23 THR 62 -18.271 10.149 -5.741 446 HA PRO 63 HA PRO 63 -18.288 4.809 -2.134 447 HB2 PRO 63 HB2 PRO 63 -19.525 5.954 0.330 448 HB3 PRO 63 HB3 PRO 63 -18.489 4.533 0.150 449 HG2 PRO 63 HG2 PRO 63 -17.573 6.780 1.328 450 HG3 PRO 63 HG3 PRO 63 -16.516 5.775 0.312 451 HD2 PRO 63 HD2 PRO 63 -17.972 8.330 -0.425 452 HD3 PRO 63 HD3 PRO 63 -16.272 7.877 -0.718 453 H ARG 64 H ARG 64 -19.399 6.171 -4.070 454 HA ARG 64 HA ARG 64 -22.313 6.151 -3.647 455 HB2 ARG 64 HB2 ARG 64 -20.757 8.444 -4.957 456 HB3 ARG 64 HB3 ARG 64 -22.500 8.242 -5.094 457 HG2 ARG 64 HG2 ARG 64 -22.537 8.368 -2.504 458 HG3 ARG 64 HG3 ARG 64 -20.883 8.974 -2.640 459 HD2 ARG 64 HD2 ARG 64 -23.374 10.220 -3.861 460 HD3 ARG 64 HD3 ARG 64 -22.498 10.821 -2.455 461 HE ARG 64 HE ARG 64 -20.564 11.034 -4.166 462 HH11 ARG 64 HH11 ARG 64 -23.883 11.576 -4.984 463 HH12 ARG 64 HH12 ARG 64 -23.500 12.804 -6.135 464 HH21 ARG 64 HH21 ARG 64 -20.123 12.610 -5.656 465 HH22 ARG 64 HH22 ARG 64 -21.415 13.374 -6.511 466 HA PRO 65 HA PRO 65 -22.311 4.089 -7.723 467 HB2 PRO 65 HB2 PRO 65 -24.495 5.105 -9.034 468 HB3 PRO 65 HB3 PRO 65 -24.630 3.986 -7.669 469 HG2 PRO 65 HG2 PRO 65 -24.859 6.999 -7.683 470 HG3 PRO 65 HG3 PRO 65 -25.916 5.804 -6.895 471 HD2 PRO 65 HD2 PRO 65 -23.998 7.146 -5.519 472 HD3 PRO 65 HD3 PRO 65 -24.421 5.463 -5.119 473 H GLU 66 H GLU 66 -21.699 7.405 -7.484 474 HA GLU 66 HA GLU 66 -21.198 8.183 -10.145 475 HB2 GLU 66 HB2 GLU 66 -19.842 9.035 -7.575 476 HB3 GLU 66 HB3 GLU 66 -19.640 9.868 -9.115 477 HG2 GLU 66 HG2 GLU 66 -22.194 9.602 -7.507 478 HG3 GLU 66 HG3 GLU 66 -21.200 11.046 -7.664 479 H PHE 67 H PHE 67 -20.156 6.576 -11.271 480 HA PHE 67 HA PHE 67 -17.260 6.210 -10.734 481 HB2 PHE 67 HB2 PHE 67 -18.532 4.065 -10.963 482 HB3 PHE 67 HB3 PHE 67 -19.050 4.550 -12.573 483 HD1 PHE 67 HD2 PHE 67 -15.921 3.950 -10.568 484 HD2 PHE 67 HD1 PHE 67 -17.735 3.885 -14.445 485 HE1 PHE 67 HE2 PHE 67 -13.891 2.929 -11.512 486 HE2 PHE 67 HE1 PHE 67 -15.699 2.867 -15.375 487 HZ PHE 67 HZ PHE 67 -13.778 2.388 -13.912 488 H ASN 68 H ASN 68 -17.068 8.417 -11.412 489 HA ASN 68 HA ASN 68 -17.360 8.993 -14.301 490 HB2 ASN 68 HB2 ASN 68 -16.796 10.887 -11.969 491 HB3 ASN 68 HB3 ASN 68 -17.135 11.362 -13.634 492 HD21 ASN 68 HD21 ASN 68 -18.563 12.034 -11.161 493 HD22 ASN 68 HD22 ASN 68 -20.191 11.516 -11.403 494 H PHE 69 H PHE 69 -15.235 7.317 -13.021 495 HA PHE 69 HA PHE 69 -13.031 6.902 -12.918 496 HB2 PHE 69 HB2 PHE 69 -12.774 9.004 -15.110 497 HB3 PHE 69 HB3 PHE 69 -11.560 7.802 -14.690 498 HD1 PHE 69 HD1 PHE 69 -12.109 5.324 -15.052 499 HD2 PHE 69 HD2 PHE 69 -14.533 8.466 -16.655 500 HE1 PHE 69 HE1 PHE 69 -13.101 3.749 -16.657 501 HE2 PHE 69 HE2 PHE 69 -15.523 6.879 -18.256 502 HZ PHE 69 HZ PHE 69 -14.807 4.520 -18.258 503 HA PRO 70 HA PRO 70 -12.083 10.487 -10.091 504 HB2 PRO 70 HB2 PRO 70 -11.589 9.042 -7.840 505 HB3 PRO 70 HB3 PRO 70 -13.232 9.447 -8.354 506 HG2 PRO 70 HG2 PRO 70 -11.714 6.866 -8.749 507 HG3 PRO 70 HG3 PRO 70 -13.393 7.103 -8.219 508 HD2 PRO 70 HD2 PRO 70 -12.739 6.472 -10.808 509 HD3 PRO 70 HD3 PRO 70 -14.172 7.438 -10.389 510 H GLY 71 H GLY 71 -10.365 7.657 -11.121 511 HA2 GLY 71 HA2 GLY 71 -8.150 7.354 -11.669 512 HA3 GLY 71 HA3 GLY 71 -7.794 8.967 -11.078 513 H LEU 72 H LEU 72 -7.883 5.592 -10.328 514 HA LEU 72 HA LEU 72 -7.199 4.276 -8.641 515 HB2 LEU 72 HB2 LEU 72 -5.070 5.415 -8.813 516 HB3 LEU 72 HB3 LEU 72 -5.648 6.742 -7.830 517 HG LEU 72 HG LEU 72 -5.777 5.203 -5.857 518 HD11 LEU 72 HD11 LEU 72 -4.646 3.019 -5.924 519 HD12 LEU 72 HD12 LEU 72 -4.419 3.180 -7.668 520 HD13 LEU 72 HD13 LEU 72 -6.047 3.061 -6.996 521 HD21 LEU 72 HD21 LEU 72 -3.838 6.669 -6.206 522 HD22 LEU 72 HD22 LEU 72 -3.031 5.405 -7.138 523 HD23 LEU 72 HD23 LEU 72 -3.371 5.160 -5.426 524 H LYS 73 H LYS 73 -8.795 3.617 -7.360 525 HA LYS 73 HA LYS 73 -9.570 5.220 -5.005 526 HB2 LYS 73 HB2 LYS 73 -11.948 4.694 -5.379 527 HB3 LYS 73 HB3 LYS 73 -11.283 5.603 -6.735 528 HG2 LYS 73 HG2 LYS 73 -11.094 3.496 -8.033 529 HG3 LYS 73 HG3 LYS 73 -11.788 2.612 -6.668 530 HD2 LYS 73 HD2 LYS 73 -13.841 4.092 -6.882 531 HD3 LYS 73 HD3 LYS 73 -13.140 4.731 -8.372 532 HE2 LYS 73 HE2 LYS 73 -14.775 2.969 -8.865 533 HE3 LYS 73 HE3 LYS 73 -13.160 2.454 -9.350 534 HZ1 LYS 73 HZ1 LYS 73 -12.997 1.166 -7.314 535 HZ2 LYS 73 HZ2 LYS 73 -14.354 0.696 -8.212 536 HZ3 LYS 73 HZ3 LYS 73 -14.542 1.673 -6.842 537 H ALA 74 H ALA 74 -11.379 3.536 -3.830 538 HA ALA 74 HA ALA 74 -9.671 1.661 -2.546 539 HB1 ALA 74 HB1 ALA 74 -11.456 2.850 -1.346 540 HB2 ALA 74 HB2 ALA 74 -11.645 1.103 -1.182 541 HB3 ALA 74 HB3 ALA 74 -12.680 2.000 -2.298 542 H GLY 75 H GLY 75 -9.260 -0.419 -2.998 543 HA2 GLY 75 HA2 GLY 75 -9.493 -2.593 -3.718 544 HA3 GLY 75 HA3 GLY 75 -11.158 -2.261 -4.143 545 H ASP 76 H ASP 76 -8.515 -0.342 -5.432 546 HA ASP 76 HA ASP 76 -8.609 -1.755 -8.037 547 HB2 ASP 76 HB2 ASP 76 -8.773 1.251 -7.515 548 HB3 ASP 76 HB3 ASP 76 -8.392 0.568 -9.098 549 H ARG 77 H ARG 77 -6.561 -2.730 -8.015 550 HA ARG 77 HA ARG 77 -4.200 -1.230 -7.150 551 HB2 ARG 77 HB2 ARG 77 -2.943 -3.331 -7.663 552 HB3 ARG 77 HB3 ARG 77 -4.249 -3.532 -6.507 553 HG2 ARG 77 HG2 ARG 77 -5.670 -4.535 -8.271 554 HG3 ARG 77 HG3 ARG 77 -4.349 -4.346 -9.432 555 HD2 ARG 77 HD2 ARG 77 -2.932 -5.826 -8.046 556 HD3 ARG 77 HD3 ARG 77 -4.262 -6.018 -6.896 557 HE ARG 77 HE ARG 77 -4.425 -6.908 -9.719 558 HH11 ARG 77 HH11 ARG 77 -5.055 -7.515 -6.364 559 HH12 ARG 77 HH12 ARG 77 -5.685 -9.093 -6.668 560 HH21 ARG 77 HH21 ARG 77 -5.230 -8.907 -10.068 561 HH22 ARG 77 HH22 ARG 77 -5.807 -9.859 -8.744 562 H TRP 78 H TRP 78 -3.982 0.430 -8.593 563 HA TRP 78 HA TRP 78 -2.647 -0.056 -11.116 564 HB2 TRP 78 HB2 TRP 78 -5.464 1.104 -11.127 565 HB3 TRP 78 HB3 TRP 78 -4.317 1.540 -12.384 566 HD1 TRP 78 HD1 TRP 78 -6.784 -1.158 -11.460 567 HE1 TRP 78 HE1 TRP 78 -6.730 -3.016 -13.232 568 HE3 TRP 78 HE3 TRP 78 -2.585 0.276 -14.023 569 HZ2 TRP 78 HZ2 TRP 78 -5.143 -3.777 -15.433 570 HZ3 TRP 78 HZ3 TRP 78 -1.866 -1.075 -15.958 571 HH2 TRP 78 HH2 TRP 78 -3.121 -3.060 -16.645 572 H CYS 79 H CYS 79 -1.048 1.380 -11.080 573 HA CYS 79 HA CYS 79 0.237 3.214 -10.778 574 HB2 CYS 79 HB2 CYS 79 -2.412 4.663 -11.124 575 HB3 CYS 79 HB3 CYS 79 -0.828 5.430 -11.228 576 HG CYS 79 HG CYS 79 -0.020 4.102 -13.506 577 H LEU 80 H LEU 80 -1.141 1.999 -8.337 578 HA LEU 80 HA LEU 80 -1.507 4.058 -6.400 579 HB2 LEU 80 HB2 LEU 80 -2.467 1.738 -6.180 580 HB3 LEU 80 HB3 LEU 80 -0.847 1.099 -5.972 581 HG LEU 80 HG LEU 80 -2.275 1.289 -3.866 582 HD11 LEU 80 HD11 LEU 80 -0.513 1.956 -2.365 583 HD12 LEU 80 HD12 LEU 80 0.353 2.764 -3.673 584 HD13 LEU 80 HD13 LEU 80 0.155 1.012 -3.698 585 HD21 LEU 80 HD21 LEU 80 -2.497 3.439 -2.741 586 HD22 LEU 80 HD22 LEU 80 -3.317 3.452 -4.300 587 HD23 LEU 80 HD23 LEU 80 -1.757 4.260 -4.121 588 H CYS 81 H CYS 81 0.062 5.369 -5.705 589 HA CYS 81 HA CYS 81 2.843 5.014 -6.082 590 HB2 CYS 81 HB2 CYS 81 1.484 6.838 -4.048 591 HB3 CYS 81 HB3 CYS 81 3.123 7.008 -4.683 592 HG CYS 81 HG CYS 81 2.071 8.938 -6.124 593 H ALA 82 H ALA 82 4.088 3.568 -5.070 594 HA ALA 82 HA ALA 82 3.368 1.835 -3.043 595 HB1 ALA 82 HB1 ALA 82 5.230 1.435 -4.594 596 HB2 ALA 82 HB2 ALA 82 5.750 1.215 -2.922 597 HB3 ALA 82 HB3 ALA 82 6.180 2.687 -3.795 598 H SER 83 H SER 83 4.959 4.975 -2.718 599 HA SER 83 HA SER 83 5.783 4.920 -0.047 600 HB2 SER 83 HB2 SER 83 4.799 7.308 -1.659 601 HB3 SER 83 HB3 SER 83 5.748 7.401 -0.173 602 HG SER 83 HG SER 83 7.230 7.531 -1.759 603 H ARG 84 H ARG 84 2.529 5.608 -1.364 604 HA ARG 84 HA ARG 84 1.422 6.436 1.164 605 HB2 ARG 84 HB2 ARG 84 0.532 7.000 -1.257 606 HB3 ARG 84 HB3 ARG 84 -0.359 5.486 -1.093 607 HG2 ARG 84 HG2 ARG 84 -1.458 6.313 0.932 608 HG3 ARG 84 HG3 ARG 84 -0.492 7.785 0.890 609 HD2 ARG 84 HD2 ARG 84 -1.604 8.265 -1.377 610 HD3 ARG 84 HD3 ARG 84 -2.736 6.963 -0.976 611 HE ARG 84 HE ARG 84 -2.552 8.768 1.187 612 HH11 ARG 84 HH11 ARG 84 -4.074 8.552 -1.921 613 HH12 ARG 84 HH12 ARG 84 -5.176 9.833 -1.559 614 HH21 ARG 84 HH21 ARG 84 -3.927 10.408 1.578 615 HH22 ARG 84 HH22 ARG 84 -5.085 10.880 0.384 616 H TRP 85 H TRP 85 1.663 3.318 -0.491 617 HA TRP 85 HA TRP 85 0.108 1.798 1.387 618 HB2 TRP 85 HB2 TRP 85 0.524 0.865 -0.771 619 HB3 TRP 85 HB3 TRP 85 2.264 1.069 -0.612 620 HD1 TRP 85 HD1 TRP 85 2.671 -1.456 -1.219 621 HE1 TRP 85 HE1 TRP 85 2.527 -3.623 0.132 622 HE3 TRP 85 HE3 TRP 85 -0.276 0.100 2.699 623 HZ2 TRP 85 HZ2 TRP 85 1.394 -4.570 2.486 624 HZ3 TRP 85 HZ3 TRP 85 -0.824 -1.529 4.432 625 HH2 TRP 85 HH2 TRP 85 -0.015 -3.812 4.333 626 H GLN 86 H GLN 86 3.689 2.251 1.129 627 HA GLN 86 HA GLN 86 4.581 1.293 3.523 628 HB2 GLN 86 HB2 GLN 86 5.973 2.231 1.691 629 HB3 GLN 86 HB3 GLN 86 5.529 3.851 2.181 630 HG2 GLN 86 HG2 GLN 86 7.818 3.074 2.873 631 HG3 GLN 86 HG3 GLN 86 6.818 3.712 4.185 632 HE21 GLN 86 HE21 GLN 86 6.109 2.258 5.800 633 HE22 GLN 86 HE22 GLN 86 6.781 0.680 5.977 634 H GLU 87 H GLU 87 2.942 4.404 3.021 635 HA GLU 87 HA GLU 87 3.282 5.705 5.475 636 HB2 GLU 87 HB2 GLU 87 2.220 6.728 3.469 637 HB3 GLU 87 HB3 GLU 87 0.813 5.696 3.685 638 HG2 GLU 87 HG2 GLU 87 0.629 6.843 6.029 639 HG3 GLU 87 HG3 GLU 87 1.705 8.055 5.341 640 H ALA 88 H ALA 88 0.855 3.272 4.533 641 HA ALA 88 HA ALA 88 -0.804 3.414 6.854 642 HB1 ALA 88 HB1 ALA 88 -1.565 2.542 4.671 643 HB2 ALA 88 HB2 ALA 88 -1.883 1.418 5.995 644 HB3 ALA 88 HB3 ALA 88 -0.532 1.126 4.886 645 H PHE 89 H PHE 89 1.946 1.269 6.046 646 HA PHE 89 HA PHE 89 1.858 -0.438 8.302 647 HB2 PHE 89 HB2 PHE 89 3.302 -0.929 6.397 648 HB3 PHE 89 HB3 PHE 89 4.213 0.553 6.644 649 HD1 PHE 89 HD2 PHE 89 3.296 -2.567 8.556 650 HD2 PHE 89 HD1 PHE 89 6.322 0.335 7.677 651 HE1 PHE 89 HE2 PHE 89 4.901 -3.806 9.947 652 HE2 PHE 89 HE1 PHE 89 7.919 -0.915 9.074 653 HZ PHE 89 HZ PHE 89 7.211 -2.987 10.208 654 H GLU 90 H GLU 90 3.532 2.650 7.785 655 HA GLU 90 HA GLU 90 4.724 2.891 10.368 656 HB2 GLU 90 HB2 GLU 90 4.142 4.996 8.239 657 HB3 GLU 90 HB3 GLU 90 5.201 5.236 9.632 658 HG2 GLU 90 HG2 GLU 90 6.740 3.536 8.812 659 HG3 GLU 90 HG3 GLU 90 5.656 3.145 7.474 660 H ALA 91 H ALA 91 1.598 3.856 9.072 661 HA ALA 91 HA ALA 91 0.774 5.482 11.323 662 HB1 ALA 91 HB1 ALA 91 -0.189 5.821 9.076 663 HB2 ALA 91 HB2 ALA 91 -1.451 5.437 10.246 664 HB3 ALA 91 HB3 ALA 91 -0.889 4.201 9.114 665 H GLY 92 H GLY 92 0.754 2.081 10.541 666 HA2 GLY 92 HA2 GLY 92 0.403 0.270 11.945 667 HA3 GLY 92 HA3 GLY 92 -0.256 1.340 13.169 668 H MET 93 H MET 93 -1.457 1.274 9.851 669 HA MET 93 HA MET 93 -3.793 -0.370 10.584 670 HB2 MET 93 HB2 MET 93 -5.373 1.263 9.694 671 HB3 MET 93 HB3 MET 93 -4.424 1.986 10.976 672 HG2 MET 93 HG2 MET 93 -3.116 3.259 9.416 673 HG3 MET 93 HG3 MET 93 -3.837 2.417 8.041 674 HE1 MET 93 HE1 MET 93 -7.572 3.666 8.235 675 HE2 MET 93 HE2 MET 93 -6.934 2.253 9.072 676 HE3 MET 93 HE3 MET 93 -6.440 2.590 7.412 677 H ALA 94 H ALA 94 -1.386 -0.617 8.847 678 HA ALA 94 HA ALA 94 -1.564 -0.637 6.187 679 HB1 ALA 94 HB1 ALA 94 -0.622 -2.998 7.843 680 HB2 ALA 94 HB2 ALA 94 0.316 -1.550 7.465 681 HB3 ALA 94 HB3 ALA 94 -0.160 -2.648 6.172 682 HA PRO 95 HA PRO 95 -5.322 -3.175 5.007 683 HB2 PRO 95 HB2 PRO 95 -4.232 -2.254 2.333 684 HB3 PRO 95 HB3 PRO 95 -5.905 -2.282 2.916 685 HG2 PRO 95 HG2 PRO 95 -4.616 0.016 2.828 686 HG3 PRO 95 HG3 PRO 95 -5.605 -0.372 4.255 687 HD2 PRO 95 HD2 PRO 95 -2.598 -0.548 3.934 688 HD3 PRO 95 HD3 PRO 95 -3.548 0.125 5.281 689 HA PRO 96 HA PRO 96 -3.102 -6.852 3.460 690 HB2 PRO 96 HB2 PRO 96 -5.509 -7.828 2.058 691 HB3 PRO 96 HB3 PRO 96 -4.735 -8.474 3.508 692 HG2 PRO 96 HG2 PRO 96 -7.175 -7.234 3.556 693 HG3 PRO 96 HG3 PRO 96 -6.061 -7.213 4.938 694 HD2 PRO 96 HD2 PRO 96 -6.546 -5.071 2.861 695 HD3 PRO 96 HD3 PRO 96 -6.354 -4.911 4.624 696 H VAL 97 H VAL 97 -1.641 -6.465 1.817 697 HA VAL 97 HA VAL 97 -2.584 -5.625 -0.844 698 HB VAL 97 HB VAL 97 -0.661 -4.411 0.339 699 HG11 VAL 97 HG11 VAL 97 0.984 -6.840 -0.446 700 HG12 VAL 97 HG12 VAL 97 0.560 -6.368 1.202 701 HG13 VAL 97 HG13 VAL 97 1.595 -5.319 0.230 702 HG21 VAL 97 HG21 VAL 97 0.690 -4.089 -1.732 703 HG22 VAL 97 HG22 VAL 97 -1.051 -4.021 -2.031 704 HG23 VAL 97 HG23 VAL 97 -0.138 -5.470 -2.462 705 H VAL 98 H VAL 98 -1.499 -6.703 -2.725 706 HA VAL 98 HA VAL 98 -1.462 -9.642 -2.390 707 HB VAL 98 HB VAL 98 -3.352 -8.962 -3.697 708 HG11 VAL 98 HG11 VAL 98 -3.247 -7.559 -5.730 709 HG12 VAL 98 HG12 VAL 98 -1.517 -7.315 -5.473 710 HG13 VAL 98 HG13 VAL 98 -2.677 -6.685 -4.302 711 HG21 VAL 98 HG21 VAL 98 -2.991 -10.066 -5.873 712 HG22 VAL 98 HG22 VAL 98 -2.219 -10.967 -4.566 713 HG23 VAL 98 HG23 VAL 98 -1.242 -9.967 -5.644 714 H LEU 99 H LEU 99 0.701 -10.071 -2.054 715 HA LEU 99 HA LEU 99 2.975 -8.868 -3.085 716 HB2 LEU 99 HB2 LEU 99 2.421 -11.662 -2.071 717 HB3 LEU 99 HB3 LEU 99 4.007 -11.308 -2.724 718 HG LEU 99 HG LEU 99 2.774 -9.819 -0.371 719 HD11 LEU 99 HD11 LEU 99 4.318 -11.081 1.054 720 HD12 LEU 99 HD12 LEU 99 4.853 -12.030 -0.338 721 HD13 LEU 99 HD13 LEU 99 3.186 -12.156 0.233 722 HD21 LEU 99 HD21 LEU 99 4.400 -8.456 -1.594 723 HD22 LEU 99 HD22 LEU 99 5.597 -9.748 -1.487 724 HD23 LEU 99 HD23 LEU 99 5.043 -8.934 -0.022 725 H GLN 100 H GLN 100 1.105 -11.511 -4.554 726 HA GLN 100 HA GLN 100 2.979 -12.108 -6.658 727 HB2 GLN 100 HB2 GLN 100 1.162 -13.618 -7.505 728 HB3 GLN 100 HB3 GLN 100 1.562 -13.876 -5.810 729 HG2 GLN 100 HG2 GLN 100 -0.438 -12.560 -5.153 730 HG3 GLN 100 HG3 GLN 100 -0.853 -12.358 -6.853 731 HE21 GLN 100 HE21 GLN 100 -1.617 -14.183 -8.011 732 HE22 GLN 100 HE22 GLN 100 -2.220 -15.578 -7.195 733 H SER 101 H SER 101 0.938 -9.477 -6.346 734 HA SER 101 HA SER 101 1.010 -8.961 -9.277 735 HB2 SER 101 HB2 SER 101 -1.329 -9.124 -8.504 736 HB3 SER 101 HB3 SER 101 -1.026 -7.914 -7.259 737 HG SER 101 HG SER 101 -1.200 -7.596 -10.055 738 H THR 102 H THR 102 1.780 -7.793 -6.060 739 HA THR 102 HA THR 102 2.456 -5.093 -6.816 740 HB THR 102 HB THR 102 3.243 -6.580 -4.265 741 HG1 THR 102 HG1 THR 102 0.880 -5.263 -5.056 742 HG21 THR 102 HG21 THR 102 3.078 -3.581 -4.824 743 HG22 THR 102 HG22 THR 102 4.574 -4.505 -4.643 744 HG23 THR 102 HG23 THR 102 3.479 -4.327 -3.273 745 H GLU 103 H GLU 103 4.062 -4.841 -8.216 746 HA GLU 103 HA GLU 103 6.175 -6.666 -8.694 747 HB2 GLU 103 HB2 GLU 103 5.016 -4.677 -10.185 748 HB3 GLU 103 HB3 GLU 103 6.453 -3.820 -9.661 749 HG2 GLU 103 HG2 GLU 103 6.386 -6.413 -11.246 750 HG3 GLU 103 HG3 GLU 103 6.732 -4.813 -11.887 751 H LYS 104 H LYS 104 8.450 -6.346 -8.417 752 HA LYS 104 HA LYS 104 9.308 -5.577 -5.831 753 HB2 LYS 104 HB2 LYS 104 10.786 -6.427 -8.337 754 HB3 LYS 104 HB3 LYS 104 11.648 -6.029 -6.859 755 HG2 LYS 104 HG2 LYS 104 11.368 -8.450 -7.132 756 HG3 LYS 104 HG3 LYS 104 10.573 -7.865 -5.671 757 HD2 LYS 104 HD2 LYS 104 8.384 -8.044 -6.722 758 HD3 LYS 104 HD3 LYS 104 9.107 -8.412 -8.287 759 HE2 LYS 104 HE2 LYS 104 9.357 -10.187 -5.835 760 HE3 LYS 104 HE3 LYS 104 8.149 -10.405 -7.107 761 HZ1 LYS 104 HZ1 LYS 104 11.094 -10.539 -7.437 762 HZ2 LYS 104 HZ2 LYS 104 9.985 -10.632 -8.705 763 HZ3 LYS 104 HZ3 LYS 104 10.014 -11.834 -7.517 764 H SER 105 H SER 105 9.038 -3.729 -8.734 765 HA SER 105 HA SER 105 10.749 -1.550 -8.353 766 HB2 SER 105 HB2 SER 105 7.901 -1.641 -9.431 767 HB3 SER 105 HB3 SER 105 8.887 -0.180 -9.473 768 HG SER 105 HG SER 105 9.589 -2.658 -10.676 769 H ALA 106 H ALA 106 7.767 -2.387 -6.674 770 HA ALA 106 HA ALA 106 7.197 -0.058 -5.250 771 HB1 ALA 106 HB1 ALA 106 6.856 -2.923 -4.303 772 HB2 ALA 106 HB2 ALA 106 5.712 -2.016 -5.293 773 HB3 ALA 106 HB3 ALA 106 6.032 -1.505 -3.634 774 H LEU 107 H LEU 107 9.556 -2.633 -4.483 775 HA LEU 107 HA LEU 107 10.225 -1.927 -1.839 776 HB2 LEU 107 HB2 LEU 107 11.656 -3.486 -3.984 777 HB3 LEU 107 HB3 LEU 107 12.534 -3.081 -2.522 778 HG LEU 107 HG LEU 107 10.903 -4.315 -1.145 779 HD11 LEU 107 HD11 LEU 107 9.179 -5.736 -2.156 780 HD12 LEU 107 HD12 LEU 107 9.535 -5.065 -3.751 781 HD13 LEU 107 HD13 LEU 107 8.876 -4.029 -2.482 782 HD21 LEU 107 HD21 LEU 107 11.989 -5.993 -3.447 783 HD22 LEU 107 HD22 LEU 107 11.506 -6.591 -1.857 784 HD23 LEU 107 HD23 LEU 107 12.886 -5.505 -2.002 785 H ARG 108 H ARG 108 10.940 -0.158 -4.647 786 HA ARG 108 HA ARG 108 13.425 1.067 -3.694 787 HB2 ARG 108 HB2 ARG 108 11.733 1.600 -6.178 788 HB3 ARG 108 HB3 ARG 108 13.308 2.329 -5.844 789 HG2 ARG 108 HG2 ARG 108 14.359 0.090 -5.875 790 HG3 ARG 108 HG3 ARG 108 12.786 -0.648 -6.203 791 HD2 ARG 108 HD2 ARG 108 12.671 0.441 -8.370 792 HD3 ARG 108 HD3 ARG 108 14.133 1.377 -8.026 793 HE ARG 108 HE ARG 108 14.304 -1.568 -8.064 794 HH11 ARG 108 HH11 ARG 108 15.137 1.415 -9.624 795 HH12 ARG 108 HH12 ARG 108 16.348 0.670 -10.604 796 HH21 ARG 108 HH21 ARG 108 15.899 -2.455 -9.314 797 HH22 ARG 108 HH22 ARG 108 16.771 -1.468 -10.433 798 H TYR 109 H TYR 109 10.152 1.527 -3.171 799 HA TYR 109 HA TYR 109 10.450 4.352 -2.329 800 HB2 TYR 109 HB2 TYR 109 7.897 3.006 -3.343 801 HB3 TYR 109 HB3 TYR 109 8.078 4.701 -2.905 802 HD1 TYR 109 HD1 TYR 109 9.029 2.124 -5.436 803 HD2 TYR 109 HD2 TYR 109 8.983 6.305 -4.513 804 HE1 TYR 109 HE1 TYR 109 9.658 2.642 -7.752 805 HE2 TYR 109 HE2 TYR 109 9.609 6.817 -6.836 806 HH TYR 109 HH TYR 109 10.809 5.614 -8.732 807 H VAL 110 H VAL 110 8.589 1.309 -1.743 808 HA VAL 110 HA VAL 110 8.316 1.803 1.114 809 HB VAL 110 HB VAL 110 7.239 -0.360 1.313 810 HG11 VAL 110 HG11 VAL 110 6.270 0.834 -1.274 811 HG12 VAL 110 HG12 VAL 110 5.795 1.329 0.356 812 HG13 VAL 110 HG13 VAL 110 5.388 -0.292 -0.222 813 HG21 VAL 110 HG21 VAL 110 8.019 -0.996 -1.538 814 HG22 VAL 110 HG22 VAL 110 7.030 -1.996 -0.477 815 HG23 VAL 110 HG23 VAL 110 8.720 -1.703 -0.094 816 H SER 111 H SER 111 8.874 -0.375 2.437 817 HA SER 111 HA SER 111 11.394 -1.661 1.554 818 HB2 SER 111 HB2 SER 111 11.546 -0.655 3.753 819 HB3 SER 111 HB3 SER 111 10.108 -1.498 4.308 820 HG SER 111 HG SER 111 12.642 -2.320 4.328 821 H LEU 112 H LEU 112 11.372 -3.963 1.445 822 HA LEU 112 HA LEU 112 9.152 -5.397 0.668 823 HB2 LEU 112 HB2 LEU 112 11.342 -6.286 0.314 824 HB3 LEU 112 HB3 LEU 112 11.703 -6.275 2.019 825 HG LEU 112 HG LEU 112 9.507 -8.133 1.107 826 HD11 LEU 112 HD11 LEU 112 11.249 -8.516 -0.585 827 HD12 LEU 112 HD12 LEU 112 11.090 -9.900 0.494 828 HD13 LEU 112 HD13 LEU 112 12.444 -8.780 0.689 829 HD21 LEU 112 HD21 LEU 112 10.462 -9.614 2.869 830 HD22 LEU 112 HD22 LEU 112 10.010 -8.033 3.504 831 HD23 LEU 112 HD23 LEU 112 11.713 -8.404 3.192 832 H ALA 113 H ALA 113 10.310 -4.893 3.970 833 HA ALA 113 HA ALA 113 8.712 -6.648 5.437 834 HB1 ALA 113 HB1 ALA 113 10.630 -5.427 6.350 835 HB2 ALA 113 HB2 ALA 113 9.202 -5.205 7.364 836 HB3 ALA 113 HB3 ALA 113 9.725 -3.916 6.270 837 H ASP 114 H ASP 114 7.831 -3.448 4.114 838 HA ASP 114 HA ASP 114 5.410 -3.046 5.539 839 HB2 ASP 114 HB2 ASP 114 6.328 -1.151 4.453 840 HB3 ASP 114 HB3 ASP 114 6.568 -2.013 2.938 841 H LEU 115 H LEU 115 6.128 -4.632 2.423 842 HA LEU 115 HA LEU 115 3.426 -5.074 1.623 843 HB2 LEU 115 HB2 LEU 115 5.769 -6.811 0.746 844 HB3 LEU 115 HB3 LEU 115 4.292 -6.453 -0.137 845 HG LEU 115 HG LEU 115 6.764 -4.728 0.222 846 HD11 LEU 115 HD11 LEU 115 5.204 -5.577 -2.233 847 HD12 LEU 115 HD12 LEU 115 6.760 -6.226 -1.690 848 HD13 LEU 115 HD13 LEU 115 6.643 -4.546 -2.223 849 HD21 LEU 115 HD21 LEU 115 4.921 -3.240 0.729 850 HD22 LEU 115 HD22 LEU 115 4.083 -3.727 -0.750 851 HD23 LEU 115 HD23 LEU 115 5.618 -2.853 -0.842 852 H GLN 116 H GLN 116 5.868 -7.078 3.172 853 HA GLN 116 HA GLN 116 4.353 -9.519 3.247 854 HB2 GLN 116 HB2 GLN 116 6.915 -8.732 4.688 855 HB3 GLN 116 HB3 GLN 116 6.328 -10.376 4.452 856 HG2 GLN 116 HG2 GLN 116 6.704 -8.742 1.985 857 HG3 GLN 116 HG3 GLN 116 8.168 -9.184 2.844 858 HE21 GLN 116 HE21 GLN 116 7.383 -9.970 0.211 859 HE22 GLN 116 HE22 GLN 116 7.236 -11.686 0.197 860 H ALA 117 H ALA 117 4.819 -6.840 5.462 861 HA ALA 117 HA ALA 117 3.997 -7.856 7.930 862 HB1 ALA 117 HB1 ALA 117 4.807 -5.548 7.621 863 HB2 ALA 117 HB2 ALA 117 3.268 -5.565 8.484 864 HB3 ALA 117 HB3 ALA 117 3.318 -5.133 6.771 865 H HIS 118 H HIS 118 1.992 -7.014 5.132 866 HA HIS 118 HA HIS 118 -0.362 -8.228 6.444 867 HB2 HIS 118 HB2 HIS 118 -0.081 -5.402 5.824 868 HB3 HIS 118 HB3 HIS 118 -1.345 -6.067 4.800 869 HD1 HIS 118 HD1 HIS 118 -0.501 -5.396 8.387 870 HD2 HIS 118 HD2 HIS 118 -3.681 -6.867 6.151 871 HE1 HIS 118 HE1 HIS 118 -2.443 -5.493 9.969 872 HE2 HIS 118 HE2 HIS 118 -4.392 -6.182 8.540 873 H ALA 119 H ALA 119 1.518 -9.249 4.488 874 HA ALA 119 HA ALA 119 -0.519 -10.407 2.746 875 HB1 ALA 119 HB1 ALA 119 0.384 -8.592 1.344 876 HB2 ALA 119 HB2 ALA 119 0.812 -10.174 0.688 877 HB3 ALA 119 HB3 ALA 119 2.020 -9.224 1.560 878 H LEU 120 H LEU 120 -0.229 -12.555 2.559 879 HA LEU 120 HA LEU 120 1.906 -13.797 4.068 880 HB2 LEU 120 HB2 LEU 120 -0.671 -14.760 2.836 881 HB3 LEU 120 HB3 LEU 120 0.539 -15.947 3.265 882 HG LEU 120 HG LEU 120 -1.125 -15.751 5.043 883 HD11 LEU 120 HD11 LEU 120 0.353 -15.406 6.961 884 HD12 LEU 120 HD12 LEU 120 1.550 -14.630 5.916 885 HD13 LEU 120 HD13 LEU 120 1.147 -16.333 5.686 886 HD21 LEU 120 HD21 LEU 120 -1.852 -13.427 4.687 887 HD22 LEU 120 HD22 LEU 120 -0.319 -12.832 5.331 888 HD23 LEU 120 HD23 LEU 120 -1.436 -13.718 6.375 889 HA PRO 121 HA PRO 121 4.718 -14.760 0.751 890 HB2 PRO 121 HB2 PRO 121 5.360 -17.307 2.207 891 HB3 PRO 121 HB3 PRO 121 6.417 -15.961 1.775 892 HG2 PRO 121 HG2 PRO 121 5.667 -16.311 4.312 893 HG3 PRO 121 HG3 PRO 121 5.776 -14.675 3.627 894 HD2 PRO 121 HD2 PRO 121 3.318 -16.391 4.039 895 HD3 PRO 121 HD3 PRO 121 3.564 -14.671 4.425 896 H VAL 122 H VAL 122 3.449 -15.187 -1.015 897 HA VAL 122 HA VAL 122 1.869 -17.510 -1.457 898 HB VAL 122 HB VAL 122 1.384 -15.362 -2.557 899 HG11 VAL 122 HG11 VAL 122 3.661 -14.518 -2.918 900 HG12 VAL 122 HG12 VAL 122 2.744 -14.475 -4.426 901 HG13 VAL 122 HG13 VAL 122 3.944 -15.743 -4.159 902 HG21 VAL 122 HG21 VAL 122 1.997 -17.533 -4.603 903 HG22 VAL 122 HG22 VAL 122 0.894 -16.174 -4.842 904 HG23 VAL 122 HG23 VAL 122 0.527 -17.405 -3.633 905 H LEU 123 H LEU 123 2.256 -19.339 -2.773 906 HA LEU 123 HA LEU 123 4.900 -20.403 -2.603 907 HB2 LEU 123 HB2 LEU 123 2.816 -21.742 -2.301 908 HB3 LEU 123 HB3 LEU 123 2.476 -21.557 -4.004 909 HG LEU 123 HG LEU 123 5.128 -22.808 -3.351 910 HD11 LEU 123 HD11 LEU 123 3.729 -23.911 -1.686 911 HD12 LEU 123 HD12 LEU 123 4.208 -25.035 -2.955 912 HD13 LEU 123 HD13 LEU 123 2.570 -24.372 -2.937 913 HD21 LEU 123 HD21 LEU 123 4.632 -24.244 -5.281 914 HD22 LEU 123 HD22 LEU 123 4.419 -22.548 -5.707 915 HD23 LEU 123 HD23 LEU 123 3.006 -23.561 -5.400 916 H GLU 124 H GLU 124 6.427 -19.791 -3.899 917 HA GLU 124 HA GLU 124 6.079 -19.584 -6.828 918 HB2 GLU 124 HB2 GLU 124 7.064 -17.603 -5.763 919 HB3 GLU 124 HB3 GLU 124 8.278 -18.592 -4.961 920 HG2 GLU 124 HG2 GLU 124 9.318 -19.111 -7.118 921 HG3 GLU 124 HG3 GLU 124 8.059 -18.212 -7.963 922 H HIS 125 H HIS 125 8.487 -20.683 -4.441 923 HA HIS 125 HA HIS 125 8.673 -23.387 -5.136 924 HB2 HIS 125 HB2 HIS 125 9.681 -22.618 -7.276 925 HB3 HIS 125 HB3 HIS 125 10.865 -21.658 -6.404 926 HD1 HIS 125 HD1 HIS 125 10.158 -25.116 -7.573 927 HD2 HIS 125 HD2 HIS 125 12.976 -23.184 -5.214 928 HE1 HIS 125 HE1 HIS 125 12.048 -26.743 -7.322 929 HE2 HIS 125 HE2 HIS 125 13.839 -25.442 -6.125 930 H HIS 126 H HIS 126 9.059 -23.951 -2.987 931 HA HIS 126 HA HIS 126 11.093 -22.469 -1.463 932 HB2 HIS 126 HB2 HIS 126 10.356 -23.657 0.523 933 HB3 HIS 126 HB3 HIS 126 8.968 -22.985 -0.315 934 HD1 HIS 126 HD1 HIS 126 7.291 -24.688 -1.378 935 HD2 HIS 126 HD2 HIS 126 10.365 -26.434 0.810 936 HE1 HIS 126 HE1 HIS 126 6.566 -27.056 -0.964 937 HE2 HIS 126 HE2 HIS 126 8.460 -28.107 0.307 938 H HIS 127 H HIS 127 13.137 -23.051 -1.497 939 HA HIS 127 HA HIS 127 13.890 -25.874 -1.186 940 HB2 HIS 127 HB2 HIS 127 14.191 -25.418 -3.613 941 HB3 HIS 127 HB3 HIS 127 15.203 -24.024 -3.248 942 HD1 HIS 127 HD1 HIS 127 17.642 -24.488 -2.527 943 HD2 HIS 127 HD2 HIS 127 15.456 -27.948 -3.249 944 HE1 HIS 127 HE1 HIS 127 19.324 -26.347 -2.553 945 HE2 HIS 127 HE2 HIS 127 17.993 -28.426 -3.017 946 H HIS 128 H HIS 128 15.151 -26.013 0.557 947 HA HIS 128 HA HIS 128 17.109 -23.908 1.223 948 HB2 HIS 128 HB2 HIS 128 14.910 -23.644 2.555 949 HB3 HIS 128 HB3 HIS 128 15.289 -25.176 3.328 950 HD1 HIS 128 HD1 HIS 128 17.326 -25.183 4.995 951 HD2 HIS 128 HD2 HIS 128 16.303 -21.439 3.507 952 HE1 HIS 128 HE1 HIS 128 18.581 -23.529 6.413 953 HE2 HIS 128 HE2 HIS 128 17.991 -21.280 5.456 954 H HIS 129 H HIS 129 18.788 -24.730 2.747 955 HA HIS 129 HA HIS 129 19.011 -27.659 3.004 956 HB2 HIS 129 HB2 HIS 129 20.153 -27.066 0.869 957 HB3 HIS 129 HB3 HIS 129 21.182 -25.925 1.725 958 HD1 HIS 129 HD1 HIS 129 23.121 -26.925 3.147 959 HD2 HIS 129 HD2 HIS 129 20.856 -29.779 1.154 960 HE1 HIS 129 HE1 HIS 129 24.438 -29.047 3.291 961 HE2 HIS 129 HE2 HIS 129 23.164 -30.688 1.879 962 H HIS 130 H HIS 130 19.883 -28.239 4.941 963 HA HIS 130 HA HIS 130 20.991 -26.259 6.768 964 HB2 HIS 130 HB2 HIS 130 20.534 -29.258 7.067 965 HB3 HIS 130 HB3 HIS 130 21.217 -28.248 8.335 966 HD1 HIS 130 HD1 HIS 130 19.594 -26.964 9.797 967 HD2 HIS 130 HD2 HIS 130 17.752 -28.699 6.497 968 HE1 HIS 130 HE1 HIS 130 17.129 -26.654 10.161 969 HE2 HIS 130 HE2 HIS 130 16.031 -27.769 8.199 Start of MODEL 14 1 H1 MET 1 H1 MET 1 33.143 22.075 -17.460 2 H2 MET 1 H2 MET 1 32.186 23.129 -18.370 3 H3 MET 1 H3 MET 1 32.658 21.643 -19.020 4 HA MET 1 HA MET 1 30.937 21.978 -16.636 5 HB2 MET 1 HB2 MET 1 29.049 21.248 -18.105 6 HB3 MET 1 HB3 MET 1 29.733 22.792 -18.590 7 HG2 MET 1 HG2 MET 1 30.964 21.691 -20.410 8 HG3 MET 1 HG3 MET 1 30.300 20.132 -19.922 9 HE1 MET 1 HE1 MET 1 26.503 20.509 -20.830 10 HE2 MET 1 HE2 MET 1 27.236 20.773 -19.249 11 HE3 MET 1 HE3 MET 1 27.760 19.417 -20.249 12 H GLY 2 H GLY 2 30.276 20.080 -15.634 13 HA2 GLY 2 HA2 GLY 2 31.683 17.580 -16.383 14 HA3 GLY 2 HA3 GLY 2 31.018 17.969 -14.805 15 H GLN 3 H GLN 3 28.618 18.944 -16.736 16 HA GLN 3 HA GLN 3 26.907 16.689 -16.309 17 HB2 GLN 3 HB2 GLN 3 26.350 19.267 -16.525 18 HB3 GLN 3 HB3 GLN 3 26.293 18.960 -18.249 19 HG2 GLN 3 HG2 GLN 3 24.511 17.686 -16.143 20 HG3 GLN 3 HG3 GLN 3 24.055 18.992 -17.223 21 HE21 GLN 3 HE21 GLN 3 23.802 18.488 -19.499 22 HE22 GLN 3 HE22 GLN 3 23.447 16.869 -19.993 23 H GLY 4 H GLY 4 26.420 14.996 -17.677 24 HA2 GLY 4 HA2 GLY 4 28.020 14.379 -19.950 25 HA3 GLY 4 HA3 GLY 4 26.608 13.496 -19.403 26 H GLN 5 H GLN 5 27.851 15.550 -21.767 27 HA GLN 5 HA GLN 5 25.213 15.905 -23.075 28 HB2 GLN 5 HB2 GLN 5 25.987 18.084 -22.243 29 HB3 GLN 5 HB3 GLN 5 27.560 17.850 -22.996 30 HG2 GLN 5 HG2 GLN 5 26.535 17.980 -25.231 31 HG3 GLN 5 HG3 GLN 5 24.939 18.156 -24.506 32 HE21 GLN 5 HE21 GLN 5 24.606 20.165 -25.526 33 HE22 GLN 5 HE22 GLN 5 25.440 21.598 -25.035 34 H ASN 6 H ASN 6 25.117 14.966 -25.031 35 HA ASN 6 HA ASN 6 27.570 14.113 -26.440 36 HB2 ASN 6 HB2 ASN 6 24.661 13.279 -26.856 37 HB3 ASN 6 HB3 ASN 6 26.036 12.634 -27.754 38 HD21 ASN 6 HD21 ASN 6 27.545 11.312 -26.630 39 HD22 ASN 6 HD22 ASN 6 27.121 10.529 -25.152 40 H VAL 7 H VAL 7 27.546 14.271 -28.842 41 HA VAL 7 HA VAL 7 27.401 16.963 -29.656 42 HB VAL 7 HB VAL 7 28.066 16.149 -31.918 43 HG11 VAL 7 HG11 VAL 7 29.805 16.463 -30.201 44 HG12 VAL 7 HG12 VAL 7 30.219 15.119 -31.263 45 HG13 VAL 7 HG13 VAL 7 29.585 14.800 -29.648 46 HG21 VAL 7 HG21 VAL 7 28.388 13.720 -32.349 47 HG22 VAL 7 HG22 VAL 7 26.690 14.094 -32.044 48 HG23 VAL 7 HG23 VAL 7 27.666 13.343 -30.780 49 H LEU 8 H LEU 8 24.986 14.475 -29.902 50 HA LEU 8 HA LEU 8 23.438 15.872 -31.940 51 HB2 LEU 8 HB2 LEU 8 21.774 13.964 -31.646 52 HB3 LEU 8 HB3 LEU 8 23.318 13.592 -32.363 53 HG LEU 8 HG LEU 8 22.433 11.800 -30.885 54 HD11 LEU 8 HD11 LEU 8 25.069 12.915 -29.929 55 HD12 LEU 8 HD12 LEU 8 24.801 11.862 -31.320 56 HD13 LEU 8 HD13 LEU 8 24.482 11.264 -29.694 57 HD21 LEU 8 HD21 LEU 8 22.457 11.981 -28.451 58 HD22 LEU 8 HD22 LEU 8 21.316 13.116 -29.167 59 HD23 LEU 8 HD23 LEU 8 22.870 13.696 -28.563 60 H GLY 9 H GLY 9 23.686 16.037 -28.584 61 HA2 GLY 9 HA2 GLY 9 22.579 17.333 -27.042 62 HA3 GLY 9 HA3 GLY 9 21.546 17.924 -28.328 63 H GLN 10 H GLN 10 21.737 15.855 -25.588 64 HA GLN 10 HA GLN 10 19.010 14.855 -26.015 65 HB2 GLN 10 HB2 GLN 10 19.726 12.572 -25.172 66 HB3 GLN 10 HB3 GLN 10 20.295 12.995 -26.777 67 HG2 GLN 10 HG2 GLN 10 22.174 11.983 -25.847 68 HG3 GLN 10 HG3 GLN 10 22.509 13.688 -25.594 69 HE21 GLN 10 HE21 GLN 10 22.599 14.472 -23.447 70 HE22 GLN 10 HE22 GLN 10 22.602 13.416 -22.084 71 H ASP 11 H ASP 11 17.895 14.191 -24.113 72 HA ASP 11 HA ASP 11 19.022 14.552 -21.472 73 HB2 ASP 11 HB2 ASP 11 18.504 16.916 -22.321 74 HB3 ASP 11 HB3 ASP 11 16.799 16.477 -22.310 75 H LEU 12 H LEU 12 17.367 12.719 -23.345 76 HA LEU 12 HA LEU 12 15.244 11.904 -21.441 77 HB2 LEU 12 HB2 LEU 12 15.744 11.025 -24.322 78 HB3 LEU 12 HB3 LEU 12 14.412 10.482 -23.313 79 HG LEU 12 HG LEU 12 14.826 13.334 -24.310 80 HD11 LEU 12 HD11 LEU 12 12.871 12.953 -25.731 81 HD12 LEU 12 HD12 LEU 12 12.775 11.276 -25.186 82 HD13 LEU 12 HD13 LEU 12 14.169 11.825 -26.121 83 HD21 LEU 12 HD21 LEU 12 12.602 13.811 -23.369 84 HD22 LEU 12 HD22 LEU 12 13.741 13.326 -22.116 85 HD23 LEU 12 HD23 LEU 12 12.528 12.180 -22.692 86 H GLU 13 H GLU 13 15.037 9.465 -21.171 87 HA GLU 13 HA GLU 13 17.582 8.299 -20.466 88 HB2 GLU 13 HB2 GLU 13 16.118 6.285 -19.790 89 HB3 GLU 13 HB3 GLU 13 15.906 7.778 -18.904 90 HG2 GLU 13 HG2 GLU 13 13.751 6.743 -19.246 91 HG3 GLU 13 HG3 GLU 13 13.831 8.237 -20.169 92 H VAL 14 H VAL 14 18.661 6.572 -21.418 93 HA VAL 14 HA VAL 14 17.747 4.904 -23.500 94 HB VAL 14 HB VAL 14 17.759 7.017 -24.842 95 HG11 VAL 14 HG11 VAL 14 19.569 8.244 -23.733 96 HG12 VAL 14 HG12 VAL 14 19.868 8.147 -25.469 97 HG13 VAL 14 HG13 VAL 14 20.762 7.101 -24.361 98 HG21 VAL 14 HG21 VAL 14 19.834 4.997 -25.783 99 HG22 VAL 14 HG22 VAL 14 19.005 6.169 -26.810 100 HG23 VAL 14 HG23 VAL 14 18.086 4.888 -26.020 101 H CYS 15 H CYS 15 19.264 3.256 -23.969 102 HA CYS 15 HA CYS 15 21.792 3.204 -22.522 103 HB2 CYS 15 HB2 CYS 15 20.522 1.126 -22.700 104 HB3 CYS 15 HB3 CYS 15 20.550 1.213 -24.458 105 HG CYS 15 HG CYS 15 23.346 0.878 -24.621 106 H CYS 16 H CYS 16 20.988 2.707 -25.998 107 HA CYS 16 HA CYS 16 23.110 4.534 -26.854 108 HB2 CYS 16 HB2 CYS 16 23.046 1.661 -27.875 109 HB3 CYS 16 HB3 CYS 16 24.168 2.921 -28.378 110 HG CYS 16 HG CYS 16 25.041 0.718 -26.506 111 H CYS 17 H CYS 17 22.848 5.277 -29.009 112 HA CYS 17 HA CYS 17 20.162 5.126 -30.140 113 HB2 CYS 17 HB2 CYS 17 21.028 6.848 -31.727 114 HB3 CYS 17 HB3 CYS 17 21.313 7.291 -30.046 115 HG CYS 17 HG CYS 17 23.481 8.007 -31.795 116 H ALA 18 H ALA 18 22.763 3.109 -30.398 117 HA ALA 18 HA ALA 18 22.882 2.680 -33.259 118 HB1 ALA 18 HB1 ALA 18 24.161 1.120 -30.983 119 HB2 ALA 18 HB2 ALA 18 24.904 2.448 -31.876 120 HB3 ALA 18 HB3 ALA 18 24.531 0.934 -32.701 121 HA PRO 19 HA PRO 19 19.587 -0.424 -33.612 122 HB2 PRO 19 HB2 PRO 19 20.664 -1.906 -35.742 123 HB3 PRO 19 HB3 PRO 19 19.714 -0.427 -35.902 124 HG2 PRO 19 HG2 PRO 19 22.700 -0.772 -35.906 125 HG3 PRO 19 HG3 PRO 19 21.698 0.258 -36.949 126 HD2 PRO 19 HD2 PRO 19 23.064 1.314 -34.893 127 HD3 PRO 19 HD3 PRO 19 21.429 1.900 -35.275 128 H MET 20 H MET 20 22.889 -1.357 -32.900 129 HA MET 20 HA MET 20 22.449 -4.149 -32.472 130 HB2 MET 20 HB2 MET 20 24.719 -3.233 -32.755 131 HB3 MET 20 HB3 MET 20 24.569 -2.328 -31.255 132 HG2 MET 20 HG2 MET 20 24.534 -4.364 -29.952 133 HG3 MET 20 HG3 MET 20 24.445 -5.355 -31.406 134 HE1 MET 20 HE1 MET 20 26.581 -4.038 -33.363 135 HE2 MET 20 HE2 MET 20 26.469 -5.773 -33.059 136 HE3 MET 20 HE3 MET 20 28.025 -4.952 -32.931 137 H THR 21 H THR 21 22.372 -1.355 -30.224 138 HA THR 21 HA THR 21 21.303 -2.810 -27.984 139 HB THR 21 HB THR 21 21.331 0.177 -28.610 140 HG1 THR 21 HG1 THR 21 22.819 -1.412 -26.752 141 HG21 THR 21 HG21 THR 21 20.687 0.589 -26.262 142 HG22 THR 21 HG22 THR 21 20.472 -1.144 -26.002 143 HG23 THR 21 HG23 THR 21 19.406 -0.279 -27.111 144 H GLY 22 H GLY 22 19.830 -0.689 -30.458 145 HA2 GLY 22 HA2 GLY 22 17.709 -0.882 -31.435 146 HA3 GLY 22 HA3 GLY 22 17.242 -2.050 -30.209 147 H TRP 23 H TRP 23 15.776 0.276 -31.153 148 HA TRP 23 HA TRP 23 15.795 2.218 -28.950 149 HB2 TRP 23 HB2 TRP 23 14.113 2.192 -31.506 150 HB3 TRP 23 HB3 TRP 23 14.286 3.540 -30.382 151 HD1 TRP 23 HD1 TRP 23 16.562 4.989 -30.546 152 HE1 TRP 23 HE1 TRP 23 18.395 5.140 -32.342 153 HE3 TRP 23 HE3 TRP 23 15.422 0.795 -33.247 154 HZ2 TRP 23 HZ2 TRP 23 19.264 3.680 -34.588 155 HZ3 TRP 23 HZ3 TRP 23 16.804 0.239 -35.209 156 HH2 TRP 23 HH2 TRP 23 18.688 1.658 -35.865 157 H TYR 24 H TYR 24 14.811 1.373 -27.192 158 HA TYR 24 HA TYR 24 12.513 -0.406 -27.355 159 HB2 TYR 24 HB2 TYR 24 13.912 0.794 -24.930 160 HB3 TYR 24 HB3 TYR 24 12.667 -0.441 -24.873 161 HD1 TYR 24 HD2 TYR 24 16.196 0.242 -25.712 162 HD2 TYR 24 HD1 TYR 24 13.179 -2.781 -25.396 163 HE1 TYR 24 HE2 TYR 24 17.929 -1.494 -25.783 164 HE2 TYR 24 HE1 TYR 24 14.923 -4.515 -25.463 165 HH TYR 24 HH TYR 24 17.215 -4.819 -26.167 166 H ARG 25 H ARG 25 11.333 1.426 -28.527 167 HA ARG 25 HA ARG 25 9.692 2.938 -28.731 168 HB2 ARG 25 HB2 ARG 25 8.618 1.208 -27.168 169 HB3 ARG 25 HB3 ARG 25 8.904 2.338 -25.858 170 HG2 ARG 25 HG2 ARG 25 7.278 3.080 -28.308 171 HG3 ARG 25 HG3 ARG 25 6.557 2.292 -26.909 172 HD2 ARG 25 HD2 ARG 25 7.209 4.194 -25.490 173 HD3 ARG 25 HD3 ARG 25 7.983 4.973 -26.870 174 HE ARG 25 HE ARG 25 5.288 4.483 -27.516 175 HH11 ARG 25 HH11 ARG 25 7.125 6.514 -25.381 176 HH12 ARG 25 HH12 ARG 25 5.933 7.754 -25.364 177 HH21 ARG 25 HH21 ARG 25 3.778 6.098 -27.479 178 HH22 ARG 25 HH22 ARG 25 4.057 7.522 -26.539 179 H ASN 26 H ASN 26 10.375 3.610 -25.266 180 HA ASN 26 HA ASN 26 10.460 6.464 -25.642 181 HB2 ASN 26 HB2 ASN 26 11.247 4.739 -23.244 182 HB3 ASN 26 HB3 ASN 26 11.098 6.491 -23.208 183 HD21 ASN 26 HD21 ASN 26 9.687 4.480 -21.638 184 HD22 ASN 26 HD22 ASN 26 8.005 4.738 -21.935 185 H GLY 27 H GLY 27 12.925 4.177 -24.407 186 HA2 GLY 27 HA2 GLY 27 15.049 5.174 -26.092 187 HA3 GLY 27 HA3 GLY 27 15.191 5.709 -24.419 188 H PHE 28 H PHE 28 14.643 3.730 -22.831 189 HA PHE 28 HA PHE 28 15.741 1.194 -23.854 190 HB2 PHE 28 HB2 PHE 28 17.378 0.869 -22.197 191 HB3 PHE 28 HB3 PHE 28 17.589 2.548 -22.657 192 HD1 PHE 28 HD1 PHE 28 16.926 4.376 -21.063 193 HD2 PHE 28 HD2 PHE 28 16.674 0.253 -19.938 194 HE1 PHE 28 HE1 PHE 28 16.753 5.012 -18.697 195 HE2 PHE 28 HE2 PHE 28 16.490 0.909 -17.579 196 HZ PHE 28 HZ PHE 28 16.528 3.290 -16.956 197 H CYS 29 H CYS 29 13.806 2.863 -21.388 198 HA CYS 29 HA CYS 29 12.725 0.284 -20.427 199 HB2 CYS 29 HB2 CYS 29 11.639 1.606 -18.637 200 HB3 CYS 29 HB3 CYS 29 13.375 1.894 -18.688 201 HG CYS 29 HG CYS 29 12.257 4.201 -20.559 202 H GLN 30 H GLN 30 11.006 -0.520 -21.458 203 HA GLN 30 HA GLN 30 9.188 1.116 -23.050 204 HB2 GLN 30 HB2 GLN 30 9.346 -1.883 -22.549 205 HB3 GLN 30 HB3 GLN 30 8.124 -1.134 -23.580 206 HG2 GLN 30 HG2 GLN 30 9.855 -0.294 -25.081 207 HG3 GLN 30 HG3 GLN 30 11.117 -0.932 -24.029 208 HE21 GLN 30 HE21 GLN 30 8.591 -1.769 -26.299 209 HE22 GLN 30 HE22 GLN 30 9.161 -3.366 -26.627 210 H THR 31 H THR 31 8.799 -1.172 -20.272 211 HA THR 31 HA THR 31 6.171 -0.122 -19.607 212 HB THR 31 HB THR 31 6.692 -1.558 -17.376 213 HG1 THR 31 HG1 THR 31 8.360 -2.804 -17.500 214 HG21 THR 31 HG21 THR 31 5.684 -3.511 -18.454 215 HG22 THR 31 HG22 THR 31 6.017 -2.818 -20.043 216 HG23 THR 31 HG23 THR 31 4.887 -2.011 -18.949 217 H ASP 32 H ASP 32 6.932 2.050 -19.556 218 HA ASP 32 HA ASP 32 7.022 2.979 -16.899 219 HB2 ASP 32 HB2 ASP 32 9.457 2.465 -17.158 220 HB3 ASP 32 HB3 ASP 32 9.535 3.506 -18.576 221 H VAL 33 H VAL 33 6.958 5.386 -16.818 222 HA VAL 33 HA VAL 33 5.655 6.630 -19.141 223 HB VAL 33 HB VAL 33 5.137 8.483 -17.525 224 HG11 VAL 33 HG11 VAL 33 3.521 7.212 -16.128 225 HG12 VAL 33 HG12 VAL 33 4.357 5.706 -16.518 226 HG13 VAL 33 HG13 VAL 33 3.536 6.616 -17.790 227 HG21 VAL 33 HG21 VAL 33 5.620 8.196 -15.103 228 HG22 VAL 33 HG22 VAL 33 7.107 8.302 -16.047 229 HG23 VAL 33 HG23 VAL 33 6.547 6.734 -15.458 230 H GLN 34 H GLN 34 8.557 6.048 -19.170 231 HA GLN 34 HA GLN 34 10.634 6.771 -19.501 232 HB2 GLN 34 HB2 GLN 34 10.984 8.380 -21.213 233 HB3 GLN 34 HB3 GLN 34 9.452 7.601 -21.567 234 HG2 GLN 34 HG2 GLN 34 8.262 9.590 -20.667 235 HG3 GLN 34 HG3 GLN 34 9.811 10.376 -20.380 236 HE21 GLN 34 HE21 GLN 34 11.045 11.046 -22.196 237 HE22 GLN 34 HE22 GLN 34 10.328 11.256 -23.751 238 H ASP 35 H ASP 35 9.431 7.606 -16.988 239 HA ASP 35 HA ASP 35 11.202 9.869 -16.235 240 HB2 ASP 35 HB2 ASP 35 8.713 10.327 -16.017 241 HB3 ASP 35 HB3 ASP 35 8.616 9.017 -14.852 242 H ARG 36 H ARG 36 12.900 9.165 -15.160 243 HA ARG 36 HA ARG 36 14.416 7.989 -14.054 244 HB2 ARG 36 HB2 ARG 36 13.968 7.468 -11.684 245 HB3 ARG 36 HB3 ARG 36 13.400 9.062 -12.148 246 HG2 ARG 36 HG2 ARG 36 11.092 8.258 -12.183 247 HG3 ARG 36 HG3 ARG 36 11.631 6.624 -11.786 248 HD2 ARG 36 HD2 ARG 36 10.715 7.982 -9.837 249 HD3 ARG 36 HD3 ARG 36 12.323 7.302 -9.586 250 HE ARG 36 HE ARG 36 13.251 9.431 -9.674 251 HH11 ARG 36 HH11 ARG 36 9.837 9.698 -10.290 252 HH12 ARG 36 HH12 ARG 36 9.829 11.402 -10.011 253 HH21 ARG 36 HH21 ARG 36 13.203 11.598 -9.349 254 HH22 ARG 36 HH22 ARG 36 11.715 12.466 -9.469 255 H GLY 37 H GLY 37 12.305 6.165 -15.648 256 HA2 GLY 37 HA2 GLY 37 12.813 4.145 -16.612 257 HA3 GLY 37 HA3 GLY 37 14.133 3.947 -15.485 258 H SER 38 H SER 38 11.396 2.523 -16.495 259 HA SER 38 HA SER 38 10.178 0.729 -15.858 260 HB2 SER 38 HB2 SER 38 11.413 -1.014 -14.606 261 HB3 SER 38 HB3 SER 38 12.431 -0.247 -15.816 262 HG SER 38 HG SER 38 12.490 0.774 -13.200 263 H HIS 39 H HIS 39 9.417 3.056 -14.380 264 HA HIS 39 HA HIS 39 9.031 2.388 -11.587 265 HB2 HIS 39 HB2 HIS 39 9.428 4.725 -12.362 266 HB3 HIS 39 HB3 HIS 39 7.910 4.690 -13.252 267 HD1 HIS 39 HD1 HIS 39 5.703 4.748 -11.811 268 HD2 HIS 39 HD2 HIS 39 9.214 5.283 -9.658 269 HE1 HIS 39 HE1 HIS 39 4.996 5.663 -9.586 270 HE2 HIS 39 HE2 HIS 39 7.150 6.162 -8.386 271 H THR 40 H THR 40 7.766 0.454 -11.614 272 HA THR 40 HA THR 40 4.887 0.890 -12.120 273 HB THR 40 HB THR 40 4.691 -0.693 -13.704 274 HG1 THR 40 HG1 THR 40 6.011 -2.566 -12.032 275 HG21 THR 40 HG21 THR 40 7.641 -1.340 -13.413 276 HG22 THR 40 HG22 THR 40 6.963 -0.105 -14.476 277 HG23 THR 40 HG23 THR 40 6.611 -1.810 -14.773 278 H VAL 41 H VAL 41 4.016 0.906 -10.140 279 HA VAL 41 HA VAL 41 4.312 -1.521 -8.453 280 HB VAL 41 HB VAL 41 3.663 1.262 -7.354 281 HG11 VAL 41 HG11 VAL 41 4.260 -1.351 -5.895 282 HG12 VAL 41 HG12 VAL 41 2.675 -0.590 -6.050 283 HG13 VAL 41 HG13 VAL 41 3.947 0.207 -5.125 284 HG21 VAL 41 HG21 VAL 41 6.322 -0.206 -7.160 285 HG22 VAL 41 HG22 VAL 41 5.908 1.270 -6.281 286 HG23 VAL 41 HG23 VAL 41 6.013 1.290 -8.050 287 H CYS 42 H CYS 42 2.403 -2.638 -8.563 288 HA CYS 42 HA CYS 42 -0.161 -1.123 -8.648 289 HB2 CYS 42 HB2 CYS 42 0.402 -3.942 -9.668 290 HB3 CYS 42 HB3 CYS 42 -1.175 -3.148 -9.680 291 HG CYS 42 HG CYS 42 1.563 -2.429 -11.572 292 H ALA 43 H ALA 43 -0.966 -1.020 -6.668 293 HA ALA 43 HA ALA 43 -1.062 -3.393 -4.904 294 HB1 ALA 43 HB1 ALA 43 0.755 -1.908 -4.085 295 HB2 ALA 43 HB2 ALA 43 -0.594 -1.944 -2.949 296 HB3 ALA 43 HB3 ALA 43 -0.377 -0.554 -4.016 297 H GLU 44 H GLU 44 -2.951 -3.378 -3.507 298 HA GLU 44 HA GLU 44 -5.096 -1.588 -4.498 299 HB2 GLU 44 HB2 GLU 44 -5.129 -4.120 -5.132 300 HB3 GLU 44 HB3 GLU 44 -5.640 -4.386 -3.468 301 HG2 GLU 44 HG2 GLU 44 -7.573 -2.951 -3.816 302 HG3 GLU 44 HG3 GLU 44 -7.012 -2.582 -5.453 303 H MET 45 H MET 45 -5.480 -0.154 -2.989 304 HA MET 45 HA MET 45 -5.252 -0.735 -0.141 305 HB2 MET 45 HB2 MET 45 -6.293 1.885 -1.346 306 HB3 MET 45 HB3 MET 45 -5.558 1.608 0.238 307 HG2 MET 45 HG2 MET 45 -4.134 1.512 -2.433 308 HG3 MET 45 HG3 MET 45 -3.936 2.727 -1.176 309 HE1 MET 45 HE1 MET 45 -2.113 0.624 1.636 310 HE2 MET 45 HE2 MET 45 -3.855 0.835 1.485 311 HE3 MET 45 HE3 MET 45 -2.773 2.203 1.211 312 H THR 46 H THR 46 -6.931 -1.303 1.150 313 HA THR 46 HA THR 46 -9.648 -1.505 0.117 314 HB THR 46 HB THR 46 -8.912 -3.288 1.610 315 HG1 THR 46 HG1 THR 46 -10.561 -2.938 3.378 316 HG21 THR 46 HG21 THR 46 -8.537 -1.179 3.754 317 HG22 THR 46 HG22 THR 46 -7.244 -2.062 2.937 318 HG23 THR 46 HG23 THR 46 -8.378 -2.922 3.978 319 H GLU 47 H GLU 47 -11.483 -0.491 1.131 320 HA GLU 47 HA GLU 47 -11.429 2.257 1.138 321 HB2 GLU 47 HB2 GLU 47 -13.457 0.850 0.854 322 HB3 GLU 47 HB3 GLU 47 -13.449 0.507 2.581 323 HG2 GLU 47 HG2 GLU 47 -13.783 2.941 3.038 324 HG3 GLU 47 HG3 GLU 47 -13.861 3.221 1.294 325 H GLU 48 H GLU 48 -10.927 0.148 3.879 326 HA GLU 48 HA GLU 48 -11.180 1.731 6.134 327 HB2 GLU 48 HB2 GLU 48 -8.947 -0.259 5.549 328 HB3 GLU 48 HB3 GLU 48 -9.485 0.251 7.149 329 HG2 GLU 48 HG2 GLU 48 -11.636 -0.829 6.823 330 HG3 GLU 48 HG3 GLU 48 -11.238 -1.209 5.153 331 H PHE 49 H PHE 49 -8.247 1.486 4.060 332 HA PHE 49 HA PHE 49 -6.734 3.495 5.415 333 HB2 PHE 49 HB2 PHE 49 -5.536 1.854 4.094 334 HB3 PHE 49 HB3 PHE 49 -6.419 2.292 2.635 335 HD1 PHE 49 HD2 PHE 49 -4.172 3.889 5.221 336 HD2 PHE 49 HD1 PHE 49 -5.334 3.741 1.100 337 HE1 PHE 49 HE2 PHE 49 -2.452 5.551 4.666 338 HE2 PHE 49 HE1 PHE 49 -3.611 5.412 0.560 339 HZ PHE 49 HZ PHE 49 -2.169 6.317 2.341 340 H LEU 50 H LEU 50 -8.890 3.623 2.570 341 HA LEU 50 HA LEU 50 -8.141 6.293 1.789 342 HB2 LEU 50 HB2 LEU 50 -10.531 4.592 0.964 343 HB3 LEU 50 HB3 LEU 50 -10.168 6.165 0.295 344 HG LEU 50 HG LEU 50 -7.902 5.199 -0.436 345 HD11 LEU 50 HD11 LEU 50 -7.899 3.162 0.893 346 HD12 LEU 50 HD12 LEU 50 -7.804 2.799 -0.828 347 HD13 LEU 50 HD13 LEU 50 -9.328 2.575 0.034 348 HD21 LEU 50 HD21 LEU 50 -8.839 4.319 -2.513 349 HD22 LEU 50 HD22 LEU 50 -9.702 5.765 -1.995 350 HD23 LEU 50 HD23 LEU 50 -10.429 4.173 -1.757 351 H LEU 51 H LEU 51 -10.633 4.993 3.901 352 HA LEU 51 HA LEU 51 -11.952 7.503 4.425 353 HB2 LEU 51 HB2 LEU 51 -12.019 4.826 5.864 354 HB3 LEU 51 HB3 LEU 51 -12.947 6.215 6.392 355 HG LEU 51 HG LEU 51 -13.293 4.733 3.761 356 HD11 LEU 51 HD11 LEU 51 -15.489 4.098 4.650 357 HD12 LEU 51 HD12 LEU 51 -15.128 4.919 6.172 358 HD13 LEU 51 HD13 LEU 51 -14.185 3.511 5.680 359 HD21 LEU 51 HD21 LEU 51 -15.218 6.228 3.346 360 HD22 LEU 51 HD22 LEU 51 -13.699 7.117 3.400 361 HD23 LEU 51 HD23 LEU 51 -14.798 7.171 4.781 362 H PHE 52 H PHE 52 -9.294 5.658 5.887 363 HA PHE 52 HA PHE 52 -8.801 7.395 8.100 364 HB2 PHE 52 HB2 PHE 52 -7.884 5.130 8.062 365 HB3 PHE 52 HB3 PHE 52 -6.982 5.468 6.591 366 HD1 PHE 52 HD1 PHE 52 -7.263 6.550 10.183 367 HD2 PHE 52 HD2 PHE 52 -4.719 6.174 6.754 368 HE1 PHE 52 HE1 PHE 52 -5.327 7.244 11.530 369 HE2 PHE 52 HE2 PHE 52 -2.793 6.866 8.115 370 HZ PHE 52 HZ PHE 52 -3.095 7.404 10.499 371 H SER 53 H SER 53 -7.867 7.505 4.694 372 HA SER 53 HA SER 53 -5.805 9.447 4.811 373 HB2 SER 53 HB2 SER 53 -7.711 8.780 2.523 374 HB3 SER 53 HB3 SER 53 -6.280 9.797 2.363 375 HG SER 53 HG SER 53 -5.980 7.225 3.446 376 H ARG 54 H ARG 54 -9.308 9.785 4.115 377 HA ARG 54 HA ARG 54 -9.283 12.659 4.071 378 HB2 ARG 54 HB2 ARG 54 -11.761 12.484 4.035 379 HB3 ARG 54 HB3 ARG 54 -10.993 11.447 2.837 380 HG2 ARG 54 HG2 ARG 54 -11.394 9.473 4.204 381 HG3 ARG 54 HG3 ARG 54 -12.026 10.466 5.520 382 HD2 ARG 54 HD2 ARG 54 -13.265 10.171 2.764 383 HD3 ARG 54 HD3 ARG 54 -13.834 9.388 4.241 384 HE ARG 54 HE ARG 54 -13.838 12.059 4.834 385 HH11 ARG 54 HH11 ARG 54 -15.396 10.149 2.402 386 HH12 ARG 54 HH12 ARG 54 -16.729 11.237 2.262 387 HH21 ARG 54 HH21 ARG 54 -15.547 13.406 4.659 388 HH22 ARG 54 HH22 ARG 54 -16.805 13.067 3.526 389 H ASP 55 H ASP 55 -9.507 10.326 6.636 390 HA ASP 55 HA ASP 55 -10.748 12.002 8.620 391 HB2 ASP 55 HB2 ASP 55 -10.940 9.542 8.686 392 HB3 ASP 55 HB3 ASP 55 -9.194 9.386 8.868 393 H ARG 56 H ARG 56 -7.434 11.480 7.545 394 HA ARG 56 HA ARG 56 -6.425 13.241 9.713 395 HB2 ARG 56 HB2 ARG 56 -5.893 10.815 10.151 396 HB3 ARG 56 HB3 ARG 56 -4.962 10.782 8.661 397 HG2 ARG 56 HG2 ARG 56 -3.484 11.021 10.603 398 HG3 ARG 56 HG3 ARG 56 -3.391 12.460 9.584 399 HD2 ARG 56 HD2 ARG 56 -4.913 13.645 11.123 400 HD3 ARG 56 HD3 ARG 56 -5.023 12.207 12.138 401 HE ARG 56 HE ARG 56 -2.441 12.577 12.284 402 HH11 ARG 56 HH11 ARG 56 -4.809 15.104 12.278 403 HH12 ARG 56 HH12 ARG 56 -3.862 16.132 13.291 404 HH21 ARG 56 HH21 ARG 56 -1.258 13.919 13.579 405 HH22 ARG 56 HH22 ARG 56 -1.884 15.469 14.021 406 H GLY 57 H GLY 57 -5.354 11.777 6.579 407 HA2 GLY 57 HA2 GLY 57 -3.353 13.813 6.122 408 HA3 GLY 57 HA3 GLY 57 -3.797 12.514 5.032 409 H ASN 58 H ASN 58 -5.486 12.844 3.501 410 HA ASN 58 HA ASN 58 -6.584 15.559 3.150 411 HB2 ASN 58 HB2 ASN 58 -4.409 15.321 1.839 412 HB3 ASN 58 HB3 ASN 58 -5.185 14.078 0.873 413 HD21 ASN 58 HD21 ASN 58 -4.073 16.690 0.091 414 HD22 ASN 58 HD22 ASN 58 -5.353 17.534 -0.696 415 H ASP 59 H ASP 59 -8.578 15.600 2.160 416 HA ASP 59 HA ASP 59 -10.167 13.241 2.120 417 HB2 ASP 59 HB2 ASP 59 -11.951 14.848 1.139 418 HB3 ASP 59 HB3 ASP 59 -11.347 15.156 2.763 419 H LEU 60 H LEU 60 -9.262 11.819 0.755 420 HA LEU 60 HA LEU 60 -8.458 12.178 -1.926 421 HB2 LEU 60 HB2 LEU 60 -7.698 10.393 -0.329 422 HB3 LEU 60 HB3 LEU 60 -9.266 9.626 -0.475 423 HG LEU 60 HG LEU 60 -8.783 9.218 -2.922 424 HD11 LEU 60 HD11 LEU 60 -6.471 9.419 -3.742 425 HD12 LEU 60 HD12 LEU 60 -6.002 10.223 -2.242 426 HD13 LEU 60 HD13 LEU 60 -7.156 10.991 -3.334 427 HD21 LEU 60 HD21 LEU 60 -8.417 7.443 -1.275 428 HD22 LEU 60 HD22 LEU 60 -6.776 8.026 -0.983 429 HD23 LEU 60 HD23 LEU 60 -7.210 7.360 -2.560 430 H MET 61 H MET 61 -11.624 12.047 -0.714 431 HA MET 61 HA MET 61 -12.794 11.126 -3.279 432 HB2 MET 61 HB2 MET 61 -14.620 10.049 -1.931 433 HB3 MET 61 HB3 MET 61 -13.040 9.324 -1.679 434 HG2 MET 61 HG2 MET 61 -12.838 10.680 0.437 435 HG3 MET 61 HG3 MET 61 -14.510 11.188 0.198 436 HE1 MET 61 HE1 MET 61 -13.243 6.799 0.972 437 HE2 MET 61 HE2 MET 61 -12.105 8.146 0.961 438 HE3 MET 61 HE3 MET 61 -12.884 7.639 -0.539 439 H THR 62 H THR 62 -12.271 13.859 -2.551 440 HA THR 62 HA THR 62 -14.896 15.089 -2.108 441 HB THR 62 HB THR 62 -12.843 16.233 -1.256 442 HG1 THR 62 HG1 THR 62 -13.800 18.003 -3.207 443 HG21 THR 62 HG21 THR 62 -11.330 17.431 -2.773 444 HG22 THR 62 HG22 THR 62 -12.167 16.751 -4.172 445 HG23 THR 62 HG23 THR 62 -11.263 15.695 -3.084 446 HA PRO 63 HA PRO 63 -15.981 15.593 -6.581 447 HB2 PRO 63 HB2 PRO 63 -17.048 18.265 -5.682 448 HB3 PRO 63 HB3 PRO 63 -17.848 16.983 -6.605 449 HG2 PRO 63 HG2 PRO 63 -18.472 17.359 -4.043 450 HG3 PRO 63 HG3 PRO 63 -18.317 15.709 -4.687 451 HD2 PRO 63 HD2 PRO 63 -16.337 17.292 -3.034 452 HD3 PRO 63 HD3 PRO 63 -16.823 15.588 -2.874 453 H ARG 64 H ARG 64 -16.023 17.973 -7.997 454 HA ARG 64 HA ARG 64 -14.778 19.412 -9.229 455 HB2 ARG 64 HB2 ARG 64 -12.928 19.532 -6.803 456 HB3 ARG 64 HB3 ARG 64 -12.811 20.596 -8.202 457 HG2 ARG 64 HG2 ARG 64 -15.034 21.542 -7.692 458 HG3 ARG 64 HG3 ARG 64 -15.197 20.439 -6.322 459 HD2 ARG 64 HD2 ARG 64 -13.292 21.501 -5.201 460 HD3 ARG 64 HD3 ARG 64 -13.031 22.554 -6.594 461 HE ARG 64 HE ARG 64 -15.666 22.897 -5.607 462 HH11 ARG 64 HH11 ARG 64 -12.386 23.715 -4.812 463 HH12 ARG 64 HH12 ARG 64 -12.846 25.108 -3.898 464 HH21 ARG 64 HH21 ARG 64 -16.219 24.695 -4.434 465 HH22 ARG 64 HH22 ARG 64 -14.987 25.653 -3.688 466 HA PRO 65 HA PRO 65 -11.632 16.961 -11.432 467 HB2 PRO 65 HB2 PRO 65 -9.880 19.319 -11.878 468 HB3 PRO 65 HB3 PRO 65 -10.727 18.316 -13.056 469 HG2 PRO 65 HG2 PRO 65 -11.440 20.899 -12.356 470 HG3 PRO 65 HG3 PRO 65 -12.528 19.726 -13.127 471 HD2 PRO 65 HD2 PRO 65 -12.497 20.723 -10.340 472 HD3 PRO 65 HD3 PRO 65 -13.809 19.938 -11.237 473 H GLU 66 H GLU 66 -9.991 19.582 -9.676 474 HA GLU 66 HA GLU 66 -8.647 19.737 -7.934 475 HB2 GLU 66 HB2 GLU 66 -10.270 18.175 -6.846 476 HB3 GLU 66 HB3 GLU 66 -9.271 16.816 -7.337 477 HG2 GLU 66 HG2 GLU 66 -8.909 17.334 -4.988 478 HG3 GLU 66 HG3 GLU 66 -7.437 17.633 -5.912 479 H PHE 67 H PHE 67 -6.488 19.448 -7.255 480 HA PHE 67 HA PHE 67 -4.750 17.764 -8.971 481 HB2 PHE 67 HB2 PHE 67 -3.071 19.593 -8.897 482 HB3 PHE 67 HB3 PHE 67 -4.572 20.120 -9.641 483 HD1 PHE 67 HD1 PHE 67 -6.070 21.723 -8.462 484 HD2 PHE 67 HD2 PHE 67 -2.302 20.584 -6.776 485 HE1 PHE 67 HE1 PHE 67 -6.172 23.627 -6.920 486 HE2 PHE 67 HE2 PHE 67 -2.417 22.495 -5.234 487 HZ PHE 67 HZ PHE 67 -4.355 24.015 -5.302 488 H ASN 68 H ASN 68 -5.600 18.660 -5.734 489 HA ASN 68 HA ASN 68 -3.231 18.520 -4.277 490 HB2 ASN 68 HB2 ASN 68 -6.050 17.736 -3.450 491 HB3 ASN 68 HB3 ASN 68 -4.710 17.839 -2.310 492 HD21 ASN 68 HD21 ASN 68 -7.180 19.347 -2.361 493 HD22 ASN 68 HD22 ASN 68 -6.725 21.009 -2.446 494 H PHE 69 H PHE 69 -5.158 15.832 -5.466 495 HA PHE 69 HA PHE 69 -3.168 13.884 -4.495 496 HB2 PHE 69 HB2 PHE 69 -5.068 12.347 -3.807 497 HB3 PHE 69 HB3 PHE 69 -4.896 13.780 -2.806 498 HD1 PHE 69 HD2 PHE 69 -6.984 12.244 -5.503 499 HD2 PHE 69 HD1 PHE 69 -6.703 15.380 -2.602 500 HE1 PHE 69 HE2 PHE 69 -9.347 12.797 -5.869 501 HE2 PHE 69 HE1 PHE 69 -9.068 15.915 -2.979 502 HZ PHE 69 HZ PHE 69 -10.389 14.631 -4.610 503 HA PRO 70 HA PRO 70 -4.171 11.887 -8.518 504 HB2 PRO 70 HB2 PRO 70 -3.014 9.472 -8.193 505 HB3 PRO 70 HB3 PRO 70 -2.024 10.934 -8.331 506 HG2 PRO 70 HG2 PRO 70 -2.845 9.439 -5.832 507 HG3 PRO 70 HG3 PRO 70 -1.240 10.060 -6.278 508 HD2 PRO 70 HD2 PRO 70 -2.967 11.408 -4.598 509 HD3 PRO 70 HD3 PRO 70 -1.751 12.225 -5.600 510 H GLY 71 H GLY 71 -5.280 9.755 -9.241 511 HA2 GLY 71 HA2 GLY 71 -7.714 9.365 -7.744 512 HA3 GLY 71 HA3 GLY 71 -7.267 8.575 -9.248 513 H LEU 72 H LEU 72 -7.126 6.441 -9.076 514 HA LEU 72 HA LEU 72 -7.036 4.340 -8.330 515 HB2 LEU 72 HB2 LEU 72 -4.772 5.318 -6.549 516 HB3 LEU 72 HB3 LEU 72 -5.107 3.647 -6.954 517 HG LEU 72 HG LEU 72 -3.347 4.104 -8.392 518 HD11 LEU 72 HD11 LEU 72 -5.216 3.238 -9.708 519 HD12 LEU 72 HD12 LEU 72 -4.144 4.250 -10.670 520 HD13 LEU 72 HD13 LEU 72 -5.698 4.886 -10.124 521 HD21 LEU 72 HD21 LEU 72 -2.913 6.186 -9.585 522 HD22 LEU 72 HD22 LEU 72 -3.084 6.484 -7.856 523 HD23 LEU 72 HD23 LEU 72 -4.405 6.892 -8.955 524 H LYS 73 H LYS 73 -8.982 4.001 -7.396 525 HA LYS 73 HA LYS 73 -9.392 4.706 -4.558 526 HB2 LYS 73 HB2 LYS 73 -11.895 4.167 -5.184 527 HB3 LYS 73 HB3 LYS 73 -11.176 5.700 -5.635 528 HG2 LYS 73 HG2 LYS 73 -12.510 4.927 -7.474 529 HG3 LYS 73 HG3 LYS 73 -10.814 4.834 -7.945 530 HD2 LYS 73 HD2 LYS 73 -12.008 2.877 -8.758 531 HD3 LYS 73 HD3 LYS 73 -10.848 2.382 -7.524 532 HE2 LYS 73 HE2 LYS 73 -12.706 2.282 -5.865 533 HE3 LYS 73 HE3 LYS 73 -13.844 2.730 -7.139 534 HZ1 LYS 73 HZ1 LYS 73 -13.763 0.339 -6.720 535 HZ2 LYS 73 HZ2 LYS 73 -12.136 0.306 -7.183 536 HZ3 LYS 73 HZ3 LYS 73 -13.326 0.726 -8.304 537 H ALA 74 H ALA 74 -11.089 3.107 -3.500 538 HA ALA 74 HA ALA 74 -9.548 0.861 -2.821 539 HB1 ALA 74 HB1 ALA 74 -12.462 1.389 -2.166 540 HB2 ALA 74 HB2 ALA 74 -11.073 1.985 -1.252 541 HB3 ALA 74 HB3 ALA 74 -11.394 0.252 -1.334 542 H GLY 75 H GLY 75 -9.271 -0.985 -3.871 543 HA2 GLY 75 HA2 GLY 75 -10.046 -3.071 -4.718 544 HA3 GLY 75 HA3 GLY 75 -11.506 -2.309 -5.292 545 H ASP 76 H ASP 76 -8.667 -0.517 -6.076 546 HA ASP 76 HA ASP 76 -8.365 -1.891 -8.696 547 HB2 ASP 76 HB2 ASP 76 -8.417 1.068 -8.026 548 HB3 ASP 76 HB3 ASP 76 -7.576 0.499 -9.464 549 H ARG 77 H ARG 77 -6.537 -3.154 -8.314 550 HA ARG 77 HA ARG 77 -4.065 -1.876 -7.408 551 HB2 ARG 77 HB2 ARG 77 -3.076 -4.251 -8.188 552 HB3 ARG 77 HB3 ARG 77 -3.850 -4.006 -6.640 553 HG2 ARG 77 HG2 ARG 77 -4.513 -6.124 -7.634 554 HG3 ARG 77 HG3 ARG 77 -5.897 -5.058 -7.445 555 HD2 ARG 77 HD2 ARG 77 -6.015 -4.648 -9.805 556 HD3 ARG 77 HD3 ARG 77 -4.436 -5.385 -10.074 557 HE ARG 77 HE ARG 77 -5.421 -7.426 -10.138 558 HH11 ARG 77 HH11 ARG 77 -7.724 -5.338 -8.587 559 HH12 ARG 77 HH12 ARG 77 -8.981 -6.509 -8.706 560 HH21 ARG 77 HH21 ARG 77 -7.027 -8.869 -10.225 561 HH22 ARG 77 HH22 ARG 77 -8.595 -8.477 -9.621 562 H TRP 78 H TRP 78 -3.572 -0.316 -8.884 563 HA TRP 78 HA TRP 78 -2.164 -1.070 -11.270 564 HB2 TRP 78 HB2 TRP 78 -4.462 -1.187 -12.195 565 HB3 TRP 78 HB3 TRP 78 -4.811 0.433 -11.604 566 HD1 TRP 78 HD1 TRP 78 -2.530 -1.318 -14.220 567 HE1 TRP 78 HE1 TRP 78 -2.079 0.342 -16.125 568 HE3 TRP 78 HE3 TRP 78 -4.869 2.809 -12.296 569 HZ2 TRP 78 HZ2 TRP 78 -2.632 3.037 -16.747 570 HZ3 TRP 78 HZ3 TRP 78 -4.864 4.896 -13.610 571 HH2 TRP 78 HH2 TRP 78 -3.764 5.005 -15.795 572 H CYS 79 H CYS 79 -0.469 0.294 -11.222 573 HA CYS 79 HA CYS 79 0.884 2.085 -10.912 574 HB2 CYS 79 HB2 CYS 79 -1.599 3.533 -11.883 575 HB3 CYS 79 HB3 CYS 79 -0.009 4.283 -11.772 576 HG CYS 79 HG CYS 79 -0.857 1.656 -13.799 577 H LEU 80 H LEU 80 -0.767 1.286 -8.524 578 HA LEU 80 HA LEU 80 -1.171 3.641 -6.928 579 HB2 LEU 80 HB2 LEU 80 -2.306 1.378 -6.511 580 HB3 LEU 80 HB3 LEU 80 -0.758 0.761 -5.968 581 HG LEU 80 HG LEU 80 -2.439 1.353 -4.149 582 HD11 LEU 80 HD11 LEU 80 -0.855 2.327 -2.567 583 HD12 LEU 80 HD12 LEU 80 0.225 2.774 -3.889 584 HD13 LEU 80 HD13 LEU 80 -0.085 1.072 -3.539 585 HD21 LEU 80 HD21 LEU 80 -2.745 3.687 -3.502 586 HD22 LEU 80 HD22 LEU 80 -3.344 3.392 -5.133 587 HD23 LEU 80 HD23 LEU 80 -1.801 4.217 -4.898 588 H CYS 81 H CYS 81 0.607 4.921 -6.679 589 HA CYS 81 HA CYS 81 3.293 4.198 -6.520 590 HB2 CYS 81 HB2 CYS 81 2.598 6.534 -6.809 591 HB3 CYS 81 HB3 CYS 81 1.919 6.566 -5.183 592 HG CYS 81 HG CYS 81 4.499 7.935 -5.603 593 H ALA 82 H ALA 82 4.392 3.043 -5.061 594 HA ALA 82 HA ALA 82 3.288 1.848 -2.798 595 HB1 ALA 82 HB1 ALA 82 5.180 0.890 -4.023 596 HB2 ALA 82 HB2 ALA 82 5.558 1.026 -2.305 597 HB3 ALA 82 HB3 ALA 82 6.227 2.187 -3.452 598 H SER 83 H SER 83 4.896 4.993 -3.001 599 HA SER 83 HA SER 83 5.436 5.583 -0.333 600 HB2 SER 83 HB2 SER 83 4.222 7.424 -2.433 601 HB3 SER 83 HB3 SER 83 4.937 7.973 -0.915 602 HG SER 83 HG SER 83 6.881 7.607 -1.674 603 H ARG 84 H ARG 84 2.271 5.610 -1.971 604 HA ARG 84 HA ARG 84 0.709 6.729 0.132 605 HB2 ARG 84 HB2 ARG 84 -0.183 4.915 -2.156 606 HB3 ARG 84 HB3 ARG 84 -1.255 5.894 -1.156 607 HG2 ARG 84 HG2 ARG 84 -0.222 7.952 -2.047 608 HG3 ARG 84 HG3 ARG 84 0.893 6.982 -3.014 609 HD2 ARG 84 HD2 ARG 84 -0.917 7.795 -4.424 610 HD3 ARG 84 HD3 ARG 84 -1.044 6.041 -4.264 611 HE ARG 84 HE ARG 84 -2.673 7.271 -2.308 612 HH11 ARG 84 HH11 ARG 84 -2.626 6.843 -5.753 613 HH12 ARG 84 HH12 ARG 84 -4.345 6.940 -5.885 614 HH21 ARG 84 HH21 ARG 84 -4.863 7.389 -2.532 615 HH22 ARG 84 HH22 ARG 84 -5.589 7.242 -4.098 616 H TRP 85 H TRP 85 1.379 3.366 -0.818 617 HA TRP 85 HA TRP 85 -0.265 2.149 1.199 618 HB2 TRP 85 HB2 TRP 85 -0.049 0.663 -0.537 619 HB3 TRP 85 HB3 TRP 85 1.567 1.203 -0.960 620 HD1 TRP 85 HD1 TRP 85 3.217 -0.647 -0.708 621 HE1 TRP 85 HE1 TRP 85 3.659 -2.546 0.961 622 HE3 TRP 85 HE3 TRP 85 -0.864 -0.117 2.311 623 HZ2 TRP 85 HZ2 TRP 85 2.440 -3.725 3.186 624 HZ3 TRP 85 HZ3 TRP 85 -1.165 -1.679 4.171 625 HH2 TRP 85 HH2 TRP 85 0.457 -3.441 4.592 626 H GLN 86 H GLN 86 3.347 2.333 0.918 627 HA GLN 86 HA GLN 86 4.133 1.433 3.361 628 HB2 GLN 86 HB2 GLN 86 5.639 2.211 1.518 629 HB3 GLN 86 HB3 GLN 86 5.357 3.868 2.002 630 HG2 GLN 86 HG2 GLN 86 7.548 2.774 2.755 631 HG3 GLN 86 HG3 GLN 86 6.627 3.636 3.995 632 HE21 GLN 86 HE21 GLN 86 5.625 2.377 5.651 633 HE22 GLN 86 HE22 GLN 86 6.072 0.746 5.951 634 H GLU 87 H GLU 87 2.968 4.758 2.668 635 HA GLU 87 HA GLU 87 3.470 6.031 5.105 636 HB2 GLU 87 HB2 GLU 87 2.773 7.252 3.098 637 HB3 GLU 87 HB3 GLU 87 1.182 6.503 3.150 638 HG2 GLU 87 HG2 GLU 87 0.632 7.698 5.200 639 HG3 GLU 87 HG3 GLU 87 2.268 8.350 5.304 640 H ALA 88 H ALA 88 0.778 3.893 4.263 641 HA ALA 88 HA ALA 88 -0.907 4.274 6.475 642 HB1 ALA 88 HB1 ALA 88 -0.394 1.694 4.954 643 HB2 ALA 88 HB2 ALA 88 -1.540 2.953 4.491 644 HB3 ALA 88 HB3 ALA 88 -1.796 2.037 5.977 645 H PHE 89 H PHE 89 1.898 2.080 6.103 646 HA PHE 89 HA PHE 89 1.814 0.945 8.732 647 HB2 PHE 89 HB2 PHE 89 2.976 -0.146 6.825 648 HB3 PHE 89 HB3 PHE 89 4.145 1.168 6.774 649 HD1 PHE 89 HD2 PHE 89 2.918 -1.674 8.862 650 HD2 PHE 89 HD1 PHE 89 6.069 1.150 8.225 651 HE1 PHE 89 HE2 PHE 89 4.328 -2.872 10.478 652 HE2 PHE 89 HE1 PHE 89 7.472 -0.057 9.845 653 HZ PHE 89 HZ PHE 89 6.604 -2.067 10.975 654 H GLU 90 H GLU 90 3.593 3.648 7.288 655 HA GLU 90 HA GLU 90 5.170 4.372 9.533 656 HB2 GLU 90 HB2 GLU 90 4.186 6.191 7.293 657 HB3 GLU 90 HB3 GLU 90 5.593 6.461 8.319 658 HG2 GLU 90 HG2 GLU 90 5.282 4.218 6.288 659 HG3 GLU 90 HG3 GLU 90 6.209 5.684 6.048 660 H ALA 91 H ALA 91 1.845 5.025 8.711 661 HA ALA 91 HA ALA 91 1.360 6.970 10.823 662 HB1 ALA 91 HB1 ALA 91 -0.993 6.793 10.112 663 HB2 ALA 91 HB2 ALA 91 -0.580 5.436 9.056 664 HB3 ALA 91 HB3 ALA 91 0.074 7.042 8.728 665 H GLY 92 H GLY 92 1.244 3.480 10.450 666 HA2 GLY 92 HA2 GLY 92 1.545 2.193 12.528 667 HA3 GLY 92 HA3 GLY 92 0.287 3.173 13.260 668 H MET 93 H MET 93 -0.973 2.759 10.329 669 HA MET 93 HA MET 93 -2.768 0.647 11.228 670 HB2 MET 93 HB2 MET 93 -2.890 2.384 8.724 671 HB3 MET 93 HB3 MET 93 -4.163 1.300 9.282 672 HG2 MET 93 HG2 MET 93 -3.161 3.782 10.700 673 HG3 MET 93 HG3 MET 93 -4.711 3.590 9.881 674 HE1 MET 93 HE1 MET 93 -6.690 1.983 10.803 675 HE2 MET 93 HE2 MET 93 -6.529 1.004 12.261 676 HE3 MET 93 HE3 MET 93 -5.579 0.611 10.830 677 H ALA 94 H ALA 94 -1.572 1.166 7.900 678 HA ALA 94 HA ALA 94 -1.079 -0.204 6.194 679 HB1 ALA 94 HB1 ALA 94 0.574 -1.957 6.542 680 HB2 ALA 94 HB2 ALA 94 0.297 -1.895 8.282 681 HB3 ALA 94 HB3 ALA 94 0.990 -0.507 7.454 682 HA PRO 95 HA PRO 95 -4.552 -3.251 6.535 683 HB2 PRO 95 HB2 PRO 95 -5.784 -2.556 4.239 684 HB3 PRO 95 HB3 PRO 95 -5.922 -1.536 5.681 685 HG2 PRO 95 HG2 PRO 95 -4.066 -1.219 3.310 686 HG3 PRO 95 HG3 PRO 95 -5.125 -0.002 4.062 687 HD2 PRO 95 HD2 PRO 95 -2.471 -0.193 4.666 688 HD3 PRO 95 HD3 PRO 95 -3.681 0.338 5.857 689 HA PRO 96 HA PRO 96 -2.935 -6.467 3.724 690 HB2 PRO 96 HB2 PRO 96 -5.102 -7.367 2.226 691 HB3 PRO 96 HB3 PRO 96 -4.768 -7.850 3.895 692 HG2 PRO 96 HG2 PRO 96 -6.617 -5.681 2.888 693 HG3 PRO 96 HG3 PRO 96 -6.930 -6.924 4.120 694 HD2 PRO 96 HD2 PRO 96 -6.310 -4.433 4.860 695 HD3 PRO 96 HD3 PRO 96 -5.626 -5.812 5.751 696 H VAL 97 H VAL 97 -1.621 -6.165 2.043 697 HA VAL 97 HA VAL 97 -2.447 -4.610 -0.333 698 HB VAL 97 HB VAL 97 -0.414 -3.744 0.716 699 HG11 VAL 97 HG11 VAL 97 0.826 -6.493 0.369 700 HG12 VAL 97 HG12 VAL 97 0.343 -5.748 1.897 701 HG13 VAL 97 HG13 VAL 97 1.656 -5.041 0.950 702 HG21 VAL 97 HG21 VAL 97 -0.466 -3.588 -1.740 703 HG22 VAL 97 HG22 VAL 97 0.299 -5.173 -1.879 704 HG23 VAL 97 HG23 VAL 97 1.196 -3.822 -1.180 705 H VAL 98 H VAL 98 -2.214 -5.510 -2.412 706 HA VAL 98 HA VAL 98 -2.569 -8.398 -2.528 707 HB VAL 98 HB VAL 98 -4.191 -6.952 -3.634 708 HG11 VAL 98 HG11 VAL 98 -3.656 -5.600 -5.607 709 HG12 VAL 98 HG12 VAL 98 -1.951 -6.019 -5.457 710 HG13 VAL 98 HG13 VAL 98 -2.736 -5.058 -4.202 711 HG21 VAL 98 HG21 VAL 98 -4.298 -8.031 -5.848 712 HG22 VAL 98 HG22 VAL 98 -3.877 -9.192 -4.587 713 HG23 VAL 98 HG23 VAL 98 -2.627 -8.575 -5.672 714 H LEU 99 H LEU 99 -0.484 -9.261 -2.211 715 HA LEU 99 HA LEU 99 1.863 -8.432 -3.556 716 HB2 LEU 99 HB2 LEU 99 1.134 -10.680 -1.755 717 HB3 LEU 99 HB3 LEU 99 2.471 -11.040 -2.827 718 HG LEU 99 HG LEU 99 2.361 -8.761 -0.809 719 HD11 LEU 99 HD11 LEU 99 4.184 -9.966 0.308 720 HD12 LEU 99 HD12 LEU 99 4.060 -11.276 -0.872 721 HD13 LEU 99 HD13 LEU 99 2.717 -10.939 0.226 722 HD21 LEU 99 HD21 LEU 99 4.568 -9.477 -2.785 723 HD22 LEU 99 HD22 LEU 99 4.704 -8.291 -1.486 724 HD23 LEU 99 HD23 LEU 99 3.576 -8.018 -2.807 725 H GLN 100 H GLN 100 -0.643 -10.599 -4.662 726 HA GLN 100 HA GLN 100 0.888 -11.911 -6.716 727 HB2 GLN 100 HB2 GLN 100 -1.290 -12.729 -7.534 728 HB3 GLN 100 HB3 GLN 100 -1.163 -12.910 -5.788 729 HG2 GLN 100 HG2 GLN 100 -2.520 -10.829 -5.514 730 HG3 GLN 100 HG3 GLN 100 -2.724 -10.764 -7.260 731 HE21 GLN 100 HE21 GLN 100 -4.118 -12.280 -8.246 732 HE22 GLN 100 HE22 GLN 100 -5.244 -13.209 -7.332 733 H SER 101 H SER 101 -0.147 -8.711 -6.478 734 HA SER 101 HA SER 101 0.021 -8.274 -9.417 735 HB2 SER 101 HB2 SER 101 -2.265 -7.818 -8.549 736 HB3 SER 101 HB3 SER 101 -1.601 -6.664 -7.396 737 HG SER 101 HG SER 101 -0.798 -5.504 -9.292 738 H THR 102 H THR 102 1.504 -7.637 -6.401 739 HA THR 102 HA THR 102 2.535 -4.974 -7.025 740 HB THR 102 HB THR 102 3.039 -6.791 -4.620 741 HG1 THR 102 HG1 THR 102 0.975 -5.199 -5.292 742 HG21 THR 102 HG21 THR 102 3.766 -3.855 -4.974 743 HG22 THR 102 HG22 THR 102 4.916 -5.193 -4.912 744 HG23 THR 102 HG23 THR 102 3.948 -4.797 -3.492 745 H GLU 103 H GLU 103 4.450 -4.551 -8.011 746 HA GLU 103 HA GLU 103 6.342 -6.709 -8.654 747 HB2 GLU 103 HB2 GLU 103 5.496 -5.006 -10.384 748 HB3 GLU 103 HB3 GLU 103 6.450 -3.792 -9.544 749 HG2 GLU 103 HG2 GLU 103 8.507 -5.136 -10.017 750 HG3 GLU 103 HG3 GLU 103 7.518 -6.269 -10.937 751 H LYS 104 H LYS 104 8.734 -6.241 -8.499 752 HA LYS 104 HA LYS 104 9.621 -5.634 -5.893 753 HB2 LYS 104 HB2 LYS 104 11.898 -5.880 -6.822 754 HB3 LYS 104 HB3 LYS 104 10.829 -7.170 -7.363 755 HG2 LYS 104 HG2 LYS 104 10.606 -6.171 -9.557 756 HG3 LYS 104 HG3 LYS 104 11.471 -4.721 -9.045 757 HD2 LYS 104 HD2 LYS 104 12.662 -7.516 -9.239 758 HD3 LYS 104 HD3 LYS 104 12.890 -6.220 -10.417 759 HE2 LYS 104 HE2 LYS 104 13.983 -4.847 -8.611 760 HE3 LYS 104 HE3 LYS 104 13.833 -6.229 -7.524 761 HZ1 LYS 104 HZ1 LYS 104 15.379 -6.149 -10.048 762 HZ2 LYS 104 HZ2 LYS 104 15.223 -7.501 -9.045 763 HZ3 LYS 104 HZ3 LYS 104 16.016 -6.118 -8.482 764 H SER 105 H SER 105 9.099 -3.432 -8.583 765 HA SER 105 HA SER 105 10.798 -1.297 -7.850 766 HB2 SER 105 HB2 SER 105 8.109 -1.246 -9.246 767 HB3 SER 105 HB3 SER 105 9.109 0.192 -9.036 768 HG SER 105 HG SER 105 9.259 -1.539 -10.964 769 H ALA 106 H ALA 106 7.809 -2.400 -6.411 770 HA ALA 106 HA ALA 106 7.067 -0.261 -4.787 771 HB1 ALA 106 HB1 ALA 106 6.992 -3.215 -4.072 772 HB2 ALA 106 HB2 ALA 106 5.745 -2.329 -4.950 773 HB3 ALA 106 HB3 ALA 106 6.077 -1.936 -3.264 774 H LEU 107 H LEU 107 9.671 -2.603 -4.346 775 HA LEU 107 HA LEU 107 10.327 -2.051 -1.625 776 HB2 LEU 107 HB2 LEU 107 11.780 -3.460 -3.880 777 HB3 LEU 107 HB3 LEU 107 12.547 -3.234 -2.320 778 HG LEU 107 HG LEU 107 10.755 -4.569 -1.230 779 HD11 LEU 107 HD11 LEU 107 9.704 -5.091 -4.030 780 HD12 LEU 107 HD12 LEU 107 8.890 -4.162 -2.769 781 HD13 LEU 107 HD13 LEU 107 9.165 -5.889 -2.548 782 HD21 LEU 107 HD21 LEU 107 12.133 -6.007 -3.528 783 HD22 LEU 107 HD22 LEU 107 11.476 -6.761 -2.073 784 HD23 LEU 107 HD23 LEU 107 12.841 -5.654 -1.948 785 H ARG 108 H ARG 108 10.656 0.078 -4.112 786 HA ARG 108 HA ARG 108 13.182 1.291 -3.195 787 HB2 ARG 108 HB2 ARG 108 11.336 2.218 -5.434 788 HB3 ARG 108 HB3 ARG 108 12.974 2.788 -5.108 789 HG2 ARG 108 HG2 ARG 108 13.745 0.375 -5.580 790 HG3 ARG 108 HG3 ARG 108 12.111 0.088 -6.192 791 HD2 ARG 108 HD2 ARG 108 13.584 0.606 -8.051 792 HD3 ARG 108 HD3 ARG 108 12.450 1.946 -7.838 793 HE ARG 108 HE ARG 108 15.060 2.185 -6.533 794 HH11 ARG 108 HH11 ARG 108 13.084 3.163 -9.202 795 HH12 ARG 108 HH12 ARG 108 14.148 4.445 -9.644 796 HH21 ARG 108 HH21 ARG 108 16.388 3.822 -7.122 797 HH22 ARG 108 HH22 ARG 108 15.999 4.813 -8.485 798 H TYR 109 H TYR 109 10.046 1.267 -2.279 799 HA TYR 109 HA TYR 109 10.034 3.984 -1.108 800 HB2 TYR 109 HB2 TYR 109 7.629 2.489 -2.259 801 HB3 TYR 109 HB3 TYR 109 7.574 4.068 -1.491 802 HD1 TYR 109 HD1 TYR 109 8.589 2.228 -4.563 803 HD2 TYR 109 HD2 TYR 109 8.265 6.065 -2.705 804 HE1 TYR 109 HE1 TYR 109 8.946 3.320 -6.739 805 HE2 TYR 109 HE2 TYR 109 8.627 7.148 -4.868 806 HH TYR 109 HH TYR 109 9.666 6.636 -7.027 807 H VAL 110 H VAL 110 8.374 0.807 -1.042 808 HA VAL 110 HA VAL 110 8.195 0.789 1.867 809 HB VAL 110 HB VAL 110 7.007 -1.327 1.693 810 HG11 VAL 110 HG11 VAL 110 6.012 0.504 -0.484 811 HG12 VAL 110 HG12 VAL 110 5.647 0.615 1.247 812 HG13 VAL 110 HG13 VAL 110 5.095 -0.782 0.324 813 HG21 VAL 110 HG21 VAL 110 7.570 -1.315 -1.267 814 HG22 VAL 110 HG22 VAL 110 6.546 -2.464 -0.411 815 HG23 VAL 110 HG23 VAL 110 8.279 -2.412 -0.086 816 H SER 111 H SER 111 8.808 -1.248 3.013 817 HA SER 111 HA SER 111 11.138 -2.700 1.927 818 HB2 SER 111 HB2 SER 111 11.161 -2.101 4.296 819 HB3 SER 111 HB3 SER 111 9.652 -2.955 4.585 820 HG SER 111 HG SER 111 11.939 -3.981 4.910 821 H LEU 112 H LEU 112 10.976 -4.909 1.343 822 HA LEU 112 HA LEU 112 8.533 -6.006 0.448 823 HB2 LEU 112 HB2 LEU 112 10.491 -6.930 -0.474 824 HB3 LEU 112 HB3 LEU 112 11.214 -7.196 1.080 825 HG LEU 112 HG LEU 112 8.775 -8.842 0.448 826 HD11 LEU 112 HD11 LEU 112 10.036 -10.517 -0.803 827 HD12 LEU 112 HD12 LEU 112 11.472 -9.485 -0.785 828 HD13 LEU 112 HD13 LEU 112 10.029 -8.977 -1.667 829 HD21 LEU 112 HD21 LEU 112 10.063 -10.604 1.658 830 HD22 LEU 112 HD22 LEU 112 9.838 -9.144 2.617 831 HD23 LEU 112 HD23 LEU 112 11.402 -9.464 1.856 832 H ALA 113 H ALA 113 10.160 -6.170 3.551 833 HA ALA 113 HA ALA 113 8.600 -8.041 4.921 834 HB1 ALA 113 HB1 ALA 113 10.699 -7.112 5.790 835 HB2 ALA 113 HB2 ALA 113 9.399 -6.937 6.970 836 HB3 ALA 113 HB3 ALA 113 9.926 -5.542 6.020 837 H ASP 114 H ASP 114 7.799 -4.633 4.109 838 HA ASP 114 HA ASP 114 5.531 -4.436 5.867 839 HB2 ASP 114 HB2 ASP 114 6.780 -2.452 4.891 840 HB3 ASP 114 HB3 ASP 114 6.080 -2.835 3.322 841 H LEU 115 H LEU 115 6.050 -5.465 2.539 842 HA LEU 115 HA LEU 115 3.353 -5.677 1.682 843 HB2 LEU 115 HB2 LEU 115 5.790 -7.216 0.700 844 HB3 LEU 115 HB3 LEU 115 4.270 -7.027 -0.165 845 HG LEU 115 HG LEU 115 6.247 -4.796 0.456 846 HD11 LEU 115 HD11 LEU 115 5.573 -6.104 -2.185 847 HD12 LEU 115 HD12 LEU 115 7.077 -6.304 -1.274 848 HD13 LEU 115 HD13 LEU 115 6.656 -4.724 -1.941 849 HD21 LEU 115 HD21 LEU 115 3.947 -3.983 0.433 850 HD22 LEU 115 HD22 LEU 115 3.698 -4.694 -1.165 851 HD23 LEU 115 HD23 LEU 115 4.864 -3.385 -0.944 852 H GLN 116 H GLN 116 5.676 -8.040 2.946 853 HA GLN 116 HA GLN 116 3.952 -10.322 2.661 854 HB2 GLN 116 HB2 GLN 116 6.591 -10.057 4.148 855 HB3 GLN 116 HB3 GLN 116 5.817 -11.561 3.656 856 HG2 GLN 116 HG2 GLN 116 5.960 -10.320 1.242 857 HG3 GLN 116 HG3 GLN 116 7.345 -9.588 2.036 858 HE21 GLN 116 HE21 GLN 116 7.244 -11.481 -0.222 859 HE22 GLN 116 HE22 GLN 116 8.213 -12.819 0.257 860 H ALA 117 H ALA 117 5.023 -8.344 5.402 861 HA ALA 117 HA ALA 117 3.762 -9.693 7.522 862 HB1 ALA 117 HB1 ALA 117 5.336 -7.857 7.885 863 HB2 ALA 117 HB2 ALA 117 3.813 -7.524 8.713 864 HB3 ALA 117 HB3 ALA 117 4.195 -6.705 7.189 865 H HIS 118 H HIS 118 2.360 -7.727 5.002 866 HA HIS 118 HA HIS 118 -0.325 -7.884 6.264 867 HB2 HIS 118 HB2 HIS 118 0.770 -5.712 4.421 868 HB3 HIS 118 HB3 HIS 118 -0.867 -5.767 5.081 869 HD1 HIS 118 HD1 HIS 118 -0.921 -5.761 7.815 870 HD2 HIS 118 HD2 HIS 118 2.520 -4.303 6.022 871 HE1 HIS 118 HE1 HIS 118 0.304 -4.547 9.623 872 HE2 HIS 118 HE2 HIS 118 2.250 -3.481 8.453 873 H ALA 119 H ALA 119 1.256 -9.629 4.151 874 HA ALA 119 HA ALA 119 -1.222 -10.384 2.849 875 HB1 ALA 119 HB1 ALA 119 1.174 -9.712 1.111 876 HB2 ALA 119 HB2 ALA 119 -0.296 -8.749 1.244 877 HB3 ALA 119 HB3 ALA 119 -0.368 -10.371 0.553 878 H LEU 120 H LEU 120 1.839 -11.460 1.462 879 HA LEU 120 HA LEU 120 1.335 -14.148 2.584 880 HB2 LEU 120 HB2 LEU 120 1.970 -13.323 -0.248 881 HB3 LEU 120 HB3 LEU 120 2.403 -14.924 0.298 882 HG LEU 120 HG LEU 120 0.342 -15.169 -0.845 883 HD11 LEU 120 HD11 LEU 120 0.501 -16.446 1.233 884 HD12 LEU 120 HD12 LEU 120 -1.174 -16.045 0.846 885 HD13 LEU 120 HD13 LEU 120 -0.321 -15.150 2.110 886 HD21 LEU 120 HD21 LEU 120 -1.695 -13.882 -0.413 887 HD22 LEU 120 HD22 LEU 120 -0.381 -12.823 -0.916 888 HD23 LEU 120 HD23 LEU 120 -0.848 -12.897 0.784 889 HA PRO 121 HA PRO 121 5.619 -13.849 3.826 890 HB2 PRO 121 HB2 PRO 121 5.737 -16.166 5.233 891 HB3 PRO 121 HB3 PRO 121 4.786 -14.785 5.779 892 HG2 PRO 121 HG2 PRO 121 3.878 -17.368 4.610 893 HG3 PRO 121 HG3 PRO 121 3.026 -16.273 5.712 894 HD2 PRO 121 HD2 PRO 121 2.713 -16.477 2.860 895 HD3 PRO 121 HD3 PRO 121 1.925 -15.317 3.947 896 H VAL 122 H VAL 122 7.552 -14.319 2.853 897 HA VAL 122 HA VAL 122 7.780 -16.262 0.734 898 HB VAL 122 HB VAL 122 8.980 -14.019 0.772 899 HG11 VAL 122 HG11 VAL 122 9.766 -14.010 3.103 900 HG12 VAL 122 HG12 VAL 122 11.112 -13.780 1.986 901 HG13 VAL 122 HG13 VAL 122 10.864 -15.350 2.754 902 HG21 VAL 122 HG21 VAL 122 10.728 -16.462 0.313 903 HG22 VAL 122 HG22 VAL 122 11.073 -14.838 -0.289 904 HG23 VAL 122 HG23 VAL 122 9.646 -15.705 -0.861 905 H LEU 123 H LEU 123 9.151 -18.126 0.697 906 HA LEU 123 HA LEU 123 10.242 -19.062 3.281 907 HB2 LEU 123 HB2 LEU 123 10.006 -21.398 2.492 908 HB3 LEU 123 HB3 LEU 123 8.482 -20.579 2.691 909 HG LEU 123 HG LEU 123 8.343 -22.080 0.813 910 HD11 LEU 123 HD11 LEU 123 7.584 -20.649 -0.997 911 HD12 LEU 123 HD12 LEU 123 8.377 -19.258 -0.254 912 HD13 LEU 123 HD13 LEU 123 7.043 -20.063 0.576 913 HD21 LEU 123 HD21 LEU 123 10.704 -22.284 0.219 914 HD22 LEU 123 HD22 LEU 123 10.677 -20.678 -0.513 915 HD23 LEU 123 HD23 LEU 123 9.701 -21.980 -1.200 916 H GLU 124 H GLU 124 12.058 -20.716 2.862 917 HA GLU 124 HA GLU 124 13.957 -19.614 0.877 918 HB2 GLU 124 HB2 GLU 124 15.767 -19.773 2.542 919 HB3 GLU 124 HB3 GLU 124 14.503 -18.687 3.090 920 HG2 GLU 124 HG2 GLU 124 14.805 -21.553 4.062 921 HG3 GLU 124 HG3 GLU 124 15.497 -20.156 4.879 922 H HIS 125 H HIS 125 15.751 -21.057 0.359 923 HA HIS 125 HA HIS 125 14.955 -23.769 -0.135 924 HB2 HIS 125 HB2 HIS 125 17.696 -22.470 -0.474 925 HB3 HIS 125 HB3 HIS 125 17.206 -24.020 -1.152 926 HD1 HIS 125 HD1 HIS 125 15.199 -23.851 -2.979 927 HD2 HIS 125 HD2 HIS 125 17.206 -20.321 -2.101 928 HE1 HIS 125 HE1 HIS 125 14.691 -22.301 -4.884 929 HE2 HIS 125 HE2 HIS 125 15.773 -20.125 -4.244 930 H HIS 126 H HIS 126 14.949 -25.304 1.413 931 HA HIS 126 HA HIS 126 16.435 -24.952 3.894 932 HB2 HIS 126 HB2 HIS 126 14.447 -27.101 3.049 933 HB3 HIS 126 HB3 HIS 126 15.136 -26.947 4.663 934 HD1 HIS 126 HD1 HIS 126 12.462 -25.634 2.496 935 HD2 HIS 126 HD2 HIS 126 14.237 -24.620 6.112 936 HE1 HIS 126 HE1 HIS 126 10.881 -24.023 3.587 937 HE2 HIS 126 HE2 HIS 126 12.084 -23.259 5.655 938 H HIS 127 H HIS 127 18.297 -25.919 4.419 939 HA HIS 127 HA HIS 127 19.121 -28.508 3.430 940 HB2 HIS 127 HB2 HIS 127 21.295 -27.695 2.459 941 HB3 HIS 127 HB3 HIS 127 19.891 -27.176 1.537 942 HD1 HIS 127 HD1 HIS 127 22.769 -25.863 3.496 943 HD2 HIS 127 HD2 HIS 127 19.351 -24.371 1.660 944 HE1 HIS 127 HE1 HIS 127 23.111 -23.382 3.355 945 HE2 HIS 127 HE2 HIS 127 21.136 -22.543 2.045 946 H HIS 128 H HIS 128 21.323 -29.130 4.360 947 HA HIS 128 HA HIS 128 21.311 -28.729 7.176 948 HB2 HIS 128 HB2 HIS 128 23.478 -29.944 5.421 949 HB3 HIS 128 HB3 HIS 128 23.422 -30.057 7.176 950 HD1 HIS 128 HD1 HIS 128 21.125 -31.295 8.079 951 HD2 HIS 128 HD2 HIS 128 22.316 -32.052 4.177 952 HE1 HIS 128 HE1 HIS 128 19.952 -33.413 7.430 953 HE2 HIS 128 HE2 HIS 128 20.672 -33.842 5.059 954 H HIS 129 H HIS 129 22.172 -27.147 8.363 955 HA HIS 129 HA HIS 129 23.546 -24.935 7.090 956 HB2 HIS 129 HB2 HIS 129 22.542 -25.349 9.936 957 HB3 HIS 129 HB3 HIS 129 23.324 -23.869 9.382 958 HD1 HIS 129 HD1 HIS 129 20.183 -25.905 8.799 959 HD2 HIS 129 HD2 HIS 129 21.680 -22.106 8.025 960 HE1 HIS 129 HE1 HIS 129 18.248 -24.589 7.910 961 HE2 HIS 129 HE2 HIS 129 19.126 -22.253 7.647 962 H HIS 130 H HIS 130 25.607 -25.361 6.623 963 HA HIS 130 HA HIS 130 27.840 -25.513 6.790 964 HB2 HIS 130 HB2 HIS 130 27.406 -24.812 9.718 965 HB3 HIS 130 HB3 HIS 130 28.948 -24.727 8.871 966 HD1 HIS 130 HD1 HIS 130 29.099 -22.877 6.941 967 HD2 HIS 130 HD2 HIS 130 25.783 -22.588 9.422 968 HE1 HIS 130 HE1 HIS 130 28.194 -20.568 6.573 969 HE2 HIS 130 HE2 HIS 130 26.124 -20.455 7.991 Start of MODEL 15 1 H1 MET 1 H1 MET 1 4.933 -41.200 -33.137 2 H2 MET 1 H2 MET 1 6.198 -40.090 -32.958 3 H3 MET 1 H3 MET 1 6.178 -41.137 -34.280 4 HA MET 1 HA MET 1 5.542 -38.879 -34.874 5 HB2 MET 1 HB2 MET 1 4.711 -40.961 -36.074 6 HB3 MET 1 HB3 MET 1 3.236 -40.862 -35.126 7 HG2 MET 1 HG2 MET 1 4.187 -38.717 -37.046 8 HG3 MET 1 HG3 MET 1 3.020 -39.980 -37.444 9 HE1 MET 1 HE1 MET 1 0.596 -36.961 -37.313 10 HE2 MET 1 HE2 MET 1 1.058 -38.430 -38.174 11 HE3 MET 1 HE3 MET 1 2.191 -37.082 -38.060 12 H GLY 2 H GLY 2 5.177 -37.235 -33.442 13 HA2 GLY 2 HA2 GLY 2 2.535 -36.966 -32.147 14 HA3 GLY 2 HA3 GLY 2 3.953 -36.979 -31.106 15 H GLN 3 H GLN 3 2.448 -35.296 -33.831 16 HA GLN 3 HA GLN 3 4.059 -32.916 -33.701 17 HB2 GLN 3 HB2 GLN 3 1.333 -33.334 -35.008 18 HB3 GLN 3 HB3 GLN 3 2.414 -31.972 -35.295 19 HG2 GLN 3 HG2 GLN 3 4.098 -33.518 -36.257 20 HG3 GLN 3 HG3 GLN 3 3.004 -34.872 -35.991 21 HE21 GLN 3 HE21 GLN 3 1.091 -34.990 -37.279 22 HE22 GLN 3 HE22 GLN 3 0.975 -34.153 -38.783 23 H GLY 4 H GLY 4 1.078 -33.963 -32.152 24 HA2 GLY 4 HA2 GLY 4 0.161 -31.485 -31.105 25 HA3 GLY 4 HA3 GLY 4 -0.202 -33.077 -30.462 26 H GLN 5 H GLN 5 1.386 -30.182 -29.868 27 HA GLN 5 HA GLN 5 2.884 -31.226 -27.551 28 HB2 GLN 5 HB2 GLN 5 4.848 -29.841 -28.148 29 HB3 GLN 5 HB3 GLN 5 4.519 -31.053 -29.383 30 HG2 GLN 5 HG2 GLN 5 3.451 -29.331 -30.802 31 HG3 GLN 5 HG3 GLN 5 3.748 -28.118 -29.558 32 HE21 GLN 5 HE21 GLN 5 4.649 -28.191 -32.340 33 HE22 GLN 5 HE22 GLN 5 6.372 -28.092 -32.284 34 H ASN 6 H ASN 6 3.722 -29.366 -26.174 35 HA ASN 6 HA ASN 6 1.748 -27.145 -26.035 36 HB2 ASN 6 HB2 ASN 6 3.273 -28.532 -23.785 37 HB3 ASN 6 HB3 ASN 6 2.254 -27.112 -23.562 38 HD21 ASN 6 HD21 ASN 6 -0.013 -27.341 -23.806 39 HD22 ASN 6 HD22 ASN 6 -0.778 -28.889 -23.749 40 H VAL 7 H VAL 7 2.461 -25.081 -25.511 41 HA VAL 7 HA VAL 7 5.145 -24.309 -26.292 42 HB VAL 7 HB VAL 7 4.391 -22.046 -26.208 43 HG11 VAL 7 HG11 VAL 7 1.933 -23.703 -26.877 44 HG12 VAL 7 HG12 VAL 7 3.260 -23.326 -27.983 45 HG13 VAL 7 HG13 VAL 7 2.214 -22.034 -27.388 46 HG21 VAL 7 HG21 VAL 7 2.107 -22.891 -24.362 47 HG22 VAL 7 HG22 VAL 7 2.339 -21.264 -25.008 48 HG23 VAL 7 HG23 VAL 7 3.528 -21.948 -23.901 49 H LEU 8 H LEU 8 3.732 -25.320 -23.417 50 HA LEU 8 HA LEU 8 5.206 -23.714 -21.518 51 HB2 LEU 8 HB2 LEU 8 3.424 -26.135 -21.117 52 HB3 LEU 8 HB3 LEU 8 3.995 -25.050 -19.864 53 HG LEU 8 HG LEU 8 2.103 -24.299 -22.115 54 HD11 LEU 8 HD11 LEU 8 1.566 -24.636 -19.162 55 HD12 LEU 8 HD12 LEU 8 1.037 -25.714 -20.457 56 HD13 LEU 8 HD13 LEU 8 0.408 -24.071 -20.371 57 HD21 LEU 8 HD21 LEU 8 1.855 -22.117 -20.980 58 HD22 LEU 8 HD22 LEU 8 3.506 -22.377 -21.533 59 HD23 LEU 8 HD23 LEU 8 3.113 -22.572 -19.823 60 H GLY 9 H GLY 9 5.299 -27.063 -22.739 61 HA2 GLY 9 HA2 GLY 9 7.345 -27.985 -20.901 62 HA3 GLY 9 HA3 GLY 9 6.628 -28.886 -22.221 63 H GLN 10 H GLN 10 8.671 -25.966 -21.888 64 HA GLN 10 HA GLN 10 10.858 -27.089 -23.395 65 HB2 GLN 10 HB2 GLN 10 10.827 -25.243 -25.151 66 HB3 GLN 10 HB3 GLN 10 9.578 -26.468 -25.331 67 HG2 GLN 10 HG2 GLN 10 7.915 -24.927 -24.340 68 HG3 GLN 10 HG3 GLN 10 9.168 -23.702 -24.137 69 HE21 GLN 10 HE21 GLN 10 8.038 -22.221 -25.434 70 HE22 GLN 10 HE22 GLN 10 7.909 -22.397 -27.148 71 H ASP 11 H ASP 11 9.424 -24.023 -22.189 72 HA ASP 11 HA ASP 11 11.969 -22.762 -21.684 73 HB2 ASP 11 HB2 ASP 11 9.934 -21.475 -22.334 74 HB3 ASP 11 HB3 ASP 11 9.150 -21.948 -20.828 75 H LEU 12 H LEU 12 12.665 -21.986 -19.531 76 HA LEU 12 HA LEU 12 12.545 -24.057 -17.502 77 HB2 LEU 12 HB2 LEU 12 14.010 -21.382 -17.568 78 HB3 LEU 12 HB3 LEU 12 14.107 -22.511 -16.225 79 HG LEU 12 HG LEU 12 15.053 -24.223 -17.888 80 HD11 LEU 12 HD11 LEU 12 14.373 -23.172 -19.998 81 HD12 LEU 12 HD12 LEU 12 16.118 -23.408 -19.935 82 HD13 LEU 12 HD13 LEU 12 15.438 -21.799 -19.674 83 HD21 LEU 12 HD21 LEU 12 17.337 -23.339 -17.730 84 HD22 LEU 12 HD22 LEU 12 16.451 -23.092 -16.227 85 HD23 LEU 12 HD23 LEU 12 16.704 -21.739 -17.333 86 H GLU 13 H GLU 13 11.323 -24.077 -15.699 87 HA GLU 13 HA GLU 13 9.207 -22.266 -15.191 88 HB2 GLU 13 HB2 GLU 13 8.907 -23.572 -13.066 89 HB3 GLU 13 HB3 GLU 13 9.045 -24.582 -14.502 90 HG2 GLU 13 HG2 GLU 13 11.337 -25.166 -13.967 91 HG3 GLU 13 HG3 GLU 13 11.358 -24.029 -12.619 92 H VAL 14 H VAL 14 12.510 -22.347 -13.987 93 HA VAL 14 HA VAL 14 12.101 -19.924 -12.366 94 HB VAL 14 HB VAL 14 11.935 -21.805 -10.772 95 HG11 VAL 14 HG11 VAL 14 14.706 -22.660 -11.690 96 HG12 VAL 14 HG12 VAL 14 13.200 -23.530 -11.990 97 HG13 VAL 14 HG13 VAL 14 13.806 -23.362 -10.341 98 HG21 VAL 14 HG21 VAL 14 14.574 -20.325 -10.424 99 HG22 VAL 14 HG22 VAL 14 13.659 -21.115 -9.138 100 HG23 VAL 14 HG23 VAL 14 12.982 -19.710 -9.969 101 H CYS 15 H CYS 15 13.777 -18.490 -12.435 102 HA CYS 15 HA CYS 15 16.086 -19.095 -14.183 103 HB2 CYS 15 HB2 CYS 15 14.756 -17.115 -14.791 104 HB3 CYS 15 HB3 CYS 15 15.003 -16.430 -13.191 105 HG CYS 15 HG CYS 15 16.545 -15.061 -15.125 106 H CYS 16 H CYS 16 15.326 -18.706 -10.853 107 HA CYS 16 HA CYS 16 17.804 -17.560 -9.949 108 HB2 CYS 16 HB2 CYS 16 15.686 -17.302 -8.659 109 HB3 CYS 16 HB3 CYS 16 15.708 -19.023 -8.287 110 HG CYS 16 HG CYS 16 18.555 -17.528 -7.431 111 H CYS 17 H CYS 17 19.182 -19.119 -11.160 112 HA CYS 17 HA CYS 17 20.017 -21.339 -9.377 113 HB2 CYS 17 HB2 CYS 17 20.698 -20.996 -12.337 114 HB3 CYS 17 HB3 CYS 17 21.189 -22.337 -11.309 115 HG CYS 17 HG CYS 17 19.167 -23.816 -11.790 116 H ALA 18 H ALA 18 21.529 -19.219 -11.853 117 HA ALA 18 HA ALA 18 23.793 -18.617 -10.094 118 HB1 ALA 18 HB1 ALA 18 24.226 -19.121 -12.469 119 HB2 ALA 18 HB2 ALA 18 24.787 -17.505 -12.045 120 HB3 ALA 18 HB3 ALA 18 23.288 -17.707 -12.956 121 HA PRO 19 HA PRO 19 21.824 -14.196 -10.077 122 HB2 PRO 19 HB2 PRO 19 19.510 -13.576 -11.314 123 HB3 PRO 19 HB3 PRO 19 21.024 -13.678 -12.227 124 HG2 PRO 19 HG2 PRO 19 18.828 -15.735 -11.979 125 HG3 PRO 19 HG3 PRO 19 19.688 -15.192 -13.436 126 HD2 PRO 19 HD2 PRO 19 20.349 -17.494 -12.038 127 HD3 PRO 19 HD3 PRO 19 21.503 -16.584 -13.035 128 H MET 20 H MET 20 19.990 -13.094 -8.919 129 HA MET 20 HA MET 20 18.576 -14.939 -7.075 130 HB2 MET 20 HB2 MET 20 19.183 -11.972 -6.670 131 HB3 MET 20 HB3 MET 20 18.623 -13.117 -5.459 132 HG2 MET 20 HG2 MET 20 20.763 -14.249 -5.461 133 HG3 MET 20 HG3 MET 20 21.324 -13.270 -6.821 134 HE1 MET 20 HE1 MET 20 23.499 -12.372 -5.728 135 HE2 MET 20 HE2 MET 20 23.222 -13.441 -4.352 136 HE3 MET 20 HE3 MET 20 23.600 -11.740 -4.086 137 H THR 21 H THR 21 16.676 -15.291 -8.346 138 HA THR 21 HA THR 21 15.065 -12.894 -9.066 139 HB THR 21 HB THR 21 13.887 -14.248 -10.740 140 HG1 THR 21 HG1 THR 21 13.946 -16.314 -9.879 141 HG21 THR 21 HG21 THR 21 15.728 -14.657 -12.330 142 HG22 THR 21 HG22 THR 21 16.895 -14.577 -11.008 143 HG23 THR 21 HG23 THR 21 15.975 -13.138 -11.462 144 H GLY 22 H GLY 22 14.290 -12.639 -6.933 145 HA2 GLY 22 HA2 GLY 22 12.829 -12.870 -5.170 146 HA3 GLY 22 HA3 GLY 22 11.944 -14.061 -6.116 147 H TRP 23 H TRP 23 11.677 -15.472 -4.253 148 HA TRP 23 HA TRP 23 14.130 -17.032 -3.625 149 HB2 TRP 23 HB2 TRP 23 11.453 -17.081 -2.164 150 HB3 TRP 23 HB3 TRP 23 12.896 -17.980 -1.706 151 HD1 TRP 23 HD1 TRP 23 14.941 -15.398 -1.993 152 HE1 TRP 23 HE1 TRP 23 14.867 -13.612 -0.148 153 HE3 TRP 23 HE3 TRP 23 10.330 -16.424 -0.022 154 HZ2 TRP 23 HZ2 TRP 23 13.110 -12.759 1.888 155 HZ3 TRP 23 HZ3 TRP 23 9.528 -15.089 1.885 156 HH2 TRP 23 HH2 TRP 23 10.895 -13.288 2.825 157 H TYR 24 H TYR 24 10.604 -17.673 -3.968 158 HA TYR 24 HA TYR 24 10.760 -19.124 -6.375 159 HB2 TYR 24 HB2 TYR 24 11.887 -20.821 -4.861 160 HB3 TYR 24 HB3 TYR 24 10.387 -20.941 -3.950 161 HD1 TYR 24 HD2 TYR 24 11.454 -21.091 -7.582 162 HD2 TYR 24 HD1 TYR 24 9.085 -22.838 -4.471 163 HE1 TYR 24 HE2 TYR 24 10.724 -22.857 -9.130 164 HE2 TYR 24 HE1 TYR 24 8.357 -24.598 -6.016 165 HH TYR 24 HH TYR 24 9.847 -25.135 -9.039 166 H ARG 25 H ARG 25 8.977 -17.687 -6.721 167 HA ARG 25 HA ARG 25 6.390 -18.702 -5.670 168 HB2 ARG 25 HB2 ARG 25 6.775 -16.494 -4.723 169 HB3 ARG 25 HB3 ARG 25 7.145 -15.824 -6.307 170 HG2 ARG 25 HG2 ARG 25 4.832 -16.126 -7.025 171 HG3 ARG 25 HG3 ARG 25 4.429 -16.927 -5.505 172 HD2 ARG 25 HD2 ARG 25 5.412 -14.049 -5.667 173 HD3 ARG 25 HD3 ARG 25 3.710 -14.501 -5.697 174 HE ARG 25 HE ARG 25 3.864 -15.233 -3.466 175 HH11 ARG 25 HH11 ARG 25 6.831 -13.749 -4.481 176 HH12 ARG 25 HH12 ARG 25 7.404 -13.587 -2.864 177 HH21 ARG 25 HH21 ARG 25 4.615 -14.930 -1.422 178 HH22 ARG 25 HH22 ARG 25 6.172 -14.232 -1.172 179 H ASN 26 H ASN 26 7.263 -16.414 -8.311 180 HA ASN 26 HA ASN 26 5.784 -18.038 -10.277 181 HB2 ASN 26 HB2 ASN 26 7.056 -15.274 -10.533 182 HB3 ASN 26 HB3 ASN 26 6.146 -16.080 -11.806 183 HD21 ASN 26 HD21 ASN 26 5.925 -14.259 -8.875 184 HD22 ASN 26 HD22 ASN 26 4.206 -14.127 -8.849 185 H GLY 27 H GLY 27 8.779 -18.207 -9.034 186 HA2 GLY 27 HA2 GLY 27 10.679 -19.332 -9.710 187 HA3 GLY 27 HA3 GLY 27 10.032 -19.436 -11.339 188 H PHE 28 H PHE 28 9.682 -16.882 -12.096 189 HA PHE 28 HA PHE 28 12.039 -15.245 -11.545 190 HB2 PHE 28 HB2 PHE 28 12.552 -15.012 -13.991 191 HB3 PHE 28 HB3 PHE 28 12.834 -16.635 -13.381 192 HD1 PHE 28 HD1 PHE 28 11.383 -18.520 -14.079 193 HD2 PHE 28 HD2 PHE 28 10.753 -14.587 -15.648 194 HE1 PHE 28 HE1 PHE 28 9.958 -19.441 -15.850 195 HE2 PHE 28 HE2 PHE 28 9.329 -15.525 -17.411 196 HZ PHE 28 HZ PHE 28 8.929 -17.950 -17.518 197 H CYS 29 H CYS 29 11.772 -13.076 -12.063 198 HA CYS 29 HA CYS 29 10.936 -11.103 -12.734 199 HB2 CYS 29 HB2 CYS 29 9.212 -12.796 -14.561 200 HB3 CYS 29 HB3 CYS 29 9.323 -11.041 -14.653 201 HG CYS 29 HG CYS 29 10.890 -11.823 -16.692 202 H GLN 30 H GLN 30 9.111 -9.600 -12.673 203 HA GLN 30 HA GLN 30 6.521 -10.281 -11.733 204 HB2 GLN 30 HB2 GLN 30 6.598 -9.298 -9.448 205 HB3 GLN 30 HB3 GLN 30 7.655 -10.699 -9.583 206 HG2 GLN 30 HG2 GLN 30 9.597 -9.116 -9.893 207 HG3 GLN 30 HG3 GLN 30 8.501 -7.780 -9.551 208 HE21 GLN 30 HE21 GLN 30 7.784 -7.489 -7.409 209 HE22 GLN 30 HE22 GLN 30 8.495 -8.318 -6.076 210 H THR 31 H THR 31 8.030 -8.442 -13.687 211 HA THR 31 HA THR 31 6.243 -6.155 -13.463 212 HB THR 31 HB THR 31 8.056 -5.313 -12.048 213 HG1 THR 31 HG1 THR 31 7.002 -3.824 -13.491 214 HG21 THR 31 HG21 THR 31 9.919 -5.701 -14.422 215 HG22 THR 31 HG22 THR 31 9.966 -6.625 -12.917 216 HG23 THR 31 HG23 THR 31 10.332 -4.898 -12.907 217 H ASP 32 H ASP 32 6.128 -4.831 -15.321 218 HA ASP 32 HA ASP 32 6.795 -6.065 -17.861 219 HB2 ASP 32 HB2 ASP 32 5.305 -3.476 -17.247 220 HB3 ASP 32 HB3 ASP 32 5.432 -4.217 -18.839 221 H VAL 33 H VAL 33 8.293 -3.797 -15.806 222 HA VAL 33 HA VAL 33 10.087 -2.429 -15.915 223 HB VAL 33 HB VAL 33 10.476 -3.446 -18.764 224 HG11 VAL 33 HG11 VAL 33 12.807 -2.604 -18.611 225 HG12 VAL 33 HG12 VAL 33 12.432 -1.860 -17.056 226 HG13 VAL 33 HG13 VAL 33 11.628 -1.291 -18.520 227 HG21 VAL 33 HG21 VAL 33 10.649 -5.246 -17.101 228 HG22 VAL 33 HG22 VAL 33 11.831 -4.313 -16.180 229 HG23 VAL 33 HG23 VAL 33 12.238 -4.904 -17.794 230 H GLN 34 H GLN 34 8.695 -2.105 -19.244 231 HA GLN 34 HA GLN 34 8.681 0.774 -19.092 232 HB2 GLN 34 HB2 GLN 34 7.730 -1.156 -21.246 233 HB3 GLN 34 HB3 GLN 34 7.634 0.600 -21.398 234 HG2 GLN 34 HG2 GLN 34 10.091 0.737 -21.139 235 HG3 GLN 34 HG3 GLN 34 10.177 -1.024 -21.066 236 HE21 GLN 34 HE21 GLN 34 9.771 -2.226 -22.980 237 HE22 GLN 34 HE22 GLN 34 9.843 -1.493 -24.539 238 H ASP 35 H ASP 35 7.238 1.639 -17.829 239 HA ASP 35 HA ASP 35 4.407 0.714 -17.763 240 HB2 ASP 35 HB2 ASP 35 4.315 1.381 -15.449 241 HB3 ASP 35 HB3 ASP 35 5.728 0.356 -15.678 242 H ARG 36 H ARG 36 6.354 3.307 -18.701 243 HA ARG 36 HA ARG 36 5.977 5.373 -19.534 244 HB2 ARG 36 HB2 ARG 36 3.049 4.834 -18.964 245 HB3 ARG 36 HB3 ARG 36 3.608 6.327 -19.705 246 HG2 ARG 36 HG2 ARG 36 3.897 3.530 -20.851 247 HG3 ARG 36 HG3 ARG 36 2.763 4.773 -21.393 248 HD2 ARG 36 HD2 ARG 36 4.711 6.216 -22.020 249 HD3 ARG 36 HD3 ARG 36 5.800 4.902 -21.554 250 HE ARG 36 HE ARG 36 3.837 4.126 -23.504 251 HH11 ARG 36 HH11 ARG 36 6.979 5.531 -23.140 252 HH12 ARG 36 HH12 ARG 36 7.428 5.181 -24.767 253 HH21 ARG 36 HH21 ARG 36 4.443 3.724 -25.578 254 HH22 ARG 36 HH22 ARG 36 6.010 4.193 -26.129 255 H GLY 37 H GLY 37 4.747 4.725 -16.295 256 HA2 GLY 37 HA2 GLY 37 4.719 7.581 -15.562 257 HA3 GLY 37 HA3 GLY 37 4.172 6.232 -14.579 258 H SER 38 H SER 38 7.088 5.231 -15.689 259 HA SER 38 HA SER 38 9.226 5.061 -15.021 260 HB2 SER 38 HB2 SER 38 10.485 6.857 -14.067 261 HB3 SER 38 HB3 SER 38 9.287 7.603 -15.117 262 HG SER 38 HG SER 38 8.179 8.315 -13.371 263 H HIS 39 H HIS 39 6.703 4.780 -12.917 264 HA HIS 39 HA HIS 39 8.251 3.194 -11.040 265 HB2 HIS 39 HB2 HIS 39 7.097 4.291 -9.012 266 HB3 HIS 39 HB3 HIS 39 8.418 5.178 -9.749 267 HD1 HIS 39 HD1 HIS 39 7.919 7.459 -10.729 268 HD2 HIS 39 HD2 HIS 39 4.516 5.497 -9.370 269 HE1 HIS 39 HE1 HIS 39 6.092 9.185 -10.744 270 HE2 HIS 39 HE2 HIS 39 4.021 7.931 -10.083 271 H THR 40 H THR 40 7.255 1.353 -11.492 272 HA THR 40 HA THR 40 4.345 1.226 -11.865 273 HB THR 40 HB THR 40 5.624 0.271 -13.662 274 HG1 THR 40 HG1 THR 40 4.589 -1.945 -12.265 275 HG21 THR 40 HG21 THR 40 7.722 -0.332 -12.531 276 HG22 THR 40 HG22 THR 40 7.081 -1.704 -13.439 277 HG23 THR 40 HG23 THR 40 6.903 -1.645 -11.684 278 H VAL 41 H VAL 41 3.098 0.676 -10.186 279 HA VAL 41 HA VAL 41 3.945 -1.400 -8.258 280 HB VAL 41 HB VAL 41 2.697 1.248 -7.384 281 HG11 VAL 41 HG11 VAL 41 3.704 -1.074 -5.692 282 HG12 VAL 41 HG12 VAL 41 2.015 -0.627 -5.944 283 HG13 VAL 41 HG13 VAL 41 3.092 0.458 -5.063 284 HG21 VAL 41 HG21 VAL 41 5.587 0.376 -6.986 285 HG22 VAL 41 HG22 VAL 41 4.848 1.807 -6.268 286 HG23 VAL 41 HG23 VAL 41 5.030 1.694 -8.021 287 H CYS 42 H CYS 42 2.390 -2.926 -8.879 288 HA CYS 42 HA CYS 42 -0.465 -2.173 -8.800 289 HB2 CYS 42 HB2 CYS 42 0.828 -4.881 -9.341 290 HB3 CYS 42 HB3 CYS 42 -0.892 -4.521 -9.464 291 HG CYS 42 HG CYS 42 1.564 -3.995 -11.636 292 H ALA 43 H ALA 43 -1.129 -1.899 -6.767 293 HA ALA 43 HA ALA 43 -0.885 -4.039 -4.778 294 HB1 ALA 43 HB1 ALA 43 0.989 -2.523 -4.255 295 HB2 ALA 43 HB2 ALA 43 -0.247 -2.415 -3.001 296 HB3 ALA 43 HB3 ALA 43 -0.112 -1.146 -4.222 297 H GLU 44 H GLU 44 -2.640 -3.921 -3.189 298 HA GLU 44 HA GLU 44 -4.865 -2.150 -4.030 299 HB2 GLU 44 HB2 GLU 44 -5.024 -4.650 -4.723 300 HB3 GLU 44 HB3 GLU 44 -5.313 -4.981 -3.018 301 HG2 GLU 44 HG2 GLU 44 -7.276 -3.532 -3.043 302 HG3 GLU 44 HG3 GLU 44 -6.952 -3.104 -4.727 303 H MET 45 H MET 45 -5.424 -0.801 -2.450 304 HA MET 45 HA MET 45 -5.106 -1.559 0.384 305 HB2 MET 45 HB2 MET 45 -5.385 1.250 -0.796 306 HB3 MET 45 HB3 MET 45 -4.933 0.812 0.852 307 HG2 MET 45 HG2 MET 45 -2.827 -0.211 0.007 308 HG3 MET 45 HG3 MET 45 -3.266 0.281 -1.626 309 HE1 MET 45 HE1 MET 45 -2.434 3.233 1.792 310 HE2 MET 45 HE2 MET 45 -2.386 1.478 1.964 311 HE3 MET 45 HE3 MET 45 -3.920 2.291 1.655 312 H THR 46 H THR 46 -6.750 -0.760 1.883 313 HA THR 46 HA THR 46 -9.481 -1.105 0.826 314 HB THR 46 HB THR 46 -10.078 -1.401 3.305 315 HG1 THR 46 HG1 THR 46 -8.243 -1.854 4.664 316 HG21 THR 46 HG21 THR 46 -9.750 -3.391 1.871 317 HG22 THR 46 HG22 THR 46 -9.203 -3.669 3.526 318 HG23 THR 46 HG23 THR 46 -8.023 -3.372 2.247 319 H GLU 47 H GLU 47 -11.222 0.199 1.738 320 HA GLU 47 HA GLU 47 -10.744 2.961 1.484 321 HB2 GLU 47 HB2 GLU 47 -12.946 1.689 1.038 322 HB3 GLU 47 HB3 GLU 47 -13.256 1.829 2.764 323 HG2 GLU 47 HG2 GLU 47 -13.115 4.314 2.565 324 HG3 GLU 47 HG3 GLU 47 -12.851 4.134 0.829 325 H GLU 48 H GLU 48 -10.803 0.912 4.336 326 HA GLU 48 HA GLU 48 -11.368 2.705 6.379 327 HB2 GLU 48 HB2 GLU 48 -10.239 1.164 7.890 328 HB3 GLU 48 HB3 GLU 48 -11.115 0.249 6.664 329 HG2 GLU 48 HG2 GLU 48 -8.929 -0.013 5.423 330 HG3 GLU 48 HG3 GLU 48 -8.120 0.694 6.820 331 H PHE 49 H PHE 49 -8.081 2.087 4.949 332 HA PHE 49 HA PHE 49 -6.895 4.295 6.420 333 HB2 PHE 49 HB2 PHE 49 -5.432 2.414 5.836 334 HB3 PHE 49 HB3 PHE 49 -5.729 2.677 4.115 335 HD1 PHE 49 HD2 PHE 49 -4.331 4.399 7.161 336 HD2 PHE 49 HD1 PHE 49 -4.309 4.165 2.885 337 HE1 PHE 49 HE2 PHE 49 -2.493 6.036 7.075 338 HE2 PHE 49 HE1 PHE 49 -2.480 5.818 2.812 339 HZ PHE 49 HZ PHE 49 -1.567 6.750 4.904 340 H LEU 50 H LEU 50 -8.202 3.855 3.130 341 HA LEU 50 HA LEU 50 -7.166 6.324 2.099 342 HB2 LEU 50 HB2 LEU 50 -9.140 4.286 1.066 343 HB3 LEU 50 HB3 LEU 50 -8.977 5.822 0.242 344 HG LEU 50 HG LEU 50 -6.577 5.414 -0.170 345 HD11 LEU 50 HD11 LEU 50 -5.516 3.277 0.288 346 HD12 LEU 50 HD12 LEU 50 -6.964 2.709 1.118 347 HD13 LEU 50 HD13 LEU 50 -6.032 4.051 1.784 348 HD21 LEU 50 HD21 LEU 50 -6.776 3.623 -1.827 349 HD22 LEU 50 HD22 LEU 50 -8.171 4.696 -1.870 350 HD23 LEU 50 HD23 LEU 50 -8.307 3.111 -1.106 351 H LEU 51 H LEU 51 -9.901 5.601 4.032 352 HA LEU 51 HA LEU 51 -11.285 8.107 3.800 353 HB2 LEU 51 HB2 LEU 51 -11.357 5.915 5.903 354 HB3 LEU 51 HB3 LEU 51 -12.294 7.388 6.059 355 HG LEU 51 HG LEU 51 -12.598 5.374 3.810 356 HD11 LEU 51 HD11 LEU 51 -13.389 4.437 5.916 357 HD12 LEU 51 HD12 LEU 51 -14.739 4.775 4.834 358 HD13 LEU 51 HD13 LEU 51 -14.408 5.855 6.193 359 HD21 LEU 51 HD21 LEU 51 -14.598 6.657 3.175 360 HD22 LEU 51 HD22 LEU 51 -13.139 7.636 3.060 361 HD23 LEU 51 HD23 LEU 51 -14.239 7.854 4.425 362 H PHE 52 H PHE 52 -8.586 6.883 5.838 363 HA PHE 52 HA PHE 52 -8.290 9.213 7.458 364 HB2 PHE 52 HB2 PHE 52 -6.284 7.104 6.578 365 HB3 PHE 52 HB3 PHE 52 -5.771 8.493 7.532 366 HD1 PHE 52 HD2 PHE 52 -7.943 8.825 9.473 367 HD2 PHE 52 HD1 PHE 52 -6.105 5.230 7.996 368 HE1 PHE 52 HE2 PHE 52 -8.520 7.671 11.558 369 HE2 PHE 52 HE1 PHE 52 -6.703 4.117 10.102 370 HZ PHE 52 HZ PHE 52 -7.898 5.317 11.873 371 H SER 53 H SER 53 -6.775 8.336 4.318 372 HA SER 53 HA SER 53 -5.301 10.668 3.817 373 HB2 SER 53 HB2 SER 53 -5.113 8.664 2.401 374 HB3 SER 53 HB3 SER 53 -6.763 8.878 1.824 375 HG SER 53 HG SER 53 -5.156 11.088 1.471 376 H ARG 54 H ARG 54 -8.724 10.032 3.292 377 HA ARG 54 HA ARG 54 -9.469 12.535 2.134 378 HB2 ARG 54 HB2 ARG 54 -10.912 10.655 1.786 379 HB3 ARG 54 HB3 ARG 54 -10.949 10.268 3.500 380 HG2 ARG 54 HG2 ARG 54 -12.204 12.483 3.822 381 HG3 ARG 54 HG3 ARG 54 -12.389 12.513 2.067 382 HD2 ARG 54 HD2 ARG 54 -13.761 10.566 2.084 383 HD3 ARG 54 HD3 ARG 54 -13.267 10.132 3.729 384 HE ARG 54 HE ARG 54 -14.696 12.658 3.400 385 HH11 ARG 54 HH11 ARG 54 -14.994 9.317 4.254 386 HH12 ARG 54 HH12 ARG 54 -16.418 9.589 5.186 387 HH21 ARG 54 HH21 ARG 54 -16.460 12.975 4.611 388 HH22 ARG 54 HH22 ARG 54 -17.231 11.648 5.402 389 H ASP 55 H ASP 55 -9.814 11.293 5.509 390 HA ASP 55 HA ASP 55 -11.225 13.722 6.302 391 HB2 ASP 55 HB2 ASP 55 -12.051 11.390 6.844 392 HB3 ASP 55 HB3 ASP 55 -10.694 11.206 7.942 393 H ARG 56 H ARG 56 -8.027 12.769 6.311 394 HA ARG 56 HA ARG 56 -7.315 14.603 8.539 395 HB2 ARG 56 HB2 ARG 56 -6.494 12.218 8.729 396 HB3 ARG 56 HB3 ARG 56 -5.570 12.451 7.252 397 HG2 ARG 56 HG2 ARG 56 -4.093 12.657 9.158 398 HG3 ARG 56 HG3 ARG 56 -4.252 14.240 8.391 399 HD2 ARG 56 HD2 ARG 56 -5.886 14.904 10.143 400 HD3 ARG 56 HD3 ARG 56 -5.717 13.315 10.897 401 HE ARG 56 HE ARG 56 -3.510 15.283 10.676 402 HH11 ARG 56 HH11 ARG 56 -5.145 12.833 12.519 403 HH12 ARG 56 HH12 ARG 56 -4.059 12.984 13.852 404 HH21 ARG 56 HH21 ARG 56 -2.135 15.408 12.384 405 HH22 ARG 56 HH22 ARG 56 -2.377 14.420 13.776 406 H GLY 57 H GLY 57 -7.096 13.963 5.115 407 HA2 GLY 57 HA2 GLY 57 -5.116 16.004 4.508 408 HA3 GLY 57 HA3 GLY 57 -6.060 15.064 3.362 409 H ASN 58 H ASN 58 -7.621 16.125 2.275 410 HA ASN 58 HA ASN 58 -8.773 18.659 3.324 411 HB2 ASN 58 HB2 ASN 58 -7.691 18.194 0.507 412 HB3 ASN 58 HB3 ASN 58 -8.619 19.610 0.990 413 HD21 ASN 58 HD21 ASN 58 -7.331 19.924 3.592 414 HD22 ASN 58 HD22 ASN 58 -5.730 20.471 3.261 415 H ASP 59 H ASP 59 -9.731 15.811 3.037 416 HA ASP 59 HA ASP 59 -11.548 14.601 2.567 417 HB2 ASP 59 HB2 ASP 59 -12.876 16.432 3.470 418 HB3 ASP 59 HB3 ASP 59 -12.818 17.299 1.937 419 H LEU 60 H LEU 60 -12.863 13.666 0.842 420 HA LEU 60 HA LEU 60 -12.429 14.454 -1.913 421 HB2 LEU 60 HB2 LEU 60 -10.373 13.139 -1.395 422 HB3 LEU 60 HB3 LEU 60 -11.368 11.769 -0.929 423 HG LEU 60 HG LEU 60 -12.213 11.625 -3.298 424 HD11 LEU 60 HD11 LEU 60 -11.905 13.948 -3.986 425 HD12 LEU 60 HD12 LEU 60 -11.083 12.854 -5.094 426 HD13 LEU 60 HD13 LEU 60 -10.148 13.764 -3.903 427 HD21 LEU 60 HD21 LEU 60 -9.192 11.426 -3.020 428 HD22 LEU 60 HD22 LEU 60 -10.173 10.644 -4.264 429 HD23 LEU 60 HD23 LEU 60 -10.367 10.184 -2.575 430 H MET 61 H MET 61 -13.494 11.708 0.146 431 HA MET 61 HA MET 61 -15.653 11.077 -1.776 432 HB2 MET 61 HB2 MET 61 -14.391 9.347 0.397 433 HB3 MET 61 HB3 MET 61 -15.648 8.821 -0.717 434 HG2 MET 61 HG2 MET 61 -14.124 9.135 -2.615 435 HG3 MET 61 HG3 MET 61 -12.863 9.712 -1.528 436 HE1 MET 61 HE1 MET 61 -13.091 7.714 0.967 437 HE2 MET 61 HE2 MET 61 -11.556 8.133 0.204 438 HE3 MET 61 HE3 MET 61 -11.976 6.441 0.477 439 H THR 62 H THR 62 -17.251 12.516 -1.123 440 HA THR 62 HA THR 62 -18.646 11.944 1.438 441 HB THR 62 HB THR 62 -19.291 14.540 1.312 442 HG1 THR 62 HG1 THR 62 -16.755 15.115 0.458 443 HG21 THR 62 HG21 THR 62 -16.561 13.669 2.313 444 HG22 THR 62 HG22 THR 62 -18.079 13.557 3.208 445 HG23 THR 62 HG23 THR 62 -17.418 15.139 2.786 446 HA PRO 63 HA PRO 63 -22.474 11.868 -1.026 447 HB2 PRO 63 HB2 PRO 63 -24.257 13.303 0.573 448 HB3 PRO 63 HB3 PRO 63 -23.830 11.607 0.834 449 HG2 PRO 63 HG2 PRO 63 -22.708 14.071 2.161 450 HG3 PRO 63 HG3 PRO 63 -23.180 12.526 2.902 451 HD2 PRO 63 HD2 PRO 63 -20.595 13.088 2.426 452 HD3 PRO 63 HD3 PRO 63 -21.215 11.440 2.191 453 H ARG 64 H ARG 64 -21.493 13.135 -2.673 454 HA ARG 64 HA ARG 64 -22.514 15.904 -2.977 455 HB2 ARG 64 HB2 ARG 64 -19.787 14.796 -3.794 456 HB3 ARG 64 HB3 ARG 64 -20.412 16.350 -4.341 457 HG2 ARG 64 HG2 ARG 64 -20.437 17.170 -2.011 458 HG3 ARG 64 HG3 ARG 64 -19.821 15.611 -1.451 459 HD2 ARG 64 HD2 ARG 64 -17.746 15.942 -2.704 460 HD3 ARG 64 HD3 ARG 64 -18.369 17.451 -3.390 461 HE ARG 64 HE ARG 64 -18.485 17.791 -0.662 462 HH11 ARG 64 HH11 ARG 64 -15.918 17.051 -2.864 463 HH12 ARG 64 HH12 ARG 64 -14.747 17.919 -1.944 464 HH21 ARG 64 HH21 ARG 64 -16.948 18.892 0.494 465 HH22 ARG 64 HH22 ARG 64 -15.317 18.943 -0.075 466 HA PRO 65 HA PRO 65 -24.018 14.463 -7.061 467 HB2 PRO 65 HB2 PRO 65 -23.702 16.828 -8.511 468 HB3 PRO 65 HB3 PRO 65 -25.084 16.480 -7.464 469 HG2 PRO 65 HG2 PRO 65 -22.601 18.082 -6.855 470 HG3 PRO 65 HG3 PRO 65 -24.295 18.455 -6.461 471 HD2 PRO 65 HD2 PRO 65 -22.614 17.452 -4.604 472 HD3 PRO 65 HD3 PRO 65 -24.324 16.961 -4.637 473 H GLU 66 H GLU 66 -21.212 16.696 -7.301 474 HA GLU 66 HA GLU 66 -19.102 16.558 -8.015 475 HB2 GLU 66 HB2 GLU 66 -19.156 14.531 -6.472 476 HB3 GLU 66 HB3 GLU 66 -19.346 13.533 -7.912 477 HG2 GLU 66 HG2 GLU 66 -17.170 14.490 -8.771 478 HG3 GLU 66 HG3 GLU 66 -16.975 15.297 -7.216 479 H PHE 67 H PHE 67 -17.672 16.161 -9.840 480 HA PHE 67 HA PHE 67 -19.166 15.791 -12.357 481 HB2 PHE 67 HB2 PHE 67 -16.498 17.167 -11.824 482 HB3 PHE 67 HB3 PHE 67 -17.257 17.037 -13.408 483 HD1 PHE 67 HD1 PHE 67 -19.588 18.092 -13.729 484 HD2 PHE 67 HD2 PHE 67 -17.094 18.966 -10.357 485 HE1 PHE 67 HE1 PHE 67 -20.891 20.126 -13.285 486 HE2 PHE 67 HE2 PHE 67 -18.403 20.999 -9.929 487 HZ PHE 67 HZ PHE 67 -20.299 21.584 -11.389 488 H ASN 68 H ASN 68 -15.632 15.298 -11.838 489 HA ASN 68 HA ASN 68 -15.740 12.482 -12.542 490 HB2 ASN 68 HB2 ASN 68 -16.108 13.673 -14.746 491 HB3 ASN 68 HB3 ASN 68 -14.530 14.425 -14.574 492 HD21 ASN 68 HD21 ASN 68 -15.529 12.643 -16.671 493 HD22 ASN 68 HD22 ASN 68 -14.451 11.293 -16.707 494 H PHE 69 H PHE 69 -14.448 12.014 -10.825 495 HA PHE 69 HA PHE 69 -11.599 12.831 -10.971 496 HB2 PHE 69 HB2 PHE 69 -13.231 12.376 -8.425 497 HB3 PHE 69 HB3 PHE 69 -11.490 12.630 -8.470 498 HD1 PHE 69 HD1 PHE 69 -10.557 14.878 -8.987 499 HD2 PHE 69 HD2 PHE 69 -14.783 14.252 -8.745 500 HE1 PHE 69 HE1 PHE 69 -10.917 17.309 -8.865 501 HE2 PHE 69 HE2 PHE 69 -15.133 16.678 -8.624 502 HZ PHE 69 HZ PHE 69 -13.207 18.213 -8.685 503 HA PRO 70 HA PRO 70 -11.686 8.190 -11.184 504 HB2 PRO 70 HB2 PRO 70 -9.785 7.831 -13.042 505 HB3 PRO 70 HB3 PRO 70 -11.366 8.489 -13.496 506 HG2 PRO 70 HG2 PRO 70 -8.775 9.976 -13.004 507 HG3 PRO 70 HG3 PRO 70 -9.932 10.171 -14.337 508 HD2 PRO 70 HD2 PRO 70 -9.890 11.788 -12.071 509 HD3 PRO 70 HD3 PRO 70 -11.329 11.534 -13.084 510 H GLY 71 H GLY 71 -9.603 6.583 -11.219 511 HA2 GLY 71 HA2 GLY 71 -7.334 6.200 -10.546 512 HA3 GLY 71 HA3 GLY 71 -7.414 7.596 -9.485 513 H LEU 72 H LEU 72 -6.564 6.295 -7.797 514 HA LEU 72 HA LEU 72 -7.747 3.848 -6.873 515 HB2 LEU 72 HB2 LEU 72 -5.715 5.717 -5.574 516 HB3 LEU 72 HB3 LEU 72 -6.220 4.202 -4.856 517 HG LEU 72 HG LEU 72 -4.086 3.835 -5.862 518 HD11 LEU 72 HD11 LEU 72 -4.501 2.037 -7.437 519 HD12 LEU 72 HD12 LEU 72 -6.155 2.603 -7.686 520 HD13 LEU 72 HD13 LEU 72 -5.657 1.993 -6.106 521 HD21 LEU 72 HD21 LEU 72 -3.545 4.230 -8.223 522 HD22 LEU 72 HD22 LEU 72 -3.973 5.729 -7.399 523 HD23 LEU 72 HD23 LEU 72 -5.138 4.956 -8.478 524 H LYS 73 H LYS 73 -9.610 3.686 -5.772 525 HA LYS 73 HA LYS 73 -10.527 5.887 -4.003 526 HB2 LYS 73 HB2 LYS 73 -12.193 3.793 -5.449 527 HB3 LYS 73 HB3 LYS 73 -12.834 5.045 -4.384 528 HG2 LYS 73 HG2 LYS 73 -11.382 5.515 -7.006 529 HG3 LYS 73 HG3 LYS 73 -13.129 5.621 -6.753 530 HD2 LYS 73 HD2 LYS 73 -12.778 7.502 -5.155 531 HD3 LYS 73 HD3 LYS 73 -11.031 7.402 -5.422 532 HE2 LYS 73 HE2 LYS 73 -12.110 9.221 -6.736 533 HE3 LYS 73 HE3 LYS 73 -11.319 8.023 -7.763 534 HZ1 LYS 73 HZ1 LYS 73 -14.227 8.073 -7.158 535 HZ2 LYS 73 HZ2 LYS 73 -13.437 7.026 -8.228 536 HZ3 LYS 73 HZ3 LYS 73 -13.521 8.675 -8.570 537 H ALA 74 H ALA 74 -10.792 2.408 -4.406 538 HA ALA 74 HA ALA 74 -9.534 1.445 -2.171 539 HB1 ALA 74 HB1 ALA 74 -11.192 2.481 -0.715 540 HB2 ALA 74 HB2 ALA 74 -11.384 0.728 -0.665 541 HB3 ALA 74 HB3 ALA 74 -12.512 1.709 -1.609 542 H GLY 75 H GLY 75 -9.401 -0.804 -2.291 543 HA2 GLY 75 HA2 GLY 75 -9.541 -2.895 -3.217 544 HA3 GLY 75 HA3 GLY 75 -11.196 -2.536 -3.669 545 H ASP 76 H ASP 76 -8.599 -0.495 -4.757 546 HA ASP 76 HA ASP 76 -8.809 -1.531 -7.529 547 HB2 ASP 76 HB2 ASP 76 -7.939 1.222 -6.520 548 HB3 ASP 76 HB3 ASP 76 -8.006 0.736 -8.215 549 H ARG 77 H ARG 77 -7.093 -2.867 -7.991 550 HA ARG 77 HA ARG 77 -4.378 -2.193 -7.017 551 HB2 ARG 77 HB2 ARG 77 -5.160 -4.554 -6.798 552 HB3 ARG 77 HB3 ARG 77 -5.411 -4.629 -8.541 553 HG2 ARG 77 HG2 ARG 77 -2.881 -4.112 -8.756 554 HG3 ARG 77 HG3 ARG 77 -2.781 -4.472 -7.031 555 HD2 ARG 77 HD2 ARG 77 -2.165 -6.429 -8.370 556 HD3 ARG 77 HD3 ARG 77 -3.649 -6.746 -7.465 557 HE ARG 77 HE ARG 77 -4.803 -6.105 -9.672 558 HH11 ARG 77 HH11 ARG 77 -1.728 -7.673 -9.646 559 HH12 ARG 77 HH12 ARG 77 -2.021 -8.500 -11.130 560 HH21 ARG 77 HH21 ARG 77 -5.132 -7.132 -11.583 561 HH22 ARG 77 HH22 ARG 77 -3.925 -8.197 -12.213 562 H TRP 78 H TRP 78 -4.115 -0.302 -8.339 563 HA TRP 78 HA TRP 78 -3.284 -0.730 -11.111 564 HB2 TRP 78 HB2 TRP 78 -5.637 1.149 -10.526 565 HB3 TRP 78 HB3 TRP 78 -4.785 1.065 -12.063 566 HD1 TRP 78 HD1 TRP 78 -7.737 -0.384 -10.265 567 HE1 TRP 78 HE1 TRP 78 -8.792 -2.254 -11.672 568 HE3 TRP 78 HE3 TRP 78 -4.009 -1.019 -13.742 569 HZ2 TRP 78 HZ2 TRP 78 -8.158 -3.793 -13.942 570 HZ3 TRP 78 HZ3 TRP 78 -4.318 -2.726 -15.497 571 HH2 TRP 78 HH2 TRP 78 -6.352 -4.086 -15.594 572 H CYS 79 H CYS 79 -1.379 0.380 -11.116 573 HA CYS 79 HA CYS 79 0.269 1.921 -10.684 574 HB2 CYS 79 HB2 CYS 79 -1.082 2.937 -12.521 575 HB3 CYS 79 HB3 CYS 79 -1.992 3.853 -11.320 576 HG CYS 79 HG CYS 79 0.765 4.873 -10.460 577 H LEU 80 H LEU 80 -0.935 1.099 -8.254 578 HA LEU 80 HA LEU 80 -1.839 3.164 -6.558 579 HB2 LEU 80 HB2 LEU 80 -2.311 0.740 -6.188 580 HB3 LEU 80 HB3 LEU 80 -0.614 0.446 -5.866 581 HG LEU 80 HG LEU 80 -2.237 0.476 -3.862 582 HD11 LEU 80 HD11 LEU 80 -0.659 1.450 -2.300 583 HD12 LEU 80 HD12 LEU 80 0.178 2.280 -3.613 584 HD13 LEU 80 HD13 LEU 80 0.190 0.518 -3.532 585 HD21 LEU 80 HD21 LEU 80 -2.813 2.637 -2.865 586 HD22 LEU 80 HD22 LEU 80 -3.534 2.453 -4.462 587 HD23 LEU 80 HD23 LEU 80 -2.114 3.480 -4.252 588 H CYS 81 H CYS 81 -0.697 4.776 -5.629 589 HA CYS 81 HA CYS 81 2.102 5.111 -5.815 590 HB2 CYS 81 HB2 CYS 81 0.158 6.461 -3.896 591 HB3 CYS 81 HB3 CYS 81 1.779 7.040 -4.308 592 HG CYS 81 HG CYS 81 0.554 6.806 -7.178 593 H ALA 82 H ALA 82 3.470 3.684 -4.900 594 HA ALA 82 HA ALA 82 3.042 1.969 -2.749 595 HB1 ALA 82 HB1 ALA 82 4.810 1.630 -4.435 596 HB2 ALA 82 HB2 ALA 82 5.469 1.537 -2.800 597 HB3 ALA 82 HB3 ALA 82 5.718 2.990 -3.770 598 H SER 83 H SER 83 4.159 5.291 -2.706 599 HA SER 83 HA SER 83 5.155 5.548 -0.104 600 HB2 SER 83 HB2 SER 83 3.588 7.550 -1.778 601 HB3 SER 83 HB3 SER 83 4.503 7.962 -0.325 602 HG SER 83 HG SER 83 6.389 7.405 -1.356 603 H ARG 84 H ARG 84 1.768 5.680 -1.241 604 HA ARG 84 HA ARG 84 0.573 6.397 1.260 605 HB2 ARG 84 HB2 ARG 84 -0.646 5.126 -1.228 606 HB3 ARG 84 HB3 ARG 84 -1.585 5.737 0.133 607 HG2 ARG 84 HG2 ARG 84 0.234 7.409 -1.635 608 HG3 ARG 84 HG3 ARG 84 -1.524 7.326 -1.764 609 HD2 ARG 84 HD2 ARG 84 -1.742 8.264 0.510 610 HD3 ARG 84 HD3 ARG 84 0.016 8.340 0.658 611 HE ARG 84 HE ARG 84 -0.010 9.971 -1.181 612 HH11 ARG 84 HH11 ARG 84 -2.984 9.534 0.539 613 HH12 ARG 84 HH12 ARG 84 -3.586 11.083 0.079 614 HH21 ARG 84 HH21 ARG 84 -0.826 11.940 -1.743 615 HH22 ARG 84 HH22 ARG 84 -2.387 12.417 -1.179 616 H TRP 85 H TRP 85 1.068 3.254 -0.378 617 HA TRP 85 HA TRP 85 -0.236 1.636 1.573 618 HB2 TRP 85 HB2 TRP 85 0.063 0.478 -0.432 619 HB3 TRP 85 HB3 TRP 85 1.704 1.075 -0.667 620 HD1 TRP 85 HD1 TRP 85 3.404 -0.783 -0.419 621 HE1 TRP 85 HE1 TRP 85 3.738 -2.819 1.109 622 HE3 TRP 85 HE3 TRP 85 -0.983 -0.607 2.179 623 HZ2 TRP 85 HZ2 TRP 85 2.324 -4.208 3.088 624 HZ3 TRP 85 HZ3 TRP 85 -1.412 -2.338 3.857 625 HH2 TRP 85 HH2 TRP 85 0.203 -4.100 4.310 626 H GLN 86 H GLN 86 3.267 2.207 1.059 627 HA GLN 86 HA GLN 86 4.399 1.186 3.301 628 HB2 GLN 86 HB2 GLN 86 5.611 2.248 1.424 629 HB3 GLN 86 HB3 GLN 86 5.124 3.836 1.979 630 HG2 GLN 86 HG2 GLN 86 7.515 3.025 2.490 631 HG3 GLN 86 HG3 GLN 86 6.611 3.798 3.811 632 HE21 GLN 86 HE21 GLN 86 7.443 2.799 5.575 633 HE22 GLN 86 HE22 GLN 86 7.531 1.090 5.806 634 H GLU 87 H GLU 87 2.859 4.379 3.069 635 HA GLU 87 HA GLU 87 3.430 5.264 5.709 636 HB2 GLU 87 HB2 GLU 87 2.846 6.811 3.854 637 HB3 GLU 87 HB3 GLU 87 1.208 6.168 3.822 638 HG2 GLU 87 HG2 GLU 87 0.804 7.043 6.091 639 HG3 GLU 87 HG3 GLU 87 2.463 7.638 6.163 640 H ALA 88 H ALA 88 0.750 3.362 4.342 641 HA ALA 88 HA ALA 88 -1.041 3.570 6.557 642 HB1 ALA 88 HB1 ALA 88 -0.913 1.337 4.500 643 HB2 ALA 88 HB2 ALA 88 -1.770 2.867 4.291 644 HB3 ALA 88 HB3 ALA 88 -2.283 1.741 5.547 645 H PHE 89 H PHE 89 1.499 1.230 5.693 646 HA PHE 89 HA PHE 89 1.326 -0.516 7.881 647 HB2 PHE 89 HB2 PHE 89 2.802 -1.040 6.026 648 HB3 PHE 89 HB3 PHE 89 3.727 0.439 6.263 649 HD1 PHE 89 HD2 PHE 89 2.947 -2.874 7.817 650 HD2 PHE 89 HD1 PHE 89 5.615 0.473 7.761 651 HE1 PHE 89 HE2 PHE 89 4.501 -4.067 9.297 652 HE2 PHE 89 HE1 PHE 89 7.151 -0.735 9.248 653 HZ PHE 89 HZ PHE 89 6.598 -3.003 10.015 654 H GLU 90 H GLU 90 3.255 2.469 7.538 655 HA GLU 90 HA GLU 90 4.281 2.572 10.183 656 HB2 GLU 90 HB2 GLU 90 3.926 4.775 8.104 657 HB3 GLU 90 HB3 GLU 90 4.890 4.936 9.573 658 HG2 GLU 90 HG2 GLU 90 6.419 3.192 8.805 659 HG3 GLU 90 HG3 GLU 90 5.426 2.907 7.375 660 H ALA 91 H ALA 91 1.200 3.554 8.880 661 HA ALA 91 HA ALA 91 0.469 5.354 11.055 662 HB1 ALA 91 HB1 ALA 91 -1.661 5.593 9.864 663 HB2 ALA 91 HB2 ALA 91 -1.233 4.260 8.786 664 HB3 ALA 91 HB3 ALA 91 -0.310 5.763 8.740 665 H GLY 92 H GLY 92 0.577 2.009 10.795 666 HA2 GLY 92 HA2 GLY 92 -0.028 0.440 12.403 667 HA3 GLY 92 HA3 GLY 92 -1.085 1.616 13.165 668 H MET 93 H MET 93 -1.621 1.354 9.807 669 HA MET 93 HA MET 93 -4.124 -0.168 10.206 670 HB2 MET 93 HB2 MET 93 -3.215 1.551 7.850 671 HB3 MET 93 HB3 MET 93 -4.802 0.800 8.017 672 HG2 MET 93 HG2 MET 93 -3.664 2.930 9.845 673 HG3 MET 93 HG3 MET 93 -4.867 3.189 8.577 674 HE1 MET 93 HE1 MET 93 -7.375 2.430 8.708 675 HE2 MET 93 HE2 MET 93 -8.002 1.338 9.947 676 HE3 MET 93 HE3 MET 93 -6.827 0.750 8.770 677 H ALA 94 H ALA 94 -1.972 0.154 7.398 678 HA ALA 94 HA ALA 94 -1.271 -1.212 5.782 679 HB1 ALA 94 HB1 ALA 94 -0.761 -3.138 8.062 680 HB2 ALA 94 HB2 ALA 94 0.301 -1.818 7.562 681 HB3 ALA 94 HB3 ALA 94 0.008 -3.173 6.471 682 HA PRO 95 HA PRO 95 -5.273 -3.548 4.894 683 HB2 PRO 95 HB2 PRO 95 -4.404 -2.394 2.234 684 HB3 PRO 95 HB3 PRO 95 -6.029 -2.530 2.926 685 HG2 PRO 95 HG2 PRO 95 -4.802 -0.171 2.920 686 HG3 PRO 95 HG3 PRO 95 -5.718 -0.685 4.355 687 HD2 PRO 95 HD2 PRO 95 -2.731 -0.681 3.913 688 HD3 PRO 95 HD3 PRO 95 -3.661 -0.229 5.362 689 HA PRO 96 HA PRO 96 -3.215 -7.221 3.124 690 HB2 PRO 96 HB2 PRO 96 -5.701 -7.708 1.514 691 HB3 PRO 96 HB3 PRO 96 -4.892 -8.762 2.684 692 HG2 PRO 96 HG2 PRO 96 -7.182 -7.540 3.330 693 HG3 PRO 96 HG3 PRO 96 -5.878 -7.685 4.531 694 HD2 PRO 96 HD2 PRO 96 -6.618 -5.295 2.819 695 HD3 PRO 96 HD3 PRO 96 -6.247 -5.355 4.560 696 H VAL 97 H VAL 97 -1.593 -6.558 1.764 697 HA VAL 97 HA VAL 97 -2.176 -5.673 -0.982 698 HB VAL 97 HB VAL 97 -0.495 -4.375 0.322 699 HG11 VAL 97 HG11 VAL 97 1.179 -6.914 0.332 700 HG12 VAL 97 HG12 VAL 97 0.403 -6.173 1.737 701 HG13 VAL 97 HG13 VAL 97 1.704 -5.322 0.899 702 HG21 VAL 97 HG21 VAL 97 0.795 -5.836 -2.028 703 HG22 VAL 97 HG22 VAL 97 1.303 -4.275 -1.367 704 HG23 VAL 97 HG23 VAL 97 -0.272 -4.427 -2.150 705 H VAL 98 H VAL 98 -1.275 -6.753 -2.777 706 HA VAL 98 HA VAL 98 -1.052 -9.604 -2.695 707 HB VAL 98 HB VAL 98 -0.523 -9.401 -5.141 708 HG11 VAL 98 HG11 VAL 98 -2.904 -7.720 -4.255 709 HG12 VAL 98 HG12 VAL 98 -2.885 -9.474 -4.453 710 HG13 VAL 98 HG13 VAL 98 -2.685 -8.430 -5.860 711 HG21 VAL 98 HG21 VAL 98 0.782 -7.332 -5.118 712 HG22 VAL 98 HG22 VAL 98 -0.636 -6.404 -4.623 713 HG23 VAL 98 HG23 VAL 98 -0.586 -7.159 -6.220 714 H LEU 99 H LEU 99 0.779 -10.908 -2.690 715 HA LEU 99 HA LEU 99 3.470 -9.669 -2.864 716 HB2 LEU 99 HB2 LEU 99 2.552 -12.390 -1.842 717 HB3 LEU 99 HB3 LEU 99 4.247 -12.006 -2.095 718 HG LEU 99 HG LEU 99 2.390 -10.607 -0.140 719 HD11 LEU 99 HD11 LEU 99 4.670 -12.539 0.393 720 HD12 LEU 99 HD12 LEU 99 2.944 -12.869 0.593 721 HD13 LEU 99 HD13 LEU 99 3.732 -11.669 1.615 722 HD21 LEU 99 HD21 LEU 99 5.353 -10.160 -0.627 723 HD22 LEU 99 HD22 LEU 99 4.401 -9.445 0.677 724 HD23 LEU 99 HD23 LEU 99 4.044 -9.031 -0.998 725 H GLN 100 H GLN 100 1.247 -11.126 -4.825 726 HA GLN 100 HA GLN 100 3.128 -12.749 -6.429 727 HB2 GLN 100 HB2 GLN 100 0.706 -13.600 -7.325 728 HB3 GLN 100 HB3 GLN 100 1.528 -14.308 -5.948 729 HG2 GLN 100 HG2 GLN 100 -0.707 -14.044 -5.265 730 HG3 GLN 100 HG3 GLN 100 0.163 -12.757 -4.459 731 HE21 GLN 100 HE21 GLN 100 -2.659 -12.970 -4.936 732 HE22 GLN 100 HE22 GLN 100 -3.108 -11.601 -5.889 733 H SER 101 H SER 101 1.997 -9.742 -6.481 734 HA SER 101 HA SER 101 1.998 -9.522 -9.433 735 HB2 SER 101 HB2 SER 101 -0.324 -9.284 -8.858 736 HB3 SER 101 HB3 SER 101 0.038 -8.229 -7.504 737 HG SER 101 HG SER 101 0.897 -7.357 -9.998 738 H THR 102 H THR 102 2.196 -7.664 -6.374 739 HA THR 102 HA THR 102 3.135 -5.238 -7.013 740 HB THR 102 HB THR 102 4.174 -6.962 -4.721 741 HG1 THR 102 HG1 THR 102 2.470 -6.169 -3.618 742 HG21 THR 102 HG21 THR 102 5.670 -5.023 -4.996 743 HG22 THR 102 HG22 THR 102 4.676 -4.839 -3.551 744 HG23 THR 102 HG23 THR 102 4.277 -3.938 -5.014 745 H GLU 103 H GLU 103 4.798 -4.314 -8.023 746 HA GLU 103 HA GLU 103 6.857 -5.945 -9.243 747 HB2 GLU 103 HB2 GLU 103 6.200 -2.993 -9.591 748 HB3 GLU 103 HB3 GLU 103 7.396 -3.868 -10.534 749 HG2 GLU 103 HG2 GLU 103 5.574 -3.827 -11.955 750 HG3 GLU 103 HG3 GLU 103 5.433 -5.418 -11.223 751 H LYS 104 H LYS 104 9.059 -4.849 -9.608 752 HA LYS 104 HA LYS 104 10.594 -4.767 -7.245 753 HB2 LYS 104 HB2 LYS 104 11.292 -3.716 -10.024 754 HB3 LYS 104 HB3 LYS 104 12.459 -3.997 -8.733 755 HG2 LYS 104 HG2 LYS 104 10.789 -6.101 -10.144 756 HG3 LYS 104 HG3 LYS 104 12.522 -5.814 -10.350 757 HD2 LYS 104 HD2 LYS 104 12.843 -6.384 -7.916 758 HD3 LYS 104 HD3 LYS 104 11.123 -6.791 -7.829 759 HE2 LYS 104 HE2 LYS 104 11.501 -8.530 -9.587 760 HE3 LYS 104 HE3 LYS 104 13.227 -8.158 -9.547 761 HZ1 LYS 104 HZ1 LYS 104 11.618 -9.155 -7.261 762 HZ2 LYS 104 HZ2 LYS 104 13.273 -8.811 -7.227 763 HZ3 LYS 104 HZ3 LYS 104 12.690 -10.071 -8.192 764 H SER 105 H SER 105 9.258 -2.183 -9.219 765 HA SER 105 HA SER 105 10.714 0.008 -8.153 766 HB2 SER 105 HB2 SER 105 9.539 0.158 -10.316 767 HB3 SER 105 HB3 SER 105 7.984 0.021 -9.498 768 HG SER 105 HG SER 105 9.793 2.162 -9.560 769 H ALA 106 H ALA 106 7.806 -1.612 -7.054 770 HA ALA 106 HA ALA 106 6.920 0.229 -5.099 771 HB1 ALA 106 HB1 ALA 106 5.562 -1.661 -5.876 772 HB2 ALA 106 HB2 ALA 106 5.730 -1.688 -4.121 773 HB3 ALA 106 HB3 ALA 106 6.685 -2.794 -5.118 774 H LEU 107 H LEU 107 9.173 -2.543 -4.871 775 HA LEU 107 HA LEU 107 9.714 -2.514 -2.105 776 HB2 LEU 107 HB2 LEU 107 11.256 -3.565 -4.490 777 HB3 LEU 107 HB3 LEU 107 11.970 -3.640 -2.888 778 HG LEU 107 HG LEU 107 10.091 -5.064 -2.105 779 HD11 LEU 107 HD11 LEU 107 9.108 -5.039 -4.967 780 HD12 LEU 107 HD12 LEU 107 8.300 -4.318 -3.569 781 HD13 LEU 107 HD13 LEU 107 8.503 -6.064 -3.661 782 HD21 LEU 107 HD21 LEU 107 11.502 -6.151 -4.563 783 HD22 LEU 107 HD22 LEU 107 10.727 -7.116 -3.303 784 HD23 LEU 107 HD23 LEU 107 12.134 -6.131 -2.913 785 H ARG 108 H ARG 108 10.711 -0.251 -4.449 786 HA ARG 108 HA ARG 108 13.155 0.657 -3.211 787 HB2 ARG 108 HB2 ARG 108 11.350 1.956 -5.290 788 HB3 ARG 108 HB3 ARG 108 12.940 2.566 -4.831 789 HG2 ARG 108 HG2 ARG 108 14.008 0.547 -5.709 790 HG3 ARG 108 HG3 ARG 108 12.431 -0.161 -6.075 791 HD2 ARG 108 HD2 ARG 108 13.550 0.768 -8.082 792 HD3 ARG 108 HD3 ARG 108 12.005 1.554 -7.750 793 HE ARG 108 HE ARG 108 13.640 3.257 -6.562 794 HH11 ARG 108 HH11 ARG 108 14.118 1.744 -9.632 795 HH12 ARG 108 HH12 ARG 108 14.922 3.120 -10.293 796 HH21 ARG 108 HH21 ARG 108 14.652 5.000 -7.423 797 HH22 ARG 108 HH22 ARG 108 15.220 4.950 -9.055 798 H TYR 109 H TYR 109 9.758 1.598 -3.199 799 HA TYR 109 HA TYR 109 10.161 3.870 -1.408 800 HB2 TYR 109 HB2 TYR 109 7.697 2.678 -2.746 801 HB3 TYR 109 HB3 TYR 109 7.605 4.037 -1.630 802 HD1 TYR 109 HD1 TYR 109 9.303 3.001 -4.848 803 HD2 TYR 109 HD2 TYR 109 7.803 6.231 -2.473 804 HE1 TYR 109 HE1 TYR 109 9.731 4.566 -6.697 805 HE2 TYR 109 HE2 TYR 109 8.240 7.793 -4.313 806 HH TYR 109 HH TYR 109 9.654 7.967 -6.287 807 H VAL 110 H VAL 110 8.890 0.536 -1.213 808 HA VAL 110 HA VAL 110 8.059 0.966 1.583 809 HB VAL 110 HB VAL 110 6.947 -1.260 1.484 810 HG11 VAL 110 HG11 VAL 110 5.144 -0.648 -0.031 811 HG12 VAL 110 HG12 VAL 110 6.172 0.615 -0.737 812 HG13 VAL 110 HG13 VAL 110 5.684 0.706 0.959 813 HG21 VAL 110 HG21 VAL 110 8.266 -2.391 -0.234 814 HG22 VAL 110 HG22 VAL 110 7.682 -1.261 -1.445 815 HG23 VAL 110 HG23 VAL 110 6.557 -2.375 -0.670 816 H SER 111 H SER 111 10.211 -1.237 -0.255 817 HA SER 111 HA SER 111 11.530 -2.979 0.332 818 HB2 SER 111 HB2 SER 111 12.352 -1.832 2.316 819 HB3 SER 111 HB3 SER 111 10.945 -2.323 3.232 820 HG SER 111 HG SER 111 12.398 -3.833 3.752 821 H LEU 112 H LEU 112 11.018 -5.078 0.225 822 HA LEU 112 HA LEU 112 8.452 -6.045 0.097 823 HB2 LEU 112 HB2 LEU 112 10.091 -7.265 -1.032 824 HB3 LEU 112 HB3 LEU 112 11.119 -7.372 0.361 825 HG LEU 112 HG LEU 112 8.526 -8.921 0.400 826 HD11 LEU 112 HD11 LEU 112 9.568 -10.850 -0.697 827 HD12 LEU 112 HD12 LEU 112 11.005 -9.886 -1.055 828 HD13 LEU 112 HD13 LEU 112 9.457 -9.473 -1.796 829 HD21 LEU 112 HD21 LEU 112 9.908 -10.560 1.703 830 HD22 LEU 112 HD22 LEU 112 9.832 -8.968 2.452 831 HD23 LEU 112 HD23 LEU 112 11.289 -9.460 1.572 832 H ALA 113 H ALA 113 10.390 -5.803 3.006 833 HA ALA 113 HA ALA 113 9.132 -7.671 4.697 834 HB1 ALA 113 HB1 ALA 113 11.240 -6.499 5.236 835 HB2 ALA 113 HB2 ALA 113 10.066 -6.339 6.543 836 HB3 ALA 113 HB3 ALA 113 10.353 -4.987 5.441 837 H ASP 114 H ASP 114 8.168 -4.361 3.823 838 HA ASP 114 HA ASP 114 6.121 -4.081 5.830 839 HB2 ASP 114 HB2 ASP 114 6.642 -2.445 3.311 840 HB3 ASP 114 HB3 ASP 114 5.680 -1.944 4.704 841 H LEU 115 H LEU 115 6.285 -5.105 2.459 842 HA LEU 115 HA LEU 115 3.530 -5.290 1.822 843 HB2 LEU 115 HB2 LEU 115 5.870 -6.981 0.850 844 HB3 LEU 115 HB3 LEU 115 4.289 -6.908 0.080 845 HG LEU 115 HG LEU 115 6.124 -4.488 0.348 846 HD11 LEU 115 HD11 LEU 115 6.721 -4.778 -1.974 847 HD12 LEU 115 HD12 LEU 115 5.786 -6.279 -2.062 848 HD13 LEU 115 HD13 LEU 115 7.220 -6.185 -1.033 849 HD21 LEU 115 HD21 LEU 115 3.738 -3.975 0.033 850 HD22 LEU 115 HD22 LEU 115 3.722 -4.956 -1.434 851 HD23 LEU 115 HD23 LEU 115 4.713 -3.496 -1.353 852 H GLN 116 H GLN 116 5.857 -7.740 2.970 853 HA GLN 116 HA GLN 116 4.031 -9.907 3.183 854 HB2 GLN 116 HB2 GLN 116 6.744 -9.568 4.526 855 HB3 GLN 116 HB3 GLN 116 5.895 -11.087 4.303 856 HG2 GLN 116 HG2 GLN 116 6.060 -10.084 1.710 857 HG3 GLN 116 HG3 GLN 116 7.573 -9.568 2.425 858 HE21 GLN 116 HE21 GLN 116 7.130 -11.533 0.299 859 HE22 GLN 116 HE22 GLN 116 7.854 -13.001 0.852 860 H ALA 117 H ALA 117 5.065 -7.446 5.436 861 HA ALA 117 HA ALA 117 4.303 -8.333 7.929 862 HB1 ALA 117 HB1 ALA 117 5.332 -6.140 7.499 863 HB2 ALA 117 HB2 ALA 117 3.916 -5.992 8.543 864 HB3 ALA 117 HB3 ALA 117 3.807 -5.550 6.835 865 H HIS 118 H HIS 118 2.061 -7.121 5.415 866 HA HIS 118 HA HIS 118 -0.192 -8.341 6.882 867 HB2 HIS 118 HB2 HIS 118 0.127 -5.432 6.387 868 HB3 HIS 118 HB3 HIS 118 -1.419 -6.053 5.827 869 HD1 HIS 118 HD1 HIS 118 0.295 -4.962 8.855 870 HD2 HIS 118 HD2 HIS 118 -2.940 -7.393 7.940 871 HE1 HIS 118 HE1 HIS 118 -1.014 -5.164 10.984 872 HE2 HIS 118 HE2 HIS 118 -2.987 -6.608 10.402 873 H ALA 119 H ALA 119 1.243 -9.303 4.639 874 HA ALA 119 HA ALA 119 -0.965 -9.488 2.656 875 HB1 ALA 119 HB1 ALA 119 1.160 -8.684 1.707 876 HB2 ALA 119 HB2 ALA 119 0.730 -10.265 1.054 877 HB3 ALA 119 HB3 ALA 119 1.979 -10.132 2.297 878 H LEU 120 H LEU 120 -0.502 -11.848 1.461 879 HA LEU 120 HA LEU 120 -1.498 -13.790 3.225 880 HB2 LEU 120 HB2 LEU 120 -1.175 -15.391 1.317 881 HB3 LEU 120 HB3 LEU 120 -2.047 -13.930 0.913 882 HG LEU 120 HG LEU 120 0.306 -13.089 0.010 883 HD11 LEU 120 HD11 LEU 120 1.669 -14.965 0.796 884 HD12 LEU 120 HD12 LEU 120 1.722 -14.831 -0.959 885 HD13 LEU 120 HD13 LEU 120 0.736 -16.084 -0.200 886 HD21 LEU 120 HD21 LEU 120 -1.675 -13.375 -1.386 887 HD22 LEU 120 HD22 LEU 120 -1.350 -15.105 -1.531 888 HD23 LEU 120 HD23 LEU 120 -0.229 -13.931 -2.229 889 HA PRO 121 HA PRO 121 2.287 -15.577 5.040 890 HB2 PRO 121 HB2 PRO 121 1.250 -17.963 5.923 891 HB3 PRO 121 HB3 PRO 121 0.945 -16.423 6.735 892 HG2 PRO 121 HG2 PRO 121 -0.808 -17.897 4.767 893 HG3 PRO 121 HG3 PRO 121 -1.267 -17.133 6.304 894 HD2 PRO 121 HD2 PRO 121 -1.680 -15.912 3.907 895 HD3 PRO 121 HD3 PRO 121 -1.286 -14.985 5.373 896 H VAL 122 H VAL 122 3.953 -16.601 4.011 897 HA VAL 122 HA VAL 122 3.524 -18.850 2.188 898 HB VAL 122 HB VAL 122 3.147 -16.865 0.755 899 HG11 VAL 122 HG11 VAL 122 4.475 -15.198 1.975 900 HG12 VAL 122 HG12 VAL 122 4.935 -15.231 0.273 901 HG13 VAL 122 HG13 VAL 122 5.972 -15.998 1.477 902 HG21 VAL 122 HG21 VAL 122 5.764 -18.270 0.079 903 HG22 VAL 122 HG22 VAL 122 4.741 -17.395 -1.064 904 HG23 VAL 122 HG23 VAL 122 4.141 -18.863 -0.289 905 H LEU 123 H LEU 123 5.286 -20.170 2.016 906 HA LEU 123 HA LEU 123 7.866 -19.317 3.161 907 HB2 LEU 123 HB2 LEU 123 8.041 -21.869 3.817 908 HB3 LEU 123 HB3 LEU 123 7.272 -20.677 4.836 909 HG LEU 123 HG LEU 123 5.050 -21.492 3.596 910 HD11 LEU 123 HD11 LEU 123 6.113 -23.032 2.025 911 HD12 LEU 123 HD12 LEU 123 5.005 -23.875 3.102 912 HD13 LEU 123 HD13 LEU 123 6.746 -23.990 3.370 913 HD21 LEU 123 HD21 LEU 123 5.461 -21.559 5.999 914 HD22 LEU 123 HD22 LEU 123 6.336 -23.082 5.822 915 HD23 LEU 123 HD23 LEU 123 4.610 -23.004 5.450 916 H GLU 124 H GLU 124 8.499 -18.766 1.105 917 HA GLU 124 HA GLU 124 8.548 -20.555 -1.144 918 HB2 GLU 124 HB2 GLU 124 10.107 -17.976 -0.664 919 HB3 GLU 124 HB3 GLU 124 9.962 -18.803 -2.211 920 HG2 GLU 124 HG2 GLU 124 7.596 -18.300 -2.329 921 HG3 GLU 124 HG3 GLU 124 7.609 -17.650 -0.689 922 H HIS 125 H HIS 125 10.122 -21.972 -1.777 923 HA HIS 125 HA HIS 125 12.235 -22.671 0.068 924 HB2 HIS 125 HB2 HIS 125 11.315 -23.850 -2.573 925 HB3 HIS 125 HB3 HIS 125 12.753 -24.446 -1.746 926 HD1 HIS 125 HD1 HIS 125 12.319 -26.338 -0.214 927 HD2 HIS 125 HD2 HIS 125 8.939 -23.964 -0.691 928 HE1 HIS 125 HE1 HIS 125 10.524 -27.444 1.148 929 HE2 HIS 125 HE2 HIS 125 8.476 -26.028 0.792 930 H HIS 126 H HIS 126 14.244 -21.941 0.058 931 HA HIS 126 HA HIS 126 15.126 -19.969 -1.868 932 HB2 HIS 126 HB2 HIS 126 16.664 -21.138 0.490 933 HB3 HIS 126 HB3 HIS 126 16.996 -19.618 -0.335 934 HD1 HIS 126 HD1 HIS 126 15.834 -20.561 2.751 935 HD2 HIS 126 HD2 HIS 126 14.189 -18.082 -0.147 936 HE1 HIS 126 HE1 HIS 126 14.218 -19.085 3.972 937 HE2 HIS 126 HE2 HIS 126 13.096 -17.742 2.168 938 H HIS 127 H HIS 127 15.672 -23.355 -1.346 939 HA HIS 127 HA HIS 127 16.884 -24.997 -2.282 940 HB2 HIS 127 HB2 HIS 127 17.188 -23.134 -4.663 941 HB3 HIS 127 HB3 HIS 127 17.401 -24.881 -4.688 942 HD1 HIS 127 HD1 HIS 127 14.883 -22.241 -5.041 943 HD2 HIS 127 HD2 HIS 127 14.898 -26.339 -4.346 944 HE1 HIS 127 HE1 HIS 127 12.571 -23.017 -5.589 945 HE2 HIS 127 HE2 HIS 127 12.654 -25.518 -5.334 946 H HIS 128 H HIS 128 18.817 -22.577 -4.010 947 HA HIS 128 HA HIS 128 20.951 -21.961 -4.049 948 HB2 HIS 128 HB2 HIS 128 20.469 -20.976 -1.874 949 HB3 HIS 128 HB3 HIS 128 20.875 -22.486 -1.071 950 HD1 HIS 128 HD1 HIS 128 22.901 -20.665 -3.726 951 HD2 HIS 128 HD2 HIS 128 23.154 -21.794 0.258 952 HE1 HIS 128 HE1 HIS 128 25.215 -20.053 -3.009 953 HE2 HIS 128 HE2 HIS 128 25.418 -20.992 -0.692 954 H HIS 129 H HIS 129 21.259 -24.544 -1.574 955 HA HIS 129 HA HIS 129 22.536 -26.367 -1.323 956 HB2 HIS 129 HB2 HIS 129 21.551 -27.125 -3.511 957 HB3 HIS 129 HB3 HIS 129 22.927 -26.416 -4.350 958 HD1 HIS 129 HD1 HIS 129 25.293 -27.573 -3.864 959 HD2 HIS 129 HD2 HIS 129 21.962 -29.653 -2.508 960 HE1 HIS 129 HE1 HIS 129 26.110 -29.891 -3.364 961 HE2 HIS 129 HE2 HIS 129 24.111 -31.079 -2.411 962 H HIS 130 H HIS 130 24.599 -26.543 -0.564 963 HA HIS 130 HA HIS 130 26.642 -25.887 0.122 964 HB2 HIS 130 HB2 HIS 130 27.555 -26.704 -1.934 965 HB3 HIS 130 HB3 HIS 130 26.956 -25.323 -2.844 966 HD1 HIS 130 HD1 HIS 130 28.400 -23.246 -2.929 967 HD2 HIS 130 HD2 HIS 130 29.983 -26.171 -0.442 968 HE1 HIS 130 HE1 HIS 130 30.709 -22.458 -2.363 969 HE2 HIS 130 HE2 HIS 130 31.602 -24.178 -0.767 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -19.998 -3.604 -9.312 2 H2 MET 1 H2 MET 1 -21.438 -4.460 -9.497 3 H3 MET 1 H3 MET 1 -21.062 -3.752 -8.010 4 HA MET 1 HA MET 1 -22.723 -2.482 -9.146 5 HB2 MET 1 HB2 MET 1 -21.097 -1.317 -7.683 6 HB3 MET 1 HB3 MET 1 -20.019 -1.075 -9.052 7 HG2 MET 1 HG2 MET 1 -21.263 0.968 -8.501 8 HG3 MET 1 HG3 MET 1 -21.684 0.388 -10.116 9 HE1 MET 1 HE1 MET 1 -25.077 1.939 -8.776 10 HE2 MET 1 HE2 MET 1 -23.852 2.018 -10.042 11 HE3 MET 1 HE3 MET 1 -23.461 2.534 -8.399 12 H GLY 2 H GLY 2 -19.630 -2.251 -10.982 13 HA2 GLY 2 HA2 GLY 2 -20.718 -2.898 -13.510 14 HA3 GLY 2 HA3 GLY 2 -20.700 -1.146 -13.342 15 H GLN 3 H GLN 3 -19.039 -3.475 -14.765 16 HA GLN 3 HA GLN 3 -16.477 -2.015 -14.696 17 HB2 GLN 3 HB2 GLN 3 -16.226 -3.916 -13.112 18 HB3 GLN 3 HB3 GLN 3 -16.730 -5.045 -14.367 19 HG2 GLN 3 HG2 GLN 3 -14.710 -4.412 -15.693 20 HG3 GLN 3 HG3 GLN 3 -14.198 -3.362 -14.370 21 HE21 GLN 3 HE21 GLN 3 -12.289 -4.526 -14.058 22 HE22 GLN 3 HE22 GLN 3 -12.257 -6.103 -13.373 23 H GLY 4 H GLY 4 -16.485 -1.289 -16.771 24 HA2 GLY 4 HA2 GLY 4 -17.592 -2.737 -19.011 25 HA3 GLY 4 HA3 GLY 4 -16.740 -1.204 -19.065 26 H GLN 5 H GLN 5 -16.564 -4.439 -19.941 27 HA GLN 5 HA GLN 5 -13.697 -4.162 -20.641 28 HB2 GLN 5 HB2 GLN 5 -13.296 -6.561 -20.162 29 HB3 GLN 5 HB3 GLN 5 -13.762 -5.681 -18.714 30 HG2 GLN 5 HG2 GLN 5 -16.001 -6.634 -18.783 31 HG3 GLN 5 HG3 GLN 5 -15.671 -7.398 -20.339 32 HE21 GLN 5 HE21 GLN 5 -16.054 -9.475 -19.626 33 HE22 GLN 5 HE22 GLN 5 -15.013 -10.307 -18.525 34 H ASN 6 H ASN 6 -13.348 -4.415 -22.755 35 HA ASN 6 HA ASN 6 -14.460 -6.458 -24.399 36 HB2 ASN 6 HB2 ASN 6 -15.598 -4.968 -26.092 37 HB3 ASN 6 HB3 ASN 6 -16.447 -5.057 -24.553 38 HD21 ASN 6 HD21 ASN 6 -16.433 -3.223 -23.181 39 HD22 ASN 6 HD22 ASN 6 -16.040 -1.650 -23.776 40 H VAL 7 H VAL 7 -13.259 -6.740 -26.282 41 HA VAL 7 HA VAL 7 -11.525 -6.838 -27.621 42 HB VAL 7 HB VAL 7 -11.165 -3.842 -27.264 43 HG11 VAL 7 HG11 VAL 7 -10.171 -3.967 -29.542 44 HG12 VAL 7 HG12 VAL 7 -10.358 -5.723 -29.501 45 HG13 VAL 7 HG13 VAL 7 -9.268 -4.927 -28.365 46 HG21 VAL 7 HG21 VAL 7 -13.514 -4.314 -27.912 47 HG22 VAL 7 HG22 VAL 7 -12.959 -5.295 -29.271 48 HG23 VAL 7 HG23 VAL 7 -12.643 -3.557 -29.250 49 H LEU 8 H LEU 8 -10.561 -4.554 -25.062 50 HA LEU 8 HA LEU 8 -7.826 -5.187 -24.917 51 HB2 LEU 8 HB2 LEU 8 -7.874 -3.788 -22.905 52 HB3 LEU 8 HB3 LEU 8 -8.794 -3.077 -24.213 53 HG LEU 8 HG LEU 8 -10.794 -4.437 -22.859 54 HD11 LEU 8 HD11 LEU 8 -9.321 -5.105 -21.049 55 HD12 LEU 8 HD12 LEU 8 -10.607 -4.041 -20.479 56 HD13 LEU 8 HD13 LEU 8 -8.966 -3.414 -20.684 57 HD21 LEU 8 HD21 LEU 8 -9.962 -1.565 -22.367 58 HD22 LEU 8 HD22 LEU 8 -11.536 -2.271 -21.978 59 HD23 LEU 8 HD23 LEU 8 -11.014 -2.161 -23.658 60 H GLY 9 H GLY 9 -10.354 -7.182 -23.939 61 HA2 GLY 9 HA2 GLY 9 -9.704 -8.110 -21.383 62 HA3 GLY 9 HA3 GLY 9 -10.596 -9.013 -22.592 63 H GLN 10 H GLN 10 -8.133 -8.912 -24.409 64 HA GLN 10 HA GLN 10 -6.073 -10.383 -23.000 65 HB2 GLN 10 HB2 GLN 10 -6.136 -12.416 -24.305 66 HB3 GLN 10 HB3 GLN 10 -7.740 -12.187 -23.638 67 HG2 GLN 10 HG2 GLN 10 -7.108 -11.337 -26.475 68 HG3 GLN 10 HG3 GLN 10 -7.490 -13.006 -26.089 69 HE21 GLN 10 HE21 GLN 10 -9.297 -12.908 -27.445 70 HE22 GLN 10 HE22 GLN 10 -10.744 -12.090 -26.984 71 H ASP 11 H ASP 11 -4.254 -10.924 -24.519 72 HA ASP 11 HA ASP 11 -3.987 -9.324 -26.925 73 HB2 ASP 11 HB2 ASP 11 -3.600 -7.635 -25.165 74 HB3 ASP 11 HB3 ASP 11 -2.371 -8.654 -24.418 75 H LEU 12 H LEU 12 -2.290 -9.971 -28.227 76 HA LEU 12 HA LEU 12 -0.140 -11.656 -27.155 77 HB2 LEU 12 HB2 LEU 12 -2.013 -13.124 -28.145 78 HB3 LEU 12 HB3 LEU 12 -1.596 -12.450 -29.712 79 HG LEU 12 HG LEU 12 0.687 -13.420 -29.535 80 HD11 LEU 12 HD11 LEU 12 1.277 -14.998 -27.744 81 HD12 LEU 12 HD12 LEU 12 -0.231 -14.622 -26.905 82 HD13 LEU 12 HD13 LEU 12 0.998 -13.374 -27.119 83 HD21 LEU 12 HD21 LEU 12 -1.053 -14.730 -30.645 84 HD22 LEU 12 HD22 LEU 12 -1.501 -15.481 -29.110 85 HD23 LEU 12 HD23 LEU 12 0.089 -15.787 -29.816 86 H GLU 13 H GLU 13 -0.791 -8.858 -28.441 87 HA GLU 13 HA GLU 13 1.056 -8.739 -30.681 88 HB2 GLU 13 HB2 GLU 13 -0.258 -6.462 -29.121 89 HB3 GLU 13 HB3 GLU 13 0.596 -6.309 -30.656 90 HG2 GLU 13 HG2 GLU 13 -2.027 -7.768 -30.175 91 HG3 GLU 13 HG3 GLU 13 -1.811 -6.238 -31.019 92 H VAL 14 H VAL 14 1.004 -7.431 -27.344 93 HA VAL 14 HA VAL 14 3.963 -7.331 -27.381 94 HB VAL 14 HB VAL 14 3.149 -5.084 -27.351 95 HG11 VAL 14 HG11 VAL 14 1.516 -5.716 -24.865 96 HG12 VAL 14 HG12 VAL 14 0.868 -5.407 -26.477 97 HG13 VAL 14 HG13 VAL 14 1.708 -4.122 -25.604 98 HG21 VAL 14 HG21 VAL 14 4.263 -4.233 -25.330 99 HG22 VAL 14 HG22 VAL 14 5.175 -5.566 -26.034 100 HG23 VAL 14 HG23 VAL 14 4.191 -5.833 -24.592 101 H CYS 15 H CYS 15 1.375 -7.446 -24.807 102 HA CYS 15 HA CYS 15 1.413 -8.293 -22.699 103 HB2 CYS 15 HB2 CYS 15 2.246 -10.683 -24.342 104 HB3 CYS 15 HB3 CYS 15 1.893 -10.817 -22.623 105 HG CYS 15 HG CYS 15 -0.282 -9.851 -25.071 106 H CYS 16 H CYS 16 3.481 -6.702 -22.739 107 HA CYS 16 HA CYS 16 5.987 -7.928 -21.947 108 HB2 CYS 16 HB2 CYS 16 6.027 -5.740 -23.037 109 HB3 CYS 16 HB3 CYS 16 4.997 -5.052 -21.786 110 HG CYS 16 HG CYS 16 8.296 -5.454 -21.855 111 H CYS 17 H CYS 17 6.601 -8.508 -19.929 112 HA CYS 17 HA CYS 17 6.731 -8.860 -17.712 113 HB2 CYS 17 HB2 CYS 17 6.771 -6.442 -17.398 114 HB3 CYS 17 HB3 CYS 17 5.012 -6.377 -17.422 115 HG CYS 17 HG CYS 17 4.744 -6.597 -14.880 116 H ALA 18 H ALA 18 3.345 -7.774 -18.140 117 HA ALA 18 HA ALA 18 2.347 -10.291 -16.918 118 HB1 ALA 18 HB1 ALA 18 1.886 -8.269 -15.554 119 HB2 ALA 18 HB2 ALA 18 0.391 -8.961 -16.179 120 HB3 ALA 18 HB3 ALA 18 1.072 -7.514 -16.928 121 HA PRO 19 HA PRO 19 -0.178 -10.780 -20.759 122 HB2 PRO 19 HB2 PRO 19 -2.354 -11.965 -19.101 123 HB3 PRO 19 HB3 PRO 19 -1.405 -12.703 -20.396 124 HG2 PRO 19 HG2 PRO 19 -1.060 -13.426 -17.817 125 HG3 PRO 19 HG3 PRO 19 0.306 -13.369 -18.954 126 HD2 PRO 19 HD2 PRO 19 -0.510 -11.324 -16.873 127 HD3 PRO 19 HD3 PRO 19 1.109 -11.967 -17.247 128 H MET 20 H MET 20 -2.351 -10.144 -21.593 129 HA MET 20 HA MET 20 -4.126 -8.788 -21.944 130 HB2 MET 20 HB2 MET 20 -4.174 -8.502 -18.915 131 HB3 MET 20 HB3 MET 20 -5.460 -7.955 -19.982 132 HG2 MET 20 HG2 MET 20 -5.953 -10.245 -20.628 133 HG3 MET 20 HG3 MET 20 -4.560 -10.835 -19.720 134 HE1 MET 20 HE1 MET 20 -8.101 -9.102 -19.439 135 HE2 MET 20 HE2 MET 20 -7.073 -7.996 -18.525 136 HE3 MET 20 HE3 MET 20 -8.283 -8.970 -17.690 137 H THR 21 H THR 21 -1.239 -7.579 -21.468 138 HA THR 21 HA THR 21 -1.820 -4.800 -20.822 139 HB THR 21 HB THR 21 0.533 -4.309 -21.293 140 HG1 THR 21 HG1 THR 21 0.398 -6.471 -22.904 141 HG21 THR 21 HG21 THR 21 0.319 -6.970 -19.836 142 HG22 THR 21 HG22 THR 21 0.059 -5.378 -19.111 143 HG23 THR 21 HG23 THR 21 1.659 -5.825 -19.711 144 H GLY 22 H GLY 22 -2.853 -3.500 -22.241 145 HA2 GLY 22 HA2 GLY 22 -2.950 -3.988 -25.097 146 HA3 GLY 22 HA3 GLY 22 -3.720 -2.673 -24.222 147 H TRP 23 H TRP 23 -2.782 -0.670 -24.243 148 HA TRP 23 HA TRP 23 0.030 -0.288 -24.928 149 HB2 TRP 23 HB2 TRP 23 -0.405 1.237 -26.813 150 HB3 TRP 23 HB3 TRP 23 -1.063 -0.358 -27.158 151 HD1 TRP 23 HD1 TRP 23 -3.814 -0.576 -27.127 152 HE1 TRP 23 HE1 TRP 23 -5.635 1.183 -27.549 153 HE3 TRP 23 HE3 TRP 23 -1.016 3.679 -26.534 154 HZ2 TRP 23 HZ2 TRP 23 -5.879 3.990 -27.624 155 HZ3 TRP 23 HZ3 TRP 23 -2.122 5.867 -26.801 156 HH2 TRP 23 HH2 TRP 23 -4.508 6.019 -27.337 157 H TYR 24 H TYR 24 0.658 2.041 -24.798 158 HA TYR 24 HA TYR 24 -1.084 4.036 -23.706 159 HB2 TYR 24 HB2 TYR 24 -0.675 2.755 -21.619 160 HB3 TYR 24 HB3 TYR 24 1.058 2.901 -21.848 161 HD1 TYR 24 HD2 TYR 24 -2.041 4.879 -21.160 162 HD2 TYR 24 HD1 TYR 24 2.235 4.810 -20.978 163 HE1 TYR 24 HE2 TYR 24 -2.060 6.939 -19.825 164 HE2 TYR 24 HE1 TYR 24 2.212 6.866 -19.640 165 HH TYR 24 HH TYR 24 0.767 8.774 -19.212 166 H ARG 25 H ARG 25 2.410 3.137 -23.725 167 HA ARG 25 HA ARG 25 3.034 5.711 -25.082 168 HB2 ARG 25 HB2 ARG 25 3.913 5.571 -22.749 169 HB3 ARG 25 HB3 ARG 25 4.829 4.132 -23.191 170 HG2 ARG 25 HG2 ARG 25 6.123 5.496 -24.841 171 HG3 ARG 25 HG3 ARG 25 5.234 6.934 -24.322 172 HD2 ARG 25 HD2 ARG 25 6.128 6.586 -22.015 173 HD3 ARG 25 HD3 ARG 25 7.074 5.219 -22.616 174 HE ARG 25 HE ARG 25 7.444 8.012 -23.540 175 HH11 ARG 25 HH11 ARG 25 8.820 4.954 -22.670 176 HH12 ARG 25 HH12 ARG 25 10.439 5.525 -22.849 177 HH21 ARG 25 HH21 ARG 25 9.526 8.699 -23.754 178 HH22 ARG 25 HH22 ARG 25 10.832 7.608 -23.442 179 H ASN 26 H ASN 26 4.844 2.626 -24.598 180 HA ASN 26 HA ASN 26 5.521 2.628 -27.497 181 HB2 ASN 26 HB2 ASN 26 7.393 3.507 -26.062 182 HB3 ASN 26 HB3 ASN 26 7.413 1.989 -25.182 183 HD21 ASN 26 HD21 ASN 26 8.201 0.108 -26.265 184 HD22 ASN 26 HD22 ASN 26 9.201 0.242 -27.664 185 H GLY 27 H GLY 27 4.005 1.014 -27.994 186 HA2 GLY 27 HA2 GLY 27 3.398 -1.166 -28.482 187 HA3 GLY 27 HA3 GLY 27 4.808 -1.724 -27.595 188 H PHE 28 H PHE 28 4.645 -1.758 -25.218 189 HA PHE 28 HA PHE 28 2.197 -2.882 -24.219 190 HB2 PHE 28 HB2 PHE 28 3.435 -2.984 -22.019 191 HB3 PHE 28 HB3 PHE 28 4.298 -3.735 -23.349 192 HD1 PHE 28 HD2 PHE 28 4.304 -0.892 -20.976 193 HD2 PHE 28 HD1 PHE 28 6.417 -2.780 -24.182 194 HE1 PHE 28 HE2 PHE 28 6.283 0.475 -20.480 195 HE2 PHE 28 HE1 PHE 28 8.394 -1.410 -23.677 196 HZ PHE 28 HZ PHE 28 8.330 0.218 -21.828 197 H CYS 29 H CYS 29 1.573 -2.024 -21.826 198 HA CYS 29 HA CYS 29 0.580 0.657 -22.017 199 HB2 CYS 29 HB2 CYS 29 0.619 -1.225 -19.624 200 HB3 CYS 29 HB3 CYS 29 -0.324 0.259 -19.742 201 HG CYS 29 HG CYS 29 -2.173 -0.607 -21.444 202 H GLN 30 H GLN 30 2.261 -0.335 -19.033 203 HA GLN 30 HA GLN 30 4.518 1.454 -19.355 204 HB2 GLN 30 HB2 GLN 30 3.895 2.986 -17.499 205 HB3 GLN 30 HB3 GLN 30 2.782 3.099 -18.855 206 HG2 GLN 30 HG2 GLN 30 1.156 1.688 -17.629 207 HG3 GLN 30 HG3 GLN 30 2.259 1.630 -16.251 208 HE21 GLN 30 HE21 GLN 30 0.798 2.668 -14.868 209 HE22 GLN 30 HE22 GLN 30 0.383 4.333 -15.023 210 H THR 31 H THR 31 3.995 -1.331 -18.712 211 HA THR 31 HA THR 31 4.366 -1.722 -15.828 212 HB THR 31 HB THR 31 2.656 -3.051 -16.922 213 HG1 THR 31 HG1 THR 31 4.614 -4.138 -15.488 214 HG21 THR 31 HG21 THR 31 4.840 -4.210 -18.688 215 HG22 THR 31 HG22 THR 31 3.566 -3.105 -19.214 216 HG23 THR 31 HG23 THR 31 3.153 -4.727 -18.653 217 H ASP 32 H ASP 32 6.567 -1.033 -18.104 218 HA ASP 32 HA ASP 32 8.603 -2.995 -17.251 219 HB2 ASP 32 HB2 ASP 32 8.322 -2.752 -19.681 220 HB3 ASP 32 HB3 ASP 32 8.582 -1.015 -19.565 221 H VAL 33 H VAL 33 9.001 0.429 -18.205 222 HA VAL 33 HA VAL 33 9.663 1.275 -15.476 223 HB VAL 33 HB VAL 33 11.887 0.630 -16.393 224 HG11 VAL 33 HG11 VAL 33 11.498 0.880 -18.800 225 HG12 VAL 33 HG12 VAL 33 12.902 1.839 -18.329 226 HG13 VAL 33 HG13 VAL 33 11.348 2.631 -18.629 227 HG21 VAL 33 HG21 VAL 33 11.578 3.656 -16.152 228 HG22 VAL 33 HG22 VAL 33 13.101 2.774 -16.011 229 HG23 VAL 33 HG23 VAL 33 11.826 2.524 -14.818 230 H GLN 34 H GLN 34 9.115 2.032 -18.854 231 HA GLN 34 HA GLN 34 8.386 3.723 -20.071 232 HB2 GLN 34 HB2 GLN 34 6.377 3.569 -18.577 233 HB3 GLN 34 HB3 GLN 34 7.086 4.815 -17.552 234 HG2 GLN 34 HG2 GLN 34 7.084 6.379 -19.466 235 HG3 GLN 34 HG3 GLN 34 6.350 5.132 -20.462 236 HE21 GLN 34 HE21 GLN 34 5.350 7.775 -19.891 237 HE22 GLN 34 HE22 GLN 34 3.800 7.561 -19.166 238 H ASP 35 H ASP 35 8.915 5.605 -17.056 239 HA ASP 35 HA ASP 35 11.254 6.990 -18.224 240 HB2 ASP 35 HB2 ASP 35 8.747 8.373 -17.158 241 HB3 ASP 35 HB3 ASP 35 10.276 9.209 -17.398 242 H ARG 36 H ARG 36 11.894 8.759 -16.329 243 HA ARG 36 HA ARG 36 12.694 7.115 -14.054 244 HB2 ARG 36 HB2 ARG 36 14.197 8.986 -13.499 245 HB3 ARG 36 HB3 ARG 36 14.345 8.550 -15.198 246 HG2 ARG 36 HG2 ARG 36 12.904 10.497 -15.798 247 HG3 ARG 36 HG3 ARG 36 12.826 10.943 -14.091 248 HD2 ARG 36 HD2 ARG 36 15.315 10.864 -15.834 249 HD3 ARG 36 HD3 ARG 36 14.499 12.313 -15.239 250 HE ARG 36 HE ARG 36 16.103 10.414 -13.650 251 HH11 ARG 36 HH11 ARG 36 14.466 13.469 -13.767 252 HH12 ARG 36 HH12 ARG 36 15.230 14.032 -12.329 253 HH21 ARG 36 HH21 ARG 36 17.033 11.168 -11.825 254 HH22 ARG 36 HH22 ARG 36 16.673 12.756 -11.251 255 H GLY 37 H GLY 37 9.871 7.677 -14.037 256 HA2 GLY 37 HA2 GLY 37 9.406 9.783 -12.023 257 HA3 GLY 37 HA3 GLY 37 8.186 8.978 -12.999 258 H SER 38 H SER 38 6.830 7.922 -11.690 259 HA SER 38 HA SER 38 7.579 7.057 -9.026 260 HB2 SER 38 HB2 SER 38 5.393 8.149 -9.487 261 HB3 SER 38 HB3 SER 38 4.919 6.779 -10.487 262 HG SER 38 HG SER 38 5.176 5.472 -8.552 263 H HIS 39 H HIS 39 7.619 5.538 -12.054 264 HA HIS 39 HA HIS 39 7.981 3.462 -12.823 265 HB2 HIS 39 HB2 HIS 39 8.791 2.917 -9.934 266 HB3 HIS 39 HB3 HIS 39 9.082 1.796 -11.267 267 HD1 HIS 39 HD1 HIS 39 10.436 4.832 -9.660 268 HD2 HIS 39 HD2 HIS 39 10.955 2.775 -13.224 269 HE1 HIS 39 HE1 HIS 39 12.562 5.724 -10.637 270 HE2 HIS 39 HE2 HIS 39 12.955 4.312 -12.680 271 H THR 40 H THR 40 7.509 0.866 -11.582 272 HA THR 40 HA THR 40 4.622 0.824 -12.125 273 HB THR 40 HB THR 40 4.874 -1.473 -12.795 274 HG1 THR 40 HG1 THR 40 6.209 -2.338 -11.246 275 HG21 THR 40 HG21 THR 40 5.785 0.138 -14.438 276 HG22 THR 40 HG22 THR 40 6.648 -1.401 -14.496 277 HG23 THR 40 HG23 THR 40 7.379 -0.014 -13.690 278 H VAL 41 H VAL 41 3.531 1.161 -10.231 279 HA VAL 41 HA VAL 41 3.850 -0.888 -8.107 280 HB VAL 41 HB VAL 41 2.919 1.977 -7.589 281 HG11 VAL 41 HG11 VAL 41 1.957 0.290 -6.053 282 HG12 VAL 41 HG12 VAL 41 3.077 1.349 -5.201 283 HG13 VAL 41 HG13 VAL 41 3.580 -0.280 -5.647 284 HG21 VAL 41 HG21 VAL 41 5.647 0.776 -6.959 285 HG22 VAL 41 HG22 VAL 41 5.082 2.357 -6.418 286 HG23 VAL 41 HG23 VAL 41 5.319 2.046 -8.140 287 H CYS 42 H CYS 42 2.182 -2.229 -8.796 288 HA CYS 42 HA CYS 42 -0.567 -1.075 -8.758 289 HB2 CYS 42 HB2 CYS 42 0.327 -3.775 -9.860 290 HB3 CYS 42 HB3 CYS 42 -1.288 -3.071 -9.980 291 HG CYS 42 HG CYS 42 1.464 -2.474 -11.792 292 H ALA 43 H ALA 43 -1.297 -1.172 -6.738 293 HA ALA 43 HA ALA 43 -1.160 -3.651 -5.147 294 HB1 ALA 43 HB1 ALA 43 -0.525 -2.383 -3.115 295 HB2 ALA 43 HB2 ALA 43 -0.396 -0.902 -4.068 296 HB3 ALA 43 HB3 ALA 43 0.720 -2.238 -4.358 297 H GLU 44 H GLU 44 -2.897 -3.749 -3.538 298 HA GLU 44 HA GLU 44 -5.194 -2.047 -4.338 299 HB2 GLU 44 HB2 GLU 44 -5.053 -4.608 -5.024 300 HB3 GLU 44 HB3 GLU 44 -5.580 -4.887 -3.367 301 HG2 GLU 44 HG2 GLU 44 -7.568 -3.516 -3.758 302 HG3 GLU 44 HG3 GLU 44 -7.012 -3.160 -5.395 303 H MET 45 H MET 45 -5.538 -0.665 -2.725 304 HA MET 45 HA MET 45 -5.295 -1.453 0.095 305 HB2 MET 45 HB2 MET 45 -5.916 1.307 -1.090 306 HB3 MET 45 HB3 MET 45 -5.502 0.943 0.589 307 HG2 MET 45 HG2 MET 45 -3.660 0.680 -1.805 308 HG3 MET 45 HG3 MET 45 -3.554 1.878 -0.516 309 HE1 MET 45 HE1 MET 45 -2.788 1.259 2.027 310 HE2 MET 45 HE2 MET 45 -2.533 -0.407 2.547 311 HE3 MET 45 HE3 MET 45 -4.142 0.127 2.069 312 H THR 46 H THR 46 -6.985 -1.106 1.597 313 HA THR 46 HA THR 46 -9.707 -1.518 0.591 314 HB THR 46 HB THR 46 -10.255 -1.954 2.995 315 HG1 THR 46 HG1 THR 46 -8.402 -2.028 4.445 316 HG21 THR 46 HG21 THR 46 -9.472 -3.864 1.627 317 HG22 THR 46 HG22 THR 46 -8.936 -4.013 3.302 318 HG23 THR 46 HG23 THR 46 -7.799 -3.490 2.058 319 H GLU 47 H GLU 47 -11.516 -0.286 1.472 320 HA GLU 47 HA GLU 47 -11.161 2.498 1.196 321 HB2 GLU 47 HB2 GLU 47 -13.272 1.202 0.649 322 HB3 GLU 47 HB3 GLU 47 -13.621 1.155 2.375 323 HG2 GLU 47 HG2 GLU 47 -13.680 3.639 2.434 324 HG3 GLU 47 HG3 GLU 47 -13.318 3.681 0.708 325 H GLU 48 H GLU 48 -11.294 0.471 4.091 326 HA GLU 48 HA GLU 48 -11.589 2.367 6.112 327 HB2 GLU 48 HB2 GLU 48 -10.739 0.754 7.604 328 HB3 GLU 48 HB3 GLU 48 -11.304 -0.232 6.263 329 HG2 GLU 48 HG2 GLU 48 -8.916 -0.279 5.419 330 HG3 GLU 48 HG3 GLU 48 -8.437 0.486 6.928 331 H PHE 49 H PHE 49 -8.664 1.543 4.247 332 HA PHE 49 HA PHE 49 -6.953 3.486 5.495 333 HB2 PHE 49 HB2 PHE 49 -5.921 1.524 4.487 334 HB3 PHE 49 HB3 PHE 49 -6.614 1.907 2.914 335 HD1 PHE 49 HD2 PHE 49 -4.363 3.366 5.533 336 HD2 PHE 49 HD1 PHE 49 -5.307 3.166 1.369 337 HE1 PHE 49 HE2 PHE 49 -2.444 4.791 5.030 338 HE2 PHE 49 HE1 PHE 49 -3.379 4.607 0.878 339 HZ PHE 49 HZ PHE 49 -1.953 5.415 2.713 340 H LEU 50 H LEU 50 -8.821 3.387 2.422 341 HA LEU 50 HA LEU 50 -7.663 5.767 1.384 342 HB2 LEU 50 HB2 LEU 50 -10.096 4.187 0.569 343 HB3 LEU 50 HB3 LEU 50 -9.813 5.763 -0.128 344 HG LEU 50 HG LEU 50 -7.487 4.942 -0.801 345 HD11 LEU 50 HD11 LEU 50 -7.189 2.552 -1.082 346 HD12 LEU 50 HD12 LEU 50 -8.716 2.242 -0.251 347 HD13 LEU 50 HD13 LEU 50 -7.367 2.981 0.618 348 HD21 LEU 50 HD21 LEU 50 -9.264 5.307 -2.426 349 HD22 LEU 50 HD22 LEU 50 -9.896 3.683 -2.131 350 HD23 LEU 50 HD23 LEU 50 -8.295 3.894 -2.848 351 H LEU 51 H LEU 51 -10.679 5.318 3.223 352 HA LEU 51 HA LEU 51 -11.474 8.042 3.221 353 HB2 LEU 51 HB2 LEU 51 -12.085 5.807 5.183 354 HB3 LEU 51 HB3 LEU 51 -12.859 7.382 5.229 355 HG LEU 51 HG LEU 51 -13.070 5.360 2.967 356 HD11 LEU 51 HD11 LEU 51 -14.354 4.703 4.941 357 HD12 LEU 51 HD12 LEU 51 -15.416 5.145 3.608 358 HD13 LEU 51 HD13 LEU 51 -15.176 6.268 4.952 359 HD21 LEU 51 HD21 LEU 51 -14.381 8.095 3.191 360 HD22 LEU 51 HD22 LEU 51 -14.692 6.897 1.931 361 HD23 LEU 51 HD23 LEU 51 -13.101 7.639 2.059 362 H PHE 52 H PHE 52 -9.219 6.233 5.259 363 HA PHE 52 HA PHE 52 -8.638 8.267 7.168 364 HB2 PHE 52 HB2 PHE 52 -8.039 5.938 7.586 365 HB3 PHE 52 HB3 PHE 52 -7.002 5.899 6.171 366 HD1 PHE 52 HD1 PHE 52 -7.347 7.449 9.563 367 HD2 PHE 52 HD2 PHE 52 -4.681 6.462 6.359 368 HE1 PHE 52 HE1 PHE 52 -5.422 8.043 10.971 369 HE2 PHE 52 HE2 PHE 52 -2.761 7.063 7.774 370 HZ PHE 52 HZ PHE 52 -3.128 7.853 10.083 371 H SER 53 H SER 53 -7.134 7.466 4.005 372 HA SER 53 HA SER 53 -5.071 9.474 4.136 373 HB2 SER 53 HB2 SER 53 -4.554 8.861 1.805 374 HB3 SER 53 HB3 SER 53 -4.784 7.409 2.774 375 HG SER 53 HG SER 53 -6.813 7.164 1.873 376 H ARG 54 H ARG 54 -8.317 9.363 2.835 377 HA ARG 54 HA ARG 54 -8.326 11.811 1.376 378 HB2 ARG 54 HB2 ARG 54 -10.393 9.880 2.384 379 HB3 ARG 54 HB3 ARG 54 -10.957 11.500 2.013 380 HG2 ARG 54 HG2 ARG 54 -11.207 9.794 0.158 381 HG3 ARG 54 HG3 ARG 54 -10.423 11.305 -0.281 382 HD2 ARG 54 HD2 ARG 54 -8.240 10.228 -0.269 383 HD3 ARG 54 HD3 ARG 54 -8.944 8.727 0.323 384 HE ARG 54 HE ARG 54 -10.168 9.496 -2.109 385 HH11 ARG 54 HH11 ARG 54 -7.195 8.118 -0.954 386 HH12 ARG 54 HH12 ARG 54 -6.928 7.247 -2.420 387 HH21 ARG 54 HH21 ARG 54 -9.803 8.349 -3.936 388 HH22 ARG 54 HH22 ARG 54 -8.389 7.374 -4.093 389 H ASP 55 H ASP 55 -9.362 10.965 4.680 390 HA ASP 55 HA ASP 55 -9.976 13.609 5.569 391 HB2 ASP 55 HB2 ASP 55 -10.933 11.582 6.608 392 HB3 ASP 55 HB3 ASP 55 -9.333 11.064 7.126 393 H ARG 56 H ARG 56 -7.027 11.725 5.453 394 HA ARG 56 HA ARG 56 -5.277 13.110 7.157 395 HB2 ARG 56 HB2 ARG 56 -4.835 10.927 5.963 396 HB3 ARG 56 HB3 ARG 56 -4.648 11.814 4.464 397 HG2 ARG 56 HG2 ARG 56 -2.463 11.297 5.222 398 HG3 ARG 56 HG3 ARG 56 -2.691 13.021 5.522 399 HD2 ARG 56 HD2 ARG 56 -2.979 12.658 7.876 400 HD3 ARG 56 HD3 ARG 56 -3.139 10.911 7.656 401 HE ARG 56 HE ARG 56 -0.605 11.961 6.771 402 HH11 ARG 56 HH11 ARG 56 -2.299 10.844 9.579 403 HH12 ARG 56 HH12 ARG 56 -0.852 10.303 10.354 404 HH21 ARG 56 HH21 ARG 56 1.205 11.243 7.773 405 HH22 ARG 56 HH22 ARG 56 1.106 10.529 9.341 406 H GLY 57 H GLY 57 -6.043 13.656 3.707 407 HA2 GLY 57 HA2 GLY 57 -4.535 16.147 3.532 408 HA3 GLY 57 HA3 GLY 57 -5.530 15.421 2.281 409 H ASN 58 H ASN 58 -7.949 15.528 2.646 410 HA ASN 58 HA ASN 58 -9.058 17.498 4.414 411 HB2 ASN 58 HB2 ASN 58 -8.038 18.985 2.677 412 HB3 ASN 58 HB3 ASN 58 -9.010 18.189 1.445 413 HD21 ASN 58 HD21 ASN 58 -10.060 20.113 0.871 414 HD22 ASN 58 HD22 ASN 58 -11.219 20.873 1.897 415 H ASP 59 H ASP 59 -10.038 16.457 1.095 416 HA ASP 59 HA ASP 59 -12.053 14.634 2.210 417 HB2 ASP 59 HB2 ASP 59 -13.866 15.520 0.745 418 HB3 ASP 59 HB3 ASP 59 -13.342 16.684 1.949 419 H LEU 60 H LEU 60 -10.822 15.929 -0.901 420 HA LEU 60 HA LEU 60 -9.805 15.050 -2.670 421 HB2 LEU 60 HB2 LEU 60 -9.395 12.619 -0.923 422 HB3 LEU 60 HB3 LEU 60 -8.609 12.857 -2.478 423 HG LEU 60 HG LEU 60 -8.212 14.563 0.022 424 HD11 LEU 60 HD11 LEU 60 -5.926 13.672 0.035 425 HD12 LEU 60 HD12 LEU 60 -6.302 12.648 -1.354 426 HD13 LEU 60 HD13 LEU 60 -7.121 12.383 0.189 427 HD21 LEU 60 HD21 LEU 60 -8.062 15.986 -1.961 428 HD22 LEU 60 HD22 LEU 60 -6.915 14.875 -2.712 429 HD23 LEU 60 HD23 LEU 60 -6.463 15.762 -1.254 430 H MET 61 H MET 61 -12.610 13.262 -1.591 431 HA MET 61 HA MET 61 -13.368 12.787 -4.318 432 HB2 MET 61 HB2 MET 61 -13.633 10.356 -4.260 433 HB3 MET 61 HB3 MET 61 -11.958 10.794 -3.984 434 HG2 MET 61 HG2 MET 61 -12.293 10.382 -1.554 435 HG3 MET 61 HG3 MET 61 -13.935 9.840 -1.901 436 HE1 MET 61 HE1 MET 61 -12.171 6.413 -1.140 437 HE2 MET 61 HE2 MET 61 -13.548 7.451 -0.778 438 HE3 MET 61 HE3 MET 61 -11.917 7.947 -0.309 439 H THR 62 H THR 62 -14.208 11.981 -0.903 440 HA THR 62 HA THR 62 -16.123 12.055 0.289 441 HB THR 62 HB THR 62 -17.051 13.915 -1.945 442 HG1 THR 62 HG1 THR 62 -16.087 14.405 0.705 443 HG21 THR 62 HG21 THR 62 -18.417 13.466 0.757 444 HG22 THR 62 HG22 THR 62 -19.085 13.029 -0.818 445 HG23 THR 62 HG23 THR 62 -18.829 14.724 -0.412 446 HA PRO 63 HA PRO 63 -18.711 8.613 -1.371 447 HB2 PRO 63 HB2 PRO 63 -20.643 8.685 0.653 448 HB3 PRO 63 HB3 PRO 63 -19.104 7.819 0.768 449 HG2 PRO 63 HG2 PRO 63 -19.804 10.576 1.791 450 HG3 PRO 63 HG3 PRO 63 -18.921 9.270 2.616 451 HD2 PRO 63 HD2 PRO 63 -17.584 11.311 1.522 452 HD3 PRO 63 HD3 PRO 63 -16.945 9.659 1.380 453 H ARG 64 H ARG 64 -19.713 9.291 -3.221 454 HA ARG 64 HA ARG 64 -22.117 10.957 -3.150 455 HB2 ARG 64 HB2 ARG 64 -19.879 12.392 -3.294 456 HB3 ARG 64 HB3 ARG 64 -19.843 11.865 -4.971 457 HG2 ARG 64 HG2 ARG 64 -21.987 12.960 -5.399 458 HG3 ARG 64 HG3 ARG 64 -22.158 13.359 -3.689 459 HD2 ARG 64 HD2 ARG 64 -20.036 14.749 -3.916 460 HD3 ARG 64 HD3 ARG 64 -20.155 14.500 -5.666 461 HE ARG 64 HE ARG 64 -22.623 15.475 -4.687 462 HH11 ARG 64 HH11 ARG 64 -19.431 16.620 -5.365 463 HH12 ARG 64 HH12 ARG 64 -19.946 18.261 -5.519 464 HH21 ARG 64 HH21 ARG 64 -23.244 17.570 -4.887 465 HH22 ARG 64 HH22 ARG 64 -22.076 18.792 -5.236 466 HA PRO 65 HA PRO 65 -23.089 8.065 -6.499 467 HB2 PRO 65 HB2 PRO 65 -25.333 9.176 -7.556 468 HB3 PRO 65 HB3 PRO 65 -25.309 8.486 -5.926 469 HG2 PRO 65 HG2 PRO 65 -25.002 11.385 -6.750 470 HG3 PRO 65 HG3 PRO 65 -26.075 10.694 -5.511 471 HD2 PRO 65 HD2 PRO 65 -23.697 11.816 -4.856 472 HD3 PRO 65 HD3 PRO 65 -24.332 10.415 -3.969 473 H GLU 66 H GLU 66 -21.390 10.703 -7.194 474 HA GLU 66 HA GLU 66 -21.864 10.750 -10.119 475 HB2 GLU 66 HB2 GLU 66 -20.467 12.790 -8.335 476 HB3 GLU 66 HB3 GLU 66 -20.672 12.927 -10.084 477 HG2 GLU 66 HG2 GLU 66 -23.133 12.963 -9.788 478 HG3 GLU 66 HG3 GLU 66 -22.920 12.857 -8.038 479 H PHE 67 H PHE 67 -20.120 10.640 -11.552 480 HA PHE 67 HA PHE 67 -17.867 8.975 -10.698 481 HB2 PHE 67 HB2 PHE 67 -19.405 8.380 -12.635 482 HB3 PHE 67 HB3 PHE 67 -18.770 9.767 -13.507 483 HD1 PHE 67 HD2 PHE 67 -17.641 6.593 -11.836 484 HD2 PHE 67 HD1 PHE 67 -16.896 9.435 -14.954 485 HE1 PHE 67 HE2 PHE 67 -15.835 5.173 -12.711 486 HE2 PHE 67 HE1 PHE 67 -15.092 8.004 -15.818 487 HZ PHE 67 HZ PHE 67 -14.558 5.874 -14.699 488 H ASN 68 H ASN 68 -18.029 12.006 -10.226 489 HA ASN 68 HA ASN 68 -16.313 13.416 -11.995 490 HB2 ASN 68 HB2 ASN 68 -17.007 14.055 -9.096 491 HB3 ASN 68 HB3 ASN 68 -16.309 15.187 -10.252 492 HD21 ASN 68 HD21 ASN 68 -18.806 15.430 -8.790 493 HD22 ASN 68 HD22 ASN 68 -20.053 15.563 -9.976 494 H PHE 69 H PHE 69 -15.549 11.193 -9.465 495 HA PHE 69 HA PHE 69 -12.690 12.005 -9.427 496 HB2 PHE 69 HB2 PHE 69 -14.249 10.748 -7.128 497 HB3 PHE 69 HB3 PHE 69 -12.546 11.193 -7.097 498 HD1 PHE 69 HD1 PHE 69 -11.874 13.590 -7.007 499 HD2 PHE 69 HD2 PHE 69 -15.995 12.437 -6.882 500 HE1 PHE 69 HE1 PHE 69 -12.484 15.824 -6.189 501 HE2 PHE 69 HE2 PHE 69 -16.591 14.673 -6.062 502 HZ PHE 69 HZ PHE 69 -14.840 16.365 -5.714 503 HA PRO 70 HA PRO 70 -12.317 7.557 -10.580 504 HB2 PRO 70 HB2 PRO 70 -10.946 7.801 -12.863 505 HB3 PRO 70 HB3 PRO 70 -12.676 8.174 -12.828 506 HG2 PRO 70 HG2 PRO 70 -10.331 10.060 -12.860 507 HG3 PRO 70 HG3 PRO 70 -11.902 10.215 -13.671 508 HD2 PRO 70 HD2 PRO 70 -11.170 11.398 -11.183 509 HD3 PRO 70 HD3 PRO 70 -12.811 11.303 -11.860 510 H GLY 71 H GLY 71 -10.674 9.394 -8.773 511 HA2 GLY 71 HA2 GLY 71 -7.870 8.861 -9.404 512 HA3 GLY 71 HA3 GLY 71 -8.489 9.847 -8.093 513 H LEU 72 H LEU 72 -8.559 6.423 -9.111 514 HA LEU 72 HA LEU 72 -8.195 4.457 -8.106 515 HB2 LEU 72 HB2 LEU 72 -6.277 6.158 -6.494 516 HB3 LEU 72 HB3 LEU 72 -6.421 4.436 -6.209 517 HG LEU 72 HG LEU 72 -4.501 4.788 -7.605 518 HD11 LEU 72 HD11 LEU 72 -5.802 2.798 -8.117 519 HD12 LEU 72 HD12 LEU 72 -4.998 3.422 -9.554 520 HD13 LEU 72 HD13 LEU 72 -6.730 3.686 -9.331 521 HD21 LEU 72 HD21 LEU 72 -6.249 6.309 -9.571 522 HD22 LEU 72 HD22 LEU 72 -4.548 5.886 -9.799 523 HD23 LEU 72 HD23 LEU 72 -5.012 7.001 -8.516 524 H LYS 73 H LYS 73 -10.096 3.772 -7.270 525 HA LYS 73 HA LYS 73 -10.870 4.478 -4.502 526 HB2 LYS 73 HB2 LYS 73 -13.024 3.463 -4.986 527 HB3 LYS 73 HB3 LYS 73 -12.608 4.529 -6.329 528 HG2 LYS 73 HG2 LYS 73 -11.727 2.418 -7.516 529 HG3 LYS 73 HG3 LYS 73 -12.559 1.502 -6.255 530 HD2 LYS 73 HD2 LYS 73 -14.709 2.517 -6.930 531 HD3 LYS 73 HD3 LYS 73 -13.878 3.481 -8.159 532 HE2 LYS 73 HE2 LYS 73 -13.103 1.275 -9.191 533 HE3 LYS 73 HE3 LYS 73 -14.226 0.465 -8.092 534 HZ1 LYS 73 HZ1 LYS 73 -14.961 2.512 -10.112 535 HZ2 LYS 73 HZ2 LYS 73 -16.034 1.704 -9.084 536 HZ3 LYS 73 HZ3 LYS 73 -15.188 0.847 -10.264 537 H ALA 74 H ALA 74 -11.683 2.543 -3.165 538 HA ALA 74 HA ALA 74 -9.638 0.649 -2.691 539 HB1 ALA 74 HB1 ALA 74 -12.531 0.560 -1.791 540 HB2 ALA 74 HB2 ALA 74 -11.214 1.389 -0.957 541 HB3 ALA 74 HB3 ALA 74 -11.199 -0.369 -1.099 542 H GLY 75 H GLY 75 -9.110 -1.029 -3.939 543 HA2 GLY 75 HA2 GLY 75 -9.750 -3.238 -4.810 544 HA3 GLY 75 HA3 GLY 75 -11.206 -2.523 -5.460 545 H ASP 76 H ASP 76 -9.143 -0.160 -6.157 546 HA ASP 76 HA ASP 76 -8.505 -1.123 -8.838 547 HB2 ASP 76 HB2 ASP 76 -8.132 1.589 -7.510 548 HB3 ASP 76 HB3 ASP 76 -7.596 1.237 -9.150 549 H ARG 77 H ARG 77 -6.863 -2.606 -8.673 550 HA ARG 77 HA ARG 77 -4.328 -1.901 -7.337 551 HB2 ARG 77 HB2 ARG 77 -5.346 -4.127 -6.940 552 HB3 ARG 77 HB3 ARG 77 -5.297 -4.477 -8.661 553 HG2 ARG 77 HG2 ARG 77 -2.834 -4.479 -8.605 554 HG3 ARG 77 HG3 ARG 77 -2.865 -4.072 -6.887 555 HD2 ARG 77 HD2 ARG 77 -2.475 -6.466 -7.190 556 HD3 ARG 77 HD3 ARG 77 -4.029 -6.188 -6.396 557 HE ARG 77 HE ARG 77 -3.815 -6.741 -9.300 558 HH11 ARG 77 HH11 ARG 77 -5.379 -7.384 -6.269 559 HH12 ARG 77 HH12 ARG 77 -6.370 -8.628 -6.940 560 HH21 ARG 77 HH21 ARG 77 -5.114 -8.310 -10.111 561 HH22 ARG 77 HH22 ARG 77 -6.223 -9.140 -9.077 562 H TRP 78 H TRP 78 -3.726 -0.272 -8.783 563 HA TRP 78 HA TRP 78 -2.161 -0.835 -11.081 564 HB2 TRP 78 HB2 TRP 78 -4.976 0.224 -11.623 565 HB3 TRP 78 HB3 TRP 78 -3.654 0.685 -12.682 566 HD1 TRP 78 HD1 TRP 78 -2.322 -1.619 -13.816 567 HE1 TRP 78 HE1 TRP 78 -3.452 -3.671 -14.868 568 HE3 TRP 78 HE3 TRP 78 -6.955 -1.219 -11.648 569 HZ2 TRP 78 HZ2 TRP 78 -5.957 -4.961 -14.801 570 HZ3 TRP 78 HZ3 TRP 78 -8.662 -2.915 -12.190 571 HH2 TRP 78 HH2 TRP 78 -8.171 -4.749 -13.736 572 H CYS 79 H CYS 79 -0.609 0.719 -10.786 573 HA CYS 79 HA CYS 79 0.453 2.710 -10.501 574 HB2 CYS 79 HB2 CYS 79 -2.209 3.959 -11.288 575 HB3 CYS 79 HB3 CYS 79 -0.621 4.719 -11.402 576 HG CYS 79 HG CYS 79 -1.782 3.834 -13.918 577 H LEU 80 H LEU 80 -0.873 1.546 -8.167 578 HA LEU 80 HA LEU 80 -2.143 3.512 -6.545 579 HB2 LEU 80 HB2 LEU 80 -2.475 1.051 -6.273 580 HB3 LEU 80 HB3 LEU 80 -0.807 0.874 -5.770 581 HG LEU 80 HG LEU 80 -2.674 0.775 -3.970 582 HD11 LEU 80 HD11 LEU 80 -1.314 1.793 -2.218 583 HD12 LEU 80 HD12 LEU 80 -0.332 2.615 -3.431 584 HD13 LEU 80 HD13 LEU 80 -0.327 0.852 -3.336 585 HD21 LEU 80 HD21 LEU 80 -3.437 2.891 -3.006 586 HD22 LEU 80 HD22 LEU 80 -3.962 2.727 -4.679 587 HD23 LEU 80 HD23 LEU 80 -2.611 3.792 -4.281 588 H CYS 81 H CYS 81 -1.309 4.956 -5.102 589 HA CYS 81 HA CYS 81 1.399 5.792 -5.188 590 HB2 CYS 81 HB2 CYS 81 -0.719 6.514 -3.125 591 HB3 CYS 81 HB3 CYS 81 0.727 7.447 -3.516 592 HG CYS 81 HG CYS 81 -1.878 8.436 -4.494 593 H ALA 82 H ALA 82 2.845 4.195 -4.520 594 HA ALA 82 HA ALA 82 2.571 2.403 -2.382 595 HB1 ALA 82 HB1 ALA 82 4.951 1.897 -2.672 596 HB2 ALA 82 HB2 ALA 82 5.173 3.382 -3.603 597 HB3 ALA 82 HB3 ALA 82 4.170 2.084 -4.242 598 H SER 83 H SER 83 3.861 5.691 -2.374 599 HA SER 83 HA SER 83 5.157 5.821 0.099 600 HB2 SER 83 HB2 SER 83 3.468 7.965 -1.254 601 HB3 SER 83 HB3 SER 83 4.615 8.260 0.054 602 HG SER 83 HG SER 83 6.142 8.286 -1.369 603 H ARG 84 H ARG 84 1.710 5.891 -0.615 604 HA ARG 84 HA ARG 84 0.779 6.627 2.003 605 HB2 ARG 84 HB2 ARG 84 -0.536 5.647 -0.537 606 HB3 ARG 84 HB3 ARG 84 -1.468 5.666 0.946 607 HG2 ARG 84 HG2 ARG 84 -1.890 7.659 -0.418 608 HG3 ARG 84 HG3 ARG 84 -1.205 8.076 1.152 609 HD2 ARG 84 HD2 ARG 84 0.951 8.542 0.167 610 HD3 ARG 84 HD3 ARG 84 0.449 7.883 -1.391 611 HE ARG 84 HE ARG 84 -1.061 9.770 -1.620 612 HH11 ARG 84 HH11 ARG 84 1.392 10.170 0.800 613 HH12 ARG 84 HH12 ARG 84 1.332 11.892 0.700 614 HH21 ARG 84 HH21 ARG 84 -1.121 11.949 -1.686 615 HH22 ARG 84 HH22 ARG 84 -0.079 12.880 -0.675 616 H TRP 85 H TRP 85 1.111 3.510 0.269 617 HA TRP 85 HA TRP 85 0.014 1.848 2.327 618 HB2 TRP 85 HB2 TRP 85 0.093 1.014 0.077 619 HB3 TRP 85 HB3 TRP 85 1.831 1.268 -0.031 620 HD1 TRP 85 HD1 TRP 85 2.482 -1.183 -0.569 621 HE1 TRP 85 HE1 TRP 85 2.469 -3.376 0.767 622 HE3 TRP 85 HE3 TRP 85 -0.498 0.157 3.397 623 HZ2 TRP 85 HZ2 TRP 85 1.443 -4.403 3.124 624 HZ3 TRP 85 HZ3 TRP 85 -0.932 -1.512 5.127 625 HH2 TRP 85 HH2 TRP 85 0.022 -3.753 4.988 626 H GLN 86 H GLN 86 3.437 2.513 1.431 627 HA GLN 86 HA GLN 86 4.856 1.521 3.541 628 HB2 GLN 86 HB2 GLN 86 5.830 2.622 1.580 629 HB3 GLN 86 HB3 GLN 86 5.226 4.180 2.100 630 HG2 GLN 86 HG2 GLN 86 7.689 3.777 2.397 631 HG3 GLN 86 HG3 GLN 86 6.845 4.355 3.833 632 HE21 GLN 86 HE21 GLN 86 6.649 2.921 5.598 633 HE22 GLN 86 HE22 GLN 86 7.552 1.460 5.715 634 H GLU 87 H GLU 87 3.110 4.668 3.499 635 HA GLU 87 HA GLU 87 3.715 5.584 6.089 636 HB2 GLU 87 HB2 GLU 87 2.670 7.085 4.488 637 HB3 GLU 87 HB3 GLU 87 1.250 6.061 4.369 638 HG2 GLU 87 HG2 GLU 87 0.685 8.013 5.665 639 HG3 GLU 87 HG3 GLU 87 0.673 6.617 6.735 640 H ALA 88 H ALA 88 1.018 3.471 4.998 641 HA ALA 88 HA ALA 88 -0.526 3.475 7.346 642 HB1 ALA 88 HB1 ALA 88 -0.302 1.220 5.332 643 HB2 ALA 88 HB2 ALA 88 -1.324 2.647 5.156 644 HB3 ALA 88 HB3 ALA 88 -1.637 1.501 6.462 645 H PHE 89 H PHE 89 2.198 1.330 6.484 646 HA PHE 89 HA PHE 89 1.859 -0.423 8.737 647 HB2 PHE 89 HB2 PHE 89 2.977 -1.143 6.639 648 HB3 PHE 89 HB3 PHE 89 4.307 -0.038 6.974 649 HD1 PHE 89 HD2 PHE 89 2.421 -2.773 8.748 650 HD2 PHE 89 HD1 PHE 89 6.241 -1.026 7.924 651 HE1 PHE 89 HE2 PHE 89 3.516 -4.530 10.065 652 HE2 PHE 89 HE1 PHE 89 7.322 -2.798 9.238 653 HZ PHE 89 HZ PHE 89 5.967 -4.549 10.311 654 H GLU 90 H GLU 90 4.052 2.306 8.064 655 HA GLU 90 HA GLU 90 5.411 2.240 10.592 656 HB2 GLU 90 HB2 GLU 90 5.183 4.479 8.541 657 HB3 GLU 90 HB3 GLU 90 6.320 4.455 9.886 658 HG2 GLU 90 HG2 GLU 90 6.271 2.488 7.567 659 HG3 GLU 90 HG3 GLU 90 7.387 3.835 7.749 660 H ALA 91 H ALA 91 2.399 3.627 9.559 661 HA ALA 91 HA ALA 91 2.053 5.405 11.845 662 HB1 ALA 91 HB1 ALA 91 -0.190 5.830 10.903 663 HB2 ALA 91 HB2 ALA 91 0.056 4.547 9.711 664 HB3 ALA 91 HB3 ALA 91 1.058 6.001 9.665 665 H GLY 92 H GLY 92 1.344 2.091 11.014 666 HA2 GLY 92 HA2 GLY 92 0.786 0.340 12.435 667 HA3 GLY 92 HA3 GLY 92 0.470 1.487 13.727 668 H MET 93 H MET 93 -0.937 1.330 10.475 669 HA MET 93 HA MET 93 -3.530 0.374 11.481 670 HB2 MET 93 HB2 MET 93 -4.750 2.200 10.339 671 HB3 MET 93 HB3 MET 93 -3.673 2.825 11.571 672 HG2 MET 93 HG2 MET 93 -3.428 4.330 9.785 673 HG3 MET 93 HG3 MET 93 -2.014 3.286 9.653 674 HE1 MET 93 HE1 MET 93 -5.733 2.919 6.917 675 HE2 MET 93 HE2 MET 93 -5.615 4.069 8.250 676 HE3 MET 93 HE3 MET 93 -5.745 2.338 8.582 677 H ALA 94 H ALA 94 -1.181 -0.356 9.613 678 HA ALA 94 HA ALA 94 -1.753 -0.456 6.954 679 HB1 ALA 94 HB1 ALA 94 -0.297 -2.553 8.574 680 HB2 ALA 94 HB2 ALA 94 0.383 -1.060 7.936 681 HB3 ALA 94 HB3 ALA 94 -0.161 -2.314 6.830 682 HA PRO 95 HA PRO 95 -5.166 -3.583 6.608 683 HB2 PRO 95 HB2 PRO 95 -5.323 -2.512 3.829 684 HB3 PRO 95 HB3 PRO 95 -6.564 -2.526 5.086 685 HG2 PRO 95 HG2 PRO 95 -5.395 -0.236 4.314 686 HG3 PRO 95 HG3 PRO 95 -5.851 -0.512 6.010 687 HD2 PRO 95 HD2 PRO 95 -3.128 -0.835 4.711 688 HD3 PRO 95 HD3 PRO 95 -3.564 0.039 6.204 689 HA PRO 96 HA PRO 96 -3.004 -6.756 4.116 690 HB2 PRO 96 HB2 PRO 96 -4.923 -7.992 2.602 691 HB3 PRO 96 HB3 PRO 96 -4.810 -8.195 4.358 692 HG2 PRO 96 HG2 PRO 96 -6.590 -6.319 2.786 693 HG3 PRO 96 HG3 PRO 96 -7.033 -7.414 4.114 694 HD2 PRO 96 HD2 PRO 96 -6.611 -4.781 4.552 695 HD3 PRO 96 HD3 PRO 96 -6.129 -5.996 5.757 696 H VAL 97 H VAL 97 -2.002 -7.170 2.142 697 HA VAL 97 HA VAL 97 -2.754 -5.659 -0.286 698 HB VAL 97 HB VAL 97 -0.954 -4.367 0.934 699 HG11 VAL 97 HG11 VAL 97 1.325 -5.246 1.127 700 HG12 VAL 97 HG12 VAL 97 0.806 -6.799 0.458 701 HG13 VAL 97 HG13 VAL 97 0.190 -6.261 2.024 702 HG21 VAL 97 HG21 VAL 97 0.070 -5.539 -1.694 703 HG22 VAL 97 HG22 VAL 97 0.590 -4.017 -0.957 704 HG23 VAL 97 HG23 VAL 97 -1.065 -4.188 -1.550 705 H VAL 98 H VAL 98 -1.635 -6.606 -2.254 706 HA VAL 98 HA VAL 98 -1.182 -9.500 -2.088 707 HB VAL 98 HB VAL 98 -0.962 -9.346 -4.618 708 HG11 VAL 98 HG11 VAL 98 -3.354 -8.938 -5.069 709 HG12 VAL 98 HG12 VAL 98 -3.539 -8.192 -3.479 710 HG13 VAL 98 HG13 VAL 98 -3.141 -9.908 -3.609 711 HG21 VAL 98 HG21 VAL 98 -1.737 -6.427 -4.190 712 HG22 VAL 98 HG22 VAL 98 -1.638 -7.244 -5.752 713 HG23 VAL 98 HG23 VAL 98 -0.181 -7.007 -4.790 714 H LEU 99 H LEU 99 0.854 -10.412 -2.003 715 HA LEU 99 HA LEU 99 3.249 -8.931 -2.836 716 HB2 LEU 99 HB2 LEU 99 2.723 -11.605 -1.540 717 HB3 LEU 99 HB3 LEU 99 4.205 -11.461 -2.460 718 HG LEU 99 HG LEU 99 3.470 -9.717 -0.079 719 HD11 LEU 99 HD11 LEU 99 5.192 -10.966 1.120 720 HD12 LEU 99 HD12 LEU 99 5.436 -12.011 -0.280 721 HD13 LEU 99 HD13 LEU 99 3.894 -12.025 0.578 722 HD21 LEU 99 HD21 LEU 99 6.048 -9.846 -1.692 723 HD22 LEU 99 HD22 LEU 99 5.802 -8.912 -0.213 724 HD23 LEU 99 HD23 LEU 99 4.898 -8.504 -1.668 725 H GLN 100 H GLN 100 1.088 -11.439 -3.931 726 HA GLN 100 HA GLN 100 2.713 -12.520 -6.058 727 HB2 GLN 100 HB2 GLN 100 0.765 -14.010 -6.403 728 HB3 GLN 100 HB3 GLN 100 1.225 -13.927 -4.707 729 HG2 GLN 100 HG2 GLN 100 -0.632 -12.192 -4.416 730 HG3 GLN 100 HG3 GLN 100 -1.166 -12.620 -6.040 731 HE21 GLN 100 HE21 GLN 100 -2.645 -12.900 -3.565 732 HE22 GLN 100 HE22 GLN 100 -3.002 -14.579 -3.381 733 H SER 101 H SER 101 1.472 -9.600 -6.148 734 HA SER 101 HA SER 101 0.926 -9.636 -9.016 735 HB2 SER 101 HB2 SER 101 -1.331 -9.862 -8.063 736 HB3 SER 101 HB3 SER 101 -1.077 -8.447 -7.049 737 HG SER 101 HG SER 101 -0.839 -8.291 -9.861 738 H THR 102 H THR 102 1.337 -7.615 -6.068 739 HA THR 102 HA THR 102 2.089 -5.201 -7.327 740 HB THR 102 HB THR 102 3.075 -6.247 -4.623 741 HG1 THR 102 HG1 THR 102 1.239 -5.524 -3.794 742 HG21 THR 102 HG21 THR 102 3.379 -3.867 -4.019 743 HG22 THR 102 HG22 THR 102 2.933 -3.384 -5.656 744 HG23 THR 102 HG23 THR 102 4.414 -4.307 -5.379 745 H GLU 103 H GLU 103 3.933 -4.534 -8.328 746 HA GLU 103 HA GLU 103 5.974 -6.446 -9.015 747 HB2 GLU 103 HB2 GLU 103 5.866 -3.467 -9.661 748 HB3 GLU 103 HB3 GLU 103 6.947 -4.640 -10.397 749 HG2 GLU 103 HG2 GLU 103 5.276 -4.290 -12.007 750 HG3 GLU 103 HG3 GLU 103 4.846 -5.829 -11.266 751 H LYS 104 H LYS 104 8.296 -6.018 -8.851 752 HA LYS 104 HA LYS 104 9.161 -5.406 -6.189 753 HB2 LYS 104 HB2 LYS 104 10.609 -6.212 -8.726 754 HB3 LYS 104 HB3 LYS 104 11.531 -5.682 -7.327 755 HG2 LYS 104 HG2 LYS 104 11.446 -8.098 -7.363 756 HG3 LYS 104 HG3 LYS 104 10.539 -7.495 -5.973 757 HD2 LYS 104 HD2 LYS 104 8.411 -7.891 -7.189 758 HD3 LYS 104 HD3 LYS 104 9.311 -8.478 -8.593 759 HE2 LYS 104 HE2 LYS 104 10.184 -10.352 -7.264 760 HE3 LYS 104 HE3 LYS 104 9.355 -9.743 -5.828 761 HZ1 LYS 104 HZ1 LYS 104 8.149 -11.541 -6.876 762 HZ2 LYS 104 HZ2 LYS 104 8.043 -10.671 -8.320 763 HZ3 LYS 104 HZ3 LYS 104 7.251 -10.110 -6.933 764 H SER 105 H SER 105 8.802 -3.427 -9.030 765 HA SER 105 HA SER 105 10.649 -1.354 -8.533 766 HB2 SER 105 HB2 SER 105 7.883 -1.154 -9.781 767 HB3 SER 105 HB3 SER 105 9.148 0.068 -9.916 768 HG SER 105 HG SER 105 8.745 -2.014 -11.474 769 H ALA 106 H ALA 106 7.600 -2.104 -6.973 770 HA ALA 106 HA ALA 106 7.036 0.315 -5.640 771 HB1 ALA 106 HB1 ALA 106 6.429 -2.512 -4.710 772 HB2 ALA 106 HB2 ALA 106 5.429 -1.547 -5.797 773 HB3 ALA 106 HB3 ALA 106 5.650 -1.035 -4.122 774 H LEU 107 H LEU 107 9.362 -2.205 -4.885 775 HA LEU 107 HA LEU 107 9.736 -1.813 -2.104 776 HB2 LEU 107 HB2 LEU 107 11.340 -3.165 -4.270 777 HB3 LEU 107 HB3 LEU 107 12.075 -2.960 -2.692 778 HG LEU 107 HG LEU 107 10.317 -4.311 -1.637 779 HD11 LEU 107 HD11 LEU 107 8.405 -3.774 -3.043 780 HD12 LEU 107 HD12 LEU 107 8.630 -5.517 -2.946 781 HD13 LEU 107 HD13 LEU 107 9.121 -4.647 -4.404 782 HD21 LEU 107 HD21 LEU 107 10.900 -6.502 -2.601 783 HD22 LEU 107 HD22 LEU 107 12.319 -5.463 -2.483 784 HD23 LEU 107 HD23 LEU 107 11.538 -5.713 -4.048 785 H ARG 108 H ARG 108 10.439 0.497 -4.328 786 HA ARG 108 HA ARG 108 12.921 1.490 -3.076 787 HB2 ARG 108 HB2 ARG 108 11.358 2.559 -5.468 788 HB3 ARG 108 HB3 ARG 108 12.916 3.164 -4.903 789 HG2 ARG 108 HG2 ARG 108 13.933 0.945 -5.435 790 HG3 ARG 108 HG3 ARG 108 12.370 0.411 -6.070 791 HD2 ARG 108 HD2 ARG 108 13.889 1.134 -7.873 792 HD3 ARG 108 HD3 ARG 108 12.455 2.165 -7.793 793 HE ARG 108 HE ARG 108 14.436 3.371 -6.236 794 HH11 ARG 108 HH11 ARG 108 14.026 2.604 -9.590 795 HH12 ARG 108 HH12 ARG 108 14.971 3.948 -10.114 796 HH21 ARG 108 HH21 ARG 108 15.630 5.066 -6.932 797 HH22 ARG 108 HH22 ARG 108 15.867 5.325 -8.623 798 H TYR 109 H TYR 109 9.524 2.032 -3.299 799 HA TYR 109 HA TYR 109 9.544 4.635 -1.924 800 HB2 TYR 109 HB2 TYR 109 7.246 3.083 -3.227 801 HB3 TYR 109 HB3 TYR 109 7.170 4.745 -2.638 802 HD1 TYR 109 HD1 TYR 109 8.713 2.546 -5.245 803 HD2 TYR 109 HD2 TYR 109 7.968 6.579 -4.014 804 HE1 TYR 109 HE1 TYR 109 9.535 3.360 -7.411 805 HE2 TYR 109 HE2 TYR 109 8.795 7.388 -6.176 806 HH TYR 109 HH TYR 109 10.159 6.719 -7.995 807 H VAL 110 H VAL 110 8.032 1.381 -1.704 808 HA VAL 110 HA VAL 110 7.820 1.596 1.227 809 HB VAL 110 HB VAL 110 6.891 -0.705 1.187 810 HG11 VAL 110 HG11 VAL 110 4.801 -0.356 0.005 811 HG12 VAL 110 HG12 VAL 110 5.506 1.024 -0.859 812 HG13 VAL 110 HG13 VAL 110 5.290 1.092 0.895 813 HG21 VAL 110 HG21 VAL 110 7.235 -0.606 -1.810 814 HG22 VAL 110 HG22 VAL 110 6.420 -1.878 -0.905 815 HG23 VAL 110 HG23 VAL 110 8.150 -1.619 -0.696 816 H SER 111 H SER 111 8.576 -0.594 2.323 817 HA SER 111 HA SER 111 10.960 -1.784 1.009 818 HB2 SER 111 HB2 SER 111 11.414 -0.932 3.258 819 HB3 SER 111 HB3 SER 111 10.071 -1.846 3.925 820 HG SER 111 HG SER 111 12.179 -2.837 4.190 821 H LEU 112 H LEU 112 10.972 -4.057 0.817 822 HA LEU 112 HA LEU 112 8.749 -5.559 0.268 823 HB2 LEU 112 HB2 LEU 112 10.905 -6.333 -0.368 824 HB3 LEU 112 HB3 LEU 112 11.493 -6.307 1.272 825 HG LEU 112 HG LEU 112 9.301 -8.293 0.684 826 HD11 LEU 112 HD11 LEU 112 12.151 -8.748 -0.264 827 HD12 LEU 112 HD12 LEU 112 10.736 -8.548 -1.300 828 HD13 LEU 112 HD13 LEU 112 10.855 -9.952 -0.241 829 HD21 LEU 112 HD21 LEU 112 10.199 -8.166 2.952 830 HD22 LEU 112 HD22 LEU 112 11.844 -8.436 2.352 831 HD23 LEU 112 HD23 LEU 112 10.634 -9.718 2.225 832 H ALA 113 H ALA 113 10.171 -4.936 3.429 833 HA ALA 113 HA ALA 113 8.903 -6.903 4.992 834 HB1 ALA 113 HB1 ALA 113 10.857 -5.600 5.726 835 HB2 ALA 113 HB2 ALA 113 9.554 -5.534 6.914 836 HB3 ALA 113 HB3 ALA 113 9.855 -4.154 5.848 837 H ASP 114 H ASP 114 7.696 -3.655 4.011 838 HA ASP 114 HA ASP 114 5.450 -3.538 5.766 839 HB2 ASP 114 HB2 ASP 114 5.778 -2.266 3.002 840 HB3 ASP 114 HB3 ASP 114 4.609 -1.785 4.237 841 H LEU 115 H LEU 115 5.918 -4.758 2.498 842 HA LEU 115 HA LEU 115 3.231 -5.427 1.862 843 HB2 LEU 115 HB2 LEU 115 5.597 -6.926 0.682 844 HB3 LEU 115 HB3 LEU 115 4.071 -6.499 -0.080 845 HG LEU 115 HG LEU 115 6.491 -4.722 0.415 846 HD11 LEU 115 HD11 LEU 115 6.393 -4.376 -2.018 847 HD12 LEU 115 HD12 LEU 115 5.027 -5.499 -2.118 848 HD13 LEU 115 HD13 LEU 115 6.613 -6.077 -1.587 849 HD21 LEU 115 HD21 LEU 115 4.575 -3.376 1.000 850 HD22 LEU 115 HD22 LEU 115 3.757 -3.812 -0.506 851 HD23 LEU 115 HD23 LEU 115 5.237 -2.849 -0.544 852 H GLN 116 H GLN 116 5.967 -7.413 2.999 853 HA GLN 116 HA GLN 116 4.584 -9.919 2.984 854 HB2 GLN 116 HB2 GLN 116 7.181 -9.177 4.383 855 HB3 GLN 116 HB3 GLN 116 6.615 -10.809 4.042 856 HG2 GLN 116 HG2 GLN 116 6.659 -9.423 1.543 857 HG3 GLN 116 HG3 GLN 116 8.156 -9.019 2.362 858 HE21 GLN 116 HE21 GLN 116 8.119 -11.770 3.681 859 HE22 GLN 116 HE22 GLN 116 8.677 -12.815 2.432 860 H ALA 117 H ALA 117 5.095 -7.460 5.431 861 HA ALA 117 HA ALA 117 4.211 -8.809 7.737 862 HB1 ALA 117 HB1 ALA 117 5.185 -6.558 7.781 863 HB2 ALA 117 HB2 ALA 117 3.624 -6.577 8.605 864 HB3 ALA 117 HB3 ALA 117 3.758 -5.905 6.975 865 H HIS 118 H HIS 118 2.357 -7.736 4.958 866 HA HIS 118 HA HIS 118 -0.177 -8.674 6.191 867 HB2 HIS 118 HB2 HIS 118 0.216 -6.083 4.616 868 HB3 HIS 118 HB3 HIS 118 -1.363 -6.759 5.032 869 HD1 HIS 118 HD1 HIS 118 1.698 -5.252 6.638 870 HD2 HIS 118 HD2 HIS 118 -2.183 -6.320 7.635 871 HE1 HIS 118 HE1 HIS 118 1.367 -4.451 8.990 872 HE2 HIS 118 HE2 HIS 118 -1.051 -4.925 9.480 873 H ALA 119 H ALA 119 1.766 -9.865 4.277 874 HA ALA 119 HA ALA 119 -0.141 -11.173 2.587 875 HB1 ALA 119 HB1 ALA 119 0.880 -10.624 0.400 876 HB2 ALA 119 HB2 ALA 119 1.982 -9.491 1.189 877 HB3 ALA 119 HB3 ALA 119 0.248 -9.171 1.175 878 H LEU 120 H LEU 120 0.794 -13.086 1.566 879 HA LEU 120 HA LEU 120 3.630 -13.668 2.077 880 HB2 LEU 120 HB2 LEU 120 3.196 -15.835 2.998 881 HB3 LEU 120 HB3 LEU 120 2.326 -14.667 3.965 882 HG LEU 120 HG LEU 120 0.952 -16.315 1.801 883 HD11 LEU 120 HD11 LEU 120 1.958 -17.898 3.328 884 HD12 LEU 120 HD12 LEU 120 0.208 -17.868 3.551 885 HD13 LEU 120 HD13 LEU 120 1.259 -17.059 4.720 886 HD21 LEU 120 HD21 LEU 120 -1.104 -15.802 3.047 887 HD22 LEU 120 HD22 LEU 120 -0.281 -14.323 2.554 888 HD23 LEU 120 HD23 LEU 120 -0.173 -14.872 4.228 889 HA PRO 121 HA PRO 121 3.741 -15.861 -1.976 890 HB2 PRO 121 HB2 PRO 121 4.804 -18.110 -0.230 891 HB3 PRO 121 HB3 PRO 121 5.386 -17.542 -1.798 892 HG2 PRO 121 HG2 PRO 121 6.678 -16.825 0.398 893 HG3 PRO 121 HG3 PRO 121 6.396 -15.625 -0.882 894 HD2 PRO 121 HD2 PRO 121 4.999 -15.935 1.766 895 HD3 PRO 121 HD3 PRO 121 5.418 -14.454 0.872 896 H VAL 122 H VAL 122 2.209 -17.095 -3.052 897 HA VAL 122 HA VAL 122 -0.012 -18.230 -1.690 898 HB VAL 122 HB VAL 122 -0.236 -17.326 -3.970 899 HG11 VAL 122 HG11 VAL 122 1.391 -19.705 -4.935 900 HG12 VAL 122 HG12 VAL 122 1.902 -18.017 -4.963 901 HG13 VAL 122 HG13 VAL 122 0.555 -18.546 -5.974 902 HG21 VAL 122 HG21 VAL 122 -0.982 -20.272 -3.820 903 HG22 VAL 122 HG22 VAL 122 -1.690 -19.095 -4.929 904 HG23 VAL 122 HG23 VAL 122 -1.932 -18.923 -3.189 905 H LEU 123 H LEU 123 -0.421 -20.308 -1.002 906 HA LEU 123 HA LEU 123 1.954 -21.700 -0.250 907 HB2 LEU 123 HB2 LEU 123 -0.966 -22.237 0.400 908 HB3 LEU 123 HB3 LEU 123 0.382 -23.102 1.101 909 HG LEU 123 HG LEU 123 1.198 -20.829 2.015 910 HD11 LEU 123 HD11 LEU 123 -1.626 -19.953 1.335 911 HD12 LEU 123 HD12 LEU 123 -0.139 -19.328 0.620 912 HD13 LEU 123 HD13 LEU 123 -0.473 -19.058 2.328 913 HD21 LEU 123 HD21 LEU 123 -0.267 -20.938 3.983 914 HD22 LEU 123 HD22 LEU 123 0.204 -22.551 3.452 915 HD23 LEU 123 HD23 LEU 123 -1.412 -21.942 3.088 916 H GLU 124 H GLU 124 2.879 -22.850 -1.865 917 HA GLU 124 HA GLU 124 1.367 -25.105 -3.062 918 HB2 GLU 124 HB2 GLU 124 3.547 -25.066 -4.661 919 HB3 GLU 124 HB3 GLU 124 2.125 -24.092 -4.980 920 HG2 GLU 124 HG2 GLU 124 4.038 -22.713 -5.350 921 HG3 GLU 124 HG3 GLU 124 3.255 -22.146 -3.881 922 H HIS 125 H HIS 125 4.010 -24.303 -0.972 923 HA HIS 125 HA HIS 125 4.409 -27.190 -0.424 924 HB2 HIS 125 HB2 HIS 125 6.548 -25.038 -0.588 925 HB3 HIS 125 HB3 HIS 125 6.812 -26.556 0.265 926 HD1 HIS 125 HD1 HIS 125 6.162 -28.750 -1.388 927 HD2 HIS 125 HD2 HIS 125 7.414 -25.217 -3.169 928 HE1 HIS 125 HE1 HIS 125 6.915 -29.396 -3.688 929 HE2 HIS 125 HE2 HIS 125 7.838 -27.280 -4.675 930 H HIS 126 H HIS 126 5.786 -27.279 1.797 931 HA HIS 126 HA HIS 126 3.748 -26.755 3.738 932 HB2 HIS 126 HB2 HIS 126 5.110 -28.842 3.669 933 HB3 HIS 126 HB3 HIS 126 6.541 -27.923 4.116 934 HD1 HIS 126 HD1 HIS 126 3.335 -29.277 5.506 935 HD2 HIS 126 HD2 HIS 126 6.740 -27.335 6.874 936 HE1 HIS 126 HE1 HIS 126 3.238 -29.437 8.007 937 HE2 HIS 126 HE2 HIS 126 5.201 -28.095 8.810 938 H HIS 127 H HIS 127 3.573 -25.152 5.168 939 HA HIS 127 HA HIS 127 5.982 -23.713 6.154 940 HB2 HIS 127 HB2 HIS 127 3.132 -22.650 5.874 941 HB3 HIS 127 HB3 HIS 127 4.437 -21.794 6.690 942 HD1 HIS 127 HD1 HIS 127 6.205 -20.638 5.213 943 HD2 HIS 127 HD2 HIS 127 3.316 -22.659 3.024 944 HE1 HIS 127 HE1 HIS 127 6.544 -19.923 2.838 945 HE2 HIS 127 HE2 HIS 127 4.967 -21.364 1.520 946 H HIS 128 H HIS 128 5.436 -22.815 8.486 947 HA HIS 128 HA HIS 128 5.211 -23.262 10.688 948 HB2 HIS 128 HB2 HIS 128 2.889 -25.024 9.818 949 HB3 HIS 128 HB3 HIS 128 3.268 -24.659 11.498 950 HD1 HIS 128 HD1 HIS 128 1.960 -22.767 12.418 951 HD2 HIS 128 HD2 HIS 128 2.331 -22.472 8.293 952 HE1 HIS 128 HE1 HIS 128 0.587 -20.777 11.769 953 HE2 HIS 128 HE2 HIS 128 0.707 -20.709 9.257 954 H HIS 129 H HIS 129 7.068 -24.232 11.264 955 HA HIS 129 HA HIS 129 7.248 -27.070 11.709 956 HB2 HIS 129 HB2 HIS 129 9.213 -27.505 10.276 957 HB3 HIS 129 HB3 HIS 129 7.846 -26.985 9.296 958 HD1 HIS 129 HD1 HIS 129 11.301 -26.019 10.272 959 HD2 HIS 129 HD2 HIS 129 8.152 -24.386 8.106 960 HE1 HIS 129 HE1 HIS 129 12.286 -24.091 9.010 961 HE2 HIS 129 HE2 HIS 129 10.412 -23.231 7.584 962 H HIS 130 H HIS 130 9.410 -27.659 12.700 963 HA HIS 130 HA HIS 130 10.260 -25.643 14.620 964 HB2 HIS 130 HB2 HIS 130 11.159 -28.528 14.232 965 HB3 HIS 130 HB3 HIS 130 11.669 -27.494 15.561 966 HD1 HIS 130 HD1 HIS 130 10.112 -27.317 17.556 967 HD2 HIS 130 HD2 HIS 130 8.367 -29.265 14.331 968 HE1 HIS 130 HE1 HIS 130 7.968 -28.275 18.434 969 HE2 HIS 130 HE2 HIS 130 7.002 -29.556 16.502 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -21.038 -12.090 -15.060 2 H2 MET 1 H2 MET 1 -19.412 -12.049 -14.602 3 H3 MET 1 H3 MET 1 -19.870 -12.842 -16.023 4 HA MET 1 HA MET 1 -20.590 -10.780 -17.004 5 HB2 MET 1 HB2 MET 1 -19.499 -9.517 -14.451 6 HB3 MET 1 HB3 MET 1 -20.000 -8.617 -15.880 7 HG2 MET 1 HG2 MET 1 -21.736 -8.509 -14.209 8 HG3 MET 1 HG3 MET 1 -22.312 -9.462 -15.578 9 HE1 MET 1 HE1 MET 1 -24.038 -11.139 -12.419 10 HE2 MET 1 HE2 MET 1 -24.334 -10.372 -13.980 11 HE3 MET 1 HE3 MET 1 -23.688 -9.423 -12.636 12 H GLY 2 H GLY 2 -19.160 -10.568 -18.646 13 HA2 GLY 2 HA2 GLY 2 -16.357 -11.120 -18.375 14 HA3 GLY 2 HA3 GLY 2 -17.175 -10.560 -19.824 15 H GLN 3 H GLN 3 -15.099 -9.682 -17.263 16 HA GLN 3 HA GLN 3 -15.388 -6.830 -17.350 17 HB2 GLN 3 HB2 GLN 3 -14.389 -7.938 -15.401 18 HB3 GLN 3 HB3 GLN 3 -13.085 -8.581 -16.392 19 HG2 GLN 3 HG2 GLN 3 -12.271 -6.267 -16.795 20 HG3 GLN 3 HG3 GLN 3 -13.564 -5.641 -15.773 21 HE21 GLN 3 HE21 GLN 3 -10.635 -5.439 -15.483 22 HE22 GLN 3 HE22 GLN 3 -10.286 -6.059 -13.911 23 H GLY 4 H GLY 4 -14.872 -5.589 -19.080 24 HA2 GLY 4 HA2 GLY 4 -13.182 -6.540 -21.252 25 HA3 GLY 4 HA3 GLY 4 -14.088 -5.041 -21.192 26 H GLN 5 H GLN 5 -10.994 -6.437 -20.897 27 HA GLN 5 HA GLN 5 -9.765 -4.073 -19.659 28 HB2 GLN 5 HB2 GLN 5 -7.640 -5.312 -19.826 29 HB3 GLN 5 HB3 GLN 5 -8.873 -6.291 -19.039 30 HG2 GLN 5 HG2 GLN 5 -9.199 -7.585 -21.100 31 HG3 GLN 5 HG3 GLN 5 -8.034 -6.566 -21.945 32 HE21 GLN 5 HE21 GLN 5 -8.431 -9.124 -19.609 33 HE22 GLN 5 HE22 GLN 5 -6.770 -9.583 -19.542 34 H ASN 6 H ASN 6 -8.376 -2.644 -20.794 35 HA ASN 6 HA ASN 6 -8.084 -2.845 -23.683 36 HB2 ASN 6 HB2 ASN 6 -9.281 -0.654 -24.107 37 HB3 ASN 6 HB3 ASN 6 -10.336 -1.978 -23.642 38 HD21 ASN 6 HD21 ASN 6 -11.198 -1.992 -21.485 39 HD22 ASN 6 HD22 ASN 6 -11.362 -0.519 -20.599 40 H VAL 7 H VAL 7 -6.126 -2.191 -24.139 41 HA VAL 7 HA VAL 7 -4.129 -1.212 -24.227 42 HB VAL 7 HB VAL 7 -5.391 1.454 -23.521 43 HG11 VAL 7 HG11 VAL 7 -3.415 0.589 -25.663 44 HG12 VAL 7 HG12 VAL 7 -3.012 1.420 -24.157 45 HG13 VAL 7 HG13 VAL 7 -3.965 2.249 -25.392 46 HG21 VAL 7 HG21 VAL 7 -6.344 1.632 -25.807 47 HG22 VAL 7 HG22 VAL 7 -7.118 0.337 -24.893 48 HG23 VAL 7 HG23 VAL 7 -5.916 -0.053 -26.126 49 H LEU 8 H LEU 8 -4.978 -2.093 -21.470 50 HA LEU 8 HA LEU 8 -3.861 -0.374 -19.503 51 HB2 LEU 8 HB2 LEU 8 -4.336 -2.044 -17.924 52 HB3 LEU 8 HB3 LEU 8 -5.641 -2.062 -19.098 53 HG LEU 8 HG LEU 8 -3.377 -4.110 -18.953 54 HD11 LEU 8 HD11 LEU 8 -4.886 -4.209 -17.050 55 HD12 LEU 8 HD12 LEU 8 -5.081 -5.625 -18.082 56 HD13 LEU 8 HD13 LEU 8 -6.275 -4.321 -18.132 57 HD21 LEU 8 HD21 LEU 8 -4.230 -3.906 -21.258 58 HD22 LEU 8 HD22 LEU 8 -5.880 -4.158 -20.683 59 HD23 LEU 8 HD23 LEU 8 -4.688 -5.454 -20.543 60 H GLY 9 H GLY 9 -2.404 -2.580 -21.665 61 HA2 GLY 9 HA2 GLY 9 0.235 -2.096 -21.279 62 HA3 GLY 9 HA3 GLY 9 -0.101 -3.346 -20.082 63 H GLN 10 H GLN 10 0.214 -2.637 -23.480 64 HA GLN 10 HA GLN 10 0.279 -5.422 -24.275 65 HB2 GLN 10 HB2 GLN 10 -1.575 -5.155 -25.985 66 HB3 GLN 10 HB3 GLN 10 -2.126 -5.198 -24.316 67 HG2 GLN 10 HG2 GLN 10 -2.504 -2.801 -24.308 68 HG3 GLN 10 HG3 GLN 10 -1.747 -2.634 -25.895 69 HE21 GLN 10 HE21 GLN 10 -4.585 -3.729 -24.179 70 HE22 GLN 10 HE22 GLN 10 -5.611 -3.844 -25.561 71 H ASP 11 H ASP 11 0.036 -2.065 -25.429 72 HA ASP 11 HA ASP 11 1.443 -2.649 -27.923 73 HB2 ASP 11 HB2 ASP 11 -0.616 -1.179 -27.768 74 HB3 ASP 11 HB3 ASP 11 0.316 -0.031 -26.817 75 H LEU 12 H LEU 12 3.070 -0.492 -28.363 76 HA LEU 12 HA LEU 12 5.225 -0.766 -26.457 77 HB2 LEU 12 HB2 LEU 12 5.027 0.942 -28.978 78 HB3 LEU 12 HB3 LEU 12 6.462 0.797 -27.980 79 HG LEU 12 HG LEU 12 6.442 -1.720 -28.526 80 HD11 LEU 12 HD11 LEU 12 4.129 -1.933 -29.337 81 HD12 LEU 12 HD12 LEU 12 5.291 -2.469 -30.549 82 HD13 LEU 12 HD13 LEU 12 4.508 -0.893 -30.714 83 HD21 LEU 12 HD21 LEU 12 6.918 0.235 -30.801 84 HD22 LEU 12 HD22 LEU 12 7.563 -1.406 -30.701 85 HD23 LEU 12 HD23 LEU 12 8.064 -0.192 -29.526 86 H GLU 13 H GLU 13 3.655 0.109 -24.728 87 HA GLU 13 HA GLU 13 3.294 2.868 -24.316 88 HB2 GLU 13 HB2 GLU 13 3.695 0.568 -22.362 89 HB3 GLU 13 HB3 GLU 13 3.519 2.216 -21.784 90 HG2 GLU 13 HG2 GLU 13 1.394 1.124 -21.602 91 HG3 GLU 13 HG3 GLU 13 1.287 2.353 -22.859 92 H VAL 14 H VAL 14 6.014 0.766 -23.368 93 HA VAL 14 HA VAL 14 7.912 2.871 -24.061 94 HB VAL 14 HB VAL 14 7.531 3.127 -21.582 95 HG11 VAL 14 HG11 VAL 14 8.748 0.349 -21.342 96 HG12 VAL 14 HG12 VAL 14 7.082 0.793 -20.959 97 HG13 VAL 14 HG13 VAL 14 8.410 1.442 -19.995 98 HG21 VAL 14 HG21 VAL 14 9.933 3.229 -20.950 99 HG22 VAL 14 HG22 VAL 14 9.650 3.872 -22.569 100 HG23 VAL 14 HG23 VAL 14 10.340 2.259 -22.370 101 H CYS 15 H CYS 15 9.864 2.044 -24.853 102 HA CYS 15 HA CYS 15 10.389 -0.833 -24.822 103 HB2 CYS 15 HB2 CYS 15 8.897 -0.541 -26.783 104 HB3 CYS 15 HB3 CYS 15 10.016 0.643 -27.452 105 HG CYS 15 HG CYS 15 10.217 -1.826 -28.815 106 H CYS 16 H CYS 16 12.481 -1.129 -24.483 107 HA CYS 16 HA CYS 16 14.418 1.029 -24.778 108 HB2 CYS 16 HB2 CYS 16 15.966 -0.500 -23.623 109 HB3 CYS 16 HB3 CYS 16 14.438 -0.400 -22.756 110 HG CYS 16 HG CYS 16 15.297 -2.986 -24.838 111 H CYS 17 H CYS 17 16.183 1.062 -26.189 112 HA CYS 17 HA CYS 17 16.185 -0.486 -28.587 113 HB2 CYS 17 HB2 CYS 17 18.336 1.320 -27.413 114 HB3 CYS 17 HB3 CYS 17 18.360 0.666 -29.053 115 HG CYS 17 HG CYS 17 16.769 2.370 -30.148 116 H ALA 18 H ALA 18 17.462 -1.145 -25.460 117 HA ALA 18 HA ALA 18 19.633 -2.849 -26.055 118 HB1 ALA 18 HB1 ALA 18 17.814 -2.883 -23.623 119 HB2 ALA 18 HB2 ALA 18 19.262 -1.897 -23.822 120 HB3 ALA 18 HB3 ALA 18 19.404 -3.653 -23.742 121 HA PRO 19 HA PRO 19 17.531 -6.497 -27.868 122 HB2 PRO 19 HB2 PRO 19 20.018 -7.818 -26.752 123 HB3 PRO 19 HB3 PRO 19 19.290 -7.966 -28.360 124 HG2 PRO 19 HG2 PRO 19 21.446 -6.456 -28.037 125 HG3 PRO 19 HG3 PRO 19 20.119 -5.878 -29.070 126 HD2 PRO 19 HD2 PRO 19 20.835 -5.061 -26.258 127 HD3 PRO 19 HD3 PRO 19 20.286 -4.061 -27.623 128 H MET 20 H MET 20 16.584 -8.504 -27.179 129 HA MET 20 HA MET 20 15.274 -9.765 -25.831 130 HB2 MET 20 HB2 MET 20 17.539 -9.314 -23.844 131 HB3 MET 20 HB3 MET 20 16.167 -10.352 -23.492 132 HG2 MET 20 HG2 MET 20 16.790 -11.812 -25.374 133 HG3 MET 20 HG3 MET 20 18.170 -10.766 -25.722 134 HE1 MET 20 HE1 MET 20 16.532 -13.153 -23.010 135 HE2 MET 20 HE2 MET 20 16.857 -11.689 -22.077 136 HE3 MET 20 HE3 MET 20 17.778 -13.159 -21.763 137 H THR 21 H THR 21 14.316 -7.267 -26.119 138 HA THR 21 HA THR 21 13.883 -5.593 -23.946 139 HB THR 21 HB THR 21 11.762 -4.839 -25.122 140 HG1 THR 21 HG1 THR 21 11.363 -7.030 -26.044 141 HG21 THR 21 HG21 THR 21 14.163 -5.124 -26.964 142 HG22 THR 21 HG22 THR 21 13.957 -3.865 -25.744 143 HG23 THR 21 HG23 THR 21 12.857 -3.943 -27.123 144 H GLY 22 H GLY 22 13.376 -6.491 -21.973 145 HA2 GLY 22 HA2 GLY 22 10.688 -7.492 -21.488 146 HA3 GLY 22 HA3 GLY 22 11.966 -8.685 -21.248 147 H TRP 23 H TRP 23 13.154 -8.628 -19.366 148 HA TRP 23 HA TRP 23 12.068 -7.217 -17.130 149 HB2 TRP 23 HB2 TRP 23 13.011 -9.538 -17.029 150 HB3 TRP 23 HB3 TRP 23 14.619 -8.879 -17.289 151 HD1 TRP 23 HD1 TRP 23 11.772 -8.694 -14.641 152 HE1 TRP 23 HE1 TRP 23 12.846 -8.336 -12.335 153 HE3 TRP 23 HE3 TRP 23 16.671 -8.249 -16.063 154 HZ2 TRP 23 HZ2 TRP 23 15.412 -7.929 -11.246 155 HZ3 TRP 23 HZ3 TRP 23 18.383 -7.883 -14.323 156 HH2 TRP 23 HH2 TRP 23 17.761 -7.727 -11.958 157 H TYR 24 H TYR 24 12.327 -5.021 -17.374 158 HA TYR 24 HA TYR 24 13.169 -2.953 -17.228 159 HB2 TYR 24 HB2 TYR 24 15.510 -4.365 -15.886 160 HB3 TYR 24 HB3 TYR 24 15.327 -2.617 -15.943 161 HD1 TYR 24 HD1 TYR 24 13.534 -1.485 -14.611 162 HD2 TYR 24 HD2 TYR 24 14.093 -5.719 -14.397 163 HE1 TYR 24 HE1 TYR 24 12.155 -1.567 -12.575 164 HE2 TYR 24 HE2 TYR 24 12.716 -5.799 -12.363 165 HH TYR 24 HH TYR 24 12.014 -4.288 -10.547 166 H ARG 25 H ARG 25 16.328 -4.524 -17.876 167 HA ARG 25 HA ARG 25 17.782 -4.539 -19.589 168 HB2 ARG 25 HB2 ARG 25 15.363 -3.702 -21.229 169 HB3 ARG 25 HB3 ARG 25 16.932 -4.048 -21.950 170 HG2 ARG 25 HG2 ARG 25 15.589 -6.125 -20.202 171 HG3 ARG 25 HG3 ARG 25 15.078 -5.906 -21.876 172 HD2 ARG 25 HD2 ARG 25 16.727 -7.712 -21.695 173 HD3 ARG 25 HD3 ARG 25 17.349 -6.381 -22.664 174 HE ARG 25 HE ARG 25 18.116 -6.639 -19.834 175 HH11 ARG 25 HH11 ARG 25 19.089 -6.580 -23.158 176 HH12 ARG 25 HH12 ARG 25 20.770 -6.607 -22.772 177 HH21 ARG 25 HH21 ARG 25 20.245 -6.719 -19.363 178 HH22 ARG 25 HH22 ARG 25 21.417 -6.702 -20.626 179 H ASN 26 H ASN 26 15.937 -1.677 -20.689 180 HA ASN 26 HA ASN 26 17.907 0.209 -19.659 181 HB2 ASN 26 HB2 ASN 26 18.801 -0.712 -21.920 182 HB3 ASN 26 HB3 ASN 26 17.461 0.117 -22.689 183 HD21 ASN 26 HD21 ASN 26 17.480 2.410 -22.721 184 HD22 ASN 26 HD22 ASN 26 18.930 3.300 -22.445 185 H GLY 27 H GLY 27 14.880 -0.585 -19.875 186 HA2 GLY 27 HA2 GLY 27 13.260 1.204 -19.159 187 HA3 GLY 27 HA3 GLY 27 13.719 2.044 -20.632 188 H PHE 28 H PHE 28 12.603 -1.227 -19.666 189 HA PHE 28 HA PHE 28 10.284 -0.994 -21.442 190 HB2 PHE 28 HB2 PHE 28 12.050 -2.178 -22.782 191 HB3 PHE 28 HB3 PHE 28 12.181 -3.402 -21.524 192 HD1 PHE 28 HD1 PHE 28 10.209 -4.947 -21.108 193 HD2 PHE 28 HD2 PHE 28 10.311 -2.301 -24.441 194 HE1 PHE 28 HE1 PHE 28 8.439 -6.263 -22.208 195 HE2 PHE 28 HE2 PHE 28 8.544 -3.610 -25.542 196 HZ PHE 28 HZ PHE 28 7.605 -5.592 -24.425 197 H CYS 29 H CYS 29 8.488 -1.881 -20.506 198 HA CYS 29 HA CYS 29 8.661 -4.136 -18.686 199 HB2 CYS 29 HB2 CYS 29 8.871 -2.056 -17.218 200 HB3 CYS 29 HB3 CYS 29 7.220 -1.655 -17.674 201 HG CYS 29 HG CYS 29 6.909 -2.720 -15.215 202 H GLN 30 H GLN 30 6.603 -1.758 -20.347 203 HA GLN 30 HA GLN 30 4.762 -1.901 -21.639 204 HB2 GLN 30 HB2 GLN 30 6.174 -3.621 -22.790 205 HB3 GLN 30 HB3 GLN 30 5.388 -4.877 -21.844 206 HG2 GLN 30 HG2 GLN 30 3.267 -4.462 -22.923 207 HG3 GLN 30 HG3 GLN 30 3.887 -3.031 -23.734 208 HE21 GLN 30 HE21 GLN 30 5.177 -3.291 -25.556 209 HE22 GLN 30 HE22 GLN 30 5.330 -4.798 -26.383 210 H THR 31 H THR 31 4.524 -2.266 -18.756 211 HA THR 31 HA THR 31 1.640 -2.948 -18.736 212 HB THR 31 HB THR 31 2.707 -4.840 -17.624 213 HG1 THR 31 HG1 THR 31 1.613 -3.124 -15.617 214 HG21 THR 31 HG21 THR 31 4.064 -2.846 -15.781 215 HG22 THR 31 HG22 THR 31 4.863 -3.834 -17.006 216 HG23 THR 31 HG23 THR 31 4.108 -4.605 -15.609 217 H ASP 32 H ASP 32 3.506 -0.595 -18.924 218 HA ASP 32 HA ASP 32 3.020 1.047 -16.567 219 HB2 ASP 32 HB2 ASP 32 4.364 1.914 -19.175 220 HB3 ASP 32 HB3 ASP 32 4.595 2.577 -17.555 221 H VAL 33 H VAL 33 1.735 2.978 -16.660 222 HA VAL 33 HA VAL 33 -0.463 2.802 -18.582 223 HB VAL 33 HB VAL 33 -0.188 4.629 -16.155 224 HG11 VAL 33 HG11 VAL 33 -2.658 3.968 -17.820 225 HG12 VAL 33 HG12 VAL 33 -1.810 5.515 -17.802 226 HG13 VAL 33 HG13 VAL 33 -2.641 4.950 -16.353 227 HG21 VAL 33 HG21 VAL 33 -1.660 3.017 -14.993 228 HG22 VAL 33 HG22 VAL 33 -0.156 2.244 -15.501 229 HG23 VAL 33 HG23 VAL 33 -1.644 1.964 -16.411 230 H GLN 34 H GLN 34 1.114 3.409 -20.289 231 HA GLN 34 HA GLN 34 1.384 4.674 -22.100 232 HB2 GLN 34 HB2 GLN 34 -0.618 6.571 -20.848 233 HB3 GLN 34 HB3 GLN 34 -0.157 6.543 -22.550 234 HG2 GLN 34 HG2 GLN 34 -1.612 4.358 -21.023 235 HG3 GLN 34 HG3 GLN 34 -2.309 5.434 -22.235 236 HE21 GLN 34 HE21 GLN 34 -2.058 2.449 -22.093 237 HE22 GLN 34 HE22 GLN 34 -1.284 1.987 -23.570 238 H ASP 35 H ASP 35 1.159 7.258 -19.615 239 HA ASP 35 HA ASP 35 2.886 9.107 -20.699 240 HB2 ASP 35 HB2 ASP 35 1.365 9.549 -18.808 241 HB3 ASP 35 HB3 ASP 35 2.362 8.551 -17.747 242 H ARG 36 H ARG 36 5.023 9.762 -20.289 243 HA ARG 36 HA ARG 36 6.938 7.577 -20.033 244 HB2 ARG 36 HB2 ARG 36 8.620 9.142 -20.938 245 HB3 ARG 36 HB3 ARG 36 7.218 9.020 -21.984 246 HG2 ARG 36 HG2 ARG 36 7.601 11.332 -20.050 247 HG3 ARG 36 HG3 ARG 36 8.268 11.345 -21.682 248 HD2 ARG 36 HD2 ARG 36 6.037 11.218 -22.644 249 HD3 ARG 36 HD3 ARG 36 5.315 11.004 -21.051 250 HE ARG 36 HE ARG 36 6.775 13.454 -21.260 251 HH11 ARG 36 HH11 ARG 36 3.698 12.016 -21.975 252 HH12 ARG 36 HH12 ARG 36 2.891 13.543 -21.999 253 HH21 ARG 36 HH21 ARG 36 5.704 15.373 -21.303 254 HH22 ARG 36 HH22 ARG 36 4.007 15.404 -21.630 255 H GLY 37 H GLY 37 7.862 7.131 -18.159 256 HA2 GLY 37 HA2 GLY 37 9.565 8.104 -16.553 257 HA3 GLY 37 HA3 GLY 37 8.309 9.254 -16.121 258 H SER 38 H SER 38 8.867 8.372 -13.955 259 HA SER 38 HA SER 38 8.391 7.240 -12.058 260 HB2 SER 38 HB2 SER 38 5.944 6.234 -13.583 261 HB3 SER 38 HB3 SER 38 6.153 6.183 -11.832 262 HG SER 38 HG SER 38 5.815 8.428 -13.516 263 H HIS 39 H HIS 39 7.576 4.815 -11.296 264 HA HIS 39 HA HIS 39 8.851 2.741 -12.995 265 HB2 HIS 39 HB2 HIS 39 8.929 2.899 -9.944 266 HB3 HIS 39 HB3 HIS 39 9.562 1.572 -10.910 267 HD1 HIS 39 HD1 HIS 39 11.002 3.421 -13.068 268 HD2 HIS 39 HD2 HIS 39 11.377 3.763 -8.945 269 HE1 HIS 39 HE1 HIS 39 13.192 4.568 -12.694 270 HE2 HIS 39 HE2 HIS 39 13.249 5.004 -10.225 271 H THR 40 H THR 40 8.031 0.449 -12.066 272 HA THR 40 HA THR 40 5.122 0.589 -12.494 273 HB THR 40 HB THR 40 6.897 -1.897 -12.537 274 HG1 THR 40 HG1 THR 40 6.161 -0.148 -14.687 275 HG21 THR 40 HG21 THR 40 5.077 -2.862 -13.913 276 HG22 THR 40 HG22 THR 40 4.143 -1.376 -13.736 277 HG23 THR 40 HG23 THR 40 4.477 -2.382 -12.323 278 H VAL 41 H VAL 41 4.029 0.817 -10.597 279 HA VAL 41 HA VAL 41 4.435 -1.201 -8.446 280 HB VAL 41 HB VAL 41 3.530 1.699 -8.064 281 HG11 VAL 41 HG11 VAL 41 3.908 -0.501 -5.984 282 HG12 VAL 41 HG12 VAL 41 2.362 0.169 -6.508 283 HG13 VAL 41 HG13 VAL 41 3.510 1.182 -5.635 284 HG21 VAL 41 HG21 VAL 41 6.119 0.350 -7.173 285 HG22 VAL 41 HG22 VAL 41 5.635 1.998 -6.762 286 HG23 VAL 41 HG23 VAL 41 5.971 1.570 -8.443 287 H CYS 42 H CYS 42 2.728 -2.546 -8.362 288 HA CYS 42 HA CYS 42 -0.022 -1.448 -8.605 289 HB2 CYS 42 HB2 CYS 42 0.919 -4.287 -9.214 290 HB3 CYS 42 HB3 CYS 42 -0.758 -3.740 -9.253 291 HG CYS 42 HG CYS 42 -0.526 -3.522 -11.814 292 H ALA 43 H ALA 43 -0.636 -1.099 -6.567 293 HA ALA 43 HA ALA 43 -0.511 -3.263 -4.554 294 HB1 ALA 43 HB1 ALA 43 1.306 -1.668 -3.996 295 HB2 ALA 43 HB2 ALA 43 0.023 -1.605 -2.786 296 HB3 ALA 43 HB3 ALA 43 0.148 -0.334 -4.004 297 H GLU 44 H GLU 44 -2.362 -3.284 -3.168 298 HA GLU 44 HA GLU 44 -4.601 -1.593 -4.151 299 HB2 GLU 44 HB2 GLU 44 -4.463 -4.108 -4.897 300 HB3 GLU 44 HB3 GLU 44 -5.014 -4.467 -3.264 301 HG2 GLU 44 HG2 GLU 44 -7.008 -3.052 -3.673 302 HG3 GLU 44 HG3 GLU 44 -6.439 -2.765 -5.322 303 H MET 45 H MET 45 -5.102 -0.279 -2.557 304 HA MET 45 HA MET 45 -4.928 -1.009 0.272 305 HB2 MET 45 HB2 MET 45 -5.983 1.657 -0.811 306 HB3 MET 45 HB3 MET 45 -5.139 1.320 0.708 307 HG2 MET 45 HG2 MET 45 -3.811 1.103 -2.005 308 HG3 MET 45 HG3 MET 45 -3.779 2.560 -1.026 309 HE1 MET 45 HE1 MET 45 -1.573 1.634 1.962 310 HE2 MET 45 HE2 MET 45 -3.319 1.837 1.828 311 HE3 MET 45 HE3 MET 45 -2.234 2.949 0.990 312 H THR 46 H THR 46 -6.744 -1.486 1.549 313 HA THR 46 HA THR 46 -9.342 -1.773 0.247 314 HB THR 46 HB THR 46 -8.591 -3.489 1.934 315 HG1 THR 46 HG1 THR 46 -10.652 -3.850 2.314 316 HG21 THR 46 HG21 THR 46 -7.565 -2.001 3.626 317 HG22 THR 46 HG22 THR 46 -8.811 -3.016 4.340 318 HG23 THR 46 HG23 THR 46 -9.152 -1.321 3.994 319 H GLU 47 H GLU 47 -11.316 -0.886 1.297 320 HA GLU 47 HA GLU 47 -11.266 1.875 1.066 321 HB2 GLU 47 HB2 GLU 47 -13.272 0.377 0.738 322 HB3 GLU 47 HB3 GLU 47 -13.455 0.311 2.489 323 HG2 GLU 47 HG2 GLU 47 -13.778 2.769 2.543 324 HG3 GLU 47 HG3 GLU 47 -13.589 2.828 0.790 325 H GLU 48 H GLU 48 -10.901 -0.050 3.962 326 HA GLU 48 HA GLU 48 -11.691 1.754 5.945 327 HB2 GLU 48 HB2 GLU 48 -9.504 -0.344 6.190 328 HB3 GLU 48 HB3 GLU 48 -10.429 0.371 7.516 329 HG2 GLU 48 HG2 GLU 48 -11.453 -1.481 5.333 330 HG3 GLU 48 HG3 GLU 48 -11.274 -1.850 7.048 331 H PHE 49 H PHE 49 -8.466 1.461 4.375 332 HA PHE 49 HA PHE 49 -7.267 3.519 6.014 333 HB2 PHE 49 HB2 PHE 49 -5.755 1.886 5.057 334 HB3 PHE 49 HB3 PHE 49 -6.305 2.252 3.422 335 HD1 PHE 49 HD2 PHE 49 -4.829 4.048 6.397 336 HD2 PHE 49 HD1 PHE 49 -4.940 3.692 2.131 337 HE1 PHE 49 HE2 PHE 49 -3.154 5.839 6.200 338 HE2 PHE 49 HE1 PHE 49 -3.272 5.497 1.945 339 HZ PHE 49 HZ PHE 49 -2.376 6.571 3.977 340 H LEU 50 H LEU 50 -8.782 3.474 2.777 341 HA LEU 50 HA LEU 50 -8.159 6.202 2.139 342 HB2 LEU 50 HB2 LEU 50 -10.265 4.341 0.966 343 HB3 LEU 50 HB3 LEU 50 -9.945 5.947 0.363 344 HG LEU 50 HG LEU 50 -7.525 5.163 -0.056 345 HD11 LEU 50 HD11 LEU 50 -7.568 3.118 1.261 346 HD12 LEU 50 HD12 LEU 50 -7.202 2.780 -0.429 347 HD13 LEU 50 HD13 LEU 50 -8.814 2.442 0.206 348 HD21 LEU 50 HD21 LEU 50 -8.096 4.218 -2.254 349 HD22 LEU 50 HD22 LEU 50 -9.107 5.612 -1.875 350 HD23 LEU 50 HD23 LEU 50 -9.766 3.980 -1.727 351 H LEU 51 H LEU 51 -10.689 4.697 3.987 352 HA LEU 51 HA LEU 51 -12.358 6.999 4.386 353 HB2 LEU 51 HB2 LEU 51 -12.084 4.395 5.932 354 HB3 LEU 51 HB3 LEU 51 -13.266 5.631 6.322 355 HG LEU 51 HG LEU 51 -13.171 4.065 3.720 356 HD11 LEU 51 HD11 LEU 51 -13.846 2.646 5.594 357 HD12 LEU 51 HD12 LEU 51 -15.207 2.949 4.517 358 HD13 LEU 51 HD13 LEU 51 -15.095 3.810 6.056 359 HD21 LEU 51 HD21 LEU 51 -15.347 5.105 3.219 360 HD22 LEU 51 HD22 LEU 51 -14.071 6.312 3.354 361 HD23 LEU 51 HD23 LEU 51 -15.220 6.095 4.678 362 H PHE 52 H PHE 52 -9.760 5.381 6.282 363 HA PHE 52 HA PHE 52 -9.570 7.145 8.452 364 HB2 PHE 52 HB2 PHE 52 -8.307 5.081 8.496 365 HB3 PHE 52 HB3 PHE 52 -7.430 5.504 7.031 366 HD1 PHE 52 HD1 PHE 52 -7.929 6.649 10.578 367 HD2 PHE 52 HD2 PHE 52 -5.270 6.486 7.218 368 HE1 PHE 52 HE1 PHE 52 -6.130 7.625 11.942 369 HE2 PHE 52 HE2 PHE 52 -3.481 7.461 8.600 370 HZ PHE 52 HZ PHE 52 -3.910 8.029 10.960 371 H SER 53 H SER 53 -8.241 7.413 5.192 372 HA SER 53 HA SER 53 -6.482 9.601 5.609 373 HB2 SER 53 HB2 SER 53 -6.284 8.029 3.698 374 HB3 SER 53 HB3 SER 53 -7.792 8.649 3.028 375 HG SER 53 HG SER 53 -5.276 9.901 3.223 376 H ARG 54 H ARG 54 -9.869 9.450 4.469 377 HA ARG 54 HA ARG 54 -10.058 12.306 4.040 378 HB2 ARG 54 HB2 ARG 54 -12.437 11.901 3.548 379 HB3 ARG 54 HB3 ARG 54 -11.382 10.834 2.634 380 HG2 ARG 54 HG2 ARG 54 -11.979 8.944 3.988 381 HG3 ARG 54 HG3 ARG 54 -12.812 9.961 5.162 382 HD2 ARG 54 HD2 ARG 54 -13.673 9.414 2.302 383 HD3 ARG 54 HD3 ARG 54 -14.454 8.821 3.771 384 HE ARG 54 HE ARG 54 -14.789 11.374 2.538 385 HH11 ARG 54 HH11 ARG 54 -14.927 9.848 5.655 386 HH12 ARG 54 HH12 ARG 54 -15.982 11.060 6.291 387 HH21 ARG 54 HH21 ARG 54 -16.118 12.900 3.424 388 HH22 ARG 54 HH22 ARG 54 -16.629 12.744 5.068 389 H ASP 55 H ASP 55 -11.328 10.084 6.557 390 HA ASP 55 HA ASP 55 -12.769 12.041 8.046 391 HB2 ASP 55 HB2 ASP 55 -11.866 9.211 8.703 392 HB3 ASP 55 HB3 ASP 55 -12.782 10.189 9.844 393 H ARG 56 H ARG 56 -9.379 11.188 8.059 394 HA ARG 56 HA ARG 56 -8.706 12.103 10.683 395 HB2 ARG 56 HB2 ARG 56 -7.241 10.630 9.263 396 HB3 ARG 56 HB3 ARG 56 -6.912 12.010 8.217 397 HG2 ARG 56 HG2 ARG 56 -5.851 13.191 10.129 398 HG3 ARG 56 HG3 ARG 56 -6.181 11.800 11.167 399 HD2 ARG 56 HD2 ARG 56 -3.858 11.763 10.421 400 HD3 ARG 56 HD3 ARG 56 -4.730 10.398 9.721 401 HE ARG 56 HE ARG 56 -4.848 12.444 7.856 402 HH11 ARG 56 HH11 ARG 56 -2.275 10.650 9.332 403 HH12 ARG 56 HH12 ARG 56 -1.281 10.745 7.928 404 HH21 ARG 56 HH21 ARG 56 -3.548 12.581 6.119 405 HH22 ARG 56 HH22 ARG 56 -1.984 11.850 6.134 406 H GLY 57 H GLY 57 -9.173 13.762 7.597 407 HA2 GLY 57 HA2 GLY 57 -8.324 16.356 8.809 408 HA3 GLY 57 HA3 GLY 57 -8.080 15.949 7.120 409 H ASN 58 H ASN 58 -9.993 15.768 5.746 410 HA ASN 58 HA ASN 58 -12.462 17.017 6.703 411 HB2 ASN 58 HB2 ASN 58 -12.459 18.493 4.571 412 HB3 ASN 58 HB3 ASN 58 -11.420 18.983 5.901 413 HD21 ASN 58 HD21 ASN 58 -9.147 18.701 5.681 414 HD22 ASN 58 HD22 ASN 58 -8.409 18.539 4.129 415 H ASP 59 H ASP 59 -11.419 16.257 3.349 416 HA ASP 59 HA ASP 59 -12.570 13.688 3.241 417 HB2 ASP 59 HB2 ASP 59 -14.470 14.075 1.744 418 HB3 ASP 59 HB3 ASP 59 -14.711 14.918 3.261 419 H LEU 60 H LEU 60 -11.278 12.653 1.831 420 HA LEU 60 HA LEU 60 -10.220 14.024 -0.570 421 HB2 LEU 60 HB2 LEU 60 -9.122 11.600 0.913 422 HB3 LEU 60 HB3 LEU 60 -8.449 12.242 -0.580 423 HG LEU 60 HG LEU 60 -8.507 13.662 2.117 424 HD11 LEU 60 HD11 LEU 60 -6.869 11.863 2.058 425 HD12 LEU 60 HD12 LEU 60 -6.073 13.432 2.096 426 HD13 LEU 60 HD13 LEU 60 -6.155 12.522 0.583 427 HD21 LEU 60 HD21 LEU 60 -7.157 15.438 1.064 428 HD22 LEU 60 HD22 LEU 60 -8.749 15.312 0.323 429 HD23 LEU 60 HD23 LEU 60 -7.337 14.655 -0.511 430 H MET 61 H MET 61 -10.960 10.602 0.355 431 HA MET 61 HA MET 61 -11.916 9.982 -2.314 432 HB2 MET 61 HB2 MET 61 -10.672 8.297 -0.932 433 HB3 MET 61 HB3 MET 61 -12.020 8.248 0.196 434 HG2 MET 61 HG2 MET 61 -13.476 7.522 -1.786 435 HG3 MET 61 HG3 MET 61 -11.973 7.310 -2.684 436 HE1 MET 61 HE1 MET 61 -14.206 6.067 0.292 437 HE2 MET 61 HE2 MET 61 -12.740 6.558 1.144 438 HE3 MET 61 HE3 MET 61 -13.170 4.853 1.046 439 H THR 62 H THR 62 -13.692 11.282 -2.642 440 HA THR 62 HA THR 62 -16.238 10.529 -1.374 441 HB THR 62 HB THR 62 -16.814 13.114 -1.363 442 HG1 THR 62 HG1 THR 62 -14.840 14.341 -0.804 443 HG21 THR 62 HG21 THR 62 -16.714 11.771 0.701 444 HG22 THR 62 HG22 THR 62 -16.037 13.382 0.953 445 HG23 THR 62 HG23 THR 62 -14.962 11.994 0.771 446 HA PRO 63 HA PRO 63 -17.941 11.052 -5.578 447 HB2 PRO 63 HB2 PRO 63 -20.348 12.371 -5.108 448 HB3 PRO 63 HB3 PRO 63 -20.106 10.634 -4.867 449 HG2 PRO 63 HG2 PRO 63 -19.966 12.870 -2.837 450 HG3 PRO 63 HG3 PRO 63 -20.798 11.301 -2.715 451 HD2 PRO 63 HD2 PRO 63 -18.428 11.637 -1.537 452 HD3 PRO 63 HD3 PRO 63 -18.783 10.111 -2.380 453 H ARG 64 H ARG 64 -16.201 12.459 -6.151 454 HA ARG 64 HA ARG 64 -16.945 15.307 -6.551 455 HB2 ARG 64 HB2 ARG 64 -14.124 14.165 -6.249 456 HB3 ARG 64 HB3 ARG 64 -14.541 15.863 -6.464 457 HG2 ARG 64 HG2 ARG 64 -15.167 14.138 -4.037 458 HG3 ARG 64 HG3 ARG 64 -13.937 15.402 -4.136 459 HD2 ARG 64 HD2 ARG 64 -15.627 17.119 -4.336 460 HD3 ARG 64 HD3 ARG 64 -16.911 15.915 -4.508 461 HE ARG 64 HE ARG 64 -15.335 16.282 -2.022 462 HH11 ARG 64 HH11 ARG 64 -18.384 15.648 -3.566 463 HH12 ARG 64 HH12 ARG 64 -19.236 15.607 -2.065 464 HH21 ARG 64 HH21 ARG 64 -16.466 16.166 -0.137 465 HH22 ARG 64 HH22 ARG 64 -18.171 15.894 -0.164 466 HA PRO 65 HA PRO 65 -16.596 12.826 -10.519 467 HB2 PRO 65 HB2 PRO 65 -18.778 13.787 -11.840 468 HB3 PRO 65 HB3 PRO 65 -18.908 12.578 -10.555 469 HG2 PRO 65 HG2 PRO 65 -19.339 15.563 -10.396 470 HG3 PRO 65 HG3 PRO 65 -20.338 14.255 -9.723 471 HD2 PRO 65 HD2 PRO 65 -18.529 15.656 -8.218 472 HD3 PRO 65 HD3 PRO 65 -18.934 13.960 -7.882 473 H GLU 66 H GLU 66 -17.109 16.328 -10.297 474 HA GLU 66 HA GLU 66 -15.820 16.859 -12.893 475 HB2 GLU 66 HB2 GLU 66 -17.297 18.700 -10.960 476 HB3 GLU 66 HB3 GLU 66 -16.653 19.186 -12.530 477 HG2 GLU 66 HG2 GLU 66 -18.191 17.630 -13.661 478 HG3 GLU 66 HG3 GLU 66 -18.810 17.091 -12.096 479 H PHE 67 H PHE 67 -14.842 16.496 -9.729 480 HA PHE 67 HA PHE 67 -12.702 18.552 -9.829 481 HB2 PHE 67 HB2 PHE 67 -13.732 17.016 -7.392 482 HB3 PHE 67 HB3 PHE 67 -12.608 18.371 -7.381 483 HD1 PHE 67 HD1 PHE 67 -13.456 20.681 -8.083 484 HD2 PHE 67 HD2 PHE 67 -16.099 17.396 -7.348 485 HE1 PHE 67 HE1 PHE 67 -15.345 22.242 -7.854 486 HE2 PHE 67 HE2 PHE 67 -17.980 18.966 -7.120 487 HZ PHE 67 HZ PHE 67 -17.604 21.387 -7.378 488 H ASN 68 H ASN 68 -13.364 15.121 -9.596 489 HA ASN 68 HA ASN 68 -10.585 14.369 -9.971 490 HB2 ASN 68 HB2 ASN 68 -10.721 14.623 -7.502 491 HB3 ASN 68 HB3 ASN 68 -12.102 13.540 -7.443 492 HD21 ASN 68 HD21 ASN 68 -11.749 11.303 -7.726 493 HD22 ASN 68 HD22 ASN 68 -10.178 10.608 -7.591 494 H PHE 69 H PHE 69 -11.217 13.359 -11.888 495 HA PHE 69 HA PHE 69 -13.372 11.472 -12.049 496 HB2 PHE 69 HB2 PHE 69 -12.710 12.775 -14.032 497 HB3 PHE 69 HB3 PHE 69 -11.122 12.017 -14.035 498 HD1 PHE 69 HD2 PHE 69 -14.780 11.258 -14.377 499 HD2 PHE 69 HD1 PHE 69 -10.787 9.966 -15.236 500 HE1 PHE 69 HE2 PHE 69 -15.663 9.456 -15.801 501 HE2 PHE 69 HE1 PHE 69 -11.684 8.164 -16.655 502 HZ PHE 69 HZ PHE 69 -14.121 7.909 -16.939 503 HA PRO 70 HA PRO 70 -10.122 8.047 -11.455 504 HB2 PRO 70 HB2 PRO 70 -7.393 8.548 -11.495 505 HB3 PRO 70 HB3 PRO 70 -8.365 8.213 -12.929 506 HG2 PRO 70 HG2 PRO 70 -7.082 10.721 -12.179 507 HG3 PRO 70 HG3 PRO 70 -7.937 10.322 -13.681 508 HD2 PRO 70 HD2 PRO 70 -8.934 11.776 -11.283 509 HD3 PRO 70 HD3 PRO 70 -9.559 11.787 -12.946 510 H GLY 71 H GLY 71 -7.435 9.763 -9.916 511 HA2 GLY 71 HA2 GLY 71 -6.874 10.211 -7.755 512 HA3 GLY 71 HA3 GLY 71 -8.565 10.122 -7.318 513 H LEU 72 H LEU 72 -8.035 7.207 -8.695 514 HA LEU 72 HA LEU 72 -7.975 5.094 -7.990 515 HB2 LEU 72 HB2 LEU 72 -5.804 6.219 -6.218 516 HB3 LEU 72 HB3 LEU 72 -6.313 4.555 -6.010 517 HG LEU 72 HG LEU 72 -4.355 4.575 -7.409 518 HD11 LEU 72 HD11 LEU 72 -6.045 2.893 -7.928 519 HD12 LEU 72 HD12 LEU 72 -5.167 3.373 -9.375 520 HD13 LEU 72 HD13 LEU 72 -6.803 3.977 -9.101 521 HD21 LEU 72 HD21 LEU 72 -4.230 5.710 -9.582 522 HD22 LEU 72 HD22 LEU 72 -4.452 6.869 -8.274 523 HD23 LEU 72 HD23 LEU 72 -5.817 6.444 -9.313 524 H LYS 73 H LYS 73 -9.848 4.373 -7.237 525 HA LYS 73 HA LYS 73 -10.675 5.001 -4.481 526 HB2 LYS 73 HB2 LYS 73 -12.872 3.950 -5.099 527 HB3 LYS 73 HB3 LYS 73 -12.459 5.357 -6.056 528 HG2 LYS 73 HG2 LYS 73 -13.356 3.933 -7.658 529 HG3 LYS 73 HG3 LYS 73 -11.629 3.655 -7.841 530 HD2 LYS 73 HD2 LYS 73 -12.620 1.510 -7.962 531 HD3 LYS 73 HD3 LYS 73 -11.939 1.584 -6.342 532 HE2 LYS 73 HE2 LYS 73 -14.861 2.067 -7.017 533 HE3 LYS 73 HE3 LYS 73 -14.211 0.533 -6.453 534 HZ1 LYS 73 HZ1 LYS 73 -14.293 3.087 -4.945 535 HZ2 LYS 73 HZ2 LYS 73 -13.538 1.676 -4.399 536 HZ3 LYS 73 HZ3 LYS 73 -15.207 1.697 -4.652 537 H ALA 74 H ALA 74 -11.682 3.096 -3.289 538 HA ALA 74 HA ALA 74 -9.634 1.300 -2.619 539 HB1 ALA 74 HB1 ALA 74 -11.354 2.065 -1.057 540 HB2 ALA 74 HB2 ALA 74 -11.280 0.303 -1.105 541 HB3 ALA 74 HB3 ALA 74 -12.581 1.156 -1.945 542 H GLY 75 H GLY 75 -9.029 -0.621 -3.414 543 HA2 GLY 75 HA2 GLY 75 -9.342 -2.818 -4.232 544 HA3 GLY 75 HA3 GLY 75 -10.870 -2.359 -4.938 545 H ASP 76 H ASP 76 -8.704 0.056 -5.803 546 HA ASP 76 HA ASP 76 -8.052 -1.226 -8.373 547 HB2 ASP 76 HB2 ASP 76 -7.858 1.667 -7.466 548 HB3 ASP 76 HB3 ASP 76 -7.327 1.100 -9.047 549 H ARG 77 H ARG 77 -6.203 -2.455 -8.217 550 HA ARG 77 HA ARG 77 -3.736 -1.319 -7.080 551 HB2 ARG 77 HB2 ARG 77 -2.727 -3.524 -7.773 552 HB3 ARG 77 HB3 ARG 77 -4.089 -3.675 -6.669 553 HG2 ARG 77 HG2 ARG 77 -5.564 -4.201 -8.630 554 HG3 ARG 77 HG3 ARG 77 -4.135 -4.177 -9.663 555 HD2 ARG 77 HD2 ARG 77 -3.166 -6.010 -8.238 556 HD3 ARG 77 HD3 ARG 77 -4.707 -6.086 -7.375 557 HE ARG 77 HE ARG 77 -4.194 -6.889 -10.158 558 HH11 ARG 77 HH11 ARG 77 -6.518 -6.633 -7.582 559 HH12 ARG 77 HH12 ARG 77 -7.601 -7.757 -8.328 560 HH21 ARG 77 HH21 ARG 77 -5.596 -8.294 -11.073 561 HH22 ARG 77 HH22 ARG 77 -7.076 -8.689 -10.275 562 H TRP 78 H TRP 78 -3.284 0.450 -8.385 563 HA TRP 78 HA TRP 78 -2.350 0.150 -11.110 564 HB2 TRP 78 HB2 TRP 78 -4.845 -0.069 -11.376 565 HB3 TRP 78 HB3 TRP 78 -5.056 1.494 -10.609 566 HD1 TRP 78 HD1 TRP 78 -3.754 -0.060 -13.908 567 HE1 TRP 78 HE1 TRP 78 -3.953 1.713 -15.761 568 HE3 TRP 78 HE3 TRP 78 -5.159 3.975 -11.077 569 HZ2 TRP 78 HZ2 TRP 78 -4.617 4.430 -16.004 570 HZ3 TRP 78 HZ3 TRP 78 -5.557 6.129 -12.202 571 HH2 TRP 78 HH2 TRP 78 -5.288 6.350 -14.625 572 H CYS 79 H CYS 79 -0.722 1.651 -11.143 573 HA CYS 79 HA CYS 79 0.589 3.469 -10.696 574 HB2 CYS 79 HB2 CYS 79 -2.089 4.878 -11.036 575 HB3 CYS 79 HB3 CYS 79 -0.524 5.688 -11.072 576 HG CYS 79 HG CYS 79 -0.208 5.430 -13.583 577 H LEU 80 H LEU 80 -0.586 2.189 -8.240 578 HA LEU 80 HA LEU 80 -1.705 4.025 -6.440 579 HB2 LEU 80 HB2 LEU 80 -1.932 1.550 -6.250 580 HB3 LEU 80 HB3 LEU 80 -0.235 1.412 -5.832 581 HG LEU 80 HG LEU 80 -1.990 1.176 -3.950 582 HD11 LEU 80 HD11 LEU 80 0.273 3.128 -3.459 583 HD12 LEU 80 HD12 LEU 80 0.377 1.368 -3.390 584 HD13 LEU 80 HD13 LEU 80 -0.613 2.236 -2.219 585 HD21 LEU 80 HD21 LEU 80 -2.834 3.217 -2.916 586 HD22 LEU 80 HD22 LEU 80 -3.398 3.062 -4.578 587 HD23 LEU 80 HD23 LEU 80 -2.094 4.190 -4.191 588 H CYS 81 H CYS 81 1.629 3.427 -7.221 589 HA CYS 81 HA CYS 81 3.629 4.174 -6.553 590 HB2 CYS 81 HB2 CYS 81 2.804 6.455 -6.742 591 HB3 CYS 81 HB3 CYS 81 2.083 6.376 -5.137 592 HG CYS 81 HG CYS 81 4.225 7.907 -4.632 593 H ALA 82 H ALA 82 4.798 3.009 -5.238 594 HA ALA 82 HA ALA 82 3.770 1.527 -3.107 595 HB1 ALA 82 HB1 ALA 82 5.641 0.825 -4.525 596 HB2 ALA 82 HB2 ALA 82 6.069 0.734 -2.820 597 HB3 ALA 82 HB3 ALA 82 6.665 2.066 -3.807 598 H SER 83 H SER 83 5.462 4.619 -3.050 599 HA SER 83 HA SER 83 6.152 4.774 -0.306 600 HB2 SER 83 HB2 SER 83 7.089 6.302 -1.993 601 HB3 SER 83 HB3 SER 83 5.502 7.009 -2.265 602 HG SER 83 HG SER 83 6.459 7.009 0.358 603 H ARG 84 H ARG 84 3.123 5.508 -1.988 604 HA ARG 84 HA ARG 84 1.733 6.821 0.115 605 HB2 ARG 84 HB2 ARG 84 1.006 6.918 -2.245 606 HB3 ARG 84 HB3 ARG 84 0.656 5.191 -2.227 607 HG2 ARG 84 HG2 ARG 84 -1.146 5.574 -0.573 608 HG3 ARG 84 HG3 ARG 84 -0.788 7.306 -0.579 609 HD2 ARG 84 HD2 ARG 84 -1.742 5.687 -2.976 610 HD3 ARG 84 HD3 ARG 84 -2.754 6.742 -1.986 611 HE ARG 84 HE ARG 84 -0.668 8.309 -2.895 612 HH11 ARG 84 HH11 ARG 84 -3.219 6.521 -4.430 613 HH12 ARG 84 HH12 ARG 84 -3.302 7.606 -5.770 614 HH21 ARG 84 HH21 ARG 84 -0.814 9.681 -4.597 615 HH22 ARG 84 HH22 ARG 84 -1.962 9.385 -5.857 616 H TRP 85 H TRP 85 1.937 3.384 -0.821 617 HA TRP 85 HA TRP 85 0.137 2.398 1.170 618 HB2 TRP 85 HB2 TRP 85 0.228 0.754 -0.418 619 HB3 TRP 85 HB3 TRP 85 1.837 1.219 -0.953 620 HD1 TRP 85 HD1 TRP 85 3.610 -0.522 -0.518 621 HE1 TRP 85 HE1 TRP 85 3.995 -2.443 1.155 622 HE3 TRP 85 HE3 TRP 85 -0.664 -0.094 2.250 623 HZ2 TRP 85 HZ2 TRP 85 2.653 -3.644 3.314 624 HZ3 TRP 85 HZ3 TRP 85 -1.041 -1.672 4.094 625 HH2 TRP 85 HH2 TRP 85 0.585 -3.414 4.620 626 H GLN 86 H GLN 86 3.695 2.446 0.980 627 HA GLN 86 HA GLN 86 4.395 1.335 3.418 628 HB2 GLN 86 HB2 GLN 86 6.011 1.849 1.678 629 HB3 GLN 86 HB3 GLN 86 5.709 3.567 1.818 630 HG2 GLN 86 HG2 GLN 86 7.869 2.875 2.777 631 HG3 GLN 86 HG3 GLN 86 6.831 3.671 3.964 632 HE21 GLN 86 HE21 GLN 86 5.990 2.377 5.677 633 HE22 GLN 86 HE22 GLN 86 6.609 0.816 6.041 634 H GLU 87 H GLU 87 3.501 4.694 2.721 635 HA GLU 87 HA GLU 87 3.994 5.788 5.276 636 HB2 GLU 87 HB2 GLU 87 3.758 7.099 3.168 637 HB3 GLU 87 HB3 GLU 87 2.025 6.795 3.187 638 HG2 GLU 87 HG2 GLU 87 1.759 8.096 5.213 639 HG3 GLU 87 HG3 GLU 87 3.507 8.239 5.404 640 H ALA 88 H ALA 88 1.284 3.908 4.107 641 HA ALA 88 HA ALA 88 -0.657 4.634 6.084 642 HB1 ALA 88 HB1 ALA 88 -0.420 2.041 4.518 643 HB2 ALA 88 HB2 ALA 88 -1.252 3.499 3.973 644 HB3 ALA 88 HB3 ALA 88 -1.856 2.622 5.379 645 H PHE 89 H PHE 89 1.798 2.033 5.905 646 HA PHE 89 HA PHE 89 1.288 0.813 8.427 647 HB2 PHE 89 HB2 PHE 89 2.643 -0.256 6.654 648 HB3 PHE 89 HB3 PHE 89 3.877 0.984 6.820 649 HD1 PHE 89 HD2 PHE 89 2.360 -2.004 8.430 650 HD2 PHE 89 HD1 PHE 89 5.519 0.881 8.641 651 HE1 PHE 89 HE2 PHE 89 3.528 -3.390 10.088 652 HE2 PHE 89 HE1 PHE 89 6.681 -0.521 10.300 653 HZ PHE 89 HZ PHE 89 5.684 -2.656 11.023 654 H GLU 90 H GLU 90 3.468 3.426 7.420 655 HA GLU 90 HA GLU 90 4.690 3.945 9.951 656 HB2 GLU 90 HB2 GLU 90 4.379 5.808 7.550 657 HB3 GLU 90 HB3 GLU 90 5.538 6.001 8.867 658 HG2 GLU 90 HG2 GLU 90 6.693 3.951 8.186 659 HG3 GLU 90 HG3 GLU 90 5.502 3.669 6.918 660 H ALA 91 H ALA 91 1.659 4.945 8.539 661 HA ALA 91 HA ALA 91 1.021 6.996 10.498 662 HB1 ALA 91 HB1 ALA 91 -1.180 7.041 9.399 663 HB2 ALA 91 HB2 ALA 91 -0.773 5.584 8.485 664 HB3 ALA 91 HB3 ALA 91 0.114 7.083 8.198 665 H GLY 92 H GLY 92 1.212 3.676 10.748 666 HA2 GLY 92 HA2 GLY 92 0.606 2.206 12.414 667 HA3 GLY 92 HA3 GLY 92 -0.276 3.505 13.206 668 H MET 93 H MET 93 -0.708 2.170 9.933 669 HA MET 93 HA MET 93 -3.377 1.099 10.672 670 HB2 MET 93 HB2 MET 93 -2.720 2.747 8.185 671 HB3 MET 93 HB3 MET 93 -4.242 1.912 8.452 672 HG2 MET 93 HG2 MET 93 -3.405 3.882 10.529 673 HG3 MET 93 HG3 MET 93 -3.923 4.511 8.972 674 HE1 MET 93 HE1 MET 93 -5.341 1.353 11.100 675 HE2 MET 93 HE2 MET 93 -6.695 2.171 11.877 676 HE3 MET 93 HE3 MET 93 -5.041 2.640 12.269 677 H ALA 94 H ALA 94 -1.560 1.245 7.596 678 HA ALA 94 HA ALA 94 -1.050 -0.256 6.003 679 HB1 ALA 94 HB1 ALA 94 0.058 -2.339 6.664 680 HB2 ALA 94 HB2 ALA 94 -0.526 -2.143 8.319 681 HB3 ALA 94 HB3 ALA 94 0.621 -0.985 7.646 682 HA PRO 95 HA PRO 95 -5.065 -2.572 5.613 683 HB2 PRO 95 HB2 PRO 95 -5.529 -1.900 3.010 684 HB3 PRO 95 HB3 PRO 95 -5.934 -0.812 4.348 685 HG2 PRO 95 HG2 PRO 95 -3.481 -0.803 2.585 686 HG3 PRO 95 HG3 PRO 95 -4.541 0.555 3.025 687 HD2 PRO 95 HD2 PRO 95 -2.195 0.107 4.313 688 HD3 PRO 95 HD3 PRO 95 -3.614 0.759 5.166 689 HA PRO 96 HA PRO 96 -3.204 -6.248 3.683 690 HB2 PRO 96 HB2 PRO 96 -5.901 -6.777 2.445 691 HB3 PRO 96 HB3 PRO 96 -4.896 -7.830 3.454 692 HG2 PRO 96 HG2 PRO 96 -7.065 -6.664 4.486 693 HG3 PRO 96 HG3 PRO 96 -5.575 -6.783 5.448 694 HD2 PRO 96 HD2 PRO 96 -6.673 -4.400 3.942 695 HD3 PRO 96 HD3 PRO 96 -5.956 -4.470 5.571 696 H VAL 97 H VAL 97 -1.798 -5.829 2.065 697 HA VAL 97 HA VAL 97 -2.643 -4.602 -0.471 698 HB VAL 97 HB VAL 97 -0.751 -3.548 0.655 699 HG11 VAL 97 HG11 VAL 97 0.694 -6.212 0.481 700 HG12 VAL 97 HG12 VAL 97 0.093 -5.441 1.950 701 HG13 VAL 97 HG13 VAL 97 1.402 -4.690 1.036 702 HG21 VAL 97 HG21 VAL 97 -0.668 -3.484 -1.809 703 HG22 VAL 97 HG22 VAL 97 0.230 -5.005 -1.839 704 HG23 VAL 97 HG23 VAL 97 0.968 -3.562 -1.140 705 H VAL 98 H VAL 98 -2.064 -5.483 -2.499 706 HA VAL 98 HA VAL 98 -2.551 -8.323 -2.672 707 HB VAL 98 HB VAL 98 -3.838 -6.756 -4.026 708 HG11 VAL 98 HG11 VAL 98 -2.891 -5.510 -5.925 709 HG12 VAL 98 HG12 VAL 98 -1.272 -6.063 -5.496 710 HG13 VAL 98 HG13 VAL 98 -2.157 -4.999 -4.401 711 HG21 VAL 98 HG21 VAL 98 -3.702 -7.876 -6.216 712 HG22 VAL 98 HG22 VAL 98 -3.585 -9.037 -4.891 713 HG23 VAL 98 HG23 VAL 98 -2.133 -8.558 -5.775 714 H LEU 99 H LEU 99 -0.676 -9.428 -2.090 715 HA LEU 99 HA LEU 99 1.940 -8.853 -3.111 716 HB2 LEU 99 HB2 LEU 99 0.763 -10.931 -1.309 717 HB3 LEU 99 HB3 LEU 99 2.253 -11.385 -2.101 718 HG LEU 99 HG LEU 99 2.531 -10.399 0.231 719 HD11 LEU 99 HD11 LEU 99 4.418 -10.486 -1.346 720 HD12 LEU 99 HD12 LEU 99 4.493 -9.036 -0.348 721 HD13 LEU 99 HD13 LEU 99 3.949 -8.922 -2.025 722 HD21 LEU 99 HD21 LEU 99 1.817 -7.778 -1.128 723 HD22 LEU 99 HD22 LEU 99 2.344 -8.004 0.544 724 HD23 LEU 99 HD23 LEU 99 0.792 -8.646 0.015 725 H GLN 100 H GLN 100 -0.643 -10.804 -4.389 726 HA GLN 100 HA GLN 100 0.951 -12.449 -6.134 727 HB2 GLN 100 HB2 GLN 100 -1.162 -13.054 -7.220 728 HB3 GLN 100 HB3 GLN 100 -1.338 -13.108 -5.470 729 HG2 GLN 100 HG2 GLN 100 -2.580 -11.043 -5.460 730 HG3 GLN 100 HG3 GLN 100 -2.242 -10.760 -7.165 731 HE21 GLN 100 HE21 GLN 100 -4.432 -10.602 -7.656 732 HE22 GLN 100 HE22 GLN 100 -5.481 -11.970 -7.687 733 H SER 101 H SER 101 0.051 -9.132 -6.309 734 HA SER 101 HA SER 101 0.577 -9.017 -9.236 735 HB2 SER 101 HB2 SER 101 -1.497 -7.454 -7.648 736 HB3 SER 101 HB3 SER 101 -1.077 -7.107 -9.329 737 HG SER 101 HG SER 101 -2.128 -8.848 -9.965 738 H THR 102 H THR 102 1.753 -7.986 -6.233 739 HA THR 102 HA THR 102 2.583 -5.321 -6.913 740 HB THR 102 HB THR 102 3.681 -7.172 -4.754 741 HG1 THR 102 HG1 THR 102 1.384 -5.954 -4.890 742 HG21 THR 102 HG21 THR 102 5.357 -5.449 -5.272 743 HG22 THR 102 HG22 THR 102 4.591 -5.093 -3.723 744 HG23 THR 102 HG23 THR 102 4.123 -4.189 -5.164 745 H GLU 103 H GLU 103 4.235 -4.660 -8.145 746 HA GLU 103 HA GLU 103 6.049 -6.560 -9.399 747 HB2 GLU 103 HB2 GLU 103 4.867 -4.783 -10.693 748 HB3 GLU 103 HB3 GLU 103 5.742 -3.552 -9.799 749 HG2 GLU 103 HG2 GLU 103 6.734 -3.829 -11.991 750 HG3 GLU 103 HG3 GLU 103 7.872 -4.373 -10.757 751 H LYS 104 H LYS 104 8.375 -6.167 -9.549 752 HA LYS 104 HA LYS 104 9.683 -6.117 -7.080 753 HB2 LYS 104 HB2 LYS 104 10.462 -7.290 -9.148 754 HB3 LYS 104 HB3 LYS 104 10.869 -5.742 -9.867 755 HG2 LYS 104 HG2 LYS 104 12.857 -6.939 -9.027 756 HG3 LYS 104 HG3 LYS 104 12.630 -5.382 -8.225 757 HD2 LYS 104 HD2 LYS 104 13.272 -7.090 -6.591 758 HD3 LYS 104 HD3 LYS 104 11.635 -6.517 -6.277 759 HE2 LYS 104 HE2 LYS 104 11.726 -8.933 -5.979 760 HE3 LYS 104 HE3 LYS 104 10.738 -8.567 -7.394 761 HZ1 LYS 104 HZ1 LYS 104 13.585 -9.403 -7.455 762 HZ2 LYS 104 HZ2 LYS 104 12.609 -9.115 -8.802 763 HZ3 LYS 104 HZ3 LYS 104 12.265 -10.410 -7.776 764 H SER 105 H SER 105 9.198 -3.476 -9.377 765 HA SER 105 HA SER 105 11.068 -1.598 -8.405 766 HB2 SER 105 HB2 SER 105 8.388 -1.116 -9.752 767 HB3 SER 105 HB3 SER 105 9.576 0.151 -9.447 768 HG SER 105 HG SER 105 10.271 -2.181 -10.885 769 H ALA 106 H ALA 106 7.911 -2.486 -7.119 770 HA ALA 106 HA ALA 106 7.436 -0.243 -5.434 771 HB1 ALA 106 HB1 ALA 106 6.424 -3.092 -5.137 772 HB2 ALA 106 HB2 ALA 106 5.663 -1.819 -6.093 773 HB3 ALA 106 HB3 ALA 106 5.751 -1.664 -4.337 774 H LEU 107 H LEU 107 9.377 -3.129 -5.003 775 HA LEU 107 HA LEU 107 9.701 -3.079 -2.173 776 HB2 LEU 107 HB2 LEU 107 11.303 -4.373 -4.400 777 HB3 LEU 107 HB3 LEU 107 11.802 -4.498 -2.722 778 HG LEU 107 HG LEU 107 9.650 -5.647 -2.181 779 HD11 LEU 107 HD11 LEU 107 8.221 -6.550 -3.960 780 HD12 LEU 107 HD12 LEU 107 9.141 -5.652 -5.171 781 HD13 LEU 107 HD13 LEU 107 8.203 -4.786 -3.952 782 HD21 LEU 107 HD21 LEU 107 11.290 -6.989 -4.355 783 HD22 LEU 107 HD22 LEU 107 10.244 -7.806 -3.192 784 HD23 LEU 107 HD23 LEU 107 11.676 -6.950 -2.631 785 H ARG 108 H ARG 108 11.242 -1.269 -4.727 786 HA ARG 108 HA ARG 108 13.623 -0.486 -3.348 787 HB2 ARG 108 HB2 ARG 108 12.202 1.023 -5.583 788 HB3 ARG 108 HB3 ARG 108 13.896 1.179 -5.122 789 HG2 ARG 108 HG2 ARG 108 14.096 -1.332 -5.760 790 HG3 ARG 108 HG3 ARG 108 12.518 -1.131 -6.526 791 HD2 ARG 108 HD2 ARG 108 14.054 -0.794 -8.286 792 HD3 ARG 108 HD3 ARG 108 13.614 0.849 -7.809 793 HE ARG 108 HE ARG 108 16.087 -0.493 -6.865 794 HH11 ARG 108 HH11 ARG 108 14.583 2.379 -8.106 795 HH12 ARG 108 HH12 ARG 108 16.086 3.224 -8.206 796 HH21 ARG 108 HH21 ARG 108 17.959 0.619 -7.007 797 HH22 ARG 108 HH22 ARG 108 17.968 2.246 -7.590 798 H TYR 109 H TYR 109 10.345 0.483 -3.027 799 HA TYR 109 HA TYR 109 10.969 3.019 -1.640 800 HB2 TYR 109 HB2 TYR 109 8.282 1.887 -2.566 801 HB3 TYR 109 HB3 TYR 109 8.518 3.464 -1.824 802 HD1 TYR 109 HD1 TYR 109 9.621 1.446 -4.797 803 HD2 TYR 109 HD2 TYR 109 8.831 5.349 -3.239 804 HE1 TYR 109 HE1 TYR 109 9.984 2.400 -7.022 805 HE2 TYR 109 HE2 TYR 109 9.193 6.309 -5.475 806 HH TYR 109 HH TYR 109 10.420 5.690 -7.576 807 H VAL 110 H VAL 110 9.021 0.004 -1.179 808 HA VAL 110 HA VAL 110 8.664 0.694 1.682 809 HB VAL 110 HB VAL 110 6.605 -0.241 1.652 810 HG11 VAL 110 HG11 VAL 110 5.456 -0.359 -0.502 811 HG12 VAL 110 HG12 VAL 110 7.023 -0.307 -1.316 812 HG13 VAL 110 HG13 VAL 110 6.479 1.075 -0.357 813 HG21 VAL 110 HG21 VAL 110 7.323 -2.556 1.668 814 HG22 VAL 110 HG22 VAL 110 7.477 -2.549 -0.086 815 HG23 VAL 110 HG23 VAL 110 5.887 -2.364 0.661 816 H SER 111 H SER 111 10.013 -1.740 -0.399 817 HA SER 111 HA SER 111 11.202 -3.648 -0.173 818 HB2 SER 111 HB2 SER 111 12.569 -2.650 1.542 819 HB3 SER 111 HB3 SER 111 11.346 -2.904 2.767 820 HG SER 111 HG SER 111 13.062 -4.467 2.808 821 H LEU 112 H LEU 112 10.571 -5.758 -0.096 822 HA LEU 112 HA LEU 112 7.933 -6.440 0.069 823 HB2 LEU 112 HB2 LEU 112 9.424 -7.797 -1.160 824 HB3 LEU 112 HB3 LEU 112 10.410 -8.128 0.231 825 HG LEU 112 HG LEU 112 7.596 -9.209 0.233 826 HD11 LEU 112 HD11 LEU 112 8.261 -11.220 -0.995 827 HD12 LEU 112 HD12 LEU 112 9.845 -10.511 -1.331 828 HD13 LEU 112 HD13 LEU 112 8.385 -9.782 -2.009 829 HD21 LEU 112 HD21 LEU 112 10.229 -10.298 1.304 830 HD22 LEU 112 HD22 LEU 112 8.669 -11.118 1.428 831 HD23 LEU 112 HD23 LEU 112 8.916 -9.574 2.245 832 H ALA 113 H ALA 113 10.126 -6.375 2.812 833 HA ALA 113 HA ALA 113 8.742 -8.091 4.599 834 HB1 ALA 113 HB1 ALA 113 11.037 -7.286 4.981 835 HB2 ALA 113 HB2 ALA 113 10.010 -6.938 6.375 836 HB3 ALA 113 HB3 ALA 113 10.433 -5.650 5.238 837 H ASP 114 H ASP 114 8.247 -4.657 3.815 838 HA ASP 114 HA ASP 114 6.288 -4.113 5.837 839 HB2 ASP 114 HB2 ASP 114 7.728 -2.375 4.782 840 HB3 ASP 114 HB3 ASP 114 6.916 -2.647 3.252 841 H LEU 115 H LEU 115 6.115 -4.990 2.353 842 HA LEU 115 HA LEU 115 3.364 -4.971 1.882 843 HB2 LEU 115 HB2 LEU 115 5.443 -6.957 0.879 844 HB3 LEU 115 HB3 LEU 115 3.835 -6.762 0.190 845 HG LEU 115 HG LEU 115 5.947 -4.563 0.208 846 HD11 LEU 115 HD11 LEU 115 5.173 -6.397 -2.072 847 HD12 LEU 115 HD12 LEU 115 6.697 -6.451 -1.176 848 HD13 LEU 115 HD13 LEU 115 6.299 -5.033 -2.148 849 HD21 LEU 115 HD21 LEU 115 3.638 -3.742 0.049 850 HD22 LEU 115 HD22 LEU 115 3.353 -4.799 -1.336 851 HD23 LEU 115 HD23 LEU 115 4.528 -3.484 -1.451 852 H GLN 116 H GLN 116 5.372 -7.606 3.103 853 HA GLN 116 HA GLN 116 3.244 -9.506 3.447 854 HB2 GLN 116 HB2 GLN 116 6.152 -9.592 4.328 855 HB3 GLN 116 HB3 GLN 116 5.048 -10.962 4.302 856 HG2 GLN 116 HG2 GLN 116 4.936 -9.835 1.687 857 HG3 GLN 116 HG3 GLN 116 6.631 -9.828 2.134 858 HE21 GLN 116 HE21 GLN 116 5.070 -11.451 0.164 859 HE22 GLN 116 HE22 GLN 116 5.457 -13.084 0.528 860 H ALA 117 H ALA 117 4.807 -7.160 5.489 861 HA ALA 117 HA ALA 117 4.111 -7.980 8.058 862 HB1 ALA 117 HB1 ALA 117 5.459 -5.970 7.590 863 HB2 ALA 117 HB2 ALA 117 4.141 -5.612 8.709 864 HB3 ALA 117 HB3 ALA 117 4.018 -5.134 7.011 865 H HIS 118 H HIS 118 1.854 -6.998 5.531 866 HA HIS 118 HA HIS 118 -0.347 -7.566 7.419 867 HB2 HIS 118 HB2 HIS 118 0.095 -4.960 6.804 868 HB3 HIS 118 HB3 HIS 118 -0.899 -5.378 5.418 869 HD1 HIS 118 HD1 HIS 118 -1.053 -4.787 9.077 870 HD2 HIS 118 HD2 HIS 118 -3.591 -6.135 6.084 871 HE1 HIS 118 HE1 HIS 118 -3.347 -4.770 10.087 872 HE2 HIS 118 HE2 HIS 118 -4.808 -5.823 8.344 873 H ALA 119 H ALA 119 1.017 -8.959 4.993 874 HA ALA 119 HA ALA 119 -1.542 -10.025 3.969 875 HB1 ALA 119 HB1 ALA 119 0.768 -9.244 2.157 876 HB2 ALA 119 HB2 ALA 119 -0.790 -8.418 2.264 877 HB3 ALA 119 HB3 ALA 119 -0.709 -10.073 1.651 878 H LEU 120 H LEU 120 -0.697 -11.977 2.298 879 HA LEU 120 HA LEU 120 0.116 -14.005 4.083 880 HB2 LEU 120 HB2 LEU 120 0.097 -15.498 2.052 881 HB3 LEU 120 HB3 LEU 120 -1.367 -14.578 2.328 882 HG LEU 120 HG LEU 120 -0.450 -12.931 0.516 883 HD11 LEU 120 HD11 LEU 120 1.845 -13.760 0.341 884 HD12 LEU 120 HD12 LEU 120 1.008 -13.901 -1.202 885 HD13 LEU 120 HD13 LEU 120 1.258 -15.334 -0.201 886 HD21 LEU 120 HD21 LEU 120 -2.411 -14.351 0.175 887 HD22 LEU 120 HD22 LEU 120 -1.378 -15.702 -0.299 888 HD23 LEU 120 HD23 LEU 120 -1.451 -14.248 -1.301 889 HA PRO 121 HA PRO 121 4.612 -14.040 3.586 890 HB2 PRO 121 HB2 PRO 121 4.753 -16.867 4.373 891 HB3 PRO 121 HB3 PRO 121 5.182 -15.435 5.312 892 HG2 PRO 121 HG2 PRO 121 3.027 -17.038 5.905 893 HG3 PRO 121 HG3 PRO 121 3.108 -15.316 6.324 894 HD2 PRO 121 HD2 PRO 121 1.697 -16.634 3.999 895 HD3 PRO 121 HD3 PRO 121 1.139 -15.327 5.073 896 H VAL 122 H VAL 122 6.177 -14.652 2.048 897 HA VAL 122 HA VAL 122 5.361 -16.581 -0.037 898 HB VAL 122 HB VAL 122 6.008 -14.362 -0.893 899 HG11 VAL 122 HG11 VAL 122 7.609 -13.632 0.813 900 HG12 VAL 122 HG12 VAL 122 8.328 -13.515 -0.795 901 HG13 VAL 122 HG13 VAL 122 8.769 -14.849 0.274 902 HG21 VAL 122 HG21 VAL 122 8.004 -16.526 -1.665 903 HG22 VAL 122 HG22 VAL 122 7.616 -15.096 -2.629 904 HG23 VAL 122 HG23 VAL 122 6.379 -16.321 -2.330 905 H LEU 123 H LEU 123 6.102 -18.576 0.119 906 HA LEU 123 HA LEU 123 8.625 -19.178 1.539 907 HB2 LEU 123 HB2 LEU 123 6.584 -20.274 2.429 908 HB3 LEU 123 HB3 LEU 123 6.332 -21.038 0.867 909 HG LEU 123 HG LEU 123 8.516 -22.253 1.129 910 HD11 LEU 123 HD11 LEU 123 9.664 -20.677 2.616 911 HD12 LEU 123 HD12 LEU 123 9.664 -22.304 3.289 912 HD13 LEU 123 HD13 LEU 123 8.558 -21.085 3.932 913 HD21 LEU 123 HD21 LEU 123 6.420 -23.351 1.743 914 HD22 LEU 123 HD22 LEU 123 6.547 -22.716 3.384 915 HD23 LEU 123 HD23 LEU 123 7.738 -23.875 2.788 916 H GLU 124 H GLU 124 10.311 -19.708 0.326 917 HA GLU 124 HA GLU 124 10.095 -20.399 -2.489 918 HB2 GLU 124 HB2 GLU 124 12.558 -20.419 -2.462 919 HB3 GLU 124 HB3 GLU 124 11.942 -18.952 -1.701 920 HG2 GLU 124 HG2 GLU 124 12.381 -19.881 0.525 921 HG3 GLU 124 HG3 GLU 124 12.909 -21.406 -0.182 922 H HIS 125 H HIS 125 11.072 -22.349 -3.401 923 HA HIS 125 HA HIS 125 10.956 -24.770 -1.749 924 HB2 HIS 125 HB2 HIS 125 11.595 -24.415 -4.718 925 HB3 HIS 125 HB3 HIS 125 11.385 -25.962 -3.900 926 HD1 HIS 125 HD1 HIS 125 8.977 -26.717 -3.380 927 HD2 HIS 125 HD2 HIS 125 9.171 -22.972 -5.176 928 HE1 HIS 125 HE1 HIS 125 6.614 -26.146 -4.001 929 HE2 HIS 125 HE2 HIS 125 6.735 -23.820 -4.945 930 H HIS 126 H HIS 126 13.369 -23.530 -4.098 931 HA HIS 126 HA HIS 126 15.499 -23.519 -2.078 932 HB2 HIS 126 HB2 HIS 126 15.743 -24.992 -4.747 933 HB3 HIS 126 HB3 HIS 126 17.105 -24.629 -3.696 934 HD1 HIS 126 HD1 HIS 126 17.375 -26.090 -1.564 935 HD2 HIS 126 HD2 HIS 126 14.145 -27.171 -3.947 936 HE1 HIS 126 HE1 HIS 126 16.620 -28.323 -0.700 937 HE2 HIS 126 HE2 HIS 126 14.704 -28.985 -2.185 938 H HIS 127 H HIS 127 17.192 -21.999 -2.619 939 HA HIS 127 HA HIS 127 16.518 -19.768 -4.240 940 HB2 HIS 127 HB2 HIS 127 19.278 -20.602 -3.236 941 HB3 HIS 127 HB3 HIS 127 18.896 -19.030 -3.920 942 HD1 HIS 127 HD1 HIS 127 18.930 -20.895 -0.779 943 HD2 HIS 127 HD2 HIS 127 17.133 -17.437 -2.214 944 HE1 HIS 127 HE1 HIS 127 18.197 -19.635 1.254 945 HE2 HIS 127 HE2 HIS 127 16.910 -17.681 0.350 946 H HIS 128 H HIS 128 19.373 -21.822 -4.747 947 HA HIS 128 HA HIS 128 18.855 -22.694 -7.373 948 HB2 HIS 128 HB2 HIS 128 20.811 -21.323 -8.451 949 HB3 HIS 128 HB3 HIS 128 19.241 -20.552 -8.288 950 HD1 HIS 128 HD1 HIS 128 19.338 -18.250 -7.387 951 HD2 HIS 128 HD2 HIS 128 22.618 -20.487 -6.157 952 HE1 HIS 128 HE1 HIS 128 20.793 -16.659 -6.109 953 HE2 HIS 128 HE2 HIS 128 22.875 -17.971 -5.608 954 H HIS 129 H HIS 129 19.356 -24.330 -5.675 955 HA HIS 129 HA HIS 129 20.559 -25.799 -4.497 956 HB2 HIS 129 HB2 HIS 129 22.465 -25.339 -6.805 957 HB3 HIS 129 HB3 HIS 129 22.858 -26.478 -5.519 958 HD1 HIS 129 HD1 HIS 129 20.573 -25.988 -8.426 959 HD2 HIS 129 HD2 HIS 129 21.348 -28.850 -5.523 960 HE1 HIS 129 HE1 HIS 129 19.331 -28.036 -9.163 961 HE2 HIS 129 HE2 HIS 129 20.003 -29.808 -7.514 962 H HIS 130 H HIS 130 23.581 -24.102 -5.312 963 HA HIS 130 HA HIS 130 25.282 -23.335 -4.068 964 HB2 HIS 130 HB2 HIS 130 23.743 -21.401 -3.895 965 HB3 HIS 130 HB3 HIS 130 23.061 -22.064 -2.415 966 HD1 HIS 130 HD1 HIS 130 24.413 -21.749 -0.249 967 HD2 HIS 130 HD2 HIS 130 26.335 -20.247 -3.608 968 HE1 HIS 130 HE1 HIS 130 26.322 -20.384 0.630 969 HE2 HIS 130 HE2 HIS 130 27.535 -19.579 -1.417 Start of MODEL 18 1 H1 MET 1 H1 MET 1 20.029 -14.641 -35.728 2 H2 MET 1 H2 MET 1 20.625 -15.740 -36.870 3 H3 MET 1 H3 MET 1 20.523 -16.184 -35.244 4 HA MET 1 HA MET 1 18.160 -16.111 -35.270 5 HB2 MET 1 HB2 MET 1 17.880 -14.246 -36.854 6 HB3 MET 1 HB3 MET 1 18.480 -15.237 -38.174 7 HG2 MET 1 HG2 MET 1 16.503 -16.701 -37.970 8 HG3 MET 1 HG3 MET 1 15.906 -15.701 -36.645 9 HE1 MET 1 HE1 MET 1 13.570 -15.497 -37.994 10 HE2 MET 1 HE2 MET 1 14.227 -16.435 -39.338 11 HE3 MET 1 HE3 MET 1 13.457 -14.877 -39.640 12 H GLY 2 H GLY 2 17.576 -18.202 -35.160 13 HA2 GLY 2 HA2 GLY 2 17.547 -20.071 -37.275 14 HA3 GLY 2 HA3 GLY 2 18.992 -20.353 -36.306 15 H GLN 3 H GLN 3 18.419 -22.301 -35.292 16 HA GLN 3 HA GLN 3 15.804 -22.459 -33.935 17 HB2 GLN 3 HB2 GLN 3 16.487 -24.370 -35.363 18 HB3 GLN 3 HB3 GLN 3 17.883 -24.650 -34.326 19 HG2 GLN 3 HG2 GLN 3 16.444 -25.222 -32.450 20 HG3 GLN 3 HG3 GLN 3 15.005 -24.768 -33.361 21 HE21 GLN 3 HE21 GLN 3 14.037 -26.771 -33.183 22 HE22 GLN 3 HE22 GLN 3 14.637 -28.188 -33.969 23 H GLY 4 H GLY 4 16.248 -20.971 -32.255 24 HA2 GLY 4 HA2 GLY 4 17.916 -21.961 -30.015 25 HA3 GLY 4 HA3 GLY 4 17.094 -20.405 -30.101 26 H GLN 5 H GLN 5 16.179 -20.884 -27.952 27 HA GLN 5 HA GLN 5 14.047 -22.924 -27.913 28 HB2 GLN 5 HB2 GLN 5 15.113 -21.120 -25.720 29 HB3 GLN 5 HB3 GLN 5 13.784 -22.259 -25.506 30 HG2 GLN 5 HG2 GLN 5 15.270 -24.128 -25.994 31 HG3 GLN 5 HG3 GLN 5 16.592 -23.015 -26.314 32 HE21 GLN 5 HE21 GLN 5 17.516 -21.877 -24.505 33 HE22 GLN 5 HE22 GLN 5 17.303 -22.444 -22.894 34 H ASN 6 H ASN 6 12.155 -22.398 -28.569 35 HA ASN 6 HA ASN 6 10.969 -19.731 -28.103 36 HB2 ASN 6 HB2 ASN 6 9.962 -19.811 -30.444 37 HB3 ASN 6 HB3 ASN 6 11.695 -19.532 -30.384 38 HD21 ASN 6 HD21 ASN 6 9.954 -20.615 -32.539 39 HD22 ASN 6 HD22 ASN 6 10.657 -22.127 -32.976 40 H VAL 7 H VAL 7 9.539 -20.308 -26.597 41 HA VAL 7 HA VAL 7 7.772 -21.078 -25.510 42 HB VAL 7 HB VAL 7 6.518 -21.934 -28.148 43 HG11 VAL 7 HG11 VAL 7 5.200 -22.407 -26.128 44 HG12 VAL 7 HG12 VAL 7 4.427 -21.126 -27.063 45 HG13 VAL 7 HG13 VAL 7 5.355 -20.726 -25.613 46 HG21 VAL 7 HG21 VAL 7 6.725 -19.065 -27.119 47 HG22 VAL 7 HG22 VAL 7 5.756 -19.592 -28.497 48 HG23 VAL 7 HG23 VAL 7 7.515 -19.707 -28.562 49 H LEU 8 H LEU 8 9.844 -23.251 -26.785 50 HA LEU 8 HA LEU 8 8.323 -25.719 -26.421 51 HB2 LEU 8 HB2 LEU 8 10.435 -26.815 -27.290 52 HB3 LEU 8 HB3 LEU 8 9.623 -25.716 -28.387 53 HG LEU 8 HG LEU 8 11.374 -23.941 -27.586 54 HD11 LEU 8 HD11 LEU 8 13.541 -24.781 -26.880 55 HD12 LEU 8 HD12 LEU 8 12.901 -26.424 -26.785 56 HD13 LEU 8 HD13 LEU 8 12.293 -25.176 -25.695 57 HD21 LEU 8 HD21 LEU 8 12.993 -24.620 -29.300 58 HD22 LEU 8 HD22 LEU 8 11.334 -24.813 -29.862 59 HD23 LEU 8 HD23 LEU 8 12.266 -26.229 -29.365 60 H GLY 9 H GLY 9 9.675 -23.763 -24.269 61 HA2 GLY 9 HA2 GLY 9 9.741 -25.564 -22.135 62 HA3 GLY 9 HA3 GLY 9 11.404 -25.342 -22.677 63 H GLN 10 H GLN 10 12.493 -23.639 -21.874 64 HA GLN 10 HA GLN 10 11.113 -21.241 -20.872 65 HB2 GLN 10 HB2 GLN 10 12.369 -21.328 -18.714 66 HB3 GLN 10 HB3 GLN 10 11.238 -22.664 -18.894 67 HG2 GLN 10 HG2 GLN 10 13.141 -24.141 -19.543 68 HG3 GLN 10 HG3 GLN 10 14.245 -22.798 -19.255 69 HE21 GLN 10 HE21 GLN 10 12.180 -25.175 -17.754 70 HE22 GLN 10 HE22 GLN 10 12.758 -24.949 -16.144 71 H ASP 11 H ASP 11 12.121 -19.486 -21.596 72 HA ASP 11 HA ASP 11 14.896 -18.955 -21.588 73 HB2 ASP 11 HB2 ASP 11 14.820 -20.610 -23.516 74 HB3 ASP 11 HB3 ASP 11 13.798 -19.477 -24.394 75 H LEU 12 H LEU 12 15.227 -16.788 -21.801 76 HA LEU 12 HA LEU 12 14.891 -14.572 -21.930 77 HB2 LEU 12 HB2 LEU 12 14.368 -15.423 -24.430 78 HB3 LEU 12 HB3 LEU 12 12.762 -14.841 -24.059 79 HG LEU 12 HG LEU 12 14.106 -13.200 -25.344 80 HD11 LEU 12 HD11 LEU 12 13.479 -12.184 -22.569 81 HD12 LEU 12 HD12 LEU 12 12.342 -12.339 -23.910 82 HD13 LEU 12 HD13 LEU 12 13.685 -11.204 -24.027 83 HD21 LEU 12 HD21 LEU 12 16.028 -12.049 -24.368 84 HD22 LEU 12 HD22 LEU 12 16.332 -13.780 -24.496 85 HD23 LEU 12 HD23 LEU 12 15.935 -13.072 -22.929 86 H GLU 13 H GLU 13 11.495 -15.355 -22.786 87 HA GLU 13 HA GLU 13 9.494 -14.873 -21.874 88 HB2 GLU 13 HB2 GLU 13 10.882 -15.840 -19.348 89 HB3 GLU 13 HB3 GLU 13 9.134 -15.695 -19.540 90 HG2 GLU 13 HG2 GLU 13 9.196 -17.340 -21.382 91 HG3 GLU 13 HG3 GLU 13 10.939 -17.503 -21.195 92 H VAL 14 H VAL 14 8.919 -12.761 -22.003 93 HA VAL 14 HA VAL 14 9.918 -10.794 -20.043 94 HB VAL 14 HB VAL 14 11.493 -10.915 -21.990 95 HG11 VAL 14 HG11 VAL 14 10.816 -10.088 -24.225 96 HG12 VAL 14 HG12 VAL 14 9.140 -9.989 -23.675 97 HG13 VAL 14 HG13 VAL 14 9.944 -11.557 -23.769 98 HG21 VAL 14 HG21 VAL 14 11.348 -8.796 -20.769 99 HG22 VAL 14 HG22 VAL 14 10.016 -8.265 -21.800 100 HG23 VAL 14 HG23 VAL 14 11.625 -8.493 -22.487 101 H CYS 15 H CYS 15 8.803 -8.646 -20.264 102 HA CYS 15 HA CYS 15 5.977 -8.700 -20.590 103 HB2 CYS 15 HB2 CYS 15 7.215 -7.153 -19.064 104 HB3 CYS 15 HB3 CYS 15 7.867 -6.314 -20.463 105 HG CYS 15 HG CYS 15 5.997 -4.576 -20.499 106 H CYS 16 H CYS 16 8.500 -8.332 -22.852 107 HA CYS 16 HA CYS 16 8.542 -8.368 -25.099 108 HB2 CYS 16 HB2 CYS 16 6.266 -9.281 -25.272 109 HB3 CYS 16 HB3 CYS 16 5.588 -7.666 -25.134 110 HG CYS 16 HG CYS 16 6.043 -9.148 -27.839 111 H CYS 17 H CYS 17 9.354 -6.919 -26.440 112 HA CYS 17 HA CYS 17 8.723 -4.165 -26.706 113 HB2 CYS 17 HB2 CYS 17 9.647 -3.915 -24.445 114 HB3 CYS 17 HB3 CYS 17 11.090 -4.817 -24.890 115 HG CYS 17 HG CYS 17 11.767 -2.130 -24.593 116 H ALA 18 H ALA 18 11.414 -6.468 -26.652 117 HA ALA 18 HA ALA 18 11.819 -6.324 -29.529 118 HB1 ALA 18 HB1 ALA 18 14.073 -5.543 -27.625 119 HB2 ALA 18 HB2 ALA 18 13.237 -4.451 -28.730 120 HB3 ALA 18 HB3 ALA 18 14.232 -5.761 -29.370 121 HA PRO 19 HA PRO 19 13.047 -10.734 -29.153 122 HB2 PRO 19 HB2 PRO 19 15.625 -9.772 -30.437 123 HB3 PRO 19 HB3 PRO 19 14.695 -11.246 -30.766 124 HG2 PRO 19 HG2 PRO 19 14.421 -9.166 -32.382 125 HG3 PRO 19 HG3 PRO 19 12.977 -10.072 -31.879 126 HD2 PRO 19 HD2 PRO 19 13.933 -7.371 -30.973 127 HD3 PRO 19 HD3 PRO 19 12.271 -7.978 -31.154 128 H MET 20 H MET 20 15.913 -8.606 -28.498 129 HA MET 20 HA MET 20 16.702 -10.262 -26.203 130 HB2 MET 20 HB2 MET 20 18.692 -8.877 -26.046 131 HB3 MET 20 HB3 MET 20 18.443 -9.295 -27.734 132 HG2 MET 20 HG2 MET 20 17.536 -7.054 -28.169 133 HG3 MET 20 HG3 MET 20 17.729 -6.638 -26.469 134 HE1 MET 20 HE1 MET 20 21.281 -7.362 -29.365 135 HE2 MET 20 HE2 MET 20 19.590 -7.407 -29.863 136 HE3 MET 20 HE3 MET 20 20.237 -8.674 -28.820 137 H THR 21 H THR 21 14.957 -7.333 -26.823 138 HA THR 21 HA THR 21 13.919 -5.738 -25.652 139 HB THR 21 HB THR 21 14.120 -7.621 -23.267 140 HG1 THR 21 HG1 THR 21 12.921 -8.463 -25.031 141 HG21 THR 21 HG21 THR 21 13.643 -5.325 -22.492 142 HG22 THR 21 HG22 THR 21 12.205 -6.336 -22.335 143 HG23 THR 21 HG23 THR 21 12.333 -5.187 -23.668 144 H GLY 22 H GLY 22 16.169 -6.826 -23.028 145 HA2 GLY 22 HA2 GLY 22 17.962 -4.608 -23.323 146 HA3 GLY 22 HA3 GLY 22 16.801 -4.310 -22.033 147 H TRP 23 H TRP 23 19.845 -4.968 -22.191 148 HA TRP 23 HA TRP 23 20.335 -7.477 -20.991 149 HB2 TRP 23 HB2 TRP 23 22.036 -4.954 -20.826 150 HB3 TRP 23 HB3 TRP 23 22.588 -6.577 -20.418 151 HD1 TRP 23 HD1 TRP 23 22.812 -4.241 -23.183 152 HE1 TRP 23 HE1 TRP 23 23.336 -5.420 -25.402 153 HE3 TRP 23 HE3 TRP 23 21.731 -9.079 -21.840 154 HZ2 TRP 23 HZ2 TRP 23 23.293 -8.025 -26.462 155 HZ3 TRP 23 HZ3 TRP 23 22.001 -10.856 -23.528 156 HH2 TRP 23 HH2 TRP 23 22.767 -10.337 -25.797 157 H TYR 24 H TYR 24 19.381 -4.442 -19.516 158 HA TYR 24 HA TYR 24 19.749 -5.285 -16.776 159 HB2 TYR 24 HB2 TYR 24 18.077 -3.019 -17.959 160 HB3 TYR 24 HB3 TYR 24 18.360 -3.260 -16.236 161 HD1 TYR 24 HD1 TYR 24 20.601 -2.816 -15.255 162 HD2 TYR 24 HD2 TYR 24 19.865 -2.132 -19.416 163 HE1 TYR 24 HE1 TYR 24 22.688 -1.529 -15.415 164 HE2 TYR 24 HE2 TYR 24 21.953 -0.840 -19.571 165 HH TYR 24 HH TYR 24 24.322 -0.871 -17.140 166 H ARG 25 H ARG 25 18.790 -7.355 -16.798 167 HA ARG 25 HA ARG 25 17.279 -9.001 -16.674 168 HB2 ARG 25 HB2 ARG 25 15.551 -6.691 -15.763 169 HB3 ARG 25 HB3 ARG 25 14.852 -8.297 -15.924 170 HG2 ARG 25 HG2 ARG 25 17.337 -7.860 -14.249 171 HG3 ARG 25 HG3 ARG 25 15.736 -7.517 -13.596 172 HD2 ARG 25 HD2 ARG 25 16.578 -9.798 -13.000 173 HD3 ARG 25 HD3 ARG 25 15.047 -9.824 -13.872 174 HE ARG 25 HE ARG 25 17.664 -10.427 -15.133 175 HH11 ARG 25 HH11 ARG 25 14.273 -11.175 -14.786 176 HH12 ARG 25 HH12 ARG 25 14.345 -12.435 -15.968 177 HH21 ARG 25 HH21 ARG 25 17.680 -12.027 -16.637 178 HH22 ARG 25 HH22 ARG 25 16.238 -12.914 -16.972 179 H ASN 26 H ASN 26 17.487 -9.544 -18.852 180 HA ASN 26 HA ASN 26 16.000 -8.589 -21.032 181 HB2 ASN 26 HB2 ASN 26 17.134 -11.383 -20.571 182 HB3 ASN 26 HB3 ASN 26 16.555 -10.786 -22.123 183 HD21 ASN 26 HD21 ASN 26 17.828 -9.292 -23.260 184 HD22 ASN 26 HD22 ASN 26 19.460 -8.947 -22.831 185 H GLY 27 H GLY 27 15.166 -10.877 -18.521 186 HA2 GLY 27 HA2 GLY 27 12.477 -11.347 -19.613 187 HA3 GLY 27 HA3 GLY 27 13.189 -12.109 -18.203 188 H PHE 28 H PHE 28 12.543 -8.718 -19.197 189 HA PHE 28 HA PHE 28 11.678 -7.619 -16.803 190 HB2 PHE 28 HB2 PHE 28 10.952 -7.059 -19.682 191 HB3 PHE 28 HB3 PHE 28 10.045 -6.233 -18.431 192 HD1 PHE 28 HD1 PHE 28 11.356 -4.822 -16.725 193 HD2 PHE 28 HD2 PHE 28 13.067 -6.200 -20.389 194 HE1 PHE 28 HE1 PHE 28 13.063 -3.062 -16.592 195 HE2 PHE 28 HE2 PHE 28 14.778 -4.437 -20.251 196 HZ PHE 28 HZ PHE 28 14.778 -2.866 -18.350 197 H CYS 29 H CYS 29 10.276 -8.607 -15.403 198 HA CYS 29 HA CYS 29 7.819 -9.925 -16.328 199 HB2 CYS 29 HB2 CYS 29 9.175 -10.980 -14.538 200 HB3 CYS 29 HB3 CYS 29 8.926 -9.567 -13.513 201 HG CYS 29 HG CYS 29 6.177 -9.954 -13.252 202 H GLN 30 H GLN 30 7.363 -7.595 -17.201 203 HA GLN 30 HA GLN 30 6.263 -5.625 -17.257 204 HB2 GLN 30 HB2 GLN 30 4.605 -6.933 -15.063 205 HB3 GLN 30 HB3 GLN 30 4.154 -5.426 -15.862 206 HG2 GLN 30 HG2 GLN 30 4.163 -6.696 -18.058 207 HG3 GLN 30 HG3 GLN 30 4.389 -8.176 -17.124 208 HE21 GLN 30 HE21 GLN 30 2.405 -8.981 -17.943 209 HE22 GLN 30 HE22 GLN 30 0.888 -8.405 -17.351 210 H THR 31 H THR 31 8.553 -5.892 -15.271 211 HA THR 31 HA THR 31 7.878 -3.751 -13.339 212 HB THR 31 HB THR 31 10.099 -5.836 -13.143 213 HG1 THR 31 HG1 THR 31 7.645 -6.305 -12.761 214 HG21 THR 31 HG21 THR 31 9.163 -3.786 -11.090 215 HG22 THR 31 HG22 THR 31 10.697 -3.735 -11.966 216 HG23 THR 31 HG23 THR 31 10.375 -5.036 -10.820 217 H ASP 32 H ASP 32 8.371 -1.954 -14.688 218 HA ASP 32 HA ASP 32 11.168 -1.506 -15.420 219 HB2 ASP 32 HB2 ASP 32 9.092 -0.502 -16.637 220 HB3 ASP 32 HB3 ASP 32 8.996 0.634 -15.300 221 H VAL 33 H VAL 33 12.617 -0.254 -14.219 222 HA VAL 33 HA VAL 33 12.299 -0.359 -11.385 223 HB VAL 33 HB VAL 33 14.458 -0.776 -12.502 224 HG11 VAL 33 HG11 VAL 33 14.354 0.875 -14.315 225 HG12 VAL 33 HG12 VAL 33 15.851 1.057 -13.401 226 HG13 VAL 33 HG13 VAL 33 14.524 2.195 -13.153 227 HG21 VAL 33 HG21 VAL 33 14.642 1.566 -10.568 228 HG22 VAL 33 HG22 VAL 33 15.942 0.433 -10.947 229 HG23 VAL 33 HG23 VAL 33 14.491 -0.136 -10.119 230 H GLN 34 H GLN 34 11.885 2.262 -13.706 231 HA GLN 34 HA GLN 34 11.138 4.147 -11.558 232 HB2 GLN 34 HB2 GLN 34 13.536 4.563 -12.098 233 HB3 GLN 34 HB3 GLN 34 13.109 4.838 -13.784 234 HG2 GLN 34 HG2 GLN 34 11.759 6.805 -13.110 235 HG3 GLN 34 HG3 GLN 34 12.203 6.533 -11.426 236 HE21 GLN 34 HE21 GLN 34 14.389 6.919 -10.803 237 HE22 GLN 34 HE22 GLN 34 15.431 7.918 -11.740 238 H ASP 35 H ASP 35 11.285 3.537 -15.056 239 HA ASP 35 HA ASP 35 9.882 3.802 -16.783 240 HB2 ASP 35 HB2 ASP 35 8.163 2.885 -15.195 241 HB3 ASP 35 HB3 ASP 35 7.726 4.529 -14.762 242 H ARG 36 H ARG 36 8.665 5.477 -18.096 243 HA ARG 36 HA ARG 36 10.005 8.027 -17.902 244 HB2 ARG 36 HB2 ARG 36 7.803 7.183 -19.842 245 HB3 ARG 36 HB3 ARG 36 8.857 8.587 -20.009 246 HG2 ARG 36 HG2 ARG 36 10.821 6.992 -20.155 247 HG3 ARG 36 HG3 ARG 36 9.660 5.661 -20.186 248 HD2 ARG 36 HD2 ARG 36 8.629 6.817 -22.243 249 HD3 ARG 36 HD3 ARG 36 10.070 7.846 -22.255 250 HE ARG 36 HE ARG 36 10.272 4.894 -22.395 251 HH11 ARG 36 HH11 ARG 36 11.082 7.963 -23.782 252 HH12 ARG 36 HH12 ARG 36 12.070 7.251 -25.005 253 HH21 ARG 36 HH21 ARG 36 11.524 4.032 -23.941 254 HH22 ARG 36 HH22 ARG 36 12.322 5.042 -25.091 255 H GLY 37 H GLY 37 6.551 7.039 -17.788 256 HA2 GLY 37 HA2 GLY 37 5.628 9.678 -16.965 257 HA3 GLY 37 HA3 GLY 37 4.650 8.233 -17.167 258 H SER 38 H SER 38 5.311 6.433 -15.475 259 HA SER 38 HA SER 38 6.013 7.384 -12.826 260 HB2 SER 38 HB2 SER 38 3.633 8.094 -12.920 261 HB3 SER 38 HB3 SER 38 3.141 6.447 -13.316 262 HG SER 38 HG SER 38 4.352 7.362 -10.903 263 H HIS 39 H HIS 39 6.791 5.750 -11.585 264 HA HIS 39 HA HIS 39 7.489 3.252 -12.617 265 HB2 HIS 39 HB2 HIS 39 8.229 2.686 -10.339 266 HB3 HIS 39 HB3 HIS 39 8.661 4.344 -10.735 267 HD1 HIS 39 HD1 HIS 39 6.747 2.320 -8.333 268 HD2 HIS 39 HD2 HIS 39 7.052 6.333 -9.358 269 HE1 HIS 39 HE1 HIS 39 5.612 3.573 -6.478 270 HE2 HIS 39 HE2 HIS 39 5.957 6.001 -7.041 271 H THR 40 H THR 40 6.846 1.090 -12.043 272 HA THR 40 HA THR 40 3.911 0.856 -11.946 273 HB THR 40 HB THR 40 4.902 -0.108 -13.914 274 HG1 THR 40 HG1 THR 40 4.125 -2.243 -12.190 275 HG21 THR 40 HG21 THR 40 7.191 -0.560 -13.132 276 HG22 THR 40 HG22 THR 40 6.490 -1.990 -13.890 277 HG23 THR 40 HG23 THR 40 6.592 -1.891 -12.132 278 H VAL 41 H VAL 41 3.043 0.411 -10.038 279 HA VAL 41 HA VAL 41 4.012 -1.867 -8.429 280 HB VAL 41 HB VAL 41 3.146 0.804 -7.196 281 HG11 VAL 41 HG11 VAL 41 4.023 -1.767 -5.814 282 HG12 VAL 41 HG12 VAL 41 2.389 -1.099 -5.830 283 HG13 VAL 41 HG13 VAL 41 3.686 -0.235 -5.002 284 HG21 VAL 41 HG21 VAL 41 5.449 0.991 -6.297 285 HG22 VAL 41 HG22 VAL 41 5.438 0.989 -8.064 286 HG23 VAL 41 HG23 VAL 41 5.911 -0.466 -7.183 287 H CYS 42 H CYS 42 2.290 -3.261 -8.681 288 HA CYS 42 HA CYS 42 -0.473 -2.221 -8.630 289 HB2 CYS 42 HB2 CYS 42 0.581 -5.007 -9.272 290 HB3 CYS 42 HB3 CYS 42 -1.121 -4.543 -9.304 291 HG CYS 42 HG CYS 42 1.307 -3.956 -11.530 292 H ALA 43 H ALA 43 -1.143 -1.894 -6.649 293 HA ALA 43 HA ALA 43 -1.127 -3.993 -4.596 294 HB1 ALA 43 HB1 ALA 43 -0.137 -1.146 -4.101 295 HB2 ALA 43 HB2 ALA 43 0.860 -2.600 -4.078 296 HB3 ALA 43 HB3 ALA 43 -0.388 -2.373 -2.855 297 H GLU 44 H GLU 44 -2.934 -3.631 -3.026 298 HA GLU 44 HA GLU 44 -4.956 -1.735 -4.097 299 HB2 GLU 44 HB2 GLU 44 -5.265 -4.202 -4.756 300 HB3 GLU 44 HB3 GLU 44 -5.684 -4.501 -3.072 301 HG2 GLU 44 HG2 GLU 44 -7.573 -2.994 -3.223 302 HG3 GLU 44 HG3 GLU 44 -7.082 -2.480 -4.839 303 H MET 45 H MET 45 -5.075 -0.200 -2.570 304 HA MET 45 HA MET 45 -5.431 -0.828 0.252 305 HB2 MET 45 HB2 MET 45 -5.702 1.878 -1.169 306 HB3 MET 45 HB3 MET 45 -5.595 1.598 0.563 307 HG2 MET 45 HG2 MET 45 -3.288 0.804 0.339 308 HG3 MET 45 HG3 MET 45 -3.367 1.013 -1.408 309 HE1 MET 45 HE1 MET 45 -4.960 3.412 1.287 310 HE2 MET 45 HE2 MET 45 -3.639 4.553 1.558 311 HE3 MET 45 HE3 MET 45 -3.475 2.873 2.071 312 H THR 46 H THR 46 -7.445 -0.902 1.311 313 HA THR 46 HA THR 46 -9.864 -0.863 -0.391 314 HB THR 46 HB THR 46 -9.927 -2.846 0.875 315 HG1 THR 46 HG1 THR 46 -11.884 -2.572 1.575 316 HG21 THR 46 HG21 THR 46 -9.538 -3.051 3.285 317 HG22 THR 46 HG22 THR 46 -9.244 -1.316 3.395 318 HG23 THR 46 HG23 THR 46 -8.130 -2.341 2.489 319 H GLU 47 H GLU 47 -11.863 0.151 0.414 320 HA GLU 47 HA GLU 47 -11.427 2.904 0.497 321 HB2 GLU 47 HB2 GLU 47 -13.496 1.716 -0.397 322 HB3 GLU 47 HB3 GLU 47 -14.070 1.602 1.265 323 HG2 GLU 47 HG2 GLU 47 -14.078 4.069 1.456 324 HG3 GLU 47 HG3 GLU 47 -13.418 4.200 -0.173 325 H GLU 48 H GLU 48 -12.043 0.692 3.150 326 HA GLU 48 HA GLU 48 -12.796 2.430 5.214 327 HB2 GLU 48 HB2 GLU 48 -10.859 0.101 5.573 328 HB3 GLU 48 HB3 GLU 48 -11.964 0.766 6.777 329 HG2 GLU 48 HG2 GLU 48 -12.669 -0.855 4.310 330 HG3 GLU 48 HG3 GLU 48 -12.817 -1.352 5.994 331 H PHE 49 H PHE 49 -9.594 1.571 4.054 332 HA PHE 49 HA PHE 49 -8.104 3.196 5.899 333 HB2 PHE 49 HB2 PHE 49 -7.361 1.490 3.511 334 HB3 PHE 49 HB3 PHE 49 -6.156 2.399 4.414 335 HD1 PHE 49 HD2 PHE 49 -8.490 -0.439 4.529 336 HD2 PHE 49 HD1 PHE 49 -5.544 1.743 6.704 337 HE1 PHE 49 HE2 PHE 49 -8.349 -2.266 6.165 338 HE2 PHE 49 HE1 PHE 49 -5.416 -0.082 8.348 339 HZ PHE 49 HZ PHE 49 -6.817 -2.085 8.081 340 H LEU 50 H LEU 50 -9.104 3.642 2.452 341 HA LEU 50 HA LEU 50 -7.417 5.933 2.036 342 HB2 LEU 50 HB2 LEU 50 -9.927 5.064 0.558 343 HB3 LEU 50 HB3 LEU 50 -9.062 6.527 0.158 344 HG LEU 50 HG LEU 50 -6.998 4.976 -0.201 345 HD11 LEU 50 HD11 LEU 50 -7.524 2.726 -0.949 346 HD12 LEU 50 HD12 LEU 50 -9.212 2.944 -0.482 347 HD13 LEU 50 HD13 LEU 50 -7.943 2.955 0.747 348 HD21 LEU 50 HD21 LEU 50 -8.089 6.245 -1.993 349 HD22 LEU 50 HD22 LEU 50 -9.306 4.979 -2.176 350 HD23 LEU 50 HD23 LEU 50 -7.614 4.641 -2.560 351 H LEU 51 H LEU 51 -10.798 5.574 3.046 352 HA LEU 51 HA LEU 51 -11.406 8.332 3.410 353 HB2 LEU 51 HB2 LEU 51 -12.648 5.858 4.678 354 HB3 LEU 51 HB3 LEU 51 -13.334 7.466 4.763 355 HG LEU 51 HG LEU 51 -13.032 5.774 2.261 356 HD11 LEU 51 HD11 LEU 51 -14.858 5.054 3.718 357 HD12 LEU 51 HD12 LEU 51 -15.483 5.766 2.234 358 HD13 LEU 51 HD13 LEU 51 -15.521 6.693 3.737 359 HD21 LEU 51 HD21 LEU 51 -12.637 8.105 1.672 360 HD22 LEU 51 HD22 LEU 51 -14.116 8.598 2.501 361 HD23 LEU 51 HD23 LEU 51 -14.206 7.580 1.062 362 H PHE 52 H PHE 52 -10.082 5.826 5.584 363 HA PHE 52 HA PHE 52 -10.027 7.355 7.983 364 HB2 PHE 52 HB2 PHE 52 -9.788 4.902 7.996 365 HB3 PHE 52 HB3 PHE 52 -8.258 5.018 7.132 366 HD1 PHE 52 HD1 PHE 52 -9.879 6.280 10.288 367 HD2 PHE 52 HD2 PHE 52 -6.270 4.918 8.421 368 HE1 PHE 52 HE1 PHE 52 -8.702 6.428 12.437 369 HE2 PHE 52 HE2 PHE 52 -5.111 5.074 10.585 370 HZ PHE 52 HZ PHE 52 -6.323 5.825 12.589 371 H SER 53 H SER 53 -7.673 6.973 5.361 372 HA SER 53 HA SER 53 -5.482 8.387 6.454 373 HB2 SER 53 HB2 SER 53 -5.254 6.963 4.463 374 HB3 SER 53 HB3 SER 53 -6.328 8.018 3.548 375 HG SER 53 HG SER 53 -3.705 8.543 4.470 376 H ARG 54 H ARG 54 -8.174 9.446 4.391 377 HA ARG 54 HA ARG 54 -7.612 12.198 4.199 378 HB2 ARG 54 HB2 ARG 54 -9.286 10.916 2.825 379 HB3 ARG 54 HB3 ARG 54 -10.332 10.807 4.239 380 HG2 ARG 54 HG2 ARG 54 -10.435 13.332 4.257 381 HG3 ARG 54 HG3 ARG 54 -9.538 13.321 2.736 382 HD2 ARG 54 HD2 ARG 54 -11.419 11.875 1.786 383 HD3 ARG 54 HD3 ARG 54 -12.325 12.240 3.262 384 HE ARG 54 HE ARG 54 -11.332 14.573 1.917 385 HH11 ARG 54 HH11 ARG 54 -14.002 12.383 2.014 386 HH12 ARG 54 HH12 ARG 54 -15.058 13.494 1.218 387 HH21 ARG 54 HH21 ARG 54 -12.673 15.956 0.913 388 HH22 ARG 54 HH22 ARG 54 -14.311 15.494 0.595 389 H ASP 55 H ASP 55 -9.568 10.393 6.563 390 HA ASP 55 HA ASP 55 -10.525 12.653 8.035 391 HB2 ASP 55 HB2 ASP 55 -11.732 10.478 7.811 392 HB3 ASP 55 HB3 ASP 55 -10.490 9.691 8.777 393 H ARG 56 H ARG 56 -7.648 10.688 8.275 394 HA ARG 56 HA ARG 56 -7.054 11.037 11.050 395 HB2 ARG 56 HB2 ARG 56 -6.103 9.145 9.877 396 HB3 ARG 56 HB3 ARG 56 -5.330 10.184 8.684 397 HG2 ARG 56 HG2 ARG 56 -3.734 10.989 10.305 398 HG3 ARG 56 HG3 ARG 56 -4.602 10.216 11.631 399 HD2 ARG 56 HD2 ARG 56 -4.003 8.003 10.794 400 HD3 ARG 56 HD3 ARG 56 -3.247 8.710 9.363 401 HE ARG 56 HE ARG 56 -1.375 9.140 10.599 402 HH11 ARG 56 HH11 ARG 56 -3.920 8.516 12.891 403 HH12 ARG 56 HH12 ARG 56 -2.836 8.572 14.233 404 HH21 ARG 56 HH21 ARG 56 -0.055 9.218 12.323 405 HH22 ARG 56 HH22 ARG 56 -0.681 8.970 13.915 406 H GLY 57 H GLY 57 -5.894 12.653 8.083 407 HA2 GLY 57 HA2 GLY 57 -4.555 14.769 9.646 408 HA3 GLY 57 HA3 GLY 57 -4.450 14.523 7.909 409 H ASN 58 H ASN 58 -6.008 15.376 6.567 410 HA ASN 58 HA ASN 58 -8.290 16.910 7.585 411 HB2 ASN 58 HB2 ASN 58 -6.001 18.152 5.996 412 HB3 ASN 58 HB3 ASN 58 -7.603 18.885 6.056 413 HD21 ASN 58 HD21 ASN 58 -8.199 18.434 8.779 414 HD22 ASN 58 HD22 ASN 58 -7.130 19.406 9.722 415 H ASP 59 H ASP 59 -6.383 16.450 4.602 416 HA ASP 59 HA ASP 59 -8.396 14.743 3.416 417 HB2 ASP 59 HB2 ASP 59 -9.019 17.238 2.901 418 HB3 ASP 59 HB3 ASP 59 -7.632 17.225 1.821 419 H LEU 60 H LEU 60 -7.121 13.088 2.730 420 HA LEU 60 HA LEU 60 -4.621 13.679 1.242 421 HB2 LEU 60 HB2 LEU 60 -5.246 11.260 2.995 422 HB3 LEU 60 HB3 LEU 60 -3.813 11.409 1.985 423 HG LEU 60 HG LEU 60 -4.493 13.127 4.417 424 HD11 LEU 60 HD11 LEU 60 -2.521 12.110 5.458 425 HD12 LEU 60 HD12 LEU 60 -2.262 11.105 4.027 426 HD13 LEU 60 HD13 LEU 60 -3.710 10.885 5.013 427 HD21 LEU 60 HD21 LEU 60 -3.365 14.516 2.748 428 HD22 LEU 60 HD22 LEU 60 -2.067 13.329 2.597 429 HD23 LEU 60 HD23 LEU 60 -2.293 14.206 4.114 430 H MET 61 H MET 61 -7.663 13.016 0.621 431 HA MET 61 HA MET 61 -7.463 12.051 -1.978 432 HB2 MET 61 HB2 MET 61 -6.747 9.879 -0.893 433 HB3 MET 61 HB3 MET 61 -8.281 9.810 -0.046 434 HG2 MET 61 HG2 MET 61 -8.059 9.781 -3.068 435 HG3 MET 61 HG3 MET 61 -8.066 8.323 -2.081 436 HE1 MET 61 HE1 MET 61 -11.709 8.541 -0.490 437 HE2 MET 61 HE2 MET 61 -10.203 9.135 0.211 438 HE3 MET 61 HE3 MET 61 -10.249 7.561 -0.587 439 H THR 62 H THR 62 -9.219 13.254 -2.679 440 HA THR 62 HA THR 62 -11.702 13.371 -1.091 441 HB THR 62 HB THR 62 -11.055 14.863 -3.686 442 HG1 THR 62 HG1 THR 62 -10.350 15.334 -1.051 443 HG21 THR 62 HG21 THR 62 -13.494 14.720 -3.237 444 HG22 THR 62 HG22 THR 62 -12.900 16.370 -3.023 445 HG23 THR 62 HG23 THR 62 -13.234 15.359 -1.614 446 HA PRO 63 HA PRO 63 -13.217 10.172 -4.058 447 HB2 PRO 63 HB2 PRO 63 -15.051 8.975 -2.473 448 HB3 PRO 63 HB3 PRO 63 -13.316 8.709 -2.251 449 HG2 PRO 63 HG2 PRO 63 -15.174 10.491 -0.691 450 HG3 PRO 63 HG3 PRO 63 -13.859 9.456 -0.100 451 HD2 PRO 63 HD2 PRO 63 -13.641 12.208 -0.529 452 HD3 PRO 63 HD3 PRO 63 -12.268 11.087 -0.461 453 H ARG 64 H ARG 64 -15.524 12.070 -2.024 454 HA ARG 64 HA ARG 64 -17.522 13.014 -2.329 455 HB2 ARG 64 HB2 ARG 64 -16.766 13.033 -5.279 456 HB3 ARG 64 HB3 ARG 64 -18.212 13.815 -4.634 457 HG2 ARG 64 HG2 ARG 64 -16.771 15.243 -3.197 458 HG3 ARG 64 HG3 ARG 64 -15.339 14.501 -3.916 459 HD2 ARG 64 HD2 ARG 64 -15.924 15.405 -6.104 460 HD3 ARG 64 HD3 ARG 64 -17.454 16.038 -5.478 461 HE ARG 64 HE ARG 64 -14.750 17.039 -4.773 462 HH11 ARG 64 HH11 ARG 64 -18.168 17.597 -4.991 463 HH12 ARG 64 HH12 ARG 64 -18.033 19.247 -4.499 464 HH21 ARG 64 HH21 ARG 64 -14.616 19.151 -4.147 465 HH22 ARG 64 HH22 ARG 64 -16.047 20.112 -4.021 466 HA PRO 65 HA PRO 65 -20.357 9.577 -3.315 467 HB2 PRO 65 HB2 PRO 65 -22.639 10.602 -2.315 468 HB3 PRO 65 HB3 PRO 65 -21.312 10.107 -1.251 469 HG2 PRO 65 HG2 PRO 65 -22.031 12.883 -2.213 470 HG3 PRO 65 HG3 PRO 65 -21.620 12.346 -0.569 471 HD2 PRO 65 HD2 PRO 65 -19.799 13.535 -2.256 472 HD3 PRO 65 HD3 PRO 65 -19.340 12.377 -0.990 473 H GLU 66 H GLU 66 -19.587 11.147 -5.457 474 HA GLU 66 HA GLU 66 -21.985 11.296 -7.158 475 HB2 GLU 66 HB2 GLU 66 -21.272 13.611 -6.360 476 HB3 GLU 66 HB3 GLU 66 -19.725 13.366 -7.146 477 HG2 GLU 66 HG2 GLU 66 -22.158 13.099 -8.873 478 HG3 GLU 66 HG3 GLU 66 -21.811 14.711 -8.262 479 H PHE 67 H PHE 67 -21.230 11.180 -9.548 480 HA PHE 67 HA PHE 67 -19.335 8.960 -9.769 481 HB2 PHE 67 HB2 PHE 67 -20.252 8.796 -12.135 482 HB3 PHE 67 HB3 PHE 67 -21.447 8.612 -10.863 483 HD1 PHE 67 HD1 PHE 67 -23.180 10.342 -10.481 484 HD2 PHE 67 HD2 PHE 67 -20.336 10.748 -13.656 485 HE1 PHE 67 HE1 PHE 67 -24.570 12.092 -11.510 486 HE2 PHE 67 HE2 PHE 67 -21.733 12.491 -14.677 487 HZ PHE 67 HZ PHE 67 -23.849 13.166 -13.609 488 H ASN 68 H ASN 68 -18.048 11.396 -9.185 489 HA ASN 68 HA ASN 68 -17.061 12.848 -11.413 490 HB2 ASN 68 HB2 ASN 68 -17.129 13.740 -9.099 491 HB3 ASN 68 HB3 ASN 68 -15.916 12.567 -8.592 492 HD21 ASN 68 HD21 ASN 68 -15.967 14.505 -11.582 493 HD22 ASN 68 HD22 ASN 68 -14.520 15.370 -11.230 494 H PHE 69 H PHE 69 -15.690 10.156 -9.536 495 HA PHE 69 HA PHE 69 -13.994 8.721 -9.760 496 HB2 PHE 69 HB2 PHE 69 -14.964 8.053 -11.871 497 HB3 PHE 69 HB3 PHE 69 -14.243 9.424 -12.705 498 HD1 PHE 69 HD2 PHE 69 -13.240 6.363 -10.747 499 HD2 PHE 69 HD1 PHE 69 -12.229 9.084 -13.896 500 HE1 PHE 69 HE2 PHE 69 -11.278 4.995 -11.314 501 HE2 PHE 69 HE1 PHE 69 -10.271 7.707 -14.450 502 HZ PHE 69 HZ PHE 69 -9.792 5.662 -13.162 503 HA PRO 70 HA PRO 70 -10.357 11.572 -9.589 504 HB2 PRO 70 HB2 PRO 70 -9.529 9.929 -7.268 505 HB3 PRO 70 HB3 PRO 70 -9.886 11.656 -7.335 506 HG2 PRO 70 HG2 PRO 70 -11.508 9.891 -6.044 507 HG3 PRO 70 HG3 PRO 70 -12.134 11.356 -6.829 508 HD2 PRO 70 HD2 PRO 70 -12.111 8.512 -7.875 509 HD3 PRO 70 HD3 PRO 70 -13.435 9.708 -7.884 510 H GLY 71 H GLY 71 -8.120 11.134 -10.036 511 HA2 GLY 71 HA2 GLY 71 -7.409 8.754 -11.438 512 HA3 GLY 71 HA3 GLY 71 -6.302 10.004 -10.891 513 H LEU 72 H LEU 72 -7.010 6.787 -10.554 514 HA LEU 72 HA LEU 72 -6.813 5.108 -9.068 515 HB2 LEU 72 HB2 LEU 72 -4.930 7.035 -7.682 516 HB3 LEU 72 HB3 LEU 72 -5.343 5.497 -6.947 517 HG LEU 72 HG LEU 72 -4.451 4.345 -9.018 518 HD11 LEU 72 HD11 LEU 72 -2.913 5.549 -10.495 519 HD12 LEU 72 HD12 LEU 72 -3.322 7.073 -9.703 520 HD13 LEU 72 HD13 LEU 72 -4.552 6.195 -10.615 521 HD21 LEU 72 HD21 LEU 72 -2.101 4.552 -8.348 522 HD22 LEU 72 HD22 LEU 72 -3.176 4.412 -6.957 523 HD23 LEU 72 HD23 LEU 72 -2.492 5.985 -7.393 524 H LYS 73 H LYS 73 -8.090 4.263 -7.497 525 HA LYS 73 HA LYS 73 -9.317 5.900 -5.444 526 HB2 LYS 73 HB2 LYS 73 -11.697 5.091 -6.237 527 HB3 LYS 73 HB3 LYS 73 -10.964 6.500 -6.976 528 HG2 LYS 73 HG2 LYS 73 -11.968 5.270 -8.729 529 HG3 LYS 73 HG3 LYS 73 -10.228 5.042 -8.889 530 HD2 LYS 73 HD2 LYS 73 -10.413 2.784 -7.910 531 HD3 LYS 73 HD3 LYS 73 -12.151 3.012 -7.665 532 HE2 LYS 73 HE2 LYS 73 -12.465 3.219 -10.110 533 HE3 LYS 73 HE3 LYS 73 -10.729 3.009 -10.355 534 HZ1 LYS 73 HZ1 LYS 73 -12.501 0.992 -9.109 535 HZ2 LYS 73 HZ2 LYS 73 -10.868 0.796 -9.533 536 HZ3 LYS 73 HZ3 LYS 73 -12.033 0.997 -10.732 537 H ALA 74 H ALA 74 -11.116 4.481 -4.317 538 HA ALA 74 HA ALA 74 -9.647 2.607 -2.861 539 HB1 ALA 74 HB1 ALA 74 -11.468 3.942 -1.938 540 HB2 ALA 74 HB2 ALA 74 -11.720 2.223 -1.632 541 HB3 ALA 74 HB3 ALA 74 -12.639 3.039 -2.900 542 H GLY 75 H GLY 75 -9.389 0.467 -2.928 543 HA2 GLY 75 HA2 GLY 75 -9.479 -1.734 -3.526 544 HA3 GLY 75 HA3 GLY 75 -11.149 -1.477 -3.989 545 H ASP 76 H ASP 76 -8.238 0.089 -5.361 546 HA ASP 76 HA ASP 76 -8.651 -1.395 -7.895 547 HB2 ASP 76 HB2 ASP 76 -9.383 1.051 -7.919 548 HB3 ASP 76 HB3 ASP 76 -7.699 1.494 -7.658 549 H ARG 77 H ARG 77 -7.006 -2.877 -7.804 550 HA ARG 77 HA ARG 77 -4.294 -2.202 -6.989 551 HB2 ARG 77 HB2 ARG 77 -5.264 -4.426 -6.518 552 HB3 ARG 77 HB3 ARG 77 -5.520 -4.703 -8.231 553 HG2 ARG 77 HG2 ARG 77 -2.728 -4.240 -7.986 554 HG3 ARG 77 HG3 ARG 77 -3.147 -5.231 -6.588 555 HD2 ARG 77 HD2 ARG 77 -2.458 -6.618 -8.519 556 HD3 ARG 77 HD3 ARG 77 -4.140 -6.933 -8.076 557 HE ARG 77 HE ARG 77 -4.485 -5.102 -9.960 558 HH11 ARG 77 HH11 ARG 77 -2.629 -8.012 -10.143 559 HH12 ARG 77 HH12 ARG 77 -2.636 -7.998 -11.869 560 HH21 ARG 77 HH21 ARG 77 -4.462 -5.106 -12.099 561 HH22 ARG 77 HH22 ARG 77 -3.675 -6.376 -12.966 562 H TRP 78 H TRP 78 -3.771 -0.511 -8.525 563 HA TRP 78 HA TRP 78 -2.386 -1.397 -10.875 564 HB2 TRP 78 HB2 TRP 78 -5.010 0.062 -11.319 565 HB3 TRP 78 HB3 TRP 78 -3.681 0.361 -12.425 566 HD1 TRP 78 HD1 TRP 78 -2.611 -2.191 -13.434 567 HE1 TRP 78 HE1 TRP 78 -4.018 -4.066 -14.486 568 HE3 TRP 78 HE3 TRP 78 -7.191 -0.976 -11.498 569 HZ2 TRP 78 HZ2 TRP 78 -6.706 -4.926 -14.506 570 HZ3 TRP 78 HZ3 TRP 78 -9.134 -2.375 -12.073 571 HH2 TRP 78 HH2 TRP 78 -8.895 -4.315 -13.550 572 H CYS 79 H CYS 79 -0.583 -0.225 -10.819 573 HA CYS 79 HA CYS 79 0.958 1.433 -10.583 574 HB2 CYS 79 HB2 CYS 79 -0.307 2.258 -12.566 575 HB3 CYS 79 HB3 CYS 79 -1.320 3.230 -11.501 576 HG CYS 79 HG CYS 79 0.789 4.875 -10.644 577 H LEU 80 H LEU 80 -0.637 0.835 -8.203 578 HA LEU 80 HA LEU 80 -1.415 3.099 -6.731 579 HB2 LEU 80 HB2 LEU 80 -2.172 0.762 -6.303 580 HB3 LEU 80 HB3 LEU 80 -0.569 0.337 -5.748 581 HG LEU 80 HG LEU 80 -2.419 0.692 -3.979 582 HD11 LEU 80 HD11 LEU 80 -0.049 0.488 -3.373 583 HD12 LEU 80 HD12 LEU 80 -0.925 1.576 -2.299 584 HD13 LEU 80 HD13 LEU 80 0.146 2.234 -3.537 585 HD21 LEU 80 HD21 LEU 80 -2.869 2.970 -3.220 586 HD22 LEU 80 HD22 LEU 80 -3.374 2.760 -4.898 587 HD23 LEU 80 HD23 LEU 80 -1.880 3.627 -4.529 588 H CYS 81 H CYS 81 -0.306 4.522 -5.516 589 HA CYS 81 HA CYS 81 2.499 4.817 -5.629 590 HB2 CYS 81 HB2 CYS 81 1.034 6.741 -5.344 591 HB3 CYS 81 HB3 CYS 81 0.447 6.118 -3.803 592 HG CYS 81 HG CYS 81 2.890 8.160 -4.313 593 H ALA 82 H ALA 82 3.729 3.203 -4.784 594 HA ALA 82 HA ALA 82 3.293 1.662 -2.483 595 HB1 ALA 82 HB1 ALA 82 4.886 1.020 -4.252 596 HB2 ALA 82 HB2 ALA 82 5.662 1.001 -2.666 597 HB3 ALA 82 HB3 ALA 82 5.956 2.341 -3.779 598 H SER 83 H SER 83 4.675 4.868 -2.794 599 HA SER 83 HA SER 83 5.841 5.137 -0.208 600 HB2 SER 83 HB2 SER 83 4.749 7.275 -2.083 601 HB3 SER 83 HB3 SER 83 5.778 7.585 -0.682 602 HG SER 83 HG SER 83 7.451 6.520 -1.687 603 H ARG 84 H ARG 84 2.573 5.826 -1.468 604 HA ARG 84 HA ARG 84 1.573 6.999 0.973 605 HB2 ARG 84 HB2 ARG 84 0.699 7.510 -1.351 606 HB3 ARG 84 HB3 ARG 84 -0.056 5.919 -1.368 607 HG2 ARG 84 HG2 ARG 84 -1.524 6.534 0.470 608 HG3 ARG 84 HG3 ARG 84 -0.672 8.063 0.701 609 HD2 ARG 84 HD2 ARG 84 -2.312 7.284 -1.742 610 HD3 ARG 84 HD3 ARG 84 -2.805 8.408 -0.471 611 HE ARG 84 HE ARG 84 -0.342 9.100 -1.856 612 HH11 ARG 84 HH11 ARG 84 -3.761 9.655 -1.696 613 HH12 ARG 84 HH12 ARG 84 -3.673 11.076 -2.670 614 HH21 ARG 84 HH21 ARG 84 -0.281 10.919 -3.103 615 HH22 ARG 84 HH22 ARG 84 -1.735 11.777 -3.458 616 H TRP 85 H TRP 85 1.526 3.755 -0.448 617 HA TRP 85 HA TRP 85 -0.099 2.444 1.504 618 HB2 TRP 85 HB2 TRP 85 0.117 1.026 -0.299 619 HB3 TRP 85 HB3 TRP 85 1.715 1.625 -0.721 620 HD1 TRP 85 HD1 TRP 85 3.551 -0.106 -0.447 621 HE1 TRP 85 HE1 TRP 85 3.978 -2.162 1.034 622 HE3 TRP 85 HE3 TRP 85 -0.791 -0.128 2.251 623 HZ2 TRP 85 HZ2 TRP 85 2.658 -3.634 3.032 624 HZ3 TRP 85 HZ3 TRP 85 -1.131 -1.906 3.911 625 HH2 TRP 85 HH2 TRP 85 0.555 -3.624 4.292 626 H GLN 86 H GLN 86 3.437 2.881 1.214 627 HA GLN 86 HA GLN 86 4.340 1.771 3.618 628 HB2 GLN 86 HB2 GLN 86 5.845 2.471 1.800 629 HB3 GLN 86 HB3 GLN 86 5.419 4.152 2.043 630 HG2 GLN 86 HG2 GLN 86 7.638 3.683 2.953 631 HG3 GLN 86 HG3 GLN 86 6.527 4.156 4.239 632 HE21 GLN 86 HE21 GLN 86 5.914 2.588 5.779 633 HE22 GLN 86 HE22 GLN 86 6.749 1.090 5.956 634 H GLU 87 H GLU 87 3.232 5.074 2.938 635 HA GLU 87 HA GLU 87 3.722 6.292 5.426 636 HB2 GLU 87 HB2 GLU 87 3.258 7.550 3.353 637 HB3 GLU 87 HB3 GLU 87 1.612 6.934 3.318 638 HG2 GLU 87 HG2 GLU 87 1.064 8.186 5.353 639 HG3 GLU 87 HG3 GLU 87 2.735 8.731 5.489 640 H ALA 88 H ALA 88 0.951 4.411 4.265 641 HA ALA 88 HA ALA 88 -0.772 4.815 6.493 642 HB1 ALA 88 HB1 ALA 88 -1.536 3.948 4.291 643 HB2 ALA 88 HB2 ALA 88 -2.060 2.940 5.642 644 HB3 ALA 88 HB3 ALA 88 -0.705 2.425 4.623 645 H PHE 89 H PHE 89 1.752 2.341 5.841 646 HA PHE 89 HA PHE 89 1.319 0.769 8.185 647 HB2 PHE 89 HB2 PHE 89 2.644 0.105 6.096 648 HB3 PHE 89 HB3 PHE 89 3.968 1.086 6.710 649 HD1 PHE 89 HD1 PHE 89 5.212 0.357 8.784 650 HD2 PHE 89 HD2 PHE 89 2.148 -2.087 7.054 651 HE1 PHE 89 HE1 PHE 89 6.036 -1.587 10.047 652 HE2 PHE 89 HE2 PHE 89 2.981 -4.015 8.330 653 HZ PHE 89 HZ PHE 89 4.923 -3.771 9.821 654 H GLU 90 H GLU 90 3.425 3.537 7.491 655 HA GLU 90 HA GLU 90 4.693 3.735 10.041 656 HB2 GLU 90 HB2 GLU 90 4.254 5.858 7.895 657 HB3 GLU 90 HB3 GLU 90 5.380 5.998 9.248 658 HG2 GLU 90 HG2 GLU 90 6.672 4.090 8.382 659 HG3 GLU 90 HG3 GLU 90 5.538 3.913 7.043 660 H ALA 91 H ALA 91 1.647 4.953 8.775 661 HA ALA 91 HA ALA 91 0.954 6.573 11.083 662 HB1 ALA 91 HB1 ALA 91 -1.223 6.842 9.973 663 HB2 ALA 91 HB2 ALA 91 -0.793 5.593 8.798 664 HB3 ALA 91 HB3 ALA 91 0.094 7.118 8.831 665 H GLY 92 H GLY 92 1.079 3.259 10.589 666 HA2 GLY 92 HA2 GLY 92 0.656 1.636 12.234 667 HA3 GLY 92 HA3 GLY 92 -0.513 2.699 12.993 668 H MET 93 H MET 93 -1.657 3.053 10.139 669 HA MET 93 HA MET 93 -3.779 1.150 10.444 670 HB2 MET 93 HB2 MET 93 -4.539 2.299 8.147 671 HB3 MET 93 HB3 MET 93 -4.672 3.139 9.681 672 HG2 MET 93 HG2 MET 93 -2.589 4.347 9.221 673 HG3 MET 93 HG3 MET 93 -2.415 3.491 7.697 674 HE1 MET 93 HE1 MET 93 -5.267 3.513 6.389 675 HE2 MET 93 HE2 MET 93 -3.814 4.014 5.523 676 HE3 MET 93 HE3 MET 93 -5.245 5.043 5.516 677 H ALA 94 H ALA 94 -2.396 1.681 7.186 678 HA ALA 94 HA ALA 94 -1.721 0.351 5.513 679 HB1 ALA 94 HB1 ALA 94 -0.228 -1.528 5.980 680 HB2 ALA 94 HB2 ALA 94 -0.755 -1.543 7.667 681 HB3 ALA 94 HB3 ALA 94 0.128 -0.159 7.038 682 HA PRO 95 HA PRO 95 -5.278 -2.566 4.847 683 HB2 PRO 95 HB2 PRO 95 -4.397 -2.239 2.000 684 HB3 PRO 95 HB3 PRO 95 -5.990 -1.970 2.721 685 HG2 PRO 95 HG2 PRO 95 -4.466 0.093 1.940 686 HG3 PRO 95 HG3 PRO 95 -5.465 0.197 3.398 687 HD2 PRO 95 HD2 PRO 95 -2.500 -0.320 3.174 688 HD3 PRO 95 HD3 PRO 95 -3.375 0.773 4.274 689 HA PRO 96 HA PRO 96 -2.811 -6.292 3.578 690 HB2 PRO 96 HB2 PRO 96 -4.997 -7.669 2.237 691 HB3 PRO 96 HB3 PRO 96 -4.351 -7.964 3.851 692 HG2 PRO 96 HG2 PRO 96 -6.880 -6.929 3.336 693 HG3 PRO 96 HG3 PRO 96 -6.008 -6.745 4.869 694 HD2 PRO 96 HD2 PRO 96 -6.293 -4.778 2.600 695 HD3 PRO 96 HD3 PRO 96 -6.302 -4.490 4.356 696 H VAL 97 H VAL 97 -1.467 -6.636 1.865 697 HA VAL 97 HA VAL 97 -2.338 -5.962 -0.894 698 HB VAL 97 HB VAL 97 -0.797 -4.218 -0.195 699 HG11 VAL 97 HG11 VAL 97 1.502 -4.620 0.579 700 HG12 VAL 97 HG12 VAL 97 1.224 -6.367 0.539 701 HG13 VAL 97 HG13 VAL 97 0.325 -5.354 1.675 702 HG21 VAL 97 HG21 VAL 97 -0.541 -4.959 -2.530 703 HG22 VAL 97 HG22 VAL 97 0.668 -6.150 -2.041 704 HG23 VAL 97 HG23 VAL 97 1.011 -4.426 -1.878 705 H VAL 98 H VAL 98 -1.673 -7.374 -2.545 706 HA VAL 98 HA VAL 98 -0.881 -10.062 -1.654 707 HB VAL 98 HB VAL 98 -2.948 -9.963 -2.905 708 HG11 VAL 98 HG11 VAL 98 -2.618 -7.907 -4.195 709 HG12 VAL 98 HG12 VAL 98 -3.106 -9.224 -5.263 710 HG13 VAL 98 HG13 VAL 98 -1.417 -8.708 -5.212 711 HG21 VAL 98 HG21 VAL 98 -2.512 -11.616 -4.686 712 HG22 VAL 98 HG22 VAL 98 -1.577 -11.983 -3.235 713 HG23 VAL 98 HG23 VAL 98 -0.785 -11.237 -4.625 714 H LEU 99 H LEU 99 1.138 -10.791 -1.892 715 HA LEU 99 HA LEU 99 3.296 -9.329 -2.938 716 HB2 LEU 99 HB2 LEU 99 3.103 -12.285 -2.276 717 HB3 LEU 99 HB3 LEU 99 4.618 -11.450 -2.600 718 HG LEU 99 HG LEU 99 2.740 -10.893 -0.270 719 HD11 LEU 99 HD11 LEU 99 3.939 -13.002 -0.010 720 HD12 LEU 99 HD12 LEU 99 4.508 -11.794 1.139 721 HD13 LEU 99 HD13 LEU 99 5.479 -12.180 -0.285 722 HD21 LEU 99 HD21 LEU 99 5.402 -9.601 -0.943 723 HD22 LEU 99 HD22 LEU 99 4.482 -9.363 0.544 724 HD23 LEU 99 HD23 LEU 99 3.813 -8.827 -0.993 725 H GLN 100 H GLN 100 1.564 -12.084 -4.333 726 HA GLN 100 HA GLN 100 3.399 -12.512 -6.511 727 HB2 GLN 100 HB2 GLN 100 1.732 -14.268 -7.197 728 HB3 GLN 100 HB3 GLN 100 2.277 -14.407 -5.529 729 HG2 GLN 100 HG2 GLN 100 0.154 -13.237 -4.819 730 HG3 GLN 100 HG3 GLN 100 -0.396 -13.334 -6.490 731 HE21 GLN 100 HE21 GLN 100 -1.002 -15.367 -7.315 732 HE22 GLN 100 HE22 GLN 100 -1.287 -16.723 -6.290 733 H SER 101 H SER 101 1.579 -9.923 -6.272 734 HA SER 101 HA SER 101 1.181 -9.687 -9.190 735 HB2 SER 101 HB2 SER 101 -1.029 -10.084 -8.068 736 HB3 SER 101 HB3 SER 101 -0.776 -8.622 -7.108 737 HG SER 101 HG SER 101 -0.522 -7.594 -9.303 738 H THR 102 H THR 102 2.680 -8.439 -6.433 739 HA THR 102 HA THR 102 2.681 -5.618 -7.265 740 HB THR 102 HB THR 102 4.070 -6.951 -4.883 741 HG1 THR 102 HG1 THR 102 1.508 -5.834 -5.255 742 HG21 THR 102 HG21 THR 102 4.284 -4.679 -3.962 743 HG22 THR 102 HG22 THR 102 3.556 -3.994 -5.415 744 HG23 THR 102 HG23 THR 102 5.134 -4.786 -5.506 745 H GLU 103 H GLU 103 4.221 -4.842 -8.655 746 HA GLU 103 HA GLU 103 6.488 -6.298 -9.557 747 HB2 GLU 103 HB2 GLU 103 5.785 -3.350 -9.817 748 HB3 GLU 103 HB3 GLU 103 7.210 -4.046 -10.568 749 HG2 GLU 103 HG2 GLU 103 5.576 -3.896 -12.262 750 HG3 GLU 103 HG3 GLU 103 5.684 -5.604 -11.844 751 H LYS 104 H LYS 104 8.768 -5.786 -9.335 752 HA LYS 104 HA LYS 104 9.621 -5.525 -6.624 753 HB2 LYS 104 HB2 LYS 104 10.693 -6.902 -8.521 754 HB3 LYS 104 HB3 LYS 104 11.423 -5.408 -9.080 755 HG2 LYS 104 HG2 LYS 104 11.890 -6.393 -6.254 756 HG3 LYS 104 HG3 LYS 104 12.810 -7.064 -7.599 757 HD2 LYS 104 HD2 LYS 104 13.757 -4.877 -8.118 758 HD3 LYS 104 HD3 LYS 104 12.722 -4.096 -6.924 759 HE2 LYS 104 HE2 LYS 104 14.963 -4.331 -6.017 760 HE3 LYS 104 HE3 LYS 104 13.855 -5.374 -5.124 761 HZ1 LYS 104 HZ1 LYS 104 14.645 -7.251 -6.435 762 HZ2 LYS 104 HZ2 LYS 104 15.912 -6.510 -5.604 763 HZ3 LYS 104 HZ3 LYS 104 15.724 -6.246 -7.265 764 H SER 105 H SER 105 9.124 -3.154 -9.102 765 HA SER 105 HA SER 105 10.835 -1.047 -8.403 766 HB2 SER 105 HB2 SER 105 9.428 -0.999 -10.433 767 HB3 SER 105 HB3 SER 105 7.975 -0.868 -9.445 768 HG SER 105 HG SER 105 10.002 1.044 -9.903 769 H ALA 106 H ALA 106 7.944 -2.196 -6.794 770 HA ALA 106 HA ALA 106 7.262 -0.125 -5.068 771 HB1 ALA 106 HB1 ALA 106 7.229 -3.101 -4.473 772 HB2 ALA 106 HB2 ALA 106 5.961 -2.202 -5.307 773 HB3 ALA 106 HB3 ALA 106 6.306 -1.859 -3.611 774 H LEU 107 H LEU 107 9.862 -2.534 -4.709 775 HA LEU 107 HA LEU 107 10.412 -2.143 -1.961 776 HB2 LEU 107 HB2 LEU 107 11.919 -3.472 -4.209 777 HB3 LEU 107 HB3 LEU 107 12.718 -3.249 -2.663 778 HG LEU 107 HG LEU 107 10.924 -4.573 -1.540 779 HD11 LEU 107 HD11 LEU 107 9.864 -5.117 -4.337 780 HD12 LEU 107 HD12 LEU 107 9.055 -4.177 -3.078 781 HD13 LEU 107 HD13 LEU 107 9.330 -5.902 -2.847 782 HD21 LEU 107 HD21 LEU 107 12.292 -6.042 -3.829 783 HD22 LEU 107 HD22 LEU 107 11.648 -6.771 -2.354 784 HD23 LEU 107 HD23 LEU 107 13.013 -5.661 -2.260 785 H ARG 108 H ARG 108 11.148 0.016 -4.477 786 HA ARG 108 HA ARG 108 13.448 1.253 -3.194 787 HB2 ARG 108 HB2 ARG 108 11.674 2.303 -5.430 788 HB3 ARG 108 HB3 ARG 108 13.216 2.995 -4.927 789 HG2 ARG 108 HG2 ARG 108 14.312 0.810 -5.589 790 HG3 ARG 108 HG3 ARG 108 12.756 0.306 -6.262 791 HD2 ARG 108 HD2 ARG 108 14.237 1.217 -8.012 792 HD3 ARG 108 HD3 ARG 108 12.796 2.223 -7.816 793 HE ARG 108 HE ARG 108 14.721 3.331 -6.170 794 HH11 ARG 108 HH11 ARG 108 14.420 2.816 -9.575 795 HH12 ARG 108 HH12 ARG 108 15.458 4.137 -9.967 796 HH21 ARG 108 HH21 ARG 108 16.004 5.009 -6.676 797 HH22 ARG 108 HH22 ARG 108 16.339 5.385 -8.327 798 H TYR 109 H TYR 109 9.984 1.681 -3.227 799 HA TYR 109 HA TYR 109 10.061 4.235 -1.732 800 HB2 TYR 109 HB2 TYR 109 7.714 2.860 -3.126 801 HB3 TYR 109 HB3 TYR 109 7.730 4.501 -2.479 802 HD1 TYR 109 HD1 TYR 109 9.079 2.320 -5.181 803 HD2 TYR 109 HD2 TYR 109 8.724 6.334 -3.752 804 HE1 TYR 109 HE1 TYR 109 9.908 3.156 -7.335 805 HE2 TYR 109 HE2 TYR 109 9.562 7.170 -5.904 806 HH TYR 109 HH TYR 109 10.938 6.354 -7.800 807 H VAL 110 H VAL 110 9.270 0.893 -1.408 808 HA VAL 110 HA VAL 110 8.411 1.247 1.389 809 HB VAL 110 HB VAL 110 6.404 0.857 -0.220 810 HG11 VAL 110 HG11 VAL 110 7.534 -1.959 -0.390 811 HG12 VAL 110 HG12 VAL 110 7.394 -0.808 -1.721 812 HG13 VAL 110 HG13 VAL 110 5.940 -1.450 -0.960 813 HG21 VAL 110 HG21 VAL 110 6.788 -1.153 2.018 814 HG22 VAL 110 HG22 VAL 110 5.245 -0.688 1.301 815 HG23 VAL 110 HG23 VAL 110 6.193 0.498 2.196 816 H SER 111 H SER 111 8.638 -0.973 2.577 817 HA SER 111 HA SER 111 10.981 -2.467 1.594 818 HB2 SER 111 HB2 SER 111 11.062 -1.864 3.926 819 HB3 SER 111 HB3 SER 111 9.481 -2.575 4.240 820 HG SER 111 HG SER 111 11.623 -3.774 4.687 821 H LEU 112 H LEU 112 10.977 -4.690 1.121 822 HA LEU 112 HA LEU 112 8.659 -6.059 0.307 823 HB2 LEU 112 HB2 LEU 112 10.733 -6.880 -0.502 824 HB3 LEU 112 HB3 LEU 112 11.410 -6.995 1.096 825 HG LEU 112 HG LEU 112 9.104 -8.840 0.471 826 HD11 LEU 112 HD11 LEU 112 10.511 -10.515 -0.586 827 HD12 LEU 112 HD12 LEU 112 11.893 -9.412 -0.567 828 HD13 LEU 112 HD13 LEU 112 10.479 -9.039 -1.556 829 HD21 LEU 112 HD21 LEU 112 10.397 -10.443 1.868 830 HD22 LEU 112 HD22 LEU 112 10.058 -8.938 2.721 831 HD23 LEU 112 HD23 LEU 112 11.675 -9.233 2.059 832 H ALA 113 H ALA 113 10.379 -6.080 3.428 833 HA ALA 113 HA ALA 113 8.851 -8.024 4.792 834 HB1 ALA 113 HB1 ALA 113 11.013 -7.194 5.612 835 HB2 ALA 113 HB2 ALA 113 9.772 -7.015 6.856 836 HB3 ALA 113 HB3 ALA 113 10.309 -5.609 5.927 837 H ASP 114 H ASP 114 8.287 -4.627 4.194 838 HA ASP 114 HA ASP 114 6.085 -4.122 5.914 839 HB2 ASP 114 HB2 ASP 114 7.673 -2.511 4.560 840 HB3 ASP 114 HB3 ASP 114 6.549 -2.753 3.235 841 H LEU 115 H LEU 115 6.368 -5.256 2.548 842 HA LEU 115 HA LEU 115 3.611 -5.351 1.845 843 HB2 LEU 115 HB2 LEU 115 5.877 -7.063 0.745 844 HB3 LEU 115 HB3 LEU 115 4.321 -6.785 -0.024 845 HG LEU 115 HG LEU 115 6.519 -4.717 0.375 846 HD11 LEU 115 HD11 LEU 115 5.544 -6.069 -2.155 847 HD12 LEU 115 HD12 LEU 115 7.092 -6.342 -1.347 848 HD13 LEU 115 HD13 LEU 115 6.742 -4.771 -2.065 849 HD21 LEU 115 HD21 LEU 115 4.341 -3.654 0.508 850 HD22 LEU 115 HD22 LEU 115 3.843 -4.417 -1.004 851 HD23 LEU 115 HD23 LEU 115 5.150 -3.229 -0.998 852 H GLN 116 H GLN 116 5.905 -7.856 2.926 853 HA GLN 116 HA GLN 116 4.090 -10.056 2.804 854 HB2 GLN 116 HB2 GLN 116 6.748 -9.970 4.295 855 HB3 GLN 116 HB3 GLN 116 5.912 -11.396 3.694 856 HG2 GLN 116 HG2 GLN 116 6.234 -10.069 1.358 857 HG3 GLN 116 HG3 GLN 116 7.610 -9.423 2.237 858 HE21 GLN 116 HE21 GLN 116 7.612 -11.163 -0.113 859 HE22 GLN 116 HE22 GLN 116 8.492 -12.578 0.340 860 H ALA 117 H ALA 117 5.094 -7.874 5.375 861 HA ALA 117 HA ALA 117 3.990 -9.050 7.654 862 HB1 ALA 117 HB1 ALA 117 5.266 -6.943 7.702 863 HB2 ALA 117 HB2 ALA 117 3.732 -6.777 8.560 864 HB3 ALA 117 HB3 ALA 117 3.920 -6.098 6.938 865 H HIS 118 H HIS 118 2.296 -7.306 5.063 866 HA HIS 118 HA HIS 118 -0.347 -7.996 6.260 867 HB2 HIS 118 HB2 HIS 118 0.524 -5.644 4.530 868 HB3 HIS 118 HB3 HIS 118 -1.175 -6.088 4.686 869 HD1 HIS 118 HD1 HIS 118 -2.349 -4.835 6.458 870 HD2 HIS 118 HD2 HIS 118 1.696 -5.238 7.318 871 HE1 HIS 118 HE1 HIS 118 -2.009 -3.657 8.644 872 HE2 HIS 118 HE2 HIS 118 0.391 -4.099 9.244 873 H ALA 119 H ALA 119 1.347 -9.765 4.605 874 HA ALA 119 HA ALA 119 -0.634 -10.426 2.514 875 HB1 ALA 119 HB1 ALA 119 1.224 -9.216 1.435 876 HB2 ALA 119 HB2 ALA 119 1.145 -10.897 0.903 877 HB3 ALA 119 HB3 ALA 119 2.368 -10.399 2.077 878 H LEU 120 H LEU 120 0.004 -12.624 1.493 879 HA LEU 120 HA LEU 120 0.164 -14.649 3.576 880 HB2 LEU 120 HB2 LEU 120 -0.598 -16.203 1.954 881 HB3 LEU 120 HB3 LEU 120 -1.481 -14.727 1.623 882 HG LEU 120 HG LEU 120 0.972 -15.577 0.014 883 HD11 LEU 120 HD11 LEU 120 -1.928 -16.136 -0.638 884 HD12 LEU 120 HD12 LEU 120 -0.691 -17.321 -0.198 885 HD13 LEU 120 HD13 LEU 120 -0.547 -16.421 -1.705 886 HD21 LEU 120 HD21 LEU 120 0.433 -13.181 -0.175 887 HD22 LEU 120 HD22 LEU 120 -1.216 -13.575 -0.666 888 HD23 LEU 120 HD23 LEU 120 0.145 -14.024 -1.700 889 HA PRO 121 HA PRO 121 4.410 -16.377 2.726 890 HB2 PRO 121 HB2 PRO 121 2.786 -18.911 2.332 891 HB3 PRO 121 HB3 PRO 121 4.317 -18.684 3.187 892 HG2 PRO 121 HG2 PRO 121 2.087 -18.865 4.597 893 HG3 PRO 121 HG3 PRO 121 3.274 -17.613 5.028 894 HD2 PRO 121 HD2 PRO 121 0.672 -17.323 3.526 895 HD3 PRO 121 HD3 PRO 121 1.400 -16.247 4.743 896 H VAL 122 H VAL 122 5.223 -15.749 0.745 897 HA VAL 122 HA VAL 122 4.001 -16.607 -1.767 898 HB VAL 122 HB VAL 122 4.896 -14.324 -1.647 899 HG11 VAL 122 HG11 VAL 122 7.655 -15.539 -1.239 900 HG12 VAL 122 HG12 VAL 122 6.737 -14.615 -0.048 901 HG13 VAL 122 HG13 VAL 122 7.316 -13.827 -1.517 902 HG21 VAL 122 HG21 VAL 122 4.849 -15.398 -3.856 903 HG22 VAL 122 HG22 VAL 122 6.473 -16.042 -3.604 904 HG23 VAL 122 HG23 VAL 122 6.227 -14.299 -3.741 905 H LEU 123 H LEU 123 4.608 -18.362 -2.942 906 HA LEU 123 HA LEU 123 7.239 -19.559 -2.710 907 HB2 LEU 123 HB2 LEU 123 6.281 -21.845 -2.225 908 HB3 LEU 123 HB3 LEU 123 6.302 -20.682 -0.918 909 HG LEU 123 HG LEU 123 3.768 -20.252 -1.688 910 HD11 LEU 123 HD11 LEU 123 2.605 -22.285 -2.378 911 HD12 LEU 123 HD12 LEU 123 4.145 -23.128 -2.563 912 HD13 LEU 123 HD13 LEU 123 3.757 -21.759 -3.606 913 HD21 LEU 123 HD21 LEU 123 3.035 -21.796 0.059 914 HD22 LEU 123 HD22 LEU 123 4.492 -20.920 0.531 915 HD23 LEU 123 HD23 LEU 123 4.609 -22.603 0.018 916 H GLU 124 H GLU 124 7.889 -20.690 -4.546 917 HA GLU 124 HA GLU 124 6.033 -21.801 -6.445 918 HB2 GLU 124 HB2 GLU 124 6.115 -19.391 -7.140 919 HB3 GLU 124 HB3 GLU 124 7.860 -19.527 -7.359 920 HG2 GLU 124 HG2 GLU 124 7.474 -21.268 -9.099 921 HG3 GLU 124 HG3 GLU 124 5.741 -21.059 -8.881 922 H HIS 125 H HIS 125 6.968 -23.494 -7.592 923 HA HIS 125 HA HIS 125 9.811 -23.566 -8.176 924 HB2 HIS 125 HB2 HIS 125 9.750 -24.537 -5.865 925 HB3 HIS 125 HB3 HIS 125 8.646 -25.787 -6.422 926 HD1 HIS 125 HD1 HIS 125 9.666 -27.762 -7.751 927 HD2 HIS 125 HD2 HIS 125 12.456 -24.861 -6.701 928 HE1 HIS 125 HE1 HIS 125 11.909 -28.770 -8.253 929 HE2 HIS 125 HE2 HIS 125 13.579 -27.058 -7.478 930 H HIS 126 H HIS 126 10.115 -24.504 -10.114 931 HA HIS 126 HA HIS 126 8.092 -26.343 -11.291 932 HB2 HIS 126 HB2 HIS 126 10.179 -24.594 -12.699 933 HB3 HIS 126 HB3 HIS 126 8.999 -25.627 -13.500 934 HD1 HIS 126 HD1 HIS 126 7.072 -24.338 -14.379 935 HD2 HIS 126 HD2 HIS 126 8.697 -22.496 -11.023 936 HE1 HIS 126 HE1 HIS 126 5.743 -22.236 -14.056 937 HE2 HIS 126 HE2 HIS 126 6.628 -21.230 -11.935 938 H HIS 127 H HIS 127 8.936 -28.294 -12.371 939 HA HIS 127 HA HIS 127 11.733 -29.034 -11.805 940 HB2 HIS 127 HB2 HIS 127 10.536 -29.640 -9.742 941 HB3 HIS 127 HB3 HIS 127 9.344 -30.549 -10.665 942 HD1 HIS 127 HD1 HIS 127 9.734 -32.975 -10.363 943 HD2 HIS 127 HD2 HIS 127 13.318 -30.881 -10.452 944 HE1 HIS 127 HE1 HIS 127 11.525 -34.706 -10.114 945 HE2 HIS 127 HE2 HIS 127 13.670 -33.437 -10.407 946 H HIS 128 H HIS 128 8.623 -30.460 -12.951 947 HA HIS 128 HA HIS 128 8.052 -31.936 -14.544 948 HB2 HIS 128 HB2 HIS 128 10.615 -30.976 -15.847 949 HB3 HIS 128 HB3 HIS 128 9.730 -32.328 -16.543 950 HD1 HIS 128 HD1 HIS 128 9.304 -28.644 -15.774 951 HD2 HIS 128 HD2 HIS 128 7.594 -31.631 -18.101 952 HE1 HIS 128 HE1 HIS 128 7.658 -27.474 -17.264 953 HE2 HIS 128 HE2 HIS 128 6.505 -29.322 -18.513 954 H HIS 129 H HIS 129 8.209 -34.136 -15.070 955 HA HIS 129 HA HIS 129 10.138 -35.705 -13.470 956 HB2 HIS 129 HB2 HIS 129 7.711 -36.167 -13.123 957 HB3 HIS 129 HB3 HIS 129 7.536 -36.582 -14.825 958 HD1 HIS 129 HD1 HIS 129 9.996 -37.728 -12.135 959 HD2 HIS 129 HD2 HIS 129 7.378 -39.300 -14.956 960 HE1 HIS 129 HE1 HIS 129 10.228 -40.219 -11.948 961 HE2 HIS 129 HE2 HIS 129 8.670 -41.150 -13.686 962 H HIS 130 H HIS 130 11.784 -36.719 -14.447 963 HA HIS 130 HA HIS 130 12.256 -36.619 -17.259 964 HB2 HIS 130 HB2 HIS 130 14.099 -36.544 -15.600 965 HB3 HIS 130 HB3 HIS 130 13.730 -38.186 -15.088 966 HD1 HIS 130 HD1 HIS 130 15.378 -36.234 -17.823 967 HD2 HIS 130 HD2 HIS 130 14.677 -40.211 -16.846 968 HE1 HIS 130 HE1 HIS 130 16.815 -37.568 -19.383 969 HE2 HIS 130 HE2 HIS 130 16.250 -39.968 -18.883 Start of MODEL 19 1 H1 MET 1 H1 MET 1 30.532 21.140 19.414 2 H2 MET 1 H2 MET 1 31.881 22.053 18.961 3 H3 MET 1 H3 MET 1 32.026 20.893 20.180 4 HA MET 1 HA MET 1 31.425 20.368 17.327 5 HB2 MET 1 HB2 MET 1 33.758 21.086 17.704 6 HB3 MET 1 HB3 MET 1 33.958 19.861 18.946 7 HG2 MET 1 HG2 MET 1 33.731 18.095 17.259 8 HG3 MET 1 HG3 MET 1 33.465 19.306 16.004 9 HE1 MET 1 HE1 MET 1 35.596 21.594 16.804 10 HE2 MET 1 HE2 MET 1 35.379 21.012 15.151 11 HE3 MET 1 HE3 MET 1 36.993 21.080 15.857 12 H GLY 2 H GLY 2 30.334 18.520 17.013 13 HA2 GLY 2 HA2 GLY 2 30.878 16.085 18.503 14 HA3 GLY 2 HA3 GLY 2 29.271 16.752 18.777 15 H GLN 3 H GLN 3 30.930 14.557 16.925 16 HA GLN 3 HA GLN 3 29.782 14.964 14.329 17 HB2 GLN 3 HB2 GLN 3 31.084 12.497 15.541 18 HB3 GLN 3 HB3 GLN 3 30.673 12.680 13.836 19 HG2 GLN 3 HG2 GLN 3 32.240 14.574 13.646 20 HG3 GLN 3 HG3 GLN 3 32.644 14.428 15.354 21 HE21 GLN 3 HE21 GLN 3 33.910 12.640 16.032 22 HE22 GLN 3 HE22 GLN 3 34.835 11.707 14.912 23 H GLY 4 H GLY 4 27.781 14.521 13.653 24 HA2 GLY 4 HA2 GLY 4 25.780 13.212 15.212 25 HA3 GLY 4 HA3 GLY 4 25.618 13.757 13.553 26 H GLN 5 H GLN 5 24.801 11.217 14.999 27 HA GLN 5 HA GLN 5 25.695 9.288 12.975 28 HB2 GLN 5 HB2 GLN 5 26.287 7.591 14.753 29 HB3 GLN 5 HB3 GLN 5 27.389 8.961 14.664 30 HG2 GLN 5 HG2 GLN 5 26.231 9.986 16.619 31 HG3 GLN 5 HG3 GLN 5 25.198 8.561 16.727 32 HE21 GLN 5 HE21 GLN 5 25.925 8.075 18.817 33 HE22 GLN 5 HE22 GLN 5 27.512 7.479 19.139 34 H ASN 6 H ASN 6 24.374 7.252 12.991 35 HA ASN 6 HA ASN 6 21.582 7.852 13.847 36 HB2 ASN 6 HB2 ASN 6 22.526 6.562 11.251 37 HB3 ASN 6 HB3 ASN 6 20.840 6.762 11.712 38 HD21 ASN 6 HD21 ASN 6 19.988 8.903 11.834 39 HD22 ASN 6 HD22 ASN 6 20.730 10.191 10.959 40 H VAL 7 H VAL 7 20.164 5.769 13.390 41 HA VAL 7 HA VAL 7 21.054 3.801 15.379 42 HB VAL 7 HB VAL 7 18.772 3.272 15.729 43 HG11 VAL 7 HG11 VAL 7 18.776 6.183 14.868 44 HG12 VAL 7 HG12 VAL 7 19.259 5.565 16.456 45 HG13 VAL 7 HG13 VAL 7 17.579 5.429 15.931 46 HG21 VAL 7 HG21 VAL 7 16.892 3.815 14.168 47 HG22 VAL 7 HG22 VAL 7 18.077 2.752 13.412 48 HG23 VAL 7 HG23 VAL 7 18.054 4.467 13.005 49 H LEU 8 H LEU 8 21.101 4.063 12.072 50 HA LEU 8 HA LEU 8 19.582 1.913 11.122 51 HB2 LEU 8 HB2 LEU 8 21.821 3.409 9.739 52 HB3 LEU 8 HB3 LEU 8 20.557 2.471 8.972 53 HG LEU 8 HG LEU 8 20.003 4.962 10.610 54 HD11 LEU 8 HD11 LEU 8 19.670 6.124 8.477 55 HD12 LEU 8 HD12 LEU 8 20.222 4.691 7.607 56 HD13 LEU 8 HD13 LEU 8 21.328 5.561 8.672 57 HD21 LEU 8 HD21 LEU 8 18.092 3.417 10.489 58 HD22 LEU 8 HD22 LEU 8 18.198 3.395 8.727 59 HD23 LEU 8 HD23 LEU 8 17.773 4.888 9.571 60 H GLY 9 H GLY 9 23.151 2.259 11.315 61 HA2 GLY 9 HA2 GLY 9 24.840 0.672 11.527 62 HA3 GLY 9 HA3 GLY 9 23.625 -0.597 11.612 63 H GLN 10 H GLN 10 22.289 -0.485 9.359 64 HA GLN 10 HA GLN 10 23.856 0.027 7.002 65 HB2 GLN 10 HB2 GLN 10 23.692 -2.191 6.033 66 HB3 GLN 10 HB3 GLN 10 24.478 -2.325 7.599 67 HG2 GLN 10 HG2 GLN 10 21.568 -3.027 7.071 68 HG3 GLN 10 HG3 GLN 10 22.892 -4.182 7.081 69 HE21 GLN 10 HE21 GLN 10 20.807 -2.204 9.049 70 HE22 GLN 10 HE22 GLN 10 21.244 -2.893 10.570 71 H ASP 11 H ASP 11 22.509 1.056 5.682 72 HA ASP 11 HA ASP 11 19.588 0.906 6.148 73 HB2 ASP 11 HB2 ASP 11 19.515 3.199 5.227 74 HB3 ASP 11 HB3 ASP 11 20.604 3.074 6.608 75 H LEU 12 H LEU 12 22.039 0.466 3.718 76 HA LEU 12 HA LEU 12 20.353 0.309 1.417 77 HB2 LEU 12 HB2 LEU 12 23.121 -0.878 1.952 78 HB3 LEU 12 HB3 LEU 12 22.305 -1.005 0.408 79 HG LEU 12 HG LEU 12 23.950 0.721 0.213 80 HD11 LEU 12 HD11 LEU 12 21.854 1.179 -0.935 81 HD12 LEU 12 HD12 LEU 12 22.639 2.670 -0.422 82 HD13 LEU 12 HD13 LEU 12 21.247 2.054 0.475 83 HD21 LEU 12 HD21 LEU 12 24.079 2.701 1.637 84 HD22 LEU 12 HD22 LEU 12 24.320 1.228 2.572 85 HD23 LEU 12 HD23 LEU 12 22.774 2.079 2.654 86 H GLU 13 H GLU 13 18.574 -1.051 1.797 87 HA GLU 13 HA GLU 13 18.815 -3.780 2.689 88 HB2 GLU 13 HB2 GLU 13 16.533 -2.359 1.262 89 HB3 GLU 13 HB3 GLU 13 16.435 -3.983 1.944 90 HG2 GLU 13 HG2 GLU 13 17.012 -2.931 4.203 91 HG3 GLU 13 HG3 GLU 13 16.785 -1.363 3.435 92 H VAL 14 H VAL 14 17.850 -5.578 1.166 93 HA VAL 14 HA VAL 14 18.930 -5.393 -1.558 94 HB VAL 14 HB VAL 14 20.856 -6.044 -0.157 95 HG11 VAL 14 HG11 VAL 14 20.979 -8.186 1.047 96 HG12 VAL 14 HG12 VAL 14 19.296 -8.528 0.643 97 HG13 VAL 14 HG13 VAL 14 19.690 -7.171 1.701 98 HG21 VAL 14 HG21 VAL 14 20.782 -6.872 -2.466 99 HG22 VAL 14 HG22 VAL 14 19.928 -8.322 -1.940 100 HG23 VAL 14 HG23 VAL 14 21.590 -8.039 -1.417 101 H CYS 15 H CYS 15 17.704 -6.460 -3.003 102 HA CYS 15 HA CYS 15 15.364 -7.938 -2.293 103 HB2 CYS 15 HB2 CYS 15 16.723 -7.501 -4.975 104 HB3 CYS 15 HB3 CYS 15 15.203 -8.378 -4.798 105 HG CYS 15 HG CYS 15 13.649 -6.304 -4.171 106 H CYS 16 H CYS 16 18.638 -8.924 -2.741 107 HA CYS 16 HA CYS 16 18.214 -11.689 -3.367 108 HB2 CYS 16 HB2 CYS 16 20.610 -10.434 -1.956 109 HB3 CYS 16 HB3 CYS 16 20.564 -12.033 -2.701 110 HG CYS 16 HG CYS 16 22.047 -10.374 -4.355 111 H CYS 17 H CYS 17 18.407 -9.890 -0.340 112 HA CYS 17 HA CYS 17 18.089 -10.303 1.835 113 HB2 CYS 17 HB2 CYS 17 15.935 -11.284 1.243 114 HB3 CYS 17 HB3 CYS 17 16.696 -12.838 0.920 115 HG CYS 17 HG CYS 17 17.242 -11.680 4.018 116 H ALA 18 H ALA 18 18.706 -13.642 0.688 117 HA ALA 18 HA ALA 18 21.297 -13.714 2.055 118 HB1 ALA 18 HB1 ALA 18 20.818 -15.765 3.298 119 HB2 ALA 18 HB2 ALA 18 19.159 -15.776 2.692 120 HB3 ALA 18 HB3 ALA 18 19.696 -14.485 3.766 121 HA PRO 19 HA PRO 19 21.196 -17.395 -1.198 122 HB2 PRO 19 HB2 PRO 19 19.083 -17.587 -2.940 123 HB3 PRO 19 HB3 PRO 19 19.131 -18.428 -1.385 124 HG2 PRO 19 HG2 PRO 19 17.803 -15.802 -2.068 125 HG3 PRO 19 HG3 PRO 19 17.128 -17.195 -1.194 126 HD2 PRO 19 HD2 PRO 19 18.075 -15.053 0.139 127 HD3 PRO 19 HD3 PRO 19 18.308 -16.698 0.777 128 H MET 20 H MET 20 21.722 -17.392 -3.534 129 HA MET 20 HA MET 20 22.783 -14.730 -4.183 130 HB2 MET 20 HB2 MET 20 24.501 -16.006 -5.504 131 HB3 MET 20 HB3 MET 20 24.473 -16.405 -3.793 132 HG2 MET 20 HG2 MET 20 23.175 -18.105 -5.946 133 HG3 MET 20 HG3 MET 20 24.794 -18.374 -5.302 134 HE1 MET 20 HE1 MET 20 22.682 -21.348 -3.752 135 HE2 MET 20 HE2 MET 20 24.013 -20.921 -4.824 136 HE3 MET 20 HE3 MET 20 22.345 -20.615 -5.322 137 H THR 21 H THR 21 20.335 -14.580 -4.997 138 HA THR 21 HA THR 21 19.694 -15.564 -7.611 139 HB THR 21 HB THR 21 17.888 -14.926 -6.097 140 HG1 THR 21 HG1 THR 21 17.587 -12.956 -8.075 141 HG21 THR 21 HG21 THR 21 18.985 -13.050 -4.908 142 HG22 THR 21 HG22 THR 21 17.398 -12.582 -5.521 143 HG23 THR 21 HG23 THR 21 18.857 -12.055 -6.361 144 H GLY 22 H GLY 22 21.566 -12.814 -6.552 145 HA2 GLY 22 HA2 GLY 22 22.778 -12.308 -8.996 146 HA3 GLY 22 HA3 GLY 22 21.397 -11.217 -8.931 147 H TRP 23 H TRP 23 23.601 -9.908 -9.170 148 HA TRP 23 HA TRP 23 24.675 -9.080 -6.557 149 HB2 TRP 23 HB2 TRP 23 25.362 -8.163 -9.388 150 HB3 TRP 23 HB3 TRP 23 26.179 -7.615 -7.931 151 HD1 TRP 23 HD1 TRP 23 25.743 -10.864 -10.037 152 HE1 TRP 23 HE1 TRP 23 27.811 -12.343 -9.649 153 HE3 TRP 23 HE3 TRP 23 28.084 -8.090 -6.408 154 HZ2 TRP 23 HZ2 TRP 23 30.121 -12.347 -8.034 155 HZ3 TRP 23 HZ3 TRP 23 30.226 -8.908 -5.499 156 HH2 TRP 23 HH2 TRP 23 31.221 -10.995 -6.298 157 H TYR 24 H TYR 24 23.136 -7.602 -9.416 158 HA TYR 24 HA TYR 24 21.719 -5.909 -9.812 159 HB2 TYR 24 HB2 TYR 24 21.046 -5.918 -6.837 160 HB3 TYR 24 HB3 TYR 24 20.082 -5.188 -8.119 161 HD1 TYR 24 HD1 TYR 24 19.394 -6.900 -10.083 162 HD2 TYR 24 HD2 TYR 24 20.396 -8.069 -6.094 163 HE1 TYR 24 HE1 TYR 24 18.211 -9.024 -10.406 164 HE2 TYR 24 HE2 TYR 24 19.202 -10.197 -6.425 165 HH TYR 24 HH TYR 24 18.171 -11.265 -9.518 166 H ARG 25 H ARG 25 24.503 -5.446 -8.199 167 HA ARG 25 HA ARG 25 25.861 -3.801 -7.526 168 HB2 ARG 25 HB2 ARG 25 25.404 -2.959 -9.855 169 HB3 ARG 25 HB3 ARG 25 24.133 -1.938 -9.200 170 HG2 ARG 25 HG2 ARG 25 26.093 -0.571 -9.548 171 HG3 ARG 25 HG3 ARG 25 25.854 -0.750 -7.809 172 HD2 ARG 25 HD2 ARG 25 28.228 -0.988 -8.326 173 HD3 ARG 25 HD3 ARG 25 27.593 -2.547 -7.786 174 HE ARG 25 HE ARG 25 27.774 -1.996 -10.670 175 HH11 ARG 25 HH11 ARG 25 28.907 -3.861 -7.972 176 HH12 ARG 25 HH12 ARG 25 29.809 -4.936 -8.980 177 HH21 ARG 25 HH21 ARG 25 28.930 -3.398 -11.913 178 HH22 ARG 25 HH22 ARG 25 29.829 -4.673 -11.167 179 H ASN 26 H ASN 26 22.815 -1.927 -7.621 180 HA ASN 26 HA ASN 26 23.066 -0.584 -5.157 181 HB2 ASN 26 HB2 ASN 26 20.425 -1.346 -6.482 182 HB3 ASN 26 HB3 ASN 26 20.746 0.061 -5.473 183 HD21 ASN 26 HD21 ASN 26 21.928 1.805 -6.391 184 HD22 ASN 26 HD22 ASN 26 22.089 1.982 -8.100 185 H GLY 27 H GLY 27 21.933 -3.794 -5.899 186 HA2 GLY 27 HA2 GLY 27 21.741 -5.554 -4.325 187 HA3 GLY 27 HA3 GLY 27 21.361 -4.390 -3.064 188 H PHE 28 H PHE 28 19.381 -2.915 -4.486 189 HA PHE 28 HA PHE 28 17.197 -4.884 -4.830 190 HB2 PHE 28 HB2 PHE 28 15.682 -3.497 -3.496 191 HB3 PHE 28 HB3 PHE 28 17.085 -3.981 -2.553 192 HD1 PHE 28 HD1 PHE 28 19.069 -2.148 -2.510 193 HD2 PHE 28 HD2 PHE 28 14.966 -1.258 -3.334 194 HE1 PHE 28 HE1 PHE 28 19.446 0.195 -1.873 195 HE2 PHE 28 HE2 PHE 28 15.350 1.083 -2.699 196 HZ PHE 28 HZ PHE 28 17.590 1.814 -1.970 197 H CYS 29 H CYS 29 17.035 -4.774 -6.979 198 HA CYS 29 HA CYS 29 15.470 -2.757 -8.205 199 HB2 CYS 29 HB2 CYS 29 17.144 -2.055 -9.992 200 HB3 CYS 29 HB3 CYS 29 17.474 -1.409 -8.392 201 HG CYS 29 HG CYS 29 19.963 -1.998 -8.716 202 H GLN 30 H GLN 30 15.625 -3.149 -10.803 203 HA GLN 30 HA GLN 30 15.057 -4.470 -12.528 204 HB2 GLN 30 HB2 GLN 30 16.927 -6.468 -11.200 205 HB3 GLN 30 HB3 GLN 30 16.204 -6.720 -12.787 206 HG2 GLN 30 HG2 GLN 30 17.373 -4.748 -13.656 207 HG3 GLN 30 HG3 GLN 30 18.059 -4.422 -12.064 208 HE21 GLN 30 HE21 GLN 30 19.751 -5.739 -11.315 209 HE22 GLN 30 HE22 GLN 30 20.612 -6.812 -12.352 210 H THR 31 H THR 31 12.872 -4.420 -11.725 211 HA THR 31 HA THR 31 11.730 -6.741 -10.431 212 HB THR 31 HB THR 31 10.623 -4.538 -10.268 213 HG1 THR 31 HG1 THR 31 8.954 -6.431 -11.614 214 HG21 THR 31 HG21 THR 31 9.948 -4.887 -13.215 215 HG22 THR 31 HG22 THR 31 11.031 -3.666 -12.544 216 HG23 THR 31 HG23 THR 31 9.311 -3.625 -12.154 217 H ASP 32 H ASP 32 12.799 -6.184 -13.577 218 HA ASP 32 HA ASP 32 12.683 -7.170 -15.581 219 HB2 ASP 32 HB2 ASP 32 11.547 -9.583 -14.139 220 HB3 ASP 32 HB3 ASP 32 12.300 -9.575 -15.728 221 H VAL 33 H VAL 33 9.835 -8.869 -14.329 222 HA VAL 33 HA VAL 33 7.937 -9.469 -15.317 223 HB VAL 33 HB VAL 33 7.162 -7.666 -13.928 224 HG11 VAL 33 HG11 VAL 33 7.427 -5.756 -16.271 225 HG12 VAL 33 HG12 VAL 33 8.411 -5.745 -14.805 226 HG13 VAL 33 HG13 VAL 33 6.686 -5.383 -14.708 227 HG21 VAL 33 HG21 VAL 33 4.983 -7.203 -14.993 228 HG22 VAL 33 HG22 VAL 33 5.473 -8.882 -15.224 229 HG23 VAL 33 HG23 VAL 33 5.629 -7.725 -16.549 230 H GLN 34 H GLN 34 8.722 -6.635 -17.334 231 HA GLN 34 HA GLN 34 8.920 -7.924 -19.826 232 HB2 GLN 34 HB2 GLN 34 6.809 -7.105 -20.914 233 HB3 GLN 34 HB3 GLN 34 6.481 -8.307 -19.669 234 HG2 GLN 34 HG2 GLN 34 5.679 -6.649 -18.139 235 HG3 GLN 34 HG3 GLN 34 6.300 -5.334 -19.131 236 HE21 GLN 34 HE21 GLN 34 4.340 -4.317 -19.223 237 HE22 GLN 34 HE22 GLN 34 3.007 -4.921 -20.141 238 H ASP 35 H ASP 35 8.259 -5.099 -17.883 239 HA ASP 35 HA ASP 35 8.788 -3.123 -19.930 240 HB2 ASP 35 HB2 ASP 35 8.380 -2.777 -16.919 241 HB3 ASP 35 HB3 ASP 35 8.336 -1.496 -18.129 242 H ARG 36 H ARG 36 10.655 -2.033 -20.280 243 HA ARG 36 HA ARG 36 13.154 -2.653 -19.026 244 HB2 ARG 36 HB2 ARG 36 12.360 -0.345 -20.858 245 HB3 ARG 36 HB3 ARG 36 14.019 -0.720 -20.398 246 HG2 ARG 36 HG2 ARG 36 12.186 -2.586 -21.951 247 HG3 ARG 36 HG3 ARG 36 13.413 -1.538 -22.673 248 HD2 ARG 36 HD2 ARG 36 13.938 -3.806 -20.708 249 HD3 ARG 36 HD3 ARG 36 14.226 -3.861 -22.449 250 HE ARG 36 HE ARG 36 15.780 -1.858 -21.913 251 HH11 ARG 36 HH11 ARG 36 15.396 -4.635 -19.862 252 HH12 ARG 36 HH12 ARG 36 16.995 -4.494 -19.227 253 HH21 ARG 36 HH21 ARG 36 17.776 -1.703 -21.071 254 HH22 ARG 36 HH22 ARG 36 18.322 -2.854 -19.899 255 H GLY 37 H GLY 37 10.730 -0.136 -18.591 256 HA2 GLY 37 HA2 GLY 37 12.252 1.459 -16.717 257 HA3 GLY 37 HA3 GLY 37 10.555 1.641 -17.123 258 H SER 38 H SER 38 12.836 0.229 -14.920 259 HA SER 38 HA SER 38 10.866 -1.301 -13.399 260 HB2 SER 38 HB2 SER 38 13.185 -2.160 -13.601 261 HB3 SER 38 HB3 SER 38 13.798 -0.729 -12.773 262 HG SER 38 HG SER 38 12.682 -1.384 -10.914 263 H HIS 39 H HIS 39 9.789 1.086 -13.431 264 HA HIS 39 HA HIS 39 9.901 1.923 -10.592 265 HB2 HIS 39 HB2 HIS 39 9.535 3.792 -12.980 266 HB3 HIS 39 HB3 HIS 39 9.255 4.259 -11.306 267 HD1 HIS 39 HD1 HIS 39 11.335 4.642 -9.810 268 HD2 HIS 39 HD2 HIS 39 12.269 3.578 -13.721 269 HE1 HIS 39 HE1 HIS 39 13.794 5.077 -10.054 270 HE2 HIS 39 HE2 HIS 39 14.352 4.377 -12.404 271 H THR 40 H THR 40 8.329 -0.091 -11.914 272 HA THR 40 HA THR 40 5.569 0.943 -12.071 273 HB THR 40 HB THR 40 6.109 -0.454 -13.939 274 HG1 THR 40 HG1 THR 40 4.639 -2.240 -12.294 275 HG21 THR 40 HG21 THR 40 8.041 -1.692 -13.054 276 HG22 THR 40 HG22 THR 40 6.866 -2.797 -13.773 277 HG23 THR 40 HG23 THR 40 6.976 -2.635 -12.018 278 H VAL 41 H VAL 41 4.037 0.549 -10.515 279 HA VAL 41 HA VAL 41 4.437 -1.574 -8.488 280 HB VAL 41 HB VAL 41 3.595 1.267 -7.722 281 HG11 VAL 41 HG11 VAL 41 4.194 -1.147 -5.959 282 HG12 VAL 41 HG12 VAL 41 2.596 -0.468 -6.283 283 HG13 VAL 41 HG13 VAL 41 3.786 0.473 -5.385 284 HG21 VAL 41 HG21 VAL 41 5.983 1.320 -8.290 285 HG22 VAL 41 HG22 VAL 41 6.297 -0.049 -7.222 286 HG23 VAL 41 HG23 VAL 41 5.774 1.494 -6.543 287 H CYS 42 H CYS 42 2.651 -2.861 -8.903 288 HA CYS 42 HA CYS 42 -0.049 -1.604 -9.048 289 HB2 CYS 42 HB2 CYS 42 0.791 -4.453 -9.756 290 HB3 CYS 42 HB3 CYS 42 -0.822 -3.769 -9.957 291 HG CYS 42 HG CYS 42 1.888 -3.476 -11.884 292 H ALA 43 H ALA 43 -0.985 -1.494 -7.035 293 HA ALA 43 HA ALA 43 -0.638 -3.646 -5.061 294 HB1 ALA 43 HB1 ALA 43 1.257 -2.092 -4.643 295 HB2 ALA 43 HB2 ALA 43 0.102 -2.060 -3.310 296 HB3 ALA 43 HB3 ALA 43 0.123 -0.745 -4.487 297 H GLU 44 H GLU 44 -2.276 -3.550 -3.383 298 HA GLU 44 HA GLU 44 -4.582 -1.864 -4.153 299 HB2 GLU 44 HB2 GLU 44 -4.792 -4.407 -4.430 300 HB3 GLU 44 HB3 GLU 44 -4.797 -4.504 -2.667 301 HG2 GLU 44 HG2 GLU 44 -6.755 -3.019 -2.600 302 HG3 GLU 44 HG3 GLU 44 -6.718 -2.911 -4.365 303 H MET 45 H MET 45 -4.829 -0.217 -2.802 304 HA MET 45 HA MET 45 -4.445 -0.502 0.100 305 HB2 MET 45 HB2 MET 45 -5.374 1.977 -1.425 306 HB3 MET 45 HB3 MET 45 -4.757 1.890 0.219 307 HG2 MET 45 HG2 MET 45 -3.115 1.272 -2.241 308 HG3 MET 45 HG3 MET 45 -3.069 2.788 -1.357 309 HE1 MET 45 HE1 MET 45 -3.360 1.619 1.667 310 HE2 MET 45 HE2 MET 45 -2.274 2.940 1.227 311 HE3 MET 45 HE3 MET 45 -1.658 1.551 2.124 312 H THR 46 H THR 46 -6.116 -1.252 1.244 313 HA THR 46 HA THR 46 -8.804 -1.409 0.126 314 HB THR 46 HB THR 46 -7.606 -2.497 2.708 315 HG1 THR 46 HG1 THR 46 -6.821 -3.611 0.976 316 HG21 THR 46 HG21 THR 46 -9.665 -3.894 2.885 317 HG22 THR 46 HG22 THR 46 -10.377 -2.974 1.555 318 HG23 THR 46 HG23 THR 46 -9.998 -2.169 3.082 319 H GLU 47 H GLU 47 -10.699 -0.647 1.238 320 HA GLU 47 HA GLU 47 -10.663 2.070 1.336 321 HB2 GLU 47 HB2 GLU 47 -12.672 0.631 0.931 322 HB3 GLU 47 HB3 GLU 47 -12.783 0.341 2.664 323 HG2 GLU 47 HG2 GLU 47 -13.115 2.799 3.023 324 HG3 GLU 47 HG3 GLU 47 -13.060 3.023 1.274 325 H GLU 48 H GLU 48 -10.287 -0.009 4.155 326 HA GLU 48 HA GLU 48 -11.046 1.654 6.234 327 HB2 GLU 48 HB2 GLU 48 -8.850 -0.440 6.165 328 HB3 GLU 48 HB3 GLU 48 -9.496 0.265 7.644 329 HG2 GLU 48 HG2 GLU 48 -11.013 -1.419 5.628 330 HG3 GLU 48 HG3 GLU 48 -10.508 -1.909 7.242 331 H PHE 49 H PHE 49 -7.799 1.553 4.687 332 HA PHE 49 HA PHE 49 -6.696 3.643 6.359 333 HB2 PHE 49 HB2 PHE 49 -5.170 2.023 5.389 334 HB3 PHE 49 HB3 PHE 49 -5.708 2.419 3.760 335 HD1 PHE 49 HD2 PHE 49 -4.278 4.177 6.762 336 HD2 PHE 49 HD1 PHE 49 -4.292 3.823 2.504 337 HE1 PHE 49 HE2 PHE 49 -2.547 5.913 6.616 338 HE2 PHE 49 HE1 PHE 49 -2.565 5.573 2.368 339 HZ PHE 49 HZ PHE 49 -1.691 6.615 4.419 340 H LEU 50 H LEU 50 -8.393 3.564 3.269 341 HA LEU 50 HA LEU 50 -7.688 6.279 2.535 342 HB2 LEU 50 HB2 LEU 50 -9.696 4.364 1.274 343 HB3 LEU 50 HB3 LEU 50 -9.285 5.942 0.634 344 HG LEU 50 HG LEU 50 -6.852 5.124 0.489 345 HD11 LEU 50 HD11 LEU 50 -8.157 2.411 0.792 346 HD12 LEU 50 HD12 LEU 50 -7.039 3.167 1.933 347 HD13 LEU 50 HD13 LEU 50 -6.490 2.733 0.325 348 HD21 LEU 50 HD21 LEU 50 -7.228 3.992 -1.680 349 HD22 LEU 50 HD22 LEU 50 -8.201 5.449 -1.504 350 HD23 LEU 50 HD23 LEU 50 -8.948 3.867 -1.301 351 H LEU 51 H LEU 51 -10.233 4.776 4.346 352 HA LEU 51 HA LEU 51 -12.030 6.979 4.635 353 HB2 LEU 51 HB2 LEU 51 -11.409 4.541 6.347 354 HB3 LEU 51 HB3 LEU 51 -12.616 5.714 6.819 355 HG LEU 51 HG LEU 51 -12.781 4.137 4.231 356 HD11 LEU 51 HD11 LEU 51 -14.455 2.716 5.349 357 HD12 LEU 51 HD12 LEU 51 -14.134 3.526 6.885 358 HD13 LEU 51 HD13 LEU 51 -12.870 2.567 6.109 359 HD21 LEU 51 HD21 LEU 51 -15.131 4.870 4.231 360 HD22 LEU 51 HD22 LEU 51 -14.037 6.250 4.223 361 HD23 LEU 51 HD23 LEU 51 -14.858 5.788 5.716 362 H PHE 52 H PHE 52 -9.309 5.733 6.587 363 HA PHE 52 HA PHE 52 -9.026 7.697 8.553 364 HB2 PHE 52 HB2 PHE 52 -7.785 5.606 8.618 365 HB3 PHE 52 HB3 PHE 52 -6.977 5.970 7.103 366 HD1 PHE 52 HD2 PHE 52 -7.333 7.462 10.550 367 HD2 PHE 52 HD1 PHE 52 -4.738 6.638 7.242 368 HE1 PHE 52 HE2 PHE 52 -5.423 8.359 11.814 369 HE2 PHE 52 HE1 PHE 52 -2.841 7.543 8.515 370 HZ PHE 52 HZ PHE 52 -3.177 8.399 10.802 371 H SER 53 H SER 53 -7.530 7.582 5.327 372 HA SER 53 HA SER 53 -6.211 10.104 5.399 373 HB2 SER 53 HB2 SER 53 -7.021 8.394 3.006 374 HB3 SER 53 HB3 SER 53 -5.905 9.763 2.941 375 HG SER 53 HG SER 53 -5.536 7.432 4.531 376 H ARG 54 H ARG 54 -9.486 9.148 4.559 377 HA ARG 54 HA ARG 54 -10.204 11.421 3.001 378 HB2 ARG 54 HB2 ARG 54 -11.431 9.285 2.855 379 HB3 ARG 54 HB3 ARG 54 -12.002 9.488 4.509 380 HG2 ARG 54 HG2 ARG 54 -13.237 11.530 3.811 381 HG3 ARG 54 HG3 ARG 54 -12.681 11.287 2.152 382 HD2 ARG 54 HD2 ARG 54 -13.907 9.166 2.029 383 HD3 ARG 54 HD3 ARG 54 -14.400 9.330 3.721 384 HE ARG 54 HE ARG 54 -15.161 11.433 1.831 385 HH11 ARG 54 HH11 ARG 54 -16.198 8.806 3.814 386 HH12 ARG 54 HH12 ARG 54 -17.866 9.230 3.667 387 HH21 ARG 54 HH21 ARG 54 -17.266 11.989 1.708 388 HH22 ARG 54 HH22 ARG 54 -18.464 11.014 2.482 389 H ASP 55 H ASP 55 -11.083 10.567 6.376 390 HA ASP 55 HA ASP 55 -12.391 13.044 6.912 391 HB2 ASP 55 HB2 ASP 55 -11.382 10.895 8.810 392 HB3 ASP 55 HB3 ASP 55 -12.441 12.226 9.279 393 H ARG 56 H ARG 56 -9.044 12.302 6.869 394 HA ARG 56 HA ARG 56 -8.442 15.046 7.652 395 HB2 ARG 56 HB2 ARG 56 -8.298 13.683 9.789 396 HB3 ARG 56 HB3 ARG 56 -7.011 12.738 9.050 397 HG2 ARG 56 HG2 ARG 56 -5.603 14.770 8.895 398 HG3 ARG 56 HG3 ARG 56 -6.900 15.726 9.623 399 HD2 ARG 56 HD2 ARG 56 -6.735 14.380 11.691 400 HD3 ARG 56 HD3 ARG 56 -5.468 13.394 10.955 401 HE ARG 56 HE ARG 56 -5.227 16.218 11.773 402 HH11 ARG 56 HH11 ARG 56 -3.641 13.298 10.774 403 HH12 ARG 56 HH12 ARG 56 -2.076 13.893 11.201 404 HH21 ARG 56 HH21 ARG 56 -3.226 16.933 12.311 405 HH22 ARG 56 HH22 ARG 56 -1.848 15.919 12.063 406 H GLY 57 H GLY 57 -7.921 15.316 5.456 407 HA2 GLY 57 HA2 GLY 57 -5.430 15.345 4.500 408 HA3 GLY 57 HA3 GLY 57 -5.849 13.669 4.177 409 H ASN 58 H ASN 58 -7.470 13.195 2.596 410 HA ASN 58 HA ASN 58 -8.458 15.395 0.897 411 HB2 ASN 58 HB2 ASN 58 -7.702 14.052 -1.169 412 HB3 ASN 58 HB3 ASN 58 -6.455 14.906 -0.279 413 HD21 ASN 58 HD21 ASN 58 -7.773 11.763 0.799 414 HD22 ASN 58 HD22 ASN 58 -6.339 10.884 0.463 415 H ASP 59 H ASP 59 -10.192 14.745 -0.606 416 HA ASP 59 HA ASP 59 -12.176 13.176 0.663 417 HB2 ASP 59 HB2 ASP 59 -12.066 14.166 -2.217 418 HB3 ASP 59 HB3 ASP 59 -13.511 13.559 -1.413 419 H LEU 60 H LEU 60 -10.299 12.513 -2.304 420 HA LEU 60 HA LEU 60 -9.664 10.699 -3.440 421 HB2 LEU 60 HB2 LEU 60 -9.046 9.845 -1.116 422 HB3 LEU 60 HB3 LEU 60 -10.560 8.978 -1.091 423 HG LEU 60 HG LEU 60 -8.528 7.575 -1.586 424 HD11 LEU 60 HD11 LEU 60 -9.481 6.198 -3.338 425 HD12 LEU 60 HD12 LEU 60 -10.595 7.494 -3.785 426 HD13 LEU 60 HD13 LEU 60 -10.718 6.730 -2.200 427 HD21 LEU 60 HD21 LEU 60 -8.457 9.054 -4.231 428 HD22 LEU 60 HD22 LEU 60 -7.479 7.648 -3.797 429 HD23 LEU 60 HD23 LEU 60 -7.266 9.167 -2.932 430 H MET 61 H MET 61 -12.572 9.522 -1.736 431 HA MET 61 HA MET 61 -13.479 7.827 -3.775 432 HB2 MET 61 HB2 MET 61 -15.064 9.016 -1.455 433 HB3 MET 61 HB3 MET 61 -15.517 7.598 -2.398 434 HG2 MET 61 HG2 MET 61 -13.583 6.381 -1.578 435 HG3 MET 61 HG3 MET 61 -13.013 7.814 -0.719 436 HE1 MET 61 HE1 MET 61 -14.054 5.487 2.215 437 HE2 MET 61 HE2 MET 61 -12.793 6.534 1.569 438 HE3 MET 61 HE3 MET 61 -13.247 5.060 0.709 439 H THR 62 H THR 62 -14.779 11.009 -2.757 440 HA THR 62 HA THR 62 -15.960 12.637 -3.781 441 HB THR 62 HB THR 62 -15.330 11.250 -6.427 442 HG1 THR 62 HG1 THR 62 -13.379 11.797 -5.746 443 HG21 THR 62 HG21 THR 62 -15.675 13.452 -7.468 444 HG22 THR 62 HG22 THR 62 -16.109 14.148 -5.904 445 HG23 THR 62 HG23 THR 62 -17.147 12.928 -6.653 446 HA PRO 63 HA PRO 63 -19.977 10.455 -3.855 447 HB2 PRO 63 HB2 PRO 63 -21.610 12.534 -3.274 448 HB3 PRO 63 HB3 PRO 63 -20.476 11.890 -2.077 449 HG2 PRO 63 HG2 PRO 63 -20.180 14.321 -3.850 450 HG3 PRO 63 HG3 PRO 63 -19.849 14.163 -2.112 451 HD2 PRO 63 HD2 PRO 63 -17.887 14.015 -4.036 452 HD3 PRO 63 HD3 PRO 63 -17.772 13.193 -2.464 453 H ARG 64 H ARG 64 -18.873 11.086 -6.444 454 HA ARG 64 HA ARG 64 -21.298 11.719 -8.033 455 HB2 ARG 64 HB2 ARG 64 -18.359 12.144 -8.779 456 HB3 ARG 64 HB3 ARG 64 -19.730 12.463 -9.843 457 HG2 ARG 64 HG2 ARG 64 -20.510 14.244 -8.323 458 HG3 ARG 64 HG3 ARG 64 -19.177 13.894 -7.219 459 HD2 ARG 64 HD2 ARG 64 -18.705 15.878 -8.598 460 HD3 ARG 64 HD3 ARG 64 -17.549 14.583 -8.924 461 HE ARG 64 HE ARG 64 -19.623 14.375 -10.786 462 HH11 ARG 64 HH11 ARG 64 -17.074 16.603 -10.060 463 HH12 ARG 64 HH12 ARG 64 -16.962 17.153 -11.691 464 HH21 ARG 64 HH21 ARG 64 -19.442 15.072 -12.853 465 HH22 ARG 64 HH22 ARG 64 -18.281 16.291 -13.253 466 HA PRO 65 HA PRO 65 -20.661 7.448 -9.534 467 HB2 PRO 65 HB2 PRO 65 -22.530 7.319 -11.465 468 HB3 PRO 65 HB3 PRO 65 -22.999 7.534 -9.770 469 HG2 PRO 65 HG2 PRO 65 -22.746 9.623 -11.943 470 HG3 PRO 65 HG3 PRO 65 -24.067 9.392 -10.778 471 HD2 PRO 65 HD2 PRO 65 -22.041 11.240 -10.433 472 HD3 PRO 65 HD3 PRO 65 -22.930 10.501 -9.082 473 H GLU 66 H GLU 66 -18.840 9.520 -10.557 474 HA GLU 66 HA GLU 66 -18.398 8.785 -13.393 475 HB2 GLU 66 HB2 GLU 66 -18.060 11.528 -12.075 476 HB3 GLU 66 HB3 GLU 66 -17.711 11.150 -13.761 477 HG2 GLU 66 HG2 GLU 66 -19.999 10.895 -14.309 478 HG3 GLU 66 HG3 GLU 66 -20.486 10.741 -12.624 479 H PHE 67 H PHE 67 -16.332 8.048 -13.773 480 HA PHE 67 HA PHE 67 -14.277 8.362 -11.657 481 HB2 PHE 67 HB2 PHE 67 -15.130 6.024 -11.923 482 HB3 PHE 67 HB3 PHE 67 -14.613 6.033 -13.603 483 HD1 PHE 67 HD2 PHE 67 -13.084 6.833 -10.237 484 HD2 PHE 67 HD1 PHE 67 -12.622 4.844 -14.003 485 HE1 PHE 67 HE2 PHE 67 -10.890 5.977 -9.521 486 HE2 PHE 67 HE1 PHE 67 -10.431 3.992 -13.276 487 HZ PHE 67 HZ PHE 67 -9.562 4.555 -11.037 488 H ASN 68 H ASN 68 -13.668 10.337 -12.653 489 HA ASN 68 HA ASN 68 -11.676 9.926 -14.777 490 HB2 ASN 68 HB2 ASN 68 -13.711 10.980 -15.831 491 HB3 ASN 68 HB3 ASN 68 -13.562 12.336 -14.717 492 HD21 ASN 68 HD21 ASN 68 -13.217 13.853 -16.321 493 HD22 ASN 68 HD22 ASN 68 -11.790 13.913 -17.289 494 H PHE 69 H PHE 69 -10.150 9.866 -13.136 495 HA PHE 69 HA PHE 69 -9.445 12.389 -11.755 496 HB2 PHE 69 HB2 PHE 69 -9.480 9.641 -10.395 497 HB3 PHE 69 HB3 PHE 69 -9.011 11.164 -9.645 498 HD1 PHE 69 HD1 PHE 69 -10.827 13.010 -9.435 499 HD2 PHE 69 HD2 PHE 69 -11.748 8.919 -10.300 500 HE1 PHE 69 HE1 PHE 69 -13.157 13.376 -8.732 501 HE2 PHE 69 HE2 PHE 69 -14.070 9.298 -9.594 502 HZ PHE 69 HZ PHE 69 -14.779 11.523 -8.812 503 HA PRO 70 HA PRO 70 -5.248 11.029 -12.973 504 HB2 PRO 70 HB2 PRO 70 -4.066 12.769 -10.891 505 HB3 PRO 70 HB3 PRO 70 -4.043 12.961 -12.647 506 HG2 PRO 70 HG2 PRO 70 -5.473 14.622 -11.039 507 HG3 PRO 70 HG3 PRO 70 -6.018 14.199 -12.676 508 HD2 PRO 70 HD2 PRO 70 -6.895 13.008 -10.028 509 HD3 PRO 70 HD3 PRO 70 -7.894 13.579 -11.390 510 H GLY 71 H GLY 71 -6.565 9.245 -11.145 511 HA2 GLY 71 HA2 GLY 71 -4.385 7.871 -9.915 512 HA3 GLY 71 HA3 GLY 71 -5.376 8.682 -8.706 513 H LEU 72 H LEU 72 -6.272 6.872 -7.737 514 HA LEU 72 HA LEU 72 -8.151 5.230 -9.286 515 HB2 LEU 72 HB2 LEU 72 -7.310 3.114 -8.451 516 HB3 LEU 72 HB3 LEU 72 -6.015 3.952 -9.280 517 HG LEU 72 HG LEU 72 -6.278 3.804 -6.239 518 HD11 LEU 72 HD11 LEU 72 -4.480 2.156 -8.052 519 HD12 LEU 72 HD12 LEU 72 -5.884 1.565 -7.158 520 HD13 LEU 72 HD13 LEU 72 -4.471 2.149 -6.285 521 HD21 LEU 72 HD21 LEU 72 -3.925 4.721 -7.939 522 HD22 LEU 72 HD22 LEU 72 -3.954 4.601 -6.177 523 HD23 LEU 72 HD23 LEU 72 -4.987 5.768 -6.994 524 H LYS 73 H LYS 73 -9.062 3.490 -7.440 525 HA LYS 73 HA LYS 73 -10.448 5.300 -5.536 526 HB2 LYS 73 HB2 LYS 73 -12.400 3.941 -5.846 527 HB3 LYS 73 HB3 LYS 73 -11.726 4.195 -7.453 528 HG2 LYS 73 HG2 LYS 73 -10.542 1.888 -7.058 529 HG3 LYS 73 HG3 LYS 73 -11.722 1.686 -5.767 530 HD2 LYS 73 HD2 LYS 73 -12.593 0.583 -7.696 531 HD3 LYS 73 HD3 LYS 73 -13.536 2.061 -7.490 532 HE2 LYS 73 HE2 LYS 73 -12.285 3.161 -9.287 533 HE3 LYS 73 HE3 LYS 73 -11.191 1.781 -9.419 534 HZ1 LYS 73 HZ1 LYS 73 -13.088 0.426 -10.102 535 HZ2 LYS 73 HZ2 LYS 73 -12.820 1.722 -11.150 536 HZ3 LYS 73 HZ3 LYS 73 -14.091 1.786 -10.040 537 H ALA 74 H ALA 74 -11.600 3.830 -3.730 538 HA ALA 74 HA ALA 74 -9.617 2.513 -2.138 539 HB1 ALA 74 HB1 ALA 74 -11.437 3.807 -1.113 540 HB2 ALA 74 HB2 ALA 74 -11.407 2.147 -0.518 541 HB3 ALA 74 HB3 ALA 74 -12.616 2.636 -1.711 542 H GLY 75 H GLY 75 -8.972 0.469 -2.273 543 HA2 GLY 75 HA2 GLY 75 -8.911 -1.806 -2.589 544 HA3 GLY 75 HA3 GLY 75 -10.647 -1.806 -2.820 545 H ASP 76 H ASP 76 -8.126 -0.063 -4.620 546 HA ASP 76 HA ASP 76 -8.682 -1.709 -7.025 547 HB2 ASP 76 HB2 ASP 76 -9.418 0.742 -7.137 548 HB3 ASP 76 HB3 ASP 76 -7.720 1.187 -7.065 549 H ARG 77 H ARG 77 -6.873 -2.197 -8.378 550 HA ARG 77 HA ARG 77 -4.210 -1.917 -7.163 551 HB2 ARG 77 HB2 ARG 77 -3.756 -4.369 -7.526 552 HB3 ARG 77 HB3 ARG 77 -4.910 -4.032 -6.253 553 HG2 ARG 77 HG2 ARG 77 -5.779 -4.857 -9.043 554 HG3 ARG 77 HG3 ARG 77 -5.394 -6.035 -7.791 555 HD2 ARG 77 HD2 ARG 77 -7.203 -5.189 -6.386 556 HD3 ARG 77 HD3 ARG 77 -7.543 -3.898 -7.542 557 HE ARG 77 HE ARG 77 -7.818 -6.215 -8.975 558 HH11 ARG 77 HH11 ARG 77 -9.327 -5.033 -6.070 559 HH12 ARG 77 HH12 ARG 77 -10.830 -5.808 -6.440 560 HH21 ARG 77 HH21 ARG 77 -9.744 -7.174 -9.391 561 HH22 ARG 77 HH22 ARG 77 -11.058 -6.993 -8.283 562 H TRP 78 H TRP 78 -3.667 -0.499 -8.787 563 HA TRP 78 HA TRP 78 -2.193 -1.596 -10.911 564 HB2 TRP 78 HB2 TRP 78 -4.420 -1.839 -12.062 565 HB3 TRP 78 HB3 TRP 78 -4.685 -0.107 -11.898 566 HD1 TRP 78 HD1 TRP 78 -2.306 -2.583 -13.724 567 HE1 TRP 78 HE1 TRP 78 -1.395 -1.428 -15.825 568 HE3 TRP 78 HE3 TRP 78 -4.314 2.080 -13.057 569 HZ2 TRP 78 HZ2 TRP 78 -1.496 1.099 -17.060 570 HZ3 TRP 78 HZ3 TRP 78 -3.853 3.819 -14.747 571 HH2 TRP 78 HH2 TRP 78 -2.468 3.333 -16.711 572 H CYS 79 H CYS 79 -0.509 -0.221 -11.084 573 HA CYS 79 HA CYS 79 0.858 1.594 -10.957 574 HB2 CYS 79 HB2 CYS 79 -0.438 2.126 -13.021 575 HB3 CYS 79 HB3 CYS 79 -1.553 3.087 -12.055 576 HG CYS 79 HG CYS 79 0.788 4.722 -11.191 577 H LEU 80 H LEU 80 -0.601 0.997 -8.532 578 HA LEU 80 HA LEU 80 -1.525 3.347 -7.212 579 HB2 LEU 80 HB2 LEU 80 -2.267 1.086 -6.524 580 HB3 LEU 80 HB3 LEU 80 -0.624 0.647 -6.104 581 HG LEU 80 HG LEU 80 -2.335 1.157 -4.207 582 HD11 LEU 80 HD11 LEU 80 -0.643 2.035 -2.684 583 HD12 LEU 80 HD12 LEU 80 0.392 2.450 -4.053 584 HD13 LEU 80 HD13 LEU 80 0.000 0.764 -3.721 585 HD21 LEU 80 HD21 LEU 80 -2.525 3.472 -3.459 586 HD22 LEU 80 HD22 LEU 80 -3.215 3.266 -5.066 587 HD23 LEU 80 HD23 LEU 80 -1.633 4.028 -4.880 588 H CYS 81 H CYS 81 -0.430 4.898 -6.158 589 HA CYS 81 HA CYS 81 2.347 5.297 -6.228 590 HB2 CYS 81 HB2 CYS 81 0.313 6.543 -4.330 591 HB3 CYS 81 HB3 CYS 81 1.909 7.197 -4.703 592 HG CYS 81 HG CYS 81 -0.271 8.615 -5.944 593 H ALA 82 H ALA 82 3.805 3.978 -5.215 594 HA ALA 82 HA ALA 82 3.175 2.217 -3.088 595 HB1 ALA 82 HB1 ALA 82 4.881 1.719 -4.778 596 HB2 ALA 82 HB2 ALA 82 5.536 1.572 -3.145 597 HB3 ALA 82 HB3 ALA 82 5.910 2.993 -4.127 598 H SER 83 H SER 83 4.490 5.489 -3.033 599 HA SER 83 HA SER 83 5.486 5.553 -0.364 600 HB2 SER 83 HB2 SER 83 5.980 7.377 -1.926 601 HB3 SER 83 HB3 SER 83 4.274 7.800 -2.035 602 HG SER 83 HG SER 83 5.368 9.168 -0.591 603 H ARG 84 H ARG 84 2.223 5.914 -1.669 604 HA ARG 84 HA ARG 84 0.830 6.783 0.642 605 HB2 ARG 84 HB2 ARG 84 -0.101 6.818 -1.684 606 HB3 ARG 84 HB3 ARG 84 -0.182 5.066 -1.667 607 HG2 ARG 84 HG2 ARG 84 -2.400 5.920 -1.330 608 HG3 ARG 84 HG3 ARG 84 -1.871 5.205 0.194 609 HD2 ARG 84 HD2 ARG 84 -1.722 8.189 -0.393 610 HD3 ARG 84 HD3 ARG 84 -3.115 7.422 0.378 611 HE ARG 84 HE ARG 84 -0.996 6.640 1.905 612 HH11 ARG 84 HH11 ARG 84 -2.175 9.756 0.991 613 HH12 ARG 84 HH12 ARG 84 -1.642 10.478 2.463 614 HH21 ARG 84 HH21 ARG 84 -0.369 7.597 3.740 615 HH22 ARG 84 HH22 ARG 84 -0.635 9.283 3.984 616 H TRP 85 H TRP 85 1.728 3.572 -0.520 617 HA TRP 85 HA TRP 85 0.337 2.042 1.485 618 HB2 TRP 85 HB2 TRP 85 0.744 1.167 -0.763 619 HB3 TRP 85 HB3 TRP 85 2.483 1.294 -0.528 620 HD1 TRP 85 HD1 TRP 85 2.770 -1.272 -1.070 621 HE1 TRP 85 HE1 TRP 85 2.400 -3.402 0.304 622 HE3 TRP 85 HE3 TRP 85 -0.182 0.571 2.706 623 HZ2 TRP 85 HZ2 TRP 85 1.129 -4.214 2.630 624 HZ3 TRP 85 HZ3 TRP 85 -0.910 -0.972 4.447 625 HH2 TRP 85 HH2 TRP 85 -0.275 -3.321 4.419 626 H GLN 86 H GLN 86 3.827 2.708 0.913 627 HA GLN 86 HA GLN 86 5.022 1.739 3.174 628 HB2 GLN 86 HB2 GLN 86 6.264 2.737 1.334 629 HB3 GLN 86 HB3 GLN 86 5.592 4.319 1.655 630 HG2 GLN 86 HG2 GLN 86 7.964 4.100 2.325 631 HG3 GLN 86 HG3 GLN 86 6.918 4.553 3.669 632 HE21 GLN 86 HE21 GLN 86 6.658 3.074 5.377 633 HE22 GLN 86 HE22 GLN 86 7.622 1.659 5.547 634 H GLU 87 H GLU 87 3.338 4.906 2.910 635 HA GLU 87 HA GLU 87 3.958 5.808 5.551 636 HB2 GLU 87 HB2 GLU 87 3.328 7.312 3.607 637 HB3 GLU 87 HB3 GLU 87 1.657 6.799 3.815 638 HG2 GLU 87 HG2 GLU 87 1.686 7.710 6.127 639 HG3 GLU 87 HG3 GLU 87 3.347 8.242 5.887 640 H ALA 88 H ALA 88 1.295 3.863 4.260 641 HA ALA 88 HA ALA 88 -0.526 4.088 6.449 642 HB1 ALA 88 HB1 ALA 88 -0.225 1.765 4.524 643 HB2 ALA 88 HB2 ALA 88 -1.187 3.219 4.234 644 HB3 ALA 88 HB3 ALA 88 -1.631 2.121 5.543 645 H PHE 89 H PHE 89 2.046 1.716 5.756 646 HA PHE 89 HA PHE 89 1.716 0.108 8.069 647 HB2 PHE 89 HB2 PHE 89 2.975 -0.584 6.044 648 HB3 PHE 89 HB3 PHE 89 4.219 0.605 6.407 649 HD1 PHE 89 HD2 PHE 89 2.605 -2.516 7.695 650 HD2 PHE 89 HD1 PHE 89 6.046 0.038 7.864 651 HE1 PHE 89 HE2 PHE 89 3.799 -4.202 9.030 652 HE2 PHE 89 HE1 PHE 89 7.228 -1.667 9.195 653 HZ PHE 89 HZ PHE 89 6.108 -3.783 9.780 654 H GLU 90 H GLU 90 3.765 2.934 7.436 655 HA GLU 90 HA GLU 90 5.008 3.126 9.983 656 HB2 GLU 90 HB2 GLU 90 4.509 5.150 7.778 657 HB3 GLU 90 HB3 GLU 90 5.436 5.538 9.225 658 HG2 GLU 90 HG2 GLU 90 6.141 3.354 7.231 659 HG3 GLU 90 HG3 GLU 90 6.874 4.952 7.289 660 H ALA 91 H ALA 91 1.901 4.292 8.811 661 HA ALA 91 HA ALA 91 1.273 5.895 11.157 662 HB1 ALA 91 HB1 ALA 91 -0.936 6.175 10.096 663 HB2 ALA 91 HB2 ALA 91 -0.526 4.951 8.889 664 HB3 ALA 91 HB3 ALA 91 0.359 6.476 8.935 665 H GLY 92 H GLY 92 1.231 2.561 10.452 666 HA2 GLY 92 HA2 GLY 92 0.506 0.728 11.666 667 HA3 GLY 92 HA3 GLY 92 -0.210 1.809 12.850 668 H MET 93 H MET 93 -1.229 2.569 9.722 669 HA MET 93 HA MET 93 -3.885 1.328 10.151 670 HB2 MET 93 HB2 MET 93 -3.010 3.782 8.567 671 HB3 MET 93 HB3 MET 93 -4.661 3.164 8.597 672 HG2 MET 93 HG2 MET 93 -3.115 4.148 11.001 673 HG3 MET 93 HG3 MET 93 -4.356 5.058 10.137 674 HE1 MET 93 HE1 MET 93 -6.961 4.293 10.052 675 HE2 MET 93 HE2 MET 93 -7.568 2.856 10.875 676 HE3 MET 93 HE3 MET 93 -6.490 2.687 9.489 677 H ALA 94 H ALA 94 -1.353 0.281 8.733 678 HA ALA 94 HA ALA 94 -1.565 -0.076 6.030 679 HB1 ALA 94 HB1 ALA 94 0.347 -0.776 7.386 680 HB2 ALA 94 HB2 ALA 94 -0.190 -2.085 6.338 681 HB3 ALA 94 HB3 ALA 94 -0.592 -2.110 8.056 682 HA PRO 95 HA PRO 95 -5.258 -2.864 5.783 683 HB2 PRO 95 HB2 PRO 95 -6.192 -2.068 3.411 684 HB3 PRO 95 HB3 PRO 95 -6.289 -0.975 4.802 685 HG2 PRO 95 HG2 PRO 95 -4.258 -1.012 2.560 686 HG3 PRO 95 HG3 PRO 95 -5.152 0.370 3.231 687 HD2 PRO 95 HD2 PRO 95 -2.576 -0.311 3.994 688 HD3 PRO 95 HD3 PRO 95 -3.702 0.597 5.024 689 HA PRO 96 HA PRO 96 -3.661 -6.326 3.317 690 HB2 PRO 96 HB2 PRO 96 -5.928 -7.189 1.903 691 HB3 PRO 96 HB3 PRO 96 -5.525 -7.626 3.567 692 HG2 PRO 96 HG2 PRO 96 -7.363 -5.460 2.566 693 HG3 PRO 96 HG3 PRO 96 -7.610 -6.604 3.903 694 HD2 PRO 96 HD2 PRO 96 -6.895 -4.072 4.395 695 HD3 PRO 96 HD3 PRO 96 -6.197 -5.395 5.357 696 H VAL 97 H VAL 97 -2.361 -6.299 1.636 697 HA VAL 97 HA VAL 97 -3.018 -4.913 -0.905 698 HB VAL 97 HB VAL 97 -1.118 -3.920 0.470 699 HG11 VAL 97 HG11 VAL 97 0.330 -6.529 -0.124 700 HG12 VAL 97 HG12 VAL 97 -0.253 -6.006 1.460 701 HG13 VAL 97 HG13 VAL 97 1.030 -5.100 0.651 702 HG21 VAL 97 HG21 VAL 97 -0.166 -5.047 -2.200 703 HG22 VAL 97 HG22 VAL 97 0.523 -3.657 -1.349 704 HG23 VAL 97 HG23 VAL 97 -1.122 -3.571 -1.993 705 H VAL 98 H VAL 98 -1.755 -6.001 -2.836 706 HA VAL 98 HA VAL 98 -1.581 -8.929 -2.551 707 HB VAL 98 HB VAL 98 -1.413 -9.076 -4.956 708 HG11 VAL 98 HG11 VAL 98 -3.484 -6.946 -4.293 709 HG12 VAL 98 HG12 VAL 98 -3.705 -8.693 -4.154 710 HG13 VAL 98 HG13 VAL 98 -3.474 -7.958 -5.741 711 HG21 VAL 98 HG21 VAL 98 -1.285 -7.090 -6.454 712 HG22 VAL 98 HG22 VAL 98 0.142 -7.266 -5.434 713 HG23 VAL 98 HG23 VAL 98 -1.081 -6.055 -5.033 714 H LEU 99 H LEU 99 0.368 -10.076 -3.115 715 HA LEU 99 HA LEU 99 2.876 -8.517 -3.480 716 HB2 LEU 99 HB2 LEU 99 2.284 -11.159 -2.178 717 HB3 LEU 99 HB3 LEU 99 3.751 -11.126 -3.139 718 HG LEU 99 HG LEU 99 3.183 -9.243 -0.818 719 HD11 LEU 99 HD11 LEU 99 4.952 -11.709 -0.914 720 HD12 LEU 99 HD12 LEU 99 3.425 -11.552 -0.041 721 HD13 LEU 99 HD13 LEU 99 4.810 -10.579 0.435 722 HD21 LEU 99 HD21 LEU 99 5.562 -8.639 -0.993 723 HD22 LEU 99 HD22 LEU 99 4.703 -8.254 -2.482 724 HD23 LEU 99 HD23 LEU 99 5.739 -9.682 -2.408 725 H GLN 100 H GLN 100 0.642 -10.804 -4.799 726 HA GLN 100 HA GLN 100 2.146 -12.191 -6.710 727 HB2 GLN 100 HB2 GLN 100 -0.826 -11.520 -6.785 728 HB3 GLN 100 HB3 GLN 100 -0.038 -12.837 -7.660 729 HG2 GLN 100 HG2 GLN 100 0.571 -13.873 -5.485 730 HG3 GLN 100 HG3 GLN 100 -0.270 -12.587 -4.639 731 HE21 GLN 100 HE21 GLN 100 -2.537 -12.565 -4.640 732 HE22 GLN 100 HE22 GLN 100 -3.465 -13.939 -5.115 733 H SER 101 H SER 101 0.166 -9.243 -7.098 734 HA SER 101 HA SER 101 1.186 -8.840 -9.831 735 HB2 SER 101 HB2 SER 101 -1.260 -8.618 -9.468 736 HB3 SER 101 HB3 SER 101 -0.971 -7.279 -8.360 737 HG SER 101 HG SER 101 0.294 -6.951 -10.775 738 H THR 102 H THR 102 1.545 -7.504 -6.586 739 HA THR 102 HA THR 102 2.739 -5.025 -7.254 740 HB THR 102 HB THR 102 3.315 -6.728 -4.783 741 HG1 THR 102 HG1 THR 102 1.698 -5.516 -3.835 742 HG21 THR 102 HG21 THR 102 5.029 -4.967 -5.072 743 HG22 THR 102 HG22 THR 102 3.969 -4.594 -3.712 744 HG23 THR 102 HG23 THR 102 3.760 -3.751 -5.248 745 H GLU 103 H GLU 103 4.405 -4.798 -8.593 746 HA GLU 103 HA GLU 103 6.451 -6.672 -9.151 747 HB2 GLU 103 HB2 GLU 103 6.250 -3.684 -9.706 748 HB3 GLU 103 HB3 GLU 103 7.546 -4.679 -10.337 749 HG2 GLU 103 HG2 GLU 103 6.101 -4.578 -12.142 750 HG3 GLU 103 HG3 GLU 103 5.651 -6.114 -11.408 751 H LYS 104 H LYS 104 8.776 -6.490 -8.757 752 HA LYS 104 HA LYS 104 9.486 -5.997 -6.031 753 HB2 LYS 104 HB2 LYS 104 11.193 -6.651 -8.458 754 HB3 LYS 104 HB3 LYS 104 11.891 -6.409 -6.864 755 HG2 LYS 104 HG2 LYS 104 11.702 -8.753 -7.170 756 HG3 LYS 104 HG3 LYS 104 10.450 -8.293 -6.015 757 HD2 LYS 104 HD2 LYS 104 8.761 -8.374 -7.869 758 HD3 LYS 104 HD3 LYS 104 10.034 -8.899 -8.979 759 HE2 LYS 104 HE2 LYS 104 10.396 -10.912 -7.534 760 HE3 LYS 104 HE3 LYS 104 9.038 -10.396 -6.526 761 HZ1 LYS 104 HZ1 LYS 104 7.609 -10.558 -8.495 762 HZ2 LYS 104 HZ2 LYS 104 8.337 -12.036 -8.129 763 HZ3 LYS 104 HZ3 LYS 104 8.921 -11.103 -9.413 764 H SER 105 H SER 105 9.439 -3.951 -8.768 765 HA SER 105 HA SER 105 11.266 -1.916 -8.103 766 HB2 SER 105 HB2 SER 105 10.237 -1.969 -10.288 767 HB3 SER 105 HB3 SER 105 8.625 -1.815 -9.593 768 HG SER 105 HG SER 105 9.064 0.270 -9.037 769 H ALA 106 H ALA 106 8.084 -2.653 -6.785 770 HA ALA 106 HA ALA 106 7.405 -0.304 -5.454 771 HB1 ALA 106 HB1 ALA 106 7.015 -3.137 -4.455 772 HB2 ALA 106 HB2 ALA 106 5.943 -2.273 -5.561 773 HB3 ALA 106 HB3 ALA 106 6.134 -1.710 -3.899 774 H LEU 107 H LEU 107 9.770 -2.764 -4.542 775 HA LEU 107 HA LEU 107 10.231 -2.027 -1.831 776 HB2 LEU 107 HB2 LEU 107 11.788 -3.693 -3.831 777 HB3 LEU 107 HB3 LEU 107 12.441 -3.382 -2.235 778 HG LEU 107 HG LEU 107 10.603 -4.594 -1.167 779 HD11 LEU 107 HD11 LEU 107 8.871 -5.786 -2.399 780 HD12 LEU 107 HD12 LEU 107 9.437 -5.087 -3.919 781 HD13 LEU 107 HD13 LEU 107 8.751 -4.047 -2.667 782 HD21 LEU 107 HD21 LEU 107 11.750 -6.233 -3.457 783 HD22 LEU 107 HD22 LEU 107 11.093 -6.861 -1.942 784 HD23 LEU 107 HD23 LEU 107 12.564 -5.892 -1.925 785 H ARG 108 H ARG 108 10.848 -0.098 -4.379 786 HA ARG 108 HA ARG 108 13.380 1.085 -3.439 787 HB2 ARG 108 HB2 ARG 108 11.710 1.626 -5.930 788 HB3 ARG 108 HB3 ARG 108 13.239 2.419 -5.553 789 HG2 ARG 108 HG2 ARG 108 14.444 0.304 -5.765 790 HG3 ARG 108 HG3 ARG 108 12.928 -0.576 -5.989 791 HD2 ARG 108 HD2 ARG 108 14.190 -0.157 -8.122 792 HD3 ARG 108 HD3 ARG 108 12.549 0.490 -8.127 793 HE ARG 108 HE ARG 108 13.404 2.666 -8.010 794 HH11 ARG 108 HH11 ARG 108 16.030 0.395 -8.126 795 HH12 ARG 108 HH12 ARG 108 17.184 1.613 -8.533 796 HH21 ARG 108 HH21 ARG 108 14.908 4.179 -8.506 797 HH22 ARG 108 HH22 ARG 108 16.554 3.719 -8.764 798 H TYR 109 H TYR 109 10.079 1.396 -3.038 799 HA TYR 109 HA TYR 109 10.190 4.214 -2.123 800 HB2 TYR 109 HB2 TYR 109 7.737 2.714 -3.160 801 HB3 TYR 109 HB3 TYR 109 7.823 4.416 -2.728 802 HD1 TYR 109 HD1 TYR 109 8.891 1.894 -5.271 803 HD2 TYR 109 HD2 TYR 109 8.619 6.063 -4.336 804 HE1 TYR 109 HE1 TYR 109 9.394 2.454 -7.614 805 HE2 TYR 109 HE2 TYR 109 9.132 6.616 -6.675 806 HH TYR 109 HH TYR 109 8.898 4.521 -9.166 807 H VAL 110 H VAL 110 8.424 1.104 -1.726 808 HA VAL 110 HA VAL 110 8.188 1.436 1.180 809 HB VAL 110 HB VAL 110 7.073 -0.762 1.202 810 HG11 VAL 110 HG11 VAL 110 5.965 0.927 -1.041 811 HG12 VAL 110 HG12 VAL 110 5.621 1.100 0.688 812 HG13 VAL 110 HG13 VAL 110 5.100 -0.354 -0.170 813 HG21 VAL 110 HG21 VAL 110 6.667 -2.065 -0.824 814 HG22 VAL 110 HG22 VAL 110 8.391 -1.886 -0.536 815 HG23 VAL 110 HG23 VAL 110 7.600 -0.913 -1.772 816 H SER 111 H SER 111 8.771 -0.681 2.444 817 HA SER 111 HA SER 111 11.092 -2.150 1.320 818 HB2 SER 111 HB2 SER 111 11.380 -1.236 3.594 819 HB3 SER 111 HB3 SER 111 9.952 -2.106 4.144 820 HG SER 111 HG SER 111 12.507 -3.035 3.547 821 H LEU 112 H LEU 112 10.961 -4.507 1.430 822 HA LEU 112 HA LEU 112 8.659 -5.774 0.558 823 HB2 LEU 112 HB2 LEU 112 10.804 -6.789 0.270 824 HB3 LEU 112 HB3 LEU 112 11.104 -6.818 1.988 825 HG LEU 112 HG LEU 112 8.784 -8.487 1.060 826 HD11 LEU 112 HD11 LEU 112 11.638 -9.348 0.481 827 HD12 LEU 112 HD12 LEU 112 10.413 -8.948 -0.725 828 HD13 LEU 112 HD13 LEU 112 10.194 -10.354 0.317 829 HD21 LEU 112 HD21 LEU 112 9.690 -10.083 2.744 830 HD22 LEU 112 HD22 LEU 112 9.394 -8.487 3.431 831 HD23 LEU 112 HD23 LEU 112 11.046 -8.985 3.040 832 H ALA 113 H ALA 113 9.698 -5.229 3.883 833 HA ALA 113 HA ALA 113 8.004 -7.020 5.251 834 HB1 ALA 113 HB1 ALA 113 10.015 -5.983 6.230 835 HB2 ALA 113 HB2 ALA 113 8.602 -5.739 7.257 836 HB3 ALA 113 HB3 ALA 113 9.205 -4.416 6.252 837 H ASP 114 H ASP 114 7.362 -3.693 4.103 838 HA ASP 114 HA ASP 114 4.949 -3.173 5.478 839 HB2 ASP 114 HB2 ASP 114 5.744 -2.321 2.651 840 HB3 ASP 114 HB3 ASP 114 4.460 -1.592 3.619 841 H LEU 115 H LEU 115 5.621 -4.771 2.417 842 HA LEU 115 HA LEU 115 2.946 -5.131 1.533 843 HB2 LEU 115 HB2 LEU 115 5.227 -6.953 0.685 844 HB3 LEU 115 HB3 LEU 115 3.833 -6.427 -0.250 845 HG LEU 115 HG LEU 115 6.393 -4.905 0.360 846 HD11 LEU 115 HD11 LEU 115 4.980 -5.555 -2.235 847 HD12 LEU 115 HD12 LEU 115 6.452 -6.314 -1.609 848 HD13 LEU 115 HD13 LEU 115 6.470 -4.610 -2.077 849 HD21 LEU 115 HD21 LEU 115 4.652 -3.313 0.801 850 HD22 LEU 115 HD22 LEU 115 3.841 -3.703 -0.719 851 HD23 LEU 115 HD23 LEU 115 5.428 -2.928 -0.731 852 H GLN 116 H GLN 116 5.305 -7.401 2.963 853 HA GLN 116 HA GLN 116 3.655 -9.718 2.794 854 HB2 GLN 116 HB2 GLN 116 6.123 -9.245 4.504 855 HB3 GLN 116 HB3 GLN 116 5.438 -10.812 4.105 856 HG2 GLN 116 HG2 GLN 116 5.867 -9.543 1.607 857 HG3 GLN 116 HG3 GLN 116 7.286 -9.153 2.564 858 HE21 GLN 116 HE21 GLN 116 7.220 -10.763 0.202 859 HE22 GLN 116 HE22 GLN 116 7.764 -12.340 0.639 860 H ALA 117 H ALA 117 4.074 -7.307 5.267 861 HA ALA 117 HA ALA 117 2.944 -8.391 7.539 862 HB1 ALA 117 HB1 ALA 117 3.828 -6.101 7.391 863 HB2 ALA 117 HB2 ALA 117 2.222 -6.113 8.120 864 HB3 ALA 117 HB3 ALA 117 2.427 -5.609 6.438 865 H HIS 118 H HIS 118 1.135 -7.264 4.647 866 HA HIS 118 HA HIS 118 -1.338 -8.557 5.643 867 HB2 HIS 118 HB2 HIS 118 -1.212 -5.662 4.673 868 HB3 HIS 118 HB3 HIS 118 -2.701 -6.548 4.985 869 HD1 HIS 118 HD1 HIS 118 -0.213 -4.454 6.637 870 HD2 HIS 118 HD2 HIS 118 -3.003 -7.296 7.827 871 HE1 HIS 118 HE1 HIS 118 -0.440 -4.175 9.121 872 HE2 HIS 118 HE2 HIS 118 -2.021 -5.996 9.834 873 H ALA 119 H ALA 119 0.692 -9.017 3.371 874 HA ALA 119 HA ALA 119 -0.660 -8.494 0.885 875 HB1 ALA 119 HB1 ALA 119 1.583 -10.443 1.458 876 HB2 ALA 119 HB2 ALA 119 1.774 -8.746 1.017 877 HB3 ALA 119 HB3 ALA 119 1.075 -9.881 -0.138 878 H LEU 120 H LEU 120 -0.743 -11.149 3.136 879 HA LEU 120 HA LEU 120 -2.259 -12.882 1.266 880 HB2 LEU 120 HB2 LEU 120 -1.483 -14.793 2.520 881 HB3 LEU 120 HB3 LEU 120 -0.091 -13.832 2.067 882 HG LEU 120 HG LEU 120 -1.304 -13.651 4.861 883 HD11 LEU 120 HD11 LEU 120 0.363 -15.264 5.646 884 HD12 LEU 120 HD12 LEU 120 0.881 -15.559 3.984 885 HD13 LEU 120 HD13 LEU 120 -0.753 -15.997 4.493 886 HD21 LEU 120 HD21 LEU 120 0.223 -11.820 4.233 887 HD22 LEU 120 HD22 LEU 120 1.486 -12.988 3.839 888 HD23 LEU 120 HD23 LEU 120 0.923 -12.822 5.504 889 HA PRO 121 HA PRO 121 -5.866 -13.184 4.199 890 HB2 PRO 121 HB2 PRO 121 -5.169 -16.122 4.043 891 HB3 PRO 121 HB3 PRO 121 -6.758 -15.349 3.990 892 HG2 PRO 121 HG2 PRO 121 -5.630 -16.198 1.735 893 HG3 PRO 121 HG3 PRO 121 -6.482 -14.640 1.762 894 HD2 PRO 121 HD2 PRO 121 -3.527 -15.186 1.736 895 HD3 PRO 121 HD3 PRO 121 -4.436 -13.858 0.980 896 H VAL 122 H VAL 122 -4.758 -12.180 5.934 897 HA VAL 122 HA VAL 122 -3.437 -13.948 7.918 898 HB VAL 122 HB VAL 122 -1.839 -12.299 7.113 899 HG11 VAL 122 HG11 VAL 122 -3.796 -10.101 7.890 900 HG12 VAL 122 HG12 VAL 122 -3.353 -10.566 6.246 901 HG13 VAL 122 HG13 VAL 122 -2.142 -9.856 7.315 902 HG21 VAL 122 HG21 VAL 122 -1.192 -11.188 9.243 903 HG22 VAL 122 HG22 VAL 122 -1.673 -12.866 9.500 904 HG23 VAL 122 HG23 VAL 122 -2.784 -11.558 9.918 905 H LEU 123 H LEU 123 -4.371 -14.172 9.842 906 HA LEU 123 HA LEU 123 -6.150 -12.134 10.945 907 HB2 LEU 123 HB2 LEU 123 -7.825 -13.856 11.625 908 HB3 LEU 123 HB3 LEU 123 -7.733 -13.505 9.912 909 HG LEU 123 HG LEU 123 -6.171 -15.679 9.869 910 HD11 LEU 123 HD11 LEU 123 -7.881 -16.264 12.302 911 HD12 LEU 123 HD12 LEU 123 -6.123 -16.096 12.274 912 HD13 LEU 123 HD13 LEU 123 -6.892 -17.427 11.415 913 HD21 LEU 123 HD21 LEU 123 -8.123 -17.004 9.251 914 HD22 LEU 123 HD22 LEU 123 -8.227 -15.362 8.614 915 HD23 LEU 123 HD23 LEU 123 -9.187 -15.819 10.022 916 H GLU 124 H GLU 124 -6.450 -12.291 13.262 917 HA GLU 124 HA GLU 124 -4.140 -13.054 14.731 918 HB2 GLU 124 HB2 GLU 124 -5.655 -11.185 15.379 919 HB3 GLU 124 HB3 GLU 124 -6.915 -12.350 15.770 920 HG2 GLU 124 HG2 GLU 124 -5.430 -13.304 17.538 921 HG3 GLU 124 HG3 GLU 124 -4.233 -12.065 17.161 922 H HIS 125 H HIS 125 -3.657 -15.208 14.667 923 HA HIS 125 HA HIS 125 -5.610 -17.201 15.686 924 HB2 HIS 125 HB2 HIS 125 -4.892 -17.508 13.311 925 HB3 HIS 125 HB3 HIS 125 -3.216 -17.604 13.830 926 HD1 HIS 125 HD1 HIS 125 -2.381 -19.908 14.155 927 HD2 HIS 125 HD2 HIS 125 -6.512 -19.734 14.493 928 HE1 HIS 125 HE1 HIS 125 -3.117 -22.272 14.518 929 HE2 HIS 125 HE2 HIS 125 -5.581 -22.102 14.954 930 H HIS 126 H HIS 126 -3.221 -15.376 16.841 931 HA HIS 126 HA HIS 126 -1.671 -15.370 18.455 932 HB2 HIS 126 HB2 HIS 126 -3.262 -16.543 19.881 933 HB3 HIS 126 HB3 HIS 126 -2.813 -18.097 19.190 934 HD1 HIS 126 HD1 HIS 126 -0.782 -19.264 20.157 935 HD2 HIS 126 HD2 HIS 126 -1.317 -15.443 21.695 936 HE1 HIS 126 HE1 HIS 126 0.833 -19.080 22.058 937 HE2 HIS 126 HE2 HIS 126 0.624 -16.707 22.847 938 H HIS 127 H HIS 127 0.524 -15.707 18.578 939 HA HIS 127 HA HIS 127 1.680 -17.242 16.387 940 HB2 HIS 127 HB2 HIS 127 2.955 -15.291 18.343 941 HB3 HIS 127 HB3 HIS 127 3.780 -16.012 16.962 942 HD1 HIS 127 HD1 HIS 127 2.117 -13.006 17.864 943 HD2 HIS 127 HD2 HIS 127 2.217 -15.337 14.428 944 HE1 HIS 127 HE1 HIS 127 1.346 -11.500 16.011 945 HE2 HIS 127 HE2 HIS 127 1.641 -12.870 13.925 946 H HIS 128 H HIS 128 2.463 -19.214 16.603 947 HA HIS 128 HA HIS 128 4.310 -19.916 18.736 948 HB2 HIS 128 HB2 HIS 128 2.173 -20.756 19.684 949 HB3 HIS 128 HB3 HIS 128 1.836 -21.644 18.199 950 HD1 HIS 128 HD1 HIS 128 3.053 -23.870 17.852 951 HD2 HIS 128 HD2 HIS 128 4.184 -21.945 21.349 952 HE1 HIS 128 HE1 HIS 128 4.408 -25.546 19.122 953 HE2 HIS 128 HE2 HIS 128 4.893 -24.433 21.318 954 H HIS 129 H HIS 129 6.044 -20.344 17.447 955 HA HIS 129 HA HIS 129 5.698 -22.109 15.077 956 HB2 HIS 129 HB2 HIS 129 7.373 -20.824 13.850 957 HB3 HIS 129 HB3 HIS 129 6.094 -19.741 14.387 958 HD1 HIS 129 HD1 HIS 129 9.724 -20.527 14.910 959 HD2 HIS 129 HD2 HIS 129 6.920 -17.749 16.218 960 HE1 HIS 129 HE1 HIS 129 11.036 -18.769 16.121 961 HE2 HIS 129 HE2 HIS 129 9.344 -17.009 16.722 962 H HIS 130 H HIS 130 7.374 -23.554 14.583 963 HA HIS 130 HA HIS 130 9.034 -24.421 16.781 964 HB2 HIS 130 HB2 HIS 130 9.891 -26.160 15.114 965 HB3 HIS 130 HB3 HIS 130 8.172 -26.199 15.467 966 HD1 HIS 130 HD1 HIS 130 10.566 -25.153 12.732 967 HD2 HIS 130 HD2 HIS 130 6.532 -25.968 13.273 968 HE1 HIS 130 HE1 HIS 130 9.582 -25.217 10.424 969 HE2 HIS 130 HE2 HIS 130 7.114 -25.528 10.798 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -27.916 6.112 2.906 2 H2 MET 1 H2 MET 1 -27.669 5.876 1.250 3 H3 MET 1 H3 MET 1 -27.480 7.417 1.920 4 HA MET 1 HA MET 1 -25.607 6.678 3.220 5 HB2 MET 1 HB2 MET 1 -25.933 4.047 1.710 6 HB3 MET 1 HB3 MET 1 -24.637 4.435 2.836 7 HG2 MET 1 HG2 MET 1 -26.271 4.524 4.677 8 HG3 MET 1 HG3 MET 1 -27.568 4.132 3.540 9 HE1 MET 1 HE1 MET 1 -27.160 2.415 6.153 10 HE2 MET 1 HE2 MET 1 -27.248 0.772 5.520 11 HE3 MET 1 HE3 MET 1 -28.358 2.005 4.924 12 H GLY 2 H GLY 2 -24.084 7.932 2.254 13 HA2 GLY 2 HA2 GLY 2 -23.788 8.147 -0.620 14 HA3 GLY 2 HA3 GLY 2 -22.847 8.991 0.601 15 H GLN 3 H GLN 3 -23.274 5.727 -0.788 16 HA GLN 3 HA GLN 3 -20.415 5.317 -1.124 17 HB2 GLN 3 HB2 GLN 3 -20.299 3.266 0.242 18 HB3 GLN 3 HB3 GLN 3 -20.716 4.656 1.237 19 HG2 GLN 3 HG2 GLN 3 -23.092 3.946 1.217 20 HG3 GLN 3 HG3 GLN 3 -22.654 2.545 0.240 21 HE21 GLN 3 HE21 GLN 3 -23.904 2.567 2.866 22 HE22 GLN 3 HE22 GLN 3 -22.854 1.689 3.915 23 H GLY 4 H GLY 4 -19.936 3.514 -2.545 24 HA2 GLY 4 HA2 GLY 4 -22.050 1.791 -3.560 25 HA3 GLY 4 HA3 GLY 4 -21.551 3.030 -4.697 26 H GLN 5 H GLN 5 -20.893 -0.074 -3.488 27 HA GLN 5 HA GLN 5 -18.280 -0.234 -4.905 28 HB2 GLN 5 HB2 GLN 5 -19.465 -2.075 -2.768 29 HB3 GLN 5 HB3 GLN 5 -17.965 -2.396 -3.626 30 HG2 GLN 5 HG2 GLN 5 -17.372 -1.546 -1.475 31 HG3 GLN 5 HG3 GLN 5 -17.029 -0.270 -2.637 32 HE21 GLN 5 HE21 GLN 5 -17.082 1.315 -0.980 33 HE22 GLN 5 HE22 GLN 5 -18.563 1.830 -0.261 34 H ASN 6 H ASN 6 -18.483 -1.038 -6.944 35 HA ASN 6 HA ASN 6 -19.911 -3.488 -7.469 36 HB2 ASN 6 HB2 ASN 6 -21.293 -2.469 -9.376 37 HB3 ASN 6 HB3 ASN 6 -21.840 -2.104 -7.747 38 HD21 ASN 6 HD21 ASN 6 -20.404 -0.786 -10.634 39 HD22 ASN 6 HD22 ASN 6 -20.601 0.874 -10.223 40 H VAL 7 H VAL 7 -18.056 -4.419 -8.190 41 HA VAL 7 HA VAL 7 -16.291 -4.988 -9.445 42 HB VAL 7 HB VAL 7 -18.018 -4.191 -11.816 43 HG11 VAL 7 HG11 VAL 7 -17.038 -6.236 -12.842 44 HG12 VAL 7 HG12 VAL 7 -16.089 -6.496 -11.376 45 HG13 VAL 7 HG13 VAL 7 -15.791 -5.074 -12.375 46 HG21 VAL 7 HG21 VAL 7 -19.223 -6.353 -11.579 47 HG22 VAL 7 HG22 VAL 7 -19.496 -5.319 -10.174 48 HG23 VAL 7 HG23 VAL 7 -18.365 -6.671 -10.066 49 H LEU 8 H LEU 8 -15.073 -3.086 -8.595 50 HA LEU 8 HA LEU 8 -14.325 -1.149 -10.696 51 HB2 LEU 8 HB2 LEU 8 -13.943 0.542 -8.903 52 HB3 LEU 8 HB3 LEU 8 -15.607 0.083 -9.120 53 HG LEU 8 HG LEU 8 -15.133 0.493 -6.774 54 HD11 LEU 8 HD11 LEU 8 -15.959 -1.522 -5.699 55 HD12 LEU 8 HD12 LEU 8 -15.671 -2.428 -7.187 56 HD13 LEU 8 HD13 LEU 8 -16.846 -1.113 -7.167 57 HD21 LEU 8 HD21 LEU 8 -12.743 -0.021 -6.685 58 HD22 LEU 8 HD22 LEU 8 -13.111 -1.747 -6.778 59 HD23 LEU 8 HD23 LEU 8 -13.639 -0.803 -5.382 60 H GLY 9 H GLY 9 -13.158 -3.637 -8.775 61 HA2 GLY 9 HA2 GLY 9 -10.886 -2.716 -7.491 62 HA3 GLY 9 HA3 GLY 9 -11.133 -4.366 -8.008 63 H GLN 10 H GLN 10 -11.099 -3.677 -10.859 64 HA GLN 10 HA GLN 10 -8.702 -2.215 -11.497 65 HB2 GLN 10 HB2 GLN 10 -7.482 -4.046 -12.597 66 HB3 GLN 10 HB3 GLN 10 -7.714 -4.427 -10.894 67 HG2 GLN 10 HG2 GLN 10 -9.459 -6.014 -11.406 68 HG3 GLN 10 HG3 GLN 10 -9.482 -5.524 -13.102 69 HE21 GLN 10 HE21 GLN 10 -9.072 -7.640 -13.797 70 HE22 GLN 10 HE22 GLN 10 -7.524 -8.384 -13.630 71 H ASP 11 H ASP 11 -8.277 -2.750 -14.043 72 HA ASP 11 HA ASP 11 -8.913 -2.626 -16.184 73 HB2 ASP 11 HB2 ASP 11 -9.845 -4.859 -15.847 74 HB3 ASP 11 HB3 ASP 11 -11.345 -4.178 -15.228 75 H LEU 12 H LEU 12 -9.058 -0.367 -16.278 76 HA LEU 12 HA LEU 12 -11.770 0.596 -16.875 77 HB2 LEU 12 HB2 LEU 12 -10.974 2.938 -16.059 78 HB3 LEU 12 HB3 LEU 12 -11.547 1.782 -14.888 79 HG LEU 12 HG LEU 12 -9.590 3.166 -14.130 80 HD11 LEU 12 HD11 LEU 12 -8.357 1.403 -13.014 81 HD12 LEU 12 HD12 LEU 12 -9.025 0.197 -14.118 82 HD13 LEU 12 HD13 LEU 12 -10.088 1.063 -13.006 83 HD21 LEU 12 HD21 LEU 12 -8.330 3.298 -16.218 84 HD22 LEU 12 HD22 LEU 12 -7.958 1.576 -16.123 85 HD23 LEU 12 HD23 LEU 12 -7.326 2.687 -14.903 86 H GLU 13 H GLU 13 -11.599 2.692 -18.266 87 HA GLU 13 HA GLU 13 -10.268 1.779 -20.663 88 HB2 GLU 13 HB2 GLU 13 -11.501 3.584 -21.789 89 HB3 GLU 13 HB3 GLU 13 -12.568 2.651 -20.745 90 HG2 GLU 13 HG2 GLU 13 -12.559 4.435 -19.071 91 HG3 GLU 13 HG3 GLU 13 -11.374 5.351 -20.006 92 H VAL 14 H VAL 14 -9.641 3.943 -22.122 93 HA VAL 14 HA VAL 14 -7.014 4.537 -21.551 94 HB VAL 14 HB VAL 14 -7.810 4.716 -23.807 95 HG11 VAL 14 HG11 VAL 14 -9.581 7.035 -22.953 96 HG12 VAL 14 HG12 VAL 14 -10.133 5.419 -23.397 97 HG13 VAL 14 HG13 VAL 14 -9.377 6.455 -24.609 98 HG21 VAL 14 HG21 VAL 14 -6.970 7.501 -22.899 99 HG22 VAL 14 HG22 VAL 14 -6.863 6.883 -24.548 100 HG23 VAL 14 HG23 VAL 14 -5.877 6.168 -23.271 101 H CYS 15 H CYS 15 -6.267 5.513 -19.814 102 HA CYS 15 HA CYS 15 -7.562 7.754 -18.478 103 HB2 CYS 15 HB2 CYS 15 -4.957 6.297 -17.879 104 HB3 CYS 15 HB3 CYS 15 -5.705 7.509 -16.839 105 HG CYS 15 HG CYS 15 -7.751 4.980 -17.618 106 H CYS 16 H CYS 16 -4.513 7.154 -20.216 107 HA CYS 16 HA CYS 16 -3.642 9.923 -20.087 108 HB2 CYS 16 HB2 CYS 16 -1.928 8.186 -19.972 109 HB3 CYS 16 HB3 CYS 16 -2.465 7.496 -21.501 110 HG CYS 16 HG CYS 16 -1.505 9.455 -23.102 111 H CYS 17 H CYS 17 -5.307 11.030 -21.178 112 HA CYS 17 HA CYS 17 -5.013 11.215 -24.058 113 HB2 CYS 17 HB2 CYS 17 -6.690 9.424 -23.957 114 HB3 CYS 17 HB3 CYS 17 -7.707 10.389 -22.894 115 HG CYS 17 HG CYS 17 -7.096 12.123 -25.600 116 H ALA 18 H ALA 18 -7.318 12.163 -21.454 117 HA ALA 18 HA ALA 18 -6.950 15.011 -22.204 118 HB1 ALA 18 HB1 ALA 18 -9.305 13.811 -20.704 119 HB2 ALA 18 HB2 ALA 18 -9.291 14.261 -22.408 120 HB3 ALA 18 HB3 ALA 18 -9.117 15.505 -21.170 121 HA PRO 19 HA PRO 19 -6.033 14.969 -17.389 122 HB2 PRO 19 HB2 PRO 19 -5.942 12.080 -16.619 123 HB3 PRO 19 HB3 PRO 19 -6.689 13.442 -15.769 124 HG2 PRO 19 HG2 PRO 19 -8.205 11.601 -17.005 125 HG3 PRO 19 HG3 PRO 19 -8.661 13.320 -17.032 126 HD2 PRO 19 HD2 PRO 19 -7.247 11.707 -19.174 127 HD3 PRO 19 HD3 PRO 19 -8.639 12.802 -19.337 128 H MET 20 H MET 20 -3.920 15.479 -17.461 129 HA MET 20 HA MET 20 -2.002 14.016 -19.016 130 HB2 MET 20 HB2 MET 20 -1.684 16.445 -17.208 131 HB3 MET 20 HB3 MET 20 -0.404 15.793 -18.230 132 HG2 MET 20 HG2 MET 20 -3.046 16.913 -19.199 133 HG3 MET 20 HG3 MET 20 -1.471 17.716 -19.287 134 HE1 MET 20 HE1 MET 20 -1.927 18.092 -21.926 135 HE2 MET 20 HE2 MET 20 -3.455 17.212 -21.838 136 HE3 MET 20 HE3 MET 20 -2.252 16.774 -23.052 137 H THR 21 H THR 21 -1.638 12.024 -18.147 138 HA THR 21 HA THR 21 -0.869 11.528 -15.402 139 HB THR 21 HB THR 21 -0.430 9.202 -16.202 140 HG1 THR 21 HG1 THR 21 -0.440 8.715 -18.330 141 HG21 THR 21 HG21 THR 21 -2.759 9.801 -15.626 142 HG22 THR 21 HG22 THR 21 -2.726 8.647 -16.961 143 HG23 THR 21 HG23 THR 21 -3.036 10.356 -17.280 144 H GLY 22 H GLY 22 0.773 12.913 -17.929 145 HA2 GLY 22 HA2 GLY 22 3.196 13.316 -16.679 146 HA3 GLY 22 HA3 GLY 22 3.426 11.872 -17.663 147 H TRP 23 H TRP 23 2.362 12.151 -19.918 148 HA TRP 23 HA TRP 23 2.176 14.706 -21.172 149 HB2 TRP 23 HB2 TRP 23 4.698 14.506 -20.924 150 HB3 TRP 23 HB3 TRP 23 4.649 13.040 -21.892 151 HD1 TRP 23 HD1 TRP 23 3.491 16.750 -22.378 152 HE1 TRP 23 HE1 TRP 23 4.079 17.450 -24.780 153 HE3 TRP 23 HE3 TRP 23 5.535 12.360 -24.036 154 HZ2 TRP 23 HZ2 TRP 23 5.248 16.306 -27.077 155 HZ3 TRP 23 HZ3 TRP 23 6.371 12.243 -26.352 156 HH2 TRP 23 HH2 TRP 23 6.230 14.181 -27.844 157 H TYR 24 H TYR 24 1.888 14.321 -23.683 158 HA TYR 24 HA TYR 24 0.211 12.083 -24.218 159 HB2 TYR 24 HB2 TYR 24 -0.067 14.193 -25.446 160 HB3 TYR 24 HB3 TYR 24 1.540 14.035 -26.150 161 HD1 TYR 24 HD1 TYR 24 -1.742 12.176 -25.956 162 HD2 TYR 24 HD2 TYR 24 1.713 13.050 -28.325 163 HE1 TYR 24 HE1 TYR 24 -2.704 10.914 -27.834 164 HE2 TYR 24 HE2 TYR 24 0.741 11.794 -30.203 165 HH TYR 24 HH TYR 24 -2.491 10.822 -30.318 166 H ARG 25 H ARG 25 1.432 10.272 -23.614 167 HA ARG 25 HA ARG 25 3.809 9.519 -25.176 168 HB2 ARG 25 HB2 ARG 25 2.437 8.142 -22.824 169 HB3 ARG 25 HB3 ARG 25 3.942 7.611 -23.574 170 HG2 ARG 25 HG2 ARG 25 5.047 9.694 -22.864 171 HG3 ARG 25 HG3 ARG 25 3.537 10.264 -22.148 172 HD2 ARG 25 HD2 ARG 25 5.080 9.354 -20.448 173 HD3 ARG 25 HD3 ARG 25 3.581 8.425 -20.528 174 HE ARG 25 HE ARG 25 5.362 7.138 -22.207 175 HH11 ARG 25 HH11 ARG 25 5.320 7.881 -18.822 176 HH12 ARG 25 HH12 ARG 25 6.217 6.465 -18.406 177 HH21 ARG 25 HH21 ARG 25 6.479 5.346 -21.649 178 HH22 ARG 25 HH22 ARG 25 6.870 5.046 -19.992 179 H ASN 26 H ASN 26 0.648 8.116 -24.275 180 HA ASN 26 HA ASN 26 -0.047 7.099 -26.802 181 HB2 ASN 26 HB2 ASN 26 1.800 5.453 -26.281 182 HB3 ASN 26 HB3 ASN 26 0.960 4.998 -24.806 183 HD21 ASN 26 HD21 ASN 26 0.701 2.855 -25.409 184 HD22 ASN 26 HD22 ASN 26 -0.327 2.351 -26.699 185 H GLY 27 H GLY 27 -2.133 6.026 -26.669 186 HA2 GLY 27 HA2 GLY 27 -3.950 6.864 -24.717 187 HA3 GLY 27 HA3 GLY 27 -4.211 5.535 -25.835 188 H PHE 28 H PHE 28 -3.731 6.394 -22.597 189 HA PHE 28 HA PHE 28 -4.182 5.263 -20.692 190 HB2 PHE 28 HB2 PHE 28 -5.586 3.660 -21.918 191 HB3 PHE 28 HB3 PHE 28 -4.171 2.716 -22.362 192 HD1 PHE 28 HD2 PHE 28 -5.786 4.089 -19.271 193 HD2 PHE 28 HD1 PHE 28 -3.796 0.764 -21.077 194 HE1 PHE 28 HE2 PHE 28 -6.075 2.785 -17.209 195 HE2 PHE 28 HE1 PHE 28 -4.080 -0.533 -19.002 196 HZ PHE 28 HZ PHE 28 -5.225 0.480 -17.067 197 H CYS 29 H CYS 29 -2.908 4.581 -19.005 198 HA CYS 29 HA CYS 29 -0.051 4.197 -19.506 199 HB2 CYS 29 HB2 CYS 29 -1.541 4.492 -16.863 200 HB3 CYS 29 HB3 CYS 29 0.206 4.586 -17.094 201 HG CYS 29 HG CYS 29 -1.027 7.104 -16.591 202 H GLN 30 H GLN 30 0.185 2.055 -20.186 203 HA GLN 30 HA GLN 30 -0.785 -0.164 -18.561 204 HB2 GLN 30 HB2 GLN 30 0.369 -1.612 -20.223 205 HB3 GLN 30 HB3 GLN 30 -0.766 -0.495 -20.968 206 HG2 GLN 30 HG2 GLN 30 1.055 0.923 -21.740 207 HG3 GLN 30 HG3 GLN 30 2.237 -0.061 -20.878 208 HE21 GLN 30 HE21 GLN 30 2.030 0.586 -23.742 209 HE22 GLN 30 HE22 GLN 30 1.974 -0.932 -24.563 210 H THR 31 H THR 31 0.433 -1.453 -17.255 211 HA THR 31 HA THR 31 3.224 -0.648 -16.581 212 HB THR 31 HB THR 31 1.639 -0.440 -14.689 213 HG1 THR 31 HG1 THR 31 3.328 -2.703 -14.268 214 HG21 THR 31 HG21 THR 31 0.508 -2.409 -13.712 215 HG22 THR 31 HG22 THR 31 1.106 -3.417 -15.029 216 HG23 THR 31 HG23 THR 31 -0.044 -2.121 -15.364 217 H ASP 32 H ASP 32 1.850 -2.654 -18.581 218 HA ASP 32 HA ASP 32 2.736 -5.288 -17.683 219 HB2 ASP 32 HB2 ASP 32 1.191 -4.486 -20.188 220 HB3 ASP 32 HB3 ASP 32 1.358 -6.114 -19.521 221 H VAL 33 H VAL 33 3.563 -6.738 -19.470 222 HA VAL 33 HA VAL 33 5.293 -7.490 -20.667 223 HB VAL 33 HB VAL 33 5.560 -6.720 -22.925 224 HG11 VAL 33 HG11 VAL 33 2.658 -6.343 -22.073 225 HG12 VAL 33 HG12 VAL 33 3.450 -7.881 -22.428 226 HG13 VAL 33 HG13 VAL 33 3.221 -6.696 -23.711 227 HG21 VAL 33 HG21 VAL 33 4.149 -4.112 -22.187 228 HG22 VAL 33 HG22 VAL 33 4.643 -4.593 -23.814 229 HG23 VAL 33 HG23 VAL 33 5.860 -4.288 -22.575 230 H GLN 34 H GLN 34 6.011 -5.273 -18.643 231 HA GLN 34 HA GLN 34 8.822 -4.913 -19.555 232 HB2 GLN 34 HB2 GLN 34 7.425 -3.204 -17.443 233 HB3 GLN 34 HB3 GLN 34 9.034 -2.959 -18.117 234 HG2 GLN 34 HG2 GLN 34 6.395 -2.628 -19.576 235 HG3 GLN 34 HG3 GLN 34 7.456 -1.337 -19.027 236 HE21 GLN 34 HE21 GLN 34 9.919 -2.653 -19.936 237 HE22 GLN 34 HE22 GLN 34 9.901 -2.559 -21.654 238 H ASP 35 H ASP 35 7.456 -4.577 -16.287 239 HA ASP 35 HA ASP 35 7.771 -5.618 -14.317 240 HB2 ASP 35 HB2 ASP 35 7.807 -8.114 -16.052 241 HB3 ASP 35 HB3 ASP 35 7.422 -8.059 -14.329 242 H ARG 36 H ARG 36 10.068 -4.487 -14.831 243 HA ARG 36 HA ARG 36 12.240 -6.466 -14.397 244 HB2 ARG 36 HB2 ARG 36 12.431 -3.826 -15.909 245 HB3 ARG 36 HB3 ARG 36 13.759 -4.954 -15.642 246 HG2 ARG 36 HG2 ARG 36 11.261 -5.528 -17.275 247 HG3 ARG 36 HG3 ARG 36 12.839 -5.092 -17.935 248 HD2 ARG 36 HD2 ARG 36 13.816 -7.149 -17.140 249 HD3 ARG 36 HD3 ARG 36 12.363 -7.557 -16.219 250 HE ARG 36 HE ARG 36 11.429 -7.362 -18.747 251 HH11 ARG 36 HH11 ARG 36 14.136 -9.134 -17.507 252 HH12 ARG 36 HH12 ARG 36 13.889 -10.447 -18.597 253 HH21 ARG 36 HH21 ARG 36 11.139 -9.049 -20.093 254 HH22 ARG 36 HH22 ARG 36 12.195 -10.412 -20.039 255 H GLY 37 H GLY 37 10.566 -4.001 -12.881 256 HA2 GLY 37 HA2 GLY 37 10.990 -2.782 -10.957 257 HA3 GLY 37 HA3 GLY 37 12.618 -3.444 -10.919 258 H SER 38 H SER 38 10.582 -0.962 -12.419 259 HA SER 38 HA SER 38 12.936 0.811 -12.788 260 HB2 SER 38 HB2 SER 38 10.578 0.553 -14.717 261 HB3 SER 38 HB3 SER 38 11.905 1.708 -14.871 262 HG SER 38 HG SER 38 12.430 0.019 -16.165 263 H HIS 39 H HIS 39 9.340 0.938 -12.908 264 HA HIS 39 HA HIS 39 9.092 2.902 -10.800 265 HB2 HIS 39 HB2 HIS 39 8.152 4.735 -12.180 266 HB3 HIS 39 HB3 HIS 39 9.807 4.382 -12.668 267 HD1 HIS 39 HD1 HIS 39 6.262 4.117 -13.852 268 HD2 HIS 39 HD2 HIS 39 10.087 3.364 -15.285 269 HE1 HIS 39 HE1 HIS 39 5.980 3.645 -16.297 270 HE2 HIS 39 HE2 HIS 39 8.316 3.321 -17.167 271 H THR 40 H THR 40 8.056 0.266 -11.828 272 HA THR 40 HA THR 40 5.187 0.664 -12.348 273 HB THR 40 HB THR 40 5.276 -1.812 -12.901 274 HG1 THR 40 HG1 THR 40 7.055 -2.917 -12.502 275 HG21 THR 40 HG21 THR 40 7.366 -0.168 -14.361 276 HG22 THR 40 HG22 THR 40 5.632 -0.147 -14.709 277 HG23 THR 40 HG23 THR 40 6.570 -1.621 -14.968 278 H VAL 41 H VAL 41 3.986 0.807 -10.452 279 HA VAL 41 HA VAL 41 4.243 -1.435 -8.522 280 HB VAL 41 HB VAL 41 3.373 1.376 -7.705 281 HG11 VAL 41 HG11 VAL 41 3.498 0.497 -5.388 282 HG12 VAL 41 HG12 VAL 41 3.953 -1.092 -6.005 283 HG13 VAL 41 HG13 VAL 41 2.352 -0.436 -6.355 284 HG21 VAL 41 HG21 VAL 41 6.061 0.039 -7.191 285 HG22 VAL 41 HG22 VAL 41 5.521 1.539 -6.434 286 HG23 VAL 41 HG23 VAL 41 5.777 1.473 -8.183 287 H CYS 42 H CYS 42 2.464 -2.681 -8.622 288 HA CYS 42 HA CYS 42 -0.216 -1.398 -8.723 289 HB2 CYS 42 HB2 CYS 42 0.571 -4.208 -9.612 290 HB3 CYS 42 HB3 CYS 42 -1.081 -3.588 -9.567 291 HG CYS 42 HG CYS 42 0.440 -3.710 -12.168 292 H ALA 43 H ALA 43 -0.969 -1.288 -6.689 293 HA ALA 43 HA ALA 43 -0.650 -3.517 -4.780 294 HB1 ALA 43 HB1 ALA 43 0.062 -0.619 -4.170 295 HB2 ALA 43 HB2 ALA 43 1.210 -1.954 -4.302 296 HB3 ALA 43 HB3 ALA 43 0.029 -1.935 -2.990 297 H GLU 44 H GLU 44 -2.332 -3.503 -3.135 298 HA GLU 44 HA GLU 44 -4.697 -1.961 -4.044 299 HB2 GLU 44 HB2 GLU 44 -4.615 -4.550 -4.354 300 HB3 GLU 44 HB3 GLU 44 -4.897 -4.626 -2.615 301 HG2 GLU 44 HG2 GLU 44 -6.946 -3.261 -2.922 302 HG3 GLU 44 HG3 GLU 44 -6.646 -3.255 -4.666 303 H MET 45 H MET 45 -5.374 -0.469 -2.668 304 HA MET 45 HA MET 45 -4.832 -0.689 0.222 305 HB2 MET 45 HB2 MET 45 -5.836 1.770 -1.283 306 HB3 MET 45 HB3 MET 45 -5.170 1.691 0.346 307 HG2 MET 45 HG2 MET 45 -3.601 1.115 -2.176 308 HG3 MET 45 HG3 MET 45 -3.535 2.611 -1.253 309 HE1 MET 45 HE1 MET 45 -3.732 1.438 1.732 310 HE2 MET 45 HE2 MET 45 -2.611 2.728 1.288 311 HE3 MET 45 HE3 MET 45 -2.024 1.308 2.153 312 H THR 46 H THR 46 -6.431 -1.002 1.620 313 HA THR 46 HA THR 46 -9.155 -1.494 0.741 314 HB THR 46 HB THR 46 -7.868 -1.856 3.492 315 HG1 THR 46 HG1 THR 46 -8.293 -3.665 1.321 316 HG21 THR 46 HG21 THR 46 -10.331 -1.712 3.665 317 HG22 THR 46 HG22 THR 46 -9.781 -3.359 3.978 318 HG23 THR 46 HG23 THR 46 -10.499 -2.952 2.419 319 H GLU 47 H GLU 47 -10.979 -0.556 1.755 320 HA GLU 47 HA GLU 47 -11.167 2.150 1.577 321 HB2 GLU 47 HB2 GLU 47 -12.993 0.348 1.561 322 HB3 GLU 47 HB3 GLU 47 -13.026 0.493 3.316 323 HG2 GLU 47 HG2 GLU 47 -13.641 2.882 3.098 324 HG3 GLU 47 HG3 GLU 47 -13.592 2.728 1.343 325 H GLU 48 H GLU 48 -10.403 0.366 4.492 326 HA GLU 48 HA GLU 48 -10.883 2.076 6.583 327 HB2 GLU 48 HB2 GLU 48 -8.343 0.429 6.197 328 HB3 GLU 48 HB3 GLU 48 -8.978 0.998 7.741 329 HG2 GLU 48 HG2 GLU 48 -10.345 -1.008 5.904 330 HG3 GLU 48 HG3 GLU 48 -9.395 -1.409 7.335 331 H PHE 49 H PHE 49 -7.869 2.042 4.619 332 HA PHE 49 HA PHE 49 -6.741 4.328 5.955 333 HB2 PHE 49 HB2 PHE 49 -5.264 2.580 5.104 334 HB3 PHE 49 HB3 PHE 49 -5.829 2.851 3.459 335 HD1 PHE 49 HD2 PHE 49 -4.354 4.848 6.297 336 HD2 PHE 49 HD1 PHE 49 -4.415 4.135 2.076 337 HE1 PHE 49 HE2 PHE 49 -2.607 6.549 5.980 338 HE2 PHE 49 HE1 PHE 49 -2.675 5.850 1.774 339 HZ PHE 49 HZ PHE 49 -1.767 7.055 3.720 340 H LEU 50 H LEU 50 -8.584 3.885 2.941 341 HA LEU 50 HA LEU 50 -7.841 6.442 1.840 342 HB2 LEU 50 HB2 LEU 50 -10.035 4.495 1.062 343 HB3 LEU 50 HB3 LEU 50 -9.745 6.000 0.221 344 HG LEU 50 HG LEU 50 -7.364 5.173 -0.218 345 HD11 LEU 50 HD11 LEU 50 -7.034 2.760 -0.231 346 HD12 LEU 50 HD12 LEU 50 -8.586 2.521 0.563 347 HD13 LEU 50 HD13 LEU 50 -7.282 3.367 1.401 348 HD21 LEU 50 HD21 LEU 50 -9.049 5.320 -1.974 349 HD22 LEU 50 HD22 LEU 50 -9.696 3.741 -1.521 350 HD23 LEU 50 HD23 LEU 50 -8.064 3.871 -2.189 351 H LEU 51 H LEU 51 -10.600 5.279 3.749 352 HA LEU 51 HA LEU 51 -11.989 7.799 3.784 353 HB2 LEU 51 HB2 LEU 51 -12.260 5.372 5.599 354 HB3 LEU 51 HB3 LEU 51 -13.291 6.789 5.695 355 HG LEU 51 HG LEU 51 -13.153 4.762 3.439 356 HD11 LEU 51 HD11 LEU 51 -14.529 4.133 5.371 357 HD12 LEU 51 HD12 LEU 51 -15.515 4.403 3.937 358 HD13 LEU 51 HD13 LEU 51 -15.460 5.627 5.210 359 HD21 LEU 51 HD21 LEU 51 -14.828 6.120 2.229 360 HD22 LEU 51 HD22 LEU 51 -13.290 6.960 2.385 361 HD23 LEU 51 HD23 LEU 51 -14.645 7.410 3.422 362 H PHE 52 H PHE 52 -9.577 6.232 5.894 363 HA PHE 52 HA PHE 52 -9.434 8.128 7.967 364 HB2 PHE 52 HB2 PHE 52 -8.185 6.085 8.197 365 HB3 PHE 52 HB3 PHE 52 -7.301 6.362 6.704 366 HD1 PHE 52 HD1 PHE 52 -7.839 8.160 9.987 367 HD2 PHE 52 HD2 PHE 52 -5.037 6.932 6.987 368 HE1 PHE 52 HE1 PHE 52 -6.009 9.194 11.264 369 HE2 PHE 52 HE2 PHE 52 -3.222 7.977 8.272 370 HZ PHE 52 HZ PHE 52 -3.700 9.105 10.408 371 H SER 53 H SER 53 -7.622 8.042 4.893 372 HA SER 53 HA SER 53 -6.206 10.465 5.208 373 HB2 SER 53 HB2 SER 53 -6.961 8.939 2.685 374 HB3 SER 53 HB3 SER 53 -5.825 10.291 2.720 375 HG SER 53 HG SER 53 -5.538 7.680 3.674 376 H ARG 54 H ARG 54 -9.284 9.763 3.544 377 HA ARG 54 HA ARG 54 -9.768 12.305 2.437 378 HB2 ARG 54 HB2 ARG 54 -10.946 10.252 1.740 379 HB3 ARG 54 HB3 ARG 54 -11.762 10.167 3.296 380 HG2 ARG 54 HG2 ARG 54 -13.043 12.167 2.809 381 HG3 ARG 54 HG3 ARG 54 -12.097 12.477 1.353 382 HD2 ARG 54 HD2 ARG 54 -12.992 10.405 0.326 383 HD3 ARG 54 HD3 ARG 54 -13.937 10.097 1.785 384 HE ARG 54 HE ARG 54 -15.377 11.864 1.238 385 HH11 ARG 54 HH11 ARG 54 -12.933 11.541 -1.222 386 HH12 ARG 54 HH12 ARG 54 -13.818 12.492 -2.357 387 HH21 ARG 54 HH21 ARG 54 -16.482 13.029 -0.230 388 HH22 ARG 54 HH22 ARG 54 -15.820 13.317 -1.804 389 H ASP 55 H ASP 55 -11.029 10.897 5.486 390 HA ASP 55 HA ASP 55 -12.386 13.177 6.466 391 HB2 ASP 55 HB2 ASP 55 -12.760 10.808 7.205 392 HB3 ASP 55 HB3 ASP 55 -11.202 10.828 8.018 393 H ARG 56 H ARG 56 -9.050 12.128 6.755 394 HA ARG 56 HA ARG 56 -8.147 13.876 8.802 395 HB2 ARG 56 HB2 ARG 56 -6.922 11.871 8.242 396 HB3 ARG 56 HB3 ARG 56 -6.703 12.394 6.579 397 HG2 ARG 56 HG2 ARG 56 -5.148 14.127 7.276 398 HG3 ARG 56 HG3 ARG 56 -5.444 13.760 8.979 399 HD2 ARG 56 HD2 ARG 56 -3.307 12.791 8.104 400 HD3 ARG 56 HD3 ARG 56 -4.412 11.582 8.757 401 HE ARG 56 HE ARG 56 -5.056 11.305 6.263 402 HH11 ARG 56 HH11 ARG 56 -1.851 12.067 7.287 403 HH12 ARG 56 HH12 ARG 56 -1.120 11.099 6.056 404 HH21 ARG 56 HH21 ARG 56 -4.089 10.067 4.699 405 HH22 ARG 56 HH22 ARG 56 -2.368 9.994 4.614 406 H GLY 57 H GLY 57 -8.433 14.296 5.283 407 HA2 GLY 57 HA2 GLY 57 -8.954 16.711 4.717 408 HA3 GLY 57 HA3 GLY 57 -7.445 17.098 5.525 409 H ASN 58 H ASN 58 -7.484 14.207 3.623 410 HA ASN 58 HA ASN 58 -5.867 15.406 1.499 411 HB2 ASN 58 HB2 ASN 58 -6.712 12.509 1.989 412 HB3 ASN 58 HB3 ASN 58 -5.673 13.035 0.665 413 HD21 ASN 58 HD21 ASN 58 -3.548 13.744 1.145 414 HD22 ASN 58 HD22 ASN 58 -2.797 13.366 2.651 415 H ASP 59 H ASP 59 -8.891 13.535 1.779 416 HA ASP 59 HA ASP 59 -10.820 13.435 0.672 417 HB2 ASP 59 HB2 ASP 59 -10.016 16.229 -0.176 418 HB3 ASP 59 HB3 ASP 59 -11.555 15.521 -0.673 419 H LEU 60 H LEU 60 -8.002 13.331 -1.198 420 HA LEU 60 HA LEU 60 -9.182 13.330 -3.799 421 HB2 LEU 60 HB2 LEU 60 -6.790 13.917 -3.374 422 HB3 LEU 60 HB3 LEU 60 -6.469 12.234 -2.982 423 HG LEU 60 HG LEU 60 -7.077 11.572 -5.318 424 HD11 LEU 60 HD11 LEU 60 -8.677 13.347 -5.855 425 HD12 LEU 60 HD12 LEU 60 -7.402 13.270 -7.067 426 HD13 LEU 60 HD13 LEU 60 -7.380 14.547 -5.848 427 HD21 LEU 60 HD21 LEU 60 -4.716 12.029 -4.808 428 HD22 LEU 60 HD22 LEU 60 -4.942 13.731 -5.217 429 HD23 LEU 60 HD23 LEU 60 -5.105 12.495 -6.465 430 H MET 61 H MET 61 -10.806 11.926 -3.841 431 HA MET 61 HA MET 61 -10.249 9.153 -4.458 432 HB2 MET 61 HB2 MET 61 -10.704 9.052 -1.983 433 HB3 MET 61 HB3 MET 61 -12.226 9.893 -2.228 434 HG2 MET 61 HG2 MET 61 -12.893 7.915 -3.731 435 HG3 MET 61 HG3 MET 61 -11.502 7.073 -3.048 436 HE1 MET 61 HE1 MET 61 -11.241 6.743 -0.333 437 HE2 MET 61 HE2 MET 61 -12.525 7.139 0.807 438 HE3 MET 61 HE3 MET 61 -11.661 8.428 -0.028 439 H THR 62 H THR 62 -11.689 8.551 -6.089 440 HA THR 62 HA THR 62 -13.247 10.439 -7.457 441 HB THR 62 HB THR 62 -13.495 7.393 -7.648 442 HG1 THR 62 HG1 THR 62 -11.993 7.951 -9.532 443 HG21 THR 62 HG21 THR 62 -14.124 9.543 -9.716 444 HG22 THR 62 HG22 THR 62 -15.324 8.582 -8.847 445 HG23 THR 62 HG23 THR 62 -14.219 7.800 -9.982 446 HA PRO 63 HA PRO 63 -16.933 9.906 -4.726 447 HB2 PRO 63 HB2 PRO 63 -17.770 12.564 -4.920 448 HB3 PRO 63 HB3 PRO 63 -16.582 11.968 -3.762 449 HG2 PRO 63 HG2 PRO 63 -16.128 13.761 -5.976 450 HG3 PRO 63 HG3 PRO 63 -14.937 13.147 -4.815 451 HD2 PRO 63 HD2 PRO 63 -15.555 12.182 -7.581 452 HD3 PRO 63 HD3 PRO 63 -14.042 12.063 -6.653 453 H ARG 64 H ARG 64 -16.724 10.367 -8.000 454 HA ARG 64 HA ARG 64 -19.601 10.576 -8.549 455 HB2 ARG 64 HB2 ARG 64 -17.913 12.078 -9.711 456 HB3 ARG 64 HB3 ARG 64 -17.237 10.641 -10.467 457 HG2 ARG 64 HG2 ARG 64 -19.286 10.249 -11.707 458 HG3 ARG 64 HG3 ARG 64 -20.110 11.542 -10.829 459 HD2 ARG 64 HD2 ARG 64 -17.794 11.866 -12.767 460 HD3 ARG 64 HD3 ARG 64 -19.476 12.335 -13.043 461 HE ARG 64 HE ARG 64 -18.607 13.667 -10.753 462 HH11 ARG 64 HH11 ARG 64 -17.953 13.766 -14.146 463 HH12 ARG 64 HH12 ARG 64 -17.358 15.387 -14.083 464 HH21 ARG 64 HH21 ARG 64 -17.859 15.715 -10.704 465 HH22 ARG 64 HH22 ARG 64 -17.317 16.475 -12.159 466 HA PRO 65 HA PRO 65 -19.675 6.114 -8.718 467 HB2 PRO 65 HB2 PRO 65 -21.980 5.701 -10.218 468 HB3 PRO 65 HB3 PRO 65 -21.973 6.165 -8.512 469 HG2 PRO 65 HG2 PRO 65 -22.289 7.909 -10.951 470 HG3 PRO 65 HG3 PRO 65 -23.213 7.936 -9.433 471 HD2 PRO 65 HD2 PRO 65 -21.253 9.721 -9.906 472 HD3 PRO 65 HD3 PRO 65 -21.513 9.072 -8.273 473 H GLU 66 H GLU 66 -19.511 7.940 -11.693 474 HA GLU 66 HA GLU 66 -18.967 5.709 -13.436 475 HB2 GLU 66 HB2 GLU 66 -18.515 8.687 -13.788 476 HB3 GLU 66 HB3 GLU 66 -18.126 7.514 -15.030 477 HG2 GLU 66 HG2 GLU 66 -20.249 8.571 -15.528 478 HG3 GLU 66 HG3 GLU 66 -20.484 6.857 -15.185 479 H PHE 67 H PHE 67 -17.180 4.548 -13.354 480 HA PHE 67 HA PHE 67 -14.678 5.537 -12.177 481 HB2 PHE 67 HB2 PHE 67 -15.425 2.748 -13.171 482 HB3 PHE 67 HB3 PHE 67 -13.928 3.158 -12.336 483 HD1 PHE 67 HD1 PHE 67 -14.208 4.288 -9.954 484 HD2 PHE 67 HD2 PHE 67 -17.264 1.976 -11.869 485 HE1 PHE 67 HE1 PHE 67 -15.299 3.918 -7.779 486 HE2 PHE 67 HE2 PHE 67 -18.346 1.613 -9.689 487 HZ PHE 67 HZ PHE 67 -17.369 2.585 -7.643 488 H ASN 68 H ASN 68 -15.933 6.040 -15.033 489 HA ASN 68 HA ASN 68 -14.085 5.531 -17.051 490 HB2 ASN 68 HB2 ASN 68 -16.423 6.615 -17.143 491 HB3 ASN 68 HB3 ASN 68 -15.657 8.123 -16.679 492 HD21 ASN 68 HD21 ASN 68 -13.333 7.981 -18.394 493 HD22 ASN 68 HD22 ASN 68 -13.893 8.053 -20.015 494 H PHE 69 H PHE 69 -14.094 7.940 -14.497 495 HA PHE 69 HA PHE 69 -11.858 9.499 -15.429 496 HB2 PHE 69 HB2 PHE 69 -13.290 9.487 -12.730 497 HB3 PHE 69 HB3 PHE 69 -12.133 10.704 -13.265 498 HD1 PHE 69 HD2 PHE 69 -15.530 9.301 -13.907 499 HD2 PHE 69 HD1 PHE 69 -12.815 12.511 -14.730 500 HE1 PHE 69 HE2 PHE 69 -17.357 10.592 -14.934 501 HE2 PHE 69 HE1 PHE 69 -14.652 13.786 -15.751 502 HZ PHE 69 HZ PHE 69 -16.918 12.836 -15.849 503 HA PRO 70 HA PRO 70 -8.724 6.728 -13.574 504 HB2 PRO 70 HB2 PRO 70 -6.535 8.382 -13.914 505 HB3 PRO 70 HB3 PRO 70 -7.222 7.387 -15.205 506 HG2 PRO 70 HG2 PRO 70 -7.675 10.312 -14.627 507 HG3 PRO 70 HG3 PRO 70 -7.374 9.516 -16.186 508 HD2 PRO 70 HD2 PRO 70 -9.869 10.228 -15.428 509 HD3 PRO 70 HD3 PRO 70 -9.577 8.747 -16.370 510 H GLY 71 H GLY 71 -9.112 6.591 -11.430 511 HA2 GLY 71 HA2 GLY 71 -7.687 8.317 -9.593 512 HA3 GLY 71 HA3 GLY 71 -9.441 8.436 -9.467 513 H LEU 72 H LEU 72 -7.048 7.147 -7.865 514 HA LEU 72 HA LEU 72 -7.706 4.384 -7.600 515 HB2 LEU 72 HB2 LEU 72 -6.029 6.274 -5.926 516 HB3 LEU 72 HB3 LEU 72 -6.358 4.650 -5.362 517 HG LEU 72 HG LEU 72 -4.169 4.720 -6.375 518 HD11 LEU 72 HD11 LEU 72 -5.387 2.643 -6.622 519 HD12 LEU 72 HD12 LEU 72 -4.308 2.912 -7.987 520 HD13 LEU 72 HD13 LEU 72 -6.044 3.182 -8.170 521 HD21 LEU 72 HD21 LEU 72 -4.428 6.638 -7.867 522 HD22 LEU 72 HD22 LEU 72 -5.458 5.692 -8.944 523 HD23 LEU 72 HD23 LEU 72 -3.759 5.257 -8.732 524 H LYS 73 H LYS 73 -9.243 3.432 -6.486 525 HA LYS 73 HA LYS 73 -10.640 4.823 -4.285 526 HB2 LYS 73 HB2 LYS 73 -12.798 3.835 -4.991 527 HB3 LYS 73 HB3 LYS 73 -12.153 4.918 -6.214 528 HG2 LYS 73 HG2 LYS 73 -11.898 1.896 -6.366 529 HG3 LYS 73 HG3 LYS 73 -13.253 2.791 -7.057 530 HD2 LYS 73 HD2 LYS 73 -11.674 4.024 -8.538 531 HD3 LYS 73 HD3 LYS 73 -10.324 3.132 -7.834 532 HE2 LYS 73 HE2 LYS 73 -11.369 1.015 -8.677 533 HE3 LYS 73 HE3 LYS 73 -12.589 1.998 -9.497 534 HZ1 LYS 73 HZ1 LYS 73 -9.660 2.134 -9.969 535 HZ2 LYS 73 HZ2 LYS 73 -10.843 3.012 -10.805 536 HZ3 LYS 73 HZ3 LYS 73 -10.768 1.328 -10.957 537 H ALA 74 H ALA 74 -12.059 3.051 -3.089 538 HA ALA 74 HA ALA 74 -10.137 1.510 -1.709 539 HB1 ALA 74 HB1 ALA 74 -13.157 1.525 -1.494 540 HB2 ALA 74 HB2 ALA 74 -12.010 2.498 -0.553 541 HB3 ALA 74 HB3 ALA 74 -12.062 0.747 -0.347 542 H GLY 75 H GLY 75 -9.241 -0.304 -2.419 543 HA2 GLY 75 HA2 GLY 75 -9.201 -2.624 -2.809 544 HA3 GLY 75 HA3 GLY 75 -10.842 -2.564 -3.413 545 H ASP 76 H ASP 76 -8.604 -0.178 -4.609 546 HA ASP 76 HA ASP 76 -8.586 -1.409 -7.284 547 HB2 ASP 76 HB2 ASP 76 -9.205 1.079 -6.764 548 HB3 ASP 76 HB3 ASP 76 -7.491 1.340 -6.554 549 H ARG 77 H ARG 77 -6.736 -2.279 -8.191 550 HA ARG 77 HA ARG 77 -4.103 -1.536 -7.072 551 HB2 ARG 77 HB2 ARG 77 -3.391 -4.013 -7.787 552 HB3 ARG 77 HB3 ARG 77 -4.005 -3.636 -6.196 553 HG2 ARG 77 HG2 ARG 77 -4.935 -5.724 -7.005 554 HG3 ARG 77 HG3 ARG 77 -6.206 -4.529 -6.778 555 HD2 ARG 77 HD2 ARG 77 -6.561 -4.290 -9.096 556 HD3 ARG 77 HD3 ARG 77 -4.993 -4.982 -9.503 557 HE ARG 77 HE ARG 77 -5.865 -7.095 -9.327 558 HH11 ARG 77 HH11 ARG 77 -8.256 -4.901 -8.137 559 HH12 ARG 77 HH12 ARG 77 -9.507 -6.089 -8.214 560 HH21 ARG 77 HH21 ARG 77 -7.469 -8.562 -9.394 561 HH22 ARG 77 HH22 ARG 77 -9.068 -8.128 -8.904 562 H TRP 78 H TRP 78 -3.703 -0.077 -8.596 563 HA TRP 78 HA TRP 78 -2.355 -0.859 -10.948 564 HB2 TRP 78 HB2 TRP 78 -4.505 -1.172 -12.045 565 HB3 TRP 78 HB3 TRP 78 -5.131 0.338 -11.391 566 HD1 TRP 78 HD1 TRP 78 -2.437 -0.841 -13.965 567 HE1 TRP 78 HE1 TRP 78 -2.168 1.011 -15.735 568 HE3 TRP 78 HE3 TRP 78 -5.599 2.672 -11.987 569 HZ2 TRP 78 HZ2 TRP 78 -3.144 3.603 -16.230 570 HZ3 TRP 78 HZ3 TRP 78 -5.871 4.821 -13.169 571 HH2 TRP 78 HH2 TRP 78 -4.664 5.272 -15.251 572 H CYS 79 H CYS 79 -0.765 0.612 -11.028 573 HA CYS 79 HA CYS 79 0.472 2.508 -10.859 574 HB2 CYS 79 HB2 CYS 79 -1.124 3.242 -12.640 575 HB3 CYS 79 HB3 CYS 79 -2.153 3.955 -11.403 576 HG CYS 79 HG CYS 79 0.276 5.567 -10.606 577 H LEU 80 H LEU 80 -1.034 1.471 -8.415 578 HA LEU 80 HA LEU 80 -1.454 3.672 -6.658 579 HB2 LEU 80 HB2 LEU 80 -2.392 1.317 -6.261 580 HB3 LEU 80 HB3 LEU 80 -0.760 0.791 -5.885 581 HG LEU 80 HG LEU 80 -2.376 1.248 -3.915 582 HD11 LEU 80 HD11 LEU 80 0.342 2.582 -3.758 583 HD12 LEU 80 HD12 LEU 80 -0.002 0.878 -3.466 584 HD13 LEU 80 HD13 LEU 80 -0.662 2.100 -2.388 585 HD21 LEU 80 HD21 LEU 80 -2.601 3.538 -3.116 586 HD22 LEU 80 HD22 LEU 80 -3.288 3.373 -4.730 587 HD23 LEU 80 HD23 LEU 80 -1.713 4.145 -4.519 588 H CYS 81 H CYS 81 0.159 5.064 -6.147 589 HA CYS 81 HA CYS 81 2.922 4.625 -6.333 590 HB2 CYS 81 HB2 CYS 81 1.456 6.624 -4.558 591 HB3 CYS 81 HB3 CYS 81 3.154 6.722 -5.026 592 HG CYS 81 HG CYS 81 2.775 7.467 -7.583 593 H ALA 82 H ALA 82 4.146 3.247 -5.141 594 HA ALA 82 HA ALA 82 3.264 1.751 -2.963 595 HB1 ALA 82 HB1 ALA 82 5.094 1.033 -4.415 596 HB2 ALA 82 HB2 ALA 82 5.589 0.990 -2.721 597 HB3 ALA 82 HB3 ALA 82 6.122 2.309 -3.767 598 H SER 83 H SER 83 4.792 4.911 -2.940 599 HA SER 83 HA SER 83 5.585 5.131 -0.241 600 HB2 SER 83 HB2 SER 83 6.224 6.776 -1.958 601 HB3 SER 83 HB3 SER 83 4.550 7.297 -2.114 602 HG SER 83 HG SER 83 6.408 7.818 -0.106 603 H ARG 84 H ARG 84 2.377 5.496 -1.723 604 HA ARG 84 HA ARG 84 1.004 6.590 0.539 605 HB2 ARG 84 HB2 ARG 84 0.107 6.872 -1.724 606 HB3 ARG 84 HB3 ARG 84 -0.053 5.127 -1.915 607 HG2 ARG 84 HG2 ARG 84 -1.797 5.072 -0.179 608 HG3 ARG 84 HG3 ARG 84 -1.610 6.807 0.088 609 HD2 ARG 84 HD2 ARG 84 -2.521 5.534 -2.521 610 HD3 ARG 84 HD3 ARG 84 -3.594 6.240 -1.310 611 HE ARG 84 HE ARG 84 -2.090 8.328 -1.768 612 HH11 ARG 84 HH11 ARG 84 -3.270 6.140 -4.191 613 HH12 ARG 84 HH12 ARG 84 -3.340 7.374 -5.397 614 HH21 ARG 84 HH21 ARG 84 -2.199 9.857 -3.315 615 HH22 ARG 84 HH22 ARG 84 -2.759 9.454 -4.899 616 H TRP 85 H TRP 85 1.365 3.240 -0.684 617 HA TRP 85 HA TRP 85 -0.113 2.010 1.429 618 HB2 TRP 85 HB2 TRP 85 0.028 0.558 -0.365 619 HB3 TRP 85 HB3 TRP 85 1.686 1.015 -0.752 620 HD1 TRP 85 HD1 TRP 85 3.273 -0.877 -0.390 621 HE1 TRP 85 HE1 TRP 85 3.586 -2.766 1.323 622 HE3 TRP 85 HE3 TRP 85 -0.935 -0.201 2.434 623 HZ2 TRP 85 HZ2 TRP 85 2.246 -3.880 3.505 624 HZ3 TRP 85 HZ3 TRP 85 -1.353 -1.742 4.304 625 HH2 TRP 85 HH2 TRP 85 0.211 -3.548 4.828 626 H GLN 86 H GLN 86 3.435 2.251 0.939 627 HA GLN 86 HA GLN 86 4.473 1.385 3.290 628 HB2 GLN 86 HB2 GLN 86 5.723 2.253 1.303 629 HB3 GLN 86 HB3 GLN 86 5.368 3.892 1.798 630 HG2 GLN 86 HG2 GLN 86 7.691 2.957 2.288 631 HG3 GLN 86 HG3 GLN 86 6.872 3.797 3.619 632 HE21 GLN 86 HE21 GLN 86 6.143 2.539 5.376 633 HE22 GLN 86 HE22 GLN 86 6.706 0.935 5.653 634 H GLU 87 H GLU 87 2.984 4.552 2.703 635 HA GLU 87 HA GLU 87 3.313 5.868 5.154 636 HB2 GLU 87 HB2 GLU 87 2.507 7.001 3.149 637 HB3 GLU 87 HB3 GLU 87 1.063 6.010 3.112 638 HG2 GLU 87 HG2 GLU 87 0.469 8.203 3.882 639 HG3 GLU 87 HG3 GLU 87 0.300 7.069 5.225 640 H ALA 88 H ALA 88 0.785 3.548 4.159 641 HA ALA 88 HA ALA 88 -0.959 4.025 6.379 642 HB1 ALA 88 HB1 ALA 88 -0.902 1.700 4.430 643 HB2 ALA 88 HB2 ALA 88 -1.792 3.213 4.220 644 HB3 ALA 88 HB3 ALA 88 -2.231 2.110 5.525 645 H PHE 89 H PHE 89 1.544 1.603 5.664 646 HA PHE 89 HA PHE 89 1.084 -0.074 7.905 647 HB2 PHE 89 HB2 PHE 89 2.413 -0.771 5.910 648 HB3 PHE 89 HB3 PHE 89 3.697 0.332 6.395 649 HD1 PHE 89 HD2 PHE 89 1.916 -2.803 7.300 650 HD2 PHE 89 HD1 PHE 89 5.248 -0.270 8.205 651 HE1 PHE 89 HE2 PHE 89 2.861 -4.546 8.747 652 HE2 PHE 89 HE1 PHE 89 6.185 -2.026 9.653 653 HZ PHE 89 HZ PHE 89 4.992 -4.166 9.923 654 H GLU 90 H GLU 90 3.491 2.541 7.407 655 HA GLU 90 HA GLU 90 4.540 2.474 10.062 656 HB2 GLU 90 HB2 GLU 90 4.662 4.652 7.942 657 HB3 GLU 90 HB3 GLU 90 5.597 4.668 9.436 658 HG2 GLU 90 HG2 GLU 90 6.720 2.570 8.742 659 HG3 GLU 90 HG3 GLU 90 5.805 2.586 7.235 660 H ALA 91 H ALA 91 1.735 4.086 8.717 661 HA ALA 91 HA ALA 91 1.203 5.863 10.922 662 HB1 ALA 91 HB1 ALA 91 -1.047 6.083 9.933 663 HB2 ALA 91 HB2 ALA 91 -0.725 4.711 8.865 664 HB3 ALA 91 HB3 ALA 91 0.201 6.203 8.691 665 H GLY 92 H GLY 92 0.757 2.454 10.406 666 HA2 GLY 92 HA2 GLY 92 0.505 0.949 12.239 667 HA3 GLY 92 HA3 GLY 92 -0.434 2.152 13.100 668 H MET 93 H MET 93 -1.662 2.265 10.060 669 HA MET 93 HA MET 93 -4.000 0.673 10.765 670 HB2 MET 93 HB2 MET 93 -3.466 2.167 8.162 671 HB3 MET 93 HB3 MET 93 -5.017 1.566 8.736 672 HG2 MET 93 HG2 MET 93 -4.800 3.186 10.675 673 HG3 MET 93 HG3 MET 93 -3.407 3.873 9.839 674 HE1 MET 93 HE1 MET 93 -7.753 3.951 8.282 675 HE2 MET 93 HE2 MET 93 -7.282 3.400 9.887 676 HE3 MET 93 HE3 MET 93 -6.852 2.445 8.466 677 H ALA 94 H ALA 94 -2.130 0.821 7.735 678 HA ALA 94 HA ALA 94 -1.480 -0.641 6.179 679 HB1 ALA 94 HB1 ALA 94 -0.376 -2.697 6.912 680 HB2 ALA 94 HB2 ALA 94 -1.114 -2.535 8.509 681 HB3 ALA 94 HB3 ALA 94 0.050 -1.335 7.950 682 HA PRO 95 HA PRO 95 -5.453 -2.866 5.105 683 HB2 PRO 95 HB2 PRO 95 -4.085 -1.996 2.540 684 HB3 PRO 95 HB3 PRO 95 -5.812 -2.094 2.910 685 HG2 PRO 95 HG2 PRO 95 -4.651 0.270 2.943 686 HG3 PRO 95 HG3 PRO 95 -5.764 -0.158 4.267 687 HD2 PRO 95 HD2 PRO 95 -2.741 -0.139 4.257 688 HD3 PRO 95 HD3 PRO 95 -3.865 0.407 5.523 689 HA PRO 96 HA PRO 96 -3.200 -6.661 3.682 690 HB2 PRO 96 HB2 PRO 96 -5.259 -7.859 2.264 691 HB3 PRO 96 HB3 PRO 96 -5.084 -7.971 4.020 692 HG2 PRO 96 HG2 PRO 96 -6.846 -6.135 2.401 693 HG3 PRO 96 HG3 PRO 96 -7.234 -7.035 3.882 694 HD2 PRO 96 HD2 PRO 96 -6.636 -4.385 3.932 695 HD3 PRO 96 HD3 PRO 96 -6.176 -5.469 5.264 696 H VAL 97 H VAL 97 -1.702 -6.077 2.175 697 HA VAL 97 HA VAL 97 -2.471 -4.996 -0.450 698 HB VAL 97 HB VAL 97 -0.638 -3.879 0.834 699 HG11 VAL 97 HG11 VAL 97 0.925 -6.462 0.469 700 HG12 VAL 97 HG12 VAL 97 0.287 -5.840 1.994 701 HG13 VAL 97 HG13 VAL 97 1.556 -4.955 1.144 702 HG21 VAL 97 HG21 VAL 97 -0.599 -3.684 -1.641 703 HG22 VAL 97 HG22 VAL 97 0.404 -5.137 -1.746 704 HG23 VAL 97 HG23 VAL 97 1.039 -3.679 -0.974 705 H VAL 98 H VAL 98 -1.694 -5.981 -2.405 706 HA VAL 98 HA VAL 98 -1.541 -8.844 -2.515 707 HB VAL 98 HB VAL 98 -1.075 -8.519 -4.960 708 HG11 VAL 98 HG11 VAL 98 -3.382 -6.828 -3.917 709 HG12 VAL 98 HG12 VAL 98 -3.413 -8.573 -4.182 710 HG13 VAL 98 HG13 VAL 98 -3.233 -7.478 -5.553 711 HG21 VAL 98 HG21 VAL 98 0.279 -6.464 -4.857 712 HG22 VAL 98 HG22 VAL 98 -1.115 -5.543 -4.291 713 HG23 VAL 98 HG23 VAL 98 -1.107 -6.218 -5.922 714 H LEU 99 H LEU 99 0.277 -10.176 -2.840 715 HA LEU 99 HA LEU 99 2.965 -8.916 -2.902 716 HB2 LEU 99 HB2 LEU 99 2.552 -11.919 -2.651 717 HB3 LEU 99 HB3 LEU 99 3.923 -10.942 -2.163 718 HG LEU 99 HG LEU 99 2.210 -9.971 -0.358 719 HD11 LEU 99 HD11 LEU 99 0.205 -11.086 -1.220 720 HD12 LEU 99 HD12 LEU 99 0.565 -11.633 0.415 721 HD13 LEU 99 HD13 LEU 99 0.945 -12.669 -0.961 722 HD21 LEU 99 HD21 LEU 99 2.935 -11.692 1.255 723 HD22 LEU 99 HD22 LEU 99 4.268 -11.180 0.220 724 HD23 LEU 99 HD23 LEU 99 3.467 -12.727 -0.075 725 H GLN 100 H GLN 100 0.674 -10.794 -4.703 726 HA GLN 100 HA GLN 100 2.483 -11.924 -6.664 727 HB2 GLN 100 HB2 GLN 100 0.399 -12.879 -7.643 728 HB3 GLN 100 HB3 GLN 100 0.550 -13.206 -5.921 729 HG2 GLN 100 HG2 GLN 100 -1.064 -11.409 -5.422 730 HG3 GLN 100 HG3 GLN 100 -1.204 -11.046 -7.142 731 HE21 GLN 100 HE21 GLN 100 -3.434 -11.469 -7.111 732 HE22 GLN 100 HE22 GLN 100 -4.062 -13.072 -6.996 733 H SER 101 H SER 101 0.850 -8.904 -6.433 734 HA SER 101 HA SER 101 1.137 -8.422 -9.359 735 HB2 SER 101 HB2 SER 101 -1.243 -8.415 -8.651 736 HB3 SER 101 HB3 SER 101 -0.897 -7.136 -7.490 737 HG SER 101 HG SER 101 -0.035 -6.476 -9.990 738 H THR 102 H THR 102 1.780 -7.198 -6.124 739 HA THR 102 HA THR 102 2.868 -4.676 -6.780 740 HB THR 102 HB THR 102 3.674 -6.537 -4.494 741 HG1 THR 102 HG1 THR 102 2.106 -5.495 -3.356 742 HG21 THR 102 HG21 THR 102 5.366 -4.765 -4.823 743 HG22 THR 102 HG22 THR 102 4.438 -4.485 -3.349 744 HG23 THR 102 HG23 THR 102 4.094 -3.542 -4.799 745 H GLU 103 H GLU 103 4.360 -4.400 -8.314 746 HA GLU 103 HA GLU 103 6.319 -6.370 -9.092 747 HB2 GLU 103 HB2 GLU 103 4.970 -4.348 -10.442 748 HB3 GLU 103 HB3 GLU 103 6.532 -3.588 -10.206 749 HG2 GLU 103 HG2 GLU 103 6.143 -6.292 -11.528 750 HG3 GLU 103 HG3 GLU 103 6.206 -4.767 -12.406 751 H LYS 104 H LYS 104 8.673 -5.815 -9.303 752 HA LYS 104 HA LYS 104 9.838 -5.415 -6.798 753 HB2 LYS 104 HB2 LYS 104 11.015 -5.554 -9.582 754 HB3 LYS 104 HB3 LYS 104 12.052 -5.256 -8.196 755 HG2 LYS 104 HG2 LYS 104 12.145 -7.591 -8.712 756 HG3 LYS 104 HG3 LYS 104 11.294 -7.394 -7.179 757 HD2 LYS 104 HD2 LYS 104 9.125 -7.699 -8.378 758 HD3 LYS 104 HD3 LYS 104 10.006 -7.929 -9.891 759 HE2 LYS 104 HE2 LYS 104 11.078 -9.941 -8.967 760 HE3 LYS 104 HE3 LYS 104 10.241 -9.700 -7.432 761 HZ1 LYS 104 HZ1 LYS 104 8.140 -9.988 -8.592 762 HZ2 LYS 104 HZ2 LYS 104 9.136 -11.343 -8.797 763 HZ3 LYS 104 HZ3 LYS 104 8.958 -10.226 -10.050 764 H SER 105 H SER 105 9.143 -2.967 -9.230 765 HA SER 105 HA SER 105 10.942 -0.929 -8.478 766 HB2 SER 105 HB2 SER 105 8.061 -0.453 -9.295 767 HB3 SER 105 HB3 SER 105 9.434 0.629 -9.532 768 HG SER 105 HG SER 105 8.740 -1.733 -10.902 769 H ALA 106 H ALA 106 7.956 -2.011 -6.965 770 HA ALA 106 HA ALA 106 7.391 0.128 -5.234 771 HB1 ALA 106 HB1 ALA 106 6.846 -2.819 -4.795 772 HB2 ALA 106 HB2 ALA 106 5.822 -1.693 -5.691 773 HB3 ALA 106 HB3 ALA 106 6.057 -1.478 -3.956 774 H LEU 107 H LEU 107 9.629 -2.572 -4.856 775 HA LEU 107 HA LEU 107 10.146 -2.362 -2.067 776 HB2 LEU 107 HB2 LEU 107 11.590 -3.709 -4.361 777 HB3 LEU 107 HB3 LEU 107 12.309 -3.689 -2.761 778 HG LEU 107 HG LEU 107 10.328 -4.905 -1.853 779 HD11 LEU 107 HD11 LEU 107 8.599 -4.191 -3.430 780 HD12 LEU 107 HD12 LEU 107 8.685 -5.946 -3.320 781 HD13 LEU 107 HD13 LEU 107 9.372 -5.119 -4.722 782 HD21 LEU 107 HD21 LEU 107 11.687 -6.311 -4.177 783 HD22 LEU 107 HD22 LEU 107 10.858 -7.098 -2.831 784 HD23 LEU 107 HD23 LEU 107 12.319 -6.160 -2.534 785 H ARG 108 H ARG 108 10.797 -0.013 -4.193 786 HA ARG 108 HA ARG 108 13.360 0.875 -3.039 787 HB2 ARG 108 HB2 ARG 108 11.702 2.064 -5.308 788 HB3 ARG 108 HB3 ARG 108 13.314 2.590 -4.822 789 HG2 ARG 108 HG2 ARG 108 14.044 0.145 -5.370 790 HG3 ARG 108 HG3 ARG 108 12.492 0.020 -6.208 791 HD2 ARG 108 HD2 ARG 108 14.236 0.600 -7.796 792 HD3 ARG 108 HD3 ARG 108 13.142 1.978 -7.611 793 HE ARG 108 HE ARG 108 15.164 2.393 -5.790 794 HH11 ARG 108 HH11 ARG 108 15.056 2.033 -9.217 795 HH12 ARG 108 HH12 ARG 108 16.426 3.053 -9.462 796 HH21 ARG 108 HH21 ARG 108 16.923 3.646 -6.121 797 HH22 ARG 108 HH22 ARG 108 17.474 3.944 -7.729 798 H TYR 109 H TYR 109 9.952 1.483 -3.034 799 HA TYR 109 HA TYR 109 10.110 3.939 -1.417 800 HB2 TYR 109 HB2 TYR 109 7.627 2.467 -2.436 801 HB3 TYR 109 HB3 TYR 109 7.691 4.099 -1.785 802 HD1 TYR 109 HD1 TYR 109 9.035 2.047 -4.647 803 HD2 TYR 109 HD2 TYR 109 7.818 5.926 -3.309 804 HE1 TYR 109 HE1 TYR 109 9.320 2.915 -6.922 805 HE2 TYR 109 HE2 TYR 109 8.102 6.792 -5.593 806 HH TYR 109 HH TYR 109 9.317 6.257 -7.642 807 H VAL 110 H VAL 110 8.475 0.756 -1.371 808 HA VAL 110 HA VAL 110 8.492 0.614 1.546 809 HB VAL 110 HB VAL 110 7.303 -1.539 1.311 810 HG11 VAL 110 HG11 VAL 110 6.049 0.529 -0.495 811 HG12 VAL 110 HG12 VAL 110 5.913 0.438 1.276 812 HG13 VAL 110 HG13 VAL 110 5.234 -0.851 0.275 813 HG21 VAL 110 HG21 VAL 110 7.505 -1.157 -1.671 814 HG22 VAL 110 HG22 VAL 110 6.589 -2.415 -0.846 815 HG23 VAL 110 HG23 VAL 110 8.348 -2.383 -0.727 816 H SER 111 H SER 111 9.048 -1.746 2.329 817 HA SER 111 HA SER 111 11.246 -3.035 0.800 818 HB2 SER 111 HB2 SER 111 11.807 -2.493 3.146 819 HB3 SER 111 HB3 SER 111 10.403 -3.386 3.716 820 HG SER 111 HG SER 111 12.805 -4.335 2.594 821 H LEU 112 H LEU 112 10.997 -5.374 0.515 822 HA LEU 112 HA LEU 112 8.509 -6.473 -0.035 823 HB2 LEU 112 HB2 LEU 112 10.364 -7.624 -0.888 824 HB3 LEU 112 HB3 LEU 112 11.178 -7.651 0.649 825 HG LEU 112 HG LEU 112 8.681 -9.336 0.357 826 HD11 LEU 112 HD11 LEU 112 11.392 -10.197 -0.702 827 HD12 LEU 112 HD12 LEU 112 9.967 -9.850 -1.682 828 HD13 LEU 112 HD13 LEU 112 9.952 -11.215 -0.566 829 HD21 LEU 112 HD21 LEU 112 9.727 -9.255 2.567 830 HD22 LEU 112 HD22 LEU 112 11.289 -9.725 1.886 831 HD23 LEU 112 HD23 LEU 112 9.943 -10.868 1.880 832 H ALA 113 H ALA 113 10.291 -6.437 3.026 833 HA ALA 113 HA ALA 113 8.684 -8.126 4.598 834 HB1 ALA 113 HB1 ALA 113 10.908 -7.332 5.277 835 HB2 ALA 113 HB2 ALA 113 9.714 -6.989 6.531 836 HB3 ALA 113 HB3 ALA 113 10.285 -5.695 5.471 837 H ASP 114 H ASP 114 8.188 -4.744 3.661 838 HA ASP 114 HA ASP 114 6.175 -4.034 5.544 839 HB2 ASP 114 HB2 ASP 114 7.624 -2.528 3.960 840 HB3 ASP 114 HB3 ASP 114 6.421 -2.886 2.728 841 H LEU 115 H LEU 115 6.149 -5.530 2.366 842 HA LEU 115 HA LEU 115 3.336 -5.460 1.854 843 HB2 LEU 115 HB2 LEU 115 5.383 -7.361 0.635 844 HB3 LEU 115 HB3 LEU 115 3.869 -6.812 -0.082 845 HG LEU 115 HG LEU 115 6.307 -5.047 0.432 846 HD11 LEU 115 HD11 LEU 115 5.302 -6.186 -2.175 847 HD12 LEU 115 HD12 LEU 115 6.800 -6.617 -1.335 848 HD13 LEU 115 HD13 LEU 115 6.593 -4.988 -1.987 849 HD21 LEU 115 HD21 LEU 115 5.177 -3.367 -0.904 850 HD22 LEU 115 HD22 LEU 115 4.225 -3.785 0.514 851 HD23 LEU 115 HD23 LEU 115 3.760 -4.409 -1.071 852 H GLN 116 H GLN 116 5.610 -8.021 2.810 853 HA GLN 116 HA GLN 116 3.701 -10.138 2.925 854 HB2 GLN 116 HB2 GLN 116 6.483 -10.058 4.161 855 HB3 GLN 116 HB3 GLN 116 5.549 -11.495 3.765 856 HG2 GLN 116 HG2 GLN 116 5.624 -10.459 1.314 857 HG3 GLN 116 HG3 GLN 116 7.024 -9.618 1.952 858 HE21 GLN 116 HE21 GLN 116 6.910 -11.681 -0.152 859 HE22 GLN 116 HE22 GLN 116 7.963 -12.941 0.376 860 H ALA 117 H ALA 117 4.917 -7.873 5.262 861 HA ALA 117 HA ALA 117 4.343 -8.969 7.721 862 HB1 ALA 117 HB1 ALA 117 5.396 -6.776 7.430 863 HB2 ALA 117 HB2 ALA 117 4.037 -6.672 8.549 864 HB3 ALA 117 HB3 ALA 117 3.864 -6.092 6.889 865 H HIS 118 H HIS 118 1.948 -7.088 5.738 866 HA HIS 118 HA HIS 118 -0.185 -7.955 7.597 867 HB2 HIS 118 HB2 HIS 118 0.204 -5.442 6.932 868 HB3 HIS 118 HB3 HIS 118 -0.623 -5.859 5.440 869 HD1 HIS 118 HD1 HIS 118 -3.144 -6.543 5.646 870 HD2 HIS 118 HD2 HIS 118 -1.430 -5.316 9.220 871 HE1 HIS 118 HE1 HIS 118 -5.062 -6.237 7.228 872 HE2 HIS 118 HE2 HIS 118 -4.012 -5.392 9.343 873 H ALA 119 H ALA 119 0.995 -8.704 4.459 874 HA ALA 119 HA ALA 119 -1.588 -9.658 3.442 875 HB1 ALA 119 HB1 ALA 119 -0.041 -8.524 1.913 876 HB2 ALA 119 HB2 ALA 119 -0.351 -10.183 1.398 877 HB3 ALA 119 HB3 ALA 119 1.171 -9.778 2.196 878 H LEU 120 H LEU 120 1.363 -11.581 2.892 879 HA LEU 120 HA LEU 120 0.529 -13.668 4.780 880 HB2 LEU 120 HB2 LEU 120 0.849 -14.052 1.797 881 HB3 LEU 120 HB3 LEU 120 1.091 -15.391 2.896 882 HG LEU 120 HG LEU 120 -1.501 -13.907 2.357 883 HD11 LEU 120 HD11 LEU 120 -0.870 -15.591 0.707 884 HD12 LEU 120 HD12 LEU 120 -2.260 -16.142 1.640 885 HD13 LEU 120 HD13 LEU 120 -0.651 -16.798 1.981 886 HD21 LEU 120 HD21 LEU 120 -1.430 -14.319 4.765 887 HD22 LEU 120 HD22 LEU 120 -0.962 -15.999 4.503 888 HD23 LEU 120 HD23 LEU 120 -2.563 -15.440 4.011 889 HA PRO 121 HA PRO 121 4.990 -14.691 5.300 890 HB2 PRO 121 HB2 PRO 121 3.886 -17.507 5.149 891 HB3 PRO 121 HB3 PRO 121 4.989 -16.799 6.332 892 HG2 PRO 121 HG2 PRO 121 2.452 -17.196 6.987 893 HG3 PRO 121 HG3 PRO 121 3.253 -15.686 7.472 894 HD2 PRO 121 HD2 PRO 121 1.336 -16.168 5.197 895 HD3 PRO 121 HD3 PRO 121 1.412 -14.805 6.329 896 H VAL 122 H VAL 122 6.637 -15.120 3.838 897 HA VAL 122 HA VAL 122 6.082 -16.095 1.167 898 HB VAL 122 HB VAL 122 7.843 -14.414 1.473 899 HG11 VAL 122 HG11 VAL 122 8.649 -14.983 3.725 900 HG12 VAL 122 HG12 VAL 122 9.998 -14.893 2.592 901 HG13 VAL 122 HG13 VAL 122 9.385 -16.465 3.108 902 HG21 VAL 122 HG21 VAL 122 9.019 -17.057 0.525 903 HG22 VAL 122 HG22 VAL 122 9.666 -15.457 0.157 904 HG23 VAL 122 HG23 VAL 122 8.078 -15.926 -0.452 905 H LEU 123 H LEU 123 6.082 -18.216 0.530 906 HA LEU 123 HA LEU 123 6.810 -20.358 2.323 907 HB2 LEU 123 HB2 LEU 123 5.005 -20.320 0.382 908 HB3 LEU 123 HB3 LEU 123 6.357 -20.757 -0.640 909 HG LEU 123 HG LEU 123 5.329 -22.394 1.723 910 HD11 LEU 123 HD11 LEU 123 4.557 -24.018 0.043 911 HD12 LEU 123 HD12 LEU 123 5.041 -22.916 -1.249 912 HD13 LEU 123 HD13 LEU 123 3.755 -22.458 -0.132 913 HD21 LEU 123 HD21 LEU 123 6.836 -24.195 0.950 914 HD22 LEU 123 HD22 LEU 123 7.736 -22.766 1.445 915 HD23 LEU 123 HD23 LEU 123 7.510 -23.110 -0.272 916 H GLU 124 H GLU 124 8.925 -20.542 2.772 917 HA GLU 124 HA GLU 124 10.907 -20.995 0.691 918 HB2 GLU 124 HB2 GLU 124 10.937 -18.523 1.071 919 HB3 GLU 124 HB3 GLU 124 11.256 -18.796 2.784 920 HG2 GLU 124 HG2 GLU 124 13.388 -19.914 2.182 921 HG3 GLU 124 HG3 GLU 124 13.053 -19.587 0.487 922 H HIS 125 H HIS 125 12.557 -22.362 1.362 923 HA HIS 125 HA HIS 125 12.407 -23.711 3.898 924 HB2 HIS 125 HB2 HIS 125 14.583 -23.803 1.755 925 HB3 HIS 125 HB3 HIS 125 14.453 -24.911 3.120 926 HD1 HIS 125 HD1 HIS 125 13.513 -24.590 -0.328 927 HD2 HIS 125 HD2 HIS 125 11.845 -26.404 3.017 928 HE1 HIS 125 HE1 HIS 125 11.838 -26.222 -1.221 929 HE2 HIS 125 HE2 HIS 125 10.703 -27.153 0.817 930 H HIS 126 H HIS 126 13.263 -23.036 5.795 931 HA HIS 126 HA HIS 126 14.388 -20.421 5.934 932 HB2 HIS 126 HB2 HIS 126 14.234 -20.605 8.337 933 HB3 HIS 126 HB3 HIS 126 12.797 -21.329 7.635 934 HD1 HIS 126 HD1 HIS 126 15.903 -22.176 9.558 935 HD2 HIS 126 HD2 HIS 126 12.464 -24.071 8.200 936 HE1 HIS 126 HE1 HIS 126 15.858 -24.396 10.719 937 HE2 HIS 126 HE2 HIS 126 13.866 -25.583 9.760 938 H HIS 127 H HIS 127 15.860 -23.657 6.256 939 HA HIS 127 HA HIS 127 18.367 -22.561 7.269 940 HB2 HIS 127 HB2 HIS 127 17.587 -24.751 8.101 941 HB3 HIS 127 HB3 HIS 127 17.690 -25.419 6.474 942 HD1 HIS 127 HD1 HIS 127 20.073 -23.656 8.889 943 HD2 HIS 127 HD2 HIS 127 20.045 -26.739 6.104 944 HE1 HIS 127 HE1 HIS 127 22.399 -24.596 8.909 945 HE2 HIS 127 HE2 HIS 127 22.280 -26.595 7.390 946 H HIS 128 H HIS 128 19.107 -21.215 5.656 947 HA HIS 128 HA HIS 128 19.921 -22.295 3.053 948 HB2 HIS 128 HB2 HIS 128 20.317 -19.531 4.295 949 HB3 HIS 128 HB3 HIS 128 20.784 -19.971 2.656 950 HD1 HIS 128 HD1 HIS 128 19.018 -19.753 0.873 951 HD2 HIS 128 HD2 HIS 128 17.419 -19.517 4.702 952 HE1 HIS 128 HE1 HIS 128 16.626 -19.063 0.561 953 HE2 HIS 128 HE2 HIS 128 15.646 -19.065 2.872 954 H HIS 129 H HIS 129 21.916 -23.135 2.698 955 HA HIS 129 HA HIS 129 24.181 -22.584 4.521 956 HB2 HIS 129 HB2 HIS 129 24.683 -24.977 4.775 957 HB3 HIS 129 HB3 HIS 129 23.052 -24.652 5.355 958 HD1 HIS 129 HD1 HIS 129 24.931 -26.501 2.700 959 HD2 HIS 129 HD2 HIS 129 20.984 -25.810 3.800 960 HE1 HIS 129 HE1 HIS 129 23.572 -28.135 1.374 961 HE2 HIS 129 HE2 HIS 129 21.185 -27.555 1.900 962 H HIS 130 H HIS 130 26.174 -23.968 3.598 963 HA HIS 130 HA HIS 130 26.773 -23.041 0.970 964 HB2 HIS 130 HB2 HIS 130 28.525 -23.270 2.687 965 HB3 HIS 130 HB3 HIS 130 28.280 -25.011 2.743 966 HD1 HIS 130 HD1 HIS 130 29.224 -22.412 0.112 967 HD2 HIS 130 HD2 HIS 130 30.090 -26.332 1.181 968 HE1 HIS 130 HE1 HIS 130 30.974 -23.175 -1.504 969 HE2 HIS 130 HE2 HIS 130 31.573 -25.497 -0.766
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