NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26305 | 2khq | 16251 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 6.411 7.597 15.715 2 H2 MET 1 H2 MET 1 5.001 6.825 16.259 3 H3 MET 1 H3 MET 1 5.128 8.515 16.336 4 HA MET 1 HA MET 1 3.716 7.794 14.514 5 HB2 MET 1 HB2 MET 1 5.109 9.895 14.446 6 HB3 MET 1 HB3 MET 1 6.316 8.993 13.539 7 HG2 MET 1 HG2 MET 1 4.864 8.725 11.699 8 HG3 MET 1 HG3 MET 1 3.472 9.289 12.623 9 HE1 MET 1 HE1 MET 1 4.311 13.084 13.109 10 HE2 MET 1 HE2 MET 1 4.718 11.756 14.198 11 HE3 MET 1 HE3 MET 1 3.140 11.800 13.412 12 H ILE 2 H ILE 2 3.285 6.234 13.106 13 HA ILE 2 HA ILE 2 5.265 4.134 12.800 14 HB ILE 2 HB ILE 2 2.937 3.638 13.509 15 HG12 ILE 2 HG12 ILE 2 3.671 2.361 10.869 16 HG13 ILE 2 HG13 ILE 2 4.355 1.914 12.429 17 HG21 ILE 2 HG21 ILE 2 2.196 4.371 10.681 18 HG22 ILE 2 HG22 ILE 2 1.790 5.296 12.126 19 HG23 ILE 2 HG23 ILE 2 1.123 3.679 11.898 20 HD11 ILE 2 HD11 ILE 2 2.612 0.368 11.744 21 HD12 ILE 2 HD12 ILE 2 1.458 1.698 11.647 22 HD13 ILE 2 HD13 ILE 2 2.147 1.240 13.205 23 H THR 3 H THR 3 5.962 3.270 10.851 24 HA THR 3 HA THR 3 6.219 5.146 8.692 25 HB THR 3 HB THR 3 7.545 3.333 7.606 26 HG1 THR 3 HG1 THR 3 8.013 1.543 9.226 27 HG21 THR 3 HG21 THR 3 8.637 4.933 9.094 28 HG22 THR 3 HG22 THR 3 9.379 3.339 9.234 29 HG23 THR 3 HG23 THR 3 8.269 3.907 10.481 30 H PHE 4 H PHE 4 5.766 4.530 6.418 31 HA PHE 4 HA PHE 4 3.039 3.924 6.091 32 HB2 PHE 4 HB2 PHE 4 4.242 5.318 4.494 33 HB3 PHE 4 HB3 PHE 4 5.273 3.964 4.047 34 HD1 PHE 4 HD1 PHE 4 1.591 3.944 4.547 35 HD2 PHE 4 HD2 PHE 4 4.814 3.716 1.781 36 HE1 PHE 4 HE1 PHE 4 0.009 3.339 2.763 37 HE2 PHE 4 HE2 PHE 4 3.239 3.114 -0.010 38 HZ PHE 4 HZ PHE 4 0.833 2.925 0.480 39 H ALA 5 H ALA 5 5.936 1.951 5.674 40 HA ALA 5 HA ALA 5 4.741 -0.295 4.500 41 HB1 ALA 5 HB1 ALA 5 7.159 0.062 4.560 42 HB2 ALA 5 HB2 ALA 5 6.727 -1.514 5.223 43 HB3 ALA 5 HB3 ALA 5 7.154 -0.189 6.306 44 H ASP 6 H ASP 6 5.581 0.263 7.925 45 HA ASP 6 HA ASP 6 4.421 -2.169 8.797 46 HB2 ASP 6 HB2 ASP 6 6.189 -0.878 10.034 47 HB3 ASP 6 HB3 ASP 6 4.944 0.284 10.484 48 H TYR 7 H TYR 7 3.219 1.119 8.484 49 HA TYR 7 HA TYR 7 0.795 0.747 9.876 50 HB2 TYR 7 HB2 TYR 7 1.612 2.988 9.322 51 HB3 TYR 7 HB3 TYR 7 1.410 2.652 7.604 52 HD1 TYR 7 HD2 TYR 7 -0.362 3.252 10.776 53 HD2 TYR 7 HD1 TYR 7 -0.757 2.775 6.568 54 HE1 TYR 7 HE2 TYR 7 -2.680 4.055 10.908 55 HE2 TYR 7 HE1 TYR 7 -3.077 3.574 6.689 56 HH TYR 7 HH TYR 7 -4.875 3.766 8.303 57 H PHE 8 H PHE 8 1.671 0.318 6.471 58 HA PHE 8 HA PHE 8 -0.877 -0.181 5.461 59 HB2 PHE 8 HB2 PHE 8 1.140 0.132 4.055 60 HB3 PHE 8 HB3 PHE 8 1.723 -1.451 4.567 61 HD1 PHE 8 HD2 PHE 8 -1.010 0.266 2.752 62 HD2 PHE 8 HD1 PHE 8 1.021 -3.405 3.474 63 HE1 PHE 8 HE2 PHE 8 -2.243 -0.776 0.897 64 HE2 PHE 8 HE1 PHE 8 -0.211 -4.454 1.619 65 HZ PHE 8 HZ PHE 8 -1.844 -3.138 0.328 66 H TYR 9 H TYR 9 1.492 -2.434 6.842 67 HA TYR 9 HA TYR 9 -0.124 -4.741 6.490 68 HB2 TYR 9 HB2 TYR 9 2.363 -4.747 6.888 69 HB3 TYR 9 HB3 TYR 9 2.031 -4.352 8.572 70 HD1 TYR 9 HD1 TYR 9 1.820 -6.939 5.992 71 HD2 TYR 9 HD2 TYR 9 1.102 -6.005 10.080 72 HE1 TYR 9 HE1 TYR 9 1.550 -9.331 6.486 73 HE2 TYR 9 HE2 TYR 9 0.821 -8.392 10.586 74 HH TYR 9 HH TYR 9 0.323 -10.475 9.493 75 H GLN 10 H GLN 10 0.357 -2.510 9.194 76 HA GLN 10 HA GLN 10 -1.216 -3.889 11.086 77 HB2 GLN 10 HB2 GLN 10 0.375 -2.104 11.676 78 HB3 GLN 10 HB3 GLN 10 -0.640 -0.925 10.860 79 HG2 GLN 10 HG2 GLN 10 -2.442 -1.408 12.468 80 HG3 GLN 10 HG3 GLN 10 -1.359 -2.515 13.311 81 HE21 GLN 10 HE21 GLN 10 -2.073 0.811 12.582 82 HE22 GLN 10 HE22 GLN 10 -1.013 1.504 13.776 83 H TRP 11 H TRP 11 -1.986 -1.144 8.975 84 HA TRP 11 HA TRP 11 -4.662 -0.777 9.577 85 HB2 TRP 11 HB2 TRP 11 -3.540 0.798 8.185 86 HB3 TRP 11 HB3 TRP 11 -3.104 -0.437 7.012 87 HD1 TRP 11 HD1 TRP 11 -6.183 1.554 8.213 88 HE1 TRP 11 HE1 TRP 11 -7.890 1.627 6.287 89 HE3 TRP 11 HE3 TRP 11 -3.804 -1.528 4.899 90 HZ2 TRP 11 HZ2 TRP 11 -8.184 0.529 3.703 91 HZ3 TRP 11 HZ3 TRP 11 -4.861 -1.959 2.720 92 HH2 TRP 11 HH2 TRP 11 -7.005 -0.952 2.136 93 H TYR 12 H TYR 12 -3.195 -2.969 7.224 94 HA TYR 12 HA TYR 12 -5.571 -4.045 6.200 95 HB2 TYR 12 HB2 TYR 12 -3.499 -4.378 5.033 96 HB3 TYR 12 HB3 TYR 12 -2.785 -5.190 6.422 97 HD1 TYR 12 HD2 TYR 12 -6.030 -5.639 4.619 98 HD2 TYR 12 HD1 TYR 12 -2.371 -7.389 5.895 99 HE1 TYR 12 HE2 TYR 12 -6.764 -7.798 3.725 100 HE2 TYR 12 HE1 TYR 12 -3.094 -9.563 5.003 101 HH TYR 12 HH TYR 12 -5.802 -9.880 2.953 102 H GLU 13 H GLU 13 -3.384 -5.376 8.692 103 HA GLU 13 HA GLU 13 -4.871 -7.702 9.157 104 HB2 GLU 13 HB2 GLU 13 -2.488 -7.290 9.826 105 HB3 GLU 13 HB3 GLU 13 -3.088 -6.300 11.151 106 HG2 GLU 13 HG2 GLU 13 -4.367 -8.308 11.935 107 HG3 GLU 13 HG3 GLU 13 -3.493 -9.246 10.729 108 H VAL 14 H VAL 14 -5.130 -4.497 10.569 109 HA VAL 14 HA VAL 14 -6.904 -5.369 12.666 110 HB VAL 14 HB VAL 14 -6.124 -2.588 11.770 111 HG11 VAL 14 HG11 VAL 14 -8.289 -2.545 12.885 112 HG12 VAL 14 HG12 VAL 14 -7.045 -1.821 13.905 113 HG13 VAL 14 HG13 VAL 14 -7.622 -3.454 14.241 114 HG21 VAL 14 HG21 VAL 14 -4.724 -2.593 13.782 115 HG22 VAL 14 HG22 VAL 14 -4.261 -3.876 12.664 116 HG23 VAL 14 HG23 VAL 14 -5.201 -4.260 14.106 117 H ASN 15 H ASN 15 -7.281 -4.117 9.412 118 HA ASN 15 HA ASN 15 -10.097 -3.492 10.036 119 HB2 ASN 15 HB2 ASN 15 -8.215 -2.237 8.048 120 HB3 ASN 15 HB3 ASN 15 -9.957 -2.003 7.968 121 HD21 ASN 15 HD21 ASN 15 -7.794 -0.105 8.430 122 HD22 ASN 15 HD22 ASN 15 -8.156 0.678 9.927 123 H LYS 16 H LYS 16 -8.076 -4.595 7.297 124 HA LYS 16 HA LYS 16 -10.495 -5.403 5.898 125 HB2 LYS 16 HB2 LYS 16 -7.607 -5.553 5.022 126 HB3 LYS 16 HB3 LYS 16 -9.010 -5.841 4.002 127 HG2 LYS 16 HG2 LYS 16 -8.351 -3.235 5.354 128 HG3 LYS 16 HG3 LYS 16 -8.030 -3.623 3.663 129 HD2 LYS 16 HD2 LYS 16 -10.374 -3.811 3.196 130 HD3 LYS 16 HD3 LYS 16 -10.774 -3.671 4.910 131 HE2 LYS 16 HE2 LYS 16 -9.927 -1.398 4.946 132 HE3 LYS 16 HE3 LYS 16 -9.446 -1.530 3.254 133 HZ1 LYS 16 HZ1 LYS 16 -11.669 -1.577 2.558 134 HZ2 LYS 16 HZ2 LYS 16 -11.621 -0.363 3.745 135 HZ3 LYS 16 HZ3 LYS 16 -12.257 -1.894 4.121 136 H LEU 17 H LEU 17 -7.994 -6.843 7.759 137 HA LEU 17 HA LEU 17 -7.655 -9.318 6.605 138 HB2 LEU 17 HB2 LEU 17 -6.395 -8.367 8.551 139 HB3 LEU 17 HB3 LEU 17 -7.736 -8.843 9.577 140 HG LEU 17 HG LEU 17 -7.353 -11.218 8.775 141 HD11 LEU 17 HD11 LEU 17 -6.083 -10.671 6.771 142 HD12 LEU 17 HD12 LEU 17 -5.156 -11.720 7.844 143 HD13 LEU 17 HD13 LEU 17 -4.793 -9.996 7.765 144 HD21 LEU 17 HD21 LEU 17 -5.135 -9.851 10.295 145 HD22 LEU 17 HD22 LEU 17 -5.467 -11.583 10.293 146 HD23 LEU 17 HD23 LEU 17 -6.642 -10.460 10.978 147 HA PRO 18 HA PRO 18 -11.190 -11.238 9.320 148 HB2 PRO 18 HB2 PRO 18 -13.189 -9.546 10.108 149 HB3 PRO 18 HB3 PRO 18 -11.806 -9.977 11.118 150 HG2 PRO 18 HG2 PRO 18 -12.246 -7.537 9.447 151 HG3 PRO 18 HG3 PRO 18 -11.573 -7.667 11.083 152 HD2 PRO 18 HD2 PRO 18 -10.000 -7.343 8.926 153 HD3 PRO 18 HD3 PRO 18 -9.496 -8.335 10.310 154 H HIS 19 H HIS 19 -11.514 -8.974 6.790 155 HA HIS 19 HA HIS 19 -14.128 -10.072 6.008 156 HB2 HIS 19 HB2 HIS 19 -12.696 -7.650 4.899 157 HB3 HIS 19 HB3 HIS 19 -14.331 -8.166 4.503 158 HD2 HIS 19 HD2 HIS 19 -12.460 -6.028 7.035 159 HE1 HIS 19 HE1 HIS 19 -16.456 -6.384 8.381 160 HE2 HIS 19 HE2 HIS 19 -14.218 -5.256 8.779 161 H VAL 20 H VAL 20 -10.856 -10.423 5.384 162 HA VAL 20 HA VAL 20 -11.381 -11.301 2.623 163 HB VAL 20 HB VAL 20 -9.039 -10.812 2.096 164 HG11 VAL 20 HG11 VAL 20 -9.189 -8.357 2.170 165 HG12 VAL 20 HG12 VAL 20 -10.528 -8.487 3.312 166 HG13 VAL 20 HG13 VAL 20 -10.707 -9.102 1.668 167 HG21 VAL 20 HG21 VAL 20 -7.629 -9.589 3.654 168 HG22 VAL 20 HG22 VAL 20 -8.108 -11.143 4.339 169 HG23 VAL 20 HG23 VAL 20 -8.897 -9.660 4.878 170 H SER 21 H SER 21 -9.348 -12.773 1.955 171 HA SER 21 HA SER 21 -9.184 -14.889 4.001 172 HB2 SER 21 HB2 SER 21 -9.274 -15.299 1.006 173 HB3 SER 21 HB3 SER 21 -9.386 -16.535 2.261 174 HG SER 21 HG SER 21 -11.255 -14.535 2.493 175 H GLU 22 H GLU 22 -7.338 -16.512 3.267 176 HA GLU 22 HA GLU 22 -4.895 -15.117 3.411 177 HB2 GLU 22 HB2 GLU 22 -3.827 -17.293 3.107 178 HB3 GLU 22 HB3 GLU 22 -5.164 -17.405 4.242 179 HG2 GLU 22 HG2 GLU 22 -6.575 -18.370 2.524 180 HG3 GLU 22 HG3 GLU 22 -5.274 -18.206 1.345 181 H SER 23 H SER 23 -6.731 -16.360 0.705 182 HA SER 23 HA SER 23 -4.844 -16.085 -1.337 183 HB2 SER 23 HB2 SER 23 -7.774 -15.425 -1.639 184 HB3 SER 23 HB3 SER 23 -6.691 -16.156 -2.825 185 HG SER 23 HG SER 23 -7.071 -18.052 -1.991 186 H THR 24 H THR 24 -6.868 -13.773 0.329 187 HA THR 24 HA THR 24 -6.196 -11.565 -1.382 188 HB THR 24 HB THR 24 -7.296 -11.266 1.395 189 HG1 THR 24 HG1 THR 24 -9.291 -11.553 -0.401 190 HG21 THR 24 HG21 THR 24 -8.602 -9.472 0.310 191 HG22 THR 24 HG22 THR 24 -7.817 -9.851 -1.224 192 HG23 THR 24 HG23 THR 24 -6.864 -9.239 0.129 193 H LYS 25 H LYS 25 -5.094 -12.936 1.652 194 HA LYS 25 HA LYS 25 -3.600 -10.819 2.661 195 HB2 LYS 25 HB2 LYS 25 -3.067 -13.786 2.879 196 HB3 LYS 25 HB3 LYS 25 -2.245 -12.558 3.831 197 HG2 LYS 25 HG2 LYS 25 -4.445 -11.870 4.742 198 HG3 LYS 25 HG3 LYS 25 -5.180 -13.217 3.873 199 HD2 LYS 25 HD2 LYS 25 -4.843 -13.960 6.095 200 HD3 LYS 25 HD3 LYS 25 -3.594 -14.732 5.120 201 HE2 LYS 25 HE2 LYS 25 -3.082 -12.163 6.587 202 HE3 LYS 25 HE3 LYS 25 -2.932 -13.722 7.388 203 HZ1 LYS 25 HZ1 LYS 25 -0.797 -13.098 6.619 204 HZ2 LYS 25 HZ2 LYS 25 -1.364 -12.738 5.066 205 HZ3 LYS 25 HZ3 LYS 25 -1.324 -14.341 5.599 206 H ARG 26 H ARG 26 -2.599 -13.397 0.430 207 HA ARG 26 HA ARG 26 0.101 -12.626 0.338 208 HB2 ARG 26 HB2 ARG 26 0.317 -14.052 -1.607 209 HB3 ARG 26 HB3 ARG 26 -0.660 -14.840 -0.382 210 HG2 ARG 26 HG2 ARG 26 -2.686 -14.207 -1.642 211 HG3 ARG 26 HG3 ARG 26 -1.650 -13.521 -2.898 212 HD2 ARG 26 HD2 ARG 26 -0.575 -15.742 -3.149 213 HD3 ARG 26 HD3 ARG 26 -1.728 -16.394 -1.988 214 HE ARG 26 HE ARG 26 -2.627 -15.154 -4.511 215 HH11 ARG 26 HH11 ARG 26 -2.565 -17.842 -2.259 216 HH12 ARG 26 HH12 ARG 26 -3.718 -18.788 -3.152 217 HH21 ARG 26 HH21 ARG 26 -4.136 -16.388 -5.691 218 HH22 ARG 26 HH22 ARG 26 -4.604 -17.965 -5.126 219 H HIS 27 H HIS 27 -2.699 -11.449 -1.424 220 HA HIS 27 HA HIS 27 -1.272 -9.946 -3.356 221 HB2 HIS 27 HB2 HIS 27 -4.045 -9.766 -2.225 222 HB3 HIS 27 HB3 HIS 27 -3.435 -8.471 -3.246 223 HD2 HIS 27 HD2 HIS 27 -4.950 -11.966 -3.524 224 HE1 HIS 27 HE1 HIS 27 -3.679 -10.785 -7.385 225 HE2 HIS 27 HE2 HIS 27 -5.145 -12.388 -6.088 226 H TYR 28 H TYR 28 -2.673 -9.032 -0.219 227 HA TYR 28 HA TYR 28 -1.717 -6.385 -0.207 228 HB2 TYR 28 HB2 TYR 28 -2.609 -8.258 1.964 229 HB3 TYR 28 HB3 TYR 28 -1.982 -6.662 2.352 230 HD1 TYR 28 HD1 TYR 28 -4.656 -8.436 0.493 231 HD2 TYR 28 HD2 TYR 28 -3.356 -4.764 2.202 232 HE1 TYR 28 HE1 TYR 28 -6.904 -7.498 0.175 233 HE2 TYR 28 HE2 TYR 28 -5.600 -3.813 1.882 234 HH TYR 28 HH TYR 28 -8.297 -5.789 0.845 235 H GLU 29 H GLU 29 -0.352 -9.380 1.116 236 HA GLU 29 HA GLU 29 1.798 -8.100 2.439 237 HB2 GLU 29 HB2 GLU 29 1.403 -10.969 1.601 238 HB3 GLU 29 HB3 GLU 29 2.765 -10.414 2.570 239 HG2 GLU 29 HG2 GLU 29 1.238 -9.641 4.299 240 HG3 GLU 29 HG3 GLU 29 -0.138 -10.156 3.327 241 H SER 30 H SER 30 1.506 -9.499 -0.812 242 HA SER 30 HA SER 30 4.251 -9.211 -1.468 243 HB2 SER 30 HB2 SER 30 1.846 -9.176 -3.308 244 HB3 SER 30 HB3 SER 30 3.523 -9.381 -3.817 245 HG SER 30 HG SER 30 1.840 -11.143 -2.409 246 H ALA 31 H ALA 31 1.445 -7.096 -1.797 247 HA ALA 31 HA ALA 31 2.742 -4.907 -2.999 248 HB1 ALA 31 HB1 ALA 31 0.392 -4.909 -1.103 249 HB2 ALA 31 HB2 ALA 31 0.300 -5.128 -2.849 250 HB3 ALA 31 HB3 ALA 31 0.852 -3.592 -2.182 251 H TYR 32 H TYR 32 2.120 -5.730 0.376 252 HA TYR 32 HA TYR 32 3.340 -3.588 1.645 253 HB2 TYR 32 HB2 TYR 32 2.066 -4.995 3.003 254 HB3 TYR 32 HB3 TYR 32 2.833 -6.450 2.386 255 HD1 TYR 32 HD1 TYR 32 3.752 -3.370 4.317 256 HD2 TYR 32 HD2 TYR 32 4.278 -7.558 3.775 257 HE1 TYR 32 HE1 TYR 32 5.221 -3.439 6.286 258 HE2 TYR 32 HE2 TYR 32 5.746 -7.634 5.743 259 HH TYR 32 HH TYR 32 6.085 -4.959 7.900 260 H LYS 33 H LYS 33 4.787 -6.558 0.375 261 HA LYS 33 HA LYS 33 7.378 -6.206 1.400 262 HB2 LYS 33 HB2 LYS 33 6.393 -7.589 -1.091 263 HB3 LYS 33 HB3 LYS 33 8.077 -7.626 -0.574 264 HG2 LYS 33 HG2 LYS 33 7.506 -8.711 1.448 265 HG3 LYS 33 HG3 LYS 33 5.785 -8.511 1.128 266 HD2 LYS 33 HD2 LYS 33 6.035 -9.945 -0.875 267 HD3 LYS 33 HD3 LYS 33 7.725 -10.209 -0.433 268 HE2 LYS 33 HE2 LYS 33 7.036 -11.216 1.669 269 HE3 LYS 33 HE3 LYS 33 5.344 -10.910 1.280 270 HZ1 LYS 33 HZ1 LYS 33 7.193 -12.719 -0.173 271 HZ2 LYS 33 HZ2 LYS 33 5.612 -12.366 -0.669 272 HZ3 LYS 33 HZ3 LYS 33 5.877 -13.176 0.797 273 H HIS 34 H HIS 34 5.917 -5.100 -1.629 274 HA HIS 34 HA HIS 34 8.326 -3.892 -2.508 275 HB2 HIS 34 HB2 HIS 34 5.465 -3.646 -3.402 276 HB3 HIS 34 HB3 HIS 34 6.708 -2.595 -4.071 277 HD1 HIS 34 HD1 HIS 34 8.050 -3.543 -5.999 278 HD2 HIS 34 HD2 HIS 34 5.976 -6.462 -3.887 279 HE1 HIS 34 HE1 HIS 34 8.308 -5.685 -7.310 280 H ILE 35 H ILE 35 5.561 -2.825 -0.659 281 HA ILE 35 HA ILE 35 6.167 -0.072 -0.597 282 HB ILE 35 HB ILE 35 4.632 -1.806 1.343 283 HG12 ILE 35 HG12 ILE 35 3.742 0.218 -0.724 284 HG13 ILE 35 HG13 ILE 35 3.666 -1.530 -0.912 285 HG21 ILE 35 HG21 ILE 35 4.887 1.202 1.323 286 HG22 ILE 35 HG22 ILE 35 5.519 0.109 2.555 287 HG23 ILE 35 HG23 ILE 35 3.778 0.270 2.330 288 HD11 ILE 35 HD11 ILE 35 1.497 -0.596 -0.349 289 HD12 ILE 35 HD12 ILE 35 2.163 0.089 1.132 290 HD13 ILE 35 HD13 ILE 35 2.078 -1.661 0.932 291 H LYS 36 H LYS 36 6.931 -2.685 1.720 292 HA LYS 36 HA LYS 36 8.421 -1.030 3.464 293 HB2 LYS 36 HB2 LYS 36 9.203 -3.087 4.506 294 HB3 LYS 36 HB3 LYS 36 7.480 -3.178 4.184 295 HG2 LYS 36 HG2 LYS 36 8.021 -4.498 2.132 296 HG3 LYS 36 HG3 LYS 36 9.700 -4.531 2.673 297 HD2 LYS 36 HD2 LYS 36 7.363 -5.544 4.288 298 HD3 LYS 36 HD3 LYS 36 8.403 -6.562 3.292 299 HE2 LYS 36 HE2 LYS 36 10.309 -6.046 4.645 300 HE3 LYS 36 HE3 LYS 36 9.406 -4.826 5.542 301 HZ1 LYS 36 HZ1 LYS 36 8.156 -6.446 6.627 302 HZ2 LYS 36 HZ2 LYS 36 9.725 -7.096 6.621 303 HZ3 LYS 36 HZ3 LYS 36 8.568 -7.663 5.520 304 H ASP 37 H ASP 37 9.242 -2.718 0.552 305 HA ASP 37 HA ASP 37 12.034 -2.651 0.708 306 HB2 ASP 37 HB2 ASP 37 11.012 -3.907 -1.042 307 HB3 ASP 37 HB3 ASP 37 10.139 -2.500 -1.638 308 H HIS 38 H HIS 38 9.758 -0.256 -0.585 309 HA HIS 38 HA HIS 38 11.922 1.609 -1.121 310 HB2 HIS 38 HB2 HIS 38 8.934 1.850 -1.511 311 HB3 HIS 38 HB3 HIS 38 10.103 3.074 -1.988 312 HD1 HIS 38 HD1 HIS 38 8.929 -0.383 -2.881 313 HD2 HIS 38 HD2 HIS 38 11.442 2.580 -4.361 314 HE1 HIS 38 HE1 HIS 38 9.486 -1.079 -5.230 315 HE2 HIS 38 HE2 HIS 38 11.160 0.625 -6.033 316 H PHE 39 H PHE 39 9.045 1.450 0.945 317 HA PHE 39 HA PHE 39 9.908 3.913 2.285 318 HB2 PHE 39 HB2 PHE 39 7.235 2.511 2.496 319 HB3 PHE 39 HB3 PHE 39 7.631 4.131 3.059 320 HD1 PHE 39 HD2 PHE 39 8.379 5.826 1.252 321 HD2 PHE 39 HD1 PHE 39 6.298 2.213 0.398 322 HE1 PHE 39 HE2 PHE 39 7.673 6.749 -0.917 323 HE2 PHE 39 HE1 PHE 39 5.591 3.127 -1.775 324 HZ PHE 39 HZ PHE 39 6.279 5.401 -2.435 325 H ARG 40 H ARG 40 11.566 2.753 3.416 326 HA ARG 40 HA ARG 40 10.837 0.574 5.163 327 HB2 ARG 40 HB2 ARG 40 13.474 2.031 4.911 328 HB3 ARG 40 HB3 ARG 40 13.207 0.475 5.691 329 HG2 ARG 40 HG2 ARG 40 12.545 -0.488 3.549 330 HG3 ARG 40 HG3 ARG 40 12.805 1.069 2.768 331 HD2 ARG 40 HD2 ARG 40 15.178 0.967 3.391 332 HD3 ARG 40 HD3 ARG 40 14.902 -0.609 4.139 333 HE ARG 40 HE ARG 40 14.062 -0.479 1.390 334 HH11 ARG 40 HH11 ARG 40 16.830 -0.988 3.483 335 HH12 ARG 40 HH12 ARG 40 17.657 -2.016 2.344 336 HH21 ARG 40 HH21 ARG 40 15.155 -1.797 -0.111 337 HH22 ARG 40 HH22 ARG 40 16.695 -2.487 0.303 338 H HIS 41 H HIS 41 12.633 3.580 5.833 339 HA HIS 41 HA HIS 41 11.282 3.708 8.445 340 HB2 HIS 41 HB2 HIS 41 13.831 4.979 7.430 341 HB3 HIS 41 HB3 HIS 41 13.072 5.457 8.945 342 HD1 HIS 41 HD1 HIS 41 15.913 3.860 8.339 343 HD2 HIS 41 HD2 HIS 41 12.406 2.427 10.061 344 HE1 HIS 41 HE1 HIS 41 16.596 1.872 9.721 345 HE2 HIS 41 HE2 HIS 41 14.447 0.955 10.668 346 H LYS 42 H LYS 42 10.373 4.452 5.694 347 HA LYS 42 HA LYS 42 10.031 7.301 5.720 348 HB2 LYS 42 HB2 LYS 42 10.264 5.985 3.648 349 HB3 LYS 42 HB3 LYS 42 8.777 5.132 4.030 350 HG2 LYS 42 HG2 LYS 42 8.211 6.736 2.431 351 HG3 LYS 42 HG3 LYS 42 7.627 7.367 3.971 352 HD2 LYS 42 HD2 LYS 42 9.379 8.930 4.109 353 HD3 LYS 42 HD3 LYS 42 10.300 8.131 2.830 354 HE2 LYS 42 HE2 LYS 42 8.535 8.710 1.228 355 HE3 LYS 42 HE3 LYS 42 7.661 9.546 2.510 356 HZ1 LYS 42 HZ1 LYS 42 9.310 11.177 2.664 357 HZ2 LYS 42 HZ2 LYS 42 9.072 10.950 0.993 358 HZ3 LYS 42 HZ3 LYS 42 10.426 10.273 1.757 359 H LEU 43 H LEU 43 8.624 8.226 7.055 360 HA LEU 43 HA LEU 43 6.567 6.824 8.410 361 HB2 LEU 43 HB2 LEU 43 6.965 9.796 8.060 362 HB3 LEU 43 HB3 LEU 43 5.880 9.048 9.217 363 HG LEU 43 HG LEU 43 8.888 8.770 9.207 364 HD11 LEU 43 HD11 LEU 43 8.791 10.129 11.235 365 HD12 LEU 43 HD12 LEU 43 7.051 10.322 11.025 366 HD13 LEU 43 HD13 LEU 43 8.163 11.007 9.840 367 HD21 LEU 43 HD21 LEU 43 7.758 6.782 10.078 368 HD22 LEU 43 HD22 LEU 43 6.833 7.794 11.188 369 HD23 LEU 43 HD23 LEU 43 8.584 7.669 11.360 370 H LEU 44 H LEU 44 4.309 7.089 8.263 371 HA LEU 44 HA LEU 44 3.274 6.747 5.697 372 HB2 LEU 44 HB2 LEU 44 2.160 5.861 7.637 373 HB3 LEU 44 HB3 LEU 44 1.917 7.468 8.293 374 HG LEU 44 HG LEU 44 0.421 7.949 6.332 375 HD11 LEU 44 HD11 LEU 44 -0.469 6.070 5.077 376 HD12 LEU 44 HD12 LEU 44 0.635 4.976 5.909 377 HD13 LEU 44 HD13 LEU 44 1.272 6.220 4.833 378 HD21 LEU 44 HD21 LEU 44 -1.478 6.729 7.245 379 HD22 LEU 44 HD22 LEU 44 -0.464 7.384 8.531 380 HD23 LEU 44 HD23 LEU 44 -0.381 5.669 8.129 381 H LYS 45 H LYS 45 3.601 9.654 7.605 382 HA LYS 45 HA LYS 45 1.765 11.115 5.886 383 HB2 LYS 45 HB2 LYS 45 2.210 12.961 7.590 384 HB3 LYS 45 HB3 LYS 45 1.369 11.528 8.163 385 HG2 LYS 45 HG2 LYS 45 2.906 11.962 9.843 386 HG3 LYS 45 HG3 LYS 45 3.689 10.704 8.895 387 HD2 LYS 45 HD2 LYS 45 5.324 12.374 9.424 388 HD3 LYS 45 HD3 LYS 45 4.958 12.492 7.703 389 HE2 LYS 45 HE2 LYS 45 5.078 14.704 8.666 390 HE3 LYS 45 HE3 LYS 45 3.419 14.354 8.181 391 HZ1 LYS 45 HZ1 LYS 45 3.396 15.379 10.322 392 HZ2 LYS 45 HZ2 LYS 45 4.527 14.275 10.932 393 HZ3 LYS 45 HZ3 LYS 45 2.965 13.751 10.525 394 H ASP 46 H ASP 46 4.787 10.301 5.392 395 HA ASP 46 HA ASP 46 5.688 13.012 4.665 396 HB2 ASP 46 HB2 ASP 46 7.068 11.737 6.352 397 HB3 ASP 46 HB3 ASP 46 7.449 10.589 5.073 398 H ILE 47 H ILE 47 4.327 10.388 3.290 399 HA ILE 47 HA ILE 47 6.029 9.777 1.116 400 HB ILE 47 HB ILE 47 3.023 9.539 1.028 401 HG12 ILE 47 HG12 ILE 47 3.825 8.576 3.159 402 HG13 ILE 47 HG13 ILE 47 3.219 7.336 2.067 403 HG21 ILE 47 HG21 ILE 47 4.207 9.090 -1.051 404 HG22 ILE 47 HG22 ILE 47 3.509 7.607 -0.399 405 HG23 ILE 47 HG23 ILE 47 5.235 7.919 -0.226 406 HD11 ILE 47 HD11 ILE 47 5.231 6.599 3.187 407 HD12 ILE 47 HD12 ILE 47 6.111 7.998 2.570 408 HD13 ILE 47 HD13 ILE 47 5.517 6.767 1.455 409 H LYS 48 H LYS 48 6.592 11.084 -0.518 410 HA LYS 48 HA LYS 48 4.810 13.247 -1.323 411 HB2 LYS 48 HB2 LYS 48 7.660 12.664 -1.620 412 HB3 LYS 48 HB3 LYS 48 6.926 13.228 -3.116 413 HG2 LYS 48 HG2 LYS 48 7.815 15.109 -1.924 414 HG3 LYS 48 HG3 LYS 48 6.056 15.200 -1.902 415 HD2 LYS 48 HD2 LYS 48 6.727 15.754 0.282 416 HD3 LYS 48 HD3 LYS 48 6.185 14.078 0.382 417 HE2 LYS 48 HE2 LYS 48 8.501 13.315 0.269 418 HE3 LYS 48 HE3 LYS 48 9.053 14.985 0.138 419 HZ1 LYS 48 HZ1 LYS 48 9.301 14.343 2.388 420 HZ2 LYS 48 HZ2 LYS 48 7.740 13.691 2.460 421 HZ3 LYS 48 HZ3 LYS 48 7.948 15.370 2.339 422 H ARG 49 H ARG 49 4.018 13.460 -3.474 423 HA ARG 49 HA ARG 49 2.989 10.992 -4.444 424 HB2 ARG 49 HB2 ARG 49 1.842 12.334 -6.123 425 HB3 ARG 49 HB3 ARG 49 1.686 13.067 -4.533 426 HG2 ARG 49 HG2 ARG 49 3.483 14.646 -5.112 427 HG3 ARG 49 HG3 ARG 49 3.560 13.930 -6.723 428 HD2 ARG 49 HD2 ARG 49 1.208 14.538 -7.086 429 HD3 ARG 49 HD3 ARG 49 1.172 15.301 -5.495 430 HE ARG 49 HE ARG 49 3.220 16.269 -7.299 431 HH11 ARG 49 HH11 ARG 49 -0.006 16.712 -6.007 432 HH12 ARG 49 HH12 ARG 49 -0.111 18.374 -6.513 433 HH21 ARG 49 HH21 ARG 49 3.105 18.438 -7.926 434 HH22 ARG 49 HH22 ARG 49 1.665 19.358 -7.619 435 H THR 50 H THR 50 5.767 12.870 -5.235 436 HA THR 50 HA THR 50 6.093 11.979 -7.908 437 HB THR 50 HB THR 50 8.509 12.697 -7.519 438 HG1 THR 50 HG1 THR 50 9.071 13.297 -5.566 439 HG21 THR 50 HG21 THR 50 6.814 14.153 -8.541 440 HG22 THR 50 HG22 THR 50 7.932 15.072 -7.532 441 HG23 THR 50 HG23 THR 50 6.317 14.691 -6.936 442 H GLU 51 H GLU 51 7.421 10.888 -4.798 443 HA GLU 51 HA GLU 51 8.907 8.744 -5.981 444 HB2 GLU 51 HB2 GLU 51 9.371 8.049 -3.693 445 HB3 GLU 51 HB3 GLU 51 9.589 9.786 -3.848 446 HG2 GLU 51 HG2 GLU 51 7.276 10.052 -2.904 447 HG3 GLU 51 HG3 GLU 51 7.302 8.324 -2.558 448 H TYR 52 H TYR 52 5.726 9.133 -4.596 449 HA TYR 52 HA TYR 52 4.958 6.441 -4.402 450 HB2 TYR 52 HB2 TYR 52 3.660 8.345 -3.488 451 HB3 TYR 52 HB3 TYR 52 3.266 8.850 -5.126 452 HD1 TYR 52 HD1 TYR 52 2.935 5.922 -2.838 453 HD2 TYR 52 HD2 TYR 52 1.279 8.116 -6.087 454 HE1 TYR 52 HE1 TYR 52 0.927 4.509 -2.764 455 HE2 TYR 52 HE2 TYR 52 -0.731 6.704 -6.023 456 HH TYR 52 HH TYR 52 -1.480 4.582 -5.237 457 H GLN 53 H GLN 53 4.903 8.726 -7.073 458 HA GLN 53 HA GLN 53 3.704 7.107 -9.024 459 HB2 GLN 53 HB2 GLN 53 4.440 9.655 -8.963 460 HB3 GLN 53 HB3 GLN 53 5.894 9.029 -9.720 461 HG2 GLN 53 HG2 GLN 53 3.108 8.662 -10.797 462 HG3 GLN 53 HG3 GLN 53 4.226 9.921 -11.310 463 HE21 GLN 53 HE21 GLN 53 3.365 6.604 -11.510 464 HE22 GLN 53 HE22 GLN 53 4.513 6.147 -12.721 465 H LYS 54 H LYS 54 7.074 7.509 -8.017 466 HA LYS 54 HA LYS 54 8.218 5.862 -10.016 467 HB2 LYS 54 HB2 LYS 54 9.362 6.416 -7.272 468 HB3 LYS 54 HB3 LYS 54 10.249 5.946 -8.716 469 HG2 LYS 54 HG2 LYS 54 8.915 8.574 -8.128 470 HG3 LYS 54 HG3 LYS 54 10.624 8.253 -8.434 471 HD2 LYS 54 HD2 LYS 54 10.159 7.708 -10.730 472 HD3 LYS 54 HD3 LYS 54 8.424 7.843 -10.445 473 HE2 LYS 54 HE2 LYS 54 8.738 10.234 -9.902 474 HE3 LYS 54 HE3 LYS 54 10.450 10.071 -10.297 475 HZ1 LYS 54 HZ1 LYS 54 9.128 10.975 -12.141 476 HZ2 LYS 54 HZ2 LYS 54 8.225 9.543 -12.191 477 HZ3 LYS 54 HZ3 LYS 54 9.880 9.510 -12.548 478 H PHE 55 H PHE 55 6.939 5.243 -6.824 479 HA PHE 55 HA PHE 55 7.761 2.583 -6.506 480 HB2 PHE 55 HB2 PHE 55 6.852 3.740 -4.627 481 HB3 PHE 55 HB3 PHE 55 5.364 4.111 -5.489 482 HD1 PHE 55 HD2 PHE 55 7.340 1.284 -4.119 483 HD2 PHE 55 HD1 PHE 55 3.513 2.729 -5.288 484 HE1 PHE 55 HE2 PHE 55 6.293 -0.732 -3.173 485 HE2 PHE 55 HE1 PHE 55 2.459 0.716 -4.347 486 HZ PHE 55 HZ PHE 55 3.850 -1.018 -3.286 487 H LEU 56 H LEU 56 4.905 3.977 -8.047 488 HA LEU 56 HA LEU 56 3.653 1.492 -8.600 489 HB2 LEU 56 HB2 LEU 56 3.251 4.225 -9.806 490 HB3 LEU 56 HB3 LEU 56 2.216 2.845 -10.123 491 HG LEU 56 HG LEU 56 2.636 4.114 -7.416 492 HD11 LEU 56 HD11 LEU 56 0.354 4.923 -7.678 493 HD12 LEU 56 HD12 LEU 56 0.292 4.238 -9.303 494 HD13 LEU 56 HD13 LEU 56 1.405 5.559 -8.944 495 HD21 LEU 56 HD21 LEU 56 0.801 2.683 -6.701 496 HD22 LEU 56 HD22 LEU 56 2.147 1.713 -7.302 497 HD23 LEU 56 HD23 LEU 56 0.718 1.961 -8.308 498 H ASN 57 H ASN 57 5.767 3.616 -10.486 499 HA ASN 57 HA ASN 57 5.541 2.318 -12.957 500 HB2 ASN 57 HB2 ASN 57 7.866 3.818 -11.743 501 HB3 ASN 57 HB3 ASN 57 7.859 3.228 -13.401 502 HD21 ASN 57 HD21 ASN 57 8.059 5.926 -12.433 503 HD22 ASN 57 HD22 ASN 57 6.714 6.797 -13.097 504 H GLU 58 H GLU 58 7.681 1.694 -10.222 505 HA GLU 58 HA GLU 58 9.146 -0.384 -11.503 506 HB2 GLU 58 HB2 GLU 58 9.922 0.984 -9.539 507 HB3 GLU 58 HB3 GLU 58 8.792 0.082 -8.540 508 HG2 GLU 58 HG2 GLU 58 9.974 -1.994 -9.133 509 HG3 GLU 58 HG3 GLU 58 11.140 -1.038 -10.049 510 H TYR 59 H TYR 59 6.314 -0.268 -9.405 511 HA TYR 59 HA TYR 59 6.117 -3.070 -8.997 512 HB2 TYR 59 HB2 TYR 59 5.001 -1.263 -7.614 513 HB3 TYR 59 HB3 TYR 59 3.835 -1.088 -8.921 514 HD1 TYR 59 HD2 TYR 59 5.110 -3.364 -6.325 515 HD2 TYR 59 HD1 TYR 59 2.071 -2.679 -9.222 516 HE1 TYR 59 HE2 TYR 59 3.790 -5.196 -5.361 517 HE2 TYR 59 HE1 TYR 59 0.740 -4.512 -8.263 518 HH TYR 59 HH TYR 59 1.366 -5.870 -5.268 519 H GLY 60 H GLY 60 4.910 -0.862 -11.431 520 HA2 GLY 60 HA2 GLY 60 3.162 -2.729 -12.702 521 HA3 GLY 60 HA3 GLY 60 3.709 -1.196 -13.362 522 H LEU 61 H LEU 61 6.508 -2.567 -12.614 523 HA LEU 61 HA LEU 61 6.885 -3.713 -15.264 524 HB2 LEU 61 HB2 LEU 61 8.786 -3.094 -13.002 525 HB3 LEU 61 HB3 LEU 61 9.286 -3.917 -14.466 526 HG LEU 61 HG LEU 61 8.108 -1.137 -14.389 527 HD11 LEU 61 HD11 LEU 61 10.385 -0.373 -14.830 528 HD12 LEU 61 HD12 LEU 61 10.974 -2.030 -14.690 529 HD13 LEU 61 HD13 LEU 61 10.285 -1.217 -13.284 530 HD21 LEU 61 HD21 LEU 61 7.716 -2.292 -16.494 531 HD22 LEU 61 HD22 LEU 61 9.424 -2.716 -16.598 532 HD23 LEU 61 HD23 LEU 61 8.927 -1.027 -16.701 533 H THR 62 H THR 62 6.269 -4.748 -12.071 534 HA THR 62 HA THR 62 7.387 -7.411 -12.627 535 HB THR 62 HB THR 62 7.191 -7.653 -10.070 536 HG1 THR 62 HG1 THR 62 7.414 -4.842 -10.025 537 HG21 THR 62 HG21 THR 62 9.351 -6.500 -9.724 538 HG22 THR 62 HG22 THR 62 9.161 -5.719 -11.294 539 HG23 THR 62 HG23 THR 62 9.330 -7.472 -11.196 540 H HIS 63 H HIS 63 4.449 -5.726 -12.224 541 HA HIS 63 HA HIS 63 3.033 -8.264 -11.854 542 HB2 HIS 63 HB2 HIS 63 2.556 -5.742 -10.255 543 HB3 HIS 63 HB3 HIS 63 1.453 -7.114 -10.278 544 HD1 HIS 63 HD1 HIS 63 4.912 -6.138 -9.117 545 HD2 HIS 63 HD2 HIS 63 2.177 -9.239 -8.654 546 HE1 HIS 63 HE1 HIS 63 5.832 -7.585 -7.280 547 HE2 HIS 63 HE2 HIS 63 4.212 -9.504 -7.070 548 H SER 64 H SER 64 0.704 -8.090 -12.368 549 HA SER 64 HA SER 64 0.407 -6.767 -14.894 550 HB2 SER 64 HB2 SER 64 -1.568 -8.428 -13.309 551 HB3 SER 64 HB3 SER 64 -1.721 -7.977 -15.008 552 HG SER 64 HG SER 64 -0.082 -9.311 -15.535 553 H TYR 65 H TYR 65 -1.896 -5.789 -15.311 554 HA TYR 65 HA TYR 65 -1.986 -3.334 -13.962 555 HB2 TYR 65 HB2 TYR 65 -2.840 -3.391 -16.189 556 HB3 TYR 65 HB3 TYR 65 -3.983 -4.673 -15.792 557 HD1 TYR 65 HD2 TYR 65 -3.185 -1.103 -15.142 558 HD2 TYR 65 HD1 TYR 65 -6.151 -4.158 -15.005 559 HE1 TYR 65 HE2 TYR 65 -4.889 0.585 -14.599 560 HE2 TYR 65 HE1 TYR 65 -7.859 -2.479 -14.463 561 HH TYR 65 HH TYR 65 -7.336 0.865 -14.725 562 H GLU 66 H GLU 66 -4.042 -6.222 -13.669 563 HA GLU 66 HA GLU 66 -5.899 -5.099 -11.892 564 HB2 GLU 66 HB2 GLU 66 -6.116 -7.311 -13.100 565 HB3 GLU 66 HB3 GLU 66 -5.033 -7.994 -11.891 566 HG2 GLU 66 HG2 GLU 66 -6.620 -7.315 -10.133 567 HG3 GLU 66 HG3 GLU 66 -7.713 -6.736 -11.390 568 H THR 67 H THR 67 -2.740 -6.502 -11.373 569 HA THR 67 HA THR 67 -2.942 -6.726 -8.546 570 HB THR 67 HB THR 67 -0.315 -6.450 -9.968 571 HG1 THR 67 HG1 THR 67 -1.910 -8.816 -9.963 572 HG21 THR 67 HG21 THR 67 -1.325 -8.233 -7.750 573 HG22 THR 67 HG22 THR 67 -0.315 -6.801 -7.552 574 HG23 THR 67 HG23 THR 67 0.322 -8.221 -8.383 575 H ILE 68 H ILE 68 -1.505 -4.299 -10.730 576 HA ILE 68 HA ILE 68 -0.570 -2.681 -8.564 577 HB ILE 68 HB ILE 68 0.550 -2.597 -10.744 578 HG12 ILE 68 HG12 ILE 68 -0.697 0.046 -9.957 579 HG13 ILE 68 HG13 ILE 68 0.724 -0.678 -9.212 580 HG21 ILE 68 HG21 ILE 68 -0.453 -1.424 -12.639 581 HG22 ILE 68 HG22 ILE 68 -1.964 -1.273 -11.744 582 HG23 ILE 68 HG23 ILE 68 -1.370 -2.868 -12.207 583 HD11 ILE 68 HD11 ILE 68 1.921 -0.489 -11.339 584 HD12 ILE 68 HD12 ILE 68 1.354 1.075 -10.752 585 HD13 ILE 68 HD13 ILE 68 0.499 0.262 -12.062 586 H ARG 69 H ARG 69 -3.479 -2.755 -10.536 587 HA ARG 69 HA ARG 69 -4.534 -0.263 -9.768 588 HB2 ARG 69 HB2 ARG 69 -5.456 -1.554 -11.641 589 HB3 ARG 69 HB3 ARG 69 -6.026 -2.784 -10.518 590 HG2 ARG 69 HG2 ARG 69 -7.414 -1.019 -9.422 591 HG3 ARG 69 HG3 ARG 69 -6.956 0.065 -10.733 592 HD2 ARG 69 HD2 ARG 69 -7.980 -1.416 -12.355 593 HD3 ARG 69 HD3 ARG 69 -8.362 -2.578 -11.082 594 HE ARG 69 HE ARG 69 -9.627 0.039 -11.489 595 HH11 ARG 69 HH11 ARG 69 -9.498 -3.044 -9.836 596 HH12 ARG 69 HH12 ARG 69 -11.034 -2.832 -9.048 597 HH21 ARG 69 HH21 ARG 69 -11.679 0.298 -10.516 598 HH22 ARG 69 HH22 ARG 69 -12.301 -0.957 -9.477 599 H LYS 70 H LYS 70 -5.048 -3.524 -8.388 600 HA LYS 70 HA LYS 70 -6.766 -2.600 -6.339 601 HB2 LYS 70 HB2 LYS 70 -6.400 -4.781 -5.264 602 HB3 LYS 70 HB3 LYS 70 -6.778 -4.944 -6.970 603 HG2 LYS 70 HG2 LYS 70 -4.509 -5.447 -7.498 604 HG3 LYS 70 HG3 LYS 70 -3.984 -5.046 -5.862 605 HD2 LYS 70 HD2 LYS 70 -4.123 -7.466 -6.189 606 HD3 LYS 70 HD3 LYS 70 -5.277 -6.912 -4.975 607 HE2 LYS 70 HE2 LYS 70 -7.023 -6.902 -6.769 608 HE3 LYS 70 HE3 LYS 70 -5.844 -7.658 -7.840 609 HZ1 LYS 70 HZ1 LYS 70 -5.660 -9.461 -6.160 610 HZ2 LYS 70 HZ2 LYS 70 -7.178 -9.365 -6.902 611 HZ3 LYS 70 HZ3 LYS 70 -6.965 -8.775 -5.326 612 H LEU 71 H LEU 71 -3.277 -3.030 -6.539 613 HA LEU 71 HA LEU 71 -2.564 -2.548 -3.900 614 HB2 LEU 71 HB2 LEU 71 -0.851 -3.146 -5.410 615 HB3 LEU 71 HB3 LEU 71 -1.249 -1.843 -6.512 616 HG LEU 71 HG LEU 71 -0.423 -0.216 -4.818 617 HD11 LEU 71 HD11 LEU 71 0.961 -1.050 -2.976 618 HD12 LEU 71 HD12 LEU 71 0.488 -2.700 -3.379 619 HD13 LEU 71 HD13 LEU 71 -0.723 -1.549 -2.816 620 HD21 LEU 71 HD21 LEU 71 1.555 -2.316 -5.682 621 HD22 LEU 71 HD22 LEU 71 1.939 -0.661 -5.205 622 HD23 LEU 71 HD23 LEU 71 0.988 -0.963 -6.659 623 H ASN 72 H ASN 72 -3.124 -0.225 -6.521 624 HA ASN 72 HA ASN 72 -2.646 2.128 -5.125 625 HB2 ASN 72 HB2 ASN 72 -2.960 2.031 -7.568 626 HB3 ASN 72 HB3 ASN 72 -4.667 1.668 -7.331 627 HD21 ASN 72 HD21 ASN 72 -5.431 3.459 -8.357 628 HD22 ASN 72 HD22 ASN 72 -5.248 5.060 -7.739 629 H SER 73 H SER 73 -5.713 0.339 -5.504 630 HA SER 73 HA SER 73 -7.255 2.209 -4.069 631 HB2 SER 73 HB2 SER 73 -8.867 0.223 -3.795 632 HB3 SER 73 HB3 SER 73 -8.495 0.762 -5.432 633 HG SER 73 HG SER 73 -6.882 -1.233 -4.323 634 H TYR 74 H TYR 74 -5.295 -0.507 -2.986 635 HA TYR 74 HA TYR 74 -6.273 -0.558 -0.317 636 HB2 TYR 74 HB2 TYR 74 -3.504 -1.303 -1.289 637 HB3 TYR 74 HB3 TYR 74 -4.224 -1.763 0.246 638 HD1 TYR 74 HD2 TYR 74 -7.018 -2.335 -1.097 639 HD2 TYR 74 HD1 TYR 74 -3.027 -3.573 -1.905 640 HE1 TYR 74 HE2 TYR 74 -7.870 -4.391 -2.141 641 HE2 TYR 74 HE1 TYR 74 -3.868 -5.625 -2.953 642 HH TYR 74 HH TYR 74 -7.161 -6.067 -3.754 643 H ILE 75 H ILE 75 -3.466 0.983 -1.835 644 HA ILE 75 HA ILE 75 -2.507 2.287 0.462 645 HB ILE 75 HB ILE 75 -2.200 3.076 -2.439 646 HG12 ILE 75 HG12 ILE 75 -0.377 1.491 -0.613 647 HG13 ILE 75 HG13 ILE 75 -1.371 0.813 -1.897 648 HG21 ILE 75 HG21 ILE 75 -0.239 4.344 -1.703 649 HG22 ILE 75 HG22 ILE 75 -0.612 3.947 -0.026 650 HG23 ILE 75 HG23 ILE 75 -1.719 4.952 -0.960 651 HD11 ILE 75 HD11 ILE 75 0.899 2.754 -2.262 652 HD12 ILE 75 HD12 ILE 75 -0.098 2.080 -3.551 653 HD13 ILE 75 HD13 ILE 75 0.941 1.022 -2.595 654 H ARG 76 H ARG 76 -4.694 3.370 -2.112 655 HA ARG 76 HA ARG 76 -5.105 5.983 -1.242 656 HB2 ARG 76 HB2 ARG 76 -5.896 5.212 -3.405 657 HB3 ARG 76 HB3 ARG 76 -7.022 4.104 -2.634 658 HG2 ARG 76 HG2 ARG 76 -8.300 5.950 -1.754 659 HG3 ARG 76 HG3 ARG 76 -7.127 7.103 -2.394 660 HD2 ARG 76 HD2 ARG 76 -7.703 6.573 -4.634 661 HD3 ARG 76 HD3 ARG 76 -8.649 5.172 -4.129 662 HE ARG 76 HE ARG 76 -10.082 6.950 -2.953 663 HH11 ARG 76 HH11 ARG 76 -8.415 7.425 -6.006 664 HH12 ARG 76 HH12 ARG 76 -9.578 8.577 -6.594 665 HH21 ARG 76 HH21 ARG 76 -11.600 8.482 -3.738 666 HH22 ARG 76 HH22 ARG 76 -11.360 9.189 -5.311 667 H ASN 77 H ASN 77 -6.841 3.007 -0.329 668 HA ASN 77 HA ASN 77 -8.608 4.330 1.473 669 HB2 ASN 77 HB2 ASN 77 -7.921 1.476 0.930 670 HB3 ASN 77 HB3 ASN 77 -8.773 1.872 2.418 671 HD21 ASN 77 HD21 ASN 77 -10.853 2.760 2.302 672 HD22 ASN 77 HD22 ASN 77 -11.816 2.596 0.871 673 H ALA 78 H ALA 78 -5.432 2.889 1.797 674 HA ALA 78 HA ALA 78 -5.311 2.791 4.597 675 HB1 ALA 78 HB1 ALA 78 -3.660 1.700 3.176 676 HB2 ALA 78 HB2 ALA 78 -2.877 2.787 4.326 677 HB3 ALA 78 HB3 ALA 78 -3.065 3.272 2.639 678 H PHE 79 H PHE 79 -4.401 5.381 2.335 679 HA PHE 79 HA PHE 79 -3.775 7.241 4.410 680 HB2 PHE 79 HB2 PHE 79 -4.253 7.519 1.454 681 HB3 PHE 79 HB3 PHE 79 -4.010 8.928 2.478 682 HD1 PHE 79 HD1 PHE 79 -1.868 9.338 3.546 683 HD2 PHE 79 HD2 PHE 79 -2.435 6.035 0.928 684 HE1 PHE 79 HE1 PHE 79 0.568 9.072 3.358 685 HE2 PHE 79 HE2 PHE 79 0.001 5.762 0.740 686 HZ PHE 79 HZ PHE 79 1.506 7.282 1.956 687 H ASP 80 H ASP 80 -6.654 6.475 2.555 688 HA ASP 80 HA ASP 80 -8.230 8.683 3.325 689 HB2 ASP 80 HB2 ASP 80 -8.884 7.240 1.476 690 HB3 ASP 80 HB3 ASP 80 -9.047 5.867 2.565 691 H ASP 81 H ASP 81 -7.707 5.516 4.782 692 HA ASP 81 HA ASP 81 -9.528 5.838 6.935 693 HB2 ASP 81 HB2 ASP 81 -8.534 3.656 6.141 694 HB3 ASP 81 HB3 ASP 81 -7.024 4.142 6.899 695 H ALA 82 H ALA 82 -6.019 6.278 6.650 696 HA ALA 82 HA ALA 82 -5.565 7.059 9.309 697 HB1 ALA 82 HB1 ALA 82 -3.407 7.834 8.551 698 HB2 ALA 82 HB2 ALA 82 -3.959 7.812 6.876 699 HB3 ALA 82 HB3 ALA 82 -3.803 6.301 7.773 700 H ILE 83 H ILE 83 -6.381 8.960 6.433 701 HA ILE 83 HA ILE 83 -6.039 11.482 7.725 702 HB ILE 83 HB ILE 83 -6.091 11.023 5.203 703 HG12 ILE 83 HG12 ILE 83 -7.723 13.344 6.251 704 HG13 ILE 83 HG13 ILE 83 -5.964 13.271 6.263 705 HG21 ILE 83 HG21 ILE 83 -8.175 9.854 5.005 706 HG22 ILE 83 HG22 ILE 83 -8.308 11.381 4.131 707 HG23 ILE 83 HG23 ILE 83 -9.056 11.204 5.721 708 HD11 ILE 83 HD11 ILE 83 -5.950 13.171 3.825 709 HD12 ILE 83 HD12 ILE 83 -6.778 14.613 4.413 710 HD13 ILE 83 HD13 ILE 83 -7.713 13.243 3.811 711 H HIS 84 H HIS 84 -8.649 9.210 7.365 712 HA HIS 84 HA HIS 84 -10.762 10.822 8.301 713 HB2 HIS 84 HB2 HIS 84 -11.014 8.607 7.159 714 HB3 HIS 84 HB3 HIS 84 -10.430 7.831 8.628 715 HD1 HIS 84 HD1 HIS 84 -12.060 7.624 10.596 716 HD2 HIS 84 HD2 HIS 84 -13.578 9.708 7.324 717 HE1 HIS 84 HE1 HIS 84 -14.532 7.870 11.031 718 HE2 HIS 84 HE2 HIS 84 -15.430 9.167 9.059 719 H GLU 85 H GLU 85 -8.294 8.915 9.868 720 HA GLU 85 HA GLU 85 -9.514 9.247 12.486 721 HB2 GLU 85 HB2 GLU 85 -6.857 7.993 11.773 722 HB3 GLU 85 HB3 GLU 85 -7.706 7.853 13.306 723 HG2 GLU 85 HG2 GLU 85 -8.624 6.762 10.654 724 HG3 GLU 85 HG3 GLU 85 -7.956 5.834 11.993 725 H GLY 86 H GLY 86 -7.510 11.022 10.499 726 HA2 GLY 86 HA2 GLY 86 -6.741 13.175 10.914 727 HA3 GLY 86 HA3 GLY 86 -7.047 12.927 12.628 728 H TYR 87 H TYR 87 -5.189 10.687 10.716 729 HA TYR 87 HA TYR 87 -2.874 11.328 12.390 730 HB2 TYR 87 HB2 TYR 87 -3.643 9.053 12.611 731 HB3 TYR 87 HB3 TYR 87 -3.605 8.824 10.866 732 HD1 TYR 87 HD1 TYR 87 -1.105 10.275 13.231 733 HD2 TYR 87 HD2 TYR 87 -2.013 7.246 10.392 734 HE1 TYR 87 HE1 TYR 87 1.207 9.453 13.384 735 HE2 TYR 87 HE2 TYR 87 0.296 6.412 10.532 736 HH TYR 87 HH TYR 87 2.475 7.139 11.171 737 H VAL 88 H VAL 88 -3.676 10.515 9.000 738 HA VAL 88 HA VAL 88 -1.084 11.648 8.225 739 HB VAL 88 HB VAL 88 -1.882 9.357 7.351 740 HG11 VAL 88 HG11 VAL 88 -3.224 9.434 5.297 741 HG12 VAL 88 HG12 VAL 88 -3.513 11.153 5.566 742 HG13 VAL 88 HG13 VAL 88 -4.133 9.964 6.712 743 HG21 VAL 88 HG21 VAL 88 0.079 10.464 6.487 744 HG22 VAL 88 HG22 VAL 88 -0.916 11.486 5.448 745 HG23 VAL 88 HG23 VAL 88 -0.829 9.748 5.154 746 H ILE 89 H ILE 89 -1.002 13.151 6.440 747 HA ILE 89 HA ILE 89 -3.469 14.705 6.096 748 HB ILE 89 HB ILE 89 -2.170 15.844 7.788 749 HG12 ILE 89 HG12 ILE 89 -1.933 17.279 5.133 750 HG13 ILE 89 HG13 ILE 89 -3.374 17.234 6.145 751 HG21 ILE 89 HG21 ILE 89 0.085 15.815 5.794 752 HG22 ILE 89 HG22 ILE 89 0.015 14.946 7.328 753 HG23 ILE 89 HG23 ILE 89 0.086 16.708 7.315 754 HD11 ILE 89 HD11 ILE 89 -2.167 18.414 7.909 755 HD12 ILE 89 HD12 ILE 89 -2.188 19.330 6.403 756 HD13 ILE 89 HD13 ILE 89 -0.730 18.466 6.888 757 H LYS 90 H LYS 90 -0.458 13.563 4.783 758 HA LYS 90 HA LYS 90 -0.978 14.941 2.253 759 HB2 LYS 90 HB2 LYS 90 1.465 13.604 3.395 760 HB3 LYS 90 HB3 LYS 90 1.349 14.007 1.690 761 HG2 LYS 90 HG2 LYS 90 1.057 16.012 3.915 762 HG3 LYS 90 HG3 LYS 90 2.569 15.674 3.068 763 HD2 LYS 90 HD2 LYS 90 1.521 16.313 0.951 764 HD3 LYS 90 HD3 LYS 90 0.014 16.657 1.801 765 HE2 LYS 90 HE2 LYS 90 2.647 18.041 2.309 766 HE3 LYS 90 HE3 LYS 90 1.341 18.686 1.316 767 HZ1 LYS 90 HZ1 LYS 90 1.197 18.081 4.223 768 HZ2 LYS 90 HZ2 LYS 90 -0.097 18.638 3.277 769 HZ3 LYS 90 HZ3 LYS 90 1.264 19.623 3.522 770 H ASN 91 H ASN 91 -2.163 13.841 0.852 771 HA ASN 91 HA ASN 91 -1.841 10.924 0.721 772 HB2 ASN 91 HB2 ASN 91 -4.040 12.655 -0.443 773 HB3 ASN 91 HB3 ASN 91 -3.947 10.905 -0.576 774 HD21 ASN 91 HD21 ASN 91 -5.768 10.381 0.502 775 HD22 ASN 91 HD22 ASN 91 -6.039 10.734 2.175 776 HA PRO 92 HA PRO 92 0.566 12.141 -2.866 777 HB2 PRO 92 HB2 PRO 92 1.974 9.885 -3.106 778 HB3 PRO 92 HB3 PRO 92 2.256 11.002 -1.764 779 HG2 PRO 92 HG2 PRO 92 0.683 8.450 -1.804 780 HG3 PRO 92 HG3 PRO 92 1.834 9.035 -0.588 781 HD2 PRO 92 HD2 PRO 92 -0.889 9.260 -0.355 782 HD3 PRO 92 HD3 PRO 92 0.267 10.350 0.436 783 H THR 93 H THR 93 -2.144 10.510 -2.886 784 HA THR 93 HA THR 93 -1.831 8.648 -5.030 785 HB THR 93 HB THR 93 -4.438 8.755 -4.914 786 HG1 THR 93 HG1 THR 93 -5.052 9.510 -2.750 787 HG21 THR 93 HG21 THR 93 -3.095 6.892 -4.069 788 HG22 THR 93 HG22 THR 93 -4.416 7.260 -2.961 789 HG23 THR 93 HG23 THR 93 -2.776 7.785 -2.583 790 H TYR 94 H TYR 94 -1.785 11.919 -5.139 791 HA TYR 94 HA TYR 94 -3.516 12.605 -7.230 792 HB2 TYR 94 HB2 TYR 94 -2.317 14.279 -5.893 793 HB3 TYR 94 HB3 TYR 94 -0.788 13.746 -6.579 794 HD1 TYR 94 HD1 TYR 94 -3.907 15.574 -7.242 795 HD2 TYR 94 HD2 TYR 94 -0.129 14.410 -8.817 796 HE1 TYR 94 HE1 TYR 94 -4.164 17.211 -9.061 797 HE2 TYR 94 HE2 TYR 94 -0.377 16.043 -10.637 798 HH TYR 94 HH TYR 94 -2.351 17.175 -11.833 799 H LYS 95 H LYS 95 -0.244 11.285 -7.268 800 HA LYS 95 HA LYS 95 -0.436 11.007 -10.185 801 HB2 LYS 95 HB2 LYS 95 1.905 11.261 -8.328 802 HB3 LYS 95 HB3 LYS 95 2.106 10.492 -9.897 803 HG2 LYS 95 HG2 LYS 95 1.156 13.304 -9.381 804 HG3 LYS 95 HG3 LYS 95 2.715 12.816 -10.052 805 HD2 LYS 95 HD2 LYS 95 1.546 11.806 -11.971 806 HD3 LYS 95 HD3 LYS 95 0.008 12.361 -11.309 807 HE2 LYS 95 HE2 LYS 95 0.687 13.901 -13.005 808 HE3 LYS 95 HE3 LYS 95 0.873 14.695 -11.442 809 HZ1 LYS 95 HZ1 LYS 95 2.759 15.066 -12.961 810 HZ2 LYS 95 HZ2 LYS 95 3.086 13.400 -12.942 811 HZ3 LYS 95 HZ3 LYS 95 3.227 14.307 -11.516 812 H ALA 96 H ALA 96 -1.888 9.271 -8.603 813 HA ALA 96 HA ALA 96 -0.454 6.795 -8.333 814 HB1 ALA 96 HB1 ALA 96 -2.605 5.835 -7.743 815 HB2 ALA 96 HB2 ALA 96 -3.424 7.312 -8.260 816 HB3 ALA 96 HB3 ALA 96 -2.341 7.345 -6.866 817 H GLU 97 H GLU 97 0.274 7.203 -10.672 818 HA GLU 97 HA GLU 97 -1.585 6.578 -12.753 819 HB2 GLU 97 HB2 GLU 97 1.420 6.799 -12.706 820 HB3 GLU 97 HB3 GLU 97 0.507 6.420 -14.160 821 HG2 GLU 97 HG2 GLU 97 -0.757 8.572 -13.761 822 HG3 GLU 97 HG3 GLU 97 0.472 8.955 -12.555 823 H LEU 98 H LEU 98 -2.405 4.639 -13.000 824 HA LEU 98 HA LEU 98 -1.061 2.260 -12.094 825 HB2 LEU 98 HB2 LEU 98 -3.647 2.612 -13.606 826 HB3 LEU 98 HB3 LEU 98 -3.081 1.109 -12.900 827 HG LEU 98 HG LEU 98 -3.750 3.612 -11.347 828 HD11 LEU 98 HD11 LEU 98 -5.695 2.359 -10.562 829 HD12 LEU 98 HD12 LEU 98 -5.272 1.024 -11.634 830 HD13 LEU 98 HD13 LEU 98 -5.738 2.585 -12.310 831 HD21 LEU 98 HD21 LEU 98 -3.518 2.177 -9.383 832 HD22 LEU 98 HD22 LEU 98 -2.009 2.270 -10.293 833 HD23 LEU 98 HD23 LEU 98 -3.027 0.835 -10.418 834 H HIS 99 H HIS 99 0.774 2.880 -13.633 835 HA HIS 99 HA HIS 99 0.265 2.036 -16.381 836 HB2 HIS 99 HB2 HIS 99 2.592 3.388 -15.048 837 HB3 HIS 99 HB3 HIS 99 2.775 2.625 -16.623 838 HD1 HIS 99 HD1 HIS 99 1.940 3.890 -18.637 839 HD2 HIS 99 HD2 HIS 99 0.825 5.630 -15.025 840 HE1 HIS 99 HE1 HIS 99 0.982 6.144 -19.230 841 HE2 HIS 99 HE2 HIS 99 0.535 7.259 -17.008 842 H ALA 100 H ALA 100 -0.109 -0.186 -15.895 843 HA ALA 100 HA ALA 100 1.999 -1.847 -14.950 844 HB1 ALA 100 HB1 ALA 100 -0.326 -2.567 -16.740 845 HB2 ALA 100 HB2 ALA 100 -0.345 -2.599 -14.977 846 HB3 ALA 100 HB3 ALA 100 0.708 -3.700 -15.867 847 H SER 101 H SER 101 3.880 -1.397 -15.985 848 HA SER 101 HA SER 101 3.991 -0.723 -18.744 849 HB2 SER 101 HB2 SER 101 6.253 -1.404 -16.856 850 HB3 SER 101 HB3 SER 101 6.391 -0.548 -18.394 851 HG SER 101 HG SER 101 4.715 0.397 -16.321 852 H VAL 102 H VAL 102 3.925 -3.678 -17.096 853 HA VAL 102 HA VAL 102 5.290 -5.375 -18.866 854 HB VAL 102 HB VAL 102 2.679 -6.009 -17.476 855 HG11 VAL 102 HG11 VAL 102 3.485 -8.307 -17.484 856 HG12 VAL 102 HG12 VAL 102 4.957 -7.800 -18.312 857 HG13 VAL 102 HG13 VAL 102 3.397 -7.666 -19.125 858 HG21 VAL 102 HG21 VAL 102 4.022 -6.811 -15.593 859 HG22 VAL 102 HG22 VAL 102 4.223 -5.079 -15.855 860 HG23 VAL 102 HG23 VAL 102 5.479 -6.202 -16.379 861 H LEU 103 H LEU 103 2.184 -3.783 -19.032 862 HA LEU 103 HA LEU 103 1.846 -4.750 -21.786 863 HB2 LEU 103 HB2 LEU 103 -0.278 -4.517 -19.654 864 HB3 LEU 103 HB3 LEU 103 -0.629 -4.740 -21.357 865 HG LEU 103 HG LEU 103 0.919 -6.687 -19.641 866 HD11 LEU 103 HD11 LEU 103 -1.904 -6.826 -20.692 867 HD12 LEU 103 HD12 LEU 103 -1.440 -6.568 -19.011 868 HD13 LEU 103 HD13 LEU 103 -1.062 -8.096 -19.805 869 HD21 LEU 103 HD21 LEU 103 0.683 -8.191 -21.555 870 HD22 LEU 103 HD22 LEU 103 1.590 -6.740 -21.985 871 HD23 LEU 103 HD23 LEU 103 -0.097 -6.903 -22.473 872 H GLU 104 H GLU 104 3.005 -2.296 -20.774 873 HA GLU 104 HA GLU 104 1.251 -0.101 -21.062 874 HB2 GLU 104 HB2 GLU 104 3.480 0.134 -20.085 875 HB3 GLU 104 HB3 GLU 104 4.224 -0.346 -21.599 876 HG2 GLU 104 HG2 GLU 104 4.480 1.987 -21.433 877 HG3 GLU 104 HG3 GLU 104 3.221 1.710 -22.631 878 H HIS 105 H HIS 105 -0.083 -0.192 -22.818 879 HA HIS 105 HA HIS 105 0.947 -1.209 -25.325 880 HB2 HIS 105 HB2 HIS 105 -1.303 -1.870 -24.313 881 HB3 HIS 105 HB3 HIS 105 -1.873 -0.285 -24.829 882 HD1 HIS 105 HD1 HIS 105 -2.030 0.134 -27.424 883 HD2 HIS 105 HD2 HIS 105 -1.024 -3.752 -26.334 884 HE1 HIS 105 HE1 HIS 105 -2.336 -1.252 -29.497 885 HE2 HIS 105 HE2 HIS 105 -1.901 -3.625 -28.767 886 H HIS 106 H HIS 106 1.811 0.035 -26.744 887 HA HIS 106 HA HIS 106 0.492 2.568 -27.428 888 HB2 HIS 106 HB2 HIS 106 3.473 2.131 -27.100 889 HB3 HIS 106 HB3 HIS 106 2.786 3.513 -27.947 890 HD1 HIS 106 HD1 HIS 106 1.869 5.427 -26.530 891 HD2 HIS 106 HD2 HIS 106 3.025 2.118 -24.293 892 HE1 HIS 106 HE1 HIS 106 1.784 6.165 -24.123 893 HE2 HIS 106 HE2 HIS 106 2.210 4.060 -22.802 894 H HIS 107 H HIS 107 2.134 3.151 -29.669 895 HA HIS 107 HA HIS 107 1.638 0.728 -31.263 896 HB2 HIS 107 HB2 HIS 107 1.285 2.207 -33.231 897 HB3 HIS 107 HB3 HIS 107 0.078 2.400 -31.972 898 HD1 HIS 107 HD1 HIS 107 0.223 4.646 -30.557 899 HD2 HIS 107 HD2 HIS 107 2.652 4.476 -33.927 900 HE1 HIS 107 HE1 HIS 107 0.872 7.023 -31.052 901 HE2 HIS 107 HE2 HIS 107 2.192 6.910 -33.193 902 H HIS 108 H HIS 108 3.572 -0.193 -31.155 903 HA HIS 108 HA HIS 108 5.928 1.344 -31.977 904 HB2 HIS 108 HB2 HIS 108 6.027 -0.066 -29.912 905 HB3 HIS 108 HB3 HIS 108 5.753 -1.487 -30.910 906 HD1 HIS 108 HD1 HIS 108 7.784 -2.606 -31.830 907 HD2 HIS 108 HD2 HIS 108 8.560 1.264 -30.515 908 HE1 HIS 108 HE1 HIS 108 10.279 -2.328 -31.971 909 HE2 HIS 108 HE2 HIS 108 10.736 -0.057 -30.975 910 H HIS 109 H HIS 109 4.904 1.433 -34.163 911 HA HIS 109 HA HIS 109 5.652 -0.957 -35.704 912 HB2 HIS 109 HB2 HIS 109 3.141 0.695 -36.040 913 HB3 HIS 109 HB3 HIS 109 3.711 -0.469 -37.231 914 HD1 HIS 109 HD1 HIS 109 3.193 -2.909 -36.816 915 HD2 HIS 109 HD2 HIS 109 2.233 -0.470 -33.586 916 HE1 HIS 109 HE1 HIS 109 1.905 -4.367 -35.220 917 HE2 HIS 109 HE2 HIS 109 1.546 -2.928 -33.183 918 H HIS 110 H HIS 110 6.618 -0.586 -37.658 919 HA HIS 110 HA HIS 110 6.674 2.046 -38.813 920 HB2 HIS 110 HB2 HIS 110 9.176 2.207 -38.805 921 HB3 HIS 110 HB3 HIS 110 8.433 2.422 -37.227 922 HD1 HIS 110 HD1 HIS 110 10.759 0.235 -39.121 923 HD2 HIS 110 HD2 HIS 110 8.928 0.328 -35.392 924 HE1 HIS 110 HE1 HIS 110 11.982 -1.459 -37.725 925 HE2 HIS 110 HE2 HIS 110 11.008 -1.206 -35.413 Start of MODEL 2 1 H1 MET 1 H1 MET 1 5.441 8.544 16.705 2 H2 MET 1 H2 MET 1 6.419 7.182 16.482 3 H3 MET 1 H3 MET 1 4.735 7.040 16.371 4 HA MET 1 HA MET 1 4.702 8.432 14.423 5 HB2 MET 1 HB2 MET 1 6.693 9.771 14.975 6 HB3 MET 1 HB3 MET 1 7.713 8.364 14.724 7 HG2 MET 1 HG2 MET 1 7.948 9.615 12.784 8 HG3 MET 1 HG3 MET 1 6.819 8.339 12.345 9 HE1 MET 1 HE1 MET 1 3.993 9.108 13.194 10 HE2 MET 1 HE2 MET 1 4.394 8.734 11.519 11 HE3 MET 1 HE3 MET 1 3.454 10.177 11.899 12 H ILE 2 H ILE 2 3.821 6.740 13.426 13 HA ILE 2 HA ILE 2 5.327 4.274 13.159 14 HB ILE 2 HB ILE 2 2.942 4.245 13.843 15 HG12 ILE 2 HG12 ILE 2 3.395 2.863 11.194 16 HG13 ILE 2 HG13 ILE 2 4.060 2.303 12.725 17 HG21 ILE 2 HG21 ILE 2 1.194 4.628 12.169 18 HG22 ILE 2 HG22 ILE 2 2.419 5.168 11.023 19 HG23 ILE 2 HG23 ILE 2 2.124 6.090 12.496 20 HD11 ILE 2 HD11 ILE 2 1.141 2.548 12.037 21 HD12 ILE 2 HD12 ILE 2 1.785 2.029 13.594 22 HD13 ILE 2 HD13 ILE 2 2.074 1.056 12.152 23 H THR 3 H THR 3 6.016 3.368 11.326 24 HA THR 3 HA THR 3 6.427 5.063 9.035 25 HB THR 3 HB THR 3 7.438 2.654 8.307 26 HG1 THR 3 HG1 THR 3 7.484 1.350 9.994 27 HG21 THR 3 HG21 THR 3 8.692 4.746 8.442 28 HG22 THR 3 HG22 THR 3 9.582 3.439 9.225 29 HG23 THR 3 HG23 THR 3 8.720 4.628 10.201 30 H PHE 4 H PHE 4 5.830 4.450 6.860 31 HA PHE 4 HA PHE 4 3.110 3.832 6.641 32 HB2 PHE 4 HB2 PHE 4 4.222 5.175 4.963 33 HB3 PHE 4 HB3 PHE 4 5.264 3.826 4.520 34 HD1 PHE 4 HD2 PHE 4 1.577 4.172 5.031 35 HD2 PHE 4 HD1 PHE 4 4.755 3.055 2.430 36 HE1 PHE 4 HE2 PHE 4 -0.060 3.436 3.351 37 HE2 PHE 4 HE1 PHE 4 3.120 2.315 0.749 38 HZ PHE 4 HZ PHE 4 0.712 2.507 1.207 39 H ALA 5 H ALA 5 5.956 1.800 6.079 40 HA ALA 5 HA ALA 5 4.654 -0.445 5.049 41 HB1 ALA 5 HB1 ALA 5 7.118 -0.404 6.788 42 HB2 ALA 5 HB2 ALA 5 7.095 -0.147 5.044 43 HB3 ALA 5 HB3 ALA 5 6.617 -1.707 5.712 44 H ASP 6 H ASP 6 5.561 0.279 8.403 45 HA ASP 6 HA ASP 6 4.352 -1.975 9.569 46 HB2 ASP 6 HB2 ASP 6 5.000 0.733 10.754 47 HB3 ASP 6 HB3 ASP 6 4.501 -0.670 11.695 48 H TYR 7 H TYR 7 3.149 1.249 8.846 49 HA TYR 7 HA TYR 7 0.705 1.009 10.251 50 HB2 TYR 7 HB2 TYR 7 1.581 3.189 9.595 51 HB3 TYR 7 HB3 TYR 7 1.424 2.765 7.894 52 HD1 TYR 7 HD1 TYR 7 -0.504 3.445 10.987 53 HD2 TYR 7 HD2 TYR 7 -0.634 3.060 6.749 54 HE1 TYR 7 HE1 TYR 7 -2.788 4.364 10.976 55 HE2 TYR 7 HE2 TYR 7 -2.915 3.977 6.730 56 HH TYR 7 HH TYR 7 -4.794 4.282 8.183 57 H PHE 8 H PHE 8 1.573 0.447 6.851 58 HA PHE 8 HA PHE 8 -0.993 -0.085 5.885 59 HB2 PHE 8 HB2 PHE 8 0.961 0.274 4.432 60 HB3 PHE 8 HB3 PHE 8 1.639 -1.262 4.958 61 HD1 PHE 8 HD2 PHE 8 -1.162 0.286 3.111 62 HD2 PHE 8 HD1 PHE 8 0.988 -3.291 3.952 63 HE1 PHE 8 HE2 PHE 8 -2.351 -0.855 1.283 64 HE2 PHE 8 HE1 PHE 8 -0.198 -4.438 2.127 65 HZ PHE 8 HZ PHE 8 -1.870 -3.220 0.789 66 H TYR 9 H TYR 9 1.453 -2.327 7.169 67 HA TYR 9 HA TYR 9 -0.144 -4.638 6.819 68 HB2 TYR 9 HB2 TYR 9 2.356 -4.635 7.112 69 HB3 TYR 9 HB3 TYR 9 2.095 -4.289 8.821 70 HD1 TYR 9 HD1 TYR 9 1.749 -6.808 6.173 71 HD2 TYR 9 HD2 TYR 9 1.273 -5.998 10.323 72 HE1 TYR 9 HE1 TYR 9 1.489 -9.214 6.609 73 HE2 TYR 9 HE2 TYR 9 1.009 -8.400 10.770 74 HH TYR 9 HH TYR 9 1.628 -10.807 8.337 75 H GLN 10 H GLN 10 0.422 -2.480 9.563 76 HA GLN 10 HA GLN 10 -1.063 -3.934 11.467 77 HB2 GLN 10 HB2 GLN 10 0.553 -2.048 11.929 78 HB3 GLN 10 HB3 GLN 10 -0.694 -0.932 11.395 79 HG2 GLN 10 HG2 GLN 10 -2.149 -1.671 13.194 80 HG3 GLN 10 HG3 GLN 10 -0.936 -2.842 13.708 81 HE21 GLN 10 HE21 GLN 10 -1.851 0.489 13.639 82 HE22 GLN 10 HE22 GLN 10 -0.643 1.058 14.738 83 H TRP 11 H TRP 11 -1.938 -1.204 9.378 84 HA TRP 11 HA TRP 11 -4.610 -0.915 10.092 85 HB2 TRP 11 HB2 TRP 11 -3.611 0.736 8.701 86 HB3 TRP 11 HB3 TRP 11 -3.138 -0.455 7.497 87 HD1 TRP 11 HD1 TRP 11 -6.355 1.242 8.839 88 HE1 TRP 11 HE1 TRP 11 -8.062 1.318 6.912 89 HE3 TRP 11 HE3 TRP 11 -3.721 -1.379 5.323 90 HZ2 TRP 11 HZ2 TRP 11 -8.255 0.383 4.245 91 HZ3 TRP 11 HZ3 TRP 11 -4.734 -1.744 3.114 92 HH2 TRP 11 HH2 TRP 11 -6.957 -0.879 2.591 93 H TYR 12 H TYR 12 -3.146 -2.978 7.605 94 HA TYR 12 HA TYR 12 -5.503 -4.160 6.678 95 HB2 TYR 12 HB2 TYR 12 -3.623 -4.508 5.335 96 HB3 TYR 12 HB3 TYR 12 -2.626 -5.013 6.694 97 HD1 TYR 12 HD2 TYR 12 -5.762 -6.125 4.962 98 HD2 TYR 12 HD1 TYR 12 -2.100 -7.237 6.822 99 HE1 TYR 12 HE2 TYR 12 -6.229 -8.480 4.452 100 HE2 TYR 12 HE1 TYR 12 -2.556 -9.599 6.321 101 HH TYR 12 HH TYR 12 -5.069 -10.577 4.211 102 H GLU 13 H GLU 13 -3.283 -5.211 9.252 103 HA GLU 13 HA GLU 13 -4.606 -7.663 9.743 104 HB2 GLU 13 HB2 GLU 13 -2.249 -7.187 10.349 105 HB3 GLU 13 HB3 GLU 13 -2.815 -6.093 11.602 106 HG2 GLU 13 HG2 GLU 13 -3.884 -7.922 12.767 107 HG3 GLU 13 HG3 GLU 13 -3.425 -9.036 11.481 108 H VAL 14 H VAL 14 -5.212 -4.427 10.860 109 HA VAL 14 HA VAL 14 -7.013 -5.342 12.958 110 HB VAL 14 HB VAL 14 -6.481 -2.531 11.961 111 HG11 VAL 14 HG11 VAL 14 -7.528 -1.808 14.056 112 HG12 VAL 14 HG12 VAL 14 -7.914 -3.486 14.438 113 HG13 VAL 14 HG13 VAL 14 -8.652 -2.708 13.039 114 HG21 VAL 14 HG21 VAL 14 -4.485 -3.532 12.931 115 HG22 VAL 14 HG22 VAL 14 -5.396 -3.995 14.368 116 HG23 VAL 14 HG23 VAL 14 -5.132 -2.290 14.003 117 H ASN 15 H ASN 15 -7.143 -4.461 9.630 118 HA ASN 15 HA ASN 15 -9.955 -3.658 9.853 119 HB2 ASN 15 HB2 ASN 15 -7.844 -2.475 8.560 120 HB3 ASN 15 HB3 ASN 15 -8.666 -3.318 7.251 121 HD21 ASN 15 HD21 ASN 15 -8.834 -0.794 9.580 122 HD22 ASN 15 HD22 ASN 15 -10.249 -0.022 8.961 123 H LYS 16 H LYS 16 -7.878 -5.651 7.714 124 HA LYS 16 HA LYS 16 -10.363 -6.830 6.654 125 HB2 LYS 16 HB2 LYS 16 -7.684 -6.401 5.348 126 HB3 LYS 16 HB3 LYS 16 -8.897 -7.476 4.671 127 HG2 LYS 16 HG2 LYS 16 -9.235 -5.519 3.507 128 HG3 LYS 16 HG3 LYS 16 -10.452 -5.419 4.780 129 HD2 LYS 16 HD2 LYS 16 -8.916 -3.996 6.089 130 HD3 LYS 16 HD3 LYS 16 -7.760 -4.055 4.758 131 HE2 LYS 16 HE2 LYS 16 -8.986 -1.996 4.620 132 HE3 LYS 16 HE3 LYS 16 -9.484 -3.039 3.287 133 HZ1 LYS 16 HZ1 LYS 16 -10.975 -2.692 5.834 134 HZ2 LYS 16 HZ2 LYS 16 -11.469 -3.626 4.504 135 HZ3 LYS 16 HZ3 LYS 16 -11.362 -1.937 4.369 136 H LEU 17 H LEU 17 -7.712 -7.594 8.570 137 HA LEU 17 HA LEU 17 -6.710 -9.959 7.638 138 HB2 LEU 17 HB2 LEU 17 -5.876 -8.754 9.620 139 HB3 LEU 17 HB3 LEU 17 -7.245 -9.352 10.539 140 HG LEU 17 HG LEU 17 -6.429 -11.691 10.007 141 HD11 LEU 17 HD11 LEU 17 -3.965 -10.168 9.180 142 HD12 LEU 17 HD12 LEU 17 -4.995 -11.139 8.128 143 HD13 LEU 17 HD13 LEU 17 -4.065 -11.914 9.410 144 HD21 LEU 17 HD21 LEU 17 -6.135 -10.674 12.198 145 HD22 LEU 17 HD22 LEU 17 -4.649 -9.898 11.652 146 HD23 LEU 17 HD23 LEU 17 -4.734 -11.656 11.770 147 HA PRO 18 HA PRO 18 -9.924 -12.699 9.794 148 HB2 PRO 18 HB2 PRO 18 -12.074 -11.694 11.044 149 HB3 PRO 18 HB3 PRO 18 -10.492 -11.762 11.831 150 HG2 PRO 18 HG2 PRO 18 -11.855 -9.449 10.511 151 HG3 PRO 18 HG3 PRO 18 -10.952 -9.492 12.035 152 HD2 PRO 18 HD2 PRO 18 -9.905 -8.612 9.663 153 HD3 PRO 18 HD3 PRO 18 -8.931 -9.292 10.982 154 H HIS 19 H HIS 19 -10.632 -10.348 7.563 155 HA HIS 19 HA HIS 19 -13.264 -11.497 6.915 156 HB2 HIS 19 HB2 HIS 19 -12.115 -8.832 6.069 157 HB3 HIS 19 HB3 HIS 19 -13.737 -9.418 5.712 158 HD2 HIS 19 HD2 HIS 19 -11.855 -7.473 8.368 159 HE1 HIS 19 HE1 HIS 19 -15.608 -8.504 10.017 160 HE2 HIS 19 HE2 HIS 19 -13.619 -6.942 10.189 161 H VAL 20 H VAL 20 -10.052 -10.973 5.713 162 HA VAL 20 HA VAL 20 -10.890 -11.668 2.996 163 HB VAL 20 HB VAL 20 -8.639 -11.046 2.277 164 HG11 VAL 20 HG11 VAL 20 -10.368 -9.330 2.384 165 HG12 VAL 20 HG12 VAL 20 -8.778 -8.650 2.735 166 HG13 VAL 20 HG13 VAL 20 -9.912 -8.964 4.049 167 HG21 VAL 20 HG21 VAL 20 -8.136 -10.409 5.182 168 HG22 VAL 20 HG22 VAL 20 -7.052 -10.032 3.843 169 HG23 VAL 20 HG23 VAL 20 -7.389 -11.712 4.257 170 H SER 21 H SER 21 -10.218 -13.436 1.921 171 HA SER 21 HA SER 21 -9.294 -15.671 3.483 172 HB2 SER 21 HB2 SER 21 -9.803 -15.498 0.501 173 HB3 SER 21 HB3 SER 21 -9.674 -16.970 1.464 174 HG SER 21 HG SER 21 -11.587 -15.016 2.144 175 H GLU 22 H GLU 22 -7.593 -17.126 2.301 176 HA GLU 22 HA GLU 22 -5.116 -15.874 2.581 177 HB2 GLU 22 HB2 GLU 22 -4.204 -17.941 1.440 178 HB3 GLU 22 HB3 GLU 22 -5.197 -18.224 2.861 179 HG2 GLU 22 HG2 GLU 22 -6.497 -18.277 0.192 180 HG3 GLU 22 HG3 GLU 22 -5.481 -19.637 0.664 181 H SER 23 H SER 23 -7.044 -16.467 -0.297 182 HA SER 23 HA SER 23 -5.233 -15.802 -2.281 183 HB2 SER 23 HB2 SER 23 -8.171 -15.089 -2.254 184 HB3 SER 23 HB3 SER 23 -7.159 -15.389 -3.669 185 HG SER 23 HG SER 23 -7.512 -17.436 -3.436 186 H THR 24 H THR 24 -7.279 -13.689 -0.311 187 HA THR 24 HA THR 24 -6.425 -11.301 -1.660 188 HB THR 24 HB THR 24 -7.865 -11.491 0.989 189 HG1 THR 24 HG1 THR 24 -9.130 -11.242 -1.551 190 HG21 THR 24 HG21 THR 24 -7.819 -9.363 -1.159 191 HG22 THR 24 HG22 THR 24 -7.029 -9.265 0.416 192 HG23 THR 24 HG23 THR 24 -8.789 -9.312 0.313 193 H LYS 25 H LYS 25 -5.531 -13.091 1.219 194 HA LYS 25 HA LYS 25 -3.973 -11.139 2.496 195 HB2 LYS 25 HB2 LYS 25 -3.544 -14.135 2.454 196 HB3 LYS 25 HB3 LYS 25 -2.815 -13.017 3.599 197 HG2 LYS 25 HG2 LYS 25 -5.106 -12.401 4.350 198 HG3 LYS 25 HG3 LYS 25 -5.737 -13.674 3.307 199 HD2 LYS 25 HD2 LYS 25 -5.604 -14.595 5.482 200 HD3 LYS 25 HD3 LYS 25 -4.256 -15.279 4.574 201 HE2 LYS 25 HE2 LYS 25 -3.852 -12.807 6.208 202 HE3 LYS 25 HE3 LYS 25 -3.898 -14.379 7.002 203 HZ1 LYS 25 HZ1 LYS 25 -2.089 -15.100 5.528 204 HZ2 LYS 25 HZ2 LYS 25 -1.643 -13.778 6.488 205 HZ3 LYS 25 HZ3 LYS 25 -2.012 -13.546 4.851 206 H ARG 26 H ARG 26 -3.219 -13.413 -0.085 207 HA ARG 26 HA ARG 26 -0.461 -12.994 -0.236 208 HB2 ARG 26 HB2 ARG 26 -2.373 -13.590 -2.507 209 HB3 ARG 26 HB3 ARG 26 -0.628 -13.806 -2.550 210 HG2 ARG 26 HG2 ARG 26 -2.553 -15.279 -0.760 211 HG3 ARG 26 HG3 ARG 26 -1.754 -15.925 -2.195 212 HD2 ARG 26 HD2 ARG 26 0.262 -16.124 -1.153 213 HD3 ARG 26 HD3 ARG 26 -0.031 -14.753 -0.084 214 HE ARG 26 HE ARG 26 -1.230 -17.428 0.291 215 HH11 ARG 26 HH11 ARG 26 0.141 -14.460 1.520 216 HH12 ARG 26 HH12 ARG 26 -0.064 -14.888 3.189 217 HH21 ARG 26 HH21 ARG 26 -1.484 -18.025 2.506 218 HH22 ARG 26 HH22 ARG 26 -0.971 -16.916 3.748 219 H HIS 27 H HIS 27 -3.145 -11.170 -1.632 220 HA HIS 27 HA HIS 27 -1.657 -9.424 -3.248 221 HB2 HIS 27 HB2 HIS 27 -4.321 -9.194 -1.874 222 HB3 HIS 27 HB3 HIS 27 -3.640 -7.816 -2.727 223 HD2 HIS 27 HD2 HIS 27 -4.790 -11.484 -3.574 224 HE1 HIS 27 HE1 HIS 27 -5.038 -9.027 -7.014 225 HE2 HIS 27 HE2 HIS 27 -5.620 -11.290 -6.036 226 H TYR 28 H TYR 28 -2.843 -8.978 0.077 227 HA TYR 28 HA TYR 28 -1.684 -6.433 0.420 228 HB2 TYR 28 HB2 TYR 28 -2.767 -8.485 2.322 229 HB3 TYR 28 HB3 TYR 28 -1.975 -7.037 2.931 230 HD1 TYR 28 HD1 TYR 28 -2.980 -4.842 2.615 231 HD2 TYR 28 HD2 TYR 28 -4.947 -8.366 1.265 232 HE1 TYR 28 HE1 TYR 28 -5.080 -3.585 2.416 233 HE2 TYR 28 HE2 TYR 28 -7.056 -7.114 1.061 234 HH TYR 28 HH TYR 28 -7.214 -3.743 1.164 235 H GLU 29 H GLU 29 -0.519 -9.671 1.279 236 HA GLU 29 HA GLU 29 1.717 -8.697 2.744 237 HB2 GLU 29 HB2 GLU 29 1.111 -11.426 1.607 238 HB3 GLU 29 HB3 GLU 29 2.495 -11.076 2.638 239 HG2 GLU 29 HG2 GLU 29 1.031 -10.413 4.444 240 HG3 GLU 29 HG3 GLU 29 -0.380 -10.632 3.413 241 H SER 30 H SER 30 1.235 -9.555 -0.630 242 HA SER 30 HA SER 30 4.010 -9.377 -1.306 243 HB2 SER 30 HB2 SER 30 1.576 -9.110 -3.090 244 HB3 SER 30 HB3 SER 30 3.236 -9.348 -3.637 245 HG SER 30 HG SER 30 1.497 -11.139 -2.347 246 H ALA 31 H ALA 31 1.265 -7.154 -1.306 247 HA ALA 31 HA ALA 31 2.569 -4.923 -2.416 248 HB1 ALA 31 HB1 ALA 31 0.818 -3.596 -1.348 249 HB2 ALA 31 HB2 ALA 31 0.361 -4.981 -0.356 250 HB3 ALA 31 HB3 ALA 31 0.139 -5.038 -2.104 251 H TYR 32 H TYR 32 2.237 -6.065 0.906 252 HA TYR 32 HA TYR 32 3.473 -3.968 2.236 253 HB2 TYR 32 HB2 TYR 32 2.251 -5.619 3.467 254 HB3 TYR 32 HB3 TYR 32 3.309 -6.907 2.905 255 HD1 TYR 32 HD1 TYR 32 3.621 -3.638 4.709 256 HD2 TYR 32 HD2 TYR 32 4.843 -7.703 4.416 257 HE1 TYR 32 HE1 TYR 32 5.044 -3.347 6.690 258 HE2 TYR 32 HE2 TYR 32 6.268 -7.421 6.398 259 HH TYR 32 HH TYR 32 6.063 -4.733 8.449 260 H LYS 33 H LYS 33 4.968 -6.911 0.860 261 HA LYS 33 HA LYS 33 7.539 -6.307 1.888 262 HB2 LYS 33 HB2 LYS 33 8.392 -8.045 0.411 263 HB3 LYS 33 HB3 LYS 33 6.937 -8.584 1.235 264 HG2 LYS 33 HG2 LYS 33 5.630 -8.283 -0.750 265 HG3 LYS 33 HG3 LYS 33 6.996 -7.547 -1.590 266 HD2 LYS 33 HD2 LYS 33 6.939 -10.375 -0.540 267 HD3 LYS 33 HD3 LYS 33 6.621 -9.918 -2.216 268 HE2 LYS 33 HE2 LYS 33 8.865 -8.959 -2.372 269 HE3 LYS 33 HE3 LYS 33 9.176 -9.410 -0.697 270 HZ1 LYS 33 HZ1 LYS 33 8.575 -11.331 -2.886 271 HZ2 LYS 33 HZ2 LYS 33 8.977 -11.721 -1.286 272 HZ3 LYS 33 HZ3 LYS 33 10.123 -10.983 -2.288 273 H HIS 34 H HIS 34 5.925 -5.471 -1.146 274 HA HIS 34 HA HIS 34 8.241 -4.327 -2.354 275 HB2 HIS 34 HB2 HIS 34 5.295 -4.091 -2.880 276 HB3 HIS 34 HB3 HIS 34 6.433 -3.040 -3.713 277 HD1 HIS 34 HD1 HIS 34 8.369 -4.413 -5.124 278 HD2 HIS 34 HD2 HIS 34 4.921 -6.483 -4.046 279 HE1 HIS 34 HE1 HIS 34 8.244 -6.434 -6.639 280 H ILE 35 H ILE 35 5.748 -3.121 -0.213 281 HA ILE 35 HA ILE 35 6.446 -0.383 -0.343 282 HB ILE 35 HB ILE 35 5.072 -1.981 1.821 283 HG12 ILE 35 HG12 ILE 35 4.002 -0.014 -0.218 284 HG13 ILE 35 HG13 ILE 35 3.894 -1.767 -0.351 285 HG21 ILE 35 HG21 ILE 35 6.135 -0.045 2.835 286 HG22 ILE 35 HG22 ILE 35 4.386 0.166 2.787 287 HG23 ILE 35 HG23 ILE 35 5.407 1.011 1.624 288 HD11 ILE 35 HD11 ILE 35 2.621 -0.069 1.783 289 HD12 ILE 35 HD12 ILE 35 2.524 -1.828 1.671 290 HD13 ILE 35 HD13 ILE 35 1.802 -0.823 0.415 291 H LYS 36 H LYS 36 7.378 -2.980 1.887 292 HA LYS 36 HA LYS 36 9.118 -1.480 3.504 293 HB2 LYS 36 HB2 LYS 36 8.307 -3.710 4.122 294 HB3 LYS 36 HB3 LYS 36 9.201 -4.420 2.786 295 HG2 LYS 36 HG2 LYS 36 11.304 -3.673 3.836 296 HG3 LYS 36 HG3 LYS 36 10.371 -3.057 5.202 297 HD2 LYS 36 HD2 LYS 36 10.450 -5.931 4.276 298 HD3 LYS 36 HD3 LYS 36 11.316 -5.277 5.667 299 HE2 LYS 36 HE2 LYS 36 9.188 -4.678 6.711 300 HE3 LYS 36 HE3 LYS 36 8.322 -5.317 5.316 301 HZ1 LYS 36 HZ1 LYS 36 10.102 -6.931 7.064 302 HZ2 LYS 36 HZ2 LYS 36 9.112 -7.506 5.810 303 HZ3 LYS 36 HZ3 LYS 36 8.415 -6.867 7.216 304 H ASP 37 H ASP 37 9.569 -3.150 0.474 305 HA ASP 37 HA ASP 37 12.355 -3.040 0.278 306 HB2 ASP 37 HB2 ASP 37 11.096 -4.457 -1.191 307 HB3 ASP 37 HB3 ASP 37 10.194 -3.089 -1.832 308 H HIS 38 H HIS 38 9.898 -0.778 -0.966 309 HA HIS 38 HA HIS 38 11.980 1.019 -1.896 310 HB2 HIS 38 HB2 HIS 38 9.010 0.915 -2.221 311 HB3 HIS 38 HB3 HIS 38 9.861 2.426 -2.520 312 HD1 HIS 38 HD1 HIS 38 9.110 -0.844 -4.033 313 HD2 HIS 38 HD2 HIS 38 11.781 2.278 -4.654 314 HE1 HIS 38 HE1 HIS 38 9.973 -1.144 -6.375 315 HE2 HIS 38 HE2 HIS 38 11.754 0.623 -6.641 316 H PHE 39 H PHE 39 9.213 1.273 0.346 317 HA PHE 39 HA PHE 39 10.109 3.908 1.153 318 HB2 PHE 39 HB2 PHE 39 7.703 2.267 1.958 319 HB3 PHE 39 HB3 PHE 39 8.039 3.887 2.560 320 HD1 PHE 39 HD1 PHE 39 8.372 5.723 0.746 321 HD2 PHE 39 HD2 PHE 39 6.410 2.006 0.063 322 HE1 PHE 39 HE1 PHE 39 7.215 6.696 -1.196 323 HE2 PHE 39 HE2 PHE 39 5.252 2.972 -1.882 324 HZ PHE 39 HZ PHE 39 5.652 5.320 -2.512 325 H ARG 40 H ARG 40 12.106 2.529 1.866 326 HA ARG 40 HA ARG 40 12.029 1.191 4.353 327 HB2 ARG 40 HB2 ARG 40 14.333 2.701 3.106 328 HB3 ARG 40 HB3 ARG 40 14.448 1.495 4.382 329 HG2 ARG 40 HG2 ARG 40 13.894 -0.259 2.919 330 HG3 ARG 40 HG3 ARG 40 13.317 0.857 1.675 331 HD2 ARG 40 HD2 ARG 40 16.171 0.618 2.630 332 HD3 ARG 40 HD3 ARG 40 15.533 -0.078 1.138 333 HE ARG 40 HE ARG 40 15.200 2.155 0.305 334 HH11 ARG 40 HH11 ARG 40 17.102 1.916 3.243 335 HH12 ARG 40 HH12 ARG 40 17.833 3.482 3.044 336 HH21 ARG 40 HH21 ARG 40 16.154 4.228 0.059 337 HH22 ARG 40 HH22 ARG 40 17.306 4.778 1.241 338 H HIS 41 H HIS 41 11.408 2.081 6.199 339 HA HIS 41 HA HIS 41 11.321 3.444 8.017 340 HB2 HIS 41 HB2 HIS 41 13.666 4.881 6.753 341 HB3 HIS 41 HB3 HIS 41 13.146 5.023 8.428 342 HD1 HIS 41 HD1 HIS 41 15.943 3.903 7.140 343 HD2 HIS 41 HD2 HIS 41 12.918 1.739 9.007 344 HE1 HIS 41 HE1 HIS 41 17.037 1.811 8.008 345 HE2 HIS 41 HE2 HIS 41 15.208 0.537 9.189 346 H LYS 42 H LYS 42 10.016 4.106 5.379 347 HA LYS 42 HA LYS 42 9.876 6.983 5.347 348 HB2 LYS 42 HB2 LYS 42 9.481 5.133 3.436 349 HB3 LYS 42 HB3 LYS 42 7.818 5.364 3.955 350 HG2 LYS 42 HG2 LYS 42 8.514 6.789 2.031 351 HG3 LYS 42 HG3 LYS 42 7.888 7.687 3.419 352 HD2 LYS 42 HD2 LYS 42 10.006 8.412 4.056 353 HD3 LYS 42 HD3 LYS 42 10.819 7.177 3.102 354 HE2 LYS 42 HE2 LYS 42 11.098 9.336 2.071 355 HE3 LYS 42 HE3 LYS 42 10.095 8.313 1.050 356 HZ1 LYS 42 HZ1 LYS 42 9.315 10.641 2.686 357 HZ2 LYS 42 HZ2 LYS 42 8.167 9.492 2.210 358 HZ3 LYS 42 HZ3 LYS 42 9.033 10.351 1.031 359 H LEU 43 H LEU 43 8.693 8.124 6.685 360 HA LEU 43 HA LEU 43 6.834 6.938 8.485 361 HB2 LEU 43 HB2 LEU 43 7.270 9.866 7.887 362 HB3 LEU 43 HB3 LEU 43 6.487 9.198 9.306 363 HG LEU 43 HG LEU 43 9.404 8.902 8.591 364 HD11 LEU 43 HD11 LEU 43 9.786 10.310 10.554 365 HD12 LEU 43 HD12 LEU 43 8.042 10.496 10.756 366 HD13 LEU 43 HD13 LEU 43 8.838 11.148 9.324 367 HD21 LEU 43 HD21 LEU 43 8.578 6.919 9.730 368 HD22 LEU 43 HD22 LEU 43 7.867 7.921 10.997 369 HD23 LEU 43 HD23 LEU 43 9.620 7.856 10.801 370 H LEU 44 H LEU 44 4.580 7.308 8.611 371 HA LEU 44 HA LEU 44 3.222 7.113 6.155 372 HB2 LEU 44 HB2 LEU 44 2.374 6.177 8.258 373 HB3 LEU 44 HB3 LEU 44 2.146 7.795 8.895 374 HG LEU 44 HG LEU 44 0.495 8.199 7.042 375 HD11 LEU 44 HD11 LEU 44 0.836 5.232 6.658 376 HD12 LEU 44 HD12 LEU 44 1.226 6.500 5.494 377 HD13 LEU 44 HD13 LEU 44 -0.453 6.209 5.951 378 HD21 LEU 44 HD21 LEU 44 -0.232 7.682 9.301 379 HD22 LEU 44 HD22 LEU 44 -0.095 5.955 8.966 380 HD23 LEU 44 HD23 LEU 44 -1.299 6.925 8.118 381 H LYS 45 H LYS 45 3.985 9.839 8.171 382 HA LYS 45 HA LYS 45 2.249 11.596 6.641 383 HB2 LYS 45 HB2 LYS 45 3.104 13.342 8.257 384 HB3 LYS 45 HB3 LYS 45 2.183 12.025 8.965 385 HG2 LYS 45 HG2 LYS 45 3.924 12.246 10.441 386 HG3 LYS 45 HG3 LYS 45 4.504 10.959 9.390 387 HD2 LYS 45 HD2 LYS 45 6.263 12.598 9.861 388 HD3 LYS 45 HD3 LYS 45 5.853 12.569 8.144 389 HE2 LYS 45 HE2 LYS 45 4.493 14.558 8.407 390 HE3 LYS 45 HE3 LYS 45 4.784 14.554 10.144 391 HZ1 LYS 45 HZ1 LYS 45 6.900 14.880 8.081 392 HZ2 LYS 45 HZ2 LYS 45 7.096 14.998 9.763 393 HZ3 LYS 45 HZ3 LYS 45 6.171 16.154 8.930 394 H ASP 46 H ASP 46 5.111 10.281 6.013 395 HA ASP 46 HA ASP 46 6.014 12.674 4.560 396 HB2 ASP 46 HB2 ASP 46 7.548 12.158 6.513 397 HB3 ASP 46 HB3 ASP 46 7.924 10.631 5.712 398 H ILE 47 H ILE 47 4.592 11.502 2.952 399 HA ILE 47 HA ILE 47 6.509 10.130 1.239 400 HB ILE 47 HB ILE 47 3.690 9.156 1.707 401 HG12 ILE 47 HG12 ILE 47 6.425 7.908 1.997 402 HG13 ILE 47 HG13 ILE 47 5.312 8.321 3.294 403 HG21 ILE 47 HG21 ILE 47 4.100 7.538 -0.095 404 HG22 ILE 47 HG22 ILE 47 5.637 8.327 -0.446 405 HG23 ILE 47 HG23 ILE 47 4.123 9.197 -0.694 406 HD11 ILE 47 HD11 ILE 47 4.831 6.245 1.190 407 HD12 ILE 47 HD12 ILE 47 3.788 6.616 2.564 408 HD13 ILE 47 HD13 ILE 47 5.398 5.939 2.832 409 H LYS 48 H LYS 48 6.627 10.975 -0.691 410 HA LYS 48 HA LYS 48 4.842 13.189 -1.330 411 HB2 LYS 48 HB2 LYS 48 7.349 12.205 -2.711 412 HB3 LYS 48 HB3 LYS 48 6.470 13.670 -3.122 413 HG2 LYS 48 HG2 LYS 48 7.060 14.706 -1.077 414 HG3 LYS 48 HG3 LYS 48 7.673 13.190 -0.411 415 HD2 LYS 48 HD2 LYS 48 9.441 13.171 -2.115 416 HD3 LYS 48 HD3 LYS 48 8.833 14.698 -2.754 417 HE2 LYS 48 HE2 LYS 48 9.379 15.840 -0.723 418 HE3 LYS 48 HE3 LYS 48 9.783 14.322 0.080 419 HZ1 LYS 48 HZ1 LYS 48 11.228 15.354 -2.298 420 HZ2 LYS 48 HZ2 LYS 48 11.678 14.061 -1.299 421 HZ3 LYS 48 HZ3 LYS 48 11.721 15.647 -0.701 422 H ARG 49 H ARG 49 3.819 13.394 -3.345 423 HA ARG 49 HA ARG 49 2.474 11.171 -4.333 424 HB2 ARG 49 HB2 ARG 49 1.973 12.705 -6.309 425 HB3 ARG 49 HB3 ARG 49 1.509 13.290 -4.718 426 HG2 ARG 49 HG2 ARG 49 3.544 14.659 -4.642 427 HG3 ARG 49 HG3 ARG 49 3.972 14.094 -6.255 428 HD2 ARG 49 HD2 ARG 49 1.405 15.529 -5.618 429 HD3 ARG 49 HD3 ARG 49 2.870 16.348 -6.156 430 HE ARG 49 HE ARG 49 1.397 14.361 -7.763 431 HH11 ARG 49 HH11 ARG 49 3.339 17.246 -7.444 432 HH12 ARG 49 HH12 ARG 49 3.373 17.578 -9.152 433 HH21 ARG 49 HH21 ARG 49 1.392 14.827 -10.028 434 HH22 ARG 49 HH22 ARG 49 2.264 16.210 -10.615 435 H THR 50 H THR 50 5.469 12.693 -5.431 436 HA THR 50 HA THR 50 5.689 11.185 -7.825 437 HB THR 50 HB THR 50 8.200 12.118 -6.614 438 HG1 THR 50 HG1 THR 50 6.813 14.290 -7.518 439 HG21 THR 50 HG21 THR 50 7.995 11.454 -8.966 440 HG22 THR 50 HG22 THR 50 8.451 13.152 -8.825 441 HG23 THR 50 HG23 THR 50 6.788 12.715 -9.220 442 H GLU 51 H GLU 51 6.616 10.598 -4.504 443 HA GLU 51 HA GLU 51 8.437 8.468 -5.074 444 HB2 GLU 51 HB2 GLU 51 6.925 9.061 -2.515 445 HB3 GLU 51 HB3 GLU 51 8.304 7.981 -2.671 446 HG2 GLU 51 HG2 GLU 51 9.698 9.894 -3.341 447 HG3 GLU 51 HG3 GLU 51 8.314 10.960 -3.109 448 H TYR 52 H TYR 52 5.009 8.745 -4.363 449 HA TYR 52 HA TYR 52 4.493 5.940 -4.331 450 HB2 TYR 52 HB2 TYR 52 2.991 7.647 -3.303 451 HB3 TYR 52 HB3 TYR 52 2.579 8.214 -4.918 452 HD1 TYR 52 HD2 TYR 52 2.832 4.858 -3.294 453 HD2 TYR 52 HD1 TYR 52 0.458 7.573 -5.545 454 HE1 TYR 52 HE2 TYR 52 1.040 3.184 -3.407 455 HE2 TYR 52 HE1 TYR 52 -1.348 5.906 -5.663 456 HH TYR 52 HH TYR 52 -1.418 3.136 -3.731 457 H GLN 53 H GLN 53 4.273 8.489 -6.776 458 HA GLN 53 HA GLN 53 3.412 7.003 -8.964 459 HB2 GLN 53 HB2 GLN 53 3.726 9.482 -8.883 460 HB3 GLN 53 HB3 GLN 53 5.463 9.236 -8.944 461 HG2 GLN 53 HG2 GLN 53 3.712 8.155 -11.110 462 HG3 GLN 53 HG3 GLN 53 4.160 9.858 -11.091 463 HE21 GLN 53 HE21 GLN 53 4.814 7.854 -13.036 464 HE22 GLN 53 HE22 GLN 53 6.540 7.741 -13.084 465 H LYS 54 H LYS 54 6.678 7.569 -7.745 466 HA LYS 54 HA LYS 54 8.149 6.052 -9.545 467 HB2 LYS 54 HB2 LYS 54 9.048 7.554 -7.752 468 HB3 LYS 54 HB3 LYS 54 8.646 6.318 -6.573 469 HG2 LYS 54 HG2 LYS 54 10.773 5.687 -6.862 470 HG3 LYS 54 HG3 LYS 54 10.152 4.890 -8.309 471 HD2 LYS 54 HD2 LYS 54 11.204 7.710 -8.271 472 HD3 LYS 54 HD3 LYS 54 12.193 6.304 -8.660 473 HE2 LYS 54 HE2 LYS 54 9.665 7.019 -10.129 474 HE3 LYS 54 HE3 LYS 54 11.267 7.557 -10.632 475 HZ1 LYS 54 HZ1 LYS 54 10.754 5.617 -11.862 476 HZ2 LYS 54 HZ2 LYS 54 10.268 4.762 -10.484 477 HZ3 LYS 54 HZ3 LYS 54 11.900 5.152 -10.702 478 H PHE 55 H PHE 55 6.799 5.074 -6.410 479 HA PHE 55 HA PHE 55 7.560 2.411 -6.390 480 HB2 PHE 55 HB2 PHE 55 6.658 3.480 -4.426 481 HB3 PHE 55 HB3 PHE 55 5.118 3.764 -5.228 482 HD1 PHE 55 HD2 PHE 55 7.363 1.047 -4.054 483 HD2 PHE 55 HD1 PHE 55 3.395 2.242 -5.013 484 HE1 PHE 55 HE2 PHE 55 6.510 -1.076 -3.157 485 HE2 PHE 55 HE1 PHE 55 2.530 0.119 -4.118 486 HZ PHE 55 HZ PHE 55 4.093 -1.545 -3.186 487 H LEU 56 H LEU 56 4.570 3.840 -7.692 488 HA LEU 56 HA LEU 56 3.405 1.391 -8.466 489 HB2 LEU 56 HB2 LEU 56 2.955 4.187 -9.491 490 HB3 LEU 56 HB3 LEU 56 1.975 2.807 -9.948 491 HG LEU 56 HG LEU 56 2.245 3.956 -7.169 492 HD11 LEU 56 HD11 LEU 56 -0.058 3.917 -9.106 493 HD12 LEU 56 HD12 LEU 56 0.911 5.324 -8.676 494 HD13 LEU 56 HD13 LEU 56 -0.102 4.546 -7.459 495 HD21 LEU 56 HD21 LEU 56 0.597 1.635 -8.168 496 HD22 LEU 56 HD22 LEU 56 0.509 2.339 -6.554 497 HD23 LEU 56 HD23 LEU 56 1.986 1.536 -7.087 498 H ASN 57 H ASN 57 5.508 3.653 -10.188 499 HA ASN 57 HA ASN 57 5.296 2.450 -12.722 500 HB2 ASN 57 HB2 ASN 57 7.334 4.215 -11.433 501 HB3 ASN 57 HB3 ASN 57 7.723 3.438 -12.962 502 HD21 ASN 57 HD21 ASN 57 4.495 4.467 -12.067 503 HD22 ASN 57 HD22 ASN 57 4.383 5.749 -13.222 504 H GLU 58 H GLU 58 7.618 1.918 -10.094 505 HA GLU 58 HA GLU 58 9.137 -0.056 -11.417 506 HB2 GLU 58 HB2 GLU 58 8.712 0.001 -8.436 507 HB3 GLU 58 HB3 GLU 58 10.136 -0.518 -9.323 508 HG2 GLU 58 HG2 GLU 58 9.150 2.309 -9.013 509 HG3 GLU 58 HG3 GLU 58 10.536 1.582 -8.208 510 H TYR 59 H TYR 59 6.240 -0.179 -9.448 511 HA TYR 59 HA TYR 59 6.150 -2.996 -9.134 512 HB2 TYR 59 HB2 TYR 59 4.958 -1.313 -7.700 513 HB3 TYR 59 HB3 TYR 59 3.835 -1.050 -9.028 514 HD1 TYR 59 HD2 TYR 59 4.960 -3.412 -6.458 515 HD2 TYR 59 HD1 TYR 59 2.125 -2.679 -9.545 516 HE1 TYR 59 HE2 TYR 59 3.585 -5.272 -5.630 517 HE2 TYR 59 HE1 TYR 59 0.742 -4.537 -8.722 518 HH TYR 59 HH TYR 59 1.187 -5.973 -5.721 519 H GLY 60 H GLY 60 4.723 -0.753 -11.461 520 HA2 GLY 60 HA2 GLY 60 3.138 -2.748 -12.780 521 HA3 GLY 60 HA3 GLY 60 3.433 -1.108 -13.336 522 H LEU 61 H LEU 61 6.420 -2.173 -12.821 523 HA LEU 61 HA LEU 61 6.866 -2.817 -15.600 524 HB2 LEU 61 HB2 LEU 61 8.728 -2.610 -13.232 525 HB3 LEU 61 HB3 LEU 61 9.266 -3.001 -14.851 526 HG LEU 61 HG LEU 61 7.871 -0.435 -14.099 527 HD11 LEU 61 HD11 LEU 61 10.075 0.601 -14.290 528 HD12 LEU 61 HD12 LEU 61 10.802 -0.984 -14.544 529 HD13 LEU 61 HD13 LEU 61 10.041 -0.600 -13.002 530 HD21 LEU 61 HD21 LEU 61 9.328 -1.266 -16.606 531 HD22 LEU 61 HD22 LEU 61 8.632 0.325 -16.291 532 HD23 LEU 61 HD23 LEU 61 7.582 -1.086 -16.434 533 H THR 62 H THR 62 6.114 -4.569 -12.832 534 HA THR 62 HA THR 62 6.953 -7.047 -14.131 535 HB THR 62 HB THR 62 8.777 -6.575 -12.633 536 HG1 THR 62 HG1 THR 62 7.035 -8.670 -12.050 537 HG21 THR 62 HG21 THR 62 6.697 -6.320 -10.466 538 HG22 THR 62 HG22 THR 62 7.670 -5.013 -11.147 539 HG23 THR 62 HG23 THR 62 8.442 -6.299 -10.216 540 H HIS 63 H HIS 63 4.393 -5.506 -13.400 541 HA HIS 63 HA HIS 63 2.958 -7.861 -12.462 542 HB2 HIS 63 HB2 HIS 63 2.921 -5.203 -11.054 543 HB3 HIS 63 HB3 HIS 63 1.561 -6.315 -10.949 544 HD1 HIS 63 HD1 HIS 63 4.969 -5.722 -9.640 545 HD2 HIS 63 HD2 HIS 63 2.135 -8.759 -9.597 546 HE1 HIS 63 HE1 HIS 63 5.707 -7.310 -7.834 547 HE2 HIS 63 HE2 HIS 63 4.074 -9.230 -7.953 548 H SER 64 H SER 64 0.650 -7.736 -12.806 549 HA SER 64 HA SER 64 0.069 -6.546 -15.354 550 HB2 SER 64 HB2 SER 64 -1.773 -8.032 -13.467 551 HB3 SER 64 HB3 SER 64 -2.034 -7.752 -15.189 552 HG SER 64 HG SER 64 0.309 -8.871 -15.037 553 H TYR 65 H TYR 65 -1.937 -5.299 -15.736 554 HA TYR 65 HA TYR 65 -1.908 -2.904 -14.296 555 HB2 TYR 65 HB2 TYR 65 -2.652 -2.982 -16.610 556 HB3 TYR 65 HB3 TYR 65 -4.036 -3.976 -16.158 557 HD1 TYR 65 HD1 TYR 65 -2.520 -0.618 -15.716 558 HD2 TYR 65 HD2 TYR 65 -6.047 -2.981 -15.412 559 HE1 TYR 65 HE1 TYR 65 -3.839 1.413 -15.293 560 HE2 TYR 65 HE2 TYR 65 -7.375 -0.954 -14.994 561 HH TYR 65 HH TYR 65 -6.198 2.161 -15.529 562 H GLU 66 H GLU 66 -4.173 -5.643 -14.103 563 HA GLU 66 HA GLU 66 -5.896 -4.341 -12.264 564 HB2 GLU 66 HB2 GLU 66 -5.516 -7.210 -13.031 565 HB3 GLU 66 HB3 GLU 66 -6.563 -6.774 -11.686 566 HG2 GLU 66 HG2 GLU 66 -7.536 -5.098 -13.494 567 HG3 GLU 66 HG3 GLU 66 -6.916 -6.339 -14.586 568 H THR 67 H THR 67 -2.955 -6.157 -11.876 569 HA THR 67 HA THR 67 -3.234 -6.672 -9.105 570 HB THR 67 HB THR 67 -0.632 -6.404 -10.617 571 HG1 THR 67 HG1 THR 67 -2.687 -8.292 -10.788 572 HG21 THR 67 HG21 THR 67 -0.420 -6.658 -8.190 573 HG22 THR 67 HG22 THR 67 0.131 -8.113 -9.020 574 HG23 THR 67 HG23 THR 67 -1.452 -8.088 -8.242 575 H ILE 68 H ILE 68 -1.611 -4.105 -10.961 576 HA ILE 68 HA ILE 68 -0.796 -2.665 -8.637 577 HB ILE 68 HB ILE 68 0.383 -2.414 -10.787 578 HG12 ILE 68 HG12 ILE 68 -0.837 0.157 -9.763 579 HG13 ILE 68 HG13 ILE 68 0.561 -0.664 -9.074 580 HG21 ILE 68 HG21 ILE 68 -0.571 -1.010 -12.564 581 HG22 ILE 68 HG22 ILE 68 -2.108 -0.989 -11.698 582 HG23 ILE 68 HG23 ILE 68 -1.470 -2.509 -12.325 583 HD11 ILE 68 HD11 ILE 68 1.230 1.224 -10.437 584 HD12 ILE 68 HD12 ILE 68 0.395 0.532 -11.829 585 HD13 ILE 68 HD13 ILE 68 1.797 -0.291 -11.142 586 H ARG 69 H ARG 69 -3.621 -2.609 -10.734 587 HA ARG 69 HA ARG 69 -4.884 -0.303 -9.808 588 HB2 ARG 69 HB2 ARG 69 -5.679 -1.702 -11.706 589 HB3 ARG 69 HB3 ARG 69 -6.197 -2.926 -10.557 590 HG2 ARG 69 HG2 ARG 69 -8.122 -1.707 -11.181 591 HG3 ARG 69 HG3 ARG 69 -7.709 -1.197 -9.543 592 HD2 ARG 69 HD2 ARG 69 -6.522 0.761 -10.538 593 HD3 ARG 69 HD3 ARG 69 -7.147 0.278 -12.113 594 HE ARG 69 HE ARG 69 -9.090 0.737 -9.991 595 HH11 ARG 69 HH11 ARG 69 -7.570 1.847 -12.944 596 HH12 ARG 69 HH12 ARG 69 -8.704 3.140 -13.193 597 HH21 ARG 69 HH21 ARG 69 -10.591 2.444 -10.320 598 HH22 ARG 69 HH22 ARG 69 -10.414 3.478 -11.709 599 H LYS 70 H LYS 70 -5.001 -3.621 -8.526 600 HA LYS 70 HA LYS 70 -6.690 -2.988 -6.335 601 HB2 LYS 70 HB2 LYS 70 -5.247 -5.331 -7.292 602 HB3 LYS 70 HB3 LYS 70 -5.232 -5.209 -5.538 603 HG2 LYS 70 HG2 LYS 70 -7.125 -6.477 -5.988 604 HG3 LYS 70 HG3 LYS 70 -7.761 -4.853 -5.728 605 HD2 LYS 70 HD2 LYS 70 -8.899 -5.518 -7.628 606 HD3 LYS 70 HD3 LYS 70 -7.530 -4.638 -8.311 607 HE2 LYS 70 HE2 LYS 70 -6.397 -6.642 -8.859 608 HE3 LYS 70 HE3 LYS 70 -7.492 -7.615 -7.878 609 HZ1 LYS 70 HZ1 LYS 70 -9.294 -6.962 -9.430 610 HZ2 LYS 70 HZ2 LYS 70 -8.082 -7.899 -10.150 611 HZ3 LYS 70 HZ3 LYS 70 -8.133 -6.231 -10.421 612 H LEU 71 H LEU 71 -3.185 -3.197 -6.713 613 HA LEU 71 HA LEU 71 -2.355 -2.802 -4.104 614 HB2 LEU 71 HB2 LEU 71 -0.773 -3.246 -5.859 615 HB3 LEU 71 HB3 LEU 71 -1.205 -1.768 -6.696 616 HG LEU 71 HG LEU 71 -0.288 -0.491 -4.735 617 HD11 LEU 71 HD11 LEU 71 0.790 -3.201 -3.970 618 HD12 LEU 71 HD12 LEU 71 -0.411 -2.269 -3.075 619 HD13 LEU 71 HD13 LEU 71 1.238 -1.661 -3.233 620 HD21 LEU 71 HD21 LEU 71 0.960 -0.772 -6.809 621 HD22 LEU 71 HD22 LEU 71 1.610 -2.302 -6.220 622 HD23 LEU 71 HD23 LEU 71 2.038 -0.793 -5.413 623 H ASN 72 H ASN 72 -3.049 -0.334 -6.557 624 HA ASN 72 HA ASN 72 -2.696 1.967 -5.088 625 HB2 ASN 72 HB2 ASN 72 -3.146 2.063 -7.459 626 HB3 ASN 72 HB3 ASN 72 -4.748 1.370 -7.228 627 HD21 ASN 72 HD21 ASN 72 -5.848 3.054 -8.131 628 HD22 ASN 72 HD22 ASN 72 -5.960 4.621 -7.408 629 H SER 73 H SER 73 -5.751 0.121 -5.420 630 HA SER 73 HA SER 73 -7.275 1.854 -3.856 631 HB2 SER 73 HB2 SER 73 -8.749 -0.268 -3.532 632 HB3 SER 73 HB3 SER 73 -8.552 0.417 -5.145 633 HG SER 73 HG SER 73 -6.746 -1.552 -4.292 634 H TYR 74 H TYR 74 -5.171 -0.794 -2.846 635 HA TYR 74 HA TYR 74 -6.144 -0.913 -0.161 636 HB2 TYR 74 HB2 TYR 74 -3.371 -1.642 -1.145 637 HB3 TYR 74 HB3 TYR 74 -4.115 -2.156 0.361 638 HD1 TYR 74 HD1 TYR 74 -6.874 -2.817 -0.881 639 HD2 TYR 74 HD2 TYR 74 -2.882 -3.780 -1.992 640 HE1 TYR 74 HE1 TYR 74 -7.681 -4.862 -1.988 641 HE2 TYR 74 HE2 TYR 74 -3.671 -5.824 -3.098 642 HH TYR 74 HH TYR 74 -5.482 -7.280 -3.230 643 H ILE 75 H ILE 75 -3.272 0.584 -1.623 644 HA ILE 75 HA ILE 75 -2.340 1.798 0.744 645 HB ILE 75 HB ILE 75 -1.821 2.512 -2.145 646 HG12 ILE 75 HG12 ILE 75 -0.220 0.896 -0.146 647 HG13 ILE 75 HG13 ILE 75 -1.140 0.241 -1.497 648 HG21 ILE 75 HG21 ILE 75 -1.349 4.412 -0.668 649 HG22 ILE 75 HG22 ILE 75 0.125 3.740 -1.361 650 HG23 ILE 75 HG23 ILE 75 -0.304 3.384 0.312 651 HD11 ILE 75 HD11 ILE 75 1.250 2.057 -1.712 652 HD12 ILE 75 HD12 ILE 75 0.333 1.386 -3.062 653 HD13 ILE 75 HD13 ILE 75 1.235 0.315 -1.990 654 H ARG 76 H ARG 76 -4.361 2.989 -1.902 655 HA ARG 76 HA ARG 76 -4.660 5.634 -1.037 656 HB2 ARG 76 HB2 ARG 76 -5.373 4.915 -3.248 657 HB3 ARG 76 HB3 ARG 76 -6.590 3.859 -2.545 658 HG2 ARG 76 HG2 ARG 76 -7.812 5.779 -1.709 659 HG3 ARG 76 HG3 ARG 76 -6.564 6.864 -2.331 660 HD2 ARG 76 HD2 ARG 76 -7.046 6.204 -4.590 661 HD3 ARG 76 HD3 ARG 76 -8.174 4.971 -4.032 662 HE ARG 76 HE ARG 76 -9.130 7.343 -3.015 663 HH11 ARG 76 HH11 ARG 76 -8.314 6.163 -6.206 664 HH12 ARG 76 HH12 ARG 76 -9.607 7.012 -6.993 665 HH21 ARG 76 HH21 ARG 76 -10.816 8.499 -4.055 666 HH22 ARG 76 HH22 ARG 76 -11.011 8.363 -5.777 667 H ASN 77 H ASN 77 -6.506 2.708 -0.225 668 HA ASN 77 HA ASN 77 -8.460 4.021 1.346 669 HB2 ASN 77 HB2 ASN 77 -8.650 1.693 0.382 670 HB3 ASN 77 HB3 ASN 77 -7.551 1.151 1.641 671 HD21 ASN 77 HD21 ASN 77 -9.883 3.651 2.234 672 HD22 ASN 77 HD22 ASN 77 -10.926 2.724 3.251 673 H ALA 78 H ALA 78 -5.305 2.653 2.069 674 HA ALA 78 HA ALA 78 -5.424 2.801 4.872 675 HB1 ALA 78 HB1 ALA 78 -3.695 1.544 3.709 676 HB2 ALA 78 HB2 ALA 78 -2.974 2.731 4.799 677 HB3 ALA 78 HB3 ALA 78 -3.023 3.041 3.063 678 H PHE 79 H PHE 79 -4.124 5.131 2.502 679 HA PHE 79 HA PHE 79 -3.563 7.132 4.443 680 HB2 PHE 79 HB2 PHE 79 -3.796 7.156 1.448 681 HB3 PHE 79 HB3 PHE 79 -3.604 8.657 2.346 682 HD1 PHE 79 HD1 PHE 79 -1.592 8.859 3.892 683 HD2 PHE 79 HD2 PHE 79 -1.938 5.868 0.885 684 HE1 PHE 79 HE1 PHE 79 0.849 8.545 3.931 685 HE2 PHE 79 HE2 PHE 79 0.502 5.546 0.919 686 HZ PHE 79 HZ PHE 79 1.900 6.887 2.442 687 H ASP 80 H ASP 80 -6.355 6.343 2.495 688 HA ASP 80 HA ASP 80 -7.779 8.753 2.861 689 HB2 ASP 80 HB2 ASP 80 -8.245 6.923 1.155 690 HB3 ASP 80 HB3 ASP 80 -9.024 6.030 2.458 691 H ASP 81 H ASP 81 -7.710 5.714 4.687 692 HA ASP 81 HA ASP 81 -9.618 6.460 6.631 693 HB2 ASP 81 HB2 ASP 81 -8.880 4.147 6.433 694 HB3 ASP 81 HB3 ASP 81 -7.232 4.606 6.857 695 H ALA 82 H ALA 82 -6.091 6.760 6.536 696 HA ALA 82 HA ALA 82 -5.676 7.937 9.021 697 HB1 ALA 82 HB1 ALA 82 -3.557 8.713 8.138 698 HB2 ALA 82 HB2 ALA 82 -4.119 8.447 6.489 699 HB3 ALA 82 HB3 ALA 82 -3.888 7.075 7.573 700 H ILE 83 H ILE 83 -6.368 9.521 5.894 701 HA ILE 83 HA ILE 83 -6.139 12.142 6.988 702 HB ILE 83 HB ILE 83 -5.823 11.726 4.600 703 HG12 ILE 83 HG12 ILE 83 -8.080 13.621 5.264 704 HG13 ILE 83 HG13 ILE 83 -6.358 13.979 5.335 705 HG21 ILE 83 HG21 ILE 83 -7.516 10.045 4.218 706 HG22 ILE 83 HG22 ILE 83 -7.747 11.402 3.116 707 HG23 ILE 83 HG23 ILE 83 -8.787 11.225 4.528 708 HD11 ILE 83 HD11 ILE 83 -6.198 13.700 2.920 709 HD12 ILE 83 HD12 ILE 83 -7.377 14.937 3.356 710 HD13 ILE 83 HD13 ILE 83 -7.924 13.338 2.847 711 H HIS 84 H HIS 84 -8.823 9.902 6.575 712 HA HIS 84 HA HIS 84 -10.893 11.730 7.191 713 HB2 HIS 84 HB2 HIS 84 -10.679 8.738 7.410 714 HB3 HIS 84 HB3 HIS 84 -12.107 9.592 7.979 715 HD1 HIS 84 HD1 HIS 84 -13.320 8.115 6.105 716 HD2 HIS 84 HD2 HIS 84 -10.757 11.089 4.720 717 HE1 HIS 84 HE1 HIS 84 -13.890 8.431 3.673 718 HE2 HIS 84 HE2 HIS 84 -12.162 10.044 2.812 719 H GLU 85 H GLU 85 -8.573 10.035 9.115 720 HA GLU 85 HA GLU 85 -9.965 10.649 11.607 721 HB2 GLU 85 HB2 GLU 85 -7.291 9.315 11.133 722 HB3 GLU 85 HB3 GLU 85 -8.104 9.453 12.684 723 HG2 GLU 85 HG2 GLU 85 -9.036 7.889 10.291 724 HG3 GLU 85 HG3 GLU 85 -8.415 7.246 11.810 725 H GLY 86 H GLY 86 -7.980 12.266 9.515 726 HA2 GLY 86 HA2 GLY 86 -6.833 14.260 9.697 727 HA3 GLY 86 HA3 GLY 86 -7.348 14.343 11.378 728 H TYR 87 H TYR 87 -5.706 11.585 10.103 729 HA TYR 87 HA TYR 87 -3.640 11.869 12.105 730 HB2 TYR 87 HB2 TYR 87 -4.923 9.731 11.478 731 HB3 TYR 87 HB3 TYR 87 -3.892 9.674 10.055 732 HD1 TYR 87 HD2 TYR 87 -3.493 10.152 13.741 733 HD2 TYR 87 HD1 TYR 87 -2.088 8.273 10.198 734 HE1 TYR 87 HE2 TYR 87 -1.787 8.967 15.058 735 HE2 TYR 87 HE1 TYR 87 -0.374 7.079 11.503 736 HH TYR 87 HH TYR 87 -0.409 6.986 14.933 737 H VAL 88 H VAL 88 -3.975 12.020 8.614 738 HA VAL 88 HA VAL 88 -1.187 12.947 8.471 739 HB VAL 88 HB VAL 88 -1.092 12.249 6.135 740 HG11 VAL 88 HG11 VAL 88 -0.307 10.696 7.821 741 HG12 VAL 88 HG12 VAL 88 -1.042 9.821 6.477 742 HG13 VAL 88 HG13 VAL 88 -1.929 10.023 7.989 743 HG21 VAL 88 HG21 VAL 88 -3.466 12.457 5.582 744 HG22 VAL 88 HG22 VAL 88 -3.829 11.057 6.590 745 HG23 VAL 88 HG23 VAL 88 -2.843 10.868 5.141 746 H ILE 89 H ILE 89 -0.837 14.497 6.596 747 HA ILE 89 HA ILE 89 -2.950 16.505 6.837 748 HB ILE 89 HB ILE 89 -1.186 18.137 6.172 749 HG12 ILE 89 HG12 ILE 89 0.672 15.774 6.533 750 HG13 ILE 89 HG13 ILE 89 0.285 16.524 4.990 751 HG21 ILE 89 HG21 ILE 89 -0.040 18.089 8.340 752 HG22 ILE 89 HG22 ILE 89 -0.621 16.446 8.603 753 HG23 ILE 89 HG23 ILE 89 -1.769 17.781 8.500 754 HD11 ILE 89 HD11 ILE 89 1.701 17.837 7.297 755 HD12 ILE 89 HD12 ILE 89 1.287 18.615 5.771 756 HD13 ILE 89 HD13 ILE 89 2.434 17.277 5.795 757 H LYS 90 H LYS 90 -1.150 14.722 4.400 758 HA LYS 90 HA LYS 90 -2.797 16.010 2.353 759 HB2 LYS 90 HB2 LYS 90 0.204 15.831 2.338 760 HB3 LYS 90 HB3 LYS 90 -0.717 15.987 0.850 761 HG2 LYS 90 HG2 LYS 90 -1.704 18.073 1.718 762 HG3 LYS 90 HG3 LYS 90 -0.691 17.925 3.155 763 HD2 LYS 90 HD2 LYS 90 1.310 18.080 1.794 764 HD3 LYS 90 HD3 LYS 90 0.334 18.124 0.325 765 HE2 LYS 90 HE2 LYS 90 1.061 20.362 0.916 766 HE3 LYS 90 HE3 LYS 90 -0.688 20.224 1.080 767 HZ1 LYS 90 HZ1 LYS 90 1.263 20.053 3.318 768 HZ2 LYS 90 HZ2 LYS 90 -0.429 19.986 3.462 769 HZ3 LYS 90 HZ3 LYS 90 0.322 21.413 2.937 770 H ASN 91 H ASN 91 -2.398 14.892 0.170 771 HA ASN 91 HA ASN 91 -2.476 11.987 0.646 772 HB2 ASN 91 HB2 ASN 91 -3.989 13.748 -1.266 773 HB3 ASN 91 HB3 ASN 91 -3.832 12.019 -1.550 774 HD21 ASN 91 HD21 ASN 91 -4.955 10.592 -0.285 775 HD22 ASN 91 HD22 ASN 91 -6.191 11.086 0.819 776 HA PRO 92 HA PRO 92 0.931 11.987 -2.311 777 HB2 PRO 92 HB2 PRO 92 1.923 9.605 -1.594 778 HB3 PRO 92 HB3 PRO 92 2.204 11.050 -0.614 779 HG2 PRO 92 HG2 PRO 92 0.270 8.814 -0.187 780 HG3 PRO 92 HG3 PRO 92 1.244 9.695 1.000 781 HD2 PRO 92 HD2 PRO 92 -1.430 10.179 0.476 782 HD3 PRO 92 HD3 PRO 92 -0.315 11.340 1.221 783 H THR 93 H THR 93 -1.985 10.653 -2.208 784 HA THR 93 HA THR 93 -1.663 8.344 -3.874 785 HB THR 93 HB THR 93 -4.248 8.591 -3.980 786 HG1 THR 93 HG1 THR 93 -4.850 10.444 -3.134 787 HG21 THR 93 HG21 THR 93 -3.092 6.907 -2.643 788 HG22 THR 93 HG22 THR 93 -4.463 7.569 -1.755 789 HG23 THR 93 HG23 THR 93 -2.823 8.089 -1.361 790 H TYR 94 H TYR 94 -1.477 11.569 -4.569 791 HA TYR 94 HA TYR 94 -2.728 11.360 -7.182 792 HB2 TYR 94 HB2 TYR 94 -2.629 13.537 -5.837 793 HB3 TYR 94 HB3 TYR 94 -0.918 13.597 -6.259 794 HD1 TYR 94 HD2 TYR 94 -4.344 13.661 -7.623 795 HD2 TYR 94 HD1 TYR 94 -0.211 14.239 -8.467 796 HE1 TYR 94 HE2 TYR 94 -4.932 14.669 -9.783 797 HE2 TYR 94 HE1 TYR 94 -0.794 15.252 -10.631 798 HH TYR 94 HH TYR 94 -2.627 15.261 -12.234 799 H LYS 95 H LYS 95 -1.446 11.680 -9.147 800 HA LYS 95 HA LYS 95 0.187 11.017 -10.573 801 HB2 LYS 95 HB2 LYS 95 1.750 11.578 -8.131 802 HB3 LYS 95 HB3 LYS 95 2.495 10.440 -9.241 803 HG2 LYS 95 HG2 LYS 95 1.533 13.190 -9.999 804 HG3 LYS 95 HG3 LYS 95 3.205 12.767 -9.616 805 HD2 LYS 95 HD2 LYS 95 3.277 11.224 -11.477 806 HD3 LYS 95 HD3 LYS 95 1.571 11.519 -11.820 807 HE2 LYS 95 HE2 LYS 95 2.095 13.874 -12.294 808 HE3 LYS 95 HE3 LYS 95 3.803 13.537 -12.006 809 HZ1 LYS 95 HZ1 LYS 95 2.192 12.133 -14.068 810 HZ2 LYS 95 HZ2 LYS 95 3.882 12.115 -13.879 811 HZ3 LYS 95 HZ3 LYS 95 3.099 13.531 -14.388 812 H ALA 96 H ALA 96 -1.539 9.288 -8.841 813 HA ALA 96 HA ALA 96 -0.149 6.782 -8.632 814 HB1 ALA 96 HB1 ALA 96 -2.353 5.869 -8.063 815 HB2 ALA 96 HB2 ALA 96 -3.102 7.405 -8.497 816 HB3 ALA 96 HB3 ALA 96 -1.996 7.320 -7.126 817 H GLU 97 H GLU 97 0.302 7.682 -11.104 818 HA GLU 97 HA GLU 97 -1.595 6.868 -13.055 819 HB2 GLU 97 HB2 GLU 97 1.373 7.374 -13.333 820 HB3 GLU 97 HB3 GLU 97 0.222 7.259 -14.657 821 HG2 GLU 97 HG2 GLU 97 -0.922 9.243 -13.879 822 HG3 GLU 97 HG3 GLU 97 0.147 9.338 -12.480 823 H LEU 98 H LEU 98 -2.167 4.829 -13.204 824 HA LEU 98 HA LEU 98 -0.438 2.684 -12.437 825 HB2 LEU 98 HB2 LEU 98 -3.105 2.564 -13.847 826 HB3 LEU 98 HB3 LEU 98 -2.302 1.241 -13.024 827 HG LEU 98 HG LEU 98 -3.309 3.744 -11.667 828 HD11 LEU 98 HD11 LEU 98 -5.051 2.276 -10.749 829 HD12 LEU 98 HD12 LEU 98 -4.481 0.972 -11.790 830 HD13 LEU 98 HD13 LEU 98 -5.159 2.435 -12.502 831 HD21 LEU 98 HD21 LEU 98 -2.230 1.162 -10.541 832 HD22 LEU 98 HD22 LEU 98 -2.911 2.492 -9.602 833 HD23 LEU 98 HD23 LEU 98 -1.420 2.729 -10.517 834 H HIS 99 H HIS 99 1.304 3.028 -13.850 835 HA HIS 99 HA HIS 99 0.816 2.418 -16.677 836 HB2 HIS 99 HB2 HIS 99 2.065 4.484 -16.221 837 HB3 HIS 99 HB3 HIS 99 3.263 3.573 -15.311 838 HD1 HIS 99 HD1 HIS 99 2.240 4.480 -18.773 839 HD2 HIS 99 HD2 HIS 99 5.056 2.061 -16.886 840 HE1 HIS 99 HE1 HIS 99 3.904 3.846 -20.554 841 HE2 HIS 99 HE2 HIS 99 5.712 2.589 -19.329 842 H ALA 100 H ALA 100 0.755 0.272 -16.880 843 HA ALA 100 HA ALA 100 2.901 -1.303 -15.640 844 HB1 ALA 100 HB1 ALA 100 1.482 -3.257 -16.042 845 HB2 ALA 100 HB2 ALA 100 0.264 -2.223 -16.791 846 HB3 ALA 100 HB3 ALA 100 0.641 -2.044 -15.077 847 H SER 101 H SER 101 4.577 -1.424 -16.983 848 HA SER 101 HA SER 101 4.337 -1.326 -19.823 849 HB2 SER 101 HB2 SER 101 6.678 -2.091 -18.062 850 HB3 SER 101 HB3 SER 101 6.775 -1.784 -19.796 851 HG SER 101 HG SER 101 6.713 0.287 -19.433 852 H VAL 102 H VAL 102 3.771 -3.720 -17.594 853 HA VAL 102 HA VAL 102 4.644 -5.970 -19.154 854 HB VAL 102 HB VAL 102 2.713 -5.952 -16.830 855 HG11 VAL 102 HG11 VAL 102 3.424 -8.281 -16.539 856 HG12 VAL 102 HG12 VAL 102 4.454 -8.143 -17.965 857 HG13 VAL 102 HG13 VAL 102 2.702 -8.024 -18.127 858 HG21 VAL 102 HG21 VAL 102 4.649 -6.455 -15.424 859 HG22 VAL 102 HG22 VAL 102 4.777 -4.868 -16.184 860 HG23 VAL 102 HG23 VAL 102 5.709 -6.228 -16.815 861 H LEU 103 H LEU 103 3.497 -4.939 -21.044 862 HA LEU 103 HA LEU 103 0.818 -6.149 -21.261 863 HB2 LEU 103 HB2 LEU 103 1.817 -3.601 -22.549 864 HB3 LEU 103 HB3 LEU 103 0.304 -4.385 -22.955 865 HG LEU 103 HG LEU 103 0.982 -3.254 -20.238 866 HD11 LEU 103 HD11 LEU 103 -0.588 -1.483 -20.788 867 HD12 LEU 103 HD12 LEU 103 -0.831 -2.176 -22.392 868 HD13 LEU 103 HD13 LEU 103 0.741 -1.512 -21.948 869 HD21 LEU 103 HD21 LEU 103 -1.387 -3.601 -19.766 870 HD22 LEU 103 HD22 LEU 103 -0.586 -5.126 -20.147 871 HD23 LEU 103 HD23 LEU 103 -1.602 -4.338 -21.354 872 H GLU 104 H GLU 104 1.278 -7.987 -22.306 873 HA GLU 104 HA GLU 104 3.440 -8.270 -24.106 874 HB2 GLU 104 HB2 GLU 104 2.414 -10.490 -24.605 875 HB3 GLU 104 HB3 GLU 104 2.692 -10.193 -22.897 876 HG2 GLU 104 HG2 GLU 104 0.300 -9.592 -22.661 877 HG3 GLU 104 HG3 GLU 104 0.063 -10.031 -24.354 878 H HIS 105 H HIS 105 3.530 -7.289 -25.984 879 HA HIS 105 HA HIS 105 1.159 -7.404 -27.719 880 HB2 HIS 105 HB2 HIS 105 1.787 -5.174 -28.645 881 HB3 HIS 105 HB3 HIS 105 1.286 -5.119 -26.962 882 HD1 HIS 105 HD1 HIS 105 3.262 -4.785 -25.180 883 HD2 HIS 105 HD2 HIS 105 4.278 -4.155 -29.164 884 HE1 HIS 105 HE1 HIS 105 5.414 -3.485 -25.133 885 HE2 HIS 105 HE2 HIS 105 5.939 -2.993 -27.549 886 H HIS 106 H HIS 106 1.563 -8.649 -29.356 887 HA HIS 106 HA HIS 106 4.301 -9.028 -30.289 888 HB2 HIS 106 HB2 HIS 106 1.730 -10.386 -31.142 889 HB3 HIS 106 HB3 HIS 106 3.346 -10.831 -31.680 890 HD1 HIS 106 HD1 HIS 106 0.909 -11.361 -28.972 891 HD2 HIS 106 HD2 HIS 106 4.970 -12.011 -29.614 892 HE1 HIS 106 HE1 HIS 106 1.634 -12.964 -27.173 893 HE2 HIS 106 HE2 HIS 106 4.117 -13.253 -27.506 894 H HIS 107 H HIS 107 4.662 -7.004 -31.251 895 HA HIS 107 HA HIS 107 2.914 -6.336 -33.519 896 HB2 HIS 107 HB2 HIS 107 3.199 -4.605 -31.733 897 HB3 HIS 107 HB3 HIS 107 4.914 -4.544 -32.124 898 HD1 HIS 107 HD1 HIS 107 5.596 -3.286 -34.259 899 HD2 HIS 107 HD2 HIS 107 1.491 -3.414 -33.642 900 HE1 HIS 107 HE1 HIS 107 4.619 -1.642 -35.889 901 HE2 HIS 107 HE2 HIS 107 2.146 -1.631 -35.397 902 H HIS 108 H HIS 108 3.770 -7.629 -35.086 903 HA HIS 108 HA HIS 108 6.515 -7.906 -35.668 904 HB2 HIS 108 HB2 HIS 108 4.813 -9.471 -36.505 905 HB3 HIS 108 HB3 HIS 108 4.113 -8.195 -37.492 906 HD1 HIS 108 HD1 HIS 108 4.950 -8.029 -39.819 907 HD2 HIS 108 HD2 HIS 108 7.556 -10.146 -37.359 908 HE1 HIS 108 HE1 HIS 108 6.745 -8.920 -41.337 909 HE2 HIS 108 HE2 HIS 108 8.180 -10.377 -39.863 910 H HIS 109 H HIS 109 7.904 -6.594 -36.656 911 HA HIS 109 HA HIS 109 6.896 -4.038 -37.668 912 HB2 HIS 109 HB2 HIS 109 8.708 -4.043 -35.955 913 HB3 HIS 109 HB3 HIS 109 9.748 -4.894 -37.091 914 HD1 HIS 109 HD1 HIS 109 10.944 -3.509 -38.855 915 HD2 HIS 109 HD2 HIS 109 8.160 -1.327 -36.657 916 HE1 HIS 109 HE1 HIS 109 11.325 -1.099 -39.470 917 HE2 HIS 109 HE2 HIS 109 9.540 0.191 -38.235 918 H HIS 110 H HIS 110 7.340 -3.295 -39.734 919 HA HIS 110 HA HIS 110 8.522 -5.287 -41.549 920 HB2 HIS 110 HB2 HIS 110 7.128 -4.212 -43.364 921 HB3 HIS 110 HB3 HIS 110 6.239 -5.130 -42.161 922 HD1 HIS 110 HD1 HIS 110 7.040 -1.535 -43.043 923 HD2 HIS 110 HD2 HIS 110 4.215 -3.746 -40.952 924 HE1 HIS 110 HE1 HIS 110 5.216 0.088 -42.458 925 HE2 HIS 110 HE2 HIS 110 3.477 -1.282 -41.262 Start of MODEL 3 1 H1 MET 1 H1 MET 1 2.272 9.515 15.537 2 H2 MET 1 H2 MET 1 1.203 8.712 14.497 3 H3 MET 1 H3 MET 1 1.279 10.404 14.484 4 HA MET 1 HA MET 1 2.431 9.630 12.582 5 HB2 MET 1 HB2 MET 1 4.362 10.417 14.777 6 HB3 MET 1 HB3 MET 1 4.760 10.394 13.066 7 HG2 MET 1 HG2 MET 1 2.628 12.095 14.329 8 HG3 MET 1 HG3 MET 1 4.247 12.639 13.885 9 HE1 MET 1 HE1 MET 1 1.482 13.989 12.930 10 HE2 MET 1 HE2 MET 1 1.864 14.341 11.244 11 HE3 MET 1 HE3 MET 1 3.070 14.621 12.502 12 H ILE 2 H ILE 2 3.146 7.876 11.609 13 HA ILE 2 HA ILE 2 4.832 5.961 13.004 14 HB ILE 2 HB ILE 2 2.511 5.291 13.542 15 HG12 ILE 2 HG12 ILE 2 3.877 3.387 11.626 16 HG13 ILE 2 HG13 ILE 2 4.264 3.570 13.334 17 HG21 ILE 2 HG21 ILE 2 1.397 6.183 11.580 18 HG22 ILE 2 HG22 ILE 2 1.028 4.472 11.781 19 HG23 ILE 2 HG23 ILE 2 2.193 4.984 10.561 20 HD11 ILE 2 HD11 ILE 2 1.636 2.622 12.219 21 HD12 ILE 2 HD12 ILE 2 2.037 2.792 13.928 22 HD13 ILE 2 HD13 ILE 2 2.889 1.609 12.936 23 H THR 3 H THR 3 5.739 4.355 11.501 24 HA THR 3 HA THR 3 6.382 5.487 8.968 25 HB THR 3 HB THR 3 7.640 3.432 8.564 26 HG1 THR 3 HG1 THR 3 7.451 2.019 10.718 27 HG21 THR 3 HG21 THR 3 9.137 3.498 10.496 28 HG22 THR 3 HG22 THR 3 7.908 4.355 11.426 29 HG23 THR 3 HG23 THR 3 8.647 5.125 10.021 30 H PHE 4 H PHE 4 5.774 4.752 6.897 31 HA PHE 4 HA PHE 4 3.060 4.034 6.675 32 HB2 PHE 4 HB2 PHE 4 4.146 5.348 4.945 33 HB3 PHE 4 HB3 PHE 4 5.240 4.017 4.579 34 HD1 PHE 4 HD2 PHE 4 1.550 4.127 5.107 35 HD2 PHE 4 HD1 PHE 4 4.768 3.255 2.464 36 HE1 PHE 4 HE2 PHE 4 -0.049 3.250 3.461 37 HE2 PHE 4 HE1 PHE 4 3.171 2.371 0.812 38 HZ PHE 4 HZ PHE 4 0.762 2.368 1.312 39 H ALA 5 H ALA 5 6.019 2.131 6.377 40 HA ALA 5 HA ALA 5 4.895 -0.213 5.339 41 HB1 ALA 5 HB1 ALA 5 6.907 -1.336 6.166 42 HB2 ALA 5 HB2 ALA 5 7.300 0.088 7.133 43 HB3 ALA 5 HB3 ALA 5 7.295 0.190 5.371 44 H ASP 6 H ASP 6 5.527 0.704 8.726 45 HA ASP 6 HA ASP 6 4.438 -1.718 9.777 46 HB2 ASP 6 HB2 ASP 6 6.139 -0.337 10.963 47 HB3 ASP 6 HB3 ASP 6 4.919 0.908 11.201 48 H TYR 7 H TYR 7 3.206 1.527 9.192 49 HA TYR 7 HA TYR 7 0.738 1.232 10.525 50 HB2 TYR 7 HB2 TYR 7 1.592 3.422 9.834 51 HB3 TYR 7 HB3 TYR 7 1.424 2.964 8.144 52 HD1 TYR 7 HD2 TYR 7 -0.602 3.343 11.260 53 HD2 TYR 7 HD1 TYR 7 -0.529 3.518 7.008 54 HE1 TYR 7 HE2 TYR 7 -2.904 4.209 11.260 55 HE2 TYR 7 HE1 TYR 7 -2.831 4.381 6.997 56 HH TYR 7 HH TYR 7 -4.810 4.388 8.452 57 H PHE 8 H PHE 8 1.704 0.607 7.163 58 HA PHE 8 HA PHE 8 -0.843 -0.010 6.171 59 HB2 PHE 8 HB2 PHE 8 1.113 0.378 4.722 60 HB3 PHE 8 HB3 PHE 8 1.827 -1.130 5.286 61 HD1 PHE 8 HD2 PHE 8 -0.989 0.314 3.375 62 HD2 PHE 8 HD1 PHE 8 1.204 -3.205 4.346 63 HE1 PHE 8 HE2 PHE 8 -2.155 -0.907 1.583 64 HE2 PHE 8 HE1 PHE 8 0.039 -4.429 2.560 65 HZ PHE 8 HZ PHE 8 -1.643 -3.279 1.175 66 H TYR 9 H TYR 9 1.648 -2.106 7.592 67 HA TYR 9 HA TYR 9 0.187 -4.507 7.251 68 HB2 TYR 9 HB2 TYR 9 2.664 -4.360 7.701 69 HB3 TYR 9 HB3 TYR 9 2.274 -3.978 9.376 70 HD1 TYR 9 HD1 TYR 9 1.207 -5.681 10.821 71 HD2 TYR 9 HD2 TYR 9 2.459 -6.589 6.858 72 HE1 TYR 9 HE1 TYR 9 1.030 -8.080 11.322 73 HE2 TYR 9 HE2 TYR 9 2.292 -8.993 7.346 74 HH TYR 9 HH TYR 9 2.335 -10.482 9.327 75 H GLN 10 H GLN 10 0.562 -2.307 10.018 76 HA GLN 10 HA GLN 10 -1.072 -3.695 11.820 77 HB2 GLN 10 HB2 GLN 10 0.355 -1.873 12.551 78 HB3 GLN 10 HB3 GLN 10 -0.551 -0.727 11.575 79 HG2 GLN 10 HG2 GLN 10 -2.528 -1.106 12.954 80 HG3 GLN 10 HG3 GLN 10 -1.625 -2.263 13.930 81 HE21 GLN 10 HE21 GLN 10 -0.213 0.662 12.679 82 HE22 GLN 10 HE22 GLN 10 -0.045 1.466 14.198 83 H TRP 11 H TRP 11 -1.854 -1.129 9.503 84 HA TRP 11 HA TRP 11 -4.574 -0.876 10.025 85 HB2 TRP 11 HB2 TRP 11 -3.519 0.724 8.612 86 HB3 TRP 11 HB3 TRP 11 -2.966 -0.519 7.496 87 HD1 TRP 11 HD1 TRP 11 -6.286 1.141 8.620 88 HE1 TRP 11 HE1 TRP 11 -7.919 1.066 6.631 89 HE3 TRP 11 HE3 TRP 11 -3.431 -1.536 5.332 90 HZ2 TRP 11 HZ2 TRP 11 -7.983 0.002 4.011 91 HZ3 TRP 11 HZ3 TRP 11 -4.348 -2.037 3.106 92 HH2 TRP 11 HH2 TRP 11 -6.580 -1.280 2.461 93 H TYR 12 H TYR 12 -2.955 -2.969 7.638 94 HA TYR 12 HA TYR 12 -5.260 -4.223 6.671 95 HB2 TYR 12 HB2 TYR 12 -3.328 -4.520 5.377 96 HB3 TYR 12 HB3 TYR 12 -2.358 -5.005 6.762 97 HD1 TYR 12 HD2 TYR 12 -5.442 -6.205 4.984 98 HD2 TYR 12 HD1 TYR 12 -1.739 -7.199 6.829 99 HE1 TYR 12 HE2 TYR 12 -5.816 -8.573 4.453 100 HE2 TYR 12 HE1 TYR 12 -2.100 -9.568 6.292 101 HH TYR 12 HH TYR 12 -3.927 -11.075 5.791 102 H GLU 13 H GLU 13 -3.139 -5.104 9.366 103 HA GLU 13 HA GLU 13 -4.233 -7.616 9.912 104 HB2 GLU 13 HB2 GLU 13 -2.095 -6.722 10.832 105 HB3 GLU 13 HB3 GLU 13 -3.030 -5.694 11.909 106 HG2 GLU 13 HG2 GLU 13 -4.032 -7.692 12.915 107 HG3 GLU 13 HG3 GLU 13 -3.038 -8.702 11.869 108 H VAL 14 H VAL 14 -5.267 -4.405 10.955 109 HA VAL 14 HA VAL 14 -7.290 -5.555 12.715 110 HB VAL 14 HB VAL 14 -6.897 -2.633 12.049 111 HG11 VAL 14 HG11 VAL 14 -7.982 -2.272 14.222 112 HG12 VAL 14 HG12 VAL 14 -8.200 -4.014 14.393 113 HG13 VAL 14 HG13 VAL 14 -9.019 -3.145 13.094 114 HG21 VAL 14 HG21 VAL 14 -4.792 -3.496 12.891 115 HG22 VAL 14 HG22 VAL 14 -5.615 -4.234 14.267 116 HG23 VAL 14 HG23 VAL 14 -5.560 -2.477 14.108 117 H ASN 15 H ASN 15 -7.027 -4.540 9.460 118 HA ASN 15 HA ASN 15 -9.816 -3.610 9.403 119 HB2 ASN 15 HB2 ASN 15 -7.585 -2.387 8.462 120 HB3 ASN 15 HB3 ASN 15 -8.141 -3.216 7.011 121 HD21 ASN 15 HD21 ASN 15 -8.903 -0.846 9.426 122 HD22 ASN 15 HD22 ASN 15 -10.186 -0.072 8.562 123 H LYS 16 H LYS 16 -7.586 -5.743 7.621 124 HA LYS 16 HA LYS 16 -9.949 -6.810 6.211 125 HB2 LYS 16 HB2 LYS 16 -7.147 -6.577 5.106 126 HB3 LYS 16 HB3 LYS 16 -8.567 -7.155 4.243 127 HG2 LYS 16 HG2 LYS 16 -8.160 -4.361 5.294 128 HG3 LYS 16 HG3 LYS 16 -7.999 -4.871 3.613 129 HD2 LYS 16 HD2 LYS 16 -10.339 -5.427 3.506 130 HD3 LYS 16 HD3 LYS 16 -10.529 -5.125 5.236 131 HE2 LYS 16 HE2 LYS 16 -9.934 -2.766 4.864 132 HE3 LYS 16 HE3 LYS 16 -9.812 -3.083 3.135 133 HZ1 LYS 16 HZ1 LYS 16 -12.118 -3.562 3.022 134 HZ2 LYS 16 HZ2 LYS 16 -11.962 -2.102 3.878 135 HZ3 LYS 16 HZ3 LYS 16 -12.282 -3.543 4.711 136 H LEU 17 H LEU 17 -7.233 -7.542 8.141 137 HA LEU 17 HA LEU 17 -6.423 -10.022 7.267 138 HB2 LEU 17 HB2 LEU 17 -5.378 -8.682 9.086 139 HB3 LEU 17 HB3 LEU 17 -6.657 -9.220 10.160 140 HG LEU 17 HG LEU 17 -5.910 -11.586 9.690 141 HD11 LEU 17 HD11 LEU 17 -4.705 -11.186 7.637 142 HD12 LEU 17 HD12 LEU 17 -3.618 -11.858 8.853 143 HD13 LEU 17 HD13 LEU 17 -3.569 -10.133 8.479 144 HD21 LEU 17 HD21 LEU 17 -3.952 -9.710 11.006 145 HD22 LEU 17 HD22 LEU 17 -4.012 -11.458 11.234 146 HD23 LEU 17 HD23 LEU 17 -5.361 -10.454 11.764 147 HA PRO 18 HA PRO 18 -9.698 -12.343 9.787 148 HB2 PRO 18 HB2 PRO 18 -11.546 -11.074 11.268 149 HB3 PRO 18 HB3 PRO 18 -9.901 -11.343 11.858 150 HG2 PRO 18 HG2 PRO 18 -11.156 -8.865 10.789 151 HG3 PRO 18 HG3 PRO 18 -9.960 -9.055 12.082 152 HD2 PRO 18 HD2 PRO 18 -9.415 -8.308 9.452 153 HD3 PRO 18 HD3 PRO 18 -8.227 -8.902 10.627 154 H HIS 19 H HIS 19 -10.156 -10.555 7.282 155 HA HIS 19 HA HIS 19 -13.012 -11.191 6.986 156 HB2 HIS 19 HB2 HIS 19 -11.699 -8.641 6.028 157 HB3 HIS 19 HB3 HIS 19 -13.376 -9.099 5.758 158 HD2 HIS 19 HD2 HIS 19 -11.138 -7.468 8.402 159 HE1 HIS 19 HE1 HIS 19 -15.014 -7.844 10.046 160 HE2 HIS 19 HE2 HIS 19 -12.774 -6.670 10.249 161 H VAL 20 H VAL 20 -10.133 -10.158 5.136 162 HA VAL 20 HA VAL 20 -11.270 -11.004 2.666 163 HB VAL 20 HB VAL 20 -9.110 -10.491 1.658 164 HG11 VAL 20 HG11 VAL 20 -10.674 -8.678 2.083 165 HG12 VAL 20 HG12 VAL 20 -9.007 -8.122 2.240 166 HG13 VAL 20 HG13 VAL 20 -9.974 -8.433 3.683 167 HG21 VAL 20 HG21 VAL 20 -7.640 -11.343 3.408 168 HG22 VAL 20 HG22 VAL 20 -8.142 -10.034 4.479 169 HG23 VAL 20 HG23 VAL 20 -7.241 -9.674 3.006 170 H SER 21 H SER 21 -10.657 -12.664 1.307 171 HA SER 21 HA SER 21 -10.131 -15.160 2.514 172 HB2 SER 21 HB2 SER 21 -9.936 -14.463 -0.423 173 HB3 SER 21 HB3 SER 21 -10.276 -16.044 0.278 174 HG SER 21 HG SER 21 -12.283 -15.410 0.812 175 H GLU 22 H GLU 22 -8.359 -16.647 1.741 176 HA GLU 22 HA GLU 22 -5.837 -15.566 2.404 177 HB2 GLU 22 HB2 GLU 22 -6.462 -18.159 0.972 178 HB3 GLU 22 HB3 GLU 22 -4.935 -17.758 1.750 179 HG2 GLU 22 HG2 GLU 22 -6.126 -17.578 3.902 180 HG3 GLU 22 HG3 GLU 22 -7.603 -18.092 3.091 181 H SER 23 H SER 23 -7.429 -16.149 -0.654 182 HA SER 23 HA SER 23 -5.303 -15.721 -2.408 183 HB2 SER 23 HB2 SER 23 -8.121 -14.780 -2.922 184 HB3 SER 23 HB3 SER 23 -6.958 -15.437 -4.075 185 HG SER 23 HG SER 23 -7.225 -17.465 -3.159 186 H THR 24 H THR 24 -7.294 -13.476 -0.584 187 HA THR 24 HA THR 24 -6.184 -11.160 -1.930 188 HB THR 24 HB THR 24 -8.035 -11.303 0.463 189 HG1 THR 24 HG1 THR 24 -9.293 -10.375 -1.651 190 HG21 THR 24 HG21 THR 24 -7.292 -8.992 -1.336 191 HG22 THR 24 HG22 THR 24 -6.845 -9.177 0.360 192 HG23 THR 24 HG23 THR 24 -8.538 -8.953 -0.087 193 H LYS 25 H LYS 25 -5.783 -12.942 1.065 194 HA LYS 25 HA LYS 25 -4.345 -11.087 2.564 195 HB2 LYS 25 HB2 LYS 25 -4.114 -14.099 2.476 196 HB3 LYS 25 HB3 LYS 25 -3.291 -13.100 3.664 197 HG2 LYS 25 HG2 LYS 25 -5.591 -12.226 4.299 198 HG3 LYS 25 HG3 LYS 25 -6.241 -13.549 3.329 199 HD2 LYS 25 HD2 LYS 25 -5.133 -15.179 4.706 200 HD3 LYS 25 HD3 LYS 25 -4.284 -13.915 5.595 201 HE2 LYS 25 HE2 LYS 25 -6.052 -14.586 6.996 202 HE3 LYS 25 HE3 LYS 25 -6.570 -13.061 6.283 203 HZ1 LYS 25 HZ1 LYS 25 -7.414 -15.775 5.420 204 HZ2 LYS 25 HZ2 LYS 25 -7.883 -14.327 4.676 205 HZ3 LYS 25 HZ3 LYS 25 -8.360 -14.652 6.265 206 H ARG 26 H ARG 26 -3.245 -13.294 0.035 207 HA ARG 26 HA ARG 26 -0.484 -12.730 0.406 208 HB2 ARG 26 HB2 ARG 26 -0.135 -13.849 -1.745 209 HB3 ARG 26 HB3 ARG 26 -1.166 -14.786 -0.676 210 HG2 ARG 26 HG2 ARG 26 -3.133 -13.997 -1.906 211 HG3 ARG 26 HG3 ARG 26 -2.070 -13.107 -3.001 212 HD2 ARG 26 HD2 ARG 26 -1.020 -15.168 -3.709 213 HD3 ARG 26 HD3 ARG 26 -1.978 -16.084 -2.546 214 HE ARG 26 HE ARG 26 -3.458 -14.551 -4.528 215 HH11 ARG 26 HH11 ARG 26 -2.110 -17.651 -3.608 216 HH12 ARG 26 HH12 ARG 26 -3.194 -18.564 -4.614 217 HH21 ARG 26 HH21 ARG 26 -4.895 -15.742 -5.830 218 HH22 ARG 26 HH22 ARG 26 -4.804 -17.481 -5.858 219 H HIS 27 H HIS 27 -3.027 -11.158 -1.432 220 HA HIS 27 HA HIS 27 -1.433 -9.549 -3.099 221 HB2 HIS 27 HB2 HIS 27 -4.146 -9.078 -1.861 222 HB3 HIS 27 HB3 HIS 27 -3.374 -7.873 -2.881 223 HD2 HIS 27 HD2 HIS 27 -5.545 -10.970 -3.170 224 HE1 HIS 27 HE1 HIS 27 -4.171 -9.995 -7.051 225 HE2 HIS 27 HE2 HIS 27 -5.933 -11.256 -5.720 226 H TYR 28 H TYR 28 -2.744 -8.922 0.144 227 HA TYR 28 HA TYR 28 -1.449 -6.439 0.511 228 HB2 TYR 28 HB2 TYR 28 -2.513 -8.454 2.486 229 HB3 TYR 28 HB3 TYR 28 -1.833 -6.908 2.975 230 HD1 TYR 28 HD2 TYR 28 -3.008 -4.830 2.509 231 HD2 TYR 28 HD1 TYR 28 -4.678 -8.585 1.408 232 HE1 TYR 28 HE2 TYR 28 -5.201 -3.761 2.208 233 HE2 TYR 28 HE1 TYR 28 -6.876 -7.525 1.104 234 HH TYR 28 HH TYR 28 -7.293 -4.171 0.960 235 H GLU 29 H GLU 29 -0.537 -9.744 1.407 236 HA GLU 29 HA GLU 29 1.807 -9.253 2.775 237 HB2 GLU 29 HB2 GLU 29 0.417 -11.441 1.842 238 HB3 GLU 29 HB3 GLU 29 1.927 -11.532 0.947 239 HG2 GLU 29 HG2 GLU 29 2.002 -11.096 3.884 240 HG3 GLU 29 HG3 GLU 29 1.654 -12.697 3.248 241 H SER 30 H SER 30 1.372 -9.751 -0.728 242 HA SER 30 HA SER 30 4.101 -9.393 -1.384 243 HB2 SER 30 HB2 SER 30 1.668 -9.012 -3.146 244 HB3 SER 30 HB3 SER 30 3.326 -9.266 -3.695 245 HG SER 30 HG SER 30 1.561 -11.079 -2.438 246 H ALA 31 H ALA 31 1.341 -7.189 -1.252 247 HA ALA 31 HA ALA 31 2.571 -4.904 -2.307 248 HB1 ALA 31 HB1 ALA 31 0.834 -3.647 -1.159 249 HB2 ALA 31 HB2 ALA 31 0.460 -5.046 -0.153 250 HB3 ALA 31 HB3 ALA 31 0.155 -5.101 -1.890 251 H TYR 32 H TYR 32 2.366 -6.102 1.010 252 HA TYR 32 HA TYR 32 3.735 -4.026 2.282 253 HB2 TYR 32 HB2 TYR 32 2.452 -5.624 3.552 254 HB3 TYR 32 HB3 TYR 32 3.467 -6.951 3.001 255 HD1 TYR 32 HD1 TYR 32 3.745 -3.712 4.865 256 HD2 TYR 32 HD2 TYR 32 5.132 -7.708 4.390 257 HE1 TYR 32 HE1 TYR 32 5.184 -3.441 6.845 258 HE2 TYR 32 HE2 TYR 32 6.574 -7.451 6.361 259 HH TYR 32 HH TYR 32 6.268 -4.950 8.574 260 H LYS 33 H LYS 33 4.937 -6.898 0.621 261 HA LYS 33 HA LYS 33 7.631 -6.757 1.412 262 HB2 LYS 33 HB2 LYS 33 6.629 -7.585 -1.317 263 HB3 LYS 33 HB3 LYS 33 8.146 -8.052 -0.561 264 HG2 LYS 33 HG2 LYS 33 6.964 -9.317 1.103 265 HG3 LYS 33 HG3 LYS 33 5.421 -8.782 0.442 266 HD2 LYS 33 HD2 LYS 33 6.083 -9.860 -1.726 267 HD3 LYS 33 HD3 LYS 33 7.469 -10.551 -0.880 268 HE2 LYS 33 HE2 LYS 33 4.583 -10.968 -0.114 269 HE3 LYS 33 HE3 LYS 33 5.557 -12.109 -1.039 270 HZ1 LYS 33 HZ1 LYS 33 5.390 -12.595 1.379 271 HZ2 LYS 33 HZ2 LYS 33 6.270 -11.185 1.686 272 HZ3 LYS 33 HZ3 LYS 33 6.981 -12.449 0.808 273 H HIS 34 H HIS 34 5.902 -5.258 -1.283 274 HA HIS 34 HA HIS 34 8.248 -4.058 -2.338 275 HB2 HIS 34 HB2 HIS 34 5.323 -3.707 -2.927 276 HB3 HIS 34 HB3 HIS 34 6.543 -2.707 -3.708 277 HD1 HIS 34 HD1 HIS 34 8.259 -4.007 -5.302 278 HD2 HIS 34 HD2 HIS 34 5.010 -6.211 -3.947 279 HE1 HIS 34 HE1 HIS 34 8.121 -6.047 -6.786 280 H ILE 35 H ILE 35 5.680 -2.994 -0.197 281 HA ILE 35 HA ILE 35 6.423 -0.270 -0.058 282 HB ILE 35 HB ILE 35 5.021 -2.023 1.965 283 HG12 ILE 35 HG12 ILE 35 3.963 0.041 0.022 284 HG13 ILE 35 HG13 ILE 35 3.863 -1.702 -0.198 285 HG21 ILE 35 HG21 ILE 35 6.064 -0.121 3.090 286 HG22 ILE 35 HG22 ILE 35 4.308 0.044 3.060 287 HG23 ILE 35 HG23 ILE 35 5.300 0.981 1.944 288 HD11 ILE 35 HD11 ILE 35 2.551 -0.107 1.986 289 HD12 ILE 35 HD12 ILE 35 2.470 -1.859 1.808 290 HD13 ILE 35 HD13 ILE 35 1.758 -0.814 0.578 291 H LYS 36 H LYS 36 7.299 -3.089 1.886 292 HA LYS 36 HA LYS 36 9.067 -1.792 3.658 293 HB2 LYS 36 HB2 LYS 36 8.197 -3.974 4.167 294 HB3 LYS 36 HB3 LYS 36 8.863 -4.649 2.693 295 HG2 LYS 36 HG2 LYS 36 11.089 -4.501 3.547 296 HG3 LYS 36 HG3 LYS 36 10.536 -3.592 4.957 297 HD2 LYS 36 HD2 LYS 36 10.982 -6.019 5.398 298 HD3 LYS 36 HD3 LYS 36 9.351 -5.487 5.808 299 HE2 LYS 36 HE2 LYS 36 8.543 -6.384 3.662 300 HE3 LYS 36 HE3 LYS 36 10.169 -6.958 3.302 301 HZ1 LYS 36 HZ1 LYS 36 10.041 -8.593 4.899 302 HZ2 LYS 36 HZ2 LYS 36 8.437 -8.557 4.341 303 HZ3 LYS 36 HZ3 LYS 36 8.848 -7.792 5.797 304 H ASP 37 H ASP 37 9.438 -2.916 0.395 305 HA ASP 37 HA ASP 37 12.278 -2.780 0.270 306 HB2 ASP 37 HB2 ASP 37 11.229 -4.020 -1.440 307 HB3 ASP 37 HB3 ASP 37 10.076 -2.737 -1.786 308 H HIS 38 H HIS 38 9.713 -0.513 -0.661 309 HA HIS 38 HA HIS 38 11.691 1.439 -1.488 310 HB2 HIS 38 HB2 HIS 38 8.897 0.923 -2.030 311 HB3 HIS 38 HB3 HIS 38 9.186 2.626 -1.688 312 HD1 HIS 38 HD1 HIS 38 10.952 -0.031 -3.813 313 HD2 HIS 38 HD2 HIS 38 9.746 3.956 -3.946 314 HE1 HIS 38 HE1 HIS 38 11.604 0.812 -6.095 315 HE2 HIS 38 HE2 HIS 38 11.073 3.280 -6.057 316 H PHE 39 H PHE 39 9.407 1.037 1.161 317 HA PHE 39 HA PHE 39 10.250 3.676 2.158 318 HB2 PHE 39 HB2 PHE 39 7.536 2.376 2.420 319 HB3 PHE 39 HB3 PHE 39 8.013 3.874 3.216 320 HD1 PHE 39 HD2 PHE 39 8.859 5.765 1.701 321 HD2 PHE 39 HD1 PHE 39 6.588 2.455 0.299 322 HE1 PHE 39 HE2 PHE 39 8.224 7.057 -0.282 323 HE2 PHE 39 HE1 PHE 39 5.950 3.737 -1.704 324 HZ PHE 39 HZ PHE 39 6.769 6.041 -1.999 325 H ARG 40 H ARG 40 11.919 2.723 3.302 326 HA ARG 40 HA ARG 40 11.199 1.024 5.569 327 HB2 ARG 40 HB2 ARG 40 13.812 1.799 4.288 328 HB3 ARG 40 HB3 ARG 40 13.751 1.016 5.862 329 HG2 ARG 40 HG2 ARG 40 12.935 -0.967 4.989 330 HG3 ARG 40 HG3 ARG 40 12.347 -0.192 3.519 331 HD2 ARG 40 HD2 ARG 40 15.268 -0.155 4.083 332 HD3 ARG 40 HD3 ARG 40 14.534 -1.655 3.522 333 HE ARG 40 HE ARG 40 13.620 -0.080 1.664 334 HH11 ARG 40 HH11 ARG 40 16.776 0.136 3.168 335 HH12 ARG 40 HH12 ARG 40 17.568 0.670 1.713 336 HH21 ARG 40 HH21 ARG 40 14.641 0.646 -0.229 337 HH22 ARG 40 HH22 ARG 40 16.353 0.966 -0.221 338 H HIS 41 H HIS 41 10.620 2.025 7.362 339 HA HIS 41 HA HIS 41 10.650 3.363 9.195 340 HB2 HIS 41 HB2 HIS 41 13.336 4.250 8.124 341 HB3 HIS 41 HB3 HIS 41 12.677 4.755 9.674 342 HD1 HIS 41 HD1 HIS 41 15.287 3.389 9.831 343 HD2 HIS 41 HD2 HIS 41 11.705 1.275 9.803 344 HE1 HIS 41 HE1 HIS 41 15.799 1.167 10.892 345 HE2 HIS 41 HE2 HIS 41 13.582 -0.029 11.014 346 H LYS 42 H LYS 42 10.155 4.414 6.195 347 HA LYS 42 HA LYS 42 10.219 7.249 6.591 348 HB2 LYS 42 HB2 LYS 42 10.548 5.914 4.421 349 HB3 LYS 42 HB3 LYS 42 8.800 5.756 4.398 350 HG2 LYS 42 HG2 LYS 42 8.470 7.980 3.952 351 HG3 LYS 42 HG3 LYS 42 10.031 8.460 4.637 352 HD2 LYS 42 HD2 LYS 42 11.141 7.295 2.747 353 HD3 LYS 42 HD3 LYS 42 9.548 6.981 2.056 354 HE2 LYS 42 HE2 LYS 42 10.486 8.903 0.997 355 HE3 LYS 42 HE3 LYS 42 9.140 9.406 2.015 356 HZ1 LYS 42 HZ1 LYS 42 10.580 10.313 3.600 357 HZ2 LYS 42 HZ2 LYS 42 11.249 10.795 2.114 358 HZ3 LYS 42 HZ3 LYS 42 11.935 9.507 2.973 359 H LEU 43 H LEU 43 8.688 8.443 7.490 360 HA LEU 43 HA LEU 43 6.318 7.429 8.610 361 HB2 LEU 43 HB2 LEU 43 7.152 10.249 7.931 362 HB3 LEU 43 HB3 LEU 43 5.680 9.868 8.800 363 HG LEU 43 HG LEU 43 8.411 9.072 9.801 364 HD11 LEU 43 HD11 LEU 43 8.279 11.518 9.587 365 HD12 LEU 43 HD12 LEU 43 8.300 11.004 11.273 366 HD13 LEU 43 HD13 LEU 43 6.785 11.509 10.523 367 HD21 LEU 43 HD21 LEU 43 7.258 8.835 11.920 368 HD22 LEU 43 HD22 LEU 43 6.478 7.836 10.693 369 HD23 LEU 43 HD23 LEU 43 5.746 9.366 11.181 370 H LEU 44 H LEU 44 4.126 7.730 8.003 371 HA LEU 44 HA LEU 44 3.684 7.303 5.240 372 HB2 LEU 44 HB2 LEU 44 1.414 6.997 5.743 373 HB3 LEU 44 HB3 LEU 44 2.287 6.394 7.135 374 HG LEU 44 HG LEU 44 1.068 9.150 7.067 375 HD11 LEU 44 HD11 LEU 44 -0.661 7.457 6.653 376 HD12 LEU 44 HD12 LEU 44 -0.848 8.232 8.228 377 HD13 LEU 44 HD13 LEU 44 -0.165 6.610 8.119 378 HD21 LEU 44 HD21 LEU 44 2.763 8.798 8.777 379 HD22 LEU 44 HD22 LEU 44 1.932 7.340 9.321 380 HD23 LEU 44 HD23 LEU 44 1.162 8.914 9.508 381 H LYS 45 H LYS 45 3.530 10.142 7.250 382 HA LYS 45 HA LYS 45 2.230 11.768 5.255 383 HB2 LYS 45 HB2 LYS 45 2.622 13.614 6.765 384 HB3 LYS 45 HB3 LYS 45 2.066 12.237 7.706 385 HG2 LYS 45 HG2 LYS 45 4.250 11.784 8.503 386 HG3 LYS 45 HG3 LYS 45 4.967 12.936 7.381 387 HD2 LYS 45 HD2 LYS 45 3.673 14.737 8.556 388 HD3 LYS 45 HD3 LYS 45 3.216 13.525 9.758 389 HE2 LYS 45 HE2 LYS 45 5.080 14.537 10.704 390 HE3 LYS 45 HE3 LYS 45 5.735 13.082 9.956 391 HZ1 LYS 45 HZ1 LYS 45 6.002 15.883 9.086 392 HZ2 LYS 45 HZ2 LYS 45 6.172 14.627 7.963 393 HZ3 LYS 45 HZ3 LYS 45 7.211 14.712 9.301 394 H ASP 46 H ASP 46 5.327 10.573 5.771 395 HA ASP 46 HA ASP 46 6.703 12.878 4.620 396 HB2 ASP 46 HB2 ASP 46 7.588 11.807 6.690 397 HB3 ASP 46 HB3 ASP 46 7.857 10.327 5.779 398 H ILE 47 H ILE 47 5.176 10.174 3.596 399 HA ILE 47 HA ILE 47 6.882 9.008 1.707 400 HB ILE 47 HB ILE 47 3.873 9.256 1.578 401 HG12 ILE 47 HG12 ILE 47 4.561 8.202 3.660 402 HG13 ILE 47 HG13 ILE 47 3.849 7.003 2.589 403 HG21 ILE 47 HG21 ILE 47 3.962 7.264 0.156 404 HG22 ILE 47 HG22 ILE 47 5.724 7.323 0.194 405 HG23 ILE 47 HG23 ILE 47 4.814 8.628 -0.566 406 HD11 ILE 47 HD11 ILE 47 6.777 7.421 3.114 407 HD12 ILE 47 HD12 ILE 47 6.106 6.260 1.967 408 HD13 ILE 47 HD13 ILE 47 5.774 6.090 3.692 409 H LYS 48 H LYS 48 7.795 9.926 0.002 410 HA LYS 48 HA LYS 48 6.961 12.364 -1.178 411 HB2 LYS 48 HB2 LYS 48 8.689 10.195 -2.405 412 HB3 LYS 48 HB3 LYS 48 8.627 11.880 -2.896 413 HG2 LYS 48 HG2 LYS 48 9.757 12.603 -0.989 414 HG3 LYS 48 HG3 LYS 48 9.443 11.102 -0.124 415 HD2 LYS 48 HD2 LYS 48 11.747 11.115 -0.751 416 HD3 LYS 48 HD3 LYS 48 10.922 9.929 -1.759 417 HE2 LYS 48 HE2 LYS 48 11.216 12.703 -2.800 418 HE3 LYS 48 HE3 LYS 48 12.647 11.676 -2.758 419 HZ1 LYS 48 HZ1 LYS 48 11.620 11.445 -4.875 420 HZ2 LYS 48 HZ2 LYS 48 10.106 11.138 -4.191 421 HZ3 LYS 48 HZ3 LYS 48 11.350 9.997 -4.026 422 H ARG 49 H ARG 49 5.248 12.667 -2.509 423 HA ARG 49 HA ARG 49 3.708 10.443 -3.384 424 HB2 ARG 49 HB2 ARG 49 2.267 12.047 -4.495 425 HB3 ARG 49 HB3 ARG 49 2.667 12.599 -2.880 426 HG2 ARG 49 HG2 ARG 49 4.372 14.104 -3.884 427 HG3 ARG 49 HG3 ARG 49 3.779 13.623 -5.478 428 HD2 ARG 49 HD2 ARG 49 1.496 14.362 -4.745 429 HD3 ARG 49 HD3 ARG 49 2.247 15.025 -3.296 430 HE ARG 49 HE ARG 49 3.073 15.932 -5.978 431 HH11 ARG 49 HH11 ARG 49 1.925 16.599 -2.740 432 HH12 ARG 49 HH12 ARG 49 1.878 18.321 -2.960 433 HH21 ARG 49 HH21 ARG 49 2.950 18.208 -6.307 434 HH22 ARG 49 HH22 ARG 49 2.436 19.229 -4.992 435 H THR 50 H THR 50 6.217 12.348 -4.845 436 HA THR 50 HA THR 50 5.965 11.297 -7.474 437 HB THR 50 HB THR 50 8.544 11.893 -7.436 438 HG1 THR 50 HG1 THR 50 7.710 13.664 -5.406 439 HG21 THR 50 HG21 THR 50 6.363 13.975 -7.233 440 HG22 THR 50 HG22 THR 50 6.847 13.117 -8.696 441 HG23 THR 50 HG23 THR 50 7.970 14.229 -7.914 442 H GLU 51 H GLU 51 7.528 10.240 -4.530 443 HA GLU 51 HA GLU 51 9.038 8.105 -5.674 444 HB2 GLU 51 HB2 GLU 51 9.358 9.231 -3.381 445 HB3 GLU 51 HB3 GLU 51 8.034 8.217 -2.832 446 HG2 GLU 51 HG2 GLU 51 9.992 7.097 -2.209 447 HG3 GLU 51 HG3 GLU 51 9.396 6.243 -3.633 448 H TYR 52 H TYR 52 5.871 8.448 -4.185 449 HA TYR 52 HA TYR 52 5.107 5.742 -4.239 450 HB2 TYR 52 HB2 TYR 52 3.922 7.469 -2.939 451 HB3 TYR 52 HB3 TYR 52 3.382 8.224 -4.434 452 HD1 TYR 52 HD2 TYR 52 3.398 4.758 -3.033 453 HD2 TYR 52 HD1 TYR 52 1.155 7.858 -4.892 454 HE1 TYR 52 HE2 TYR 52 1.406 3.321 -3.014 455 HE2 TYR 52 HE1 TYR 52 -0.847 6.429 -4.873 456 HH TYR 52 HH TYR 52 -1.492 4.151 -4.715 457 H GLN 53 H GLN 53 4.655 8.386 -6.550 458 HA GLN 53 HA GLN 53 3.344 6.960 -8.568 459 HB2 GLN 53 HB2 GLN 53 4.109 9.522 -8.285 460 HB3 GLN 53 HB3 GLN 53 5.379 8.977 -9.368 461 HG2 GLN 53 HG2 GLN 53 2.430 8.722 -9.918 462 HG3 GLN 53 HG3 GLN 53 3.463 10.008 -10.530 463 HE21 GLN 53 HE21 GLN 53 2.586 6.670 -10.777 464 HE22 GLN 53 HE22 GLN 53 3.443 6.334 -12.241 465 H LYS 54 H LYS 54 6.832 7.516 -8.086 466 HA LYS 54 HA LYS 54 7.787 5.956 -10.196 467 HB2 LYS 54 HB2 LYS 54 8.876 7.049 -7.692 468 HB3 LYS 54 HB3 LYS 54 9.711 5.621 -8.285 469 HG2 LYS 54 HG2 LYS 54 10.710 7.746 -9.044 470 HG3 LYS 54 HG3 LYS 54 10.208 6.694 -10.366 471 HD2 LYS 54 HD2 LYS 54 8.172 8.019 -10.648 472 HD3 LYS 54 HD3 LYS 54 8.665 9.064 -9.312 473 HE2 LYS 54 HE2 LYS 54 9.154 10.021 -11.546 474 HE3 LYS 54 HE3 LYS 54 10.588 9.813 -10.541 475 HZ1 LYS 54 HZ1 LYS 54 11.108 7.789 -11.745 476 HZ2 LYS 54 HZ2 LYS 54 10.974 9.092 -12.814 477 HZ3 LYS 54 HZ3 LYS 54 9.716 7.960 -12.700 478 H PHE 55 H PHE 55 7.022 5.071 -6.874 479 HA PHE 55 HA PHE 55 7.787 2.402 -6.878 480 HB2 PHE 55 HB2 PHE 55 7.143 3.499 -4.840 481 HB3 PHE 55 HB3 PHE 55 5.536 3.840 -5.464 482 HD1 PHE 55 HD2 PHE 55 7.771 0.994 -4.599 483 HD2 PHE 55 HD1 PHE 55 3.788 2.447 -4.947 484 HE1 PHE 55 HE2 PHE 55 6.932 -1.080 -3.578 485 HE2 PHE 55 HE1 PHE 55 2.936 0.375 -3.925 486 HZ PHE 55 HZ PHE 55 4.509 -1.392 -3.239 487 H LEU 56 H LEU 56 4.687 3.850 -7.820 488 HA LEU 56 HA LEU 56 3.395 1.427 -8.467 489 HB2 LEU 56 HB2 LEU 56 2.892 4.235 -9.448 490 HB3 LEU 56 HB3 LEU 56 1.830 2.877 -9.760 491 HG LEU 56 HG LEU 56 2.488 3.989 -7.032 492 HD11 LEU 56 HD11 LEU 56 0.154 4.736 -7.036 493 HD12 LEU 56 HD12 LEU 56 -0.014 4.178 -8.701 494 HD13 LEU 56 HD13 LEU 56 1.091 5.499 -8.321 495 HD21 LEU 56 HD21 LEU 56 2.062 1.585 -6.985 496 HD22 LEU 56 HD22 LEU 56 0.553 1.829 -7.865 497 HD23 LEU 56 HD23 LEU 56 0.739 2.481 -6.237 498 H ASN 57 H ASN 57 5.275 3.707 -10.422 499 HA ASN 57 HA ASN 57 4.732 2.549 -12.919 500 HB2 ASN 57 HB2 ASN 57 7.143 4.117 -11.992 501 HB3 ASN 57 HB3 ASN 57 6.870 3.643 -13.665 502 HD21 ASN 57 HD21 ASN 57 7.099 6.294 -12.601 503 HD22 ASN 57 HD22 ASN 57 5.608 7.105 -12.940 504 H GLU 58 H GLU 58 7.422 1.957 -10.666 505 HA GLU 58 HA GLU 58 8.720 0.007 -12.232 506 HB2 GLU 58 HB2 GLU 58 8.656 0.320 -9.223 507 HB3 GLU 58 HB3 GLU 58 9.766 -0.722 -10.100 508 HG2 GLU 58 HG2 GLU 58 9.612 2.278 -10.281 509 HG3 GLU 58 HG3 GLU 58 10.850 1.336 -9.453 510 H TYR 59 H TYR 59 6.078 -0.159 -9.938 511 HA TYR 59 HA TYR 59 5.971 -2.991 -9.744 512 HB2 TYR 59 HB2 TYR 59 4.949 -1.296 -8.146 513 HB3 TYR 59 HB3 TYR 59 3.671 -1.074 -9.333 514 HD1 TYR 59 HD2 TYR 59 2.076 -2.903 -9.792 515 HD2 TYR 59 HD1 TYR 59 5.039 -3.254 -6.757 516 HE1 TYR 59 HE2 TYR 59 0.849 -4.795 -8.816 517 HE2 TYR 59 HE1 TYR 59 3.820 -5.148 -5.780 518 HH TYR 59 HH TYR 59 1.494 -6.019 -5.745 519 H GLY 60 H GLY 60 4.310 -0.613 -11.772 520 HA2 GLY 60 HA2 GLY 60 2.627 -2.518 -13.078 521 HA3 GLY 60 HA3 GLY 60 2.907 -0.858 -13.580 522 H LEU 61 H LEU 61 5.914 -1.775 -13.441 523 HA LEU 61 HA LEU 61 6.045 -2.589 -16.221 524 HB2 LEU 61 HB2 LEU 61 8.189 -1.935 -14.199 525 HB3 LEU 61 HB3 LEU 61 8.521 -2.402 -15.854 526 HG LEU 61 HG LEU 61 6.959 0.052 -15.047 527 HD11 LEU 61 HD11 LEU 61 8.936 1.298 -15.744 528 HD12 LEU 61 HD12 LEU 61 9.792 -0.216 -16.035 529 HD13 LEU 61 HD13 LEU 61 9.304 0.222 -14.398 530 HD21 LEU 61 HD21 LEU 61 8.007 -0.857 -17.723 531 HD22 LEU 61 HD22 LEU 61 7.204 0.680 -17.395 532 HD23 LEU 61 HD23 LEU 61 6.315 -0.835 -17.227 533 H THR 62 H THR 62 5.928 -4.096 -13.205 534 HA THR 62 HA THR 62 7.127 -6.542 -14.320 535 HB THR 62 HB THR 62 7.785 -7.016 -11.861 536 HG1 THR 62 HG1 THR 62 7.850 -4.173 -11.733 537 HG21 THR 62 HG21 THR 62 9.932 -5.866 -12.163 538 HG22 THR 62 HG22 THR 62 9.230 -4.898 -13.459 539 HG23 THR 62 HG23 THR 62 9.402 -6.642 -13.657 540 H HIS 63 H HIS 63 4.300 -5.311 -13.553 541 HA HIS 63 HA HIS 63 3.189 -7.895 -12.818 542 HB2 HIS 63 HB2 HIS 63 2.949 -5.428 -11.128 543 HB3 HIS 63 HB3 HIS 63 1.625 -6.586 -11.174 544 HD1 HIS 63 HD1 HIS 63 4.812 -5.929 -9.522 545 HD2 HIS 63 HD2 HIS 63 2.453 -9.262 -10.319 546 HE1 HIS 63 HE1 HIS 63 5.612 -7.719 -7.957 547 HE2 HIS 63 HE2 HIS 63 4.348 -9.786 -8.640 548 H SER 64 H SER 64 0.654 -7.619 -12.776 549 HA SER 64 HA SER 64 -0.003 -6.431 -15.339 550 HB2 SER 64 HB2 SER 64 -0.708 -8.755 -14.779 551 HB3 SER 64 HB3 SER 64 -1.719 -8.107 -13.490 552 HG SER 64 HG SER 64 -2.616 -8.540 -15.757 553 H TYR 65 H TYR 65 -2.263 -5.397 -15.470 554 HA TYR 65 HA TYR 65 -2.189 -3.010 -13.968 555 HB2 TYR 65 HB2 TYR 65 -3.130 -2.968 -16.181 556 HB3 TYR 65 HB3 TYR 65 -4.346 -4.165 -15.741 557 HD1 TYR 65 HD2 TYR 65 -3.198 -0.716 -14.905 558 HD2 TYR 65 HD1 TYR 65 -6.441 -3.475 -14.998 559 HE1 TYR 65 HE2 TYR 65 -4.742 1.087 -14.259 560 HE2 TYR 65 HE1 TYR 65 -7.992 -1.676 -14.362 561 HH TYR 65 HH TYR 65 -7.155 1.605 -14.452 562 H GLU 66 H GLU 66 -4.248 -5.878 -13.750 563 HA GLU 66 HA GLU 66 -5.940 -4.946 -11.722 564 HB2 GLU 66 HB2 GLU 66 -5.209 -7.575 -12.853 565 HB3 GLU 66 HB3 GLU 66 -5.887 -7.599 -11.229 566 HG2 GLU 66 HG2 GLU 66 -7.242 -6.023 -13.354 567 HG3 GLU 66 HG3 GLU 66 -7.436 -7.771 -13.320 568 H THR 67 H THR 67 -2.762 -6.406 -11.620 569 HA THR 67 HA THR 67 -2.690 -6.861 -8.827 570 HB THR 67 HB THR 67 -0.211 -6.314 -10.418 571 HG1 THR 67 HG1 THR 67 -1.716 -8.736 -10.590 572 HG21 THR 67 HG21 THR 67 0.012 -6.946 -8.076 573 HG22 THR 67 HG22 THR 67 0.616 -8.235 -9.115 574 HG23 THR 67 HG23 THR 67 -0.967 -8.386 -8.354 575 H ILE 68 H ILE 68 -1.526 -4.202 -10.904 576 HA ILE 68 HA ILE 68 -0.420 -2.742 -8.710 577 HB ILE 68 HB ILE 68 0.472 -2.473 -10.984 578 HG12 ILE 68 HG12 ILE 68 -0.664 0.066 -9.795 579 HG13 ILE 68 HG13 ILE 68 0.847 -0.707 -9.337 580 HG21 ILE 68 HG21 ILE 68 -1.552 -2.609 -12.289 581 HG22 ILE 68 HG22 ILE 68 -0.732 -1.085 -12.627 582 HG23 ILE 68 HG23 ILE 68 -2.148 -1.110 -11.576 583 HD11 ILE 68 HD11 ILE 68 1.737 -0.279 -11.570 584 HD12 ILE 68 HD12 ILE 68 1.243 1.209 -10.761 585 HD13 ILE 68 HD13 ILE 68 0.221 0.505 -12.015 586 H ARG 69 H ARG 69 -3.519 -2.686 -10.406 587 HA ARG 69 HA ARG 69 -4.467 -0.305 -9.174 588 HB2 ARG 69 HB2 ARG 69 -5.468 -1.342 -11.231 589 HB3 ARG 69 HB3 ARG 69 -6.153 -2.595 -10.202 590 HG2 ARG 69 HG2 ARG 69 -7.369 -0.856 -8.944 591 HG3 ARG 69 HG3 ARG 69 -6.733 0.356 -10.055 592 HD2 ARG 69 HD2 ARG 69 -8.982 -0.250 -10.692 593 HD3 ARG 69 HD3 ARG 69 -7.842 -0.804 -11.918 594 HE ARG 69 HE ARG 69 -8.368 -2.983 -11.402 595 HH11 ARG 69 HH11 ARG 69 -9.747 -0.847 -8.983 596 HH12 ARG 69 HH12 ARG 69 -10.760 -2.081 -8.290 597 HH21 ARG 69 HH21 ARG 69 -9.669 -4.599 -10.489 598 HH22 ARG 69 HH22 ARG 69 -10.705 -4.217 -9.134 599 H LYS 70 H LYS 70 -4.767 -3.750 -8.372 600 HA LYS 70 HA LYS 70 -6.288 -3.550 -6.048 601 HB2 LYS 70 HB2 LYS 70 -4.437 -5.486 -7.216 602 HB3 LYS 70 HB3 LYS 70 -4.372 -5.481 -5.462 603 HG2 LYS 70 HG2 LYS 70 -5.928 -7.146 -6.224 604 HG3 LYS 70 HG3 LYS 70 -6.793 -5.862 -5.383 605 HD2 LYS 70 HD2 LYS 70 -7.589 -4.952 -7.442 606 HD3 LYS 70 HD3 LYS 70 -6.525 -6.001 -8.383 607 HE2 LYS 70 HE2 LYS 70 -7.752 -7.947 -7.701 608 HE3 LYS 70 HE3 LYS 70 -8.727 -6.997 -6.580 609 HZ1 LYS 70 HZ1 LYS 70 -9.707 -5.841 -8.433 610 HZ2 LYS 70 HZ2 LYS 70 -9.904 -7.506 -8.651 611 HZ3 LYS 70 HZ3 LYS 70 -8.724 -6.674 -9.534 612 H LEU 71 H LEU 71 -2.772 -3.407 -6.450 613 HA LEU 71 HA LEU 71 -1.980 -2.927 -3.849 614 HB2 LEU 71 HB2 LEU 71 -0.379 -3.384 -5.566 615 HB3 LEU 71 HB3 LEU 71 -0.855 -1.962 -6.472 616 HG LEU 71 HG LEU 71 0.032 -0.562 -4.584 617 HD11 LEU 71 HD11 LEU 71 1.189 -3.193 -3.680 618 HD12 LEU 71 HD12 LEU 71 -0.047 -2.260 -2.835 619 HD13 LEU 71 HD13 LEU 71 1.580 -1.604 -3.021 620 HD21 LEU 71 HD21 LEU 71 1.283 -0.924 -6.643 621 HD22 LEU 71 HD22 LEU 71 1.976 -2.400 -5.972 622 HD23 LEU 71 HD23 LEU 71 2.364 -0.838 -5.251 623 H ASN 72 H ASN 72 -2.570 -0.452 -6.356 624 HA ASN 72 HA ASN 72 -2.198 1.805 -4.765 625 HB2 ASN 72 HB2 ASN 72 -2.370 1.839 -7.237 626 HB3 ASN 72 HB3 ASN 72 -4.092 1.502 -7.108 627 HD21 ASN 72 HD21 ASN 72 -4.775 3.376 -8.069 628 HD22 ASN 72 HD22 ASN 72 -4.573 4.941 -7.355 629 H SER 73 H SER 73 -5.083 -0.139 -5.308 630 HA SER 73 HA SER 73 -6.944 1.547 -4.062 631 HB2 SER 73 HB2 SER 73 -7.546 -0.365 -5.519 632 HB3 SER 73 HB3 SER 73 -7.000 -1.477 -4.264 633 HG SER 73 HG SER 73 -9.255 0.201 -4.313 634 H TYR 74 H TYR 74 -4.797 -0.935 -2.755 635 HA TYR 74 HA TYR 74 -5.940 -0.951 -0.143 636 HB2 TYR 74 HB2 TYR 74 -3.129 -1.731 -0.947 637 HB3 TYR 74 HB3 TYR 74 -3.957 -2.190 0.534 638 HD1 TYR 74 HD1 TYR 74 -6.650 -2.852 -0.739 639 HD2 TYR 74 HD2 TYR 74 -2.659 -3.872 -1.798 640 HE1 TYR 74 HE1 TYR 74 -7.470 -4.893 -1.836 641 HE2 TYR 74 HE2 TYR 74 -3.463 -5.912 -2.904 642 HH TYR 74 HH TYR 74 -5.361 -7.383 -2.895 643 H ILE 75 H ILE 75 -3.056 0.575 -1.539 644 HA ILE 75 HA ILE 75 -2.179 1.807 0.835 645 HB ILE 75 HB ILE 75 -1.636 2.545 -2.043 646 HG12 ILE 75 HG12 ILE 75 -0.035 0.933 -0.038 647 HG13 ILE 75 HG13 ILE 75 -0.937 0.267 -1.393 648 HG21 ILE 75 HG21 ILE 75 -1.205 4.435 -0.563 649 HG22 ILE 75 HG22 ILE 75 0.302 3.769 -1.189 650 HG23 ILE 75 HG23 ILE 75 -0.199 3.412 0.464 651 HD11 ILE 75 HD11 ILE 75 1.432 2.107 -1.587 652 HD12 ILE 75 HD12 ILE 75 0.528 1.440 -2.948 653 HD13 ILE 75 HD13 ILE 75 1.433 0.368 -1.878 654 H ARG 76 H ARG 76 -4.173 3.005 -1.856 655 HA ARG 76 HA ARG 76 -4.500 5.621 -0.931 656 HB2 ARG 76 HB2 ARG 76 -5.276 4.944 -3.155 657 HB3 ARG 76 HB3 ARG 76 -6.510 3.920 -2.427 658 HG2 ARG 76 HG2 ARG 76 -7.297 6.093 -1.275 659 HG3 ARG 76 HG3 ARG 76 -6.356 6.902 -2.525 660 HD2 ARG 76 HD2 ARG 76 -7.685 5.959 -4.252 661 HD3 ARG 76 HD3 ARG 76 -8.471 4.848 -3.126 662 HE ARG 76 HE ARG 76 -9.020 7.699 -3.459 663 HH11 ARG 76 HH11 ARG 76 -9.611 4.727 -1.696 664 HH12 ARG 76 HH12 ARG 76 -11.034 5.334 -0.894 665 HH21 ARG 76 HH21 ARG 76 -10.906 8.496 -2.402 666 HH22 ARG 76 HH22 ARG 76 -11.756 7.466 -1.293 667 H ASN 77 H ASN 77 -6.325 2.674 -0.170 668 HA ASN 77 HA ASN 77 -8.325 3.981 1.347 669 HB2 ASN 77 HB2 ASN 77 -8.397 1.612 0.360 670 HB3 ASN 77 HB3 ASN 77 -7.480 1.123 1.784 671 HD21 ASN 77 HD21 ASN 77 -8.457 1.367 3.849 672 HD22 ASN 77 HD22 ASN 77 -10.176 1.454 4.019 673 H ALA 78 H ALA 78 -5.180 2.641 2.153 674 HA ALA 78 HA ALA 78 -5.400 2.711 4.956 675 HB1 ALA 78 HB1 ALA 78 -3.565 1.570 3.822 676 HB2 ALA 78 HB2 ALA 78 -2.947 2.755 4.972 677 HB3 ALA 78 HB3 ALA 78 -2.943 3.117 3.246 678 H PHE 79 H PHE 79 -4.246 5.149 2.646 679 HA PHE 79 HA PHE 79 -3.825 7.133 4.666 680 HB2 PHE 79 HB2 PHE 79 -3.849 7.207 1.659 681 HB3 PHE 79 HB3 PHE 79 -3.686 8.677 2.618 682 HD1 PHE 79 HD1 PHE 79 -1.830 8.700 4.382 683 HD2 PHE 79 HD2 PHE 79 -1.959 5.960 1.127 684 HE1 PHE 79 HE1 PHE 79 0.580 8.306 4.627 685 HE2 PHE 79 HE2 PHE 79 0.457 5.564 1.368 686 HZ PHE 79 HZ PHE 79 1.725 6.735 3.127 687 H ASP 80 H ASP 80 -6.444 6.308 2.496 688 HA ASP 80 HA ASP 80 -8.009 8.627 2.915 689 HB2 ASP 80 HB2 ASP 80 -8.387 7.067 1.047 690 HB3 ASP 80 HB3 ASP 80 -8.882 5.819 2.185 691 H ASP 81 H ASP 81 -7.718 5.570 4.635 692 HA ASP 81 HA ASP 81 -9.838 6.112 6.473 693 HB2 ASP 81 HB2 ASP 81 -8.784 3.834 5.926 694 HB3 ASP 81 HB3 ASP 81 -7.482 4.304 7.014 695 H ALA 82 H ALA 82 -6.355 6.610 6.449 696 HA ALA 82 HA ALA 82 -6.039 7.595 9.060 697 HB1 ALA 82 HB1 ALA 82 -4.153 6.945 7.669 698 HB2 ALA 82 HB2 ALA 82 -3.969 8.611 8.221 699 HB3 ALA 82 HB3 ALA 82 -4.484 8.281 6.567 700 H ILE 83 H ILE 83 -6.543 9.360 5.992 701 HA ILE 83 HA ILE 83 -6.704 11.927 7.162 702 HB ILE 83 HB ILE 83 -6.360 11.386 4.697 703 HG12 ILE 83 HG12 ILE 83 -8.450 13.462 5.369 704 HG13 ILE 83 HG13 ILE 83 -6.715 13.674 5.587 705 HG21 ILE 83 HG21 ILE 83 -8.221 9.897 4.326 706 HG22 ILE 83 HG22 ILE 83 -8.407 11.325 3.306 707 HG23 ILE 83 HG23 ILE 83 -9.368 11.159 4.780 708 HD11 ILE 83 HD11 ILE 83 -7.523 14.761 3.561 709 HD12 ILE 83 HD12 ILE 83 -8.106 13.209 2.956 710 HD13 ILE 83 HD13 ILE 83 -6.378 13.474 3.191 711 H HIS 84 H HIS 84 -9.006 9.383 6.680 712 HA HIS 84 HA HIS 84 -11.420 10.729 6.995 713 HB2 HIS 84 HB2 HIS 84 -11.146 8.353 6.311 714 HB3 HIS 84 HB3 HIS 84 -10.713 7.952 7.969 715 HD1 HIS 84 HD1 HIS 84 -12.598 6.913 9.152 716 HD2 HIS 84 HD2 HIS 84 -13.861 9.747 6.381 717 HE1 HIS 84 HE1 HIS 84 -15.113 6.922 9.292 718 HE2 HIS 84 HE2 HIS 84 -15.858 8.488 7.460 719 H GLU 85 H GLU 85 -8.979 9.934 9.329 720 HA GLU 85 HA GLU 85 -10.757 10.944 11.455 721 HB2 GLU 85 HB2 GLU 85 -8.517 8.931 11.651 722 HB3 GLU 85 HB3 GLU 85 -9.306 9.657 13.047 723 HG2 GLU 85 HG2 GLU 85 -11.458 8.755 12.257 724 HG3 GLU 85 HG3 GLU 85 -10.607 7.956 10.937 725 H GLY 86 H GLY 86 -8.151 11.699 9.582 726 HA2 GLY 86 HA2 GLY 86 -7.030 13.750 9.652 727 HA3 GLY 86 HA3 GLY 86 -7.528 13.937 11.328 728 H TYR 87 H TYR 87 -6.136 10.932 10.393 729 HA TYR 87 HA TYR 87 -3.985 11.297 12.239 730 HB2 TYR 87 HB2 TYR 87 -5.141 9.100 11.795 731 HB3 TYR 87 HB3 TYR 87 -4.322 9.055 10.236 732 HD1 TYR 87 HD1 TYR 87 -3.474 9.597 13.827 733 HD2 TYR 87 HD2 TYR 87 -2.377 7.815 10.125 734 HE1 TYR 87 HE1 TYR 87 -1.499 8.607 14.903 735 HE2 TYR 87 HE2 TYR 87 -0.390 6.816 11.194 736 HH TYR 87 HH TYR 87 0.020 6.617 14.505 737 H VAL 88 H VAL 88 -4.409 11.683 8.830 738 HA VAL 88 HA VAL 88 -1.698 12.774 8.714 739 HB VAL 88 HB VAL 88 -1.732 10.519 7.592 740 HG11 VAL 88 HG11 VAL 88 -3.535 11.905 5.616 741 HG12 VAL 88 HG12 VAL 88 -3.983 10.576 6.684 742 HG13 VAL 88 HG13 VAL 88 -2.799 10.315 5.403 743 HG21 VAL 88 HG21 VAL 88 -0.052 12.160 7.022 744 HG22 VAL 88 HG22 VAL 88 -1.142 12.911 5.856 745 HG23 VAL 88 HG23 VAL 88 -0.544 11.276 5.576 746 H ILE 89 H ILE 89 -1.521 14.627 7.420 747 HA ILE 89 HA ILE 89 -4.064 15.988 7.133 748 HB ILE 89 HB ILE 89 -2.190 17.082 8.308 749 HG12 ILE 89 HG12 ILE 89 -2.354 19.283 7.137 750 HG13 ILE 89 HG13 ILE 89 -3.139 18.464 5.789 751 HG21 ILE 89 HG21 ILE 89 -0.325 16.252 7.027 752 HG22 ILE 89 HG22 ILE 89 -0.319 18.016 7.009 753 HG23 ILE 89 HG23 ILE 89 -0.880 17.123 5.596 754 HD11 ILE 89 HD11 ILE 89 -4.758 19.557 7.242 755 HD12 ILE 89 HD12 ILE 89 -4.180 18.607 8.612 756 HD13 ILE 89 HD13 ILE 89 -4.971 17.807 7.254 757 H LYS 90 H LYS 90 -1.510 14.756 5.082 758 HA LYS 90 HA LYS 90 -3.148 15.409 2.754 759 HB2 LYS 90 HB2 LYS 90 -0.218 16.064 3.056 760 HB3 LYS 90 HB3 LYS 90 -1.012 15.961 1.493 761 HG2 LYS 90 HG2 LYS 90 -2.590 17.740 2.265 762 HG3 LYS 90 HG3 LYS 90 -1.592 17.912 3.710 763 HD2 LYS 90 HD2 LYS 90 0.306 18.562 2.397 764 HD3 LYS 90 HD3 LYS 90 -0.544 18.188 0.896 765 HE2 LYS 90 HE2 LYS 90 -0.580 20.551 1.154 766 HE3 LYS 90 HE3 LYS 90 -2.205 19.963 1.497 767 HZ1 LYS 90 HZ1 LYS 90 -1.553 21.626 3.090 768 HZ2 LYS 90 HZ2 LYS 90 -0.162 20.750 3.510 769 HZ3 LYS 90 HZ3 LYS 90 -1.696 20.132 3.874 770 H ASN 91 H ASN 91 -3.242 13.827 1.283 771 HA ASN 91 HA ASN 91 -1.944 11.311 1.932 772 HB2 ASN 91 HB2 ASN 91 -4.107 12.061 -0.042 773 HB3 ASN 91 HB3 ASN 91 -3.435 10.440 0.074 774 HD21 ASN 91 HD21 ASN 91 -5.512 9.660 0.591 775 HD22 ASN 91 HD22 ASN 91 -6.176 9.864 2.174 776 HA PRO 92 HA PRO 92 1.136 11.960 -1.263 777 HB2 PRO 92 HB2 PRO 92 1.980 9.228 -0.727 778 HB3 PRO 92 HB3 PRO 92 2.834 10.740 -0.412 779 HG2 PRO 92 HG2 PRO 92 1.848 9.173 1.570 780 HG3 PRO 92 HG3 PRO 92 1.983 10.935 1.713 781 HD2 PRO 92 HD2 PRO 92 -0.428 9.262 1.090 782 HD3 PRO 92 HD3 PRO 92 -0.282 10.682 2.149 783 H THR 93 H THR 93 -1.579 10.201 -1.459 784 HA THR 93 HA THR 93 -0.939 8.519 -3.712 785 HB THR 93 HB THR 93 -3.515 8.326 -3.773 786 HG1 THR 93 HG1 THR 93 -4.473 9.705 -2.480 787 HG21 THR 93 HG21 THR 93 -2.057 6.592 -2.852 788 HG22 THR 93 HG22 THR 93 -3.518 6.764 -1.878 789 HG23 THR 93 HG23 THR 93 -1.994 7.452 -1.314 790 H TYR 94 H TYR 94 -1.023 11.695 -3.454 791 HA TYR 94 HA TYR 94 -2.717 12.461 -5.629 792 HB2 TYR 94 HB2 TYR 94 -2.163 13.992 -3.758 793 HB3 TYR 94 HB3 TYR 94 -0.482 14.004 -4.283 794 HD1 TYR 94 HD1 TYR 94 -3.898 15.085 -5.114 795 HD2 TYR 94 HD2 TYR 94 0.215 15.323 -6.179 796 HE1 TYR 94 HE1 TYR 94 -4.401 16.958 -6.623 797 HE2 TYR 94 HE2 TYR 94 -0.278 17.199 -7.691 798 HH TYR 94 HH TYR 94 -2.263 18.053 -8.961 799 H LYS 95 H LYS 95 -2.192 12.847 -7.715 800 HA LYS 95 HA LYS 95 -1.034 13.047 -9.653 801 HB2 LYS 95 HB2 LYS 95 0.641 14.262 -8.026 802 HB3 LYS 95 HB3 LYS 95 1.618 12.823 -8.289 803 HG2 LYS 95 HG2 LYS 95 2.291 14.526 -9.834 804 HG3 LYS 95 HG3 LYS 95 1.486 13.231 -10.726 805 HD2 LYS 95 HD2 LYS 95 -0.620 14.577 -10.612 806 HD3 LYS 95 HD3 LYS 95 0.327 15.897 -9.926 807 HE2 LYS 95 HE2 LYS 95 0.089 16.294 -12.264 808 HE3 LYS 95 HE3 LYS 95 1.762 15.828 -11.956 809 HZ1 LYS 95 HZ1 LYS 95 0.753 14.749 -13.928 810 HZ2 LYS 95 HZ2 LYS 95 -0.331 13.945 -12.902 811 HZ3 LYS 95 HZ3 LYS 95 1.329 13.643 -12.778 812 H ALA 96 H ALA 96 -1.191 10.456 -7.791 813 HA ALA 96 HA ALA 96 0.704 8.695 -9.002 814 HB1 ALA 96 HB1 ALA 96 -0.132 8.311 -6.741 815 HB2 ALA 96 HB2 ALA 96 -0.469 6.933 -7.788 816 HB3 ALA 96 HB3 ALA 96 -1.759 8.064 -7.379 817 H GLU 97 H GLU 97 0.363 7.113 -10.522 818 HA GLU 97 HA GLU 97 -2.217 7.017 -11.895 819 HB2 GLU 97 HB2 GLU 97 0.453 7.537 -13.199 820 HB3 GLU 97 HB3 GLU 97 -0.942 6.945 -14.089 821 HG2 GLU 97 HG2 GLU 97 -2.185 8.952 -13.492 822 HG3 GLU 97 HG3 GLU 97 -0.794 9.546 -12.582 823 H LEU 98 H LEU 98 -2.525 5.091 -13.148 824 HA LEU 98 HA LEU 98 -0.762 2.877 -12.303 825 HB2 LEU 98 HB2 LEU 98 -3.697 2.782 -13.018 826 HB3 LEU 98 HB3 LEU 98 -2.718 1.411 -12.533 827 HG LEU 98 HG LEU 98 -3.363 3.786 -10.785 828 HD11 LEU 98 HD11 LEU 98 -4.789 2.236 -9.562 829 HD12 LEU 98 HD12 LEU 98 -4.426 0.966 -10.732 830 HD13 LEU 98 HD13 LEU 98 -5.323 2.400 -11.234 831 HD21 LEU 98 HD21 LEU 98 -1.957 1.191 -10.180 832 HD22 LEU 98 HD22 LEU 98 -2.396 2.426 -9.000 833 HD23 LEU 98 HD23 LEU 98 -1.210 2.789 -10.253 834 H HIS 99 H HIS 99 0.622 2.786 -14.042 835 HA HIS 99 HA HIS 99 -0.650 2.188 -16.637 836 HB2 HIS 99 HB2 HIS 99 1.947 3.645 -16.111 837 HB3 HIS 99 HB3 HIS 99 1.459 3.059 -17.696 838 HD1 HIS 99 HD1 HIS 99 -0.524 4.289 -18.864 839 HD2 HIS 99 HD2 HIS 99 0.702 5.966 -15.253 840 HE1 HIS 99 HE1 HIS 99 -1.572 6.584 -18.781 841 HE2 HIS 99 HE2 HIS 99 -0.737 7.618 -16.631 842 H ALA 100 H ALA 100 -0.647 -0.022 -16.387 843 HA ALA 100 HA ALA 100 1.803 -1.435 -15.848 844 HB1 ALA 100 HB1 ALA 100 -0.847 -2.445 -16.885 845 HB2 ALA 100 HB2 ALA 100 -0.326 -2.429 -15.201 846 HB3 ALA 100 HB3 ALA 100 0.506 -3.453 -16.370 847 H SER 101 H SER 101 3.234 -0.694 -17.377 848 HA SER 101 HA SER 101 2.593 -0.325 -20.104 849 HB2 SER 101 HB2 SER 101 4.430 0.836 -18.826 850 HB3 SER 101 HB3 SER 101 5.360 -0.656 -18.937 851 HG SER 101 HG SER 101 5.131 -0.460 -21.257 852 H VAL 102 H VAL 102 3.082 -3.145 -18.410 853 HA VAL 102 HA VAL 102 4.399 -4.730 -20.362 854 HB VAL 102 HB VAL 102 2.391 -5.670 -18.307 855 HG11 VAL 102 HG11 VAL 102 3.598 -7.786 -18.439 856 HG12 VAL 102 HG12 VAL 102 4.661 -7.108 -19.673 857 HG13 VAL 102 HG13 VAL 102 2.944 -7.319 -20.011 858 HG21 VAL 102 HG21 VAL 102 5.370 -5.283 -18.006 859 HG22 VAL 102 HG22 VAL 102 4.314 -6.064 -16.828 860 HG23 VAL 102 HG23 VAL 102 4.106 -4.353 -17.199 861 H LEU 103 H LEU 103 1.044 -3.852 -19.741 862 HA LEU 103 HA LEU 103 0.282 -5.253 -22.206 863 HB2 LEU 103 HB2 LEU 103 -2.029 -5.329 -21.232 864 HB3 LEU 103 HB3 LEU 103 -0.834 -6.353 -20.464 865 HG LEU 103 HG LEU 103 -0.592 -4.513 -18.715 866 HD11 LEU 103 HD11 LEU 103 -2.400 -2.960 -18.458 867 HD12 LEU 103 HD12 LEU 103 -3.223 -3.624 -19.871 868 HD13 LEU 103 HD13 LEU 103 -1.696 -2.764 -20.065 869 HD21 LEU 103 HD21 LEU 103 -2.568 -5.286 -17.489 870 HD22 LEU 103 HD22 LEU 103 -1.724 -6.614 -18.285 871 HD23 LEU 103 HD23 LEU 103 -3.213 -5.975 -18.980 872 H GLU 104 H GLU 104 0.972 -2.299 -21.148 873 HA GLU 104 HA GLU 104 -1.272 -0.864 -22.250 874 HB2 GLU 104 HB2 GLU 104 -0.040 0.055 -20.333 875 HB3 GLU 104 HB3 GLU 104 1.419 0.153 -21.311 876 HG2 GLU 104 HG2 GLU 104 0.512 1.863 -22.664 877 HG3 GLU 104 HG3 GLU 104 -1.110 1.605 -22.029 878 H HIS 105 H HIS 105 -1.440 -1.424 -24.338 879 HA HIS 105 HA HIS 105 0.275 -0.089 -26.216 880 HB2 HIS 105 HB2 HIS 105 1.556 -2.159 -25.915 881 HB3 HIS 105 HB3 HIS 105 0.113 -3.121 -26.203 882 HD1 HIS 105 HD1 HIS 105 -0.382 -3.757 -28.571 883 HD2 HIS 105 HD2 HIS 105 2.497 -0.759 -28.293 884 HE1 HIS 105 HE1 HIS 105 0.508 -3.444 -30.903 885 HE2 HIS 105 HE2 HIS 105 2.124 -1.524 -30.742 886 H HIS 106 H HIS 106 -1.043 0.656 -27.794 887 HA HIS 106 HA HIS 106 -3.651 -0.694 -28.083 888 HB2 HIS 106 HB2 HIS 106 -3.767 1.500 -26.891 889 HB3 HIS 106 HB3 HIS 106 -3.150 2.274 -28.347 890 HD1 HIS 106 HD1 HIS 106 -5.159 3.597 -29.067 891 HD2 HIS 106 HD2 HIS 106 -6.065 -0.389 -28.265 892 HE1 HIS 106 HE1 HIS 106 -7.548 3.280 -29.788 893 HE2 HIS 106 HE2 HIS 106 -8.067 0.854 -29.350 894 H HIS 107 H HIS 107 -3.782 -1.650 -29.957 895 HA HIS 107 HA HIS 107 -3.142 -0.080 -32.361 896 HB2 HIS 107 HB2 HIS 107 -1.381 -1.844 -31.960 897 HB3 HIS 107 HB3 HIS 107 -2.646 -3.059 -32.118 898 HD1 HIS 107 HD1 HIS 107 -3.300 -3.755 -34.470 899 HD2 HIS 107 HD2 HIS 107 -0.830 -0.406 -34.380 900 HE1 HIS 107 HE1 HIS 107 -2.635 -3.333 -36.859 901 HE2 HIS 107 HE2 HIS 107 -0.985 -1.427 -36.748 902 H HIS 108 H HIS 108 -4.961 0.176 -33.503 903 HA HIS 108 HA HIS 108 -7.134 -1.737 -32.968 904 HB2 HIS 108 HB2 HIS 108 -8.742 -0.003 -33.381 905 HB3 HIS 108 HB3 HIS 108 -7.561 0.612 -32.236 906 HD1 HIS 108 HD1 HIS 108 -9.369 1.612 -35.143 907 HD2 HIS 108 HD2 HIS 108 -5.501 2.257 -33.737 908 HE1 HIS 108 HE1 HIS 108 -8.523 3.649 -36.367 909 HE2 HIS 108 HE2 HIS 108 -6.130 3.925 -35.613 910 H HIS 109 H HIS 109 -8.009 -2.869 -34.543 911 HA HIS 109 HA HIS 109 -7.029 -2.561 -37.256 912 HB2 HIS 109 HB2 HIS 109 -7.247 -4.814 -36.297 913 HB3 HIS 109 HB3 HIS 109 -8.963 -4.549 -36.029 914 HD1 HIS 109 HD1 HIS 109 -6.971 -3.920 -39.219 915 HD2 HIS 109 HD2 HIS 109 -10.091 -6.269 -37.787 916 HE1 HIS 109 HE1 HIS 109 -7.819 -5.206 -41.204 917 HE2 HIS 109 HE2 HIS 109 -9.807 -6.494 -40.351 918 H HIS 110 H HIS 110 -9.898 -2.025 -35.361 919 HA HIS 110 HA HIS 110 -10.868 -0.192 -37.397 920 HB2 HIS 110 HB2 HIS 110 -12.259 -2.679 -36.621 921 HB3 HIS 110 HB3 HIS 110 -13.257 -1.229 -36.599 922 HD1 HIS 110 HD1 HIS 110 -13.809 -0.121 -38.848 923 HD2 HIS 110 HD2 HIS 110 -11.370 -3.479 -39.181 924 HE1 HIS 110 HE1 HIS 110 -13.781 -0.707 -41.297 925 HE2 HIS 110 HE2 HIS 110 -12.417 -2.822 -41.456 Start of MODEL 4 1 H1 MET 1 H1 MET 1 2.275 9.147 14.576 2 H2 MET 1 H2 MET 1 2.719 10.780 14.710 3 H3 MET 1 H3 MET 1 3.751 9.566 15.294 4 HA MET 1 HA MET 1 2.981 9.858 12.455 5 HB2 MET 1 HB2 MET 1 4.303 11.796 13.343 6 HB3 MET 1 HB3 MET 1 5.586 10.672 13.753 7 HG2 MET 1 HG2 MET 1 5.856 10.097 11.414 8 HG3 MET 1 HG3 MET 1 4.520 11.162 10.985 9 HE1 MET 1 HE1 MET 1 5.999 14.685 11.905 10 HE2 MET 1 HE2 MET 1 5.038 13.631 12.938 11 HE3 MET 1 HE3 MET 1 4.610 13.823 11.237 12 H ILE 2 H ILE 2 2.874 7.773 11.915 13 HA ILE 2 HA ILE 2 4.960 5.935 12.861 14 HB ILE 2 HB ILE 2 2.536 5.423 13.294 15 HG12 ILE 2 HG12 ILE 2 3.963 3.407 11.537 16 HG13 ILE 2 HG13 ILE 2 4.250 3.637 13.260 17 HG21 ILE 2 HG21 ILE 2 2.451 5.047 10.305 18 HG22 ILE 2 HG22 ILE 2 1.602 6.285 11.231 19 HG23 ILE 2 HG23 ILE 2 1.176 4.585 11.433 20 HD11 ILE 2 HD11 ILE 2 1.662 2.739 12.011 21 HD12 ILE 2 HD12 ILE 2 1.953 2.967 13.736 22 HD13 ILE 2 HD13 ILE 2 2.826 1.714 12.853 23 H THR 3 H THR 3 5.686 4.252 11.266 24 HA THR 3 HA THR 3 6.370 5.422 8.735 25 HB THR 3 HB THR 3 7.384 3.141 8.294 26 HG1 THR 3 HG1 THR 3 7.587 1.873 10.305 27 HG21 THR 3 HG21 THR 3 8.711 4.991 9.173 28 HG22 THR 3 HG22 THR 3 9.226 3.463 9.887 29 HG23 THR 3 HG23 THR 3 8.222 4.578 10.815 30 H PHE 4 H PHE 4 5.766 4.592 6.665 31 HA PHE 4 HA PHE 4 2.978 4.120 6.499 32 HB2 PHE 4 HB2 PHE 4 4.203 5.367 4.780 33 HB3 PHE 4 HB3 PHE 4 5.091 3.909 4.345 34 HD1 PHE 4 HD1 PHE 4 1.472 4.536 4.999 35 HD2 PHE 4 HD2 PHE 4 4.442 3.252 2.235 36 HE1 PHE 4 HE1 PHE 4 -0.289 3.941 3.389 37 HE2 PHE 4 HE2 PHE 4 2.684 2.658 0.618 38 HZ PHE 4 HZ PHE 4 0.316 3.000 1.196 39 H ALA 5 H ALA 5 5.785 2.019 6.148 40 HA ALA 5 HA ALA 5 4.461 -0.233 5.117 41 HB1 ALA 5 HB1 ALA 5 6.935 -0.148 6.841 42 HB2 ALA 5 HB2 ALA 5 6.897 0.013 5.084 43 HB3 ALA 5 HB3 ALA 5 6.411 -1.504 5.842 44 H ASP 6 H ASP 6 5.253 0.659 8.465 45 HA ASP 6 HA ASP 6 4.122 -1.684 9.605 46 HB2 ASP 6 HB2 ASP 6 5.860 -0.290 10.712 47 HB3 ASP 6 HB3 ASP 6 4.661 0.980 10.934 48 H TYR 7 H TYR 7 2.936 1.602 9.086 49 HA TYR 7 HA TYR 7 0.450 1.369 10.351 50 HB2 TYR 7 HB2 TYR 7 1.327 3.523 9.600 51 HB3 TYR 7 HB3 TYR 7 1.223 3.009 7.922 52 HD1 TYR 7 HD2 TYR 7 -0.735 4.044 10.878 53 HD2 TYR 7 HD1 TYR 7 -0.858 3.064 6.734 54 HE1 TYR 7 HE2 TYR 7 -3.010 4.960 10.731 55 HE2 TYR 7 HE1 TYR 7 -3.131 3.981 6.582 56 HH TYR 7 HH TYR 7 -4.999 4.518 7.941 57 H PHE 8 H PHE 8 1.412 0.676 7.007 58 HA PHE 8 HA PHE 8 -1.126 0.009 6.024 59 HB2 PHE 8 HB2 PHE 8 0.809 0.443 4.569 60 HB3 PHE 8 HB3 PHE 8 1.580 -1.032 5.144 61 HD1 PHE 8 HD1 PHE 8 -1.249 0.307 3.193 62 HD2 PHE 8 HD2 PHE 8 1.007 -3.149 4.244 63 HE1 PHE 8 HE1 PHE 8 -2.360 -0.961 1.400 64 HE2 PHE 8 HE2 PHE 8 -0.101 -4.420 2.452 65 HZ PHE 8 HZ PHE 8 -1.787 -3.324 1.028 66 H TYR 9 H TYR 9 1.394 -2.017 7.489 67 HA TYR 9 HA TYR 9 0.032 -4.458 7.088 68 HB2 TYR 9 HB2 TYR 9 2.443 -4.365 7.559 69 HB3 TYR 9 HB3 TYR 9 2.102 -3.793 9.190 70 HD1 TYR 9 HD1 TYR 9 1.538 -6.646 6.885 71 HD2 TYR 9 HD2 TYR 9 1.709 -5.322 10.924 72 HE1 TYR 9 HE1 TYR 9 1.335 -8.974 7.648 73 HE2 TYR 9 HE2 TYR 9 1.508 -7.643 11.703 74 HH TYR 9 HH TYR 9 0.724 -9.754 10.963 75 H GLN 10 H GLN 10 0.198 -2.270 9.884 76 HA GLN 10 HA GLN 10 -1.410 -3.741 11.636 77 HB2 GLN 10 HB2 GLN 10 -0.119 -1.759 12.313 78 HB3 GLN 10 HB3 GLN 10 -1.181 -0.735 11.357 79 HG2 GLN 10 HG2 GLN 10 -3.069 -1.428 12.799 80 HG3 GLN 10 HG3 GLN 10 -1.928 -2.332 13.794 81 HE21 GLN 10 HE21 GLN 10 -0.458 -1.216 15.085 82 HE22 GLN 10 HE22 GLN 10 -0.652 0.469 15.454 83 H TRP 11 H TRP 11 -2.256 -1.291 9.250 84 HA TRP 11 HA TRP 11 -5.000 -1.137 9.620 85 HB2 TRP 11 HB2 TRP 11 -3.691 0.374 8.197 86 HB3 TRP 11 HB3 TRP 11 -3.390 -0.934 7.064 87 HD1 TRP 11 HD1 TRP 11 -6.300 1.242 8.358 88 HE1 TRP 11 HE1 TRP 11 -8.078 1.397 6.499 89 HE3 TRP 11 HE3 TRP 11 -4.213 -1.996 5.002 90 HZ2 TRP 11 HZ2 TRP 11 -8.523 0.275 3.945 91 HZ3 TRP 11 HZ3 TRP 11 -5.375 -2.396 2.871 92 HH2 TRP 11 HH2 TRP 11 -7.485 -1.284 2.355 93 H TYR 12 H TYR 12 -3.152 -3.295 7.502 94 HA TYR 12 HA TYR 12 -5.364 -4.686 6.443 95 HB2 TYR 12 HB2 TYR 12 -3.448 -4.903 5.172 96 HB3 TYR 12 HB3 TYR 12 -2.415 -5.144 6.572 97 HD1 TYR 12 HD1 TYR 12 -5.351 -6.944 5.043 98 HD2 TYR 12 HD2 TYR 12 -1.415 -7.185 6.649 99 HE1 TYR 12 HE1 TYR 12 -5.325 -9.370 4.601 100 HE2 TYR 12 HE2 TYR 12 -1.383 -9.601 6.219 101 HH TYR 12 HH TYR 12 -2.806 -11.423 5.817 102 H GLU 13 H GLU 13 -3.185 -5.481 9.137 103 HA GLU 13 HA GLU 13 -4.170 -8.093 9.509 104 HB2 GLU 13 HB2 GLU 13 -1.955 -7.286 10.253 105 HB3 GLU 13 HB3 GLU 13 -2.745 -6.327 11.495 106 HG2 GLU 13 HG2 GLU 13 -3.579 -8.333 12.561 107 HG3 GLU 13 HG3 GLU 13 -2.880 -9.323 11.280 108 H VAL 14 H VAL 14 -5.350 -5.030 10.637 109 HA VAL 14 HA VAL 14 -6.986 -6.310 12.690 110 HB VAL 14 HB VAL 14 -6.737 -3.378 11.989 111 HG11 VAL 14 HG11 VAL 14 -7.800 -2.981 14.170 112 HG12 VAL 14 HG12 VAL 14 -8.015 -4.720 14.373 113 HG13 VAL 14 HG13 VAL 14 -8.862 -3.873 13.079 114 HG21 VAL 14 HG21 VAL 14 -4.644 -4.342 12.813 115 HG22 VAL 14 HG22 VAL 14 -5.488 -4.951 14.238 116 HG23 VAL 14 HG23 VAL 14 -5.340 -3.213 13.976 117 H ASN 15 H ASN 15 -7.291 -5.256 9.426 118 HA ASN 15 HA ASN 15 -10.195 -4.913 9.797 119 HB2 ASN 15 HB2 ASN 15 -8.319 -3.586 7.861 120 HB3 ASN 15 HB3 ASN 15 -10.064 -3.568 7.636 121 HD21 ASN 15 HD21 ASN 15 -7.401 -2.375 9.484 122 HD22 ASN 15 HD22 ASN 15 -8.285 -1.186 10.392 123 H LYS 16 H LYS 16 -7.784 -6.578 7.852 124 HA LYS 16 HA LYS 16 -9.999 -7.689 6.245 125 HB2 LYS 16 HB2 LYS 16 -7.152 -7.086 5.544 126 HB3 LYS 16 HB3 LYS 16 -8.028 -8.325 4.661 127 HG2 LYS 16 HG2 LYS 16 -8.192 -6.334 3.413 128 HG3 LYS 16 HG3 LYS 16 -9.770 -6.600 4.152 129 HD2 LYS 16 HD2 LYS 16 -9.246 -4.968 5.886 130 HD3 LYS 16 HD3 LYS 16 -7.644 -4.722 5.188 131 HE2 LYS 16 HE2 LYS 16 -9.103 -2.931 4.494 132 HE3 LYS 16 HE3 LYS 16 -8.713 -3.940 3.101 133 HZ1 LYS 16 HZ1 LYS 16 -11.231 -4.086 4.679 134 HZ2 LYS 16 HZ2 LYS 16 -10.864 -5.010 3.301 135 HZ3 LYS 16 HZ3 LYS 16 -11.056 -3.330 3.170 136 H LEU 17 H LEU 17 -7.678 -8.477 8.565 137 HA LEU 17 HA LEU 17 -6.620 -10.881 7.766 138 HB2 LEU 17 HB2 LEU 17 -5.991 -9.557 9.782 139 HB3 LEU 17 HB3 LEU 17 -7.401 -10.212 10.592 140 HG LEU 17 HG LEU 17 -6.452 -12.502 10.242 141 HD11 LEU 17 HD11 LEU 17 -4.998 -12.029 8.365 142 HD12 LEU 17 HD12 LEU 17 -4.057 -12.662 9.716 143 HD13 LEU 17 HD13 LEU 17 -4.034 -10.935 9.356 144 HD21 LEU 17 HD21 LEU 17 -4.782 -12.294 12.024 145 HD22 LEU 17 HD22 LEU 17 -6.237 -11.358 12.372 146 HD23 LEU 17 HD23 LEU 17 -4.777 -10.543 11.807 147 HA PRO 18 HA PRO 18 -10.048 -13.501 9.654 148 HB2 PRO 18 HB2 PRO 18 -12.100 -12.487 11.030 149 HB3 PRO 18 HB3 PRO 18 -10.489 -12.618 11.747 150 HG2 PRO 18 HG2 PRO 18 -11.896 -10.230 10.653 151 HG3 PRO 18 HG3 PRO 18 -10.815 -10.353 12.051 152 HD2 PRO 18 HD2 PRO 18 -10.104 -9.453 9.503 153 HD3 PRO 18 HD3 PRO 18 -8.979 -9.963 10.775 154 H HIS 19 H HIS 19 -10.492 -11.445 7.284 155 HA HIS 19 HA HIS 19 -13.264 -12.284 6.735 156 HB2 HIS 19 HB2 HIS 19 -11.994 -9.652 5.961 157 HB3 HIS 19 HB3 HIS 19 -13.624 -10.164 5.547 158 HD2 HIS 19 HD2 HIS 19 -11.760 -8.328 8.275 159 HE1 HIS 19 HE1 HIS 19 -15.579 -9.272 9.815 160 HE2 HIS 19 HE2 HIS 19 -13.573 -7.737 10.037 161 H VAL 20 H VAL 20 -10.227 -11.217 5.198 162 HA VAL 20 HA VAL 20 -11.175 -12.035 2.606 163 HB VAL 20 HB VAL 20 -9.034 -11.290 1.741 164 HG11 VAL 20 HG11 VAL 20 -9.142 -8.944 2.414 165 HG12 VAL 20 HG12 VAL 20 -10.148 -9.385 3.793 166 HG13 VAL 20 HG13 VAL 20 -10.750 -9.617 2.152 167 HG21 VAL 20 HG21 VAL 20 -7.590 -12.104 3.540 168 HG22 VAL 20 HG22 VAL 20 -8.229 -10.862 4.618 169 HG23 VAL 20 HG23 VAL 20 -7.288 -10.400 3.199 170 H SER 21 H SER 21 -10.240 -13.608 1.264 171 HA SER 21 HA SER 21 -9.564 -16.043 2.585 172 HB2 SER 21 HB2 SER 21 -9.503 -15.355 -0.365 173 HB3 SER 21 HB3 SER 21 -9.477 -16.980 0.320 174 HG SER 21 HG SER 21 -11.550 -16.815 0.880 175 H GLU 22 H GLU 22 -7.642 -17.370 1.677 176 HA GLU 22 HA GLU 22 -5.275 -16.050 2.467 177 HB2 GLU 22 HB2 GLU 22 -5.878 -18.735 1.308 178 HB3 GLU 22 HB3 GLU 22 -4.207 -18.195 1.403 179 HG2 GLU 22 HG2 GLU 22 -4.839 -19.556 3.325 180 HG3 GLU 22 HG3 GLU 22 -4.397 -17.916 3.797 181 H SER 23 H SER 23 -6.761 -16.509 -0.634 182 HA SER 23 HA SER 23 -4.584 -15.844 -2.279 183 HB2 SER 23 HB2 SER 23 -6.450 -15.012 -3.838 184 HB3 SER 23 HB3 SER 23 -6.531 -16.704 -3.337 185 HG SER 23 HG SER 23 -8.457 -15.076 -3.142 186 H THR 24 H THR 24 -6.987 -13.862 -0.603 187 HA THR 24 HA THR 24 -5.979 -11.380 -1.575 188 HB THR 24 HB THR 24 -7.632 -11.742 0.920 189 HG1 THR 24 HG1 THR 24 -8.758 -11.402 -1.652 190 HG21 THR 24 HG21 THR 24 -7.448 -9.546 -1.149 191 HG22 THR 24 HG22 THR 24 -6.828 -9.483 0.502 192 HG23 THR 24 HG23 THR 24 -8.567 -9.566 0.215 193 H LYS 25 H LYS 25 -5.378 -13.382 1.263 194 HA LYS 25 HA LYS 25 -3.850 -11.623 2.805 195 HB2 LYS 25 HB2 LYS 25 -3.237 -14.556 2.376 196 HB3 LYS 25 HB3 LYS 25 -2.770 -13.578 3.754 197 HG2 LYS 25 HG2 LYS 25 -5.615 -14.233 3.044 198 HG3 LYS 25 HG3 LYS 25 -4.638 -15.164 4.176 199 HD2 LYS 25 HD2 LYS 25 -4.326 -12.752 5.257 200 HD3 LYS 25 HD3 LYS 25 -5.879 -12.487 4.464 201 HE2 LYS 25 HE2 LYS 25 -5.194 -14.579 6.523 202 HE3 LYS 25 HE3 LYS 25 -6.313 -13.229 6.692 203 HZ1 LYS 25 HZ1 LYS 25 -7.675 -14.289 4.912 204 HZ2 LYS 25 HZ2 LYS 25 -7.580 -15.187 6.342 205 HZ3 LYS 25 HZ3 LYS 25 -6.660 -15.649 4.996 206 H ARG 26 H ARG 26 -2.933 -13.743 0.132 207 HA ARG 26 HA ARG 26 -0.202 -13.226 0.012 208 HB2 ARG 26 HB2 ARG 26 -1.306 -15.005 -1.278 209 HB3 ARG 26 HB3 ARG 26 -2.107 -13.797 -2.272 210 HG2 ARG 26 HG2 ARG 26 -0.302 -14.577 -3.549 211 HG3 ARG 26 HG3 ARG 26 0.199 -13.000 -2.937 212 HD2 ARG 26 HD2 ARG 26 2.064 -14.389 -2.630 213 HD3 ARG 26 HD3 ARG 26 1.316 -14.276 -1.037 214 HE ARG 26 HE ARG 26 0.558 -16.553 -2.693 215 HH11 ARG 26 HH11 ARG 26 2.503 -15.345 -0.034 216 HH12 ARG 26 HH12 ARG 26 2.833 -16.930 0.596 217 HH21 ARG 26 HH21 ARG 26 1.025 -18.613 -1.887 218 HH22 ARG 26 HH22 ARG 26 2.010 -18.785 -0.462 219 H HIS 27 H HIS 27 -2.902 -11.508 -1.527 220 HA HIS 27 HA HIS 27 -1.433 -9.679 -3.045 221 HB2 HIS 27 HB2 HIS 27 -4.180 -9.596 -1.834 222 HB3 HIS 27 HB3 HIS 27 -3.526 -8.170 -2.629 223 HD2 HIS 27 HD2 HIS 27 -4.596 -11.830 -3.544 224 HE1 HIS 27 HE1 HIS 27 -4.435 -9.448 -7.038 225 HE2 HIS 27 HE2 HIS 27 -5.204 -11.660 -6.065 226 H TYR 28 H TYR 28 -2.761 -9.290 0.238 227 HA TYR 28 HA TYR 28 -1.734 -6.689 0.603 228 HB2 TYR 28 HB2 TYR 28 -2.802 -8.771 2.471 229 HB3 TYR 28 HB3 TYR 28 -2.072 -7.299 3.106 230 HD1 TYR 28 HD2 TYR 28 -3.084 -5.101 2.593 231 HD2 TYR 28 HD1 TYR 28 -4.981 -8.741 1.480 232 HE1 TYR 28 HE2 TYR 28 -5.202 -3.894 2.287 233 HE2 TYR 28 HE1 TYR 28 -7.107 -7.544 1.173 234 HH TYR 28 HH TYR 28 -7.323 -4.180 1.024 235 H GLU 29 H GLU 29 -0.433 -9.872 1.519 236 HA GLU 29 HA GLU 29 1.840 -8.900 2.854 237 HB2 GLU 29 HB2 GLU 29 1.276 -11.467 1.405 238 HB3 GLU 29 HB3 GLU 29 2.869 -11.138 2.074 239 HG2 GLU 29 HG2 GLU 29 1.687 -10.724 4.282 240 HG3 GLU 29 HG3 GLU 29 0.265 -11.447 3.530 241 H SER 30 H SER 30 1.296 -9.629 -0.575 242 HA SER 30 HA SER 30 3.928 -9.100 -1.438 243 HB2 SER 30 HB2 SER 30 1.328 -8.826 -2.971 244 HB3 SER 30 HB3 SER 30 2.938 -8.883 -3.687 245 HG SER 30 HG SER 30 1.525 -10.924 -2.333 246 H ALA 31 H ALA 31 1.073 -7.027 -1.130 247 HA ALA 31 HA ALA 31 2.212 -4.666 -2.128 248 HB1 ALA 31 HB1 ALA 31 0.432 -3.517 -0.931 249 HB2 ALA 31 HB2 ALA 31 0.110 -4.968 0.017 250 HB3 ALA 31 HB3 ALA 31 -0.190 -4.966 -1.721 251 H TYR 32 H TYR 32 1.938 -5.859 1.198 252 HA TYR 32 HA TYR 32 3.209 -3.757 2.498 253 HB2 TYR 32 HB2 TYR 32 1.940 -5.343 3.750 254 HB3 TYR 32 HB3 TYR 32 2.941 -6.679 3.200 255 HD1 TYR 32 HD1 TYR 32 3.555 -3.384 4.888 256 HD2 TYR 32 HD2 TYR 32 4.249 -7.579 4.841 257 HE1 TYR 32 HE1 TYR 32 4.942 -3.169 6.906 258 HE2 TYR 32 HE2 TYR 32 5.643 -7.378 6.853 259 HH TYR 32 HH TYR 32 5.712 -4.589 8.781 260 H LYS 33 H LYS 33 4.633 -6.707 1.092 261 HA LYS 33 HA LYS 33 7.205 -6.174 2.194 262 HB2 LYS 33 HB2 LYS 33 8.024 -8.007 0.835 263 HB3 LYS 33 HB3 LYS 33 6.525 -8.447 1.635 264 HG2 LYS 33 HG2 LYS 33 5.324 -7.990 -0.487 265 HG3 LYS 33 HG3 LYS 33 6.887 -7.727 -1.264 266 HD2 LYS 33 HD2 LYS 33 6.114 -10.003 -1.658 267 HD3 LYS 33 HD3 LYS 33 7.560 -10.014 -0.646 268 HE2 LYS 33 HE2 LYS 33 6.129 -10.244 1.349 269 HE3 LYS 33 HE3 LYS 33 4.708 -10.295 0.308 270 HZ1 LYS 33 HZ1 LYS 33 6.936 -12.264 0.329 271 HZ2 LYS 33 HZ2 LYS 33 5.608 -12.302 -0.730 272 HZ3 LYS 33 HZ3 LYS 33 5.369 -12.511 0.937 273 H HIS 34 H HIS 34 5.677 -5.340 -0.874 274 HA HIS 34 HA HIS 34 8.107 -4.338 -2.024 275 HB2 HIS 34 HB2 HIS 34 5.208 -4.091 -2.762 276 HB3 HIS 34 HB3 HIS 34 6.418 -3.095 -3.564 277 HD1 HIS 34 HD1 HIS 34 8.422 -4.577 -4.778 278 HD2 HIS 34 HD2 HIS 34 4.860 -6.515 -3.849 279 HE1 HIS 34 HE1 HIS 34 8.360 -6.675 -6.190 280 H ILE 35 H ILE 35 5.441 -2.945 -0.184 281 HA ILE 35 HA ILE 35 6.235 -0.250 -0.340 282 HB ILE 35 HB ILE 35 4.759 -1.725 1.843 283 HG12 ILE 35 HG12 ILE 35 3.793 0.183 -0.303 284 HG13 ILE 35 HG13 ILE 35 3.631 -1.569 -0.356 285 HG21 ILE 35 HG21 ILE 35 5.861 0.227 2.797 286 HG22 ILE 35 HG22 ILE 35 4.116 0.474 2.715 287 HG23 ILE 35 HG23 ILE 35 5.174 1.250 1.534 288 HD11 ILE 35 HD11 ILE 35 2.379 0.250 1.686 289 HD12 ILE 35 HD12 ILE 35 2.197 -1.504 1.606 290 HD13 ILE 35 HD13 ILE 35 1.560 -0.490 0.311 291 H LYS 36 H LYS 36 6.953 -2.728 2.109 292 HA LYS 36 HA LYS 36 8.726 -1.154 3.630 293 HB2 LYS 36 HB2 LYS 36 7.712 -3.160 4.533 294 HB3 LYS 36 HB3 LYS 36 8.497 -4.150 3.313 295 HG2 LYS 36 HG2 LYS 36 10.607 -3.893 4.304 296 HG3 LYS 36 HG3 LYS 36 10.065 -2.544 5.302 297 HD2 LYS 36 HD2 LYS 36 10.311 -4.605 6.605 298 HD3 LYS 36 HD3 LYS 36 8.644 -4.036 6.590 299 HE2 LYS 36 HE2 LYS 36 8.660 -6.422 6.306 300 HE3 LYS 36 HE3 LYS 36 8.151 -5.672 4.795 301 HZ1 LYS 36 HZ1 LYS 36 10.256 -6.084 3.830 302 HZ2 LYS 36 HZ2 LYS 36 9.788 -7.532 4.581 303 HZ3 LYS 36 HZ3 LYS 36 10.944 -6.530 5.316 304 H ASP 37 H ASP 37 9.113 -2.958 0.704 305 HA ASP 37 HA ASP 37 11.940 -3.181 0.703 306 HB2 ASP 37 HB2 ASP 37 10.445 -4.559 -0.706 307 HB3 ASP 37 HB3 ASP 37 10.018 -3.130 -1.636 308 H HIS 38 H HIS 38 9.705 -0.805 -0.691 309 HA HIS 38 HA HIS 38 11.905 0.803 -1.706 310 HB2 HIS 38 HB2 HIS 38 8.920 0.964 -1.890 311 HB3 HIS 38 HB3 HIS 38 9.886 2.393 -2.228 312 HD1 HIS 38 HD1 HIS 38 9.951 2.655 -4.678 313 HD2 HIS 38 HD2 HIS 38 10.391 -1.325 -3.525 314 HE1 HIS 38 HE1 HIS 38 10.311 1.358 -6.806 315 HE2 HIS 38 HE2 HIS 38 10.616 -1.039 -6.090 316 H PHE 39 H PHE 39 9.259 1.213 0.641 317 HA PHE 39 HA PHE 39 10.341 3.802 1.406 318 HB2 PHE 39 HB2 PHE 39 7.805 2.392 2.270 319 HB3 PHE 39 HB3 PHE 39 8.250 4.047 2.684 320 HD1 PHE 39 HD1 PHE 39 9.022 5.413 0.435 321 HD2 PHE 39 HD2 PHE 39 6.217 2.218 0.636 322 HE1 PHE 39 HE1 PHE 39 7.952 6.226 -1.624 323 HE2 PHE 39 HE2 PHE 39 5.143 3.027 -1.425 324 HZ PHE 39 HZ PHE 39 6.013 5.036 -2.557 325 H ARG 40 H ARG 40 12.217 2.434 2.186 326 HA ARG 40 HA ARG 40 12.016 0.993 4.621 327 HB2 ARG 40 HB2 ARG 40 14.478 2.373 3.546 328 HB3 ARG 40 HB3 ARG 40 14.403 0.942 4.568 329 HG2 ARG 40 HG2 ARG 40 13.604 -0.401 2.807 330 HG3 ARG 40 HG3 ARG 40 13.258 1.001 1.795 331 HD2 ARG 40 HD2 ARG 40 15.788 1.457 1.953 332 HD3 ARG 40 HD3 ARG 40 15.902 -0.220 2.492 333 HE ARG 40 HE ARG 40 14.596 -0.675 0.317 334 HH11 ARG 40 HH11 ARG 40 17.045 1.787 0.750 335 HH12 ARG 40 HH12 ARG 40 17.454 1.863 -0.935 336 HH21 ARG 40 HH21 ARG 40 15.137 -0.586 -1.913 337 HH22 ARG 40 HH22 ARG 40 16.364 0.527 -2.442 338 H HIS 41 H HIS 41 11.399 1.890 6.462 339 HA HIS 41 HA HIS 41 11.276 3.254 8.279 340 HB2 HIS 41 HB2 HIS 41 13.803 4.485 7.154 341 HB3 HIS 41 HB3 HIS 41 13.152 4.806 8.756 342 HD1 HIS 41 HD1 HIS 41 15.964 3.698 8.490 343 HD2 HIS 41 HD2 HIS 41 12.586 1.313 8.924 344 HE1 HIS 41 HE1 HIS 41 16.795 1.504 9.408 345 HE2 HIS 41 HE2 HIS 41 14.746 0.033 9.537 346 H LYS 42 H LYS 42 10.065 3.981 5.656 347 HA LYS 42 HA LYS 42 10.112 6.894 5.716 348 HB2 LYS 42 HB2 LYS 42 9.803 5.047 3.675 349 HB3 LYS 42 HB3 LYS 42 8.175 5.657 3.924 350 HG2 LYS 42 HG2 LYS 42 8.982 7.098 2.333 351 HG3 LYS 42 HG3 LYS 42 9.311 7.989 3.822 352 HD2 LYS 42 HD2 LYS 42 11.616 7.191 3.799 353 HD3 LYS 42 HD3 LYS 42 11.291 6.265 2.331 354 HE2 LYS 42 HE2 LYS 42 12.169 8.132 1.369 355 HE3 LYS 42 HE3 LYS 42 10.485 8.645 1.478 356 HZ1 LYS 42 HZ1 LYS 42 12.670 9.338 3.364 357 HZ2 LYS 42 HZ2 LYS 42 11.040 9.743 3.596 358 HZ3 LYS 42 HZ3 LYS 42 11.897 10.384 2.275 359 H LEU 43 H LEU 43 8.587 8.114 6.606 360 HA LEU 43 HA LEU 43 6.430 6.954 8.100 361 HB2 LEU 43 HB2 LEU 43 6.901 9.852 7.378 362 HB3 LEU 43 HB3 LEU 43 5.873 9.249 8.664 363 HG LEU 43 HG LEU 43 8.826 8.700 8.659 364 HD11 LEU 43 HD11 LEU 43 8.561 11.115 8.469 365 HD12 LEU 43 HD12 LEU 43 9.118 10.666 10.080 366 HD13 LEU 43 HD13 LEU 43 7.430 11.109 9.823 367 HD21 LEU 43 HD21 LEU 43 8.465 8.479 11.061 368 HD22 LEU 43 HD22 LEU 43 7.408 7.391 10.161 369 HD23 LEU 43 HD23 LEU 43 6.758 8.881 10.850 370 H LEU 44 H LEU 44 4.127 7.476 7.717 371 HA LEU 44 HA LEU 44 3.439 6.865 5.050 372 HB2 LEU 44 HB2 LEU 44 1.176 6.876 5.712 373 HB3 LEU 44 HB3 LEU 44 2.096 6.242 7.059 374 HG LEU 44 HG LEU 44 1.130 9.098 6.922 375 HD11 LEU 44 HD11 LEU 44 -0.684 8.416 8.386 376 HD12 LEU 44 HD12 LEU 44 -0.146 6.738 8.296 377 HD13 LEU 44 HD13 LEU 44 -0.763 7.545 6.853 378 HD21 LEU 44 HD21 LEU 44 3.007 8.690 8.442 379 HD22 LEU 44 HD22 LEU 44 2.092 7.399 9.222 380 HD23 LEU 44 HD23 LEU 44 1.526 9.066 9.326 381 H LYS 45 H LYS 45 3.554 9.930 6.777 382 HA LYS 45 HA LYS 45 2.488 11.316 4.441 383 HB2 LYS 45 HB2 LYS 45 2.798 13.378 5.860 384 HB3 LYS 45 HB3 LYS 45 1.647 12.202 6.475 385 HG2 LYS 45 HG2 LYS 45 3.064 11.529 8.189 386 HG3 LYS 45 HG3 LYS 45 4.489 12.228 7.418 387 HD2 LYS 45 HD2 LYS 45 2.162 13.811 8.515 388 HD3 LYS 45 HD3 LYS 45 3.691 13.548 9.359 389 HE2 LYS 45 HE2 LYS 45 4.894 14.690 7.586 390 HE3 LYS 45 HE3 LYS 45 3.399 14.894 6.674 391 HZ1 LYS 45 HZ1 LYS 45 2.546 16.258 8.514 392 HZ2 LYS 45 HZ2 LYS 45 3.943 16.916 7.812 393 HZ3 LYS 45 HZ3 LYS 45 4.043 16.118 9.301 394 H ASP 46 H ASP 46 5.370 10.093 5.338 395 HA ASP 46 HA ASP 46 7.021 12.273 4.304 396 HB2 ASP 46 HB2 ASP 46 7.745 10.968 6.316 397 HB3 ASP 46 HB3 ASP 46 7.838 9.532 5.303 398 H ILE 47 H ILE 47 5.258 9.711 3.191 399 HA ILE 47 HA ILE 47 6.857 8.728 1.071 400 HB ILE 47 HB ILE 47 3.835 8.883 1.152 401 HG12 ILE 47 HG12 ILE 47 4.637 7.776 3.171 402 HG13 ILE 47 HG13 ILE 47 3.895 6.603 2.088 403 HG21 ILE 47 HG21 ILE 47 3.942 6.932 -0.336 404 HG22 ILE 47 HG22 ILE 47 5.701 7.062 -0.362 405 HG23 ILE 47 HG23 ILE 47 4.711 8.354 -1.042 406 HD11 ILE 47 HD11 ILE 47 5.891 5.700 3.086 407 HD12 ILE 47 HD12 ILE 47 6.841 7.058 2.481 408 HD13 ILE 47 HD13 ILE 47 6.124 5.909 1.350 409 H LYS 48 H LYS 48 7.759 10.296 -0.168 410 HA LYS 48 HA LYS 48 6.554 12.684 -0.989 411 HB2 LYS 48 HB2 LYS 48 9.017 12.042 -1.070 412 HB3 LYS 48 HB3 LYS 48 8.647 11.154 -2.540 413 HG2 LYS 48 HG2 LYS 48 7.913 13.220 -3.609 414 HG3 LYS 48 HG3 LYS 48 8.266 14.112 -2.126 415 HD2 LYS 48 HD2 LYS 48 10.634 13.300 -2.318 416 HD3 LYS 48 HD3 LYS 48 10.219 12.670 -3.914 417 HE2 LYS 48 HE2 LYS 48 11.254 14.832 -4.157 418 HE3 LYS 48 HE3 LYS 48 9.549 14.954 -4.593 419 HZ1 LYS 48 HZ1 LYS 48 9.084 15.897 -2.423 420 HZ2 LYS 48 HZ2 LYS 48 10.277 16.811 -3.210 421 HZ3 LYS 48 HZ3 LYS 48 10.711 15.738 -1.972 422 H ARG 49 H ARG 49 5.342 13.230 -2.795 423 HA ARG 49 HA ARG 49 3.609 11.229 -3.751 424 HB2 ARG 49 HB2 ARG 49 4.122 14.066 -4.579 425 HB3 ARG 49 HB3 ARG 49 3.053 13.047 -5.530 426 HG2 ARG 49 HG2 ARG 49 1.559 14.088 -4.152 427 HG3 ARG 49 HG3 ARG 49 1.885 12.617 -3.240 428 HD2 ARG 49 HD2 ARG 49 3.502 15.076 -2.735 429 HD3 ARG 49 HD3 ARG 49 1.883 14.942 -2.056 430 HE ARG 49 HE ARG 49 3.592 12.680 -1.507 431 HH11 ARG 49 HH11 ARG 49 2.570 15.848 -0.454 432 HH12 ARG 49 HH12 ARG 49 3.015 15.597 1.206 433 HH21 ARG 49 HH21 ARG 49 4.190 12.333 0.690 434 HH22 ARG 49 HH22 ARG 49 3.935 13.600 1.852 435 H THR 50 H THR 50 6.400 12.803 -5.235 436 HA THR 50 HA THR 50 6.212 11.413 -7.700 437 HB THR 50 HB THR 50 8.827 12.448 -6.673 438 HG1 THR 50 HG1 THR 50 6.831 14.193 -7.717 439 HG21 THR 50 HG21 THR 50 8.994 13.262 -8.994 440 HG22 THR 50 HG22 THR 50 7.381 12.624 -9.323 441 HG23 THR 50 HG23 THR 50 8.703 11.523 -8.931 442 H GLU 51 H GLU 51 7.657 10.683 -4.607 443 HA GLU 51 HA GLU 51 9.271 8.489 -5.454 444 HB2 GLU 51 HB2 GLU 51 9.594 9.672 -3.296 445 HB3 GLU 51 HB3 GLU 51 8.049 9.046 -2.741 446 HG2 GLU 51 HG2 GLU 51 9.726 7.709 -1.766 447 HG3 GLU 51 HG3 GLU 51 8.983 6.743 -3.040 448 H TYR 52 H TYR 52 5.980 8.865 -4.276 449 HA TYR 52 HA TYR 52 5.295 6.131 -4.204 450 HB2 TYR 52 HB2 TYR 52 3.959 7.890 -3.102 451 HB3 TYR 52 HB3 TYR 52 3.505 8.526 -4.681 452 HD1 TYR 52 HD1 TYR 52 3.483 5.247 -2.886 453 HD2 TYR 52 HD2 TYR 52 1.419 7.932 -5.460 454 HE1 TYR 52 HE1 TYR 52 1.569 3.709 -2.944 455 HE2 TYR 52 HE2 TYR 52 -0.503 6.398 -5.523 456 HH TYR 52 HH TYR 52 -0.791 3.728 -3.393 457 H GLN 53 H GLN 53 5.131 8.587 -6.726 458 HA GLN 53 HA GLN 53 4.024 7.127 -8.809 459 HB2 GLN 53 HB2 GLN 53 4.470 9.426 -9.162 460 HB3 GLN 53 HB3 GLN 53 6.162 9.247 -8.728 461 HG2 GLN 53 HG2 GLN 53 5.844 9.617 -11.121 462 HG3 GLN 53 HG3 GLN 53 6.603 8.062 -10.787 463 HE21 GLN 53 HE21 GLN 53 3.644 9.642 -11.677 464 HE22 GLN 53 HE22 GLN 53 2.908 8.283 -12.440 465 H LYS 54 H LYS 54 7.475 7.493 -8.082 466 HA LYS 54 HA LYS 54 8.547 5.615 -9.784 467 HB2 LYS 54 HB2 LYS 54 9.428 6.255 -6.963 468 HB3 LYS 54 HB3 LYS 54 10.401 5.390 -8.144 469 HG2 LYS 54 HG2 LYS 54 10.486 7.338 -9.561 470 HG3 LYS 54 HG3 LYS 54 9.409 8.215 -8.470 471 HD2 LYS 54 HD2 LYS 54 11.068 8.071 -6.693 472 HD3 LYS 54 HD3 LYS 54 12.136 7.141 -7.744 473 HE2 LYS 54 HE2 LYS 54 11.216 9.971 -8.233 474 HE3 LYS 54 HE3 LYS 54 12.795 9.503 -7.605 475 HZ1 LYS 54 HZ1 LYS 54 13.042 9.893 -9.908 476 HZ2 LYS 54 HZ2 LYS 54 11.684 8.962 -10.300 477 HZ3 LYS 54 HZ3 LYS 54 13.087 8.207 -9.709 478 H PHE 55 H PHE 55 7.124 5.061 -6.586 479 HA PHE 55 HA PHE 55 7.781 2.345 -6.330 480 HB2 PHE 55 HB2 PHE 55 6.962 3.603 -4.429 481 HB3 PHE 55 HB3 PHE 55 5.426 3.899 -5.238 482 HD1 PHE 55 HD1 PHE 55 7.576 1.037 -4.193 483 HD2 PHE 55 HD2 PHE 55 3.638 2.584 -4.651 484 HE1 PHE 55 HE1 PHE 55 6.656 -1.005 -3.176 485 HE2 PHE 55 HE2 PHE 55 2.712 0.545 -3.631 486 HZ PHE 55 HZ PHE 55 4.225 -1.254 -2.893 487 H LEU 56 H LEU 56 4.805 3.866 -7.559 488 HA LEU 56 HA LEU 56 3.579 1.443 -8.367 489 HB2 LEU 56 HB2 LEU 56 3.150 4.265 -9.360 490 HB3 LEU 56 HB3 LEU 56 2.111 2.906 -9.739 491 HG LEU 56 HG LEU 56 2.554 4.071 -6.989 492 HD11 LEU 56 HD11 LEU 56 1.241 5.525 -8.422 493 HD12 LEU 56 HD12 LEU 56 0.219 4.783 -7.190 494 HD13 LEU 56 HD13 LEU 56 0.183 4.178 -8.848 495 HD21 LEU 56 HD21 LEU 56 2.153 1.665 -6.902 496 HD22 LEU 56 HD22 LEU 56 0.718 1.860 -7.910 497 HD23 LEU 56 HD23 LEU 56 0.763 2.561 -6.291 498 H ASN 57 H ASN 57 5.668 3.752 -9.968 499 HA ASN 57 HA ASN 57 5.494 2.935 -12.603 500 HB2 ASN 57 HB2 ASN 57 6.828 4.867 -11.480 501 HB3 ASN 57 HB3 ASN 57 8.129 3.687 -11.367 502 HD21 ASN 57 HD21 ASN 57 6.235 5.678 -13.440 503 HD22 ASN 57 HD22 ASN 57 7.182 5.455 -14.874 504 H GLU 58 H GLU 58 7.811 1.797 -10.142 505 HA GLU 58 HA GLU 58 8.966 -0.208 -11.766 506 HB2 GLU 58 HB2 GLU 58 10.102 0.679 -9.794 507 HB3 GLU 58 HB3 GLU 58 8.844 0.030 -8.753 508 HG2 GLU 58 HG2 GLU 58 9.473 -2.245 -9.451 509 HG3 GLU 58 HG3 GLU 58 10.774 -1.565 -10.427 510 H TYR 59 H TYR 59 6.292 -0.228 -9.470 511 HA TYR 59 HA TYR 59 6.001 -3.039 -9.347 512 HB2 TYR 59 HB2 TYR 59 5.078 -1.316 -7.714 513 HB3 TYR 59 HB3 TYR 59 3.799 -1.022 -8.887 514 HD1 TYR 59 HD1 TYR 59 2.098 -2.729 -9.329 515 HD2 TYR 59 HD2 TYR 59 5.137 -3.348 -6.412 516 HE1 TYR 59 HE1 TYR 59 0.815 -4.605 -8.393 517 HE2 TYR 59 HE2 TYR 59 3.860 -5.225 -5.475 518 HH TYR 59 HH TYR 59 1.496 -5.988 -5.400 519 H GLY 60 H GLY 60 4.569 -0.544 -11.393 520 HA2 GLY 60 HA2 GLY 60 2.754 -2.331 -12.718 521 HA3 GLY 60 HA3 GLY 60 3.137 -0.685 -13.195 522 H LEU 61 H LEU 61 6.087 -1.644 -13.083 523 HA LEU 61 HA LEU 61 6.192 -2.483 -15.853 524 HB2 LEU 61 HB2 LEU 61 8.344 -1.893 -13.823 525 HB3 LEU 61 HB3 LEU 61 8.683 -2.427 -15.457 526 HG LEU 61 HG LEU 61 7.272 0.131 -14.703 527 HD11 LEU 61 HD11 LEU 61 9.297 1.218 -15.546 528 HD12 LEU 61 HD12 LEU 61 10.038 -0.363 -15.798 529 HD13 LEU 61 HD13 LEU 61 9.649 0.178 -14.166 530 HD21 LEU 61 HD21 LEU 61 6.458 -0.761 -16.817 531 HD22 LEU 61 HD22 LEU 61 8.114 -0.936 -17.395 532 HD23 LEU 61 HD23 LEU 61 7.454 0.670 -17.086 533 H THR 62 H THR 62 5.978 -3.997 -12.861 534 HA THR 62 HA THR 62 7.215 -6.452 -13.918 535 HB THR 62 HB THR 62 7.559 -7.023 -11.440 536 HG1 THR 62 HG1 THR 62 7.561 -4.216 -11.065 537 HG21 THR 62 HG21 THR 62 9.131 -4.746 -12.652 538 HG22 THR 62 HG22 THR 62 9.396 -6.462 -12.961 539 HG23 THR 62 HG23 THR 62 9.678 -5.804 -11.349 540 H HIS 63 H HIS 63 4.301 -5.117 -13.264 541 HA HIS 63 HA HIS 63 3.085 -7.716 -12.722 542 HB2 HIS 63 HB2 HIS 63 2.552 -5.246 -11.059 543 HB3 HIS 63 HB3 HIS 63 1.567 -6.703 -11.017 544 HD1 HIS 63 HD1 HIS 63 4.920 -5.380 -9.999 545 HD2 HIS 63 HD2 HIS 63 2.649 -8.833 -9.588 546 HE1 HIS 63 HE1 HIS 63 6.108 -6.766 -8.275 547 HE2 HIS 63 HE2 HIS 63 4.866 -8.956 -8.260 548 H SER 64 H SER 64 0.642 -7.562 -12.944 549 HA SER 64 HA SER 64 0.061 -6.115 -15.371 550 HB2 SER 64 HB2 SER 64 -2.221 -7.289 -15.035 551 HB3 SER 64 HB3 SER 64 -0.812 -8.289 -15.380 552 HG SER 64 HG SER 64 -1.463 -7.745 -12.701 553 H TYR 65 H TYR 65 -2.274 -5.146 -15.470 554 HA TYR 65 HA TYR 65 -2.140 -2.749 -14.030 555 HB2 TYR 65 HB2 TYR 65 -3.195 -2.724 -16.161 556 HB3 TYR 65 HB3 TYR 65 -4.332 -3.984 -15.693 557 HD1 TYR 65 HD2 TYR 65 -3.359 -0.475 -14.924 558 HD2 TYR 65 HD1 TYR 65 -6.432 -3.413 -14.858 559 HE1 TYR 65 HE2 TYR 65 -4.978 1.246 -14.245 560 HE2 TYR 65 HE1 TYR 65 -8.062 -1.701 -14.182 561 HH TYR 65 HH TYR 65 -7.454 1.601 -14.391 562 H GLU 66 H GLU 66 -4.328 -5.533 -13.642 563 HA GLU 66 HA GLU 66 -5.881 -4.435 -11.591 564 HB2 GLU 66 HB2 GLU 66 -5.285 -7.226 -12.479 565 HB3 GLU 66 HB3 GLU 66 -6.191 -6.964 -10.991 566 HG2 GLU 66 HG2 GLU 66 -6.970 -5.678 -13.572 567 HG3 GLU 66 HG3 GLU 66 -7.524 -7.293 -13.130 568 H THR 67 H THR 67 -2.774 -6.043 -11.469 569 HA THR 67 HA THR 67 -2.752 -6.539 -8.690 570 HB THR 67 HB THR 67 -0.221 -5.995 -10.195 571 HG1 THR 67 HG1 THR 67 -0.930 -8.522 -10.611 572 HG21 THR 67 HG21 THR 67 -1.070 -8.161 -8.266 573 HG22 THR 67 HG22 THR 67 -0.114 -6.737 -7.858 574 HG23 THR 67 HG23 THR 67 0.545 -7.961 -8.942 575 H ILE 68 H ILE 68 -1.388 -3.897 -10.659 576 HA ILE 68 HA ILE 68 -0.454 -2.453 -8.380 577 HB ILE 68 HB ILE 68 0.633 -2.164 -10.545 578 HG12 ILE 68 HG12 ILE 68 -0.685 0.376 -9.563 579 HG13 ILE 68 HG13 ILE 68 0.783 -0.345 -8.910 580 HG21 ILE 68 HG21 ILE 68 -0.413 -0.916 -12.363 581 HG22 ILE 68 HG22 ILE 68 -1.919 -0.846 -11.451 582 HG23 ILE 68 HG23 ILE 68 -1.298 -2.400 -12.008 583 HD11 ILE 68 HD11 ILE 68 0.453 0.748 -11.696 584 HD12 ILE 68 HD12 ILE 68 1.928 0.054 -11.021 585 HD13 ILE 68 HD13 ILE 68 1.273 1.549 -10.356 586 H ARG 69 H ARG 69 -3.365 -2.408 -10.331 587 HA ARG 69 HA ARG 69 -4.592 -0.102 -9.307 588 HB2 ARG 69 HB2 ARG 69 -5.434 -1.300 -11.262 589 HB3 ARG 69 HB3 ARG 69 -5.821 -2.695 -10.266 590 HG2 ARG 69 HG2 ARG 69 -7.460 -1.310 -9.036 591 HG3 ARG 69 HG3 ARG 69 -7.118 0.019 -10.150 592 HD2 ARG 69 HD2 ARG 69 -7.772 -1.434 -12.029 593 HD3 ARG 69 HD3 ARG 69 -8.185 -2.702 -10.880 594 HE ARG 69 HE ARG 69 -9.557 -0.212 -10.411 595 HH11 ARG 69 HH11 ARG 69 -9.601 -3.303 -12.065 596 HH12 ARG 69 HH12 ARG 69 -11.307 -3.227 -12.424 597 HH21 ARG 69 HH21 ARG 69 -11.803 -0.120 -10.867 598 HH22 ARG 69 HH22 ARG 69 -12.564 -1.443 -11.705 599 H LYS 70 H LYS 70 -4.891 -3.504 -8.285 600 HA LYS 70 HA LYS 70 -6.482 -3.088 -6.029 601 HB2 LYS 70 HB2 LYS 70 -4.698 -5.220 -7.010 602 HB3 LYS 70 HB3 LYS 70 -4.947 -5.210 -5.270 603 HG2 LYS 70 HG2 LYS 70 -6.518 -6.687 -6.407 604 HG3 LYS 70 HG3 LYS 70 -7.341 -5.370 -5.575 605 HD2 LYS 70 HD2 LYS 70 -7.557 -4.178 -7.729 606 HD3 LYS 70 HD3 LYS 70 -6.769 -5.532 -8.537 607 HE2 LYS 70 HE2 LYS 70 -8.547 -6.996 -8.040 608 HE3 LYS 70 HE3 LYS 70 -9.252 -5.870 -6.883 609 HZ1 LYS 70 HZ1 LYS 70 -9.734 -4.365 -8.748 610 HZ2 LYS 70 HZ2 LYS 70 -10.510 -5.861 -8.907 611 HZ3 LYS 70 HZ3 LYS 70 -9.135 -5.526 -9.837 612 H LEU 71 H LEU 71 -2.945 -3.206 -6.293 613 HA LEU 71 HA LEU 71 -2.234 -2.762 -3.659 614 HB2 LEU 71 HB2 LEU 71 -0.559 -3.277 -5.267 615 HB3 LEU 71 HB3 LEU 71 -0.974 -1.886 -6.247 616 HG LEU 71 HG LEU 71 -0.134 -0.421 -4.399 617 HD11 LEU 71 HD11 LEU 71 -0.314 -1.987 -2.560 618 HD12 LEU 71 HD12 LEU 71 1.347 -1.419 -2.734 619 HD13 LEU 71 HD13 LEU 71 0.899 -3.028 -3.304 620 HD21 LEU 71 HD21 LEU 71 1.190 -0.943 -6.393 621 HD22 LEU 71 HD22 LEU 71 1.863 -2.353 -5.570 622 HD23 LEU 71 HD23 LEU 71 2.201 -0.731 -4.963 623 H ASN 72 H ASN 72 -2.723 -0.317 -6.183 624 HA ASN 72 HA ASN 72 -2.314 1.914 -4.524 625 HB2 ASN 72 HB2 ASN 72 -2.113 2.117 -6.913 626 HB3 ASN 72 HB3 ASN 72 -3.780 1.613 -7.147 627 HD21 ASN 72 HD21 ASN 72 -1.735 4.181 -5.889 628 HD22 ASN 72 HD22 ASN 72 -2.909 5.435 -6.077 629 H SER 73 H SER 73 -5.190 0.047 -5.264 630 HA SER 73 HA SER 73 -7.124 1.764 -4.178 631 HB2 SER 73 HB2 SER 73 -7.789 -0.130 -5.526 632 HB3 SER 73 HB3 SER 73 -7.058 -1.257 -4.384 633 HG SER 73 HG SER 73 -9.050 0.504 -3.464 634 H TYR 74 H TYR 74 -5.270 -0.869 -2.644 635 HA TYR 74 HA TYR 74 -6.451 -0.654 -0.092 636 HB2 TYR 74 HB2 TYR 74 -3.600 -1.490 -0.665 637 HB3 TYR 74 HB3 TYR 74 -4.566 -1.917 0.740 638 HD1 TYR 74 HD1 TYR 74 -7.128 -2.657 -0.672 639 HD2 TYR 74 HD2 TYR 74 -3.067 -3.591 -1.529 640 HE1 TYR 74 HE1 TYR 74 -7.844 -4.718 -1.807 641 HE2 TYR 74 HE2 TYR 74 -3.773 -5.650 -2.666 642 HH TYR 74 HH TYR 74 -5.614 -7.159 -2.771 643 H ILE 75 H ILE 75 -3.619 0.872 -1.526 644 HA ILE 75 HA ILE 75 -2.714 2.206 0.775 645 HB ILE 75 HB ILE 75 -2.328 2.890 -2.142 646 HG12 ILE 75 HG12 ILE 75 -0.546 1.468 -0.151 647 HG13 ILE 75 HG13 ILE 75 -1.494 0.679 -1.407 648 HG21 ILE 75 HG21 ILE 75 -1.947 4.862 -0.746 649 HG22 ILE 75 HG22 ILE 75 -0.436 4.258 -1.423 650 HG23 ILE 75 HG23 ILE 75 -0.837 3.938 0.266 651 HD11 ILE 75 HD11 ILE 75 0.779 2.603 -1.833 652 HD12 ILE 75 HD12 ILE 75 -0.187 1.861 -3.109 653 HD13 ILE 75 HD13 ILE 75 0.820 0.855 -2.066 654 H ARG 76 H ARG 76 -4.933 3.244 -1.812 655 HA ARG 76 HA ARG 76 -5.373 5.860 -0.903 656 HB2 ARG 76 HB2 ARG 76 -7.268 3.972 -2.309 657 HB3 ARG 76 HB3 ARG 76 -7.608 5.672 -2.025 658 HG2 ARG 76 HG2 ARG 76 -5.588 6.230 -3.364 659 HG3 ARG 76 HG3 ARG 76 -5.434 4.514 -3.750 660 HD2 ARG 76 HD2 ARG 76 -7.746 4.575 -4.665 661 HD3 ARG 76 HD3 ARG 76 -7.761 6.318 -4.402 662 HE ARG 76 HE ARG 76 -5.671 5.149 -6.096 663 HH11 ARG 76 HH11 ARG 76 -8.585 7.075 -5.789 664 HH12 ARG 76 HH12 ARG 76 -8.449 7.766 -7.384 665 HH21 ARG 76 HH21 ARG 76 -5.494 6.036 -8.188 666 HH22 ARG 76 HH22 ARG 76 -6.672 7.185 -8.749 667 H ASN 77 H ASN 77 -7.044 2.837 -0.117 668 HA ASN 77 HA ASN 77 -9.021 4.032 1.516 669 HB2 ASN 77 HB2 ASN 77 -9.187 1.782 0.412 670 HB3 ASN 77 HB3 ASN 77 -8.063 1.164 1.617 671 HD21 ASN 77 HD21 ASN 77 -10.469 3.571 2.339 672 HD22 ASN 77 HD22 ASN 77 -11.457 2.567 3.344 673 H ALA 78 H ALA 78 -5.858 2.640 2.202 674 HA ALA 78 HA ALA 78 -6.005 2.664 5.003 675 HB1 ALA 78 HB1 ALA 78 -3.591 3.074 3.241 676 HB2 ALA 78 HB2 ALA 78 -4.224 1.524 3.795 677 HB3 ALA 78 HB3 ALA 78 -3.555 2.672 4.957 678 H PHE 79 H PHE 79 -5.039 5.154 2.689 679 HA PHE 79 HA PHE 79 -4.448 7.082 4.710 680 HB2 PHE 79 HB2 PHE 79 -4.663 7.172 1.727 681 HB3 PHE 79 HB3 PHE 79 -4.612 8.677 2.645 682 HD1 PHE 79 HD1 PHE 79 -2.704 8.857 4.396 683 HD2 PHE 79 HD2 PHE 79 -2.663 6.176 1.093 684 HE1 PHE 79 HE1 PHE 79 -0.256 8.694 4.566 685 HE2 PHE 79 HE2 PHE 79 -0.213 6.010 1.256 686 HZ PHE 79 HZ PHE 79 0.991 7.268 3.000 687 H ASP 80 H ASP 80 -7.308 6.238 2.858 688 HA ASP 80 HA ASP 80 -8.920 8.427 3.476 689 HB2 ASP 80 HB2 ASP 80 -9.569 5.512 3.104 690 HB3 ASP 80 HB3 ASP 80 -10.824 6.673 3.522 691 H ASP 81 H ASP 81 -8.258 5.511 5.384 692 HA ASP 81 HA ASP 81 -9.897 6.280 7.573 693 HB2 ASP 81 HB2 ASP 81 -7.639 4.292 7.340 694 HB3 ASP 81 HB3 ASP 81 -8.511 4.561 8.845 695 H ALA 82 H ALA 82 -6.524 6.832 6.761 696 HA ALA 82 HA ALA 82 -5.758 7.931 9.259 697 HB1 ALA 82 HB1 ALA 82 -3.806 8.775 8.080 698 HB2 ALA 82 HB2 ALA 82 -4.576 8.431 6.532 699 HB3 ALA 82 HB3 ALA 82 -4.140 7.107 7.613 700 H ILE 83 H ILE 83 -6.918 9.379 6.246 701 HA ILE 83 HA ILE 83 -6.635 12.063 7.097 702 HB ILE 83 HB ILE 83 -6.797 11.270 4.719 703 HG12 ILE 83 HG12 ILE 83 -8.644 13.533 5.498 704 HG13 ILE 83 HG13 ILE 83 -6.891 13.654 5.381 705 HG21 ILE 83 HG21 ILE 83 -8.761 9.858 4.896 706 HG22 ILE 83 HG22 ILE 83 -9.023 11.131 3.703 707 HG23 ILE 83 HG23 ILE 83 -9.751 11.260 5.304 708 HD11 ILE 83 HD11 ILE 83 -7.008 13.171 3.001 709 HD12 ILE 83 HD12 ILE 83 -8.000 14.570 3.415 710 HD13 ILE 83 HD13 ILE 83 -8.760 13.006 3.113 711 H HIS 84 H HIS 84 -9.198 9.710 7.475 712 HA HIS 84 HA HIS 84 -11.322 11.345 8.223 713 HB2 HIS 84 HB2 HIS 84 -10.493 8.641 9.276 714 HB3 HIS 84 HB3 HIS 84 -11.979 9.436 9.769 715 HD1 HIS 84 HD1 HIS 84 -11.885 6.703 8.260 716 HD2 HIS 84 HD2 HIS 84 -12.535 10.409 6.496 717 HE1 HIS 84 HE1 HIS 84 -13.072 6.226 6.098 718 HE2 HIS 84 HE2 HIS 84 -13.276 8.467 4.964 719 H GLU 85 H GLU 85 -8.421 10.471 9.974 720 HA GLU 85 HA GLU 85 -9.385 11.875 12.361 721 HB2 GLU 85 HB2 GLU 85 -8.239 9.681 12.642 722 HB3 GLU 85 HB3 GLU 85 -6.785 10.381 11.942 723 HG2 GLU 85 HG2 GLU 85 -6.593 11.931 13.777 724 HG3 GLU 85 HG3 GLU 85 -8.120 11.369 14.455 725 H GLY 86 H GLY 86 -7.100 12.086 9.751 726 HA2 GLY 86 HA2 GLY 86 -6.499 14.276 8.924 727 HA3 GLY 86 HA3 GLY 86 -6.494 14.843 10.589 728 H TYR 87 H TYR 87 -5.132 11.766 9.796 729 HA TYR 87 HA TYR 87 -2.638 12.307 10.955 730 HB2 TYR 87 HB2 TYR 87 -3.908 10.059 10.140 731 HB3 TYR 87 HB3 TYR 87 -2.753 10.238 8.826 732 HD1 TYR 87 HD1 TYR 87 -0.305 11.061 9.982 733 HD2 TYR 87 HD2 TYR 87 -3.236 8.458 11.632 734 HE1 TYR 87 HE1 TYR 87 1.424 9.994 11.364 735 HE2 TYR 87 HE2 TYR 87 -1.513 7.378 13.011 736 HH TYR 87 HH TYR 87 0.755 7.123 13.264 737 H VAL 88 H VAL 88 -3.476 11.928 7.519 738 HA VAL 88 HA VAL 88 -1.266 13.756 6.863 739 HB VAL 88 HB VAL 88 -2.347 11.558 5.088 740 HG11 VAL 88 HG11 VAL 88 0.044 13.369 4.786 741 HG12 VAL 88 HG12 VAL 88 -1.445 13.431 3.840 742 HG13 VAL 88 HG13 VAL 88 -0.372 12.037 3.708 743 HG21 VAL 88 HG21 VAL 88 0.213 11.621 6.680 744 HG22 VAL 88 HG22 VAL 88 -0.244 10.380 5.511 745 HG23 VAL 88 HG23 VAL 88 -1.184 10.588 6.989 746 H ILE 89 H ILE 89 -1.928 15.618 5.999 747 HA ILE 89 HA ILE 89 -4.715 16.017 5.429 748 HB ILE 89 HB ILE 89 -3.491 17.755 6.585 749 HG12 ILE 89 HG12 ILE 89 -4.266 18.675 3.806 750 HG13 ILE 89 HG13 ILE 89 -5.384 18.414 5.142 751 HG21 ILE 89 HG21 ILE 89 -1.812 17.995 4.096 752 HG22 ILE 89 HG22 ILE 89 -1.284 17.379 5.662 753 HG23 ILE 89 HG23 ILE 89 -1.746 19.072 5.492 754 HD11 ILE 89 HD11 ILE 89 -4.278 20.190 6.404 755 HD12 ILE 89 HD12 ILE 89 -4.902 20.768 4.860 756 HD13 ILE 89 HD13 ILE 89 -3.178 20.459 5.053 757 H LYS 90 H LYS 90 -1.784 15.661 3.557 758 HA LYS 90 HA LYS 90 -3.414 15.731 1.115 759 HB2 LYS 90 HB2 LYS 90 -0.592 16.744 1.496 760 HB3 LYS 90 HB3 LYS 90 -1.329 16.494 -0.078 761 HG2 LYS 90 HG2 LYS 90 -2.338 18.389 2.036 762 HG3 LYS 90 HG3 LYS 90 -1.388 18.839 0.619 763 HD2 LYS 90 HD2 LYS 90 -4.128 17.571 0.592 764 HD3 LYS 90 HD3 LYS 90 -3.765 19.265 0.257 765 HE2 LYS 90 HE2 LYS 90 -2.423 18.592 -1.675 766 HE3 LYS 90 HE3 LYS 90 -2.780 16.900 -1.337 767 HZ1 LYS 90 HZ1 LYS 90 -4.662 19.016 -2.209 768 HZ2 LYS 90 HZ2 LYS 90 -5.187 17.526 -1.591 769 HZ3 LYS 90 HZ3 LYS 90 -4.263 17.575 -3.016 770 H ASN 91 H ASN 91 -3.680 13.629 0.705 771 HA ASN 91 HA ASN 91 -1.909 11.582 1.409 772 HB2 ASN 91 HB2 ASN 91 -4.062 11.649 -0.715 773 HB3 ASN 91 HB3 ASN 91 -3.211 10.188 -0.227 774 HD21 ASN 91 HD21 ASN 91 -6.035 10.745 -0.070 775 HD22 ASN 91 HD22 ASN 91 -6.468 10.622 1.597 776 HA PRO 92 HA PRO 92 1.358 11.788 -1.539 777 HB2 PRO 92 HB2 PRO 92 1.379 8.833 -1.432 778 HB3 PRO 92 HB3 PRO 92 2.659 9.985 -1.042 779 HG2 PRO 92 HG2 PRO 92 1.374 8.655 0.884 780 HG3 PRO 92 HG3 PRO 92 1.866 10.347 1.104 781 HD2 PRO 92 HD2 PRO 92 -0.836 9.224 0.456 782 HD3 PRO 92 HD3 PRO 92 -0.401 10.546 1.561 783 H THR 93 H THR 93 -1.584 10.194 -2.164 784 HA THR 93 HA THR 93 -0.967 9.272 -4.801 785 HB THR 93 HB THR 93 -3.519 9.173 -4.993 786 HG1 THR 93 HG1 THR 93 -4.445 10.337 -3.464 787 HG21 THR 93 HG21 THR 93 -2.155 7.216 -4.450 788 HG22 THR 93 HG22 THR 93 -3.668 7.195 -3.545 789 HG23 THR 93 HG23 THR 93 -2.169 7.668 -2.745 790 H TYR 94 H TYR 94 0.057 11.263 -5.529 791 HA TYR 94 HA TYR 94 -1.687 13.521 -6.077 792 HB2 TYR 94 HB2 TYR 94 0.711 13.799 -5.395 793 HB3 TYR 94 HB3 TYR 94 1.183 13.088 -6.933 794 HD1 TYR 94 HD1 TYR 94 -0.880 15.880 -5.562 795 HD2 TYR 94 HD2 TYR 94 1.617 14.497 -8.715 796 HE1 TYR 94 HE1 TYR 94 -0.948 18.113 -6.585 797 HE2 TYR 94 HE2 TYR 94 1.557 16.725 -9.752 798 HH TYR 94 HH TYR 94 0.272 19.482 -8.097 799 H LYS 95 H LYS 95 0.651 12.046 -8.299 800 HA LYS 95 HA LYS 95 -1.576 11.628 -10.156 801 HB2 LYS 95 HB2 LYS 95 0.121 11.693 -11.990 802 HB3 LYS 95 HB3 LYS 95 -0.104 13.214 -11.149 803 HG2 LYS 95 HG2 LYS 95 1.972 12.907 -9.949 804 HG3 LYS 95 HG3 LYS 95 2.181 11.305 -10.668 805 HD2 LYS 95 HD2 LYS 95 2.209 12.361 -12.909 806 HD3 LYS 95 HD3 LYS 95 2.114 13.943 -12.137 807 HE2 LYS 95 HE2 LYS 95 4.243 13.571 -11.045 808 HE3 LYS 95 HE3 LYS 95 4.328 11.938 -11.707 809 HZ1 LYS 95 HZ1 LYS 95 4.355 14.471 -13.262 810 HZ2 LYS 95 HZ2 LYS 95 4.342 12.920 -13.943 811 HZ3 LYS 95 HZ3 LYS 95 5.672 13.428 -13.019 812 H ALA 96 H ALA 96 -2.105 9.662 -9.304 813 HA ALA 96 HA ALA 96 -0.117 7.546 -9.197 814 HB1 ALA 96 HB1 ALA 96 -1.722 7.716 -7.375 815 HB2 ALA 96 HB2 ALA 96 -1.921 6.194 -8.243 816 HB3 ALA 96 HB3 ALA 96 -3.053 7.518 -8.517 817 H GLU 97 H GLU 97 0.390 7.058 -11.261 818 HA GLU 97 HA GLU 97 -1.775 6.529 -13.154 819 HB2 GLU 97 HB2 GLU 97 1.196 6.837 -13.622 820 HB3 GLU 97 HB3 GLU 97 -0.034 6.671 -14.869 821 HG2 GLU 97 HG2 GLU 97 -0.043 8.896 -12.864 822 HG3 GLU 97 HG3 GLU 97 0.796 9.009 -14.405 823 H LEU 98 H LEU 98 -2.445 4.522 -13.123 824 HA LEU 98 HA LEU 98 -0.735 2.330 -12.317 825 HB2 LEU 98 HB2 LEU 98 -3.594 2.275 -13.289 826 HB3 LEU 98 HB3 LEU 98 -2.762 1.023 -12.380 827 HG LEU 98 HG LEU 98 -3.335 3.790 -11.303 828 HD11 LEU 98 HD11 LEU 98 -4.800 1.193 -10.812 829 HD12 LEU 98 HD12 LEU 98 -5.420 2.577 -11.714 830 HD13 LEU 98 HD13 LEU 98 -5.098 2.722 -9.985 831 HD21 LEU 98 HD21 LEU 98 -2.393 1.251 -9.970 832 HD22 LEU 98 HD22 LEU 98 -2.777 2.763 -9.148 833 HD23 LEU 98 HD23 LEU 98 -1.421 2.692 -10.275 834 H HIS 99 H HIS 99 0.264 3.471 -14.548 835 HA HIS 99 HA HIS 99 -0.774 2.212 -16.940 836 HB2 HIS 99 HB2 HIS 99 0.008 4.590 -16.871 837 HB3 HIS 99 HB3 HIS 99 1.642 4.003 -16.601 838 HD1 HIS 99 HD1 HIS 99 -1.030 4.206 -19.231 839 HD2 HIS 99 HD2 HIS 99 2.973 3.134 -18.877 840 HE1 HIS 99 HE1 HIS 99 -0.178 3.965 -21.584 841 HE2 HIS 99 HE2 HIS 99 2.204 3.185 -21.342 842 H ALA 100 H ALA 100 -0.345 0.029 -16.308 843 HA ALA 100 HA ALA 100 2.326 -0.893 -15.873 844 HB1 ALA 100 HB1 ALA 100 -0.117 -2.481 -16.663 845 HB2 ALA 100 HB2 ALA 100 0.334 -2.072 -15.008 846 HB3 ALA 100 HB3 ALA 100 1.377 -3.114 -15.972 847 H SER 101 H SER 101 3.803 -0.738 -17.449 848 HA SER 101 HA SER 101 3.077 -0.688 -20.210 849 HB2 SER 101 HB2 SER 101 5.767 -0.705 -18.837 850 HB3 SER 101 HB3 SER 101 5.558 -0.554 -20.583 851 HG SER 101 HG SER 101 4.121 1.278 -20.031 852 H VAL 102 H VAL 102 3.331 -3.221 -18.157 853 HA VAL 102 HA VAL 102 4.566 -5.163 -19.840 854 HB VAL 102 HB VAL 102 2.461 -5.627 -17.715 855 HG11 VAL 102 HG11 VAL 102 2.828 -7.559 -19.148 856 HG12 VAL 102 HG12 VAL 102 3.463 -7.854 -17.528 857 HG13 VAL 102 HG13 VAL 102 4.565 -7.466 -18.849 858 HG21 VAL 102 HG21 VAL 102 5.457 -5.511 -17.426 859 HG22 VAL 102 HG22 VAL 102 4.324 -6.012 -16.171 860 HG23 VAL 102 HG23 VAL 102 4.297 -4.354 -16.775 861 H LEU 103 H LEU 103 1.431 -3.687 -19.660 862 HA LEU 103 HA LEU 103 0.201 -5.777 -21.284 863 HB2 LEU 103 HB2 LEU 103 -1.012 -3.362 -19.943 864 HB3 LEU 103 HB3 LEU 103 -1.909 -4.582 -20.825 865 HG LEU 103 HG LEU 103 -0.360 -5.009 -18.273 866 HD11 LEU 103 HD11 LEU 103 -2.588 -5.478 -17.333 867 HD12 LEU 103 HD12 LEU 103 -3.312 -4.994 -18.867 868 HD13 LEU 103 HD13 LEU 103 -2.418 -3.818 -17.903 869 HD21 LEU 103 HD21 LEU 103 -0.229 -6.980 -19.700 870 HD22 LEU 103 HD22 LEU 103 -1.982 -6.964 -19.901 871 HD23 LEU 103 HD23 LEU 103 -1.280 -7.277 -18.314 872 H GLU 104 H GLU 104 1.962 -3.098 -21.953 873 HA GLU 104 HA GLU 104 0.362 -2.514 -24.350 874 HB2 GLU 104 HB2 GLU 104 1.608 -0.414 -24.554 875 HB3 GLU 104 HB3 GLU 104 0.783 -0.525 -23.008 876 HG2 GLU 104 HG2 GLU 104 2.937 -1.214 -21.980 877 HG3 GLU 104 HG3 GLU 104 3.716 -0.911 -23.534 878 H HIS 105 H HIS 105 1.218 -2.786 -26.350 879 HA HIS 105 HA HIS 105 3.763 -4.279 -26.409 880 HB2 HIS 105 HB2 HIS 105 1.435 -4.584 -28.313 881 HB3 HIS 105 HB3 HIS 105 2.851 -5.620 -28.192 882 HD1 HIS 105 HD1 HIS 105 -0.401 -4.848 -26.500 883 HD2 HIS 105 HD2 HIS 105 2.739 -7.557 -26.171 884 HE1 HIS 105 HE1 HIS 105 -1.201 -6.624 -24.907 885 HE2 HIS 105 HE2 HIS 105 0.779 -8.149 -24.582 886 H HIS 106 H HIS 106 4.595 -4.357 -28.803 887 HA HIS 106 HA HIS 106 4.171 -1.840 -30.216 888 HB2 HIS 106 HB2 HIS 106 6.099 -1.496 -28.668 889 HB3 HIS 106 HB3 HIS 106 6.931 -2.831 -29.453 890 HD1 HIS 106 HD1 HIS 106 8.773 -1.785 -30.747 891 HD2 HIS 106 HD2 HIS 106 5.203 0.315 -31.132 892 HE1 HIS 106 HE1 HIS 106 9.238 0.051 -32.397 893 HE2 HIS 106 HE2 HIS 106 7.148 1.450 -32.405 894 H HIS 107 H HIS 107 3.726 -2.375 -32.243 895 HA HIS 107 HA HIS 107 4.662 -4.956 -33.270 896 HB2 HIS 107 HB2 HIS 107 2.623 -3.020 -34.390 897 HB3 HIS 107 HB3 HIS 107 3.018 -4.589 -35.079 898 HD1 HIS 107 HD1 HIS 107 1.966 -6.655 -33.995 899 HD2 HIS 107 HD2 HIS 107 1.091 -3.098 -32.020 900 HE1 HIS 107 HE1 HIS 107 0.144 -7.214 -32.356 901 HE2 HIS 107 HE2 HIS 107 -0.523 -5.005 -31.347 902 H HIS 108 H HIS 108 5.084 -4.913 -35.731 903 HA HIS 108 HA HIS 108 7.118 -2.892 -36.268 904 HB2 HIS 108 HB2 HIS 108 6.288 -5.411 -37.720 905 HB3 HIS 108 HB3 HIS 108 7.443 -4.271 -38.396 906 HD1 HIS 108 HD1 HIS 108 9.760 -5.031 -38.058 907 HD2 HIS 108 HD2 HIS 108 7.280 -6.191 -34.920 908 HE1 HIS 108 HE1 HIS 108 11.223 -6.316 -36.472 909 HE2 HIS 108 HE2 HIS 108 9.676 -7.139 -34.659 910 H HIS 109 H HIS 109 7.148 -1.919 -38.485 911 HA HIS 109 HA HIS 109 4.477 -1.578 -39.646 912 HB2 HIS 109 HB2 HIS 109 4.739 0.827 -39.842 913 HB3 HIS 109 HB3 HIS 109 4.913 0.371 -38.152 914 HD1 HIS 109 HD1 HIS 109 7.314 0.578 -37.119 915 HD2 HIS 109 HD2 HIS 109 6.954 2.024 -40.997 916 HE1 HIS 109 HE1 HIS 109 9.389 1.931 -37.528 917 HE2 HIS 109 HE2 HIS 109 9.195 2.738 -39.909 918 H HIS 110 H HIS 110 7.916 -1.594 -39.906 919 HA HIS 110 HA HIS 110 7.939 -2.466 -42.573 920 HB2 HIS 110 HB2 HIS 110 7.399 -0.084 -43.042 921 HB3 HIS 110 HB3 HIS 110 8.857 0.396 -42.181 922 HD1 HIS 110 HD1 HIS 110 10.743 0.879 -43.691 923 HD2 HIS 110 HD2 HIS 110 8.193 -2.000 -45.279 924 HE1 HIS 110 HE1 HIS 110 11.684 0.305 -45.952 925 HE2 HIS 110 HE2 HIS 110 10.044 -1.323 -46.954 Start of MODEL 5 1 H1 MET 1 H1 MET 1 5.361 9.492 15.867 2 H2 MET 1 H2 MET 1 3.838 8.854 16.246 3 H3 MET 1 H3 MET 1 3.982 10.478 15.782 4 HA MET 1 HA MET 1 3.098 9.162 13.986 5 HB2 MET 1 HB2 MET 1 5.923 10.149 13.564 6 HB3 MET 1 HB3 MET 1 4.827 9.714 12.260 7 HG2 MET 1 HG2 MET 1 4.480 11.933 14.258 8 HG3 MET 1 HG3 MET 1 4.815 12.090 12.534 9 HE1 MET 1 HE1 MET 1 2.920 9.837 11.310 10 HE2 MET 1 HE2 MET 1 3.036 11.456 10.618 11 HE3 MET 1 HE3 MET 1 1.454 10.756 10.968 12 H ILE 2 H ILE 2 3.856 7.713 12.129 13 HA ILE 2 HA ILE 2 5.408 5.443 13.135 14 HB ILE 2 HB ILE 2 2.996 5.068 13.669 15 HG12 ILE 2 HG12 ILE 2 4.129 3.215 11.561 16 HG13 ILE 2 HG13 ILE 2 4.490 3.153 13.283 17 HG21 ILE 2 HG21 ILE 2 2.648 5.098 10.675 18 HG22 ILE 2 HG22 ILE 2 2.022 6.295 11.809 19 HG23 ILE 2 HG23 ILE 2 1.417 4.640 11.852 20 HD11 ILE 2 HD11 ILE 2 2.149 2.635 13.750 21 HD12 ILE 2 HD12 ILE 2 2.880 1.451 12.665 22 HD13 ILE 2 HD13 ILE 2 1.798 2.687 12.023 23 H THR 3 H THR 3 6.014 3.937 11.398 24 HA THR 3 HA THR 3 6.681 5.323 8.974 25 HB THR 3 HB THR 3 7.712 3.131 8.319 26 HG1 THR 3 HG1 THR 3 7.822 1.779 10.484 27 HG21 THR 3 HG21 THR 3 9.015 4.832 9.508 28 HG22 THR 3 HG22 THR 3 9.503 3.207 9.989 29 HG23 THR 3 HG23 THR 3 8.477 4.172 11.052 30 H PHE 4 H PHE 4 6.096 4.628 6.848 31 HA PHE 4 HA PHE 4 3.329 4.179 6.553 32 HB2 PHE 4 HB2 PHE 4 4.602 5.436 4.906 33 HB3 PHE 4 HB3 PHE 4 5.578 4.020 4.534 34 HD1 PHE 4 HD2 PHE 4 1.893 4.342 4.950 35 HD2 PHE 4 HD1 PHE 4 5.138 3.522 2.320 36 HE1 PHE 4 HE2 PHE 4 0.301 3.692 3.190 37 HE2 PHE 4 HE1 PHE 4 3.550 2.873 0.559 38 HZ PHE 4 HZ PHE 4 1.129 2.955 0.993 39 H ALA 5 H ALA 5 6.128 2.067 6.123 40 HA ALA 5 HA ALA 5 4.794 -0.147 5.067 41 HB1 ALA 5 HB1 ALA 5 7.228 0.106 5.035 42 HB2 ALA 5 HB2 ALA 5 6.750 -1.439 5.739 43 HB3 ALA 5 HB3 ALA 5 7.274 -0.118 6.783 44 H ASP 6 H ASP 6 5.592 0.630 8.452 45 HA ASP 6 HA ASP 6 4.486 -1.783 9.472 46 HB2 ASP 6 HB2 ASP 6 6.221 -0.486 10.667 47 HB3 ASP 6 HB3 ASP 6 5.051 0.801 10.935 48 H TYR 7 H TYR 7 3.260 1.514 9.111 49 HA TYR 7 HA TYR 7 0.821 1.138 10.460 50 HB2 TYR 7 HB2 TYR 7 1.536 3.376 9.939 51 HB3 TYR 7 HB3 TYR 7 1.550 3.026 8.214 52 HD1 TYR 7 HD1 TYR 7 -0.683 3.413 11.151 53 HD2 TYR 7 HD2 TYR 7 -0.399 3.302 6.910 54 HE1 TYR 7 HE1 TYR 7 -3.011 4.190 10.981 55 HE2 TYR 7 HE2 TYR 7 -2.723 4.078 6.727 56 HH TYR 7 HH TYR 7 -4.740 4.175 8.001 57 H PHE 8 H PHE 8 1.727 0.645 7.069 58 HA PHE 8 HA PHE 8 -0.819 0.095 6.058 59 HB2 PHE 8 HB2 PHE 8 1.192 0.437 4.646 60 HB3 PHE 8 HB3 PHE 8 1.804 -1.130 5.170 61 HD1 PHE 8 HD1 PHE 8 -0.940 0.529 3.331 62 HD2 PHE 8 HD2 PHE 8 1.114 -3.113 4.124 63 HE1 PHE 8 HE1 PHE 8 -2.157 -0.555 1.489 64 HE2 PHE 8 HE2 PHE 8 -0.101 -4.204 2.284 65 HZ PHE 8 HZ PHE 8 -1.737 -2.925 0.963 66 H TYR 9 H TYR 9 1.590 -2.072 7.499 67 HA TYR 9 HA TYR 9 -0.004 -4.402 7.158 68 HB2 TYR 9 HB2 TYR 9 2.477 -4.440 7.484 69 HB3 TYR 9 HB3 TYR 9 2.219 -3.995 9.170 70 HD1 TYR 9 HD2 TYR 9 1.758 -6.644 6.657 71 HD2 TYR 9 HD1 TYR 9 1.428 -5.602 10.770 72 HE1 TYR 9 HE2 TYR 9 1.431 -9.013 7.223 73 HE2 TYR 9 HE1 TYR 9 1.093 -7.965 11.348 74 HH TYR 9 HH TYR 9 0.326 -10.011 10.301 75 H GLN 10 H GLN 10 0.505 -2.168 9.871 76 HA GLN 10 HA GLN 10 -1.040 -3.520 11.786 77 HB2 GLN 10 HB2 GLN 10 0.410 -1.641 12.375 78 HB3 GLN 10 HB3 GLN 10 -0.590 -0.545 11.430 79 HG2 GLN 10 HG2 GLN 10 -2.479 -1.041 12.961 80 HG3 GLN 10 HG3 GLN 10 -1.375 -2.002 13.945 81 HE21 GLN 10 HE21 GLN 10 -2.883 0.400 14.636 82 HE22 GLN 10 HE22 GLN 10 -1.718 1.577 15.136 83 H TRP 11 H TRP 11 -1.906 -1.042 9.427 84 HA TRP 11 HA TRP 11 -4.611 -0.749 9.998 85 HB2 TRP 11 HB2 TRP 11 -3.497 0.766 8.505 86 HB3 TRP 11 HB3 TRP 11 -3.067 -0.537 7.409 87 HD1 TRP 11 HD1 TRP 11 -6.156 1.492 8.534 88 HE1 TRP 11 HE1 TRP 11 -7.887 1.438 6.615 89 HE3 TRP 11 HE3 TRP 11 -3.775 -1.777 5.401 90 HZ2 TRP 11 HZ2 TRP 11 -8.183 0.160 4.118 91 HZ3 TRP 11 HZ3 TRP 11 -4.852 -2.360 3.267 92 HH2 TRP 11 HH2 TRP 11 -7.009 -1.410 2.642 93 H TYR 12 H TYR 12 -3.050 -2.951 7.660 94 HA TYR 12 HA TYR 12 -5.396 -4.211 6.789 95 HB2 TYR 12 HB2 TYR 12 -3.390 -4.463 5.514 96 HB3 TYR 12 HB3 TYR 12 -2.532 -5.162 6.882 97 HD1 TYR 12 HD2 TYR 12 -5.718 -5.860 5.032 98 HD2 TYR 12 HD1 TYR 12 -2.118 -7.410 6.692 99 HE1 TYR 12 HE2 TYR 12 -6.344 -8.108 4.279 100 HE2 TYR 12 HE1 TYR 12 -2.740 -9.663 5.931 101 HH TYR 12 HH TYR 12 -5.305 -10.202 3.747 102 H GLU 13 H GLU 13 -3.084 -5.175 9.289 103 HA GLU 13 HA GLU 13 -4.112 -7.633 10.007 104 HB2 GLU 13 HB2 GLU 13 -1.964 -6.664 10.756 105 HB3 GLU 13 HB3 GLU 13 -2.838 -5.568 11.809 106 HG2 GLU 13 HG2 GLU 13 -2.023 -7.292 13.172 107 HG3 GLU 13 HG3 GLU 13 -3.745 -7.590 12.985 108 H VAL 14 H VAL 14 -5.219 -4.434 10.982 109 HA VAL 14 HA VAL 14 -7.089 -5.570 12.915 110 HB VAL 14 HB VAL 14 -6.685 -2.674 12.134 111 HG11 VAL 14 HG11 VAL 14 -7.817 -2.183 14.250 112 HG12 VAL 14 HG12 VAL 14 -8.082 -3.908 14.505 113 HG13 VAL 14 HG13 VAL 14 -8.853 -3.089 13.147 114 HG21 VAL 14 HG21 VAL 14 -5.382 -2.473 14.197 115 HG22 VAL 14 HG22 VAL 14 -4.637 -3.607 13.069 116 HG23 VAL 14 HG23 VAL 14 -5.534 -4.211 14.463 117 H ASN 15 H ASN 15 -7.095 -4.286 9.663 118 HA ASN 15 HA ASN 15 -9.929 -3.578 9.906 119 HB2 ASN 15 HB2 ASN 15 -7.735 -2.285 8.720 120 HB3 ASN 15 HB3 ASN 15 -8.780 -2.786 7.395 121 HD21 ASN 15 HD21 ASN 15 -8.155 -0.136 8.552 122 HD22 ASN 15 HD22 ASN 15 -9.683 0.560 8.953 123 H LYS 16 H LYS 16 -7.788 -5.268 7.591 124 HA LYS 16 HA LYS 16 -10.225 -6.124 6.173 125 HB2 LYS 16 HB2 LYS 16 -7.388 -6.137 5.146 126 HB3 LYS 16 HB3 LYS 16 -8.852 -6.397 4.211 127 HG2 LYS 16 HG2 LYS 16 -8.090 -3.829 5.579 128 HG3 LYS 16 HG3 LYS 16 -7.907 -4.171 3.858 129 HD2 LYS 16 HD2 LYS 16 -10.346 -4.486 3.693 130 HD3 LYS 16 HD3 LYS 16 -10.498 -4.062 5.400 131 HE2 LYS 16 HE2 LYS 16 -9.499 -1.873 4.929 132 HE3 LYS 16 HE3 LYS 16 -9.387 -2.297 3.224 133 HZ1 LYS 16 HZ1 LYS 16 -11.824 -2.524 3.205 134 HZ2 LYS 16 HZ2 LYS 16 -11.310 -0.955 3.587 135 HZ3 LYS 16 HZ3 LYS 16 -11.872 -1.981 4.814 136 H LEU 17 H LEU 17 -7.884 -7.315 8.239 137 HA LEU 17 HA LEU 17 -7.010 -9.689 7.185 138 HB2 LEU 17 HB2 LEU 17 -6.330 -8.624 9.356 139 HB3 LEU 17 HB3 LEU 17 -7.772 -9.319 10.071 140 HG LEU 17 HG LEU 17 -6.834 -11.579 9.228 141 HD11 LEU 17 HD11 LEU 17 -5.082 -10.574 7.817 142 HD12 LEU 17 HD12 LEU 17 -4.433 -11.687 9.021 143 HD13 LEU 17 HD13 LEU 17 -4.300 -9.946 9.270 144 HD21 LEU 17 HD21 LEU 17 -5.524 -11.833 11.275 145 HD22 LEU 17 HD22 LEU 17 -7.031 -10.967 11.574 146 HD23 LEU 17 HD23 LEU 17 -5.508 -10.081 11.482 147 HA PRO 18 HA PRO 18 -10.666 -12.202 8.851 148 HB2 PRO 18 HB2 PRO 18 -12.741 -11.092 10.128 149 HB3 PRO 18 HB3 PRO 18 -11.207 -11.409 10.950 150 HG2 PRO 18 HG2 PRO 18 -12.307 -8.845 9.892 151 HG3 PRO 18 HG3 PRO 18 -11.379 -9.142 11.371 152 HD2 PRO 18 HD2 PRO 18 -10.336 -8.148 8.998 153 HD3 PRO 18 HD3 PRO 18 -9.388 -8.910 10.290 154 H HIS 19 H HIS 19 -10.874 -9.913 6.607 155 HA HIS 19 HA HIS 19 -13.628 -10.635 5.834 156 HB2 HIS 19 HB2 HIS 19 -12.200 -8.049 5.201 157 HB3 HIS 19 HB3 HIS 19 -13.845 -8.461 4.741 158 HD2 HIS 19 HD2 HIS 19 -11.884 -6.970 7.653 159 HE1 HIS 19 HE1 HIS 19 -15.868 -7.520 8.959 160 HE2 HIS 19 HE2 HIS 19 -13.687 -6.284 9.379 161 H VAL 20 H VAL 20 -10.329 -10.496 4.887 162 HA VAL 20 HA VAL 20 -11.027 -10.804 2.062 163 HB VAL 20 HB VAL 20 -8.682 -10.401 1.576 164 HG11 VAL 20 HG11 VAL 20 -10.128 -8.472 1.793 165 HG12 VAL 20 HG12 VAL 20 -8.515 -8.089 2.393 166 HG13 VAL 20 HG13 VAL 20 -9.824 -8.411 3.529 167 HG21 VAL 20 HG21 VAL 20 -7.090 -9.834 3.355 168 HG22 VAL 20 HG22 VAL 20 -7.671 -11.494 3.500 169 HG23 VAL 20 HG23 VAL 20 -8.307 -10.240 4.565 170 H SER 21 H SER 21 -9.959 -12.427 0.788 171 HA SER 21 HA SER 21 -9.861 -14.983 2.137 172 HB2 SER 21 HB2 SER 21 -9.641 -15.855 -0.211 173 HB3 SER 21 HB3 SER 21 -11.081 -14.873 0.057 174 HG SER 21 HG SER 21 -10.052 -14.257 -1.868 175 H GLU 22 H GLU 22 -8.095 -16.550 1.240 176 HA GLU 22 HA GLU 22 -5.610 -15.644 2.208 177 HB2 GLU 22 HB2 GLU 22 -6.623 -18.113 0.926 178 HB3 GLU 22 HB3 GLU 22 -4.886 -17.849 0.846 179 HG2 GLU 22 HG2 GLU 22 -5.676 -19.218 2.781 180 HG3 GLU 22 HG3 GLU 22 -4.681 -17.824 3.195 181 H SER 23 H SER 23 -6.852 -15.978 -1.080 182 HA SER 23 HA SER 23 -4.484 -15.340 -2.437 183 HB2 SER 23 HB2 SER 23 -7.341 -14.704 -3.220 184 HB3 SER 23 HB3 SER 23 -5.954 -14.732 -4.311 185 HG SER 23 HG SER 23 -7.030 -16.700 -4.443 186 H THR 24 H THR 24 -6.950 -13.328 -0.928 187 HA THR 24 HA THR 24 -5.894 -10.840 -1.827 188 HB THR 24 HB THR 24 -7.538 -11.224 0.674 189 HG1 THR 24 HG1 THR 24 -8.665 -12.321 -0.943 190 HG21 THR 24 HG21 THR 24 -7.335 -8.990 -1.353 191 HG22 THR 24 HG22 THR 24 -6.687 -8.976 0.290 192 HG23 THR 24 HG23 THR 24 -8.431 -9.014 0.029 193 H LYS 25 H LYS 25 -5.427 -12.885 1.009 194 HA LYS 25 HA LYS 25 -3.804 -11.260 2.580 195 HB2 LYS 25 HB2 LYS 25 -3.486 -14.238 2.099 196 HB3 LYS 25 HB3 LYS 25 -2.841 -13.343 3.465 197 HG2 LYS 25 HG2 LYS 25 -5.757 -13.156 3.050 198 HG3 LYS 25 HG3 LYS 25 -5.131 -14.729 3.543 199 HD2 LYS 25 HD2 LYS 25 -4.436 -12.180 4.977 200 HD3 LYS 25 HD3 LYS 25 -5.846 -13.152 5.398 201 HE2 LYS 25 HE2 LYS 25 -3.004 -14.163 5.364 202 HE3 LYS 25 HE3 LYS 25 -3.864 -13.627 6.808 203 HZ1 LYS 25 HZ1 LYS 25 -5.535 -15.368 6.347 204 HZ2 LYS 25 HZ2 LYS 25 -3.994 -15.996 6.665 205 HZ3 LYS 25 HZ3 LYS 25 -4.575 -15.934 5.074 206 H ARG 26 H ARG 26 -2.939 -13.419 -0.093 207 HA ARG 26 HA ARG 26 -0.186 -12.972 -0.148 208 HB2 ARG 26 HB2 ARG 26 -2.096 -13.619 -2.398 209 HB3 ARG 26 HB3 ARG 26 -0.347 -13.650 -2.560 210 HG2 ARG 26 HG2 ARG 26 -1.887 -15.328 -0.597 211 HG3 ARG 26 HG3 ARG 26 -1.386 -15.873 -2.198 212 HD2 ARG 26 HD2 ARG 26 0.425 -14.986 0.047 213 HD3 ARG 26 HD3 ARG 26 0.186 -16.642 -0.514 214 HE ARG 26 HE ARG 26 1.417 -14.512 -2.153 215 HH11 ARG 26 HH11 ARG 26 1.216 -17.839 -1.098 216 HH12 ARG 26 HH12 ARG 26 2.489 -18.388 -2.142 217 HH21 ARG 26 HH21 ARG 26 3.106 -15.214 -3.518 218 HH22 ARG 26 HH22 ARG 26 3.599 -16.881 -3.495 219 H HIS 27 H HIS 27 -2.807 -11.191 -1.739 220 HA HIS 27 HA HIS 27 -1.186 -9.424 -3.206 221 HB2 HIS 27 HB2 HIS 27 -4.014 -9.273 -2.218 222 HB3 HIS 27 HB3 HIS 27 -3.268 -7.876 -2.984 223 HD2 HIS 27 HD2 HIS 27 -4.797 -11.297 -3.896 224 HE1 HIS 27 HE1 HIS 27 -3.520 -9.396 -7.455 225 HE2 HIS 27 HE2 HIS 27 -4.697 -11.427 -6.489 226 H TYR 28 H TYR 28 -2.633 -9.083 0.029 227 HA TYR 28 HA TYR 28 -1.555 -6.515 0.511 228 HB2 TYR 28 HB2 TYR 28 -2.679 -8.660 2.267 229 HB3 TYR 28 HB3 TYR 28 -1.877 -7.271 2.990 230 HD1 TYR 28 HD1 TYR 28 -2.819 -5.019 2.722 231 HD2 TYR 28 HD2 TYR 28 -4.848 -8.451 1.243 232 HE1 TYR 28 HE1 TYR 28 -4.895 -3.715 2.566 233 HE2 TYR 28 HE2 TYR 28 -6.930 -7.154 1.077 234 HH TYR 28 HH TYR 28 -7.020 -3.758 1.353 235 H GLU 29 H GLU 29 -0.326 -9.778 1.162 236 HA GLU 29 HA GLU 29 2.030 -9.112 2.494 237 HB2 GLU 29 HB2 GLU 29 1.460 -11.290 0.482 238 HB3 GLU 29 HB3 GLU 29 3.004 -11.146 1.305 239 HG2 GLU 29 HG2 GLU 29 1.862 -11.412 3.459 240 HG3 GLU 29 HG3 GLU 29 0.330 -11.607 2.602 241 H SER 30 H SER 30 1.475 -9.490 -0.987 242 HA SER 30 HA SER 30 3.994 -8.780 -1.904 243 HB2 SER 30 HB2 SER 30 2.131 -9.761 -3.272 244 HB3 SER 30 HB3 SER 30 1.360 -8.176 -3.276 245 HG SER 30 HG SER 30 2.699 -8.680 -5.150 246 H ALA 31 H ALA 31 1.149 -6.727 -1.369 247 HA ALA 31 HA ALA 31 2.236 -4.281 -2.127 248 HB1 ALA 31 HB1 ALA 31 0.475 -3.265 -0.813 249 HB2 ALA 31 HB2 ALA 31 0.230 -4.771 0.072 250 HB3 ALA 31 HB3 ALA 31 -0.150 -4.687 -1.648 251 H TYR 32 H TYR 32 2.031 -5.663 1.151 252 HA TYR 32 HA TYR 32 3.351 -3.615 2.498 253 HB2 TYR 32 HB2 TYR 32 2.096 -5.212 3.741 254 HB3 TYR 32 HB3 TYR 32 3.040 -6.554 3.104 255 HD1 TYR 32 HD2 TYR 32 3.704 -3.362 4.958 256 HD2 TYR 32 HD1 TYR 32 4.477 -7.532 4.594 257 HE1 TYR 32 HE2 TYR 32 5.192 -3.253 6.913 258 HE2 TYR 32 HE1 TYR 32 5.968 -7.430 6.544 259 HH TYR 32 HH TYR 32 6.093 -4.766 8.641 260 H LYS 33 H LYS 33 4.689 -6.562 1.032 261 HA LYS 33 HA LYS 33 7.319 -6.146 2.032 262 HB2 LYS 33 HB2 LYS 33 6.420 -7.815 -0.317 263 HB3 LYS 33 HB3 LYS 33 7.979 -7.929 0.497 264 HG2 LYS 33 HG2 LYS 33 6.865 -8.548 2.554 265 HG3 LYS 33 HG3 LYS 33 5.307 -8.429 1.748 266 HD2 LYS 33 HD2 LYS 33 5.890 -10.738 1.836 267 HD3 LYS 33 HD3 LYS 33 6.086 -10.205 0.166 268 HE2 LYS 33 HE2 LYS 33 8.444 -10.123 0.376 269 HE3 LYS 33 HE3 LYS 33 8.362 -10.299 2.128 270 HZ1 LYS 33 HZ1 LYS 33 7.558 -12.370 0.157 271 HZ2 LYS 33 HZ2 LYS 33 7.518 -12.533 1.846 272 HZ3 LYS 33 HZ3 LYS 33 9.001 -12.362 1.047 273 H HIS 34 H HIS 34 5.705 -5.291 -0.990 274 HA HIS 34 HA HIS 34 8.117 -4.339 -2.147 275 HB2 HIS 34 HB2 HIS 34 5.227 -4.086 -2.907 276 HB3 HIS 34 HB3 HIS 34 6.442 -3.124 -3.741 277 HD1 HIS 34 HD1 HIS 34 8.472 -4.669 -4.839 278 HD2 HIS 34 HD2 HIS 34 4.871 -6.545 -3.938 279 HE1 HIS 34 HE1 HIS 34 8.425 -6.808 -6.184 280 H ILE 35 H ILE 35 5.499 -2.918 -0.300 281 HA ILE 35 HA ILE 35 6.258 -0.221 -0.521 282 HB ILE 35 HB ILE 35 4.793 -1.711 1.648 283 HG12 ILE 35 HG12 ILE 35 3.884 0.376 -0.352 284 HG13 ILE 35 HG13 ILE 35 3.678 -1.362 -0.545 285 HG21 ILE 35 HG21 ILE 35 5.984 0.123 2.714 286 HG22 ILE 35 HG22 ILE 35 4.252 0.455 2.662 287 HG23 ILE 35 HG23 ILE 35 5.339 1.254 1.524 288 HD11 ILE 35 HD11 ILE 35 2.475 0.314 1.643 289 HD12 ILE 35 HD12 ILE 35 2.258 -1.424 1.429 290 HD13 ILE 35 HD13 ILE 35 1.631 -0.300 0.221 291 H LYS 36 H LYS 36 7.116 -2.666 1.938 292 HA LYS 36 HA LYS 36 8.728 -0.914 3.451 293 HB2 LYS 36 HB2 LYS 36 9.453 -2.826 4.677 294 HB3 LYS 36 HB3 LYS 36 7.762 -3.070 4.281 295 HG2 LYS 36 HG2 LYS 36 8.522 -4.495 2.363 296 HG3 LYS 36 HG3 LYS 36 10.153 -4.383 3.025 297 HD2 LYS 36 HD2 LYS 36 7.727 -5.510 4.421 298 HD3 LYS 36 HD3 LYS 36 9.072 -6.434 3.756 299 HE2 LYS 36 HE2 LYS 36 9.278 -4.414 5.990 300 HE3 LYS 36 HE3 LYS 36 9.208 -6.161 6.207 301 HZ1 LYS 36 HZ1 LYS 36 11.360 -4.592 4.900 302 HZ2 LYS 36 HZ2 LYS 36 11.256 -6.282 4.809 303 HZ3 LYS 36 HZ3 LYS 36 11.468 -5.528 6.311 304 H ASP 37 H ASP 37 9.368 -2.785 0.599 305 HA ASP 37 HA ASP 37 12.219 -2.607 0.699 306 HB2 ASP 37 HB2 ASP 37 11.294 -4.315 -0.679 307 HB3 ASP 37 HB3 ASP 37 10.248 -3.175 -1.520 308 H HIS 38 H HIS 38 9.730 -0.746 -1.051 309 HA HIS 38 HA HIS 38 11.685 1.062 -2.140 310 HB2 HIS 38 HB2 HIS 38 8.673 1.032 -2.147 311 HB3 HIS 38 HB3 HIS 38 9.585 2.392 -2.791 312 HD1 HIS 38 HD1 HIS 38 10.130 2.237 -5.211 313 HD2 HIS 38 HD2 HIS 38 9.453 -1.503 -3.512 314 HE1 HIS 38 HE1 HIS 38 10.233 0.594 -7.109 315 HE2 HIS 38 HE2 HIS 38 10.039 -1.669 -6.024 316 H PHE 39 H PHE 39 9.509 1.032 0.582 317 HA PHE 39 HA PHE 39 10.677 3.580 1.486 318 HB2 PHE 39 HB2 PHE 39 7.926 2.505 2.157 319 HB3 PHE 39 HB3 PHE 39 8.596 4.056 2.654 320 HD1 PHE 39 HD1 PHE 39 9.276 5.674 0.744 321 HD2 PHE 39 HD2 PHE 39 6.632 2.373 0.246 322 HE1 PHE 39 HE1 PHE 39 8.363 6.718 -1.289 323 HE2 PHE 39 HE2 PHE 39 5.716 3.411 -1.789 324 HZ PHE 39 HZ PHE 39 6.582 5.583 -2.560 325 H ARG 40 H ARG 40 12.298 2.720 2.685 326 HA ARG 40 HA ARG 40 12.000 0.336 4.224 327 HB2 ARG 40 HB2 ARG 40 14.218 2.387 4.155 328 HB3 ARG 40 HB3 ARG 40 14.309 0.840 4.988 329 HG2 ARG 40 HG2 ARG 40 13.809 1.117 2.032 330 HG3 ARG 40 HG3 ARG 40 15.406 0.899 2.739 331 HD2 ARG 40 HD2 ARG 40 14.763 -1.224 3.664 332 HD3 ARG 40 HD3 ARG 40 13.100 -0.994 3.124 333 HE ARG 40 HE ARG 40 14.434 -0.857 0.817 334 HH11 ARG 40 HH11 ARG 40 14.682 -3.141 3.463 335 HH12 ARG 40 HH12 ARG 40 15.062 -4.486 2.425 336 HH21 ARG 40 HH21 ARG 40 14.955 -2.618 -0.534 337 HH22 ARG 40 HH22 ARG 40 15.230 -4.179 0.165 338 H HIS 41 H HIS 41 12.581 3.734 5.176 339 HA HIS 41 HA HIS 41 11.203 3.144 7.710 340 HB2 HIS 41 HB2 HIS 41 13.827 4.563 7.316 341 HB3 HIS 41 HB3 HIS 41 12.825 4.884 8.729 342 HD1 HIS 41 HD1 HIS 41 15.718 3.409 8.591 343 HD2 HIS 41 HD2 HIS 41 11.995 1.664 9.202 344 HE1 HIS 41 HE1 HIS 41 16.170 1.266 9.834 345 HE2 HIS 41 HE2 HIS 41 13.882 0.325 10.352 346 H LYS 42 H LYS 42 10.473 4.374 5.123 347 HA LYS 42 HA LYS 42 10.151 7.168 5.425 348 HB2 LYS 42 HB2 LYS 42 9.752 5.354 3.411 349 HB3 LYS 42 HB3 LYS 42 8.100 5.720 3.881 350 HG2 LYS 42 HG2 LYS 42 8.780 7.144 2.064 351 HG3 LYS 42 HG3 LYS 42 8.542 8.107 3.523 352 HD2 LYS 42 HD2 LYS 42 10.805 8.480 3.807 353 HD3 LYS 42 HD3 LYS 42 11.261 7.055 2.870 354 HE2 LYS 42 HE2 LYS 42 11.733 9.195 1.721 355 HE3 LYS 42 HE3 LYS 42 10.650 8.139 0.824 356 HZ1 LYS 42 HZ1 LYS 42 9.913 10.437 0.776 357 HZ2 LYS 42 HZ2 LYS 42 9.812 10.463 2.474 358 HZ3 LYS 42 HZ3 LYS 42 8.785 9.464 1.574 359 H LEU 43 H LEU 43 8.712 8.282 6.617 360 HA LEU 43 HA LEU 43 6.922 6.936 8.368 361 HB2 LEU 43 HB2 LEU 43 7.216 9.858 7.683 362 HB3 LEU 43 HB3 LEU 43 6.139 9.250 8.924 363 HG LEU 43 HG LEU 43 9.147 8.986 8.924 364 HD11 LEU 43 HD11 LEU 43 7.312 10.680 10.615 365 HD12 LEU 43 HD12 LEU 43 8.374 11.269 9.334 366 HD13 LEU 43 HD13 LEU 43 9.063 10.550 10.790 367 HD21 LEU 43 HD21 LEU 43 8.070 7.081 9.999 368 HD22 LEU 43 HD22 LEU 43 7.102 8.175 10.989 369 HD23 LEU 43 HD23 LEU 43 8.853 8.116 11.194 370 H LEU 44 H LEU 44 4.607 7.354 8.496 371 HA LEU 44 HA LEU 44 3.291 6.548 6.166 372 HB2 LEU 44 HB2 LEU 44 2.512 6.140 8.466 373 HB3 LEU 44 HB3 LEU 44 2.173 7.844 8.658 374 HG LEU 44 HG LEU 44 0.218 6.231 8.229 375 HD11 LEU 44 HD11 LEU 44 -1.011 7.890 6.947 376 HD12 LEU 44 HD12 LEU 44 0.503 8.688 6.520 377 HD13 LEU 44 HD13 LEU 44 -0.027 8.645 8.201 378 HD21 LEU 44 HD21 LEU 44 -0.295 5.777 5.899 379 HD22 LEU 44 HD22 LEU 44 1.235 5.031 6.359 380 HD23 LEU 44 HD23 LEU 44 1.230 6.515 5.407 381 H LYS 45 H LYS 45 3.854 9.718 7.523 382 HA LYS 45 HA LYS 45 2.164 10.932 5.475 383 HB2 LYS 45 HB2 LYS 45 2.441 13.006 6.802 384 HB3 LYS 45 HB3 LYS 45 1.730 11.689 7.721 385 HG2 LYS 45 HG2 LYS 45 3.225 12.462 9.251 386 HG3 LYS 45 HG3 LYS 45 4.239 11.282 8.423 387 HD2 LYS 45 HD2 LYS 45 5.274 12.990 7.107 388 HD3 LYS 45 HD3 LYS 45 4.142 14.207 7.700 389 HE2 LYS 45 HE2 LYS 45 5.042 13.971 9.943 390 HE3 LYS 45 HE3 LYS 45 6.144 12.715 9.387 391 HZ1 LYS 45 HZ1 LYS 45 6.151 15.500 8.359 392 HZ2 LYS 45 HZ2 LYS 45 7.294 14.287 8.036 393 HZ3 LYS 45 HZ3 LYS 45 7.170 14.942 9.591 394 H ASP 46 H ASP 46 5.157 9.854 5.422 395 HA ASP 46 HA ASP 46 6.405 12.317 4.416 396 HB2 ASP 46 HB2 ASP 46 7.581 10.877 6.168 397 HB3 ASP 46 HB3 ASP 46 7.806 9.683 4.890 398 H ILE 47 H ILE 47 4.649 9.840 3.234 399 HA ILE 47 HA ILE 47 6.180 9.158 0.912 400 HB ILE 47 HB ILE 47 3.195 8.851 1.233 401 HG12 ILE 47 HG12 ILE 47 4.323 7.849 3.174 402 HG13 ILE 47 HG13 ILE 47 3.637 6.609 2.128 403 HG21 ILE 47 HG21 ILE 47 4.048 8.507 -1.022 404 HG22 ILE 47 HG22 ILE 47 3.493 6.985 -0.327 405 HG23 ILE 47 HG23 ILE 47 5.219 7.336 -0.415 406 HD11 ILE 47 HD11 ILE 47 6.533 7.427 2.214 407 HD12 ILE 47 HD12 ILE 47 5.838 6.169 1.193 408 HD13 ILE 47 HD13 ILE 47 5.839 5.979 2.946 409 H LYS 48 H LYS 48 6.565 10.529 -0.680 410 HA LYS 48 HA LYS 48 4.862 12.850 -1.061 411 HB2 LYS 48 HB2 LYS 48 7.362 12.005 -2.534 412 HB3 LYS 48 HB3 LYS 48 6.561 13.564 -2.672 413 HG2 LYS 48 HG2 LYS 48 7.074 14.069 -0.361 414 HG3 LYS 48 HG3 LYS 48 7.790 12.473 -0.150 415 HD2 LYS 48 HD2 LYS 48 9.441 13.046 -1.921 416 HD3 LYS 48 HD3 LYS 48 8.775 14.680 -1.944 417 HE2 LYS 48 HE2 LYS 48 9.351 14.947 0.416 418 HE3 LYS 48 HE3 LYS 48 10.018 13.313 0.439 419 HZ1 LYS 48 HZ1 LYS 48 11.786 14.881 0.168 420 HZ2 LYS 48 HZ2 LYS 48 11.011 15.612 -1.155 421 HZ3 LYS 48 HZ3 LYS 48 11.601 14.028 -1.289 422 H ARG 49 H ARG 49 4.551 13.471 -3.472 423 HA ARG 49 HA ARG 49 2.681 11.605 -4.525 424 HB2 ARG 49 HB2 ARG 49 3.673 14.312 -5.237 425 HB3 ARG 49 HB3 ARG 49 2.935 13.377 -6.528 426 HG2 ARG 49 HG2 ARG 49 1.387 14.921 -5.353 427 HG3 ARG 49 HG3 ARG 49 0.871 13.237 -5.351 428 HD2 ARG 49 HD2 ARG 49 0.504 14.287 -3.181 429 HD3 ARG 49 HD3 ARG 49 1.672 12.974 -3.074 430 HE ARG 49 HE ARG 49 2.997 15.464 -3.440 431 HH11 ARG 49 HH11 ARG 49 1.214 13.638 -1.045 432 HH12 ARG 49 HH12 ARG 49 2.113 14.260 0.303 433 HH21 ARG 49 HH21 ARG 49 4.164 16.340 -1.652 434 HH22 ARG 49 HH22 ARG 49 3.771 15.809 -0.044 435 H THR 50 H THR 50 5.843 12.778 -5.640 436 HA THR 50 HA THR 50 5.813 11.199 -8.005 437 HB THR 50 HB THR 50 8.304 11.795 -8.028 438 HG1 THR 50 HG1 THR 50 8.772 13.574 -6.568 439 HG21 THR 50 HG21 THR 50 6.595 12.989 -9.314 440 HG22 THR 50 HG22 THR 50 7.811 14.105 -8.691 441 HG23 THR 50 HG23 THR 50 6.233 13.994 -7.911 442 H GLU 51 H GLU 51 7.069 10.711 -4.761 443 HA GLU 51 HA GLU 51 8.600 8.405 -5.278 444 HB2 GLU 51 HB2 GLU 51 7.053 9.086 -2.769 445 HB3 GLU 51 HB3 GLU 51 8.360 7.917 -2.889 446 HG2 GLU 51 HG2 GLU 51 9.930 9.698 -3.401 447 HG3 GLU 51 HG3 GLU 51 8.622 10.881 -3.344 448 H TYR 52 H TYR 52 5.249 8.860 -4.276 449 HA TYR 52 HA TYR 52 4.437 6.190 -4.187 450 HB2 TYR 52 HB2 TYR 52 3.196 8.221 -3.349 451 HB3 TYR 52 HB3 TYR 52 2.764 8.571 -5.018 452 HD1 TYR 52 HD1 TYR 52 2.575 5.778 -2.551 453 HD2 TYR 52 HD2 TYR 52 0.710 7.822 -5.781 454 HE1 TYR 52 HE1 TYR 52 0.581 4.371 -2.282 455 HE2 TYR 52 HE2 TYR 52 -1.292 6.415 -5.522 456 HH TYR 52 HH TYR 52 -2.002 4.355 -4.582 457 H GLN 53 H GLN 53 4.372 8.547 -6.828 458 HA GLN 53 HA GLN 53 3.211 6.906 -8.778 459 HB2 GLN 53 HB2 GLN 53 3.501 9.381 -8.942 460 HB3 GLN 53 HB3 GLN 53 5.220 9.124 -9.210 461 HG2 GLN 53 HG2 GLN 53 4.034 9.527 -11.297 462 HG3 GLN 53 HG3 GLN 53 4.745 7.913 -11.258 463 HE21 GLN 53 HE21 GLN 53 3.422 6.127 -11.198 464 HE22 GLN 53 HE22 GLN 53 1.712 6.217 -11.466 465 H LYS 54 H LYS 54 6.614 7.449 -7.910 466 HA LYS 54 HA LYS 54 7.739 5.852 -9.952 467 HB2 LYS 54 HB2 LYS 54 8.673 7.240 -7.589 468 HB3 LYS 54 HB3 LYS 54 9.457 5.676 -7.744 469 HG2 LYS 54 HG2 LYS 54 10.877 7.131 -8.861 470 HG3 LYS 54 HG3 LYS 54 9.956 6.370 -10.155 471 HD2 LYS 54 HD2 LYS 54 9.208 9.032 -8.962 472 HD3 LYS 54 HD3 LYS 54 10.306 8.877 -10.331 473 HE2 LYS 54 HE2 LYS 54 8.487 7.646 -11.535 474 HE3 LYS 54 HE3 LYS 54 7.409 8.049 -10.198 475 HZ1 LYS 54 HZ1 LYS 54 8.800 9.968 -11.992 476 HZ2 LYS 54 HZ2 LYS 54 7.868 10.412 -10.652 477 HZ3 LYS 54 HZ3 LYS 54 7.137 9.637 -11.968 478 H PHE 55 H PHE 55 6.671 5.132 -6.675 479 HA PHE 55 HA PHE 55 7.505 2.472 -6.498 480 HB2 PHE 55 HB2 PHE 55 6.710 3.632 -4.547 481 HB3 PHE 55 HB3 PHE 55 5.135 3.902 -5.282 482 HD1 PHE 55 HD1 PHE 55 7.393 1.103 -4.307 483 HD2 PHE 55 HD2 PHE 55 3.402 2.518 -4.696 484 HE1 PHE 55 HE1 PHE 55 6.561 -0.966 -3.270 485 HE2 PHE 55 HE2 PHE 55 2.563 0.452 -3.662 486 HZ PHE 55 HZ PHE 55 4.145 -1.295 -2.948 487 H LEU 56 H LEU 56 4.450 3.834 -7.694 488 HA LEU 56 HA LEU 56 3.244 1.377 -8.371 489 HB2 LEU 56 HB2 LEU 56 2.810 4.125 -9.549 490 HB3 LEU 56 HB3 LEU 56 1.756 2.747 -9.802 491 HG LEU 56 HG LEU 56 2.286 4.071 -7.140 492 HD11 LEU 56 HD11 LEU 56 -0.138 4.161 -8.931 493 HD12 LEU 56 HD12 LEU 56 0.988 5.488 -8.643 494 HD13 LEU 56 HD13 LEU 56 -0.010 4.877 -7.325 495 HD21 LEU 56 HD21 LEU 56 1.809 1.679 -6.940 496 HD22 LEU 56 HD22 LEU 56 0.343 1.891 -7.897 497 HD23 LEU 56 HD23 LEU 56 0.481 2.657 -6.315 498 H ASN 57 H ASN 57 5.201 3.652 -10.246 499 HA ASN 57 HA ASN 57 4.985 2.396 -12.736 500 HB2 ASN 57 HB2 ASN 57 7.108 4.161 -11.537 501 HB3 ASN 57 HB3 ASN 57 7.264 3.515 -13.167 502 HD21 ASN 57 HD21 ASN 57 7.224 5.621 -13.989 503 HD22 ASN 57 HD22 ASN 57 5.751 6.523 -14.116 504 H GLU 58 H GLU 58 7.383 1.925 -10.152 505 HA GLU 58 HA GLU 58 8.864 -0.024 -11.633 506 HB2 GLU 58 HB2 GLU 58 8.864 0.680 -8.695 507 HB3 GLU 58 HB3 GLU 58 9.967 -0.479 -9.423 508 HG2 GLU 58 HG2 GLU 58 10.825 1.297 -10.893 509 HG3 GLU 58 HG3 GLU 58 9.761 2.447 -10.086 510 H TYR 59 H TYR 59 6.072 -0.132 -9.598 511 HA TYR 59 HA TYR 59 6.208 -2.952 -9.062 512 HB2 TYR 59 HB2 TYR 59 4.997 -1.325 -7.603 513 HB3 TYR 59 HB3 TYR 59 3.819 -1.100 -8.891 514 HD1 TYR 59 HD2 TYR 59 5.122 -3.463 -6.390 515 HD2 TYR 59 HD1 TYR 59 2.113 -2.744 -9.310 516 HE1 TYR 59 HE2 TYR 59 3.829 -5.363 -5.518 517 HE2 TYR 59 HE1 TYR 59 0.809 -4.639 -8.441 518 HH TYR 59 HH TYR 59 1.496 -6.139 -5.479 519 H GLY 60 H GLY 60 4.616 -0.862 -11.404 520 HA2 GLY 60 HA2 GLY 60 3.105 -2.996 -12.606 521 HA3 GLY 60 HA3 GLY 60 3.247 -1.349 -13.200 522 H LEU 61 H LEU 61 6.321 -2.424 -12.694 523 HA LEU 61 HA LEU 61 6.729 -2.993 -15.509 524 HB2 LEU 61 HB2 LEU 61 8.647 -2.788 -13.183 525 HB3 LEU 61 HB3 LEU 61 9.145 -3.146 -14.825 526 HG LEU 61 HG LEU 61 7.776 -0.601 -13.949 527 HD11 LEU 61 HD11 LEU 61 10.662 -1.138 -14.645 528 HD12 LEU 61 HD12 LEU 61 10.030 -0.793 -13.035 529 HD13 LEU 61 HD13 LEU 61 9.957 0.440 -14.293 530 HD21 LEU 61 HD21 LEU 61 7.313 -1.214 -16.271 531 HD22 LEU 61 HD22 LEU 61 9.042 -1.368 -16.577 532 HD23 LEU 61 HD23 LEU 61 8.355 0.205 -16.174 533 H THR 62 H THR 62 6.194 -4.735 -12.631 534 HA THR 62 HA THR 62 7.093 -7.220 -13.942 535 HB THR 62 HB THR 62 7.615 -8.065 -11.612 536 HG1 THR 62 HG1 THR 62 7.991 -6.385 -10.047 537 HG21 THR 62 HG21 THR 62 9.397 -7.409 -13.150 538 HG22 THR 62 HG22 THR 62 9.806 -6.945 -11.497 539 HG23 THR 62 HG23 THR 62 9.234 -5.729 -12.640 540 H HIS 63 H HIS 63 4.428 -5.639 -13.184 541 HA HIS 63 HA HIS 63 2.980 -8.055 -12.373 542 HB2 HIS 63 HB2 HIS 63 2.765 -5.351 -11.055 543 HB3 HIS 63 HB3 HIS 63 1.557 -6.616 -10.861 544 HD1 HIS 63 HD1 HIS 63 5.066 -5.706 -9.914 545 HD2 HIS 63 HD2 HIS 63 2.278 -8.693 -9.154 546 HE1 HIS 63 HE1 HIS 63 5.974 -6.996 -7.957 547 HE2 HIS 63 HE2 HIS 63 4.180 -8.678 -7.406 548 H SER 64 H SER 64 0.799 -8.125 -12.997 549 HA SER 64 HA SER 64 0.211 -6.731 -15.417 550 HB2 SER 64 HB2 SER 64 -1.531 -8.534 -13.721 551 HB3 SER 64 HB3 SER 64 -1.917 -7.985 -15.350 552 HG SER 64 HG SER 64 -0.422 -9.281 -16.176 553 H TYR 65 H TYR 65 -2.068 -5.735 -15.678 554 HA TYR 65 HA TYR 65 -1.932 -3.308 -14.261 555 HB2 TYR 65 HB2 TYR 65 -2.745 -3.395 -16.546 556 HB3 TYR 65 HB3 TYR 65 -4.121 -4.375 -16.049 557 HD1 TYR 65 HD2 TYR 65 -2.536 -1.082 -15.224 558 HD2 TYR 65 HD1 TYR 65 -6.137 -3.303 -15.711 559 HE1 TYR 65 HE2 TYR 65 -3.844 0.956 -14.802 560 HE2 TYR 65 HE1 TYR 65 -7.450 -1.269 -15.288 561 HH TYR 65 HH TYR 65 -6.105 1.827 -15.326 562 H GLU 66 H GLU 66 -4.253 -6.011 -13.982 563 HA GLU 66 HA GLU 66 -5.898 -4.667 -12.113 564 HB2 GLU 66 HB2 GLU 66 -5.537 -7.589 -12.733 565 HB3 GLU 66 HB3 GLU 66 -6.666 -7.018 -11.511 566 HG2 GLU 66 HG2 GLU 66 -7.755 -5.630 -13.259 567 HG3 GLU 66 HG3 GLU 66 -6.704 -6.396 -14.452 568 H THR 67 H THR 67 -2.992 -6.574 -11.760 569 HA THR 67 HA THR 67 -3.168 -6.997 -8.976 570 HB THR 67 HB THR 67 -0.679 -6.832 -10.685 571 HG1 THR 67 HG1 THR 67 -2.314 -8.394 -11.369 572 HG21 THR 67 HG21 THR 67 -1.180 -8.182 -8.030 573 HG22 THR 67 HG22 THR 67 -0.195 -6.743 -8.291 574 HG23 THR 67 HG23 THR 67 0.306 -8.290 -8.973 575 H ILE 68 H ILE 68 -1.609 -4.428 -10.904 576 HA ILE 68 HA ILE 68 -0.635 -3.040 -8.620 577 HB ILE 68 HB ILE 68 0.358 -2.706 -10.863 578 HG12 ILE 68 HG12 ILE 68 -0.731 -0.190 -9.582 579 HG13 ILE 68 HG13 ILE 68 0.720 -1.056 -9.083 580 HG21 ILE 68 HG21 ILE 68 -1.684 -2.683 -12.194 581 HG22 ILE 68 HG22 ILE 68 -0.713 -1.241 -12.486 582 HG23 ILE 68 HG23 ILE 68 -2.147 -1.146 -11.465 583 HD11 ILE 68 HD11 ILE 68 0.307 0.288 -11.744 584 HD12 ILE 68 HD12 ILE 68 1.771 -0.541 -11.213 585 HD13 ILE 68 HD13 ILE 68 1.242 0.929 -10.394 586 H ARG 69 H ARG 69 -3.632 -2.944 -10.457 587 HA ARG 69 HA ARG 69 -4.809 -0.682 -9.327 588 HB2 ARG 69 HB2 ARG 69 -6.025 -3.272 -10.263 589 HB3 ARG 69 HB3 ARG 69 -7.001 -1.941 -9.664 590 HG2 ARG 69 HG2 ARG 69 -5.849 -0.525 -11.432 591 HG3 ARG 69 HG3 ARG 69 -5.303 -2.057 -12.123 592 HD2 ARG 69 HD2 ARG 69 -7.357 -1.336 -13.194 593 HD3 ARG 69 HD3 ARG 69 -7.639 -2.806 -12.261 594 HE ARG 69 HE ARG 69 -8.399 -1.071 -10.472 595 HH11 ARG 69 HH11 ARG 69 -8.997 -0.982 -13.913 596 HH12 ARG 69 HH12 ARG 69 -10.443 -0.030 -13.769 597 HH21 ARG 69 HH21 ARG 69 -10.278 0.173 -10.268 598 HH22 ARG 69 HH22 ARG 69 -11.173 0.638 -11.683 599 H LYS 70 H LYS 70 -4.909 -4.061 -8.185 600 HA LYS 70 HA LYS 70 -6.359 -3.654 -5.845 601 HB2 LYS 70 HB2 LYS 70 -4.375 -5.672 -6.744 602 HB3 LYS 70 HB3 LYS 70 -4.662 -5.577 -5.014 603 HG2 LYS 70 HG2 LYS 70 -6.113 -7.240 -5.815 604 HG3 LYS 70 HG3 LYS 70 -7.127 -5.825 -5.538 605 HD2 LYS 70 HD2 LYS 70 -7.075 -5.304 -7.914 606 HD3 LYS 70 HD3 LYS 70 -6.011 -6.682 -8.207 607 HE2 LYS 70 HE2 LYS 70 -7.817 -8.141 -7.242 608 HE3 LYS 70 HE3 LYS 70 -8.868 -6.728 -7.257 609 HZ1 LYS 70 HZ1 LYS 70 -7.597 -8.020 -9.606 610 HZ2 LYS 70 HZ2 LYS 70 -8.479 -6.572 -9.671 611 HZ3 LYS 70 HZ3 LYS 70 -9.249 -8.012 -9.216 612 H LEU 71 H LEU 71 -2.858 -3.482 -6.350 613 HA LEU 71 HA LEU 71 -2.012 -2.906 -3.788 614 HB2 LEU 71 HB2 LEU 71 -0.432 -3.331 -5.539 615 HB3 LEU 71 HB3 LEU 71 -0.976 -1.937 -6.451 616 HG LEU 71 HG LEU 71 -0.124 -0.504 -4.547 617 HD11 LEU 71 HD11 LEU 71 -0.038 -2.279 -2.859 618 HD12 LEU 71 HD12 LEU 71 1.513 -1.462 -3.053 619 HD13 LEU 71 HD13 LEU 71 1.261 -3.058 -3.762 620 HD21 LEU 71 HD21 LEU 71 1.890 -2.181 -6.032 621 HD22 LEU 71 HD22 LEU 71 2.174 -0.592 -5.318 622 HD23 LEU 71 HD23 LEU 71 1.058 -0.764 -6.673 623 H ASN 72 H ASN 72 -2.787 -0.527 -6.329 624 HA ASN 72 HA ASN 72 -2.444 1.781 -4.796 625 HB2 ASN 72 HB2 ASN 72 -2.664 1.725 -7.272 626 HB3 ASN 72 HB3 ASN 72 -4.379 1.375 -7.090 627 HD21 ASN 72 HD21 ASN 72 -5.099 3.209 -8.085 628 HD22 ASN 72 HD22 ASN 72 -4.901 4.791 -7.424 629 H SER 73 H SER 73 -5.252 -0.286 -5.232 630 HA SER 73 HA SER 73 -7.175 1.342 -4.008 631 HB2 SER 73 HB2 SER 73 -7.073 -1.682 -4.070 632 HB3 SER 73 HB3 SER 73 -8.505 -0.698 -3.773 633 HG SER 73 HG SER 73 -6.958 -0.778 -6.161 634 H TYR 74 H TYR 74 -4.954 -1.059 -2.639 635 HA TYR 74 HA TYR 74 -6.074 -1.044 -0.031 636 HB2 TYR 74 HB2 TYR 74 -3.226 -1.721 -0.791 637 HB3 TYR 74 HB3 TYR 74 -4.064 -2.203 0.676 638 HD1 TYR 74 HD1 TYR 74 -6.702 -2.988 -0.662 639 HD2 TYR 74 HD2 TYR 74 -2.644 -3.851 -1.596 640 HE1 TYR 74 HE1 TYR 74 -7.403 -5.082 -1.746 641 HE2 TYR 74 HE2 TYR 74 -3.331 -5.935 -2.691 642 HH TYR 74 HH TYR 74 -5.189 -7.510 -2.640 643 H ILE 75 H ILE 75 -3.289 0.607 -1.466 644 HA ILE 75 HA ILE 75 -2.403 1.844 0.901 645 HB ILE 75 HB ILE 75 -1.983 2.770 -1.943 646 HG12 ILE 75 HG12 ILE 75 -0.293 0.958 -0.200 647 HG13 ILE 75 HG13 ILE 75 -1.274 0.429 -1.564 648 HG21 ILE 75 HG21 ILE 75 0.021 3.857 -1.035 649 HG22 ILE 75 HG22 ILE 75 -0.455 3.356 0.588 650 HG23 ILE 75 HG23 ILE 75 -1.458 4.491 -0.316 651 HD11 ILE 75 HD11 ILE 75 1.049 0.575 -2.193 652 HD12 ILE 75 HD12 ILE 75 1.110 2.262 -1.688 653 HD13 ILE 75 HD13 ILE 75 0.112 1.788 -3.064 654 H ARG 76 H ARG 76 -4.465 3.032 -1.740 655 HA ARG 76 HA ARG 76 -4.838 5.622 -0.722 656 HB2 ARG 76 HB2 ARG 76 -5.395 5.071 -3.021 657 HB3 ARG 76 HB3 ARG 76 -6.640 3.953 -2.481 658 HG2 ARG 76 HG2 ARG 76 -7.924 5.791 -1.557 659 HG3 ARG 76 HG3 ARG 76 -6.658 6.928 -2.022 660 HD2 ARG 76 HD2 ARG 76 -7.059 6.545 -4.339 661 HD3 ARG 76 HD3 ARG 76 -8.127 5.184 -3.990 662 HE ARG 76 HE ARG 76 -9.464 7.091 -2.777 663 HH11 ARG 76 HH11 ARG 76 -7.841 7.233 -5.885 664 HH12 ARG 76 HH12 ARG 76 -8.924 8.426 -6.530 665 HH21 ARG 76 HH21 ARG 76 -10.894 8.649 -3.633 666 HH22 ARG 76 HH22 ARG 76 -10.666 9.211 -5.271 667 H ASN 77 H ASN 77 -6.506 2.594 -0.079 668 HA ASN 77 HA ASN 77 -8.617 3.774 1.438 669 HB2 ASN 77 HB2 ASN 77 -8.767 1.541 0.327 670 HB3 ASN 77 HB3 ASN 77 -7.637 0.916 1.519 671 HD21 ASN 77 HD21 ASN 77 -10.064 3.278 2.324 672 HD22 ASN 77 HD22 ASN 77 -11.042 2.229 3.288 673 H ALA 78 H ALA 78 -5.479 2.342 2.232 674 HA ALA 78 HA ALA 78 -5.697 2.392 5.027 675 HB1 ALA 78 HB1 ALA 78 -3.881 1.251 3.829 676 HB2 ALA 78 HB2 ALA 78 -3.260 2.355 5.057 677 HB3 ALA 78 HB3 ALA 78 -3.219 2.815 3.354 678 H PHE 79 H PHE 79 -4.428 4.822 2.779 679 HA PHE 79 HA PHE 79 -3.942 6.814 4.712 680 HB2 PHE 79 HB2 PHE 79 -4.302 6.842 1.739 681 HB3 PHE 79 HB3 PHE 79 -4.249 8.363 2.624 682 HD1 PHE 79 HD1 PHE 79 -2.233 8.867 4.030 683 HD2 PHE 79 HD2 PHE 79 -2.340 5.680 1.217 684 HE1 PHE 79 HE1 PHE 79 0.224 8.796 4.025 685 HE2 PHE 79 HE2 PHE 79 0.118 5.603 1.205 686 HZ PHE 79 HZ PHE 79 1.403 7.160 2.611 687 H ASP 80 H ASP 80 -6.819 5.833 3.006 688 HA ASP 80 HA ASP 80 -8.374 8.134 3.426 689 HB2 ASP 80 HB2 ASP 80 -8.921 6.214 1.887 690 HB3 ASP 80 HB3 ASP 80 -9.415 5.299 3.309 691 H ASP 81 H ASP 81 -8.073 5.153 5.364 692 HA ASP 81 HA ASP 81 -9.772 5.905 7.468 693 HB2 ASP 81 HB2 ASP 81 -7.388 4.069 7.318 694 HB3 ASP 81 HB3 ASP 81 -8.175 4.381 8.858 695 H ALA 82 H ALA 82 -6.348 6.532 6.904 696 HA ALA 82 HA ALA 82 -5.822 7.801 9.378 697 HB1 ALA 82 HB1 ALA 82 -4.408 8.139 6.736 698 HB2 ALA 82 HB2 ALA 82 -4.057 6.905 7.947 699 HB3 ALA 82 HB3 ALA 82 -3.783 8.608 8.316 700 H ILE 83 H ILE 83 -6.565 9.155 6.162 701 HA ILE 83 HA ILE 83 -6.297 11.850 6.970 702 HB ILE 83 HB ILE 83 -6.110 11.095 4.618 703 HG12 ILE 83 HG12 ILE 83 -8.198 13.228 5.104 704 HG13 ILE 83 HG13 ILE 83 -6.454 13.466 5.156 705 HG21 ILE 83 HG21 ILE 83 -7.971 9.537 4.547 706 HG22 ILE 83 HG22 ILE 83 -8.133 10.759 3.285 707 HG23 ILE 83 HG23 ILE 83 -9.110 10.869 4.748 708 HD11 ILE 83 HD11 ILE 83 -7.433 14.264 3.067 709 HD12 ILE 83 HD12 ILE 83 -8.028 12.637 2.730 710 HD13 ILE 83 HD13 ILE 83 -6.294 12.945 2.793 711 H HIS 84 H HIS 84 -9.019 9.643 6.970 712 HA HIS 84 HA HIS 84 -11.060 11.584 7.240 713 HB2 HIS 84 HB2 HIS 84 -10.857 8.655 7.558 714 HB3 HIS 84 HB3 HIS 84 -12.149 9.431 8.466 715 HD1 HIS 84 HD1 HIS 84 -14.021 10.617 7.093 716 HD2 HIS 84 HD2 HIS 84 -11.229 8.548 4.803 717 HE1 HIS 84 HE1 HIS 84 -15.035 10.419 4.801 718 HE2 HIS 84 HE2 HIS 84 -13.331 9.171 3.427 719 H GLU 85 H GLU 85 -8.679 10.559 9.427 720 HA GLU 85 HA GLU 85 -10.236 11.684 11.662 721 HB2 GLU 85 HB2 GLU 85 -9.441 9.325 11.938 722 HB3 GLU 85 HB3 GLU 85 -7.788 9.920 11.849 723 HG2 GLU 85 HG2 GLU 85 -8.216 11.323 13.827 724 HG3 GLU 85 HG3 GLU 85 -9.835 10.636 13.937 725 H GLY 86 H GLY 86 -7.256 11.838 9.854 726 HA2 GLY 86 HA2 GLY 86 -6.122 13.981 9.648 727 HA3 GLY 86 HA3 GLY 86 -6.518 14.283 11.337 728 H TYR 87 H TYR 87 -5.563 11.130 10.407 729 HA TYR 87 HA TYR 87 -3.367 11.097 12.215 730 HB2 TYR 87 HB2 TYR 87 -4.909 9.175 11.570 731 HB3 TYR 87 HB3 TYR 87 -4.004 9.068 10.068 732 HD1 TYR 87 HD1 TYR 87 -3.687 8.816 13.749 733 HD2 TYR 87 HD2 TYR 87 -1.989 7.873 9.968 734 HE1 TYR 87 HE1 TYR 87 -2.088 7.309 14.853 735 HE2 TYR 87 HE2 TYR 87 -0.384 6.360 11.058 736 HH TYR 87 HH TYR 87 -0.732 5.235 14.157 737 H VAL 88 H VAL 88 -3.728 11.586 8.788 738 HA VAL 88 HA VAL 88 -0.805 11.754 8.502 739 HB VAL 88 HB VAL 88 -1.877 9.975 7.136 740 HG11 VAL 88 HG11 VAL 88 -3.268 12.277 5.786 741 HG12 VAL 88 HG12 VAL 88 -4.022 10.984 6.717 742 HG13 VAL 88 HG13 VAL 88 -3.231 10.619 5.184 743 HG21 VAL 88 HG21 VAL 88 -0.802 10.555 5.009 744 HG22 VAL 88 HG22 VAL 88 0.216 10.952 6.395 745 HG23 VAL 88 HG23 VAL 88 -0.658 12.229 5.549 746 H ILE 89 H ILE 89 -0.003 13.441 7.086 747 HA ILE 89 HA ILE 89 -1.419 15.921 7.448 748 HB ILE 89 HB ILE 89 1.177 15.366 6.003 749 HG12 ILE 89 HG12 ILE 89 1.326 14.789 8.368 750 HG13 ILE 89 HG13 ILE 89 2.244 16.256 8.048 751 HG21 ILE 89 HG21 ILE 89 1.582 17.778 6.226 752 HG22 ILE 89 HG22 ILE 89 -0.035 17.975 6.905 753 HG23 ILE 89 HG23 ILE 89 0.163 17.429 5.238 754 HD11 ILE 89 HD11 ILE 89 0.999 16.405 10.129 755 HD12 ILE 89 HD12 ILE 89 -0.508 16.136 9.255 756 HD13 ILE 89 HD13 ILE 89 0.434 17.598 8.960 757 H LYS 90 H LYS 90 -0.044 14.315 4.576 758 HA LYS 90 HA LYS 90 -2.365 15.110 3.021 759 HB2 LYS 90 HB2 LYS 90 -0.771 16.997 2.826 760 HB3 LYS 90 HB3 LYS 90 0.446 15.888 2.212 761 HG2 LYS 90 HG2 LYS 90 -0.842 15.459 0.244 762 HG3 LYS 90 HG3 LYS 90 -2.207 16.373 0.884 763 HD2 LYS 90 HD2 LYS 90 0.509 17.517 0.232 764 HD3 LYS 90 HD3 LYS 90 -0.926 17.653 -0.784 765 HE2 LYS 90 HE2 LYS 90 -0.601 18.749 2.009 766 HE3 LYS 90 HE3 LYS 90 -0.593 19.684 0.515 767 HZ1 LYS 90 HZ1 LYS 90 -2.880 18.160 1.646 768 HZ2 LYS 90 HZ2 LYS 90 -2.893 18.904 0.125 769 HZ3 LYS 90 HZ3 LYS 90 -2.739 19.845 1.527 770 H ASN 91 H ASN 91 -2.862 13.692 1.481 771 HA ASN 91 HA ASN 91 -1.531 11.160 1.522 772 HB2 ASN 91 HB2 ASN 91 -3.904 12.197 -0.038 773 HB3 ASN 91 HB3 ASN 91 -3.313 10.545 -0.165 774 HD21 ASN 91 HD21 ASN 91 -5.353 9.820 0.574 775 HD22 ASN 91 HD22 ASN 91 -5.763 9.892 2.253 776 HA PRO 92 HA PRO 92 0.914 11.849 -2.141 777 HB2 PRO 92 HB2 PRO 92 1.968 9.417 -2.374 778 HB3 PRO 92 HB3 PRO 92 2.376 10.447 -0.997 779 HG2 PRO 92 HG2 PRO 92 0.467 8.150 -1.147 780 HG3 PRO 92 HG3 PRO 92 1.614 8.570 0.139 781 HD2 PRO 92 HD2 PRO 92 -1.095 9.166 0.164 782 HD3 PRO 92 HD3 PRO 92 0.138 9.998 1.130 783 H THR 93 H THR 93 -1.983 10.366 -2.070 784 HA THR 93 HA THR 93 -1.837 8.619 -4.328 785 HB THR 93 HB THR 93 -4.387 8.669 -4.068 786 HG1 THR 93 HG1 THR 93 -5.042 9.534 -1.993 787 HG21 THR 93 HG21 THR 93 -2.960 6.887 -3.157 788 HG22 THR 93 HG22 THR 93 -4.310 7.248 -2.081 789 HG23 THR 93 HG23 THR 93 -2.696 7.849 -1.702 790 H TYR 94 H TYR 94 -1.560 11.816 -4.355 791 HA TYR 94 HA TYR 94 -3.423 12.728 -6.250 792 HB2 TYR 94 HB2 TYR 94 -1.992 14.267 -4.996 793 HB3 TYR 94 HB3 TYR 94 -0.564 13.611 -5.790 794 HD1 TYR 94 HD2 TYR 94 -3.705 15.472 -6.399 795 HD2 TYR 94 HD1 TYR 94 0.153 14.448 -7.872 796 HE1 TYR 94 HE2 TYR 94 -3.959 17.131 -8.192 797 HE2 TYR 94 HE1 TYR 94 -0.090 16.109 -9.671 798 HH TYR 94 HH TYR 94 -1.867 17.286 -10.875 799 H LYS 95 H LYS 95 -0.062 11.635 -6.742 800 HA LYS 95 HA LYS 95 -0.685 11.070 -9.533 801 HB2 LYS 95 HB2 LYS 95 1.850 11.328 -7.977 802 HB3 LYS 95 HB3 LYS 95 1.852 10.320 -9.417 803 HG2 LYS 95 HG2 LYS 95 0.967 12.261 -10.693 804 HG3 LYS 95 HG3 LYS 95 1.177 13.245 -9.246 805 HD2 LYS 95 HD2 LYS 95 3.530 12.960 -9.297 806 HD3 LYS 95 HD3 LYS 95 3.416 11.672 -10.501 807 HE2 LYS 95 HE2 LYS 95 2.671 14.562 -10.954 808 HE3 LYS 95 HE3 LYS 95 4.174 13.804 -11.474 809 HZ1 LYS 95 HZ1 LYS 95 2.890 12.301 -12.874 810 HZ2 LYS 95 HZ2 LYS 95 2.570 13.913 -13.280 811 HZ3 LYS 95 HZ3 LYS 95 1.445 13.032 -12.373 812 H ALA 96 H ALA 96 -2.181 9.421 -8.926 813 HA ALA 96 HA ALA 96 -0.941 6.910 -8.034 814 HB1 ALA 96 HB1 ALA 96 -3.220 6.155 -7.554 815 HB2 ALA 96 HB2 ALA 96 -3.859 7.678 -8.171 816 HB3 ALA 96 HB3 ALA 96 -2.864 7.664 -6.715 817 H GLU 97 H GLU 97 -0.568 7.953 -10.672 818 HA GLU 97 HA GLU 97 -2.348 6.753 -12.534 819 HB2 GLU 97 HB2 GLU 97 0.521 7.618 -12.919 820 HB3 GLU 97 HB3 GLU 97 -0.637 7.290 -14.198 821 HG2 GLU 97 HG2 GLU 97 -1.968 9.179 -13.549 822 HG3 GLU 97 HG3 GLU 97 -0.943 9.462 -12.141 823 H LEU 98 H LEU 98 -2.571 4.648 -12.814 824 HA LEU 98 HA LEU 98 -0.573 2.793 -11.907 825 HB2 LEU 98 HB2 LEU 98 -3.166 2.299 -13.373 826 HB3 LEU 98 HB3 LEU 98 -2.187 1.078 -12.575 827 HG LEU 98 HG LEU 98 -3.539 3.387 -11.173 828 HD11 LEU 98 HD11 LEU 98 -5.065 1.696 -10.285 829 HD12 LEU 98 HD12 LEU 98 -4.295 0.469 -11.293 830 HD13 LEU 98 HD13 LEU 98 -5.174 1.802 -12.043 831 HD21 LEU 98 HD21 LEU 98 -2.107 0.963 -10.098 832 HD22 LEU 98 HD22 LEU 98 -2.935 2.190 -9.139 833 HD23 LEU 98 HD23 LEU 98 -1.502 2.620 -10.074 834 H HIS 99 H HIS 99 1.222 2.901 -13.174 835 HA HIS 99 HA HIS 99 0.876 2.597 -16.069 836 HB2 HIS 99 HB2 HIS 99 3.244 3.505 -14.430 837 HB3 HIS 99 HB3 HIS 99 3.336 3.182 -16.158 838 HD1 HIS 99 HD1 HIS 99 1.847 4.760 -17.714 839 HD2 HIS 99 HD2 HIS 99 2.282 5.985 -13.756 840 HE1 HIS 99 HE1 HIS 99 1.155 7.181 -17.667 841 HE2 HIS 99 HE2 HIS 99 1.300 7.868 -15.248 842 H ALA 100 H ALA 100 0.445 0.400 -16.158 843 HA ALA 100 HA ALA 100 2.480 -1.446 -15.182 844 HB1 ALA 100 HB1 ALA 100 0.134 -2.053 -14.853 845 HB2 ALA 100 HB2 ALA 100 0.947 -3.211 -15.905 846 HB3 ALA 100 HB3 ALA 100 -0.132 -1.999 -16.595 847 H SER 101 H SER 101 4.239 -1.157 -16.471 848 HA SER 101 HA SER 101 3.913 -0.831 -19.331 849 HB2 SER 101 HB2 SER 101 5.523 0.556 -18.054 850 HB3 SER 101 HB3 SER 101 6.448 -0.897 -17.677 851 HG SER 101 HG SER 101 6.632 -1.179 -20.010 852 H VAL 102 H VAL 102 3.778 -3.470 -17.516 853 HA VAL 102 HA VAL 102 5.522 -5.298 -18.766 854 HB VAL 102 HB VAL 102 2.762 -5.785 -17.620 855 HG11 VAL 102 HG11 VAL 102 3.492 -8.130 -17.406 856 HG12 VAL 102 HG12 VAL 102 4.962 -7.734 -18.296 857 HG13 VAL 102 HG13 VAL 102 3.390 -7.608 -19.087 858 HG21 VAL 102 HG21 VAL 102 5.502 -6.034 -16.399 859 HG22 VAL 102 HG22 VAL 102 4.005 -6.576 -15.642 860 HG23 VAL 102 HG23 VAL 102 4.256 -4.861 -15.971 861 H LEU 103 H LEU 103 2.339 -4.070 -19.591 862 HA LEU 103 HA LEU 103 2.117 -5.672 -21.972 863 HB2 LEU 103 HB2 LEU 103 0.493 -3.295 -21.048 864 HB3 LEU 103 HB3 LEU 103 0.089 -4.337 -22.399 865 HG LEU 103 HG LEU 103 0.224 -5.211 -19.511 866 HD11 LEU 103 HD11 LEU 103 -2.201 -5.347 -19.645 867 HD12 LEU 103 HD12 LEU 103 -2.158 -4.726 -21.294 868 HD13 LEU 103 HD13 LEU 103 -1.648 -3.701 -19.954 869 HD21 LEU 103 HD21 LEU 103 -0.640 -6.669 -22.005 870 HD22 LEU 103 HD22 LEU 103 -0.831 -7.268 -20.357 871 HD23 LEU 103 HD23 LEU 103 0.782 -7.017 -21.023 872 H GLU 104 H GLU 104 3.840 -5.185 -23.281 873 HA GLU 104 HA GLU 104 4.573 -2.488 -23.908 874 HB2 GLU 104 HB2 GLU 104 6.163 -4.408 -23.932 875 HB3 GLU 104 HB3 GLU 104 5.310 -5.062 -25.320 876 HG2 GLU 104 HG2 GLU 104 6.478 -2.313 -25.423 877 HG3 GLU 104 HG3 GLU 104 7.498 -3.729 -25.664 878 H HIS 105 H HIS 105 3.044 -5.119 -25.746 879 HA HIS 105 HA HIS 105 1.637 -3.083 -27.320 880 HB2 HIS 105 HB2 HIS 105 1.783 -4.595 -29.302 881 HB3 HIS 105 HB3 HIS 105 3.340 -3.963 -28.782 882 HD1 HIS 105 HD1 HIS 105 5.131 -5.619 -28.180 883 HD2 HIS 105 HD2 HIS 105 1.402 -7.399 -28.710 884 HE1 HIS 105 HE1 HIS 105 5.550 -8.104 -28.168 885 HE2 HIS 105 HE2 HIS 105 3.303 -9.158 -28.599 886 H HIS 106 H HIS 106 -0.348 -3.958 -28.364 887 HA HIS 106 HA HIS 106 -1.702 -5.673 -26.397 888 HB2 HIS 106 HB2 HIS 106 -2.746 -3.602 -28.333 889 HB3 HIS 106 HB3 HIS 106 -3.800 -4.699 -27.450 890 HD1 HIS 106 HD1 HIS 106 -4.907 -3.292 -25.741 891 HD2 HIS 106 HD2 HIS 106 -0.825 -2.508 -26.001 892 HE1 HIS 106 HE1 HIS 106 -4.408 -1.650 -23.900 893 HE2 HIS 106 HE2 HIS 106 -1.913 -1.330 -23.959 894 H HIS 107 H HIS 107 -3.078 -7.343 -27.074 895 HA HIS 107 HA HIS 107 -2.321 -8.727 -29.448 896 HB2 HIS 107 HB2 HIS 107 -4.630 -9.158 -27.539 897 HB3 HIS 107 HB3 HIS 107 -4.271 -10.226 -28.889 898 HD1 HIS 107 HD1 HIS 107 -3.170 -9.329 -25.455 899 HD2 HIS 107 HD2 HIS 107 -1.991 -11.843 -28.549 900 HE1 HIS 107 HE1 HIS 107 -1.524 -10.935 -24.431 901 HE2 HIS 107 HE2 HIS 107 -0.996 -12.579 -26.272 902 H HIS 108 H HIS 108 -2.876 -8.095 -31.419 903 HA HIS 108 HA HIS 108 -5.019 -6.287 -31.915 904 HB2 HIS 108 HB2 HIS 108 -3.320 -7.942 -33.793 905 HB3 HIS 108 HB3 HIS 108 -4.524 -6.780 -34.339 906 HD1 HIS 108 HD1 HIS 108 -4.083 -4.253 -33.307 907 HD2 HIS 108 HD2 HIS 108 -0.848 -6.858 -33.521 908 HE1 HIS 108 HE1 HIS 108 -2.033 -2.799 -33.199 909 HE2 HIS 108 HE2 HIS 108 -0.090 -4.376 -33.490 910 H HIS 109 H HIS 109 -4.605 -9.744 -32.170 911 HA HIS 109 HA HIS 109 -7.387 -10.183 -31.783 912 HB2 HIS 109 HB2 HIS 109 -7.900 -11.402 -33.813 913 HB3 HIS 109 HB3 HIS 109 -7.371 -9.786 -34.252 914 HD1 HIS 109 HD1 HIS 109 -5.330 -9.582 -35.734 915 HD2 HIS 109 HD2 HIS 109 -6.047 -13.480 -34.467 916 HE1 HIS 109 HE1 HIS 109 -3.757 -11.035 -37.067 917 HE2 HIS 109 HE2 HIS 109 -4.182 -13.388 -36.257 918 H HIS 110 H HIS 110 -7.818 -12.460 -31.363 919 HA HIS 110 HA HIS 110 -5.414 -13.784 -30.404 920 HB2 HIS 110 HB2 HIS 110 -6.848 -15.264 -29.165 921 HB3 HIS 110 HB3 HIS 110 -7.430 -13.624 -28.938 922 HD1 HIS 110 HD1 HIS 110 -8.597 -16.925 -29.637 923 HD2 HIS 110 HD2 HIS 110 -9.755 -13.100 -30.769 924 HE1 HIS 110 HE1 HIS 110 -10.974 -17.148 -30.432 925 HE2 HIS 110 HE2 HIS 110 -11.713 -14.781 -30.922 Start of MODEL 6 1 H1 MET 1 H1 MET 1 4.296 10.544 15.049 2 H2 MET 1 H2 MET 1 5.349 9.293 15.487 3 H3 MET 1 H3 MET 1 3.808 8.929 14.882 4 HA MET 1 HA MET 1 4.408 9.926 12.753 5 HB2 MET 1 HB2 MET 1 7.168 10.054 13.993 6 HB3 MET 1 HB3 MET 1 6.777 10.418 12.317 7 HG2 MET 1 HG2 MET 1 5.422 12.303 13.021 8 HG3 MET 1 HG3 MET 1 5.747 11.923 14.711 9 HE1 MET 1 HE1 MET 1 7.228 13.157 11.317 10 HE2 MET 1 HE2 MET 1 8.256 11.766 11.663 11 HE3 MET 1 HE3 MET 1 8.930 13.395 11.714 12 H ILE 2 H ILE 2 3.879 8.017 11.883 13 HA ILE 2 HA ILE 2 5.456 5.648 12.635 14 HB ILE 2 HB ILE 2 2.997 5.602 13.058 15 HG12 ILE 2 HG12 ILE 2 2.581 3.387 11.987 16 HG13 ILE 2 HG13 ILE 2 4.042 3.615 11.032 17 HG21 ILE 2 HG21 ILE 2 2.801 5.690 10.052 18 HG22 ILE 2 HG22 ILE 2 2.241 6.926 11.180 19 HG23 ILE 2 HG23 ILE 2 1.469 5.341 11.152 20 HD11 ILE 2 HD11 ILE 2 3.899 3.426 14.032 21 HD12 ILE 2 HD12 ILE 2 5.366 3.671 13.084 22 HD13 ILE 2 HD13 ILE 2 4.456 2.169 12.927 23 H THR 3 H THR 3 6.207 4.207 11.070 24 HA THR 3 HA THR 3 6.883 5.294 8.523 25 HB THR 3 HB THR 3 7.532 2.717 8.234 26 HG1 THR 3 HG1 THR 3 7.350 1.610 10.042 27 HG21 THR 3 HG21 THR 3 9.110 4.600 8.300 28 HG22 THR 3 HG22 THR 3 9.698 3.236 9.252 29 HG23 THR 3 HG23 THR 3 8.990 4.634 10.060 30 H PHE 4 H PHE 4 6.188 4.584 6.486 31 HA PHE 4 HA PHE 4 3.414 4.307 6.252 32 HB2 PHE 4 HB2 PHE 4 4.725 5.356 4.517 33 HB3 PHE 4 HB3 PHE 4 5.608 3.862 4.223 34 HD1 PHE 4 HD1 PHE 4 2.049 4.990 4.359 35 HD2 PHE 4 HD2 PHE 4 5.019 2.703 2.349 36 HE1 PHE 4 HE1 PHE 4 0.398 4.349 2.652 37 HE2 PHE 4 HE2 PHE 4 3.374 2.054 0.640 38 HZ PHE 4 HZ PHE 4 1.057 2.880 0.792 39 H ALA 5 H ALA 5 5.986 1.901 5.822 40 HA ALA 5 HA ALA 5 4.416 -0.210 4.909 41 HB1 ALA 5 HB1 ALA 5 6.889 -0.402 6.626 42 HB2 ALA 5 HB2 ALA 5 6.879 -0.187 4.877 43 HB3 ALA 5 HB3 ALA 5 6.232 -1.666 5.586 44 H ASP 6 H ASP 6 5.306 0.655 8.231 45 HA ASP 6 HA ASP 6 4.089 -1.549 9.479 46 HB2 ASP 6 HB2 ASP 6 4.834 1.190 10.492 47 HB3 ASP 6 HB3 ASP 6 4.139 -0.049 11.534 48 H TYR 7 H TYR 7 2.884 1.739 8.870 49 HA TYR 7 HA TYR 7 0.435 1.377 10.224 50 HB2 TYR 7 HB2 TYR 7 1.423 3.595 9.551 51 HB3 TYR 7 HB3 TYR 7 0.919 3.248 7.900 52 HD1 TYR 7 HD2 TYR 7 -0.314 3.834 11.334 53 HD2 TYR 7 HD1 TYR 7 -1.340 3.600 7.211 54 HE1 TYR 7 HE2 TYR 7 -2.529 4.773 11.838 55 HE2 TYR 7 HE1 TYR 7 -3.560 4.538 7.705 56 HH TYR 7 HH TYR 7 -5.103 4.757 9.592 57 H PHE 8 H PHE 8 1.426 0.825 6.889 58 HA PHE 8 HA PHE 8 -1.104 0.322 5.793 59 HB2 PHE 8 HB2 PHE 8 0.884 0.674 4.411 60 HB3 PHE 8 HB3 PHE 8 1.585 -0.825 5.010 61 HD1 PHE 8 HD1 PHE 8 -1.238 0.558 3.044 62 HD2 PHE 8 HD2 PHE 8 1.104 -2.872 3.983 63 HE1 PHE 8 HE1 PHE 8 -2.307 -0.674 1.200 64 HE2 PHE 8 HE2 PHE 8 0.040 -4.107 2.142 65 HZ PHE 8 HZ PHE 8 -1.666 -3.010 0.747 66 H TYR 9 H TYR 9 1.257 -1.893 7.279 67 HA TYR 9 HA TYR 9 -0.349 -4.203 6.843 68 HB2 TYR 9 HB2 TYR 9 2.145 -4.231 7.268 69 HB3 TYR 9 HB3 TYR 9 1.787 -3.909 8.963 70 HD1 TYR 9 HD1 TYR 9 0.561 -5.613 10.312 71 HD2 TYR 9 HD2 TYR 9 1.846 -6.407 6.336 72 HE1 TYR 9 HE1 TYR 9 0.224 -8.016 10.693 73 HE2 TYR 9 HE2 TYR 9 1.524 -8.815 6.705 74 HH TYR 9 HH TYR 9 1.480 -10.389 8.704 75 H GLN 10 H GLN 10 0.104 -2.020 9.600 76 HA GLN 10 HA GLN 10 -1.490 -3.445 11.429 77 HB2 GLN 10 HB2 GLN 10 0.065 -1.567 12.002 78 HB3 GLN 10 HB3 GLN 10 -1.106 -0.450 11.318 79 HG2 GLN 10 HG2 GLN 10 -2.750 -1.124 12.973 80 HG3 GLN 10 HG3 GLN 10 -1.616 -2.296 13.641 81 HE21 GLN 10 HE21 GLN 10 -2.461 1.054 13.371 82 HE22 GLN 10 HE22 GLN 10 -1.370 1.627 14.590 83 H TRP 11 H TRP 11 -2.266 -0.924 9.081 84 HA TRP 11 HA TRP 11 -4.997 -0.647 9.598 85 HB2 TRP 11 HB2 TRP 11 -3.957 0.893 8.109 86 HB3 TRP 11 HB3 TRP 11 -3.377 -0.396 7.062 87 HD1 TRP 11 HD1 TRP 11 -6.713 1.315 8.043 88 HE1 TRP 11 HE1 TRP 11 -8.316 1.124 6.029 89 HE3 TRP 11 HE3 TRP 11 -3.815 -1.576 4.985 90 HZ2 TRP 11 HZ2 TRP 11 -8.328 -0.097 3.485 91 HZ3 TRP 11 HZ3 TRP 11 -4.694 -2.210 2.776 92 HH2 TRP 11 HH2 TRP 11 -6.905 -1.483 2.046 93 H TYR 12 H TYR 12 -3.337 -2.848 7.352 94 HA TYR 12 HA TYR 12 -5.595 -4.228 6.447 95 HB2 TYR 12 HB2 TYR 12 -3.685 -4.604 5.181 96 HB3 TYR 12 HB3 TYR 12 -2.666 -4.836 6.595 97 HD1 TYR 12 HD1 TYR 12 -5.532 -6.468 4.823 98 HD2 TYR 12 HD2 TYR 12 -1.992 -6.969 7.127 99 HE1 TYR 12 HE1 TYR 12 -5.716 -8.904 4.565 100 HE2 TYR 12 HE2 TYR 12 -2.165 -9.404 6.879 101 HH TYR 12 HH TYR 12 -3.805 -11.079 6.420 102 H GLU 13 H GLU 13 -3.502 -4.801 9.225 103 HA GLU 13 HA GLU 13 -4.479 -7.297 10.009 104 HB2 GLU 13 HB2 GLU 13 -2.406 -6.305 10.852 105 HB3 GLU 13 HB3 GLU 13 -3.325 -5.065 11.691 106 HG2 GLU 13 HG2 GLU 13 -4.304 -6.735 13.141 107 HG3 GLU 13 HG3 GLU 13 -3.463 -8.016 12.269 108 H VAL 14 H VAL 14 -5.663 -4.049 10.722 109 HA VAL 14 HA VAL 14 -7.687 -5.102 12.540 110 HB VAL 14 HB VAL 14 -7.301 -2.245 11.619 111 HG11 VAL 14 HG11 VAL 14 -8.539 -1.672 13.651 112 HG12 VAL 14 HG12 VAL 14 -8.747 -3.387 14.010 113 HG13 VAL 14 HG13 VAL 14 -9.498 -2.689 12.574 114 HG21 VAL 14 HG21 VAL 14 -6.115 -1.901 13.751 115 HG22 VAL 14 HG22 VAL 14 -5.262 -3.006 12.674 116 HG23 VAL 14 HG23 VAL 14 -6.174 -3.640 14.044 117 H ASN 15 H ASN 15 -7.387 -4.437 9.215 118 HA ASN 15 HA ASN 15 -10.200 -3.628 8.974 119 HB2 ASN 15 HB2 ASN 15 -7.937 -2.529 7.880 120 HB3 ASN 15 HB3 ASN 15 -8.562 -3.501 6.551 121 HD21 ASN 15 HD21 ASN 15 -9.115 -0.796 8.636 122 HD22 ASN 15 HD22 ASN 15 -10.440 -0.129 7.754 123 H LYS 16 H LYS 16 -7.875 -5.678 7.186 124 HA LYS 16 HA LYS 16 -10.209 -7.000 5.973 125 HB2 LYS 16 HB2 LYS 16 -7.376 -7.008 4.938 126 HB3 LYS 16 HB3 LYS 16 -8.829 -7.496 4.079 127 HG2 LYS 16 HG2 LYS 16 -8.201 -4.691 4.974 128 HG3 LYS 16 HG3 LYS 16 -7.978 -5.320 3.343 129 HD2 LYS 16 HD2 LYS 16 -10.381 -5.721 3.161 130 HD3 LYS 16 HD3 LYS 16 -10.610 -5.138 4.811 131 HE2 LYS 16 HE2 LYS 16 -9.744 -2.943 4.151 132 HE3 LYS 16 HE3 LYS 16 -9.519 -3.528 2.505 133 HZ1 LYS 16 HZ1 LYS 16 -11.894 -3.837 2.302 134 HZ2 LYS 16 HZ2 LYS 16 -11.559 -2.240 2.765 135 HZ3 LYS 16 HZ3 LYS 16 -12.134 -3.346 3.912 136 H LEU 17 H LEU 17 -7.568 -7.512 8.055 137 HA LEU 17 HA LEU 17 -6.587 -9.987 7.477 138 HB2 LEU 17 HB2 LEU 17 -5.747 -8.503 9.248 139 HB3 LEU 17 HB3 LEU 17 -7.124 -8.932 10.246 140 HG LEU 17 HG LEU 17 -6.329 -11.322 10.156 141 HD11 LEU 17 HD11 LEU 17 -4.956 -11.181 8.173 142 HD12 LEU 17 HD12 LEU 17 -3.972 -11.673 9.552 143 HD13 LEU 17 HD13 LEU 17 -3.895 -10.013 8.959 144 HD21 LEU 17 HD21 LEU 17 -4.592 -10.995 11.830 145 HD22 LEU 17 HD22 LEU 17 -5.938 -9.885 12.095 146 HD23 LEU 17 HD23 LEU 17 -4.444 -9.301 11.362 147 HA PRO 18 HA PRO 18 -9.848 -12.397 9.857 148 HB2 PRO 18 HB2 PRO 18 -11.789 -11.256 11.285 149 HB3 PRO 18 HB3 PRO 18 -10.126 -11.329 11.881 150 HG2 PRO 18 HG2 PRO 18 -11.632 -9.034 10.730 151 HG3 PRO 18 HG3 PRO 18 -10.399 -9.048 12.003 152 HD2 PRO 18 HD2 PRO 18 -10.008 -8.405 9.294 153 HD3 PRO 18 HD3 PRO 18 -8.742 -8.720 10.495 154 H HIS 19 H HIS 19 -10.488 -10.617 7.322 155 HA HIS 19 HA HIS 19 -13.264 -11.581 7.061 156 HB2 HIS 19 HB2 HIS 19 -12.216 -8.929 6.065 157 HB3 HIS 19 HB3 HIS 19 -13.838 -9.558 5.793 158 HD2 HIS 19 HD2 HIS 19 -11.832 -7.615 8.389 159 HE1 HIS 19 HE1 HIS 19 -15.607 -8.491 10.088 160 HE2 HIS 19 HE2 HIS 19 -13.529 -7.043 10.268 161 H VAL 20 H VAL 20 -10.200 -10.956 5.486 162 HA VAL 20 HA VAL 20 -11.297 -11.701 2.892 163 HB VAL 20 HB VAL 20 -9.121 -11.124 1.965 164 HG11 VAL 20 HG11 VAL 20 -9.137 -8.733 2.482 165 HG12 VAL 20 HG12 VAL 20 -10.163 -9.047 3.884 166 HG13 VAL 20 HG13 VAL 20 -10.768 -9.365 2.257 167 HG21 VAL 20 HG21 VAL 20 -7.358 -10.158 3.385 168 HG22 VAL 20 HG22 VAL 20 -7.669 -11.852 3.765 169 HG23 VAL 20 HG23 VAL 20 -8.298 -10.583 4.817 170 H SER 21 H SER 21 -10.208 -13.272 1.550 171 HA SER 21 HA SER 21 -9.587 -15.677 3.049 172 HB2 SER 21 HB2 SER 21 -9.619 -16.691 0.706 173 HB3 SER 21 HB3 SER 21 -11.137 -15.989 1.268 174 HG SER 21 HG SER 21 -10.489 -15.402 -0.915 175 H GLU 22 H GLU 22 -7.799 -17.101 2.007 176 HA GLU 22 HA GLU 22 -5.343 -15.959 2.583 177 HB2 GLU 22 HB2 GLU 22 -6.018 -18.369 0.913 178 HB3 GLU 22 HB3 GLU 22 -4.366 -17.926 1.321 179 HG2 GLU 22 HG2 GLU 22 -4.872 -18.158 3.685 180 HG3 GLU 22 HG3 GLU 22 -6.547 -18.556 3.295 181 H SER 23 H SER 23 -6.954 -16.204 -0.550 182 HA SER 23 HA SER 23 -4.791 -15.467 -2.165 183 HB2 SER 23 HB2 SER 23 -7.718 -14.840 -2.606 184 HB3 SER 23 HB3 SER 23 -6.461 -14.888 -3.842 185 HG SER 23 HG SER 23 -7.770 -16.968 -2.534 186 H THR 24 H THR 24 -7.349 -13.455 -0.726 187 HA THR 24 HA THR 24 -6.317 -10.998 -1.651 188 HB THR 24 HB THR 24 -8.046 -11.401 0.794 189 HG1 THR 24 HG1 THR 24 -9.757 -11.641 -0.533 190 HG21 THR 24 HG21 THR 24 -7.796 -9.122 -1.174 191 HG22 THR 24 HG22 THR 24 -7.214 -9.128 0.492 192 HG23 THR 24 HG23 THR 24 -8.946 -9.199 0.162 193 H LYS 25 H LYS 25 -5.863 -12.853 1.328 194 HA LYS 25 HA LYS 25 -4.434 -10.984 2.827 195 HB2 LYS 25 HB2 LYS 25 -4.112 -13.988 2.713 196 HB3 LYS 25 HB3 LYS 25 -3.383 -12.959 3.936 197 HG2 LYS 25 HG2 LYS 25 -5.645 -12.241 4.620 198 HG3 LYS 25 HG3 LYS 25 -6.321 -13.386 3.460 199 HD2 LYS 25 HD2 LYS 25 -6.363 -14.490 5.544 200 HD3 LYS 25 HD3 LYS 25 -4.999 -15.178 4.667 201 HE2 LYS 25 HE2 LYS 25 -4.743 -12.949 6.678 202 HE3 LYS 25 HE3 LYS 25 -4.574 -14.653 7.087 203 HZ1 LYS 25 HZ1 LYS 25 -2.432 -13.603 6.728 204 HZ2 LYS 25 HZ2 LYS 25 -2.870 -13.169 5.152 205 HZ3 LYS 25 HZ3 LYS 25 -2.705 -14.804 5.562 206 H ARG 26 H ARG 26 -3.230 -13.456 0.581 207 HA ARG 26 HA ARG 26 -0.522 -12.755 0.846 208 HB2 ARG 26 HB2 ARG 26 -2.058 -14.382 -1.138 209 HB3 ARG 26 HB3 ARG 26 -0.386 -13.956 -1.483 210 HG2 ARG 26 HG2 ARG 26 0.285 -14.956 0.669 211 HG3 ARG 26 HG3 ARG 26 -1.387 -15.445 0.933 212 HD2 ARG 26 HD2 ARG 26 0.072 -16.264 -1.548 213 HD3 ARG 26 HD3 ARG 26 0.292 -17.153 -0.043 214 HE ARG 26 HE ARG 26 -2.362 -16.787 -1.279 215 HH11 ARG 26 HH11 ARG 26 0.103 -18.776 0.178 216 HH12 ARG 26 HH12 ARG 26 -0.865 -20.220 0.189 217 HH21 ARG 26 HH21 ARG 26 -3.676 -18.689 -1.259 218 HH22 ARG 26 HH22 ARG 26 -3.020 -20.162 -0.601 219 H HIS 27 H HIS 27 -3.051 -11.454 -1.214 220 HA HIS 27 HA HIS 27 -1.411 -9.935 -2.920 221 HB2 HIS 27 HB2 HIS 27 -4.227 -9.646 -1.958 222 HB3 HIS 27 HB3 HIS 27 -3.476 -8.290 -2.788 223 HD2 HIS 27 HD2 HIS 27 -5.142 -11.640 -3.545 224 HE1 HIS 27 HE1 HIS 27 -3.562 -10.110 -7.159 225 HE2 HIS 27 HE2 HIS 27 -5.276 -11.674 -6.135 226 H TYR 28 H TYR 28 -2.925 -9.049 0.178 227 HA TYR 28 HA TYR 28 -1.760 -6.493 0.377 228 HB2 TYR 28 HB2 TYR 28 -2.935 -8.383 2.397 229 HB3 TYR 28 HB3 TYR 28 -2.192 -6.873 2.907 230 HD1 TYR 28 HD2 TYR 28 -5.028 -8.388 1.152 231 HD2 TYR 28 HD1 TYR 28 -3.244 -4.749 2.437 232 HE1 TYR 28 HE2 TYR 28 -7.145 -7.211 0.738 233 HE2 TYR 28 HE1 TYR 28 -5.358 -3.565 2.036 234 HH TYR 28 HH TYR 28 -7.396 -3.829 0.682 235 H GLU 29 H GLU 29 -0.738 -9.637 1.655 236 HA GLU 29 HA GLU 29 1.456 -8.665 3.126 237 HB2 GLU 29 HB2 GLU 29 0.908 -11.401 1.972 238 HB3 GLU 29 HB3 GLU 29 2.236 -11.046 3.072 239 HG2 GLU 29 HG2 GLU 29 0.614 -10.316 4.766 240 HG3 GLU 29 HG3 GLU 29 -0.701 -10.732 3.669 241 H SER 30 H SER 30 1.271 -9.941 -0.183 242 HA SER 30 HA SER 30 4.041 -9.712 -0.719 243 HB2 SER 30 HB2 SER 30 1.739 -9.682 -2.687 244 HB3 SER 30 HB3 SER 30 3.430 -10.008 -3.068 245 HG SER 30 HG SER 30 1.526 -11.619 -1.840 246 H ALA 31 H ALA 31 1.287 -7.535 -1.199 247 HA ALA 31 HA ALA 31 2.650 -5.432 -2.456 248 HB1 ALA 31 HB1 ALA 31 0.358 -5.284 -0.493 249 HB2 ALA 31 HB2 ALA 31 0.218 -5.477 -2.241 250 HB3 ALA 31 HB3 ALA 31 0.876 -3.986 -1.568 251 H TYR 32 H TYR 32 2.205 -6.243 0.940 252 HA TYR 32 HA TYR 32 3.567 -4.087 2.078 253 HB2 TYR 32 HB2 TYR 32 2.161 -5.568 3.404 254 HB3 TYR 32 HB3 TYR 32 3.240 -6.921 3.087 255 HD1 TYR 32 HD2 TYR 32 3.144 -3.556 4.691 256 HD2 TYR 32 HD1 TYR 32 4.992 -7.383 4.555 257 HE1 TYR 32 HE2 TYR 32 4.431 -3.001 6.712 258 HE2 TYR 32 HE1 TYR 32 6.284 -6.838 6.571 259 HH TYR 32 HH TYR 32 5.574 -4.251 8.588 260 H LYS 33 H LYS 33 4.763 -7.098 0.683 261 HA LYS 33 HA LYS 33 7.410 -6.968 1.664 262 HB2 LYS 33 HB2 LYS 33 6.578 -8.035 -1.043 263 HB3 LYS 33 HB3 LYS 33 8.029 -8.449 -0.147 264 HG2 LYS 33 HG2 LYS 33 5.198 -9.192 0.487 265 HG3 LYS 33 HG3 LYS 33 6.526 -10.256 0.023 266 HD2 LYS 33 HD2 LYS 33 7.689 -9.403 2.140 267 HD3 LYS 33 HD3 LYS 33 6.100 -8.790 2.600 268 HE2 LYS 33 HE2 LYS 33 6.676 -11.660 1.902 269 HE3 LYS 33 HE3 LYS 33 6.644 -11.025 3.546 270 HZ1 LYS 33 HZ1 LYS 33 4.386 -11.145 1.624 271 HZ2 LYS 33 HZ2 LYS 33 4.322 -10.316 3.103 272 HZ3 LYS 33 HZ3 LYS 33 4.541 -11.998 3.082 273 H HIS 34 H HIS 34 5.926 -5.726 -1.307 274 HA HIS 34 HA HIS 34 8.335 -4.685 -2.340 275 HB2 HIS 34 HB2 HIS 34 5.458 -4.033 -2.991 276 HB3 HIS 34 HB3 HIS 34 6.825 -3.357 -3.867 277 HD1 HIS 34 HD1 HIS 34 8.420 -5.294 -5.044 278 HD2 HIS 34 HD2 HIS 34 4.560 -6.364 -3.949 279 HE1 HIS 34 HE1 HIS 34 7.877 -7.396 -6.335 280 H ILE 35 H ILE 35 5.773 -3.349 -0.349 281 HA ILE 35 HA ILE 35 6.742 -0.681 -0.274 282 HB ILE 35 HB ILE 35 5.032 -2.198 1.709 283 HG12 ILE 35 HG12 ILE 35 4.297 -0.199 -0.442 284 HG13 ILE 35 HG13 ILE 35 4.065 -1.941 -0.553 285 HG21 ILE 35 HG21 ILE 35 5.528 0.769 1.516 286 HG22 ILE 35 HG22 ILE 35 6.146 -0.298 2.776 287 HG23 ILE 35 HG23 ILE 35 4.409 -0.030 2.623 288 HD11 ILE 35 HD11 ILE 35 2.749 -0.127 1.455 289 HD12 ILE 35 HD12 ILE 35 2.493 -1.865 1.296 290 HD13 ILE 35 HD13 ILE 35 1.996 -0.778 -0.001 291 H LYS 36 H LYS 36 7.288 -3.544 1.689 292 HA LYS 36 HA LYS 36 8.865 -2.453 3.721 293 HB2 LYS 36 HB2 LYS 36 7.972 -4.678 3.905 294 HB3 LYS 36 HB3 LYS 36 8.817 -5.198 2.457 295 HG2 LYS 36 HG2 LYS 36 9.898 -6.102 4.397 296 HG3 LYS 36 HG3 LYS 36 10.957 -4.917 3.634 297 HD2 LYS 36 HD2 LYS 36 10.979 -4.689 6.054 298 HD3 LYS 36 HD3 LYS 36 10.298 -3.250 5.295 299 HE2 LYS 36 HE2 LYS 36 8.042 -4.097 5.776 300 HE3 LYS 36 HE3 LYS 36 8.749 -5.505 6.567 301 HZ1 LYS 36 HZ1 LYS 36 9.137 -2.683 7.421 302 HZ2 LYS 36 HZ2 LYS 36 9.764 -4.051 8.200 303 HZ3 LYS 36 HZ3 LYS 36 8.089 -3.796 8.157 304 H ASP 37 H ASP 37 9.648 -3.311 0.430 305 HA ASP 37 HA ASP 37 12.494 -3.131 0.861 306 HB2 ASP 37 HB2 ASP 37 11.739 -4.701 -0.794 307 HB3 ASP 37 HB3 ASP 37 10.861 -3.441 -1.657 308 H HIS 38 H HIS 38 9.988 -1.109 -0.628 309 HA HIS 38 HA HIS 38 11.990 0.835 -1.432 310 HB2 HIS 38 HB2 HIS 38 9.018 0.645 -1.849 311 HB3 HIS 38 HB3 HIS 38 9.911 2.110 -2.245 312 HD1 HIS 38 HD1 HIS 38 10.671 2.211 -4.594 313 HD2 HIS 38 HD2 HIS 38 10.285 -1.710 -3.252 314 HE1 HIS 38 HE1 HIS 38 11.231 0.753 -6.570 315 HE2 HIS 38 HE2 HIS 38 11.268 -1.595 -5.640 316 H PHE 39 H PHE 39 9.112 0.858 0.674 317 HA PHE 39 HA PHE 39 10.015 3.426 1.748 318 HB2 PHE 39 HB2 PHE 39 7.377 1.973 2.050 319 HB3 PHE 39 HB3 PHE 39 7.746 3.546 2.750 320 HD1 PHE 39 HD1 PHE 39 8.600 5.338 1.004 321 HD2 PHE 39 HD2 PHE 39 6.278 1.909 0.026 322 HE1 PHE 39 HE1 PHE 39 7.837 6.452 -1.055 323 HE2 PHE 39 HE2 PHE 39 5.513 3.014 -2.035 324 HZ PHE 39 HZ PHE 39 6.291 5.290 -2.575 325 H ARG 40 H ARG 40 11.744 1.812 2.621 326 HA ARG 40 HA ARG 40 11.116 0.091 4.758 327 HB2 ARG 40 HB2 ARG 40 13.758 1.449 4.185 328 HB3 ARG 40 HB3 ARG 40 13.516 0.018 5.179 329 HG2 ARG 40 HG2 ARG 40 12.636 -1.145 3.156 330 HG3 ARG 40 HG3 ARG 40 13.110 0.264 2.212 331 HD2 ARG 40 HD2 ARG 40 15.435 -0.057 2.910 332 HD3 ARG 40 HD3 ARG 40 14.954 -1.471 3.849 333 HE ARG 40 HE ARG 40 14.207 -1.606 1.071 334 HH11 ARG 40 HH11 ARG 40 16.709 -2.298 3.413 335 HH12 ARG 40 HH12 ARG 40 17.504 -3.472 2.406 336 HH21 ARG 40 HH21 ARG 40 15.215 -3.193 -0.252 337 HH22 ARG 40 HH22 ARG 40 16.656 -3.982 0.334 338 H HIS 41 H HIS 41 12.689 3.296 4.855 339 HA HIS 41 HA HIS 41 11.683 3.583 7.614 340 HB2 HIS 41 HB2 HIS 41 14.180 4.578 6.279 341 HB3 HIS 41 HB3 HIS 41 13.527 5.430 7.673 342 HD1 HIS 41 HD1 HIS 41 15.917 4.675 8.704 343 HD2 HIS 41 HD2 HIS 41 13.103 1.674 8.101 344 HE1 HIS 41 HE1 HIS 41 16.689 2.732 10.104 345 HE2 HIS 41 HE2 HIS 41 14.874 0.996 9.863 346 H LYS 42 H LYS 42 10.372 4.172 5.018 347 HA LYS 42 HA LYS 42 10.247 7.055 4.880 348 HB2 LYS 42 HB2 LYS 42 10.095 5.418 2.912 349 HB3 LYS 42 HB3 LYS 42 8.458 5.093 3.459 350 HG2 LYS 42 HG2 LYS 42 8.350 6.691 1.709 351 HG3 LYS 42 HG3 LYS 42 7.972 7.521 3.219 352 HD2 LYS 42 HD2 LYS 42 10.010 8.634 3.263 353 HD3 LYS 42 HD3 LYS 42 10.775 7.477 2.170 354 HE2 LYS 42 HE2 LYS 42 9.422 8.304 0.326 355 HE3 LYS 42 HE3 LYS 42 8.602 9.426 1.410 356 HZ1 LYS 42 HZ1 LYS 42 10.537 10.684 1.681 357 HZ2 LYS 42 HZ2 LYS 42 10.474 10.350 0.014 358 HZ3 LYS 42 HZ3 LYS 42 11.533 9.478 1.014 359 H LEU 43 H LEU 43 8.974 8.210 6.142 360 HA LEU 43 HA LEU 43 7.059 7.047 7.888 361 HB2 LEU 43 HB2 LEU 43 7.525 9.936 7.155 362 HB3 LEU 43 HB3 LEU 43 6.538 9.381 8.494 363 HG LEU 43 HG LEU 43 9.506 8.899 8.227 364 HD11 LEU 43 HD11 LEU 43 7.987 10.881 9.914 365 HD12 LEU 43 HD12 LEU 43 9.040 11.257 8.551 366 HD13 LEU 43 HD13 LEU 43 9.717 10.557 10.021 367 HD21 LEU 43 HD21 LEU 43 9.344 8.205 10.579 368 HD22 LEU 43 HD22 LEU 43 8.393 7.168 9.515 369 HD23 LEU 43 HD23 LEU 43 7.592 8.390 10.501 370 H LEU 44 H LEU 44 4.819 7.353 7.949 371 HA LEU 44 HA LEU 44 3.401 7.001 5.574 372 HB2 LEU 44 HB2 LEU 44 2.549 6.321 7.748 373 HB3 LEU 44 HB3 LEU 44 2.462 7.992 8.270 374 HG LEU 44 HG LEU 44 0.742 8.384 6.490 375 HD11 LEU 44 HD11 LEU 44 -0.386 6.420 5.551 376 HD12 LEU 44 HD12 LEU 44 0.846 5.380 6.268 377 HD13 LEU 44 HD13 LEU 44 1.290 6.539 5.014 378 HD21 LEU 44 HD21 LEU 44 0.123 8.033 8.814 379 HD22 LEU 44 HD22 LEU 44 0.114 6.288 8.561 380 HD23 LEU 44 HD23 LEU 44 -1.064 7.306 7.732 381 H LYS 45 H LYS 45 4.169 9.907 7.359 382 HA LYS 45 HA LYS 45 2.424 11.590 5.803 383 HB2 LYS 45 HB2 LYS 45 3.443 13.427 7.108 384 HB3 LYS 45 HB3 LYS 45 2.817 12.138 8.130 385 HG2 LYS 45 HG2 LYS 45 5.000 11.311 8.568 386 HG3 LYS 45 HG3 LYS 45 5.710 12.351 7.333 387 HD2 LYS 45 HD2 LYS 45 4.374 13.292 9.870 388 HD3 LYS 45 HD3 LYS 45 6.115 13.205 9.596 389 HE2 LYS 45 HE2 LYS 45 5.856 14.786 7.711 390 HE3 LYS 45 HE3 LYS 45 4.140 14.915 8.090 391 HZ1 LYS 45 HZ1 LYS 45 4.793 15.719 10.321 392 HZ2 LYS 45 HZ2 LYS 45 5.283 16.747 9.064 393 HZ3 LYS 45 HZ3 LYS 45 6.414 15.735 9.814 394 H ASP 46 H ASP 46 5.417 10.222 5.204 395 HA ASP 46 HA ASP 46 6.500 12.609 3.876 396 HB2 ASP 46 HB2 ASP 46 7.823 11.106 5.553 397 HB3 ASP 46 HB3 ASP 46 8.000 10.025 4.174 398 H ILE 47 H ILE 47 4.450 10.338 3.044 399 HA ILE 47 HA ILE 47 5.664 9.336 0.632 400 HB ILE 47 HB ILE 47 2.758 9.217 1.457 401 HG12 ILE 47 HG12 ILE 47 4.221 8.156 3.135 402 HG13 ILE 47 HG13 ILE 47 3.244 6.965 2.285 403 HG21 ILE 47 HG21 ILE 47 3.085 8.824 -0.911 404 HG22 ILE 47 HG22 ILE 47 2.656 7.317 -0.102 405 HG23 ILE 47 HG23 ILE 47 4.330 7.625 -0.564 406 HD11 ILE 47 HD11 ILE 47 5.508 6.170 2.608 407 HD12 ILE 47 HD12 ILE 47 6.142 7.580 1.760 408 HD13 ILE 47 HD13 ILE 47 5.169 6.393 0.892 409 H LYS 48 H LYS 48 6.158 11.022 -0.716 410 HA LYS 48 HA LYS 48 4.139 12.992 -1.370 411 HB2 LYS 48 HB2 LYS 48 6.925 12.540 -2.451 412 HB3 LYS 48 HB3 LYS 48 5.848 13.789 -3.053 413 HG2 LYS 48 HG2 LYS 48 7.042 15.016 -1.574 414 HG3 LYS 48 HG3 LYS 48 5.772 14.445 -0.491 415 HD2 LYS 48 HD2 LYS 48 7.225 12.634 0.265 416 HD3 LYS 48 HD3 LYS 48 8.489 13.183 -0.837 417 HE2 LYS 48 HE2 LYS 48 8.446 15.385 0.351 418 HE3 LYS 48 HE3 LYS 48 7.365 14.657 1.536 419 HZ1 LYS 48 HZ1 LYS 48 10.112 13.726 0.906 420 HZ2 LYS 48 HZ2 LYS 48 9.082 13.044 2.064 421 HZ3 LYS 48 HZ3 LYS 48 9.664 14.625 2.274 422 H ARG 49 H ARG 49 3.514 13.367 -3.620 423 HA ARG 49 HA ARG 49 2.361 11.058 -4.724 424 HB2 ARG 49 HB2 ARG 49 2.765 13.803 -5.915 425 HB3 ARG 49 HB3 ARG 49 1.751 12.550 -6.626 426 HG2 ARG 49 HG2 ARG 49 0.381 12.524 -4.597 427 HG3 ARG 49 HG3 ARG 49 1.380 13.805 -3.917 428 HD2 ARG 49 HD2 ARG 49 0.652 15.360 -5.550 429 HD3 ARG 49 HD3 ARG 49 -0.106 14.091 -6.514 430 HE ARG 49 HE ARG 49 -1.313 14.028 -4.016 431 HH11 ARG 49 HH11 ARG 49 -0.963 16.384 -6.583 432 HH12 ARG 49 HH12 ARG 49 -2.560 17.039 -6.374 433 HH21 ARG 49 HH21 ARG 49 -3.384 14.892 -3.711 434 HH22 ARG 49 HH22 ARG 49 -3.934 16.205 -4.705 435 H THR 50 H THR 50 5.262 12.859 -5.608 436 HA THR 50 HA THR 50 5.850 11.316 -7.917 437 HB THR 50 HB THR 50 8.250 12.198 -7.436 438 HG1 THR 50 HG1 THR 50 6.734 13.924 -5.736 439 HG21 THR 50 HG21 THR 50 5.944 14.065 -7.994 440 HG22 THR 50 HG22 THR 50 6.809 13.085 -9.179 441 HG23 THR 50 HG23 THR 50 7.638 14.401 -8.349 442 H GLU 51 H GLU 51 6.844 11.065 -4.527 443 HA GLU 51 HA GLU 51 8.661 8.940 -4.771 444 HB2 GLU 51 HB2 GLU 51 6.741 9.367 -2.472 445 HB3 GLU 51 HB3 GLU 51 8.291 8.542 -2.417 446 HG2 GLU 51 HG2 GLU 51 8.004 11.454 -3.072 447 HG3 GLU 51 HG3 GLU 51 8.218 10.843 -1.432 448 H TYR 52 H TYR 52 5.202 8.984 -4.141 449 HA TYR 52 HA TYR 52 4.799 6.214 -3.947 450 HB2 TYR 52 HB2 TYR 52 3.238 7.935 -3.118 451 HB3 TYR 52 HB3 TYR 52 2.874 8.398 -4.773 452 HD1 TYR 52 HD2 TYR 52 3.186 4.989 -3.301 453 HD2 TYR 52 HD1 TYR 52 0.631 7.909 -5.035 454 HE1 TYR 52 HE2 TYR 52 1.356 3.351 -3.347 455 HE2 TYR 52 HE1 TYR 52 -1.208 6.281 -5.084 456 HH TYR 52 HH TYR 52 -1.579 3.939 -5.052 457 H GLN 53 H GLN 53 4.661 8.436 -6.698 458 HA GLN 53 HA GLN 53 3.650 6.554 -8.540 459 HB2 GLN 53 HB2 GLN 53 3.556 8.979 -8.937 460 HB3 GLN 53 HB3 GLN 53 5.310 9.018 -9.086 461 HG2 GLN 53 HG2 GLN 53 4.196 9.016 -11.261 462 HG3 GLN 53 HG3 GLN 53 5.215 7.595 -11.031 463 HE21 GLN 53 HE21 GLN 53 4.209 6.192 -12.334 464 HE22 GLN 53 HE22 GLN 53 2.572 5.665 -12.134 465 H LYS 54 H LYS 54 6.966 7.543 -7.733 466 HA LYS 54 HA LYS 54 8.322 5.996 -9.619 467 HB2 LYS 54 HB2 LYS 54 9.001 7.237 -7.037 468 HB3 LYS 54 HB3 LYS 54 10.000 5.857 -7.464 469 HG2 LYS 54 HG2 LYS 54 11.062 7.865 -8.221 470 HG3 LYS 54 HG3 LYS 54 10.514 6.944 -9.622 471 HD2 LYS 54 HD2 LYS 54 8.498 8.399 -9.710 472 HD3 LYS 54 HD3 LYS 54 9.195 9.370 -8.410 473 HE2 LYS 54 HE2 LYS 54 11.194 9.734 -9.872 474 HE3 LYS 54 HE3 LYS 54 10.312 8.940 -11.176 475 HZ1 LYS 54 HZ1 LYS 54 8.538 10.662 -10.810 476 HZ2 LYS 54 HZ2 LYS 54 9.991 11.240 -11.460 477 HZ3 LYS 54 HZ3 LYS 54 9.644 11.488 -9.818 478 H PHE 55 H PHE 55 7.009 5.109 -6.476 479 HA PHE 55 HA PHE 55 7.985 2.462 -6.402 480 HB2 PHE 55 HB2 PHE 55 7.109 3.484 -4.403 481 HB3 PHE 55 HB3 PHE 55 5.540 3.736 -5.157 482 HD1 PHE 55 HD2 PHE 55 7.891 1.023 -4.174 483 HD2 PHE 55 HD1 PHE 55 3.856 2.198 -4.831 484 HE1 PHE 55 HE2 PHE 55 7.120 -1.144 -3.291 485 HE2 PHE 55 HE1 PHE 55 3.075 0.037 -3.954 486 HZ PHE 55 HZ PHE 55 4.710 -1.640 -3.182 487 H LEU 56 H LEU 56 5.012 3.876 -7.692 488 HA LEU 56 HA LEU 56 3.831 1.415 -8.460 489 HB2 LEU 56 HB2 LEU 56 3.328 4.225 -9.430 490 HB3 LEU 56 HB3 LEU 56 2.330 2.843 -9.838 491 HG LEU 56 HG LEU 56 2.745 3.953 -7.061 492 HD11 LEU 56 HD11 LEU 56 0.390 4.598 -7.238 493 HD12 LEU 56 HD12 LEU 56 0.369 4.037 -8.911 494 HD13 LEU 56 HD13 LEU 56 1.385 5.403 -8.452 495 HD21 LEU 56 HD21 LEU 56 2.413 1.533 -7.040 496 HD22 LEU 56 HD22 LEU 56 0.967 1.719 -8.033 497 HD23 LEU 56 HD23 LEU 56 1.003 2.374 -6.396 498 H ASN 57 H ASN 57 5.878 3.746 -10.152 499 HA ASN 57 HA ASN 57 5.747 2.701 -12.727 500 HB2 ASN 57 HB2 ASN 57 8.118 3.906 -11.285 501 HB3 ASN 57 HB3 ASN 57 8.109 3.531 -13.002 502 HD21 ASN 57 HD21 ASN 57 8.512 6.062 -11.756 503 HD22 ASN 57 HD22 ASN 57 7.252 7.115 -12.325 504 H GLU 58 H GLU 58 7.892 1.796 -10.059 505 HA GLU 58 HA GLU 58 9.323 -0.219 -11.400 506 HB2 GLU 58 HB2 GLU 58 9.555 0.951 -9.002 507 HB3 GLU 58 HB3 GLU 58 8.747 -0.526 -8.498 508 HG2 GLU 58 HG2 GLU 58 11.042 -0.930 -8.271 509 HG3 GLU 58 HG3 GLU 58 10.546 -1.784 -9.731 510 H TYR 59 H TYR 59 6.325 -0.260 -9.577 511 HA TYR 59 HA TYR 59 6.055 -3.092 -9.489 512 HB2 TYR 59 HB2 TYR 59 5.000 -1.299 -7.958 513 HB3 TYR 59 HB3 TYR 59 3.786 -1.130 -9.217 514 HD1 TYR 59 HD1 TYR 59 5.165 -3.357 -6.644 515 HD2 TYR 59 HD2 TYR 59 2.130 -2.850 -9.583 516 HE1 TYR 59 HE1 TYR 59 3.924 -5.247 -5.683 517 HE2 TYR 59 HE2 TYR 59 0.884 -4.741 -8.627 518 HH TYR 59 HH TYR 59 1.564 -6.058 -5.609 519 H GLY 60 H GLY 60 4.909 -0.556 -11.646 520 HA2 GLY 60 HA2 GLY 60 3.135 -2.278 -13.120 521 HA3 GLY 60 HA3 GLY 60 3.600 -0.637 -13.548 522 H LEU 61 H LEU 61 6.481 -1.899 -13.109 523 HA LEU 61 HA LEU 61 6.811 -2.664 -15.900 524 HB2 LEU 61 HB2 LEU 61 8.830 -2.311 -13.679 525 HB3 LEU 61 HB3 LEU 61 9.234 -2.705 -15.337 526 HG LEU 61 HG LEU 61 7.875 -0.160 -14.454 527 HD11 LEU 61 HD11 LEU 61 10.026 0.906 -14.945 528 HD12 LEU 61 HD12 LEU 61 10.738 -0.681 -15.237 529 HD13 LEU 61 HD13 LEU 61 10.154 -0.260 -13.626 530 HD21 LEU 61 HD21 LEU 61 7.310 -0.813 -16.734 531 HD22 LEU 61 HD22 LEU 61 9.024 -0.981 -17.119 532 HD23 LEU 61 HD23 LEU 61 8.360 0.604 -16.720 533 H THR 62 H THR 62 6.157 -4.191 -13.004 534 HA THR 62 HA THR 62 7.406 -6.697 -13.917 535 HB THR 62 HB THR 62 7.318 -7.350 -11.454 536 HG1 THR 62 HG1 THR 62 7.445 -4.640 -10.801 537 HG21 THR 62 HG21 THR 62 9.133 -5.077 -12.277 538 HG22 THR 62 HG22 THR 62 9.405 -6.788 -12.607 539 HG23 THR 62 HG23 THR 62 9.421 -6.200 -10.945 540 H HIS 63 H HIS 63 4.547 -5.223 -12.464 541 HA HIS 63 HA HIS 63 3.185 -7.834 -12.563 542 HB2 HIS 63 HB2 HIS 63 2.675 -5.384 -10.873 543 HB3 HIS 63 HB3 HIS 63 1.562 -6.744 -10.962 544 HD1 HIS 63 HD1 HIS 63 5.200 -6.094 -10.003 545 HD2 HIS 63 HD2 HIS 63 2.063 -8.693 -9.152 546 HE1 HIS 63 HE1 HIS 63 6.000 -7.530 -8.099 547 HE2 HIS 63 HE2 HIS 63 4.023 -8.971 -7.487 548 H SER 64 H SER 64 0.753 -7.611 -12.862 549 HA SER 64 HA SER 64 0.299 -6.160 -15.322 550 HB2 SER 64 HB2 SER 64 -1.511 -8.020 -13.762 551 HB3 SER 64 HB3 SER 64 -1.830 -7.397 -15.383 552 HG SER 64 HG SER 64 -0.280 -9.489 -14.610 553 H TYR 65 H TYR 65 -2.235 -5.384 -15.378 554 HA TYR 65 HA TYR 65 -1.986 -2.885 -14.079 555 HB2 TYR 65 HB2 TYR 65 -3.006 -2.986 -16.263 556 HB3 TYR 65 HB3 TYR 65 -4.279 -4.048 -15.666 557 HD1 TYR 65 HD1 TYR 65 -2.872 -0.632 -15.308 558 HD2 TYR 65 HD2 TYR 65 -6.260 -3.148 -14.754 559 HE1 TYR 65 HE1 TYR 65 -4.230 1.335 -14.734 560 HE2 TYR 65 HE2 TYR 65 -7.628 -1.184 -14.188 561 HH TYR 65 HH TYR 65 -6.523 2.044 -14.658 562 H GLU 66 H GLU 66 -4.252 -5.615 -13.552 563 HA GLU 66 HA GLU 66 -5.800 -4.180 -11.670 564 HB2 GLU 66 HB2 GLU 66 -6.538 -6.296 -12.834 565 HB3 GLU 66 HB3 GLU 66 -5.498 -7.181 -11.721 566 HG2 GLU 66 HG2 GLU 66 -6.775 -5.996 -9.858 567 HG3 GLU 66 HG3 GLU 66 -7.941 -5.558 -11.105 568 H THR 67 H THR 67 -2.963 -6.206 -11.393 569 HA THR 67 HA THR 67 -2.924 -6.527 -8.614 570 HB THR 67 HB THR 67 -0.427 -6.261 -10.276 571 HG1 THR 67 HG1 THR 67 -1.322 -8.790 -10.235 572 HG21 THR 67 HG21 THR 67 0.359 -8.058 -8.804 573 HG22 THR 67 HG22 THR 67 -1.207 -8.084 -7.993 574 HG23 THR 67 HG23 THR 67 -0.173 -6.661 -7.867 575 H ILE 68 H ILE 68 -1.364 -4.042 -10.663 576 HA ILE 68 HA ILE 68 -0.382 -2.589 -8.405 577 HB ILE 68 HB ILE 68 0.755 -2.406 -10.555 578 HG12 ILE 68 HG12 ILE 68 -0.445 0.223 -9.651 579 HG13 ILE 68 HG13 ILE 68 0.967 -0.563 -8.951 580 HG21 ILE 68 HG21 ILE 68 -0.195 -1.148 -12.417 581 HG22 ILE 68 HG22 ILE 68 -1.709 -0.971 -11.531 582 HG23 ILE 68 HG23 ILE 68 -1.168 -2.570 -12.043 583 HD11 ILE 68 HD11 ILE 68 2.163 -0.287 -11.059 584 HD12 ILE 68 HD12 ILE 68 1.606 1.258 -10.418 585 HD13 ILE 68 HD13 ILE 68 0.748 0.500 -11.759 586 H ARG 69 H ARG 69 -3.254 -2.454 -10.397 587 HA ARG 69 HA ARG 69 -4.338 -0.020 -9.546 588 HB2 ARG 69 HB2 ARG 69 -5.150 -1.519 -11.419 589 HB3 ARG 69 HB3 ARG 69 -5.909 -2.514 -10.187 590 HG2 ARG 69 HG2 ARG 69 -7.205 -0.509 -9.470 591 HG3 ARG 69 HG3 ARG 69 -6.540 0.347 -10.865 592 HD2 ARG 69 HD2 ARG 69 -7.434 -1.652 -12.229 593 HD3 ARG 69 HD3 ARG 69 -8.411 -1.994 -10.802 594 HE ARG 69 HE ARG 69 -8.568 0.455 -12.433 595 HH11 ARG 69 HH11 ARG 69 -9.964 -1.777 -10.127 596 HH12 ARG 69 HH12 ARG 69 -11.538 -1.045 -10.169 597 HH21 ARG 69 HH21 ARG 69 -10.633 1.410 -12.523 598 HH22 ARG 69 HH22 ARG 69 -11.918 0.784 -11.532 599 H LYS 70 H LYS 70 -4.830 -3.302 -8.278 600 HA LYS 70 HA LYS 70 -6.466 -2.442 -6.123 601 HB2 LYS 70 HB2 LYS 70 -5.327 -4.987 -7.061 602 HB3 LYS 70 HB3 LYS 70 -5.545 -4.884 -5.317 603 HG2 LYS 70 HG2 LYS 70 -7.808 -4.824 -5.455 604 HG3 LYS 70 HG3 LYS 70 -7.801 -3.977 -6.998 605 HD2 LYS 70 HD2 LYS 70 -8.686 -6.215 -7.271 606 HD3 LYS 70 HD3 LYS 70 -7.154 -6.059 -8.126 607 HE2 LYS 70 HE2 LYS 70 -6.000 -7.272 -6.418 608 HE3 LYS 70 HE3 LYS 70 -7.421 -7.253 -5.372 609 HZ1 LYS 70 HZ1 LYS 70 -7.046 -9.386 -6.583 610 HZ2 LYS 70 HZ2 LYS 70 -7.372 -8.571 -8.036 611 HZ3 LYS 70 HZ3 LYS 70 -8.571 -8.696 -6.842 612 H LEU 71 H LEU 71 -3.008 -3.119 -6.435 613 HA LEU 71 HA LEU 71 -2.211 -2.790 -3.796 614 HB2 LEU 71 HB2 LEU 71 -0.579 -3.402 -5.409 615 HB3 LEU 71 HB3 LEU 71 -0.916 -1.992 -6.396 616 HG LEU 71 HG LEU 71 0.020 -0.568 -4.562 617 HD11 LEU 71 HD11 LEU 71 -0.280 -2.138 -2.719 618 HD12 LEU 71 HD12 LEU 71 1.397 -1.609 -2.856 619 HD13 LEU 71 HD13 LEU 71 0.927 -3.209 -3.431 620 HD21 LEU 71 HD21 LEU 71 1.340 -1.123 -6.510 621 HD22 LEU 71 HD22 LEU 71 1.846 -2.640 -5.765 622 HD23 LEU 71 HD23 LEU 71 2.358 -1.102 -5.071 623 H ASN 72 H ASN 72 -2.504 -0.300 -6.310 624 HA ASN 72 HA ASN 72 -2.066 1.937 -4.710 625 HB2 ASN 72 HB2 ASN 72 -2.018 2.147 -7.100 626 HB3 ASN 72 HB3 ASN 72 -3.681 1.592 -7.240 627 HD21 ASN 72 HD21 ASN 72 -5.327 3.009 -6.983 628 HD22 ASN 72 HD22 ASN 72 -5.108 4.706 -6.754 629 H SER 73 H SER 73 -5.021 0.119 -5.337 630 HA SER 73 HA SER 73 -6.799 1.929 -4.120 631 HB2 SER 73 HB2 SER 73 -7.488 0.029 -5.586 632 HB3 SER 73 HB3 SER 73 -7.085 -1.080 -4.277 633 HG SER 73 HG SER 73 -9.107 -0.740 -3.768 634 H TYR 74 H TYR 74 -5.066 -0.906 -2.812 635 HA TYR 74 HA TYR 74 -6.130 -0.835 -0.223 636 HB2 TYR 74 HB2 TYR 74 -3.300 -1.625 -0.949 637 HB3 TYR 74 HB3 TYR 74 -4.198 -2.127 0.477 638 HD1 TYR 74 HD2 TYR 74 -6.842 -2.647 -1.132 639 HD2 TYR 74 HD1 TYR 74 -2.793 -3.842 -1.664 640 HE1 TYR 74 HE2 TYR 74 -7.595 -4.654 -2.343 641 HE2 TYR 74 HE1 TYR 74 -3.532 -5.842 -2.876 642 HH TYR 74 HH TYR 74 -5.520 -7.254 -3.060 643 H ILE 75 H ILE 75 -3.197 0.676 -1.519 644 HA ILE 75 HA ILE 75 -2.403 1.975 0.847 645 HB ILE 75 HB ILE 75 -1.862 2.677 -2.043 646 HG12 ILE 75 HG12 ILE 75 -0.204 1.198 0.014 647 HG13 ILE 75 HG13 ILE 75 -1.075 0.451 -1.321 648 HG21 ILE 75 HG21 ILE 75 0.019 4.004 -1.210 649 HG22 ILE 75 HG22 ILE 75 -0.492 3.685 0.447 650 HG23 ILE 75 HG23 ILE 75 -1.524 4.629 -0.625 651 HD11 ILE 75 HD11 ILE 75 1.191 2.410 -1.596 652 HD12 ILE 75 HD12 ILE 75 0.343 1.602 -2.914 653 HD13 ILE 75 HD13 ILE 75 1.313 0.660 -1.780 654 H ARG 76 H ARG 76 -4.428 3.010 -1.852 655 HA ARG 76 HA ARG 76 -4.978 5.628 -1.076 656 HB2 ARG 76 HB2 ARG 76 -5.634 4.762 -3.238 657 HB3 ARG 76 HB3 ARG 76 -6.708 3.592 -2.487 658 HG2 ARG 76 HG2 ARG 76 -7.999 5.569 -1.575 659 HG3 ARG 76 HG3 ARG 76 -7.042 6.568 -2.674 660 HD2 ARG 76 HD2 ARG 76 -9.225 5.887 -3.626 661 HD3 ARG 76 HD3 ARG 76 -7.848 5.327 -4.577 662 HE ARG 76 HE ARG 76 -8.195 3.124 -3.648 663 HH11 ARG 76 HH11 ARG 76 -10.782 5.423 -3.154 664 HH12 ARG 76 HH12 ARG 76 -11.989 4.203 -2.870 665 HH21 ARG 76 HH21 ARG 76 -9.763 1.512 -3.278 666 HH22 ARG 76 HH22 ARG 76 -11.400 1.976 -2.911 667 H ASN 77 H ASN 77 -6.710 2.622 -0.244 668 HA ASN 77 HA ASN 77 -8.640 3.851 1.409 669 HB2 ASN 77 HB2 ASN 77 -7.615 1.024 1.246 670 HB3 ASN 77 HB3 ASN 77 -8.832 1.498 2.421 671 HD21 ASN 77 HD21 ASN 77 -10.893 2.082 1.710 672 HD22 ASN 77 HD22 ASN 77 -11.449 1.682 0.114 673 H ALA 78 H ALA 78 -5.400 2.658 2.024 674 HA ALA 78 HA ALA 78 -5.534 2.753 4.854 675 HB1 ALA 78 HB1 ALA 78 -3.117 2.570 4.800 676 HB2 ALA 78 HB2 ALA 78 -3.105 2.969 3.080 677 HB3 ALA 78 HB3 ALA 78 -3.844 1.464 3.632 678 H PHE 79 H PHE 79 -4.395 5.101 2.426 679 HA PHE 79 HA PHE 79 -3.716 7.103 4.323 680 HB2 PHE 79 HB2 PHE 79 -4.191 7.086 1.372 681 HB3 PHE 79 HB3 PHE 79 -4.157 8.632 2.213 682 HD1 PHE 79 HD2 PHE 79 -2.122 9.169 3.624 683 HD2 PHE 79 HD1 PHE 79 -2.205 6.033 0.754 684 HE1 PHE 79 HE2 PHE 79 0.335 9.181 3.553 685 HE2 PHE 79 HE1 PHE 79 0.256 6.035 0.675 686 HZ PHE 79 HZ PHE 79 1.529 7.612 2.075 687 H ASP 80 H ASP 80 -6.652 6.342 2.551 688 HA ASP 80 HA ASP 80 -8.150 8.607 3.317 689 HB2 ASP 80 HB2 ASP 80 -8.711 6.946 1.488 690 HB3 ASP 80 HB3 ASP 80 -9.246 5.848 2.754 691 H ASP 81 H ASP 81 -7.685 5.431 4.783 692 HA ASP 81 HA ASP 81 -9.361 5.698 7.009 693 HB2 ASP 81 HB2 ASP 81 -8.317 3.572 6.498 694 HB3 ASP 81 HB3 ASP 81 -6.711 4.265 6.692 695 H ALA 82 H ALA 82 -5.901 6.423 6.687 696 HA ALA 82 HA ALA 82 -5.466 7.478 9.231 697 HB1 ALA 82 HB1 ALA 82 -3.466 8.506 8.268 698 HB2 ALA 82 HB2 ALA 82 -4.076 8.190 6.645 699 HB3 ALA 82 HB3 ALA 82 -3.666 6.846 7.710 700 H ILE 83 H ILE 83 -6.286 9.215 6.202 701 HA ILE 83 HA ILE 83 -6.183 11.776 7.397 702 HB ILE 83 HB ILE 83 -6.051 11.348 4.945 703 HG12 ILE 83 HG12 ILE 83 -8.131 13.343 5.855 704 HG13 ILE 83 HG13 ILE 83 -6.391 13.606 5.835 705 HG21 ILE 83 HG21 ILE 83 -7.879 9.788 4.674 706 HG22 ILE 83 HG22 ILE 83 -8.151 11.206 3.658 707 HG23 ILE 83 HG23 ILE 83 -9.038 11.019 5.174 708 HD11 ILE 83 HD11 ILE 83 -8.133 13.154 3.422 709 HD12 ILE 83 HD12 ILE 83 -6.390 13.433 3.406 710 HD13 ILE 83 HD13 ILE 83 -7.481 14.702 3.963 711 H HIS 84 H HIS 84 -8.769 9.435 7.017 712 HA HIS 84 HA HIS 84 -10.902 11.161 7.717 713 HB2 HIS 84 HB2 HIS 84 -11.137 8.934 6.582 714 HB3 HIS 84 HB3 HIS 84 -10.750 8.167 8.119 715 HD1 HIS 84 HD1 HIS 84 -12.561 8.203 9.962 716 HD2 HIS 84 HD2 HIS 84 -13.688 10.033 6.397 717 HE1 HIS 84 HE1 HIS 84 -15.054 8.528 10.122 718 HE2 HIS 84 HE2 HIS 84 -15.719 9.639 7.961 719 H GLU 85 H GLU 85 -8.544 9.387 9.533 720 HA GLU 85 HA GLU 85 -10.045 9.785 12.014 721 HB2 GLU 85 HB2 GLU 85 -7.436 8.324 11.569 722 HB3 GLU 85 HB3 GLU 85 -8.366 8.351 13.062 723 HG2 GLU 85 HG2 GLU 85 -9.166 7.115 10.440 724 HG3 GLU 85 HG3 GLU 85 -8.764 6.277 11.937 725 H GLY 86 H GLY 86 -7.981 11.528 10.179 726 HA2 GLY 86 HA2 GLY 86 -7.014 13.577 10.669 727 HA3 GLY 86 HA3 GLY 86 -7.373 13.305 12.368 728 H TYR 87 H TYR 87 -5.724 10.821 10.665 729 HA TYR 87 HA TYR 87 -3.439 11.016 12.372 730 HB2 TYR 87 HB2 TYR 87 -4.555 8.946 11.149 731 HB3 TYR 87 HB3 TYR 87 -3.429 9.380 9.869 732 HD1 TYR 87 HD1 TYR 87 -0.923 9.651 10.624 733 HD2 TYR 87 HD2 TYR 87 -3.882 7.521 12.805 734 HE1 TYR 87 HE1 TYR 87 0.845 8.400 11.787 735 HE2 TYR 87 HE2 TYR 87 -2.124 6.267 13.985 736 HH TYR 87 HH TYR 87 0.193 5.642 13.713 737 H VAL 88 H VAL 88 -3.979 11.432 8.892 738 HA VAL 88 HA VAL 88 -1.769 13.351 8.816 739 HB VAL 88 HB VAL 88 -0.990 12.453 6.642 740 HG11 VAL 88 HG11 VAL 88 0.213 11.849 8.655 741 HG12 VAL 88 HG12 VAL 88 0.197 10.492 7.528 742 HG13 VAL 88 HG13 VAL 88 -0.878 10.489 8.925 743 HG21 VAL 88 HG21 VAL 88 -1.647 10.202 5.938 744 HG22 VAL 88 HG22 VAL 88 -3.030 11.296 5.957 745 HG23 VAL 88 HG23 VAL 88 -2.813 10.126 7.259 746 H ILE 89 H ILE 89 -1.775 14.158 6.309 747 HA ILE 89 HA ILE 89 -4.541 14.634 5.455 748 HB ILE 89 HB ILE 89 -3.767 16.550 6.872 749 HG12 ILE 89 HG12 ILE 89 -4.355 18.348 5.251 750 HG13 ILE 89 HG13 ILE 89 -4.229 17.172 3.949 751 HG21 ILE 89 HG21 ILE 89 -1.743 16.963 4.679 752 HG22 ILE 89 HG22 ILE 89 -1.399 16.465 6.336 753 HG23 ILE 89 HG23 ILE 89 -2.058 18.069 6.017 754 HD11 ILE 89 HD11 ILE 89 -6.054 15.887 4.930 755 HD12 ILE 89 HD12 ILE 89 -6.542 17.546 4.580 756 HD13 ILE 89 HD13 ILE 89 -6.180 17.064 6.237 757 H LYS 90 H LYS 90 -2.190 13.006 4.603 758 HA LYS 90 HA LYS 90 -1.239 14.346 2.188 759 HB2 LYS 90 HB2 LYS 90 -0.336 11.709 3.364 760 HB3 LYS 90 HB3 LYS 90 0.482 12.650 2.124 761 HG2 LYS 90 HG2 LYS 90 0.072 13.522 4.979 762 HG3 LYS 90 HG3 LYS 90 1.560 12.841 4.319 763 HD2 LYS 90 HD2 LYS 90 0.242 15.370 3.336 764 HD3 LYS 90 HD3 LYS 90 1.587 15.317 4.478 765 HE2 LYS 90 HE2 LYS 90 3.006 14.285 2.830 766 HE3 LYS 90 HE3 LYS 90 1.659 14.148 1.699 767 HZ1 LYS 90 HZ1 LYS 90 3.085 16.029 1.179 768 HZ2 LYS 90 HZ2 LYS 90 2.801 16.697 2.711 769 HZ3 LYS 90 HZ3 LYS 90 1.525 16.544 1.599 770 H ASN 91 H ASN 91 -2.244 13.971 0.331 771 HA ASN 91 HA ASN 91 -3.242 11.243 -0.171 772 HB2 ASN 91 HB2 ASN 91 -4.458 13.882 -0.959 773 HB3 ASN 91 HB3 ASN 91 -4.813 12.410 -1.856 774 HD21 ASN 91 HD21 ASN 91 -5.962 10.749 -0.839 775 HD22 ASN 91 HD22 ASN 91 -6.905 11.028 0.583 776 HA PRO 92 HA PRO 92 -0.117 12.001 -3.385 777 HB2 PRO 92 HB2 PRO 92 1.172 9.674 -3.174 778 HB3 PRO 92 HB3 PRO 92 1.414 10.962 -1.986 779 HG2 PRO 92 HG2 PRO 92 -0.208 8.467 -1.777 780 HG3 PRO 92 HG3 PRO 92 0.770 9.276 -0.542 781 HD2 PRO 92 HD2 PRO 92 -2.003 9.486 -0.824 782 HD3 PRO 92 HD3 PRO 92 -0.970 10.589 0.104 783 H THR 93 H THR 93 -2.771 10.039 -3.090 784 HA THR 93 HA THR 93 -2.280 8.129 -5.143 785 HB THR 93 HB THR 93 -4.819 7.750 -4.858 786 HG1 THR 93 HG1 THR 93 -5.726 9.283 -3.709 787 HG21 THR 93 HG21 THR 93 -3.089 6.323 -3.857 788 HG22 THR 93 HG22 THR 93 -4.458 6.537 -2.763 789 HG23 THR 93 HG23 THR 93 -2.964 7.436 -2.494 790 H TYR 94 H TYR 94 -3.336 11.388 -5.228 791 HA TYR 94 HA TYR 94 -5.068 11.346 -7.425 792 HB2 TYR 94 HB2 TYR 94 -4.966 13.403 -6.283 793 HB3 TYR 94 HB3 TYR 94 -3.207 13.469 -6.371 794 HD1 TYR 94 HD2 TYR 94 -6.301 13.754 -8.407 795 HD2 TYR 94 HD1 TYR 94 -2.119 14.509 -8.195 796 HE1 TYR 94 HE2 TYR 94 -6.440 15.081 -10.473 797 HE2 TYR 94 HE1 TYR 94 -2.241 15.828 -10.263 798 HH TYR 94 HH TYR 94 -5.204 16.819 -11.657 799 H LYS 95 H LYS 95 -1.532 11.805 -7.367 800 HA LYS 95 HA LYS 95 -1.515 11.952 -10.265 801 HB2 LYS 95 HB2 LYS 95 -0.159 13.459 -8.693 802 HB3 LYS 95 HB3 LYS 95 0.902 12.073 -8.476 803 HG2 LYS 95 HG2 LYS 95 1.711 13.664 -10.178 804 HG3 LYS 95 HG3 LYS 95 1.427 12.044 -10.823 805 HD2 LYS 95 HD2 LYS 95 -0.748 12.774 -11.686 806 HD3 LYS 95 HD3 LYS 95 -0.458 14.391 -11.045 807 HE2 LYS 95 HE2 LYS 95 1.479 14.631 -12.500 808 HE3 LYS 95 HE3 LYS 95 1.219 13.005 -13.132 809 HZ1 LYS 95 HZ1 LYS 95 -0.719 15.245 -13.354 810 HZ2 LYS 95 HZ2 LYS 95 -0.882 13.703 -14.044 811 HZ3 LYS 95 HZ3 LYS 95 0.330 14.750 -14.589 812 H ALA 96 H ALA 96 -1.814 9.489 -8.351 813 HA ALA 96 HA ALA 96 0.308 7.761 -9.204 814 HB1 ALA 96 HB1 ALA 96 -0.799 7.447 -7.046 815 HB2 ALA 96 HB2 ALA 96 -0.957 6.012 -8.059 816 HB3 ALA 96 HB3 ALA 96 -2.320 7.115 -7.870 817 H GLU 97 H GLU 97 0.307 7.685 -11.429 818 HA GLU 97 HA GLU 97 -2.144 6.822 -12.753 819 HB2 GLU 97 HB2 GLU 97 -0.877 7.115 -14.866 820 HB3 GLU 97 HB3 GLU 97 -0.990 8.579 -13.908 821 HG2 GLU 97 HG2 GLU 97 1.268 8.458 -13.263 822 HG3 GLU 97 HG3 GLU 97 1.415 6.790 -13.825 823 H LEU 98 H LEU 98 -2.566 4.792 -13.061 824 HA LEU 98 HA LEU 98 -0.612 2.791 -12.375 825 HB2 LEU 98 HB2 LEU 98 -3.451 2.480 -13.347 826 HB3 LEU 98 HB3 LEU 98 -2.464 1.222 -12.624 827 HG LEU 98 HG LEU 98 -3.272 3.744 -11.182 828 HD11 LEU 98 HD11 LEU 98 -4.903 2.344 -10.005 829 HD12 LEU 98 HD12 LEU 98 -4.521 1.003 -11.086 830 HD13 LEU 98 HD13 LEU 98 -5.260 2.471 -11.727 831 HD21 LEU 98 HD21 LEU 98 -2.090 1.144 -10.222 832 HD22 LEU 98 HD22 LEU 98 -2.603 2.480 -9.193 833 HD23 LEU 98 HD23 LEU 98 -1.262 2.698 -10.316 834 H HIS 99 H HIS 99 0.832 3.331 -14.166 835 HA HIS 99 HA HIS 99 -0.074 2.412 -16.787 836 HB2 HIS 99 HB2 HIS 99 1.156 4.571 -16.624 837 HB3 HIS 99 HB3 HIS 99 2.562 3.693 -16.030 838 HD1 HIS 99 HD1 HIS 99 4.062 2.585 -17.739 839 HD2 HIS 99 HD2 HIS 99 0.519 4.041 -19.377 840 HE1 HIS 99 HE1 HIS 99 4.328 2.389 -20.233 841 HE2 HIS 99 HE2 HIS 99 2.106 3.093 -21.191 842 H ALA 100 H ALA 100 -0.020 0.255 -16.895 843 HA ALA 100 HA ALA 100 2.281 -1.183 -15.810 844 HB1 ALA 100 HB1 ALA 100 0.073 -2.062 -15.267 845 HB2 ALA 100 HB2 ALA 100 0.983 -3.209 -16.249 846 HB3 ALA 100 HB3 ALA 100 -0.292 -2.237 -16.983 847 H SER 101 H SER 101 3.933 -0.904 -17.184 848 HA SER 101 HA SER 101 3.711 -0.743 -19.998 849 HB2 SER 101 HB2 SER 101 5.595 0.207 -18.714 850 HB3 SER 101 HB3 SER 101 6.126 -1.420 -18.293 851 HG SER 101 HG SER 101 5.810 -0.651 -20.997 852 H VAL 102 H VAL 102 3.715 -3.356 -17.829 853 HA VAL 102 HA VAL 102 4.847 -5.406 -19.377 854 HB VAL 102 HB VAL 102 2.657 -5.627 -17.307 855 HG11 VAL 102 HG11 VAL 102 3.511 -7.907 -16.967 856 HG12 VAL 102 HG12 VAL 102 4.624 -7.680 -18.316 857 HG13 VAL 102 HG13 VAL 102 2.883 -7.668 -18.597 858 HG21 VAL 102 HG21 VAL 102 4.553 -4.433 -16.411 859 HG22 VAL 102 HG22 VAL 102 5.652 -5.685 -16.992 860 HG23 VAL 102 HG23 VAL 102 4.485 -6.055 -15.721 861 H LEU 103 H LEU 103 1.645 -3.955 -19.434 862 HA LEU 103 HA LEU 103 0.894 -5.857 -21.529 863 HB2 LEU 103 HB2 LEU 103 -1.457 -5.772 -20.566 864 HB3 LEU 103 HB3 LEU 103 -0.263 -6.751 -19.741 865 HG LEU 103 HG LEU 103 0.048 -4.835 -18.130 866 HD11 LEU 103 HD11 LEU 103 -1.682 -3.165 -17.982 867 HD12 LEU 103 HD12 LEU 103 -2.503 -3.852 -19.386 868 HD13 LEU 103 HD13 LEU 103 -0.920 -3.098 -19.574 869 HD21 LEU 103 HD21 LEU 103 -1.979 -5.385 -16.877 870 HD22 LEU 103 HD22 LEU 103 -1.218 -6.817 -17.571 871 HD23 LEU 103 HD23 LEU 103 -2.657 -6.133 -18.323 872 H GLU 104 H GLU 104 1.818 -3.039 -21.625 873 HA GLU 104 HA GLU 104 -0.434 -1.425 -22.283 874 HB2 GLU 104 HB2 GLU 104 1.662 -0.391 -21.605 875 HB3 GLU 104 HB3 GLU 104 2.483 -1.087 -22.996 876 HG2 GLU 104 HG2 GLU 104 1.324 0.305 -24.504 877 HG3 GLU 104 HG3 GLU 104 0.165 0.799 -23.272 878 H HIS 105 H HIS 105 -1.747 -2.051 -23.832 879 HA HIS 105 HA HIS 105 -0.649 -3.152 -26.328 880 HB2 HIS 105 HB2 HIS 105 -2.229 -4.628 -25.272 881 HB3 HIS 105 HB3 HIS 105 -3.395 -3.329 -25.069 882 HD1 HIS 105 HD1 HIS 105 -1.870 -5.506 -27.769 883 HD2 HIS 105 HD2 HIS 105 -5.126 -2.979 -27.169 884 HE1 HIS 105 HE1 HIS 105 -3.348 -5.811 -29.780 885 HE2 HIS 105 HE2 HIS 105 -5.251 -4.189 -29.455 886 H HIS 106 H HIS 106 -0.832 -2.056 -28.197 887 HA HIS 106 HA HIS 106 -1.870 0.643 -28.067 888 HB2 HIS 106 HB2 HIS 106 0.309 0.110 -29.166 889 HB3 HIS 106 HB3 HIS 106 -0.570 -0.789 -30.396 890 HD1 HIS 106 HD1 HIS 106 0.296 2.667 -29.318 891 HD2 HIS 106 HD2 HIS 106 -1.985 0.802 -32.251 892 HE1 HIS 106 HE1 HIS 106 -0.215 4.449 -31.016 893 HE2 HIS 106 HE2 HIS 106 -1.397 3.239 -32.886 894 H HIS 107 H HIS 107 -2.195 -1.796 -30.641 895 HA HIS 107 HA HIS 107 -4.942 -2.067 -30.760 896 HB2 HIS 107 HB2 HIS 107 -4.904 0.448 -31.053 897 HB3 HIS 107 HB3 HIS 107 -4.027 0.204 -32.557 898 HD1 HIS 107 HD1 HIS 107 -5.412 -0.141 -34.614 899 HD2 HIS 107 HD2 HIS 107 -7.599 -0.679 -31.113 900 HE1 HIS 107 HE1 HIS 107 -7.805 -0.419 -35.339 901 HE2 HIS 107 HE2 HIS 107 -9.072 -0.929 -33.224 902 H HIS 108 H HIS 108 -5.565 -3.232 -32.702 903 HA HIS 108 HA HIS 108 -3.576 -4.670 -34.040 904 HB2 HIS 108 HB2 HIS 108 -6.402 -4.024 -34.910 905 HB3 HIS 108 HB3 HIS 108 -5.352 -5.140 -35.775 906 HD1 HIS 108 HD1 HIS 108 -5.515 -7.513 -35.080 907 HD2 HIS 108 HD2 HIS 108 -6.885 -4.915 -32.136 908 HE1 HIS 108 HE1 HIS 108 -6.425 -8.978 -33.248 909 HE2 HIS 108 HE2 HIS 108 -7.432 -7.381 -31.578 910 H HIS 109 H HIS 109 -2.078 -3.984 -35.442 911 HA HIS 109 HA HIS 109 -2.642 -1.628 -37.082 912 HB2 HIS 109 HB2 HIS 109 -0.722 -0.406 -36.275 913 HB3 HIS 109 HB3 HIS 109 -1.728 -0.829 -34.896 914 HD1 HIS 109 HD1 HIS 109 1.614 -1.564 -36.457 915 HD2 HIS 109 HD2 HIS 109 -0.575 -2.631 -33.077 916 HE1 HIS 109 HE1 HIS 109 3.235 -2.734 -34.933 917 HE2 HIS 109 HE2 HIS 109 1.904 -3.344 -32.879 918 H HIS 110 H HIS 110 -1.308 -1.367 -38.856 919 HA HIS 110 HA HIS 110 0.691 -3.438 -39.353 920 HB2 HIS 110 HB2 HIS 110 -0.320 -1.172 -41.088 921 HB3 HIS 110 HB3 HIS 110 0.950 -2.288 -41.569 922 HD1 HIS 110 HD1 HIS 110 -0.254 -4.963 -40.765 923 HD2 HIS 110 HD2 HIS 110 -2.421 -1.924 -42.607 924 HE1 HIS 110 HE1 HIS 110 -2.186 -6.100 -41.908 925 HE2 HIS 110 HE2 HIS 110 -3.367 -4.267 -43.170 Start of MODEL 7 1 H1 MET 1 H1 MET 1 6.885 8.191 15.475 2 H2 MET 1 H2 MET 1 6.648 9.832 15.127 3 H3 MET 1 H3 MET 1 7.647 8.888 14.129 4 HA MET 1 HA MET 1 4.740 8.486 14.505 5 HB2 MET 1 HB2 MET 1 6.044 10.451 13.004 6 HB3 MET 1 HB3 MET 1 5.627 9.208 11.833 7 HG2 MET 1 HG2 MET 1 3.658 10.424 13.753 8 HG3 MET 1 HG3 MET 1 3.931 11.016 12.117 9 HE1 MET 1 HE1 MET 1 3.173 9.825 9.954 10 HE2 MET 1 HE2 MET 1 2.624 8.150 9.883 11 HE3 MET 1 HE3 MET 1 4.288 8.512 10.338 12 H ILE 2 H ILE 2 3.862 7.004 12.862 13 HA ILE 2 HA ILE 2 5.521 4.652 12.781 14 HB ILE 2 HB ILE 2 3.134 4.525 13.397 15 HG12 ILE 2 HG12 ILE 2 2.539 2.586 11.953 16 HG13 ILE 2 HG13 ILE 2 3.885 2.998 10.896 17 HG21 ILE 2 HG21 ILE 2 1.414 4.674 11.639 18 HG22 ILE 2 HG22 ILE 2 2.642 5.270 10.521 19 HG23 ILE 2 HG23 ILE 2 2.213 6.215 11.946 20 HD11 ILE 2 HD11 ILE 2 5.443 2.614 12.738 21 HD12 ILE 2 HD12 ILE 2 4.469 1.184 12.393 22 HD13 ILE 2 HD13 ILE 2 4.089 2.194 13.789 23 H THR 3 H THR 3 6.312 3.599 11.028 24 HA THR 3 HA THR 3 6.792 5.040 8.624 25 HB THR 3 HB THR 3 7.544 2.570 7.957 26 HG1 THR 3 HG1 THR 3 7.735 1.229 9.657 27 HG21 THR 3 HG21 THR 3 8.967 4.290 9.993 28 HG22 THR 3 HG22 THR 3 9.067 4.451 8.240 29 HG23 THR 3 HG23 THR 3 9.716 3.016 9.032 30 H PHE 4 H PHE 4 6.021 4.583 6.525 31 HA PHE 4 HA PHE 4 3.272 4.059 6.350 32 HB2 PHE 4 HB2 PHE 4 4.493 5.411 4.701 33 HB3 PHE 4 HB3 PHE 4 5.351 3.976 4.151 34 HD1 PHE 4 HD1 PHE 4 1.755 4.650 4.887 35 HD2 PHE 4 HD2 PHE 4 4.660 3.437 2.028 36 HE1 PHE 4 HE1 PHE 4 -0.037 4.223 3.257 37 HE2 PHE 4 HE2 PHE 4 2.873 3.009 0.393 38 HZ PHE 4 HZ PHE 4 0.523 3.399 1.006 39 H ALA 5 H ALA 5 6.064 1.994 5.753 40 HA ALA 5 HA ALA 5 4.717 -0.214 4.668 41 HB1 ALA 5 HB1 ALA 5 6.715 -1.483 5.218 42 HB2 ALA 5 HB2 ALA 5 7.259 -0.193 6.290 43 HB3 ALA 5 HB3 ALA 5 7.149 0.091 4.551 44 H ASP 6 H ASP 6 5.787 0.370 8.009 45 HA ASP 6 HA ASP 6 4.660 -2.019 9.018 46 HB2 ASP 6 HB2 ASP 6 5.611 0.490 10.399 47 HB3 ASP 6 HB3 ASP 6 5.035 -0.928 11.268 48 H TYR 7 H TYR 7 3.423 1.222 8.601 49 HA TYR 7 HA TYR 7 1.107 0.878 10.219 50 HB2 TYR 7 HB2 TYR 7 1.886 3.118 9.601 51 HB3 TYR 7 HB3 TYR 7 1.591 2.769 7.900 52 HD1 TYR 7 HD2 TYR 7 -0.085 3.211 11.180 53 HD2 TYR 7 HD1 TYR 7 -0.551 3.092 6.949 54 HE1 TYR 7 HE2 TYR 7 -2.386 4.042 11.414 55 HE2 TYR 7 HE1 TYR 7 -2.854 3.926 7.174 56 HH TYR 7 HH TYR 7 -4.642 3.967 8.907 57 H PHE 8 H PHE 8 1.795 0.439 6.784 58 HA PHE 8 HA PHE 8 -0.779 -0.037 5.857 59 HB2 PHE 8 HB2 PHE 8 1.199 0.251 4.395 60 HB3 PHE 8 HB3 PHE 8 1.784 -1.335 4.894 61 HD1 PHE 8 HD2 PHE 8 -0.969 0.409 3.141 62 HD2 PHE 8 HD1 PHE 8 1.023 -3.290 3.830 63 HE1 PHE 8 HE2 PHE 8 -2.267 -0.623 1.323 64 HE2 PHE 8 HE1 PHE 8 -0.272 -4.331 2.014 65 HZ PHE 8 HZ PHE 8 -1.919 -2.996 0.758 66 H TYR 9 H TYR 9 1.627 -2.382 7.035 67 HA TYR 9 HA TYR 9 -0.075 -4.618 6.715 68 HB2 TYR 9 HB2 TYR 9 2.430 -4.727 6.931 69 HB3 TYR 9 HB3 TYR 9 2.234 -4.400 8.652 70 HD1 TYR 9 HD1 TYR 9 1.608 -6.848 5.974 71 HD2 TYR 9 HD2 TYR 9 1.474 -6.102 10.159 72 HE1 TYR 9 HE1 TYR 9 1.250 -9.244 6.385 73 HE2 TYR 9 HE2 TYR 9 1.118 -8.492 10.585 74 HH TYR 9 HH TYR 9 1.555 -10.874 8.169 75 H GLN 10 H GLN 10 0.625 -2.520 9.480 76 HA GLN 10 HA GLN 10 -0.792 -3.947 11.428 77 HB2 GLN 10 HB2 GLN 10 0.745 -2.049 11.893 78 HB3 GLN 10 HB3 GLN 10 -0.448 -0.947 11.221 79 HG2 GLN 10 HG2 GLN 10 -2.027 -1.616 12.982 80 HG3 GLN 10 HG3 GLN 10 -0.788 -2.664 13.671 81 HE21 GLN 10 HE21 GLN 10 -2.139 -0.419 14.905 82 HE22 GLN 10 HE22 GLN 10 -0.910 0.721 15.337 83 H TRP 11 H TRP 11 -1.821 -1.201 9.429 84 HA TRP 11 HA TRP 11 -4.464 -1.003 10.239 85 HB2 TRP 11 HB2 TRP 11 -3.693 0.748 8.911 86 HB3 TRP 11 HB3 TRP 11 -2.978 -0.331 7.723 87 HD1 TRP 11 HD1 TRP 11 -6.465 0.954 8.805 88 HE1 TRP 11 HE1 TRP 11 -8.004 0.894 6.738 89 HE3 TRP 11 HE3 TRP 11 -3.275 -1.273 5.491 90 HZ2 TRP 11 HZ2 TRP 11 -7.867 0.018 4.058 91 HZ3 TRP 11 HZ3 TRP 11 -4.057 -1.684 3.195 92 HH2 TRP 11 HH2 TRP 11 -6.308 -1.049 2.496 93 H TYR 12 H TYR 12 -3.082 -2.983 7.635 94 HA TYR 12 HA TYR 12 -5.509 -4.143 6.800 95 HB2 TYR 12 HB2 TYR 12 -3.720 -4.353 5.293 96 HB3 TYR 12 HB3 TYR 12 -2.620 -4.934 6.538 97 HD1 TYR 12 HD2 TYR 12 -5.801 -5.951 4.838 98 HD2 TYR 12 HD1 TYR 12 -2.127 -7.173 6.596 99 HE1 TYR 12 HE2 TYR 12 -6.277 -8.266 4.207 100 HE2 TYR 12 HE1 TYR 12 -2.595 -9.499 5.970 101 HH TYR 12 HH TYR 12 -5.099 -10.346 3.820 102 H GLU 13 H GLU 13 -3.012 -5.306 9.034 103 HA GLU 13 HA GLU 13 -4.112 -7.817 9.581 104 HB2 GLU 13 HB2 GLU 13 -1.786 -6.748 10.118 105 HB3 GLU 13 HB3 GLU 13 -2.550 -6.268 11.623 106 HG2 GLU 13 HG2 GLU 13 -2.608 -9.119 10.735 107 HG3 GLU 13 HG3 GLU 13 -1.182 -8.449 11.520 108 H VAL 14 H VAL 14 -4.747 -4.667 11.006 109 HA VAL 14 HA VAL 14 -6.326 -5.718 13.162 110 HB VAL 14 HB VAL 14 -6.069 -2.898 12.106 111 HG11 VAL 14 HG11 VAL 14 -7.101 -2.178 14.203 112 HG12 VAL 14 HG12 VAL 14 -7.362 -3.863 14.656 113 HG13 VAL 14 HG13 VAL 14 -8.201 -3.183 13.260 114 HG21 VAL 14 HG21 VAL 14 -4.004 -3.810 13.038 115 HG22 VAL 14 HG22 VAL 14 -4.854 -4.219 14.529 116 HG23 VAL 14 HG23 VAL 14 -4.660 -2.531 14.057 117 H ASN 15 H ASN 15 -6.985 -4.594 9.895 118 HA ASN 15 HA ASN 15 -9.853 -4.572 10.559 119 HB2 ASN 15 HB2 ASN 15 -8.206 -2.800 8.847 120 HB3 ASN 15 HB3 ASN 15 -9.844 -3.146 8.295 121 HD21 ASN 15 HD21 ASN 15 -8.592 -0.667 9.337 122 HD22 ASN 15 HD22 ASN 15 -9.595 -0.174 10.660 123 H LYS 16 H LYS 16 -7.880 -5.032 7.604 124 HA LYS 16 HA LYS 16 -10.152 -6.291 6.351 125 HB2 LYS 16 HB2 LYS 16 -7.399 -6.202 5.158 126 HB3 LYS 16 HB3 LYS 16 -8.954 -6.167 4.344 127 HG2 LYS 16 HG2 LYS 16 -7.758 -3.938 5.972 128 HG3 LYS 16 HG3 LYS 16 -7.838 -4.020 4.214 129 HD2 LYS 16 HD2 LYS 16 -10.295 -4.001 4.337 130 HD3 LYS 16 HD3 LYS 16 -10.199 -3.897 6.097 131 HE2 LYS 16 HE2 LYS 16 -8.985 -1.770 5.888 132 HE3 LYS 16 HE3 LYS 16 -9.117 -1.873 4.135 133 HZ1 LYS 16 HZ1 LYS 16 -10.799 -0.421 4.958 134 HZ2 LYS 16 HZ2 LYS 16 -11.346 -1.568 6.075 135 HZ3 LYS 16 HZ3 LYS 16 -11.563 -1.835 4.411 136 H LEU 17 H LEU 17 -7.492 -7.356 8.153 137 HA LEU 17 HA LEU 17 -6.471 -9.560 6.976 138 HB2 LEU 17 HB2 LEU 17 -5.731 -8.641 9.117 139 HB3 LEU 17 HB3 LEU 17 -7.154 -9.305 9.897 140 HG LEU 17 HG LEU 17 -6.332 -11.591 9.168 141 HD11 LEU 17 HD11 LEU 17 -3.945 -11.789 8.691 142 HD12 LEU 17 HD12 LEU 17 -3.807 -10.031 8.659 143 HD13 LEU 17 HD13 LEU 17 -4.781 -10.861 7.445 144 HD21 LEU 17 HD21 LEU 17 -4.739 -11.758 11.012 145 HD22 LEU 17 HD22 LEU 17 -6.155 -10.808 11.464 146 HD23 LEU 17 HD23 LEU 17 -4.635 -9.998 11.080 147 HA PRO 18 HA PRO 18 -9.600 -12.676 8.656 148 HB2 PRO 18 HB2 PRO 18 -11.893 -11.498 9.897 149 HB3 PRO 18 HB3 PRO 18 -10.604 -12.433 10.655 150 HG2 PRO 18 HG2 PRO 18 -11.074 -9.737 11.068 151 HG3 PRO 18 HG3 PRO 18 -9.548 -10.572 11.404 152 HD2 PRO 18 HD2 PRO 18 -10.307 -8.855 9.090 153 HD3 PRO 18 HD3 PRO 18 -8.737 -9.032 9.902 154 H HIS 19 H HIS 19 -10.770 -9.886 7.053 155 HA HIS 19 HA HIS 19 -13.272 -11.165 6.263 156 HB2 HIS 19 HB2 HIS 19 -12.274 -8.375 5.652 157 HB3 HIS 19 HB3 HIS 19 -13.899 -8.990 5.357 158 HD2 HIS 19 HD2 HIS 19 -11.800 -7.424 8.140 159 HE1 HIS 19 HE1 HIS 19 -15.493 -8.602 9.826 160 HE2 HIS 19 HE2 HIS 19 -13.242 -7.533 10.292 161 H VAL 20 H VAL 20 -10.179 -10.273 4.943 162 HA VAL 20 HA VAL 20 -11.029 -10.531 2.205 163 HB VAL 20 HB VAL 20 -8.672 -10.223 1.619 164 HG11 VAL 20 HG11 VAL 20 -10.032 -8.254 2.011 165 HG12 VAL 20 HG12 VAL 20 -8.380 -7.974 2.562 166 HG13 VAL 20 HG13 VAL 20 -9.654 -8.312 3.733 167 HG21 VAL 20 HG21 VAL 20 -8.185 -10.252 4.595 168 HG22 VAL 20 HG22 VAL 20 -6.997 -9.827 3.364 169 HG23 VAL 20 HG23 VAL 20 -7.643 -11.467 3.438 170 H SER 21 H SER 21 -10.080 -12.050 0.696 171 HA SER 21 HA SER 21 -10.195 -14.737 1.697 172 HB2 SER 21 HB2 SER 21 -11.037 -13.877 -0.584 173 HB3 SER 21 HB3 SER 21 -9.347 -13.940 -1.081 174 HG SER 21 HG SER 21 -10.794 -16.142 -0.007 175 H GLU 22 H GLU 22 -8.475 -16.306 0.786 176 HA GLU 22 HA GLU 22 -6.056 -15.771 2.127 177 HB2 GLU 22 HB2 GLU 22 -7.297 -18.004 1.332 178 HB3 GLU 22 HB3 GLU 22 -6.155 -17.856 0.006 179 HG2 GLU 22 HG2 GLU 22 -5.178 -17.667 2.805 180 HG3 GLU 22 HG3 GLU 22 -5.575 -19.244 2.130 181 H SER 23 H SER 23 -6.865 -15.933 -1.333 182 HA SER 23 HA SER 23 -4.371 -15.165 -2.335 183 HB2 SER 23 HB2 SER 23 -5.798 -14.337 -4.319 184 HB3 SER 23 HB3 SER 23 -5.900 -16.047 -3.897 185 HG SER 23 HG SER 23 -7.880 -15.759 -3.084 186 H THR 24 H THR 24 -7.200 -13.190 -1.468 187 HA THR 24 HA THR 24 -6.214 -10.683 -2.144 188 HB THR 24 HB THR 24 -7.970 -11.261 0.249 189 HG1 THR 24 HG1 THR 24 -9.308 -10.543 -1.999 190 HG21 THR 24 HG21 THR 24 -8.910 -9.030 -0.275 191 HG22 THR 24 HG22 THR 24 -7.695 -8.836 -1.538 192 HG23 THR 24 HG23 THR 24 -7.201 -8.956 0.152 193 H LYS 25 H LYS 25 -5.798 -12.556 0.836 194 HA LYS 25 HA LYS 25 -4.440 -10.732 2.414 195 HB2 LYS 25 HB2 LYS 25 -3.934 -13.696 2.105 196 HB3 LYS 25 HB3 LYS 25 -3.221 -12.705 3.366 197 HG2 LYS 25 HG2 LYS 25 -5.626 -12.144 4.023 198 HG3 LYS 25 HG3 LYS 25 -6.079 -13.512 3.003 199 HD2 LYS 25 HD2 LYS 25 -5.858 -14.480 5.107 200 HD3 LYS 25 HD3 LYS 25 -4.304 -14.817 4.343 201 HE2 LYS 25 HE2 LYS 25 -4.908 -12.634 6.341 202 HE3 LYS 25 HE3 LYS 25 -3.956 -14.087 6.621 203 HZ1 LYS 25 HZ1 LYS 25 -2.444 -12.314 6.300 204 HZ2 LYS 25 HZ2 LYS 25 -3.254 -11.762 4.923 205 HZ3 LYS 25 HZ3 LYS 25 -2.399 -13.217 4.866 206 H ARG 26 H ARG 26 -3.114 -13.008 0.062 207 HA ARG 26 HA ARG 26 -0.431 -12.264 0.528 208 HB2 ARG 26 HB2 ARG 26 -1.528 -13.653 -1.918 209 HB3 ARG 26 HB3 ARG 26 0.126 -13.704 -1.315 210 HG2 ARG 26 HG2 ARG 26 -2.332 -14.923 -0.083 211 HG3 ARG 26 HG3 ARG 26 -0.888 -15.745 -0.676 212 HD2 ARG 26 HD2 ARG 26 0.429 -14.909 1.122 213 HD3 ARG 26 HD3 ARG 26 -0.840 -13.790 1.616 214 HE ARG 26 HE ARG 26 -1.738 -16.496 1.717 215 HH11 ARG 26 HH11 ARG 26 0.037 -14.042 3.506 216 HH12 ARG 26 HH12 ARG 26 -0.119 -14.868 5.032 217 HH21 ARG 26 HH21 ARG 26 -1.988 -17.529 3.714 218 HH22 ARG 26 HH22 ARG 26 -1.283 -16.851 5.157 219 H HIS 27 H HIS 27 -2.867 -11.036 -1.687 220 HA HIS 27 HA HIS 27 -1.214 -9.405 -3.262 221 HB2 HIS 27 HB2 HIS 27 -4.049 -9.069 -2.298 222 HB3 HIS 27 HB3 HIS 27 -3.262 -7.825 -3.260 223 HD2 HIS 27 HD2 HIS 27 -4.943 -11.262 -3.657 224 HE1 HIS 27 HE1 HIS 27 -3.589 -9.989 -7.456 225 HE2 HIS 27 HE2 HIS 27 -5.165 -11.543 -6.222 226 H TYR 28 H TYR 28 -2.663 -8.843 -0.071 227 HA TYR 28 HA TYR 28 -1.535 -6.274 0.331 228 HB2 TYR 28 HB2 TYR 28 -2.672 -8.354 2.175 229 HB3 TYR 28 HB3 TYR 28 -1.876 -6.929 2.827 230 HD1 TYR 28 HD2 TYR 28 -4.807 -8.166 0.993 231 HD2 TYR 28 HD1 TYR 28 -2.894 -4.751 2.657 232 HE1 TYR 28 HE2 TYR 28 -6.909 -6.900 0.801 233 HE2 TYR 28 HE1 TYR 28 -4.985 -3.478 2.471 234 HH TYR 28 HH TYR 28 -7.996 -4.960 1.769 235 H GLU 29 H GLU 29 -0.479 -9.535 1.303 236 HA GLU 29 HA GLU 29 1.873 -8.871 2.619 237 HB2 GLU 29 HB2 GLU 29 0.969 -11.257 1.076 238 HB3 GLU 29 HB3 GLU 29 2.677 -11.139 1.471 239 HG2 GLU 29 HG2 GLU 29 1.690 -12.431 3.167 240 HG3 GLU 29 HG3 GLU 29 1.999 -10.847 3.867 241 H SER 30 H SER 30 1.362 -9.392 -0.850 242 HA SER 30 HA SER 30 4.040 -8.951 -1.630 243 HB2 SER 30 HB2 SER 30 1.509 -8.540 -3.239 244 HB3 SER 30 HB3 SER 30 3.136 -8.715 -3.894 245 HG SER 30 HG SER 30 1.517 -10.641 -2.606 246 H ALA 31 H ALA 31 1.260 -6.803 -1.298 247 HA ALA 31 HA ALA 31 2.468 -4.461 -2.284 248 HB1 ALA 31 HB1 ALA 31 0.713 -3.273 -1.080 249 HB2 ALA 31 HB2 ALA 31 0.341 -4.728 -0.158 250 HB3 ALA 31 HB3 ALA 31 0.049 -4.688 -1.897 251 H TYR 32 H TYR 32 2.156 -5.751 0.978 252 HA TYR 32 HA TYR 32 3.377 -3.731 2.418 253 HB2 TYR 32 HB2 TYR 32 2.141 -5.427 3.534 254 HB3 TYR 32 HB3 TYR 32 3.163 -6.700 2.884 255 HD1 TYR 32 HD1 TYR 32 3.669 -3.565 4.880 256 HD2 TYR 32 HD2 TYR 32 4.505 -7.709 4.421 257 HE1 TYR 32 HE1 TYR 32 5.020 -3.510 6.930 258 HE2 TYR 32 HE2 TYR 32 5.859 -7.672 6.470 259 HH TYR 32 HH TYR 32 5.821 -5.079 8.671 260 H LYS 33 H LYS 33 4.900 -6.574 0.892 261 HA LYS 33 HA LYS 33 7.460 -6.040 2.003 262 HB2 LYS 33 HB2 LYS 33 8.318 -7.726 0.478 263 HB3 LYS 33 HB3 LYS 33 6.822 -8.282 1.212 264 HG2 LYS 33 HG2 LYS 33 5.611 -7.707 -0.829 265 HG3 LYS 33 HG3 LYS 33 7.118 -7.162 -1.564 266 HD2 LYS 33 HD2 LYS 33 6.576 -9.412 -2.306 267 HD3 LYS 33 HD3 LYS 33 8.042 -9.422 -1.325 268 HE2 LYS 33 HE2 LYS 33 6.803 -10.211 0.591 269 HE3 LYS 33 HE3 LYS 33 5.285 -10.088 -0.298 270 HZ1 LYS 33 HZ1 LYS 33 6.082 -11.789 -1.820 271 HZ2 LYS 33 HZ2 LYS 33 6.074 -12.359 -0.221 272 HZ3 LYS 33 HZ3 LYS 33 7.538 -11.915 -0.953 273 H HIS 34 H HIS 34 5.936 -5.165 -1.085 274 HA HIS 34 HA HIS 34 8.277 -3.977 -2.186 275 HB2 HIS 34 HB2 HIS 34 5.357 -3.830 -2.855 276 HB3 HIS 34 HB3 HIS 34 6.479 -2.700 -3.603 277 HD1 HIS 34 HD1 HIS 34 8.086 -3.648 -5.408 278 HD2 HIS 34 HD2 HIS 34 5.607 -6.491 -3.664 279 HE1 HIS 34 HE1 HIS 34 8.269 -5.720 -6.839 280 H ILE 35 H ILE 35 5.559 -2.734 -0.313 281 HA ILE 35 HA ILE 35 6.280 -0.019 -0.379 282 HB ILE 35 HB ILE 35 4.752 -1.594 1.698 283 HG12 ILE 35 HG12 ILE 35 3.864 0.325 -0.469 284 HG13 ILE 35 HG13 ILE 35 3.709 -1.428 -0.525 285 HG21 ILE 35 HG21 ILE 35 5.075 1.399 1.486 286 HG22 ILE 35 HG22 ILE 35 5.754 0.369 2.747 287 HG23 ILE 35 HG23 ILE 35 4.006 0.549 2.604 288 HD11 ILE 35 HD11 ILE 35 2.358 0.381 1.464 289 HD12 ILE 35 HD12 ILE 35 2.167 -1.368 1.347 290 HD13 ILE 35 HD13 ILE 35 1.606 -0.329 0.038 291 H LYS 36 H LYS 36 7.068 -2.597 1.944 292 HA LYS 36 HA LYS 36 8.632 -1.062 3.680 293 HB2 LYS 36 HB2 LYS 36 7.907 -3.291 4.291 294 HB3 LYS 36 HB3 LYS 36 8.847 -3.992 2.979 295 HG2 LYS 36 HG2 LYS 36 10.910 -3.214 4.056 296 HG3 LYS 36 HG3 LYS 36 9.955 -2.560 5.387 297 HD2 LYS 36 HD2 LYS 36 10.077 -5.459 4.561 298 HD3 LYS 36 HD3 LYS 36 10.904 -4.747 5.949 299 HE2 LYS 36 HE2 LYS 36 8.702 -4.086 6.859 300 HE3 LYS 36 HE3 LYS 36 7.926 -4.914 5.514 301 HZ1 LYS 36 HZ1 LYS 36 9.676 -6.192 7.546 302 HZ2 LYS 36 HZ2 LYS 36 8.905 -6.987 6.257 303 HZ3 LYS 36 HZ3 LYS 36 7.985 -6.286 7.496 304 H ASP 37 H ASP 37 9.523 -2.809 0.744 305 HA ASP 37 HA ASP 37 12.313 -2.536 1.036 306 HB2 ASP 37 HB2 ASP 37 11.300 -4.210 -0.435 307 HB3 ASP 37 HB3 ASP 37 10.672 -2.934 -1.472 308 H HIS 38 H HIS 38 9.892 -0.475 -0.468 309 HA HIS 38 HA HIS 38 11.924 1.340 -1.487 310 HB2 HIS 38 HB2 HIS 38 8.921 1.297 -1.667 311 HB3 HIS 38 HB3 HIS 38 9.846 2.715 -2.149 312 HD1 HIS 38 HD1 HIS 38 11.218 2.568 -4.316 313 HD2 HIS 38 HD2 HIS 38 9.167 -0.931 -3.377 314 HE1 HIS 38 HE1 HIS 38 11.273 1.162 -6.401 315 HE2 HIS 38 HE2 HIS 38 10.164 -1.012 -5.768 316 H PHE 39 H PHE 39 9.235 1.506 0.830 317 HA PHE 39 HA PHE 39 10.239 4.091 1.776 318 HB2 PHE 39 HB2 PHE 39 7.650 2.662 2.437 319 HB3 PHE 39 HB3 PHE 39 8.069 4.314 2.874 320 HD1 PHE 39 HD2 PHE 39 8.476 5.970 0.970 321 HD2 PHE 39 HD1 PHE 39 6.563 2.207 0.433 322 HE1 PHE 39 HE2 PHE 39 7.492 6.776 -1.135 323 HE2 PHE 39 HE1 PHE 39 5.574 3.006 -1.676 324 HZ PHE 39 HZ PHE 39 6.037 5.292 -2.461 325 H ARG 40 H ARG 40 11.960 2.270 2.489 326 HA ARG 40 HA ARG 40 11.524 0.522 4.564 327 HB2 ARG 40 HB2 ARG 40 14.028 2.086 3.937 328 HB3 ARG 40 HB3 ARG 40 13.961 0.687 5.003 329 HG2 ARG 40 HG2 ARG 40 13.088 -0.647 3.099 330 HG3 ARG 40 HG3 ARG 40 13.345 0.752 2.059 331 HD2 ARG 40 HD2 ARG 40 15.504 -0.603 3.661 332 HD3 ARG 40 HD3 ARG 40 15.157 -0.944 1.967 333 HE ARG 40 HE ARG 40 16.267 1.555 3.042 334 HH11 ARG 40 HH11 ARG 40 15.398 -0.450 0.304 335 HH12 ARG 40 HH12 ARG 40 16.412 0.410 -0.817 336 HH21 ARG 40 HH21 ARG 40 17.606 2.693 1.564 337 HH22 ARG 40 HH22 ARG 40 17.650 2.200 -0.102 338 H HIS 41 H HIS 41 12.523 3.929 4.866 339 HA HIS 41 HA HIS 41 11.492 3.828 7.617 340 HB2 HIS 41 HB2 HIS 41 14.161 4.722 6.699 341 HB3 HIS 41 HB3 HIS 41 13.363 5.763 7.875 342 HD1 HIS 41 HD1 HIS 41 15.765 4.608 9.009 343 HD2 HIS 41 HD2 HIS 41 12.213 2.447 8.936 344 HE1 HIS 41 HE1 HIS 41 15.993 2.871 10.811 345 HE2 HIS 41 HE2 HIS 41 13.754 1.708 10.874 346 H LYS 42 H LYS 42 10.125 4.599 5.273 347 HA LYS 42 HA LYS 42 9.983 7.517 5.479 348 HB2 LYS 42 HB2 LYS 42 10.073 6.480 3.216 349 HB3 LYS 42 HB3 LYS 42 8.555 5.662 3.556 350 HG2 LYS 42 HG2 LYS 42 7.778 7.451 2.394 351 HG3 LYS 42 HG3 LYS 42 7.727 8.116 4.024 352 HD2 LYS 42 HD2 LYS 42 9.817 8.589 1.905 353 HD3 LYS 42 HD3 LYS 42 8.688 9.762 2.578 354 HE2 LYS 42 HE2 LYS 42 9.824 9.282 4.821 355 HE3 LYS 42 HE3 LYS 42 11.094 8.513 3.872 356 HZ1 LYS 42 HZ1 LYS 42 11.135 10.717 2.596 357 HZ2 LYS 42 HZ2 LYS 42 11.821 10.676 4.146 358 HZ3 LYS 42 HZ3 LYS 42 10.281 11.349 3.925 359 H LEU 43 H LEU 43 8.429 8.478 6.623 360 HA LEU 43 HA LEU 43 6.618 6.913 8.166 361 HB2 LEU 43 HB2 LEU 43 6.702 9.903 7.764 362 HB3 LEU 43 HB3 LEU 43 5.809 9.066 9.017 363 HG LEU 43 HG LEU 43 8.813 9.187 8.743 364 HD11 LEU 43 HD11 LEU 43 8.699 10.435 10.842 365 HD12 LEU 43 HD12 LEU 43 6.937 10.375 10.781 366 HD13 LEU 43 HD13 LEU 43 7.835 11.259 9.546 367 HD21 LEU 43 HD21 LEU 43 7.100 7.794 10.797 368 HD22 LEU 43 HD22 LEU 43 8.849 8.002 10.899 369 HD23 LEU 43 HD23 LEU 43 8.151 7.024 9.607 370 H LEU 44 H LEU 44 4.313 7.155 8.225 371 HA LEU 44 HA LEU 44 3.047 6.581 5.820 372 HB2 LEU 44 HB2 LEU 44 2.017 5.876 7.823 373 HB3 LEU 44 HB3 LEU 44 2.021 7.494 8.494 374 HG LEU 44 HG LEU 44 0.338 8.122 6.716 375 HD11 LEU 44 HD11 LEU 44 0.246 5.136 6.353 376 HD12 LEU 44 HD12 LEU 44 0.708 6.337 5.146 377 HD13 LEU 44 HD13 LEU 44 -0.953 6.273 5.735 378 HD21 LEU 44 HD21 LEU 44 -0.254 7.688 9.054 379 HD22 LEU 44 HD22 LEU 44 -0.481 5.981 8.670 380 HD23 LEU 44 HD23 LEU 44 -1.530 7.198 7.942 381 H LYS 45 H LYS 45 3.125 9.631 7.610 382 HA LYS 45 HA LYS 45 1.459 10.925 5.628 383 HB2 LYS 45 HB2 LYS 45 1.561 12.857 7.110 384 HB3 LYS 45 HB3 LYS 45 1.150 11.407 8.022 385 HG2 LYS 45 HG2 LYS 45 3.337 11.238 8.909 386 HG3 LYS 45 HG3 LYS 45 3.949 12.474 7.814 387 HD2 LYS 45 HD2 LYS 45 2.234 14.021 8.950 388 HD3 LYS 45 HD3 LYS 45 2.170 12.779 10.204 389 HE2 LYS 45 HE2 LYS 45 3.802 14.264 10.964 390 HE3 LYS 45 HE3 LYS 45 4.711 12.940 10.231 391 HZ1 LYS 45 HZ1 LYS 45 4.030 15.224 8.541 392 HZ2 LYS 45 HZ2 LYS 45 5.408 14.227 8.522 393 HZ3 LYS 45 HZ3 LYS 45 5.249 15.435 9.700 394 H ASP 46 H ASP 46 4.607 10.133 5.616 395 HA ASP 46 HA ASP 46 5.524 12.772 4.729 396 HB2 ASP 46 HB2 ASP 46 6.732 11.436 6.579 397 HB3 ASP 46 HB3 ASP 46 7.346 10.443 5.257 398 H ILE 47 H ILE 47 4.094 10.329 3.378 399 HA ILE 47 HA ILE 47 5.823 9.476 1.299 400 HB ILE 47 HB ILE 47 2.800 9.462 1.389 401 HG12 ILE 47 HG12 ILE 47 3.793 8.188 3.233 402 HG13 ILE 47 HG13 ILE 47 3.035 7.110 2.066 403 HG21 ILE 47 HG21 ILE 47 2.938 7.733 -0.334 404 HG22 ILE 47 HG22 ILE 47 4.692 7.923 -0.385 405 HG23 ILE 47 HG23 ILE 47 3.645 9.253 -0.885 406 HD11 ILE 47 HD11 ILE 47 5.144 6.215 2.837 407 HD12 ILE 47 HD12 ILE 47 5.979 7.675 2.305 408 HD13 ILE 47 HD13 ILE 47 5.228 6.607 1.120 409 H LYS 48 H LYS 48 6.449 10.561 -0.444 410 HA LYS 48 HA LYS 48 5.017 12.994 -1.177 411 HB2 LYS 48 HB2 LYS 48 7.598 11.963 -2.355 412 HB3 LYS 48 HB3 LYS 48 6.948 13.595 -2.460 413 HG2 LYS 48 HG2 LYS 48 7.161 13.671 0.077 414 HG3 LYS 48 HG3 LYS 48 8.148 12.217 -0.080 415 HD2 LYS 48 HD2 LYS 48 9.597 14.133 -0.006 416 HD3 LYS 48 HD3 LYS 48 9.629 13.468 -1.641 417 HE2 LYS 48 HE2 LYS 48 9.488 15.937 -1.601 418 HE3 LYS 48 HE3 LYS 48 8.120 15.180 -2.415 419 HZ1 LYS 48 HZ1 LYS 48 8.063 16.080 0.415 420 HZ2 LYS 48 HZ2 LYS 48 6.748 15.549 -0.515 421 HZ3 LYS 48 HZ3 LYS 48 7.514 17.020 -0.884 422 H ARG 49 H ARG 49 4.196 13.333 -3.263 423 HA ARG 49 HA ARG 49 2.813 11.107 -4.253 424 HB2 ARG 49 HB2 ARG 49 2.001 12.581 -6.023 425 HB3 ARG 49 HB3 ARG 49 1.951 13.385 -4.462 426 HG2 ARG 49 HG2 ARG 49 3.878 14.675 -4.980 427 HG3 ARG 49 HG3 ARG 49 4.165 13.758 -6.459 428 HD2 ARG 49 HD2 ARG 49 1.795 14.572 -7.122 429 HD3 ARG 49 HD3 ARG 49 2.041 15.781 -5.863 430 HE ARG 49 HE ARG 49 4.304 15.913 -7.404 431 HH11 ARG 49 HH11 ARG 49 0.867 16.335 -7.925 432 HH12 ARG 49 HH12 ARG 49 1.064 17.326 -9.341 433 HH21 ARG 49 HH21 ARG 49 4.585 17.208 -9.262 434 HH22 ARG 49 HH22 ARG 49 3.188 17.845 -10.089 435 H THR 50 H THR 50 5.816 12.598 -5.344 436 HA THR 50 HA THR 50 5.931 11.210 -7.823 437 HB THR 50 HB THR 50 8.434 11.786 -7.642 438 HG1 THR 50 HG1 THR 50 8.813 12.244 -5.558 439 HG21 THR 50 HG21 THR 50 6.858 13.059 -8.995 440 HG22 THR 50 HG22 THR 50 7.989 14.145 -8.187 441 HG23 THR 50 HG23 THR 50 6.346 13.967 -7.572 442 H GLU 51 H GLU 51 7.227 10.568 -4.603 443 HA GLU 51 HA GLU 51 8.854 8.377 -5.300 444 HB2 GLU 51 HB2 GLU 51 7.475 8.509 -2.644 445 HB3 GLU 51 HB3 GLU 51 9.119 8.017 -3.015 446 HG2 GLU 51 HG2 GLU 51 8.051 10.825 -3.033 447 HG3 GLU 51 HG3 GLU 51 9.101 10.110 -1.814 448 H TYR 52 H TYR 52 5.517 8.654 -4.254 449 HA TYR 52 HA TYR 52 4.882 5.901 -4.280 450 HB2 TYR 52 HB2 TYR 52 3.516 7.528 -3.096 451 HB3 TYR 52 HB3 TYR 52 3.146 8.359 -4.601 452 HD1 TYR 52 HD2 TYR 52 2.848 4.959 -3.086 453 HD2 TYR 52 HD1 TYR 52 1.120 7.921 -5.598 454 HE1 TYR 52 HE2 TYR 52 0.851 3.556 -3.355 455 HE2 TYR 52 HE1 TYR 52 -0.882 6.523 -5.880 456 HH TYR 52 HH TYR 52 -1.542 3.850 -3.924 457 H GLN 53 H GLN 53 4.845 8.420 -6.719 458 HA GLN 53 HA GLN 53 3.482 7.048 -8.750 459 HB2 GLN 53 HB2 GLN 53 4.055 9.513 -8.634 460 HB3 GLN 53 HB3 GLN 53 5.685 9.084 -9.115 461 HG2 GLN 53 HG2 GLN 53 3.332 8.314 -10.793 462 HG3 GLN 53 HG3 GLN 53 4.033 9.927 -10.888 463 HE21 GLN 53 HE21 GLN 53 3.895 7.968 -12.957 464 HE22 GLN 53 HE22 GLN 53 5.523 7.601 -13.418 465 H LYS 54 H LYS 54 6.993 7.320 -8.077 466 HA LYS 54 HA LYS 54 7.752 5.580 -10.194 467 HB2 LYS 54 HB2 LYS 54 9.188 6.592 -7.758 468 HB3 LYS 54 HB3 LYS 54 9.913 5.349 -8.765 469 HG2 LYS 54 HG2 LYS 54 10.812 7.370 -9.531 470 HG3 LYS 54 HG3 LYS 54 9.580 6.936 -10.717 471 HD2 LYS 54 HD2 LYS 54 8.000 8.451 -9.537 472 HD3 LYS 54 HD3 LYS 54 9.329 8.958 -8.493 473 HE2 LYS 54 HE2 LYS 54 9.070 10.581 -10.230 474 HE3 LYS 54 HE3 LYS 54 10.559 9.687 -10.528 475 HZ1 LYS 54 HZ1 LYS 54 7.971 9.077 -11.849 476 HZ2 LYS 54 HZ2 LYS 54 9.492 8.430 -12.228 477 HZ3 LYS 54 HZ3 LYS 54 9.169 10.066 -12.527 478 H PHE 55 H PHE 55 6.838 5.061 -6.869 479 HA PHE 55 HA PHE 55 7.598 2.390 -6.567 480 HB2 PHE 55 HB2 PHE 55 6.809 3.627 -4.664 481 HB3 PHE 55 HB3 PHE 55 5.255 3.930 -5.431 482 HD1 PHE 55 HD2 PHE 55 7.408 1.182 -4.156 483 HD2 PHE 55 HD1 PHE 55 3.464 2.522 -5.023 484 HE1 PHE 55 HE2 PHE 55 6.492 -0.827 -3.073 485 HE2 PHE 55 HE1 PHE 55 2.539 0.514 -3.943 486 HZ PHE 55 HZ PHE 55 4.054 -1.162 -2.963 487 H LEU 56 H LEU 56 4.594 3.783 -7.833 488 HA LEU 56 HA LEU 56 3.337 1.336 -8.462 489 HB2 LEU 56 HB2 LEU 56 2.965 4.064 -9.697 490 HB3 LEU 56 HB3 LEU 56 1.880 2.705 -9.914 491 HG LEU 56 HG LEU 56 2.444 4.074 -7.283 492 HD11 LEU 56 HD11 LEU 56 0.038 4.192 -9.092 493 HD12 LEU 56 HD12 LEU 56 1.190 5.496 -8.809 494 HD13 LEU 56 HD13 LEU 56 0.165 4.924 -7.493 495 HD21 LEU 56 HD21 LEU 56 0.445 1.935 -8.008 496 HD22 LEU 56 HD22 LEU 56 0.585 2.736 -6.444 497 HD23 LEU 56 HD23 LEU 56 1.891 1.705 -7.026 498 H ASN 57 H ASN 57 5.565 3.394 -10.221 499 HA ASN 57 HA ASN 57 5.184 2.252 -12.774 500 HB2 ASN 57 HB2 ASN 57 7.432 3.829 -11.549 501 HB3 ASN 57 HB3 ASN 57 7.551 3.190 -13.185 502 HD21 ASN 57 HD21 ASN 57 4.506 4.235 -11.847 503 HD22 ASN 57 HD22 ASN 57 4.358 5.667 -12.798 504 H GLU 58 H GLU 58 7.351 1.428 -10.108 505 HA GLU 58 HA GLU 58 8.724 -0.616 -11.570 506 HB2 GLU 58 HB2 GLU 58 9.734 0.473 -9.602 507 HB3 GLU 58 HB3 GLU 58 8.479 -0.217 -8.579 508 HG2 GLU 58 HG2 GLU 58 9.272 -2.483 -9.312 509 HG3 GLU 58 HG3 GLU 58 10.642 -1.675 -10.073 510 H TYR 59 H TYR 59 5.973 -0.513 -9.381 511 HA TYR 59 HA TYR 59 5.691 -3.313 -9.089 512 HB2 TYR 59 HB2 TYR 59 4.665 -1.431 -7.658 513 HB3 TYR 59 HB3 TYR 59 3.410 -1.356 -8.891 514 HD1 TYR 59 HD1 TYR 59 4.888 -3.390 -6.210 515 HD2 TYR 59 HD2 TYR 59 1.768 -3.126 -9.098 516 HE1 TYR 59 HE1 TYR 59 3.703 -5.230 -5.095 517 HE2 TYR 59 HE2 TYR 59 0.577 -4.965 -7.984 518 HH TYR 59 HH TYR 59 1.320 -6.039 -4.910 519 H GLY 60 H GLY 60 4.486 -0.984 -11.423 520 HA2 GLY 60 HA2 GLY 60 2.706 -2.806 -12.736 521 HA3 GLY 60 HA3 GLY 60 3.238 -1.246 -13.343 522 H LEU 61 H LEU 61 6.081 -2.471 -12.762 523 HA LEU 61 HA LEU 61 6.381 -3.669 -15.398 524 HB2 LEU 61 HB2 LEU 61 8.414 -2.928 -13.294 525 HB3 LEU 61 HB3 LEU 61 8.814 -3.616 -14.854 526 HG LEU 61 HG LEU 61 7.459 -0.952 -14.431 527 HD11 LEU 61 HD11 LEU 61 9.583 0.008 -15.138 528 HD12 LEU 61 HD12 LEU 61 10.293 -1.604 -15.219 529 HD13 LEU 61 HD13 LEU 61 9.774 -0.946 -13.667 530 HD21 LEU 61 HD21 LEU 61 6.833 -2.018 -16.534 531 HD22 LEU 61 HD22 LEU 61 8.535 -2.249 -16.931 532 HD23 LEU 61 HD23 LEU 61 7.871 -0.620 -16.813 533 H THR 62 H THR 62 6.067 -4.612 -12.141 534 HA THR 62 HA THR 62 7.372 -7.198 -12.615 535 HB THR 62 HB THR 62 7.278 -7.404 -10.102 536 HG1 THR 62 HG1 THR 62 6.916 -4.621 -9.960 537 HG21 THR 62 HG21 THR 62 9.145 -5.857 -9.713 538 HG22 THR 62 HG22 THR 62 8.775 -5.032 -11.228 539 HG23 THR 62 HG23 THR 62 9.323 -6.709 -11.248 540 H HIS 63 H HIS 63 4.332 -5.701 -11.859 541 HA HIS 63 HA HIS 63 3.078 -8.361 -11.718 542 HB2 HIS 63 HB2 HIS 63 2.435 -5.900 -10.081 543 HB3 HIS 63 HB3 HIS 63 1.390 -7.312 -10.167 544 HD1 HIS 63 HD1 HIS 63 4.932 -6.411 -9.071 545 HD2 HIS 63 HD2 HIS 63 1.971 -9.247 -8.352 546 HE1 HIS 63 HE1 HIS 63 5.765 -7.796 -7.142 547 HE2 HIS 63 HE2 HIS 63 3.999 -9.561 -6.781 548 H SER 64 H SER 64 0.708 -8.248 -12.248 549 HA SER 64 HA SER 64 0.379 -6.938 -14.756 550 HB2 SER 64 HB2 SER 64 -0.603 -9.160 -14.202 551 HB3 SER 64 HB3 SER 64 -1.695 -8.365 -13.073 552 HG SER 64 HG SER 64 -2.587 -8.767 -15.199 553 H TYR 65 H TYR 65 -1.536 -5.584 -15.266 554 HA TYR 65 HA TYR 65 -1.513 -3.226 -13.753 555 HB2 TYR 65 HB2 TYR 65 -2.068 -3.214 -16.121 556 HB3 TYR 65 HB3 TYR 65 -3.523 -4.155 -15.811 557 HD1 TYR 65 HD1 TYR 65 -1.934 -0.853 -15.360 558 HD2 TYR 65 HD2 TYR 65 -5.539 -3.108 -15.028 559 HE1 TYR 65 HE1 TYR 65 -3.204 1.230 -15.067 560 HE2 TYR 65 HE2 TYR 65 -6.810 -1.021 -14.746 561 HH TYR 65 HH TYR 65 -6.423 1.283 -13.989 562 H GLU 66 H GLU 66 -3.670 -5.993 -13.678 563 HA GLU 66 HA GLU 66 -5.689 -4.758 -12.130 564 HB2 GLU 66 HB2 GLU 66 -5.758 -7.006 -13.419 565 HB3 GLU 66 HB3 GLU 66 -5.068 -7.684 -11.946 566 HG2 GLU 66 HG2 GLU 66 -7.023 -6.421 -10.788 567 HG3 GLU 66 HG3 GLU 66 -7.736 -6.455 -12.402 568 H THR 67 H THR 67 -2.755 -6.527 -11.337 569 HA THR 67 HA THR 67 -3.186 -6.761 -8.567 570 HB THR 67 HB THR 67 -0.457 -6.504 -9.821 571 HG1 THR 67 HG1 THR 67 -1.278 -9.058 -9.762 572 HG21 THR 67 HG21 THR 67 -0.568 -6.752 -7.386 573 HG22 THR 67 HG22 THR 67 0.118 -8.194 -8.133 574 HG23 THR 67 HG23 THR 67 -1.554 -8.202 -7.573 575 H ILE 68 H ILE 68 -1.317 -4.383 -10.461 576 HA ILE 68 HA ILE 68 -0.652 -2.766 -8.235 577 HB ILE 68 HB ILE 68 0.628 -2.606 -10.303 578 HG12 ILE 68 HG12 ILE 68 -0.789 -0.039 -9.561 579 HG13 ILE 68 HG13 ILE 68 0.667 -0.688 -8.814 580 HG21 ILE 68 HG21 ILE 68 -1.149 -2.954 -11.922 581 HG22 ILE 68 HG22 ILE 68 -0.247 -1.482 -12.282 582 HG23 ILE 68 HG23 ILE 68 -1.836 -1.378 -11.525 583 HD11 ILE 68 HD11 ILE 68 1.864 -0.398 -10.927 584 HD12 ILE 68 HD12 ILE 68 1.209 1.121 -10.316 585 HD13 ILE 68 HD13 ILE 68 0.407 0.287 -11.647 586 H ARG 69 H ARG 69 -3.396 -2.833 -10.421 587 HA ARG 69 HA ARG 69 -4.639 -0.432 -9.710 588 HB2 ARG 69 HB2 ARG 69 -5.254 -2.497 -11.380 589 HB3 ARG 69 HB3 ARG 69 -6.419 -2.757 -10.089 590 HG2 ARG 69 HG2 ARG 69 -6.991 -0.273 -10.376 591 HG3 ARG 69 HG3 ARG 69 -6.130 -0.403 -11.910 592 HD2 ARG 69 HD2 ARG 69 -8.555 -1.957 -11.034 593 HD3 ARG 69 HD3 ARG 69 -8.461 -0.753 -12.316 594 HE ARG 69 HE ARG 69 -6.675 -2.710 -13.037 595 HH11 ARG 69 HH11 ARG 69 -10.088 -2.565 -12.298 596 HH12 ARG 69 HH12 ARG 69 -10.515 -3.861 -13.376 597 HH21 ARG 69 HH21 ARG 69 -7.218 -4.427 -14.466 598 HH22 ARG 69 HH22 ARG 69 -8.881 -4.916 -14.612 599 H LYS 70 H LYS 70 -5.001 -3.691 -8.333 600 HA LYS 70 HA LYS 70 -6.735 -2.864 -6.240 601 HB2 LYS 70 HB2 LYS 70 -5.349 -5.364 -7.005 602 HB3 LYS 70 HB3 LYS 70 -5.761 -5.198 -5.301 603 HG2 LYS 70 HG2 LYS 70 -7.917 -5.554 -5.685 604 HG3 LYS 70 HG3 LYS 70 -7.949 -4.424 -7.034 605 HD2 LYS 70 HD2 LYS 70 -8.548 -6.571 -7.876 606 HD3 LYS 70 HD3 LYS 70 -6.916 -6.223 -8.442 607 HE2 LYS 70 HE2 LYS 70 -5.953 -7.702 -6.866 608 HE3 LYS 70 HE3 LYS 70 -7.463 -7.832 -5.960 609 HZ1 LYS 70 HZ1 LYS 70 -6.969 -8.883 -8.707 610 HZ2 LYS 70 HZ2 LYS 70 -8.447 -8.949 -7.886 611 HZ3 LYS 70 HZ3 LYS 70 -7.121 -9.800 -7.281 612 H LEU 71 H LEU 71 -3.242 -3.373 -6.446 613 HA LEU 71 HA LEU 71 -2.482 -2.911 -3.823 614 HB2 LEU 71 HB2 LEU 71 -0.777 -3.419 -5.377 615 HB3 LEU 71 HB3 LEU 71 -1.255 -2.122 -6.456 616 HG LEU 71 HG LEU 71 -0.489 -0.509 -4.651 617 HD11 LEU 71 HD11 LEU 71 0.798 -3.008 -3.575 618 HD12 LEU 71 HD12 LEU 71 -0.470 -2.067 -2.788 619 HD13 LEU 71 HD13 LEU 71 1.128 -1.362 -3.038 620 HD21 LEU 71 HD21 LEU 71 1.878 -0.735 -5.277 621 HD22 LEU 71 HD22 LEU 71 0.795 -0.880 -6.663 622 HD23 LEU 71 HD23 LEU 71 1.525 -2.323 -5.962 623 H ASN 72 H ASN 72 -2.907 -0.512 -6.391 624 HA ASN 72 HA ASN 72 -2.621 1.789 -4.850 625 HB2 ASN 72 HB2 ASN 72 -2.515 1.994 -7.201 626 HB3 ASN 72 HB3 ASN 72 -4.069 1.203 -7.425 627 HD21 ASN 72 HD21 ASN 72 -2.491 4.135 -6.308 628 HD22 ASN 72 HD22 ASN 72 -3.855 5.169 -6.555 629 H SER 73 H SER 73 -5.476 -0.196 -5.463 630 HA SER 73 HA SER 73 -7.389 1.526 -4.326 631 HB2 SER 73 HB2 SER 73 -7.994 -0.415 -5.726 632 HB3 SER 73 HB3 SER 73 -7.423 -1.503 -4.462 633 HG SER 73 HG SER 73 -9.572 0.356 -4.264 634 H TYR 74 H TYR 74 -5.397 -1.038 -2.883 635 HA TYR 74 HA TYR 74 -6.545 -0.947 -0.302 636 HB2 TYR 74 HB2 TYR 74 -3.676 -1.642 -0.972 637 HB3 TYR 74 HB3 TYR 74 -4.573 -2.134 0.457 638 HD1 TYR 74 HD1 TYR 74 -7.166 -2.821 -1.164 639 HD2 TYR 74 HD2 TYR 74 -3.063 -3.866 -1.607 640 HE1 TYR 74 HE1 TYR 74 -7.822 -4.899 -2.310 641 HE2 TYR 74 HE2 TYR 74 -3.707 -5.939 -2.753 642 HH TYR 74 HH TYR 74 -5.638 -7.438 -2.909 643 H ILE 75 H ILE 75 -3.791 0.692 -1.757 644 HA ILE 75 HA ILE 75 -2.883 2.013 0.546 645 HB ILE 75 HB ILE 75 -2.552 2.752 -2.366 646 HG12 ILE 75 HG12 ILE 75 -0.732 1.255 -0.465 647 HG13 ILE 75 HG13 ILE 75 -1.716 0.510 -1.720 648 HG21 ILE 75 HG21 ILE 75 -0.618 4.063 -1.639 649 HG22 ILE 75 HG22 ILE 75 -1.010 3.706 0.044 650 HG23 ILE 75 HG23 ILE 75 -2.114 4.675 -0.934 651 HD11 ILE 75 HD11 ILE 75 0.564 2.427 -2.138 652 HD12 ILE 75 HD12 ILE 75 -0.446 1.747 -3.415 653 HD13 ILE 75 HD13 ILE 75 0.574 0.688 -2.440 654 H ARG 76 H ARG 76 -5.296 2.889 -1.877 655 HA ARG 76 HA ARG 76 -5.713 5.557 -1.102 656 HB2 ARG 76 HB2 ARG 76 -7.695 3.563 -2.205 657 HB3 ARG 76 HB3 ARG 76 -8.012 5.281 -2.031 658 HG2 ARG 76 HG2 ARG 76 -6.130 5.736 -3.574 659 HG3 ARG 76 HG3 ARG 76 -5.962 3.994 -3.815 660 HD2 ARG 76 HD2 ARG 76 -8.356 3.950 -4.539 661 HD3 ARG 76 HD3 ARG 76 -8.347 5.712 -4.479 662 HE ARG 76 HE ARG 76 -6.514 4.190 -6.217 663 HH11 ARG 76 HH11 ARG 76 -8.839 6.764 -5.717 664 HH12 ARG 76 HH12 ARG 76 -8.712 7.350 -7.351 665 HH21 ARG 76 HH21 ARG 76 -6.354 4.965 -8.348 666 HH22 ARG 76 HH22 ARG 76 -7.290 6.346 -8.835 667 H ASN 77 H ASN 77 -7.275 2.555 0.008 668 HA ASN 77 HA ASN 77 -9.010 3.872 1.832 669 HB2 ASN 77 HB2 ASN 77 -9.387 1.574 0.889 670 HB3 ASN 77 HB3 ASN 77 -8.112 0.991 1.954 671 HD21 ASN 77 HD21 ASN 77 -11.336 2.308 1.803 672 HD22 ASN 77 HD22 ASN 77 -11.810 1.864 3.410 673 H ALA 78 H ALA 78 -5.787 2.495 2.108 674 HA ALA 78 HA ALA 78 -5.499 2.608 4.892 675 HB1 ALA 78 HB1 ALA 78 -3.904 1.479 3.412 676 HB2 ALA 78 HB2 ALA 78 -3.098 2.636 4.471 677 HB3 ALA 78 HB3 ALA 78 -3.388 3.043 2.779 678 H PHE 79 H PHE 79 -4.633 5.024 2.420 679 HA PHE 79 HA PHE 79 -3.914 7.048 4.251 680 HB2 PHE 79 HB2 PHE 79 -4.704 7.063 1.351 681 HB3 PHE 79 HB3 PHE 79 -4.473 8.575 2.220 682 HD1 PHE 79 HD2 PHE 79 -2.192 8.399 3.756 683 HD2 PHE 79 HD1 PHE 79 -2.932 6.483 0.024 684 HE1 PHE 79 HE2 PHE 79 0.228 8.295 3.337 685 HE2 PHE 79 HE1 PHE 79 -0.510 6.379 -0.399 686 HZ PHE 79 HZ PHE 79 1.073 7.285 1.254 687 H ASP 80 H ASP 80 -6.972 6.151 2.759 688 HA ASP 80 HA ASP 80 -8.416 8.485 3.416 689 HB2 ASP 80 HB2 ASP 80 -9.032 6.608 1.765 690 HB3 ASP 80 HB3 ASP 80 -9.655 5.748 3.168 691 H ASP 81 H ASP 81 -7.959 5.417 5.101 692 HA ASP 81 HA ASP 81 -9.729 5.920 7.244 693 HB2 ASP 81 HB2 ASP 81 -8.588 3.709 6.540 694 HB3 ASP 81 HB3 ASP 81 -7.215 4.270 7.485 695 H ALA 82 H ALA 82 -6.279 6.530 6.789 696 HA ALA 82 HA ALA 82 -5.805 7.530 9.405 697 HB1 ALA 82 HB1 ALA 82 -3.643 8.211 8.546 698 HB2 ALA 82 HB2 ALA 82 -4.199 7.953 6.892 699 HB3 ALA 82 HB3 ALA 82 -4.044 6.585 7.995 700 H ILE 83 H ILE 83 -6.468 9.133 6.291 701 HA ILE 83 HA ILE 83 -5.976 11.754 7.238 702 HB ILE 83 HB ILE 83 -5.999 11.141 4.826 703 HG12 ILE 83 HG12 ILE 83 -7.873 13.396 5.580 704 HG13 ILE 83 HG13 ILE 83 -6.116 13.493 5.575 705 HG21 ILE 83 HG21 ILE 83 -7.983 9.752 4.768 706 HG22 ILE 83 HG22 ILE 83 -8.140 11.086 3.626 707 HG23 ILE 83 HG23 ILE 83 -8.995 11.138 5.169 708 HD11 ILE 83 HD11 ILE 83 -7.055 14.521 3.592 709 HD12 ILE 83 HD12 ILE 83 -7.868 13.012 3.177 710 HD13 ILE 83 HD13 ILE 83 -6.107 13.095 3.166 711 H HIS 84 H HIS 84 -8.810 9.711 7.264 712 HA HIS 84 HA HIS 84 -10.726 11.679 7.914 713 HB2 HIS 84 HB2 HIS 84 -10.994 9.157 7.228 714 HB3 HIS 84 HB3 HIS 84 -10.909 8.874 8.961 715 HD1 HIS 84 HD1 HIS 84 -12.929 9.598 10.391 716 HD2 HIS 84 HD2 HIS 84 -13.333 10.413 6.330 717 HE1 HIS 84 HE1 HIS 84 -15.353 10.181 10.050 718 HE2 HIS 84 HE2 HIS 84 -15.608 10.468 7.558 719 H GLU 85 H GLU 85 -8.229 10.159 9.718 720 HA GLU 85 HA GLU 85 -9.304 11.009 12.298 721 HB2 GLU 85 HB2 GLU 85 -6.997 9.305 11.425 722 HB3 GLU 85 HB3 GLU 85 -7.016 9.992 13.043 723 HG2 GLU 85 HG2 GLU 85 -9.215 8.289 11.906 724 HG3 GLU 85 HG3 GLU 85 -7.888 7.678 12.896 725 H GLY 86 H GLY 86 -7.484 12.314 9.823 726 HA2 GLY 86 HA2 GLY 86 -6.228 14.255 9.702 727 HA3 GLY 86 HA3 GLY 86 -6.508 14.492 11.423 728 H TYR 87 H TYR 87 -5.309 11.483 10.338 729 HA TYR 87 HA TYR 87 -2.915 11.829 11.922 730 HB2 TYR 87 HB2 TYR 87 -4.452 9.775 11.867 731 HB3 TYR 87 HB3 TYR 87 -3.713 9.404 10.315 732 HD1 TYR 87 HD2 TYR 87 -2.437 10.510 13.645 733 HD2 TYR 87 HD1 TYR 87 -2.192 7.692 10.473 734 HE1 TYR 87 HE2 TYR 87 -0.627 9.348 14.831 735 HE2 TYR 87 HE1 TYR 87 -0.376 6.514 11.653 736 HH TYR 87 HH TYR 87 1.391 7.153 13.420 737 H VAL 88 H VAL 88 -3.874 11.814 8.612 738 HA VAL 88 HA VAL 88 -1.098 12.314 7.811 739 HB VAL 88 HB VAL 88 -1.832 9.958 7.215 740 HG11 VAL 88 HG11 VAL 88 -3.301 9.685 5.280 741 HG12 VAL 88 HG12 VAL 88 -3.628 11.418 5.289 742 HG13 VAL 88 HG13 VAL 88 -4.141 10.417 6.647 743 HG21 VAL 88 HG21 VAL 88 -0.886 10.031 4.970 744 HG22 VAL 88 HG22 VAL 88 0.020 11.061 6.080 745 HG23 VAL 88 HG23 VAL 88 -1.106 11.780 4.926 746 H ILE 89 H ILE 89 -1.036 13.452 5.657 747 HA ILE 89 HA ILE 89 -3.084 15.508 5.654 748 HB ILE 89 HB ILE 89 -1.553 16.575 3.923 749 HG12 ILE 89 HG12 ILE 89 0.360 14.462 4.948 750 HG13 ILE 89 HG13 ILE 89 -0.331 14.501 3.330 751 HG21 ILE 89 HG21 ILE 89 -1.666 17.364 6.191 752 HG22 ILE 89 HG22 ILE 89 0.014 17.376 5.653 753 HG23 ILE 89 HG23 ILE 89 -0.558 16.100 6.727 754 HD11 ILE 89 HD11 ILE 89 1.488 16.586 4.513 755 HD12 ILE 89 HD12 ILE 89 0.807 16.607 2.886 756 HD13 ILE 89 HD13 ILE 89 1.949 15.344 3.350 757 H LYS 90 H LYS 90 -3.051 16.405 3.126 758 HA LYS 90 HA LYS 90 -4.906 14.923 1.749 759 HB2 LYS 90 HB2 LYS 90 -2.910 16.957 0.762 760 HB3 LYS 90 HB3 LYS 90 -4.201 16.310 -0.244 761 HG2 LYS 90 HG2 LYS 90 -5.874 17.268 1.093 762 HG3 LYS 90 HG3 LYS 90 -4.747 17.593 2.412 763 HD2 LYS 90 HD2 LYS 90 -3.653 19.301 1.120 764 HD3 LYS 90 HD3 LYS 90 -4.616 18.897 -0.302 765 HE2 LYS 90 HE2 LYS 90 -5.381 20.928 0.944 766 HE3 LYS 90 HE3 LYS 90 -6.611 19.687 0.718 767 HZ1 LYS 90 HZ1 LYS 90 -6.647 20.602 2.959 768 HZ2 LYS 90 HZ2 LYS 90 -5.040 20.117 3.209 769 HZ3 LYS 90 HZ3 LYS 90 -6.255 18.954 2.984 770 H ASN 91 H ASN 91 -4.842 13.625 -0.087 771 HA ASN 91 HA ASN 91 -2.929 11.553 0.324 772 HB2 ASN 91 HB2 ASN 91 -5.457 11.387 -0.200 773 HB3 ASN 91 HB3 ASN 91 -4.971 11.589 -1.880 774 HD21 ASN 91 HD21 ASN 91 -6.253 9.321 -0.681 775 HD22 ASN 91 HD22 ASN 91 -5.186 7.977 -0.898 776 HA PRO 92 HA PRO 92 -0.045 12.819 -2.934 777 HB2 PRO 92 HB2 PRO 92 1.534 10.606 -2.658 778 HB3 PRO 92 HB3 PRO 92 1.656 12.024 -1.612 779 HG2 PRO 92 HG2 PRO 92 0.248 9.427 -1.128 780 HG3 PRO 92 HG3 PRO 92 1.262 10.374 -0.023 781 HD2 PRO 92 HD2 PRO 92 -1.419 10.442 0.118 782 HD3 PRO 92 HD3 PRO 92 -0.434 11.884 0.440 783 H THR 93 H THR 93 -2.028 10.029 -2.642 784 HA THR 93 HA THR 93 -1.418 8.707 -5.074 785 HB THR 93 HB THR 93 -4.033 8.695 -3.546 786 HG1 THR 93 HG1 THR 93 -2.583 8.031 -2.071 787 HG21 THR 93 HG21 THR 93 -4.221 7.627 -5.726 788 HG22 THR 93 HG22 THR 93 -4.267 6.416 -4.444 789 HG23 THR 93 HG23 THR 93 -2.794 6.648 -5.388 790 H TYR 94 H TYR 94 -2.740 11.692 -4.508 791 HA TYR 94 HA TYR 94 -4.657 12.091 -6.463 792 HB2 TYR 94 HB2 TYR 94 -4.266 13.887 -5.016 793 HB3 TYR 94 HB3 TYR 94 -2.525 13.820 -5.247 794 HD1 TYR 94 HD1 TYR 94 -5.708 14.937 -6.748 795 HD2 TYR 94 HD2 TYR 94 -1.463 15.015 -7.008 796 HE1 TYR 94 HE1 TYR 94 -5.843 16.752 -8.403 797 HE2 TYR 94 HE2 TYR 94 -1.588 16.825 -8.660 798 HH TYR 94 HH TYR 94 -3.226 17.678 -10.313 799 H LYS 95 H LYS 95 -1.171 11.800 -6.774 800 HA LYS 95 HA LYS 95 -1.370 12.361 -9.658 801 HB2 LYS 95 HB2 LYS 95 0.193 13.705 -8.143 802 HB3 LYS 95 HB3 LYS 95 1.149 12.243 -7.996 803 HG2 LYS 95 HG2 LYS 95 2.171 13.619 -9.636 804 HG3 LYS 95 HG3 LYS 95 1.423 12.263 -10.477 805 HD2 LYS 95 HD2 LYS 95 -0.103 14.808 -10.148 806 HD3 LYS 95 HD3 LYS 95 1.156 14.712 -11.379 807 HE2 LYS 95 HE2 LYS 95 -1.132 12.766 -11.136 808 HE3 LYS 95 HE3 LYS 95 -1.141 14.176 -12.193 809 HZ1 LYS 95 HZ1 LYS 95 0.779 13.283 -13.355 810 HZ2 LYS 95 HZ2 LYS 95 -0.508 12.176 -13.386 811 HZ3 LYS 95 HZ3 LYS 95 0.797 11.926 -12.339 812 H ALA 96 H ALA 96 -2.073 9.827 -8.301 813 HA ALA 96 HA ALA 96 0.005 7.930 -8.617 814 HB1 ALA 96 HB1 ALA 96 -1.701 6.258 -8.240 815 HB2 ALA 96 HB2 ALA 96 -2.966 7.451 -8.535 816 HB3 ALA 96 HB3 ALA 96 -1.921 7.608 -7.125 817 H GLU 97 H GLU 97 0.909 7.618 -10.540 818 HA GLU 97 HA GLU 97 -0.817 7.210 -12.875 819 HB2 GLU 97 HB2 GLU 97 2.124 7.787 -12.579 820 HB3 GLU 97 HB3 GLU 97 1.439 7.216 -14.095 821 HG2 GLU 97 HG2 GLU 97 -0.019 9.168 -14.172 822 HG3 GLU 97 HG3 GLU 97 0.662 9.736 -12.648 823 H LEU 98 H LEU 98 -1.366 5.177 -13.292 824 HA LEU 98 HA LEU 98 0.219 2.992 -12.187 825 HB2 LEU 98 HB2 LEU 98 -2.361 2.893 -13.756 826 HB3 LEU 98 HB3 LEU 98 -1.618 1.556 -12.902 827 HG LEU 98 HG LEU 98 -2.778 4.034 -11.637 828 HD11 LEU 98 HD11 LEU 98 -3.752 1.183 -11.672 829 HD12 LEU 98 HD12 LEU 98 -4.487 2.545 -12.517 830 HD13 LEU 98 HD13 LEU 98 -4.471 2.506 -10.752 831 HD21 LEU 98 HD21 LEU 98 -2.364 2.945 -9.516 832 HD22 LEU 98 HD22 LEU 98 -0.851 3.144 -10.401 833 HD23 LEU 98 HD23 LEU 98 -1.638 1.567 -10.342 834 H HIS 99 H HIS 99 2.053 2.908 -13.467 835 HA HIS 99 HA HIS 99 1.640 2.642 -16.353 836 HB2 HIS 99 HB2 HIS 99 4.094 3.266 -14.726 837 HB3 HIS 99 HB3 HIS 99 4.197 2.800 -16.420 838 HD1 HIS 99 HD1 HIS 99 3.707 4.578 -18.150 839 HD2 HIS 99 HD2 HIS 99 2.762 5.759 -14.272 840 HE1 HIS 99 HE1 HIS 99 3.168 7.035 -18.293 841 HE2 HIS 99 HE2 HIS 99 2.728 7.759 -15.915 842 H ALA 100 H ALA 100 0.768 0.537 -16.170 843 HA ALA 100 HA ALA 100 2.613 -1.591 -15.442 844 HB1 ALA 100 HB1 ALA 100 -0.207 -1.730 -16.517 845 HB2 ALA 100 HB2 ALA 100 0.261 -1.841 -14.821 846 HB3 ALA 100 HB3 ALA 100 0.750 -3.100 -15.955 847 H SER 101 H SER 101 4.185 -1.842 -16.913 848 HA SER 101 HA SER 101 3.564 -1.457 -19.738 849 HB2 SER 101 HB2 SER 101 5.554 -0.348 -18.675 850 HB3 SER 101 HB3 SER 101 6.261 -1.949 -18.458 851 HG SER 101 HG SER 101 6.069 -2.191 -20.776 852 H VAL 102 H VAL 102 3.144 -3.900 -17.772 853 HA VAL 102 HA VAL 102 4.505 -6.014 -19.158 854 HB VAL 102 HB VAL 102 2.179 -6.251 -17.235 855 HG11 VAL 102 HG11 VAL 102 2.991 -8.536 -16.896 856 HG12 VAL 102 HG12 VAL 102 4.249 -8.270 -18.102 857 HG13 VAL 102 HG13 VAL 102 2.553 -8.256 -18.582 858 HG21 VAL 102 HG21 VAL 102 4.018 -5.068 -16.177 859 HG22 VAL 102 HG22 VAL 102 5.143 -6.327 -16.683 860 HG23 VAL 102 HG23 VAL 102 3.874 -6.697 -15.514 861 H LEU 103 H LEU 103 3.815 -5.452 -21.292 862 HA LEU 103 HA LEU 103 1.139 -6.511 -21.920 863 HB2 LEU 103 HB2 LEU 103 2.898 -4.663 -23.549 864 HB3 LEU 103 HB3 LEU 103 1.364 -5.319 -24.089 865 HG LEU 103 HG LEU 103 1.744 -3.452 -21.748 866 HD11 LEU 103 HD11 LEU 103 0.579 -1.827 -23.165 867 HD12 LEU 103 HD12 LEU 103 0.585 -2.988 -24.493 868 HD13 LEU 103 HD13 LEU 103 2.108 -2.344 -23.879 869 HD21 LEU 103 HD21 LEU 103 -0.688 -3.360 -21.683 870 HD22 LEU 103 HD22 LEU 103 -0.121 -5.012 -21.434 871 HD23 LEU 103 HD23 LEU 103 -0.780 -4.533 -22.999 872 H GLU 104 H GLU 104 1.358 -8.596 -22.350 873 HA GLU 104 HA GLU 104 3.926 -9.614 -23.208 874 HB2 GLU 104 HB2 GLU 104 2.797 -11.854 -22.809 875 HB3 GLU 104 HB3 GLU 104 2.987 -10.808 -21.410 876 HG2 GLU 104 HG2 GLU 104 0.820 -10.924 -21.014 877 HG3 GLU 104 HG3 GLU 104 0.482 -10.222 -22.594 878 H HIS 105 H HIS 105 0.859 -8.972 -24.669 879 HA HIS 105 HA HIS 105 1.118 -11.025 -26.677 880 HB2 HIS 105 HB2 HIS 105 -1.092 -10.209 -25.793 881 HB3 HIS 105 HB3 HIS 105 -0.833 -8.721 -26.696 882 HD1 HIS 105 HD1 HIS 105 -1.693 -8.711 -29.033 883 HD2 HIS 105 HD2 HIS 105 -1.145 -12.570 -27.576 884 HE1 HIS 105 HE1 HIS 105 -2.591 -10.246 -30.812 885 HE2 HIS 105 HE2 HIS 105 -2.121 -12.574 -29.974 886 H HIS 106 H HIS 106 3.366 -9.892 -26.985 887 HA HIS 106 HA HIS 106 3.614 -9.636 -29.658 888 HB2 HIS 106 HB2 HIS 106 3.928 -7.368 -30.278 889 HB3 HIS 106 HB3 HIS 106 2.401 -7.414 -29.413 890 HD1 HIS 106 HD1 HIS 106 5.646 -5.762 -29.490 891 HD2 HIS 106 HD2 HIS 106 2.582 -6.288 -26.731 892 HE1 HIS 106 HE1 HIS 106 6.018 -4.009 -27.725 893 HE2 HIS 106 HE2 HIS 106 3.979 -4.159 -26.252 894 H HIS 107 H HIS 107 5.763 -9.650 -30.262 895 HA HIS 107 HA HIS 107 7.568 -10.270 -28.171 896 HB2 HIS 107 HB2 HIS 107 7.798 -10.051 -31.140 897 HB3 HIS 107 HB3 HIS 107 9.269 -10.123 -30.174 898 HD1 HIS 107 HD1 HIS 107 10.039 -12.388 -29.486 899 HD2 HIS 107 HD2 HIS 107 6.062 -12.381 -30.701 900 HE1 HIS 107 HE1 HIS 107 9.326 -14.800 -29.488 901 HE2 HIS 107 HE2 HIS 107 6.883 -14.763 -30.110 902 H HIS 108 H HIS 108 9.083 -9.146 -27.174 903 HA HIS 108 HA HIS 108 8.983 -6.249 -27.480 904 HB2 HIS 108 HB2 HIS 108 10.451 -7.910 -25.413 905 HB3 HIS 108 HB3 HIS 108 10.171 -6.174 -25.353 906 HD1 HIS 108 HD1 HIS 108 8.972 -9.103 -23.852 907 HD2 HIS 108 HD2 HIS 108 7.109 -5.760 -25.487 908 HE1 HIS 108 HE1 HIS 108 6.659 -9.061 -22.860 909 HE2 HIS 108 HE2 HIS 108 5.499 -7.125 -23.981 910 H HIS 109 H HIS 109 10.912 -4.970 -27.638 911 HA HIS 109 HA HIS 109 12.949 -6.321 -29.248 912 HB2 HIS 109 HB2 HIS 109 13.571 -4.128 -30.086 913 HB3 HIS 109 HB3 HIS 109 11.837 -4.352 -30.254 914 HD1 HIS 109 HD1 HIS 109 10.304 -2.736 -28.989 915 HD2 HIS 109 HD2 HIS 109 14.354 -2.149 -28.209 916 HE1 HIS 109 HE1 HIS 109 10.454 -0.542 -27.771 917 HE2 HIS 109 HE2 HIS 109 12.922 -0.114 -27.488 918 H HIS 110 H HIS 110 15.201 -5.255 -29.018 919 HA HIS 110 HA HIS 110 16.007 -5.630 -26.266 920 HB2 HIS 110 HB2 HIS 110 17.423 -6.652 -27.899 921 HB3 HIS 110 HB3 HIS 110 17.525 -5.173 -28.842 922 HD1 HIS 110 HD1 HIS 110 18.951 -6.833 -25.780 923 HD2 HIS 110 HD2 HIS 110 19.441 -3.338 -27.985 924 HE1 HIS 110 HE1 HIS 110 21.086 -5.801 -24.955 925 HE2 HIS 110 HE2 HIS 110 21.450 -3.777 -26.419 Start of MODEL 8 1 H1 MET 1 H1 MET 1 2.697 9.334 13.501 2 H2 MET 1 H2 MET 1 3.445 10.799 13.904 3 H3 MET 1 H3 MET 1 3.500 9.494 14.989 4 HA MET 1 HA MET 1 4.782 9.633 12.324 5 HB2 MET 1 HB2 MET 1 5.813 9.863 15.130 6 HB3 MET 1 HB3 MET 1 6.851 9.217 13.868 7 HG2 MET 1 HG2 MET 1 7.283 11.559 14.154 8 HG3 MET 1 HG3 MET 1 6.539 11.283 12.580 9 HE1 MET 1 HE1 MET 1 5.991 13.787 12.269 10 HE2 MET 1 HE2 MET 1 6.736 14.187 13.816 11 HE3 MET 1 HE3 MET 1 5.119 14.780 13.437 12 H ILE 2 H ILE 2 4.557 7.751 11.375 13 HA ILE 2 HA ILE 2 5.657 5.405 12.636 14 HB ILE 2 HB ILE 2 3.246 5.315 13.305 15 HG12 ILE 2 HG12 ILE 2 4.108 3.174 11.347 16 HG13 ILE 2 HG13 ILE 2 4.576 3.259 13.040 17 HG21 ILE 2 HG21 ILE 2 2.766 5.111 10.334 18 HG22 ILE 2 HG22 ILE 2 2.251 6.423 11.395 19 HG23 ILE 2 HG23 ILE 2 1.560 4.812 11.584 20 HD11 ILE 2 HD11 ILE 2 2.270 2.933 13.712 21 HD12 ILE 2 HD12 ILE 2 2.802 1.629 12.651 22 HD13 ILE 2 HD13 ILE 2 1.766 2.909 12.022 23 H THR 3 H THR 3 6.334 3.879 11.078 24 HA THR 3 HA THR 3 6.887 4.934 8.512 25 HB THR 3 HB THR 3 7.719 2.606 8.019 26 HG1 THR 3 HG1 THR 3 7.874 1.496 10.312 27 HG21 THR 3 HG21 THR 3 9.197 4.327 8.930 28 HG22 THR 3 HG22 THR 3 9.603 2.741 9.585 29 HG23 THR 3 HG23 THR 3 8.702 3.896 10.567 30 H PHE 4 H PHE 4 6.051 4.419 6.507 31 HA PHE 4 HA PHE 4 3.282 3.955 6.395 32 HB2 PHE 4 HB2 PHE 4 4.414 5.257 4.691 33 HB3 PHE 4 HB3 PHE 4 5.369 3.861 4.207 34 HD1 PHE 4 HD1 PHE 4 1.721 4.327 4.845 35 HD2 PHE 4 HD2 PHE 4 4.771 3.233 2.090 36 HE1 PHE 4 HE1 PHE 4 0.005 3.732 3.188 37 HE2 PHE 4 HE2 PHE 4 3.061 2.634 0.428 38 HZ PHE 4 HZ PHE 4 0.674 2.882 0.977 39 H ALA 5 H ALA 5 6.030 1.806 5.932 40 HA ALA 5 HA ALA 5 4.680 -0.381 4.828 41 HB1 ALA 5 HB1 ALA 5 7.124 -0.177 4.903 42 HB2 ALA 5 HB2 ALA 5 6.568 -1.718 5.557 43 HB3 ALA 5 HB3 ALA 5 7.083 -0.431 6.647 44 H ASP 6 H ASP 6 5.360 0.405 8.234 45 HA ASP 6 HA ASP 6 4.173 -1.969 9.250 46 HB2 ASP 6 HB2 ASP 6 5.882 -0.517 10.433 47 HB3 ASP 6 HB3 ASP 6 4.573 0.613 10.762 48 H TYR 7 H TYR 7 3.054 1.383 8.922 49 HA TYR 7 HA TYR 7 0.569 1.089 10.166 50 HB2 TYR 7 HB2 TYR 7 1.482 3.288 9.605 51 HB3 TYR 7 HB3 TYR 7 1.334 2.931 7.887 52 HD1 TYR 7 HD1 TYR 7 -0.538 3.685 10.969 53 HD2 TYR 7 HD2 TYR 7 -0.784 3.111 6.759 54 HE1 TYR 7 HE1 TYR 7 -2.821 4.598 10.982 55 HE2 TYR 7 HE2 TYR 7 -3.067 4.024 6.761 56 HH TYR 7 HH TYR 7 -4.895 4.414 8.221 57 H PHE 8 H PHE 8 1.511 0.587 6.787 58 HA PHE 8 HA PHE 8 -1.029 0.128 5.719 59 HB2 PHE 8 HB2 PHE 8 0.963 0.473 4.332 60 HB3 PHE 8 HB3 PHE 8 1.625 -1.063 4.882 61 HD1 PHE 8 HD1 PHE 8 -1.198 0.443 3.005 62 HD2 PHE 8 HD2 PHE 8 1.099 -3.055 3.787 63 HE1 PHE 8 HE1 PHE 8 -2.325 -0.711 1.149 64 HE2 PHE 8 HE2 PHE 8 -0.028 -4.213 1.933 65 HZ PHE 8 HZ PHE 8 -1.742 -3.041 0.612 66 H TYR 9 H TYR 9 1.331 -2.178 7.035 67 HA TYR 9 HA TYR 9 -0.249 -4.475 6.564 68 HB2 TYR 9 HB2 TYR 9 2.242 -4.426 7.004 69 HB3 TYR 9 HB3 TYR 9 1.861 -4.174 8.704 70 HD1 TYR 9 HD1 TYR 9 0.820 -5.965 10.024 71 HD2 TYR 9 HD2 TYR 9 1.915 -6.562 5.959 72 HE1 TYR 9 HE1 TYR 9 0.603 -8.390 10.332 73 HE2 TYR 9 HE2 TYR 9 1.711 -8.992 6.251 74 HH TYR 9 HH TYR 9 1.750 -10.641 7.964 75 H GLN 10 H GLN 10 0.236 -2.437 9.417 76 HA GLN 10 HA GLN 10 -1.373 -3.876 11.199 77 HB2 GLN 10 HB2 GLN 10 0.175 -2.080 11.873 78 HB3 GLN 10 HB3 GLN 10 -0.857 -0.893 11.090 79 HG2 GLN 10 HG2 GLN 10 -2.665 -1.460 12.655 80 HG3 GLN 10 HG3 GLN 10 -1.583 -2.598 13.458 81 HE21 GLN 10 HE21 GLN 10 -2.339 0.738 12.907 82 HE22 GLN 10 HE22 GLN 10 -1.304 1.388 14.127 83 H TRP 11 H TRP 11 -2.158 -1.232 8.975 84 HA TRP 11 HA TRP 11 -4.836 -0.855 9.636 85 HB2 TRP 11 HB2 TRP 11 -3.718 0.699 8.194 86 HB3 TRP 11 HB3 TRP 11 -3.373 -0.556 7.012 87 HD1 TRP 11 HD1 TRP 11 -6.390 1.427 8.411 88 HE1 TRP 11 HE1 TRP 11 -8.190 1.529 6.572 89 HE3 TRP 11 HE3 TRP 11 -4.154 -1.560 4.922 90 HZ2 TRP 11 HZ2 TRP 11 -8.603 0.480 3.986 91 HZ3 TRP 11 HZ3 TRP 11 -5.315 -1.959 2.793 92 HH2 TRP 11 HH2 TRP 11 -7.494 -0.960 2.335 93 H TYR 12 H TYR 12 -3.417 -3.018 7.196 94 HA TYR 12 HA TYR 12 -5.815 -4.218 6.367 95 HB2 TYR 12 HB2 TYR 12 -4.029 -4.654 4.949 96 HB3 TYR 12 HB3 TYR 12 -2.925 -5.000 6.275 97 HD1 TYR 12 HD2 TYR 12 -5.979 -6.378 4.613 98 HD2 TYR 12 HD1 TYR 12 -2.395 -7.202 6.756 99 HE1 TYR 12 HE2 TYR 12 -6.359 -8.786 4.317 100 HE2 TYR 12 HE1 TYR 12 -2.768 -9.611 6.465 101 HH TYR 12 HH TYR 12 -4.631 -11.133 6.058 102 H GLU 13 H GLU 13 -3.525 -5.117 8.906 103 HA GLU 13 HA GLU 13 -4.671 -7.584 9.583 104 HB2 GLU 13 HB2 GLU 13 -2.408 -6.906 10.236 105 HB3 GLU 13 HB3 GLU 13 -3.075 -5.674 11.297 106 HG2 GLU 13 HG2 GLU 13 -4.033 -7.347 12.725 107 HG3 GLU 13 HG3 GLU 13 -3.547 -8.628 11.616 108 H VAL 14 H VAL 14 -5.340 -4.325 10.776 109 HA VAL 14 HA VAL 14 -7.104 -5.218 12.845 110 HB VAL 14 HB VAL 14 -6.764 -2.467 11.635 111 HG11 VAL 14 HG11 VAL 14 -7.847 -1.610 13.642 112 HG12 VAL 14 HG12 VAL 14 -8.116 -3.256 14.214 113 HG13 VAL 14 HG13 VAL 14 -8.931 -2.684 12.758 114 HG21 VAL 14 HG21 VAL 14 -5.440 -2.005 13.650 115 HG22 VAL 14 HG22 VAL 14 -4.726 -3.276 12.659 116 HG23 VAL 14 HG23 VAL 14 -5.605 -3.693 14.130 117 H ASN 15 H ASN 15 -7.488 -4.719 9.454 118 HA ASN 15 HA ASN 15 -10.389 -4.369 9.812 119 HB2 ASN 15 HB2 ASN 15 -8.541 -3.404 7.649 120 HB3 ASN 15 HB3 ASN 15 -10.280 -3.496 7.396 121 HD21 ASN 15 HD21 ASN 15 -7.700 -1.891 9.059 122 HD22 ASN 15 HD22 ASN 15 -8.637 -0.557 9.648 123 H LYS 16 H LYS 16 -8.294 -5.640 7.188 124 HA LYS 16 HA LYS 16 -10.573 -7.179 6.267 125 HB2 LYS 16 HB2 LYS 16 -7.858 -6.621 5.095 126 HB3 LYS 16 HB3 LYS 16 -8.965 -7.771 4.368 127 HG2 LYS 16 HG2 LYS 16 -9.204 -5.738 3.193 128 HG3 LYS 16 HG3 LYS 16 -10.639 -5.909 4.201 129 HD2 LYS 16 HD2 LYS 16 -9.665 -4.379 5.843 130 HD3 LYS 16 HD3 LYS 16 -8.224 -4.215 4.837 131 HE2 LYS 16 HE2 LYS 16 -9.730 -2.321 4.541 132 HE3 LYS 16 HE3 LYS 16 -9.565 -3.247 3.052 133 HZ1 LYS 16 HZ1 LYS 16 -11.868 -2.566 3.560 134 HZ2 LYS 16 HZ2 LYS 16 -11.833 -3.536 4.952 135 HZ3 LYS 16 HZ3 LYS 16 -11.692 -4.246 3.419 136 H LEU 17 H LEU 17 -7.958 -7.804 8.290 137 HA LEU 17 HA LEU 17 -6.844 -10.147 7.385 138 HB2 LEU 17 HB2 LEU 17 -6.016 -8.846 9.303 139 HB3 LEU 17 HB3 LEU 17 -7.349 -9.448 10.271 140 HG LEU 17 HG LEU 17 -6.475 -11.765 9.925 141 HD11 LEU 17 HD11 LEU 17 -5.227 -11.399 7.883 142 HD12 LEU 17 HD12 LEU 17 -4.159 -12.007 9.148 143 HD13 LEU 17 HD13 LEU 17 -4.138 -10.295 8.721 144 HD21 LEU 17 HD21 LEU 17 -4.650 -11.548 11.517 145 HD22 LEU 17 HD22 LEU 17 -5.996 -10.500 11.961 146 HD23 LEU 17 HD23 LEU 17 -4.562 -9.816 11.197 147 HA PRO 18 HA PRO 18 -9.848 -12.977 9.653 148 HB2 PRO 18 HB2 PRO 18 -12.014 -11.845 10.990 149 HB3 PRO 18 HB3 PRO 18 -10.494 -12.352 11.723 150 HG2 PRO 18 HG2 PRO 18 -11.501 -9.697 11.405 151 HG3 PRO 18 HG3 PRO 18 -9.974 -10.206 12.137 152 HD2 PRO 18 HD2 PRO 18 -10.484 -9.076 9.482 153 HD3 PRO 18 HD3 PRO 18 -8.959 -9.206 10.379 154 H HIS 19 H HIS 19 -10.559 -11.144 7.222 155 HA HIS 19 HA HIS 19 -13.256 -12.263 6.830 156 HB2 HIS 19 HB2 HIS 19 -12.241 -9.593 5.827 157 HB3 HIS 19 HB3 HIS 19 -13.833 -10.270 5.509 158 HD2 HIS 19 HD2 HIS 19 -11.904 -8.381 8.254 159 HE1 HIS 19 HE1 HIS 19 -15.824 -9.108 9.664 160 HE2 HIS 19 HE2 HIS 19 -13.590 -8.038 10.198 161 H VAL 20 H VAL 20 -10.252 -11.231 5.276 162 HA VAL 20 HA VAL 20 -11.091 -12.273 2.718 163 HB VAL 20 HB VAL 20 -8.920 -11.537 1.892 164 HG11 VAL 20 HG11 VAL 20 -9.155 -9.135 2.346 165 HG12 VAL 20 HG12 VAL 20 -10.245 -9.501 3.684 166 HG13 VAL 20 HG13 VAL 20 -10.713 -9.899 2.030 167 HG21 VAL 20 HG21 VAL 20 -7.300 -10.438 3.345 168 HG22 VAL 20 HG22 VAL 20 -7.566 -12.106 3.854 169 HG23 VAL 20 HG23 VAL 20 -8.310 -10.782 4.750 170 H SER 21 H SER 21 -10.216 -14.014 1.624 171 HA SER 21 HA SER 21 -9.254 -16.182 3.235 172 HB2 SER 21 HB2 SER 21 -9.511 -15.987 0.225 173 HB3 SER 21 HB3 SER 21 -9.315 -17.468 1.161 174 HG SER 21 HG SER 21 -11.371 -16.282 2.226 175 H GLU 22 H GLU 22 -7.333 -17.502 2.300 176 HA GLU 22 HA GLU 22 -5.005 -16.036 2.769 177 HB2 GLU 22 HB2 GLU 22 -3.775 -18.014 2.233 178 HB3 GLU 22 HB3 GLU 22 -5.247 -18.508 3.048 179 HG2 GLU 22 HG2 GLU 22 -4.805 -18.593 0.069 180 HG3 GLU 22 HG3 GLU 22 -4.653 -19.966 1.160 181 H SER 23 H SER 23 -6.595 -16.869 -0.253 182 HA SER 23 HA SER 23 -4.590 -16.127 -2.047 183 HB2 SER 23 HB2 SER 23 -6.569 -15.658 -3.598 184 HB3 SER 23 HB3 SER 23 -6.477 -17.279 -2.905 185 HG SER 23 HG SER 23 -8.340 -16.934 -2.016 186 H THR 24 H THR 24 -7.155 -14.161 -0.563 187 HA THR 24 HA THR 24 -6.375 -11.733 -1.823 188 HB THR 24 HB THR 24 -7.868 -11.981 0.790 189 HG1 THR 24 HG1 THR 24 -8.603 -12.718 -1.771 190 HG21 THR 24 HG21 THR 24 -7.869 -9.879 -1.382 191 HG22 THR 24 HG22 THR 24 -7.192 -9.714 0.239 192 HG23 THR 24 HG23 THR 24 -8.934 -9.882 0.028 193 H LYS 25 H LYS 25 -5.526 -13.335 1.187 194 HA LYS 25 HA LYS 25 -4.198 -11.237 2.472 195 HB2 LYS 25 HB2 LYS 25 -3.556 -14.190 2.573 196 HB3 LYS 25 HB3 LYS 25 -2.990 -12.985 3.721 197 HG2 LYS 25 HG2 LYS 25 -5.365 -12.529 4.312 198 HG3 LYS 25 HG3 LYS 25 -5.828 -13.875 3.270 199 HD2 LYS 25 HD2 LYS 25 -5.714 -14.625 5.570 200 HD3 LYS 25 HD3 LYS 25 -4.419 -15.377 4.635 201 HE2 LYS 25 HE2 LYS 25 -2.839 -13.721 5.485 202 HE3 LYS 25 HE3 LYS 25 -4.131 -12.950 6.404 203 HZ1 LYS 25 HZ1 LYS 25 -3.193 -15.743 6.794 204 HZ2 LYS 25 HZ2 LYS 25 -4.379 -14.943 7.710 205 HZ3 LYS 25 HZ3 LYS 25 -2.768 -14.417 7.767 206 H ARG 26 H ARG 26 -3.042 -13.573 0.083 207 HA ARG 26 HA ARG 26 -0.321 -12.859 0.242 208 HB2 ARG 26 HB2 ARG 26 -1.864 -14.128 -2.022 209 HB3 ARG 26 HB3 ARG 26 -0.111 -14.000 -1.963 210 HG2 ARG 26 HG2 ARG 26 -1.870 -15.521 -0.053 211 HG3 ARG 26 HG3 ARG 26 -0.784 -16.203 -1.264 212 HD2 ARG 26 HD2 ARG 26 0.119 -14.465 1.026 213 HD3 ARG 26 HD3 ARG 26 0.104 -16.226 1.074 214 HE ARG 26 HE ARG 26 1.545 -15.653 -1.163 215 HH11 ARG 26 HH11 ARG 26 1.779 -14.529 2.156 216 HH12 ARG 26 HH12 ARG 26 3.521 -14.510 2.141 217 HH21 ARG 26 HH21 ARG 26 3.818 -15.577 -1.178 218 HH22 ARG 26 HH22 ARG 26 4.674 -15.104 0.263 219 H HIS 27 H HIS 27 -3.002 -11.497 -1.567 220 HA HIS 27 HA HIS 27 -1.477 -9.839 -3.280 221 HB2 HIS 27 HB2 HIS 27 -4.295 -9.677 -2.236 222 HB3 HIS 27 HB3 HIS 27 -3.616 -8.370 -3.199 223 HD2 HIS 27 HD2 HIS 27 -4.798 -12.062 -3.606 224 HE1 HIS 27 HE1 HIS 27 -4.117 -10.372 -7.427 225 HE2 HIS 27 HE2 HIS 27 -4.948 -12.419 -6.181 226 H TYR 28 H TYR 28 -2.881 -9.307 -0.069 227 HA TYR 28 HA TYR 28 -1.904 -6.665 0.229 228 HB2 TYR 28 HB2 TYR 28 -2.993 -8.722 2.110 229 HB3 TYR 28 HB3 TYR 28 -2.217 -7.282 2.762 230 HD1 TYR 28 HD2 TYR 28 -3.209 -5.085 2.444 231 HD2 TYR 28 HD1 TYR 28 -5.130 -8.586 0.982 232 HE1 TYR 28 HE2 TYR 28 -5.294 -3.817 2.173 233 HE2 TYR 28 HE1 TYR 28 -7.226 -7.327 0.711 234 HH TYR 28 HH TYR 28 -7.353 -3.925 0.882 235 H GLU 29 H GLU 29 -0.605 -9.830 1.189 236 HA GLU 29 HA GLU 29 1.642 -8.785 2.553 237 HB2 GLU 29 HB2 GLU 29 1.274 -11.474 1.226 238 HB3 GLU 29 HB3 GLU 29 2.617 -11.056 2.282 239 HG2 GLU 29 HG2 GLU 29 0.875 -10.539 4.051 240 HG3 GLU 29 HG3 GLU 29 -0.287 -11.325 2.984 241 H SER 30 H SER 30 1.100 -9.679 -0.824 242 HA SER 30 HA SER 30 3.736 -9.291 -1.733 243 HB2 SER 30 HB2 SER 30 1.946 -10.361 -3.090 244 HB3 SER 30 HB3 SER 30 1.152 -8.795 -3.244 245 HG SER 30 HG SER 30 2.611 -8.176 -4.665 246 H ALA 31 H ALA 31 0.970 -7.083 -1.500 247 HA ALA 31 HA ALA 31 2.213 -4.760 -2.428 248 HB1 ALA 31 HB1 ALA 31 0.063 -5.012 -0.325 249 HB2 ALA 31 HB2 ALA 31 -0.205 -4.959 -2.067 250 HB3 ALA 31 HB3 ALA 31 0.461 -3.555 -1.234 251 H TYR 32 H TYR 32 1.958 -6.096 0.844 252 HA TYR 32 HA TYR 32 3.306 -4.083 2.216 253 HB2 TYR 32 HB2 TYR 32 2.074 -5.795 3.406 254 HB3 TYR 32 HB3 TYR 32 3.157 -7.047 2.805 255 HD1 TYR 32 HD1 TYR 32 3.321 -3.836 4.719 256 HD2 TYR 32 HD2 TYR 32 4.829 -7.782 4.222 257 HE1 TYR 32 HE1 TYR 32 4.755 -3.526 6.689 258 HE2 TYR 32 HE2 TYR 32 6.273 -7.484 6.190 259 HH TYR 32 HH TYR 32 5.909 -4.918 8.381 260 H LYS 33 H LYS 33 4.600 -7.001 0.635 261 HA LYS 33 HA LYS 33 7.239 -6.824 1.460 262 HB2 LYS 33 HB2 LYS 33 6.162 -7.720 -1.210 263 HB3 LYS 33 HB3 LYS 33 7.832 -7.936 -0.704 264 HG2 LYS 33 HG2 LYS 33 7.033 -9.265 1.205 265 HG3 LYS 33 HG3 LYS 33 5.393 -9.124 0.572 266 HD2 LYS 33 HD2 LYS 33 7.754 -10.438 -0.767 267 HD3 LYS 33 HD3 LYS 33 6.320 -11.239 -0.124 268 HE2 LYS 33 HE2 LYS 33 4.933 -10.143 -1.782 269 HE3 LYS 33 HE3 LYS 33 6.324 -9.246 -2.386 270 HZ1 LYS 33 HZ1 LYS 33 5.926 -11.072 -3.829 271 HZ2 LYS 33 HZ2 LYS 33 5.876 -12.176 -2.549 272 HZ3 LYS 33 HZ3 LYS 33 7.341 -11.424 -2.960 273 H HIS 34 H HIS 34 5.772 -5.350 -1.422 274 HA HIS 34 HA HIS 34 8.208 -4.233 -2.282 275 HB2 HIS 34 HB2 HIS 34 5.355 -3.611 -3.020 276 HB3 HIS 34 HB3 HIS 34 6.725 -2.795 -3.768 277 HD1 HIS 34 HD1 HIS 34 8.213 -4.221 -5.392 278 HD2 HIS 34 HD2 HIS 34 4.916 -6.216 -3.830 279 HE1 HIS 34 HE1 HIS 34 7.959 -6.340 -6.739 280 H ILE 35 H ILE 35 5.610 -3.003 -0.264 281 HA ILE 35 HA ILE 35 6.633 -0.346 -0.049 282 HB ILE 35 HB ILE 35 4.820 -1.872 1.836 283 HG12 ILE 35 HG12 ILE 35 4.163 0.145 -0.319 284 HG13 ILE 35 HG13 ILE 35 3.956 -1.596 -0.478 285 HG21 ILE 35 HG21 ILE 35 5.398 1.082 1.654 286 HG22 ILE 35 HG22 ILE 35 5.876 0.002 2.965 287 HG23 ILE 35 HG23 ILE 35 4.169 0.341 2.679 288 HD11 ILE 35 HD11 ILE 35 2.314 -1.572 1.315 289 HD12 ILE 35 HD12 ILE 35 1.855 -0.474 0.013 290 HD13 ILE 35 HD13 ILE 35 2.538 0.166 1.507 291 H LYS 36 H LYS 36 6.957 -3.288 1.832 292 HA LYS 36 HA LYS 36 8.620 -2.363 3.892 293 HB2 LYS 36 HB2 LYS 36 7.548 -4.470 4.120 294 HB3 LYS 36 HB3 LYS 36 8.182 -5.047 2.590 295 HG2 LYS 36 HG2 LYS 36 10.455 -5.050 3.619 296 HG3 LYS 36 HG3 LYS 36 9.686 -4.671 5.165 297 HD2 LYS 36 HD2 LYS 36 8.442 -6.708 5.136 298 HD3 LYS 36 HD3 LYS 36 8.916 -7.042 3.471 299 HE2 LYS 36 HE2 LYS 36 10.199 -8.455 4.899 300 HE3 LYS 36 HE3 LYS 36 11.275 -7.218 4.256 301 HZ1 LYS 36 HZ1 LYS 36 10.003 -7.096 6.939 302 HZ2 LYS 36 HZ2 LYS 36 11.184 -6.045 6.325 303 HZ3 LYS 36 HZ3 LYS 36 11.574 -7.661 6.648 304 H ASP 37 H ASP 37 9.282 -3.161 0.580 305 HA ASP 37 HA ASP 37 12.138 -3.248 0.934 306 HB2 ASP 37 HB2 ASP 37 11.107 -4.543 -0.856 307 HB3 ASP 37 HB3 ASP 37 10.452 -3.074 -1.571 308 H HIS 38 H HIS 38 9.796 -0.921 -0.378 309 HA HIS 38 HA HIS 38 11.936 0.929 -1.036 310 HB2 HIS 38 HB2 HIS 38 8.958 1.029 -1.495 311 HB3 HIS 38 HB3 HIS 38 10.040 2.348 -1.921 312 HD1 HIS 38 HD1 HIS 38 10.808 2.290 -4.265 313 HD2 HIS 38 HD2 HIS 38 9.887 -1.509 -2.844 314 HE1 HIS 38 HE1 HIS 38 11.117 0.738 -6.219 315 HE2 HIS 38 HE2 HIS 38 10.805 -1.572 -5.258 316 H PHE 39 H PHE 39 9.118 0.900 1.141 317 HA PHE 39 HA PHE 39 10.070 3.454 2.259 318 HB2 PHE 39 HB2 PHE 39 7.297 2.245 2.365 319 HB3 PHE 39 HB3 PHE 39 7.765 3.797 3.053 320 HD1 PHE 39 HD2 PHE 39 8.766 5.517 1.399 321 HD2 PHE 39 HD1 PHE 39 6.454 2.151 0.212 322 HE1 PHE 39 HE2 PHE 39 8.265 6.630 -0.735 323 HE2 PHE 39 HE1 PHE 39 5.949 3.249 -1.932 324 HZ PHE 39 HZ PHE 39 6.856 5.493 -2.408 325 H ARG 40 H ARG 40 11.614 2.059 3.420 326 HA ARG 40 HA ARG 40 10.610 0.275 5.433 327 HB2 ARG 40 HB2 ARG 40 13.422 1.232 4.887 328 HB3 ARG 40 HB3 ARG 40 12.979 -0.096 5.958 329 HG2 ARG 40 HG2 ARG 40 11.892 -1.189 3.988 330 HG3 ARG 40 HG3 ARG 40 12.618 0.063 2.984 331 HD2 ARG 40 HD2 ARG 40 14.780 -0.715 3.373 332 HD3 ARG 40 HD3 ARG 40 14.293 -1.631 4.803 333 HE ARG 40 HE ARG 40 12.859 -2.832 2.907 334 HH11 ARG 40 HH11 ARG 40 16.259 -1.967 2.948 335 HH12 ARG 40 HH12 ARG 40 16.723 -3.285 1.919 336 HH21 ARG 40 HH21 ARG 40 13.482 -4.543 1.541 337 HH22 ARG 40 HH22 ARG 40 15.147 -4.734 1.103 338 H HIS 41 H HIS 41 11.969 3.535 5.377 339 HA HIS 41 HA HIS 41 11.102 3.800 8.174 340 HB2 HIS 41 HB2 HIS 41 13.818 4.288 7.090 341 HB3 HIS 41 HB3 HIS 41 13.200 5.474 8.237 342 HD1 HIS 41 HD1 HIS 41 13.153 4.824 10.683 343 HD2 HIS 41 HD2 HIS 41 14.084 1.645 8.166 344 HE1 HIS 41 HE1 HIS 41 13.869 2.944 12.193 345 HE2 HIS 41 HE2 HIS 41 14.528 1.064 10.646 346 H LYS 42 H LYS 42 10.254 4.649 5.354 347 HA LYS 42 HA LYS 42 10.146 7.526 5.688 348 HB2 LYS 42 HB2 LYS 42 10.405 6.649 3.430 349 HB3 LYS 42 HB3 LYS 42 8.930 5.709 3.598 350 HG2 LYS 42 HG2 LYS 42 7.568 7.582 3.445 351 HG3 LYS 42 HG3 LYS 42 8.877 8.692 3.858 352 HD2 LYS 42 HD2 LYS 42 8.802 7.048 1.337 353 HD3 LYS 42 HD3 LYS 42 8.175 8.695 1.445 354 HE2 LYS 42 HE2 LYS 42 10.966 8.068 2.314 355 HE3 LYS 42 HE3 LYS 42 10.596 8.300 0.605 356 HZ1 LYS 42 HZ1 LYS 42 9.783 10.481 1.069 357 HZ2 LYS 42 HZ2 LYS 42 11.335 10.342 1.736 358 HZ3 LYS 42 HZ3 LYS 42 9.972 10.268 2.743 359 H LEU 43 H LEU 43 8.700 8.466 6.900 360 HA LEU 43 HA LEU 43 6.690 7.074 8.282 361 HB2 LEU 43 HB2 LEU 43 6.974 10.045 7.828 362 HB3 LEU 43 HB3 LEU 43 5.915 9.302 9.008 363 HG LEU 43 HG LEU 43 8.931 9.183 9.025 364 HD11 LEU 43 HD11 LEU 43 8.739 10.598 11.002 365 HD12 LEU 43 HD12 LEU 43 6.986 10.652 10.798 366 HD13 LEU 43 HD13 LEU 43 8.039 11.383 9.584 367 HD21 LEU 43 HD21 LEU 43 6.917 8.116 11.002 368 HD22 LEU 43 HD22 LEU 43 8.667 8.138 11.222 369 HD23 LEU 43 HD23 LEU 43 7.950 7.150 9.949 370 H LEU 44 H LEU 44 4.427 7.366 8.237 371 HA LEU 44 HA LEU 44 3.138 7.078 5.799 372 HB2 LEU 44 HB2 LEU 44 2.232 6.446 8.019 373 HB3 LEU 44 HB3 LEU 44 2.002 8.142 8.390 374 HG LEU 44 HG LEU 44 0.415 8.259 6.440 375 HD11 LEU 44 HD11 LEU 44 0.635 5.256 6.572 376 HD12 LEU 44 HD12 LEU 44 1.216 6.273 5.255 377 HD13 LEU 44 HD13 LEU 44 -0.511 6.176 5.598 378 HD21 LEU 44 HD21 LEU 44 -0.345 8.104 8.759 379 HD22 LEU 44 HD22 LEU 44 -0.278 6.344 8.662 380 HD23 LEU 44 HD23 LEU 44 -1.425 7.239 7.665 381 H LYS 45 H LYS 45 3.955 9.959 7.587 382 HA LYS 45 HA LYS 45 2.334 11.698 5.917 383 HB2 LYS 45 HB2 LYS 45 3.193 13.492 7.361 384 HB3 LYS 45 HB3 LYS 45 2.519 12.172 8.310 385 HG2 LYS 45 HG2 LYS 45 4.714 11.349 8.831 386 HG3 LYS 45 HG3 LYS 45 5.459 12.528 7.752 387 HD2 LYS 45 HD2 LYS 45 3.832 13.225 10.192 388 HD3 LYS 45 HD3 LYS 45 5.594 13.143 10.150 389 HE2 LYS 45 HE2 LYS 45 3.928 14.950 8.399 390 HE3 LYS 45 HE3 LYS 45 4.677 15.448 9.913 391 HZ1 LYS 45 HZ1 LYS 45 6.116 16.114 8.190 392 HZ2 LYS 45 HZ2 LYS 45 6.035 14.614 7.410 393 HZ3 LYS 45 HZ3 LYS 45 6.846 14.752 8.889 394 H ASP 46 H ASP 46 5.318 10.261 5.651 395 HA ASP 46 HA ASP 46 6.610 12.600 4.432 396 HB2 ASP 46 HB2 ASP 46 7.774 11.388 6.300 397 HB3 ASP 46 HB3 ASP 46 7.877 9.979 5.253 398 H ILE 47 H ILE 47 4.635 10.370 3.425 399 HA ILE 47 HA ILE 47 6.068 9.222 1.223 400 HB ILE 47 HB ILE 47 3.080 9.372 1.661 401 HG12 ILE 47 HG12 ILE 47 4.228 8.193 3.489 402 HG13 ILE 47 HG13 ILE 47 3.276 7.081 2.511 403 HG21 ILE 47 HG21 ILE 47 2.979 7.502 0.074 404 HG22 ILE 47 HG22 ILE 47 4.721 7.624 -0.174 405 HG23 ILE 47 HG23 ILE 47 3.666 8.949 -0.665 406 HD11 ILE 47 HD11 ILE 47 5.291 6.333 1.379 407 HD12 ILE 47 HD12 ILE 47 5.435 6.139 3.126 408 HD13 ILE 47 HD13 ILE 47 6.251 7.476 2.318 409 H LYS 48 H LYS 48 6.911 10.826 -0.007 410 HA LYS 48 HA LYS 48 5.412 13.016 -1.022 411 HB2 LYS 48 HB2 LYS 48 7.862 13.056 -0.872 412 HB3 LYS 48 HB3 LYS 48 7.968 11.728 -2.018 413 HG2 LYS 48 HG2 LYS 48 7.130 13.103 -3.784 414 HG3 LYS 48 HG3 LYS 48 6.790 14.419 -2.659 415 HD2 LYS 48 HD2 LYS 48 9.569 13.331 -2.984 416 HD3 LYS 48 HD3 LYS 48 8.929 14.536 -4.097 417 HE2 LYS 48 HE2 LYS 48 10.169 15.674 -2.398 418 HE3 LYS 48 HE3 LYS 48 8.459 16.006 -2.145 419 HZ1 LYS 48 HZ1 LYS 48 9.632 15.533 -0.073 420 HZ2 LYS 48 HZ2 LYS 48 10.050 13.991 -0.641 421 HZ3 LYS 48 HZ3 LYS 48 8.418 14.390 -0.368 422 H ARG 49 H ARG 49 4.074 13.098 -2.768 423 HA ARG 49 HA ARG 49 3.055 10.680 -3.782 424 HB2 ARG 49 HB2 ARG 49 1.662 12.006 -5.234 425 HB3 ARG 49 HB3 ARG 49 1.729 12.745 -3.645 426 HG2 ARG 49 HG2 ARG 49 3.372 14.370 -4.506 427 HG3 ARG 49 HG3 ARG 49 3.194 13.653 -6.112 428 HD2 ARG 49 HD2 ARG 49 0.794 14.162 -6.052 429 HD3 ARG 49 HD3 ARG 49 1.000 14.913 -4.472 430 HE ARG 49 HE ARG 49 2.372 15.950 -6.877 431 HH11 ARG 49 HH11 ARG 49 0.408 16.413 -4.016 432 HH12 ARG 49 HH12 ARG 49 0.266 18.132 -4.220 433 HH21 ARG 49 HH21 ARG 49 2.189 18.202 -7.169 434 HH22 ARG 49 HH22 ARG 49 1.277 19.153 -6.034 435 H THR 50 H THR 50 5.588 12.766 -4.923 436 HA THR 50 HA THR 50 5.839 11.706 -7.523 437 HB THR 50 HB THR 50 8.043 12.809 -5.765 438 HG1 THR 50 HG1 THR 50 6.343 14.171 -7.624 439 HG21 THR 50 HG21 THR 50 8.871 11.678 -7.758 440 HG22 THR 50 HG22 THR 50 9.074 13.423 -7.920 441 HG23 THR 50 HG23 THR 50 7.757 12.605 -8.765 442 H GLU 51 H GLU 51 7.114 10.702 -4.379 443 HA GLU 51 HA GLU 51 8.746 8.599 -5.405 444 HB2 GLU 51 HB2 GLU 51 7.648 9.092 -2.634 445 HB3 GLU 51 HB3 GLU 51 8.768 7.795 -3.028 446 HG2 GLU 51 HG2 GLU 51 10.410 9.464 -3.757 447 HG3 GLU 51 HG3 GLU 51 9.291 10.743 -3.297 448 H TYR 52 H TYR 52 5.435 8.877 -4.311 449 HA TYR 52 HA TYR 52 4.880 6.100 -4.262 450 HB2 TYR 52 HB2 TYR 52 3.457 7.808 -3.148 451 HB3 TYR 52 HB3 TYR 52 2.943 8.378 -4.735 452 HD1 TYR 52 HD1 TYR 52 3.034 5.313 -2.625 453 HD2 TYR 52 HD2 TYR 52 1.072 7.427 -5.752 454 HE1 TYR 52 HE1 TYR 52 1.257 3.617 -2.647 455 HE2 TYR 52 HE2 TYR 52 -0.712 5.736 -5.782 456 HH TYR 52 HH TYR 52 -1.131 3.461 -3.331 457 H GLN 53 H GLN 53 4.522 8.600 -6.754 458 HA GLN 53 HA GLN 53 3.463 6.934 -8.753 459 HB2 GLN 53 HB2 GLN 53 3.504 9.402 -8.904 460 HB3 GLN 53 HB3 GLN 53 5.249 9.351 -9.102 461 HG2 GLN 53 HG2 GLN 53 4.100 9.676 -11.229 462 HG3 GLN 53 HG3 GLN 53 5.009 8.168 -11.204 463 HE21 GLN 53 HE21 GLN 53 3.908 6.210 -11.224 464 HE22 GLN 53 HE22 GLN 53 2.225 6.100 -11.604 465 H LYS 54 H LYS 54 6.815 7.663 -7.837 466 HA LYS 54 HA LYS 54 8.162 6.162 -9.769 467 HB2 LYS 54 HB2 LYS 54 8.822 6.597 -6.851 468 HB3 LYS 54 HB3 LYS 54 9.923 5.853 -7.997 469 HG2 LYS 54 HG2 LYS 54 10.163 7.865 -9.215 470 HG3 LYS 54 HG3 LYS 54 8.813 8.620 -8.361 471 HD2 LYS 54 HD2 LYS 54 10.072 8.582 -6.284 472 HD3 LYS 54 HD3 LYS 54 11.403 7.744 -7.082 473 HE2 LYS 54 HE2 LYS 54 10.412 10.461 -7.915 474 HE3 LYS 54 HE3 LYS 54 11.714 10.219 -6.751 475 HZ1 LYS 54 HZ1 LYS 54 12.955 9.021 -8.452 476 HZ2 LYS 54 HZ2 LYS 54 12.589 10.597 -8.960 477 HZ3 LYS 54 HZ3 LYS 54 11.709 9.283 -9.571 478 H PHE 55 H PHE 55 6.913 5.199 -6.610 479 HA PHE 55 HA PHE 55 7.650 2.523 -6.600 480 HB2 PHE 55 HB2 PHE 55 6.776 3.710 -4.645 481 HB3 PHE 55 HB3 PHE 55 5.197 3.837 -5.409 482 HD1 PHE 55 HD2 PHE 55 7.682 1.320 -4.258 483 HD2 PHE 55 HD1 PHE 55 3.591 2.237 -4.988 484 HE1 PHE 55 HE2 PHE 55 7.023 -0.811 -3.219 485 HE2 PHE 55 HE1 PHE 55 2.921 0.110 -3.949 486 HZ PHE 55 HZ PHE 55 4.639 -1.418 -3.061 487 H LEU 56 H LEU 56 4.662 4.013 -7.832 488 HA LEU 56 HA LEU 56 3.435 1.605 -8.639 489 HB2 LEU 56 HB2 LEU 56 3.048 4.431 -9.607 490 HB3 LEU 56 HB3 LEU 56 2.046 3.086 -10.112 491 HG LEU 56 HG LEU 56 2.314 4.118 -7.290 492 HD11 LEU 56 HD11 LEU 56 -0.003 4.827 -7.595 493 HD12 LEU 56 HD12 LEU 56 0.052 4.280 -9.271 494 HD13 LEU 56 HD13 LEU 56 1.073 5.617 -8.746 495 HD21 LEU 56 HD21 LEU 56 1.929 1.691 -7.378 496 HD22 LEU 56 HD22 LEU 56 0.521 1.962 -8.407 497 HD23 LEU 56 HD23 LEU 56 0.529 2.560 -6.748 498 H ASN 57 H ASN 57 5.551 3.858 -10.364 499 HA ASN 57 HA ASN 57 5.245 2.756 -12.930 500 HB2 ASN 57 HB2 ASN 57 7.567 4.240 -11.695 501 HB3 ASN 57 HB3 ASN 57 7.511 3.777 -13.391 502 HD21 ASN 57 HD21 ASN 57 7.679 6.407 -12.246 503 HD22 ASN 57 HD22 ASN 57 6.289 7.278 -12.802 504 H GLU 58 H GLU 58 7.559 2.022 -10.352 505 HA GLU 58 HA GLU 58 8.971 0.064 -11.871 506 HB2 GLU 58 HB2 GLU 58 8.853 0.366 -8.865 507 HB3 GLU 58 HB3 GLU 58 10.069 -0.513 -9.781 508 HG2 GLU 58 HG2 GLU 58 9.613 2.459 -9.747 509 HG3 GLU 58 HG3 GLU 58 10.979 1.578 -9.069 510 H TYR 59 H TYR 59 6.239 -0.001 -9.682 511 HA TYR 59 HA TYR 59 6.145 -2.829 -9.369 512 HB2 TYR 59 HB2 TYR 59 5.072 -1.097 -7.859 513 HB3 TYR 59 HB3 TYR 59 3.835 -0.899 -9.094 514 HD1 TYR 59 HD2 TYR 59 2.220 -2.694 -9.532 515 HD2 TYR 59 HD1 TYR 59 5.138 -3.060 -6.453 516 HE1 TYR 59 HE2 TYR 59 0.949 -4.555 -8.547 517 HE2 TYR 59 HE1 TYR 59 3.872 -4.915 -5.465 518 HH TYR 59 HH TYR 59 1.409 -5.678 -5.477 519 H GLY 60 H GLY 60 4.677 -0.526 -11.599 520 HA2 GLY 60 HA2 GLY 60 2.983 -2.461 -12.879 521 HA3 GLY 60 HA3 GLY 60 3.305 -0.825 -13.430 522 H LEU 61 H LEU 61 6.278 -1.916 -13.041 523 HA LEU 61 HA LEU 61 6.545 -2.862 -15.783 524 HB2 LEU 61 HB2 LEU 61 8.564 -2.151 -13.656 525 HB3 LEU 61 HB3 LEU 61 9.014 -2.821 -15.210 526 HG LEU 61 HG LEU 61 7.546 -0.208 -14.839 527 HD11 LEU 61 HD11 LEU 61 9.676 0.843 -15.429 528 HD12 LEU 61 HD12 LEU 61 10.455 -0.740 -15.429 529 HD13 LEU 61 HD13 LEU 61 9.803 -0.080 -13.930 530 HD21 LEU 61 HD21 LEU 61 8.122 0.141 -17.196 531 HD22 LEU 61 HD22 LEU 61 7.098 -1.280 -16.979 532 HD23 LEU 61 HD23 LEU 61 8.829 -1.475 -17.259 533 H THR 62 H THR 62 6.135 -4.164 -12.707 534 HA THR 62 HA THR 62 7.442 -6.683 -13.505 535 HB THR 62 HB THR 62 7.654 -7.090 -11.004 536 HG1 THR 62 HG1 THR 62 7.655 -4.343 -10.568 537 HG21 THR 62 HG21 THR 62 9.574 -6.501 -12.391 538 HG22 THR 62 HG22 THR 62 9.693 -5.733 -10.809 539 HG23 THR 62 HG23 THR 62 9.194 -4.789 -12.213 540 H HIS 63 H HIS 63 4.490 -5.312 -13.131 541 HA HIS 63 HA HIS 63 3.218 -7.839 -12.443 542 HB2 HIS 63 HB2 HIS 63 2.794 -5.281 -10.893 543 HB3 HIS 63 HB3 HIS 63 1.689 -6.650 -10.823 544 HD1 HIS 63 HD1 HIS 63 5.125 -5.575 -9.744 545 HD2 HIS 63 HD2 HIS 63 2.581 -8.838 -9.353 546 HE1 HIS 63 HE1 HIS 63 6.151 -7.029 -7.970 547 HE2 HIS 63 HE2 HIS 63 4.730 -9.108 -7.948 548 H SER 64 H SER 64 0.840 -7.743 -12.760 549 HA SER 64 HA SER 64 0.294 -6.410 -15.260 550 HB2 SER 64 HB2 SER 64 -1.456 -8.250 -13.607 551 HB3 SER 64 HB3 SER 64 -1.755 -7.746 -15.272 552 HG SER 64 HG SER 64 -0.302 -9.794 -14.406 553 H TYR 65 H TYR 65 -2.130 -5.643 -15.437 554 HA TYR 65 HA TYR 65 -2.225 -3.177 -14.143 555 HB2 TYR 65 HB2 TYR 65 -3.295 -3.600 -16.311 556 HB3 TYR 65 HB3 TYR 65 -4.473 -4.647 -15.528 557 HD1 TYR 65 HD1 TYR 65 -3.217 -1.145 -15.544 558 HD2 TYR 65 HD2 TYR 65 -6.473 -3.751 -14.705 559 HE1 TYR 65 HE1 TYR 65 -4.658 0.802 -15.145 560 HE2 TYR 65 HE2 TYR 65 -7.930 -1.810 -14.308 561 HH TYR 65 HH TYR 65 -7.097 1.320 -15.228 562 H GLU 66 H GLU 66 -3.982 -6.189 -13.436 563 HA GLU 66 HA GLU 66 -5.695 -5.117 -11.492 564 HB2 GLU 66 HB2 GLU 66 -4.631 -7.895 -11.904 565 HB3 GLU 66 HB3 GLU 66 -5.687 -7.504 -10.555 566 HG2 GLU 66 HG2 GLU 66 -7.246 -6.541 -12.347 567 HG3 GLU 66 HG3 GLU 66 -6.284 -7.498 -13.478 568 H THR 67 H THR 67 -2.453 -6.473 -11.220 569 HA THR 67 HA THR 67 -2.367 -6.641 -8.428 570 HB THR 67 HB THR 67 0.168 -6.067 -9.840 571 HG1 THR 67 HG1 THR 67 -1.165 -8.514 -10.374 572 HG21 THR 67 HG21 THR 67 -0.799 -8.369 -8.139 573 HG22 THR 67 HG22 THR 67 0.081 -6.958 -7.549 574 HG23 THR 67 HG23 THR 67 0.863 -8.090 -8.654 575 H ILE 68 H ILE 68 -1.278 -4.078 -10.651 576 HA ILE 68 HA ILE 68 -0.414 -2.379 -8.519 577 HB ILE 68 HB ILE 68 0.599 -2.196 -10.735 578 HG12 ILE 68 HG12 ILE 68 -0.874 0.327 -9.957 579 HG13 ILE 68 HG13 ILE 68 0.619 -0.248 -9.223 580 HG21 ILE 68 HG21 ILE 68 -2.094 -1.195 -11.634 581 HG22 ILE 68 HG22 ILE 68 -1.291 -2.679 -12.149 582 HG23 ILE 68 HG23 ILE 68 -0.612 -1.112 -12.586 583 HD11 ILE 68 HD11 ILE 68 1.758 0.000 -11.375 584 HD12 ILE 68 HD12 ILE 68 1.066 1.519 -10.809 585 HD13 ILE 68 HD13 ILE 68 0.262 0.606 -12.086 586 H ARG 69 H ARG 69 -3.371 -2.736 -10.383 587 HA ARG 69 HA ARG 69 -4.705 -0.399 -9.575 588 HB2 ARG 69 HB2 ARG 69 -5.481 -1.875 -11.396 589 HB3 ARG 69 HB3 ARG 69 -5.866 -3.120 -10.217 590 HG2 ARG 69 HG2 ARG 69 -7.482 -1.521 -9.178 591 HG3 ARG 69 HG3 ARG 69 -7.187 -0.439 -10.541 592 HD2 ARG 69 HD2 ARG 69 -7.880 -2.273 -12.069 593 HD3 ARG 69 HD3 ARG 69 -8.299 -3.239 -10.655 594 HE ARG 69 HE ARG 69 -9.676 -0.818 -11.596 595 HH11 ARG 69 HH11 ARG 69 -9.520 -3.559 -9.408 596 HH12 ARG 69 HH12 ARG 69 -11.159 -3.389 -8.879 597 HH21 ARG 69 HH21 ARG 69 -11.840 -0.603 -10.901 598 HH22 ARG 69 HH22 ARG 69 -12.480 -1.700 -9.706 599 H LYS 70 H LYS 70 -4.771 -3.679 -8.230 600 HA LYS 70 HA LYS 70 -6.440 -3.080 -6.040 601 HB2 LYS 70 HB2 LYS 70 -4.571 -5.311 -6.739 602 HB3 LYS 70 HB3 LYS 70 -5.241 -5.226 -5.115 603 HG2 LYS 70 HG2 LYS 70 -7.346 -5.713 -5.795 604 HG3 LYS 70 HG3 LYS 70 -7.134 -4.964 -7.370 605 HD2 LYS 70 HD2 LYS 70 -5.723 -6.878 -8.053 606 HD3 LYS 70 HD3 LYS 70 -6.029 -7.631 -6.489 607 HE2 LYS 70 HE2 LYS 70 -8.471 -7.542 -7.009 608 HE3 LYS 70 HE3 LYS 70 -8.052 -6.979 -8.625 609 HZ1 LYS 70 HZ1 LYS 70 -8.400 -9.299 -8.746 610 HZ2 LYS 70 HZ2 LYS 70 -7.414 -9.603 -7.404 611 HZ3 LYS 70 HZ3 LYS 70 -6.722 -9.072 -8.857 612 H LEU 71 H LEU 71 -2.929 -3.180 -6.401 613 HA LEU 71 HA LEU 71 -2.111 -2.730 -3.802 614 HB2 LEU 71 HB2 LEU 71 -0.521 -3.175 -5.536 615 HB3 LEU 71 HB3 LEU 71 -1.003 -1.747 -6.429 616 HG LEU 71 HG LEU 71 -0.099 -0.372 -4.513 617 HD11 LEU 71 HD11 LEU 71 1.519 -1.441 -3.041 618 HD12 LEU 71 HD12 LEU 71 1.107 -3.014 -3.721 619 HD13 LEU 71 HD13 LEU 71 -0.096 -2.104 -2.809 620 HD21 LEU 71 HD21 LEU 71 1.791 -2.136 -6.056 621 HD22 LEU 71 HD22 LEU 71 2.234 -0.640 -5.234 622 HD23 LEU 71 HD23 LEU 71 1.108 -0.602 -6.591 623 H ASN 72 H ASN 72 -2.675 -0.251 -6.294 624 HA ASN 72 HA ASN 72 -2.340 1.995 -4.680 625 HB2 ASN 72 HB2 ASN 72 -2.366 2.132 -7.104 626 HB3 ASN 72 HB3 ASN 72 -4.049 1.627 -7.147 627 HD21 ASN 72 HD21 ASN 72 -4.665 3.456 -8.254 628 HD22 ASN 72 HD22 ASN 72 -4.751 5.009 -7.508 629 H SER 73 H SER 73 -5.238 0.079 -5.329 630 HA SER 73 HA SER 73 -7.103 1.803 -4.134 631 HB2 SER 73 HB2 SER 73 -7.201 -1.213 -4.377 632 HB3 SER 73 HB3 SER 73 -8.577 -0.166 -4.027 633 HG SER 73 HG SER 73 -7.060 -0.357 -6.408 634 H TYR 74 H TYR 74 -5.212 -0.878 -2.748 635 HA TYR 74 HA TYR 74 -6.376 -0.790 -0.171 636 HB2 TYR 74 HB2 TYR 74 -3.514 -1.564 -0.763 637 HB3 TYR 74 HB3 TYR 74 -4.507 -2.094 0.584 638 HD1 TYR 74 HD1 TYR 74 -7.011 -2.655 -1.205 639 HD2 TYR 74 HD2 TYR 74 -2.906 -3.749 -1.471 640 HE1 TYR 74 HE1 TYR 74 -7.629 -4.670 -2.479 641 HE2 TYR 74 HE2 TYR 74 -3.515 -5.756 -2.744 642 HH TYR 74 HH TYR 74 -6.590 -6.234 -4.070 643 H ILE 75 H ILE 75 -3.532 0.727 -1.574 644 HA ILE 75 HA ILE 75 -2.598 1.964 0.777 645 HB ILE 75 HB ILE 75 -2.088 2.611 -2.126 646 HG12 ILE 75 HG12 ILE 75 -0.443 1.130 -0.058 647 HG13 ILE 75 HG13 ILE 75 -1.360 0.377 -1.358 648 HG21 ILE 75 HG21 ILE 75 -0.170 3.908 -1.371 649 HG22 ILE 75 HG22 ILE 75 -0.625 3.623 0.309 650 HG23 ILE 75 HG23 ILE 75 -1.672 4.579 -0.738 651 HD11 ILE 75 HD11 ILE 75 0.066 1.529 -2.992 652 HD12 ILE 75 HD12 ILE 75 0.972 0.455 -1.927 653 HD13 ILE 75 HD13 ILE 75 1.011 2.200 -1.663 654 H ARG 76 H ARG 76 -4.716 3.113 -1.831 655 HA ARG 76 HA ARG 76 -4.962 5.762 -0.938 656 HB2 ARG 76 HB2 ARG 76 -6.642 3.980 -2.644 657 HB3 ARG 76 HB3 ARG 76 -7.327 5.501 -2.082 658 HG2 ARG 76 HG2 ARG 76 -5.215 6.591 -3.012 659 HG3 ARG 76 HG3 ARG 76 -4.945 5.059 -3.843 660 HD2 ARG 76 HD2 ARG 76 -6.863 5.293 -5.147 661 HD3 ARG 76 HD3 ARG 76 -7.560 6.505 -4.069 662 HE ARG 76 HE ARG 76 -5.107 7.391 -5.216 663 HH11 ARG 76 HH11 ARG 76 -8.509 6.993 -5.886 664 HH12 ARG 76 HH12 ARG 76 -8.570 8.276 -7.052 665 HH21 ARG 76 HH21 ARG 76 -5.168 9.115 -6.723 666 HH22 ARG 76 HH22 ARG 76 -6.672 9.515 -7.504 667 H ASN 77 H ASN 77 -6.951 2.906 -0.212 668 HA ASN 77 HA ASN 77 -8.765 4.198 1.487 669 HB2 ASN 77 HB2 ASN 77 -7.911 1.375 1.091 670 HB3 ASN 77 HB3 ASN 77 -8.799 1.759 2.562 671 HD21 ASN 77 HD21 ASN 77 -10.920 2.481 2.420 672 HD22 ASN 77 HD22 ASN 77 -11.865 2.272 0.980 673 H ALA 78 H ALA 78 -5.598 2.790 2.128 674 HA ALA 78 HA ALA 78 -5.667 3.008 4.934 675 HB1 ALA 78 HB1 ALA 78 -3.254 2.761 4.845 676 HB2 ALA 78 HB2 ALA 78 -3.262 3.117 3.116 677 HB3 ALA 78 HB3 ALA 78 -4.029 1.645 3.719 678 H PHE 79 H PHE 79 -4.253 5.207 2.490 679 HA PHE 79 HA PHE 79 -3.492 7.207 4.331 680 HB2 PHE 79 HB2 PHE 79 -3.935 7.168 1.371 681 HB3 PHE 79 HB3 PHE 79 -3.702 8.708 2.192 682 HD1 PHE 79 HD1 PHE 79 -1.633 8.674 3.888 683 HD2 PHE 79 HD2 PHE 79 -2.082 6.178 0.474 684 HE1 PHE 79 HE1 PHE 79 0.807 8.376 3.790 685 HE2 PHE 79 HE2 PHE 79 0.356 5.874 0.369 686 HZ PHE 79 HZ PHE 79 1.804 6.977 2.032 687 H ASP 80 H ASP 80 -6.422 6.773 2.401 688 HA ASP 80 HA ASP 80 -7.658 9.206 3.052 689 HB2 ASP 80 HB2 ASP 80 -8.478 7.874 1.219 690 HB3 ASP 80 HB3 ASP 80 -8.847 6.532 2.298 691 H ASP 81 H ASP 81 -7.529 6.140 4.758 692 HA ASP 81 HA ASP 81 -9.533 6.864 6.665 693 HB2 ASP 81 HB2 ASP 81 -8.904 4.495 6.121 694 HB3 ASP 81 HB3 ASP 81 -7.399 4.754 7.003 695 H ALA 82 H ALA 82 -6.013 7.045 6.547 696 HA ALA 82 HA ALA 82 -5.573 8.080 9.130 697 HB1 ALA 82 HB1 ALA 82 -4.085 8.720 6.576 698 HB2 ALA 82 HB2 ALA 82 -3.757 7.352 7.639 699 HB3 ALA 82 HB3 ALA 82 -3.504 9.000 8.217 700 H ILE 83 H ILE 83 -6.521 9.570 6.088 701 HA ILE 83 HA ILE 83 -6.530 12.261 6.946 702 HB ILE 83 HB ILE 83 -8.179 10.920 4.797 703 HG12 ILE 83 HG12 ILE 83 -5.614 12.512 4.585 704 HG13 ILE 83 HG13 ILE 83 -5.713 10.756 4.515 705 HG21 ILE 83 HG21 ILE 83 -7.632 13.852 5.252 706 HG22 ILE 83 HG22 ILE 83 -9.181 13.034 5.464 707 HG23 ILE 83 HG23 ILE 83 -8.465 13.162 3.858 708 HD11 ILE 83 HD11 ILE 83 -5.518 11.728 2.298 709 HD12 ILE 83 HD12 ILE 83 -6.986 12.667 2.571 710 HD13 ILE 83 HD13 ILE 83 -7.066 10.907 2.497 711 H HIS 84 H HIS 84 -8.863 9.660 7.242 712 HA HIS 84 HA HIS 84 -11.200 11.076 7.759 713 HB2 HIS 84 HB2 HIS 84 -10.273 8.421 8.860 714 HB3 HIS 84 HB3 HIS 84 -11.877 9.071 9.158 715 HD1 HIS 84 HD1 HIS 84 -11.345 6.388 7.658 716 HD2 HIS 84 HD2 HIS 84 -12.039 10.063 5.831 717 HE1 HIS 84 HE1 HIS 84 -12.257 5.851 5.379 718 HE2 HIS 84 HE2 HIS 84 -12.372 8.078 4.205 719 H GLU 85 H GLU 85 -8.791 9.893 10.104 720 HA GLU 85 HA GLU 85 -10.141 11.297 12.248 721 HB2 GLU 85 HB2 GLU 85 -9.004 9.021 12.456 722 HB3 GLU 85 HB3 GLU 85 -7.479 9.896 12.418 723 HG2 GLU 85 HG2 GLU 85 -8.191 9.380 14.699 724 HG3 GLU 85 HG3 GLU 85 -8.087 11.117 14.415 725 H GLY 86 H GLY 86 -7.410 11.741 10.150 726 HA2 GLY 86 HA2 GLY 86 -6.670 13.992 9.701 727 HA3 GLY 86 HA3 GLY 86 -6.989 14.384 11.384 728 H TYR 87 H TYR 87 -5.131 11.869 9.692 729 HA TYR 87 HA TYR 87 -2.992 12.138 11.647 730 HB2 TYR 87 HB2 TYR 87 -3.922 9.915 10.749 731 HB3 TYR 87 HB3 TYR 87 -3.042 10.279 9.272 732 HD1 TYR 87 HD1 TYR 87 -0.485 11.276 10.141 733 HD2 TYR 87 HD2 TYR 87 -2.874 8.203 11.857 734 HE1 TYR 87 HE1 TYR 87 1.531 10.271 11.116 735 HE2 TYR 87 HE2 TYR 87 -0.855 7.187 12.847 736 HH TYR 87 HH TYR 87 1.527 7.155 12.572 737 H VAL 88 H VAL 88 -3.015 11.828 8.101 738 HA VAL 88 HA VAL 88 -0.471 13.225 8.000 739 HB VAL 88 HB VAL 88 -0.433 12.558 5.621 740 HG11 VAL 88 HG11 VAL 88 -0.999 10.333 7.576 741 HG12 VAL 88 HG12 VAL 88 0.562 11.092 7.262 742 HG13 VAL 88 HG13 VAL 88 -0.221 10.133 6.006 743 HG21 VAL 88 HG21 VAL 88 -3.057 11.205 6.260 744 HG22 VAL 88 HG22 VAL 88 -2.133 10.997 4.772 745 HG23 VAL 88 HG23 VAL 88 -2.826 12.570 5.166 746 H ILE 89 H ILE 89 -0.223 14.600 5.908 747 HA ILE 89 HA ILE 89 -1.803 16.918 6.172 748 HB ILE 89 HB ILE 89 -0.011 16.113 3.870 749 HG12 ILE 89 HG12 ILE 89 0.619 17.754 6.334 750 HG13 ILE 89 HG13 ILE 89 1.132 16.092 6.062 751 HG21 ILE 89 HG21 ILE 89 -1.007 18.832 4.710 752 HG22 ILE 89 HG22 ILE 89 -1.494 17.941 3.267 753 HG23 ILE 89 HG23 ILE 89 0.164 18.517 3.430 754 HD11 ILE 89 HD11 ILE 89 1.920 18.460 4.384 755 HD12 ILE 89 HD12 ILE 89 2.467 16.798 4.168 756 HD13 ILE 89 HD13 ILE 89 2.917 17.692 5.619 757 H LYS 90 H LYS 90 -1.547 14.638 3.447 758 HA LYS 90 HA LYS 90 -4.370 14.461 3.140 759 HB2 LYS 90 HB2 LYS 90 -3.010 16.510 1.632 760 HB3 LYS 90 HB3 LYS 90 -3.661 15.290 0.541 761 HG2 LYS 90 HG2 LYS 90 -5.191 16.858 2.610 762 HG3 LYS 90 HG3 LYS 90 -5.282 17.040 0.855 763 HD2 LYS 90 HD2 LYS 90 -6.234 14.855 0.616 764 HD3 LYS 90 HD3 LYS 90 -5.972 14.499 2.323 765 HE2 LYS 90 HE2 LYS 90 -8.291 15.024 1.990 766 HE3 LYS 90 HE3 LYS 90 -7.538 16.334 2.896 767 HZ1 LYS 90 HZ1 LYS 90 -9.032 17.114 1.130 768 HZ2 LYS 90 HZ2 LYS 90 -8.041 16.376 -0.034 769 HZ3 LYS 90 HZ3 LYS 90 -7.438 17.655 0.909 770 H ASN 91 H ASN 91 -4.476 13.576 0.510 771 HA ASN 91 HA ASN 91 -3.220 10.983 0.912 772 HB2 ASN 91 HB2 ASN 91 -5.713 11.430 0.320 773 HB3 ASN 91 HB3 ASN 91 -5.120 11.686 -1.317 774 HD21 ASN 91 HD21 ASN 91 -6.899 9.639 -0.240 775 HD22 ASN 91 HD22 ASN 91 -6.161 8.120 -0.620 776 HA PRO 92 HA PRO 92 -0.047 12.289 -2.000 777 HB2 PRO 92 HB2 PRO 92 1.143 9.677 -1.475 778 HB3 PRO 92 HB3 PRO 92 1.760 11.285 -1.088 779 HG2 PRO 92 HG2 PRO 92 0.898 9.571 0.815 780 HG3 PRO 92 HG3 PRO 92 0.737 11.329 0.972 781 HD2 PRO 92 HD2 PRO 92 -1.317 9.302 0.163 782 HD3 PRO 92 HD3 PRO 92 -1.480 10.694 1.256 783 H THR 93 H THR 93 -2.432 10.120 -2.508 784 HA THR 93 HA THR 93 -1.226 8.861 -4.840 785 HB THR 93 HB THR 93 -3.388 7.680 -5.070 786 HG1 THR 93 HG1 THR 93 -4.186 8.664 -2.556 787 HG21 THR 93 HG21 THR 93 -1.605 6.697 -3.714 788 HG22 THR 93 HG22 THR 93 -3.188 6.318 -3.036 789 HG23 THR 93 HG23 THR 93 -2.190 7.567 -2.298 790 H TYR 94 H TYR 94 -2.078 11.816 -4.399 791 HA TYR 94 HA TYR 94 -3.955 12.540 -6.336 792 HB2 TYR 94 HB2 TYR 94 -3.102 14.190 -4.792 793 HB3 TYR 94 HB3 TYR 94 -1.456 13.941 -5.356 794 HD1 TYR 94 HD1 TYR 94 -0.752 14.823 -7.563 795 HD2 TYR 94 HD2 TYR 94 -4.606 15.654 -5.955 796 HE1 TYR 94 HE1 TYR 94 -1.010 16.672 -9.156 797 HE2 TYR 94 HE2 TYR 94 -4.878 17.502 -7.556 798 HH TYR 94 HH TYR 94 -3.349 19.035 -8.877 799 H LYS 95 H LYS 95 -0.431 12.202 -6.613 800 HA LYS 95 HA LYS 95 -0.723 12.143 -9.525 801 HB2 LYS 95 HB2 LYS 95 0.886 13.783 -8.511 802 HB3 LYS 95 HB3 LYS 95 1.825 12.423 -7.916 803 HG2 LYS 95 HG2 LYS 95 2.640 13.510 -10.041 804 HG3 LYS 95 HG3 LYS 95 2.439 11.758 -10.094 805 HD2 LYS 95 HD2 LYS 95 1.562 12.786 -12.124 806 HD3 LYS 95 HD3 LYS 95 0.256 12.060 -11.187 807 HE2 LYS 95 HE2 LYS 95 -0.235 14.305 -10.245 808 HE3 LYS 95 HE3 LYS 95 0.983 14.982 -11.325 809 HZ1 LYS 95 HZ1 LYS 95 -1.305 15.165 -12.182 810 HZ2 LYS 95 HZ2 LYS 95 -1.414 13.475 -12.232 811 HZ3 LYS 95 HZ3 LYS 95 -0.292 14.282 -13.216 812 H ALA 96 H ALA 96 -1.566 10.052 -9.539 813 HA ALA 96 HA ALA 96 0.419 7.944 -9.391 814 HB1 ALA 96 HB1 ALA 96 -0.425 7.999 -7.113 815 HB2 ALA 96 HB2 ALA 96 -0.965 6.533 -7.930 816 HB3 ALA 96 HB3 ALA 96 -2.084 7.878 -7.704 817 H GLU 97 H GLU 97 0.191 7.057 -11.351 818 HA GLU 97 HA GLU 97 -2.543 6.410 -12.223 819 HB2 GLU 97 HB2 GLU 97 -1.808 6.504 -14.529 820 HB3 GLU 97 HB3 GLU 97 -1.455 8.028 -13.730 821 HG2 GLU 97 HG2 GLU 97 0.869 7.490 -13.582 822 HG3 GLU 97 HG3 GLU 97 0.576 5.847 -14.157 823 H LEU 98 H LEU 98 -2.854 4.398 -13.269 824 HA LEU 98 HA LEU 98 -1.101 2.327 -12.223 825 HB2 LEU 98 HB2 LEU 98 -3.704 2.079 -13.732 826 HB3 LEU 98 HB3 LEU 98 -2.866 0.788 -12.890 827 HG LEU 98 HG LEU 98 -4.019 3.232 -11.544 828 HD11 LEU 98 HD11 LEU 98 -5.777 1.829 -12.496 829 HD12 LEU 98 HD12 LEU 98 -5.768 1.744 -10.733 830 HD13 LEU 98 HD13 LEU 98 -5.093 0.420 -11.682 831 HD21 LEU 98 HD21 LEU 98 -3.637 1.986 -9.488 832 HD22 LEU 98 HD22 LEU 98 -2.125 2.243 -10.363 833 HD23 LEU 98 HD23 LEU 98 -2.917 0.667 -10.411 834 H HIS 99 H HIS 99 0.619 3.063 -13.705 835 HA HIS 99 HA HIS 99 0.180 2.677 -16.543 836 HB2 HIS 99 HB2 HIS 99 1.561 4.554 -15.403 837 HB3 HIS 99 HB3 HIS 99 2.826 3.339 -15.280 838 HD1 HIS 99 HD1 HIS 99 1.227 5.683 -17.618 839 HD2 HIS 99 HD2 HIS 99 3.856 2.461 -17.825 840 HE1 HIS 99 HE1 HIS 99 2.256 5.787 -19.917 841 HE2 HIS 99 HE2 HIS 99 3.935 3.901 -19.976 842 H ALA 100 H ALA 100 -0.271 0.306 -15.884 843 HA ALA 100 HA ALA 100 1.907 -1.435 -15.425 844 HB1 ALA 100 HB1 ALA 100 -0.420 -2.112 -15.044 845 HB2 ALA 100 HB2 ALA 100 0.403 -3.216 -16.145 846 HB3 ALA 100 HB3 ALA 100 -0.728 -2.021 -16.779 847 H SER 101 H SER 101 3.619 -1.388 -16.735 848 HA SER 101 HA SER 101 3.264 -0.772 -19.561 849 HB2 SER 101 HB2 SER 101 5.866 -1.208 -18.091 850 HB3 SER 101 HB3 SER 101 5.600 -0.301 -19.582 851 HG SER 101 HG SER 101 4.143 0.531 -17.372 852 H VAL 102 H VAL 102 2.838 -3.446 -18.001 853 HA VAL 102 HA VAL 102 4.535 -5.199 -19.613 854 HB VAL 102 HB VAL 102 2.576 -5.982 -17.449 855 HG11 VAL 102 HG11 VAL 102 3.245 -7.799 -18.937 856 HG12 VAL 102 HG12 VAL 102 3.898 -8.026 -17.314 857 HG13 VAL 102 HG13 VAL 102 4.942 -7.444 -18.611 858 HG21 VAL 102 HG21 VAL 102 4.503 -6.086 -15.936 859 HG22 VAL 102 HG22 VAL 102 4.186 -4.447 -16.506 860 HG23 VAL 102 HG23 VAL 102 5.515 -5.380 -17.197 861 H LEU 103 H LEU 103 1.444 -3.822 -19.638 862 HA LEU 103 HA LEU 103 0.454 -5.932 -21.429 863 HB2 LEU 103 HB2 LEU 103 -1.140 -4.224 -19.520 864 HB3 LEU 103 HB3 LEU 103 -1.854 -5.243 -20.753 865 HG LEU 103 HG LEU 103 -0.596 -7.177 -19.586 866 HD11 LEU 103 HD11 LEU 103 -0.256 -6.845 -17.180 867 HD12 LEU 103 HD12 LEU 103 -0.585 -5.123 -17.380 868 HD13 LEU 103 HD13 LEU 103 0.828 -5.848 -18.149 869 HD21 LEU 103 HD21 LEU 103 -3.009 -6.940 -19.608 870 HD22 LEU 103 HD22 LEU 103 -2.929 -5.800 -18.264 871 HD23 LEU 103 HD23 LEU 103 -2.455 -7.482 -18.023 872 H GLU 104 H GLU 104 1.147 -4.984 -23.299 873 HA GLU 104 HA GLU 104 -0.554 -2.814 -24.245 874 HB2 GLU 104 HB2 GLU 104 2.452 -2.687 -24.186 875 HB3 GLU 104 HB3 GLU 104 1.552 -1.868 -25.452 876 HG2 GLU 104 HG2 GLU 104 1.259 -1.390 -22.492 877 HG3 GLU 104 HG3 GLU 104 2.129 -0.360 -23.629 878 H HIS 105 H HIS 105 -1.597 -4.266 -25.567 879 HA HIS 105 HA HIS 105 0.060 -5.391 -27.734 880 HB2 HIS 105 HB2 HIS 105 -1.058 -7.083 -26.224 881 HB3 HIS 105 HB3 HIS 105 -2.604 -6.477 -26.809 882 HD1 HIS 105 HD1 HIS 105 0.266 -8.635 -27.744 883 HD2 HIS 105 HD2 HIS 105 -3.195 -7.147 -29.500 884 HE1 HIS 105 HE1 HIS 105 -0.071 -9.991 -29.836 885 HE2 HIS 105 HE2 HIS 105 -2.278 -9.209 -30.768 886 H HIS 106 H HIS 106 -3.044 -3.941 -26.862 887 HA HIS 106 HA HIS 106 -2.881 -2.344 -29.251 888 HB2 HIS 106 HB2 HIS 106 -5.108 -2.838 -30.108 889 HB3 HIS 106 HB3 HIS 106 -4.124 -4.289 -30.108 890 HD1 HIS 106 HD1 HIS 106 -5.356 -6.288 -29.362 891 HD2 HIS 106 HD2 HIS 106 -6.888 -2.823 -27.646 892 HE1 HIS 106 HE1 HIS 106 -7.337 -7.020 -28.004 893 HE2 HIS 106 HE2 HIS 106 -8.116 -4.942 -26.816 894 H HIS 107 H HIS 107 -3.584 -0.340 -28.870 895 HA HIS 107 HA HIS 107 -5.394 0.055 -26.590 896 HB2 HIS 107 HB2 HIS 107 -4.093 2.216 -26.128 897 HB3 HIS 107 HB3 HIS 107 -3.356 0.704 -25.623 898 HD1 HIS 107 HD1 HIS 107 -0.972 0.479 -26.205 899 HD2 HIS 107 HD2 HIS 107 -2.951 3.111 -28.759 900 HE1 HIS 107 HE1 HIS 107 0.797 1.418 -27.730 901 HE2 HIS 107 HE2 HIS 107 -0.442 2.890 -29.360 902 H HIS 108 H HIS 108 -7.112 1.216 -27.058 903 HA HIS 108 HA HIS 108 -7.042 2.881 -29.476 904 HB2 HIS 108 HB2 HIS 108 -9.491 2.247 -29.768 905 HB3 HIS 108 HB3 HIS 108 -8.312 0.997 -30.136 906 HD1 HIS 108 HD1 HIS 108 -10.676 1.990 -27.309 907 HD2 HIS 108 HD2 HIS 108 -8.723 -1.354 -28.839 908 HE1 HIS 108 HE1 HIS 108 -11.566 0.030 -26.014 909 HE2 HIS 108 HE2 HIS 108 -10.469 -1.998 -27.041 910 H HIS 109 H HIS 109 -8.261 4.753 -29.472 911 HA HIS 109 HA HIS 109 -9.434 5.539 -26.893 912 HB2 HIS 109 HB2 HIS 109 -7.214 6.557 -27.072 913 HB3 HIS 109 HB3 HIS 109 -7.617 7.209 -28.655 914 HD1 HIS 109 HD1 HIS 109 -8.346 7.681 -24.994 915 HD2 HIS 109 HD2 HIS 109 -9.034 9.584 -28.627 916 HE1 HIS 109 HE1 HIS 109 -9.268 9.947 -24.409 917 HE2 HIS 109 HE2 HIS 109 -9.879 10.986 -26.626 918 H HIS 110 H HIS 110 -11.410 6.412 -27.049 919 HA HIS 110 HA HIS 110 -12.552 6.809 -29.699 920 HB2 HIS 110 HB2 HIS 110 -13.774 6.842 -26.933 921 HB3 HIS 110 HB3 HIS 110 -14.686 7.170 -28.402 922 HD1 HIS 110 HD1 HIS 110 -13.453 4.438 -26.282 923 HD2 HIS 110 HD2 HIS 110 -14.892 4.867 -30.163 924 HE1 HIS 110 HE1 HIS 110 -14.050 2.122 -27.044 925 HE2 HIS 110 HE2 HIS 110 -15.066 2.419 -29.327 Start of MODEL 9 1 H1 MET 1 H1 MET 1 3.009 8.857 15.652 2 H2 MET 1 H2 MET 1 3.273 10.491 15.289 3 H3 MET 1 H3 MET 1 4.586 9.476 15.630 4 HA MET 1 HA MET 1 2.783 9.273 13.292 5 HB2 MET 1 HB2 MET 1 4.737 9.902 11.966 6 HB3 MET 1 HB3 MET 1 4.366 11.152 13.143 7 HG2 MET 1 HG2 MET 1 6.499 9.063 13.519 8 HG3 MET 1 HG3 MET 1 6.788 10.668 12.857 9 HE1 MET 1 HE1 MET 1 5.876 12.962 15.920 10 HE2 MET 1 HE2 MET 1 4.803 12.451 14.615 11 HE3 MET 1 HE3 MET 1 6.462 12.931 14.256 12 H ILE 2 H ILE 2 3.438 7.648 11.748 13 HA ILE 2 HA ILE 2 5.093 5.497 12.860 14 HB ILE 2 HB ILE 2 2.693 5.003 13.337 15 HG12 ILE 2 HG12 ILE 2 3.934 3.155 11.283 16 HG13 ILE 2 HG13 ILE 2 4.318 3.164 13.001 17 HG21 ILE 2 HG21 ILE 2 1.695 6.129 11.439 18 HG22 ILE 2 HG22 ILE 2 1.200 4.436 11.476 19 HG23 ILE 2 HG23 ILE 2 2.436 4.969 10.336 20 HD11 ILE 2 HD11 ILE 2 2.793 1.357 12.440 21 HD12 ILE 2 HD12 ILE 2 1.633 2.522 11.802 22 HD13 ILE 2 HD13 ILE 2 2.025 2.520 13.521 23 H THR 3 H THR 3 5.912 4.021 11.229 24 HA THR 3 HA THR 3 6.500 5.312 8.742 25 HB THR 3 HB THR 3 7.716 3.219 8.191 26 HG1 THR 3 HG1 THR 3 7.327 2.225 10.780 27 HG21 THR 3 HG21 THR 3 8.840 4.993 9.446 28 HG22 THR 3 HG22 THR 3 9.406 3.402 9.956 29 HG23 THR 3 HG23 THR 3 8.262 4.295 10.961 30 H PHE 4 H PHE 4 5.872 4.644 6.661 31 HA PHE 4 HA PHE 4 3.155 3.951 6.459 32 HB2 PHE 4 HB2 PHE 4 4.217 5.321 4.765 33 HB3 PHE 4 HB3 PHE 4 5.304 4.004 4.330 34 HD1 PHE 4 HD1 PHE 4 1.615 4.127 4.902 35 HD2 PHE 4 HD2 PHE 4 4.798 3.302 2.197 36 HE1 PHE 4 HE1 PHE 4 -0.010 3.334 3.232 37 HE2 PHE 4 HE2 PHE 4 3.177 2.507 0.529 38 HZ PHE 4 HZ PHE 4 0.770 2.522 1.047 39 H ALA 5 H ALA 5 6.083 2.022 6.143 40 HA ALA 5 HA ALA 5 4.968 -0.281 5.012 41 HB1 ALA 5 HB1 ALA 5 7.368 0.059 5.174 42 HB2 ALA 5 HB2 ALA 5 6.910 -1.460 5.946 43 HB3 ALA 5 HB3 ALA 5 7.282 -0.046 6.933 44 H ASP 6 H ASP 6 5.643 0.378 8.454 45 HA ASP 6 HA ASP 6 4.368 -1.972 9.380 46 HB2 ASP 6 HB2 ASP 6 6.098 -0.737 10.658 47 HB3 ASP 6 HB3 ASP 6 4.954 0.578 10.905 48 H TYR 7 H TYR 7 3.287 1.323 8.870 49 HA TYR 7 HA TYR 7 0.796 1.205 10.141 50 HB2 TYR 7 HB2 TYR 7 1.756 3.304 9.362 51 HB3 TYR 7 HB3 TYR 7 1.648 2.765 7.692 52 HD1 TYR 7 HD2 TYR 7 -0.396 3.657 10.657 53 HD2 TYR 7 HD1 TYR 7 -0.311 3.136 6.436 54 HE1 TYR 7 HE2 TYR 7 -2.634 4.660 10.494 55 HE2 TYR 7 HE1 TYR 7 -2.551 4.135 6.261 56 HH TYR 7 HH TYR 7 -4.491 4.559 7.598 57 H PHE 8 H PHE 8 1.713 0.441 6.802 58 HA PHE 8 HA PHE 8 -0.864 -0.054 5.830 59 HB2 PHE 8 HB2 PHE 8 1.109 0.274 4.387 60 HB3 PHE 8 HB3 PHE 8 1.753 -1.274 4.921 61 HD1 PHE 8 HD2 PHE 8 -1.038 0.306 3.071 62 HD2 PHE 8 HD1 PHE 8 1.095 -3.284 3.902 63 HE1 PHE 8 HE2 PHE 8 -2.241 -0.828 1.247 64 HE2 PHE 8 HE1 PHE 8 -0.108 -4.424 2.082 65 HZ PHE 8 HZ PHE 8 -1.778 -3.194 0.752 66 H TYR 9 H TYR 9 1.560 -2.326 7.132 67 HA TYR 9 HA TYR 9 -0.054 -4.623 6.762 68 HB2 TYR 9 HB2 TYR 9 2.420 -4.685 7.106 69 HB3 TYR 9 HB3 TYR 9 2.156 -4.271 8.798 70 HD1 TYR 9 HD2 TYR 9 1.709 -6.866 6.232 71 HD2 TYR 9 HD1 TYR 9 1.358 -5.916 10.365 72 HE1 TYR 9 HE2 TYR 9 1.393 -9.250 6.747 73 HE2 TYR 9 HE1 TYR 9 1.037 -8.294 10.891 74 HH TYR 9 HH TYR 9 1.601 -10.786 8.598 75 H GLN 10 H GLN 10 0.418 -2.443 9.497 76 HA GLN 10 HA GLN 10 -1.122 -3.863 11.370 77 HB2 GLN 10 HB2 GLN 10 0.410 -2.007 11.937 78 HB3 GLN 10 HB3 GLN 10 -0.691 -0.879 11.161 79 HG2 GLN 10 HG2 GLN 10 -2.395 -1.360 12.808 80 HG3 GLN 10 HG3 GLN 10 -1.355 -2.575 13.554 81 HE21 GLN 10 HE21 GLN 10 -1.891 0.828 13.066 82 HE22 GLN 10 HE22 GLN 10 -0.800 1.375 14.294 83 H TRP 11 H TRP 11 -1.981 -1.226 9.154 84 HA TRP 11 HA TRP 11 -4.690 -0.995 9.749 85 HB2 TRP 11 HB2 TRP 11 -3.624 0.622 8.323 86 HB3 TRP 11 HB3 TRP 11 -3.180 -0.615 7.157 87 HD1 TRP 11 HD1 TRP 11 -6.318 1.238 8.446 88 HE1 TRP 11 HE1 TRP 11 -8.085 1.219 6.565 89 HE3 TRP 11 HE3 TRP 11 -3.866 -1.713 5.067 90 HZ2 TRP 11 HZ2 TRP 11 -8.385 0.098 3.991 91 HZ3 TRP 11 HZ3 TRP 11 -4.959 -2.206 2.918 92 HH2 TRP 11 HH2 TRP 11 -7.172 -1.319 2.394 93 H TYR 12 H TYR 12 -3.088 -3.062 7.343 94 HA TYR 12 HA TYR 12 -5.412 -4.263 6.344 95 HB2 TYR 12 HB2 TYR 12 -3.528 -4.513 4.998 96 HB3 TYR 12 HB3 TYR 12 -2.511 -5.026 6.340 97 HD1 TYR 12 HD1 TYR 12 -5.573 -6.182 4.502 98 HD2 TYR 12 HD2 TYR 12 -1.942 -7.243 6.455 99 HE1 TYR 12 HE1 TYR 12 -5.948 -8.532 3.918 100 HE2 TYR 12 HE2 TYR 12 -2.308 -9.597 5.864 101 HH TYR 12 HH TYR 12 -4.746 -10.568 3.649 102 H GLU 13 H GLU 13 -3.207 -5.356 8.919 103 HA GLU 13 HA GLU 13 -4.334 -7.897 9.249 104 HB2 GLU 13 HB2 GLU 13 -2.138 -7.269 10.137 105 HB3 GLU 13 HB3 GLU 13 -2.908 -6.193 11.294 106 HG2 GLU 13 HG2 GLU 13 -3.998 -8.088 12.354 107 HG3 GLU 13 HG3 GLU 13 -3.266 -9.178 11.181 108 H VAL 14 H VAL 14 -5.258 -4.796 10.637 109 HA VAL 14 HA VAL 14 -7.142 -6.063 12.452 110 HB VAL 14 HB VAL 14 -6.710 -3.117 11.911 111 HG11 VAL 14 HG11 VAL 14 -8.865 -3.558 12.937 112 HG12 VAL 14 HG12 VAL 14 -7.780 -2.803 14.104 113 HG13 VAL 14 HG13 VAL 14 -8.095 -4.536 14.185 114 HG21 VAL 14 HG21 VAL 14 -4.660 -4.142 12.710 115 HG22 VAL 14 HG22 VAL 14 -5.532 -4.894 14.047 116 HG23 VAL 14 HG23 VAL 14 -5.370 -3.140 13.976 117 H ASN 15 H ASN 15 -7.174 -4.768 9.257 118 HA ASN 15 HA ASN 15 -10.031 -4.097 9.480 119 HB2 ASN 15 HB2 ASN 15 -7.825 -2.716 8.335 120 HB3 ASN 15 HB3 ASN 15 -8.944 -3.121 7.037 121 HD21 ASN 15 HD21 ASN 15 -8.237 -0.551 8.324 122 HD22 ASN 15 HD22 ASN 15 -9.741 0.132 8.837 123 H LYS 16 H LYS 16 -7.763 -5.975 7.509 124 HA LYS 16 HA LYS 16 -10.083 -6.872 5.915 125 HB2 LYS 16 HB2 LYS 16 -7.262 -6.548 4.894 126 HB3 LYS 16 HB3 LYS 16 -8.683 -6.978 3.951 127 HG2 LYS 16 HG2 LYS 16 -8.201 -4.341 5.323 128 HG3 LYS 16 HG3 LYS 16 -8.044 -4.664 3.595 129 HD2 LYS 16 HD2 LYS 16 -10.410 -5.161 3.441 130 HD3 LYS 16 HD3 LYS 16 -10.592 -4.966 5.186 131 HE2 LYS 16 HE2 LYS 16 -9.930 -2.614 4.983 132 HE3 LYS 16 HE3 LYS 16 -9.763 -2.816 3.239 133 HZ1 LYS 16 HZ1 LYS 16 -11.893 -1.810 3.901 134 HZ2 LYS 16 HZ2 LYS 16 -12.292 -3.229 4.743 135 HZ3 LYS 16 HZ3 LYS 16 -12.096 -3.271 3.059 136 H LEU 17 H LEU 17 -7.492 -7.832 7.878 137 HA LEU 17 HA LEU 17 -6.435 -10.053 6.670 138 HB2 LEU 17 HB2 LEU 17 -5.645 -8.998 8.774 139 HB3 LEU 17 HB3 LEU 17 -6.949 -9.807 9.623 140 HG LEU 17 HG LEU 17 -5.985 -11.995 8.829 141 HD11 LEU 17 HD11 LEU 17 -4.681 -11.168 6.968 142 HD12 LEU 17 HD12 LEU 17 -3.629 -11.966 8.136 143 HD13 LEU 17 HD13 LEU 17 -3.690 -10.204 8.061 144 HD21 LEU 17 HD21 LEU 17 -4.263 -10.243 10.569 145 HD22 LEU 17 HD22 LEU 17 -4.195 -12.005 10.495 146 HD23 LEU 17 HD23 LEU 17 -5.648 -11.201 11.094 147 HA PRO 18 HA PRO 18 -9.544 -13.093 8.500 148 HB2 PRO 18 HB2 PRO 18 -11.645 -11.976 10.036 149 HB3 PRO 18 HB3 PRO 18 -10.222 -12.827 10.638 150 HG2 PRO 18 HG2 PRO 18 -10.814 -10.114 11.001 151 HG3 PRO 18 HG3 PRO 18 -9.260 -10.899 11.317 152 HD2 PRO 18 HD2 PRO 18 -10.121 -9.262 8.990 153 HD3 PRO 18 HD3 PRO 18 -8.509 -9.445 9.714 154 H HIS 19 H HIS 19 -10.304 -10.585 6.619 155 HA HIS 19 HA HIS 19 -13.055 -11.484 6.077 156 HB2 HIS 19 HB2 HIS 19 -11.771 -8.852 5.330 157 HB3 HIS 19 HB3 HIS 19 -13.458 -9.296 5.089 158 HD2 HIS 19 HD2 HIS 19 -11.113 -7.912 7.792 159 HE1 HIS 19 HE1 HIS 19 -14.936 -8.421 9.519 160 HE2 HIS 19 HE2 HIS 19 -12.687 -7.284 9.762 161 H VAL 20 H VAL 20 -9.910 -10.921 4.701 162 HA VAL 20 HA VAL 20 -10.892 -11.433 2.008 163 HB VAL 20 HB VAL 20 -8.635 -10.884 1.256 164 HG11 VAL 20 HG11 VAL 20 -8.601 -8.524 1.957 165 HG12 VAL 20 HG12 VAL 20 -9.764 -8.900 3.229 166 HG13 VAL 20 HG13 VAL 20 -10.222 -9.077 1.534 167 HG21 VAL 20 HG21 VAL 20 -6.931 -10.098 2.839 168 HG22 VAL 20 HG22 VAL 20 -7.354 -11.787 3.123 169 HG23 VAL 20 HG23 VAL 20 -7.988 -10.530 4.185 170 H SER 21 H SER 21 -9.859 -13.013 0.643 171 HA SER 21 HA SER 21 -9.439 -15.536 1.943 172 HB2 SER 21 HB2 SER 21 -9.126 -16.326 -0.427 173 HB3 SER 21 HB3 SER 21 -10.647 -15.472 -0.151 174 HG SER 21 HG SER 21 -8.894 -14.913 -1.980 175 H GLU 22 H GLU 22 -7.508 -16.907 1.342 176 HA GLU 22 HA GLU 22 -5.106 -15.672 2.082 177 HB2 GLU 22 HB2 GLU 22 -5.598 -18.305 0.692 178 HB3 GLU 22 HB3 GLU 22 -4.025 -17.801 1.297 179 HG2 GLU 22 HG2 GLU 22 -4.915 -17.684 3.553 180 HG3 GLU 22 HG3 GLU 22 -6.508 -18.150 2.958 181 H SER 23 H SER 23 -6.469 -16.354 -1.083 182 HA SER 23 HA SER 23 -4.267 -15.652 -2.659 183 HB2 SER 23 HB2 SER 23 -6.081 -15.085 -4.373 184 HB3 SER 23 HB3 SER 23 -6.103 -16.724 -3.720 185 HG SER 23 HG SER 23 -8.098 -15.088 -3.763 186 H THR 24 H THR 24 -6.816 -13.691 -1.200 187 HA THR 24 HA THR 24 -5.906 -11.221 -2.319 188 HB THR 24 HB THR 24 -7.685 -11.623 0.100 189 HG1 THR 24 HG1 THR 24 -8.749 -12.610 -1.569 190 HG21 THR 24 HG21 THR 24 -7.353 -9.284 -1.788 191 HG22 THR 24 HG22 THR 24 -6.814 -9.347 -0.107 192 HG23 THR 24 HG23 THR 24 -8.537 -9.388 -0.485 193 H LYS 25 H LYS 25 -5.375 -13.000 0.672 194 HA LYS 25 HA LYS 25 -3.984 -11.103 2.153 195 HB2 LYS 25 HB2 LYS 25 -3.645 -14.097 1.966 196 HB3 LYS 25 HB3 LYS 25 -2.721 -13.113 3.093 197 HG2 LYS 25 HG2 LYS 25 -4.859 -12.314 4.066 198 HG3 LYS 25 HG3 LYS 25 -5.713 -13.439 3.014 199 HD2 LYS 25 HD2 LYS 25 -5.388 -14.303 5.308 200 HD3 LYS 25 HD3 LYS 25 -4.650 -15.319 4.072 201 HE2 LYS 25 HE2 LYS 25 -3.338 -14.785 6.250 202 HE3 LYS 25 HE3 LYS 25 -2.498 -14.745 4.701 203 HZ1 LYS 25 HZ1 LYS 25 -3.672 -12.270 5.775 204 HZ2 LYS 25 HZ2 LYS 25 -2.331 -12.480 4.750 205 HZ3 LYS 25 HZ3 LYS 25 -2.198 -12.835 6.398 206 H ARG 26 H ARG 26 -2.827 -13.332 -0.318 207 HA ARG 26 HA ARG 26 -0.131 -12.756 -0.285 208 HB2 ARG 26 HB2 ARG 26 -1.026 -14.548 -1.632 209 HB3 ARG 26 HB3 ARG 26 -1.931 -13.410 -2.621 210 HG2 ARG 26 HG2 ARG 26 0.198 -12.454 -3.416 211 HG3 ARG 26 HG3 ARG 26 1.066 -13.670 -2.476 212 HD2 ARG 26 HD2 ARG 26 0.879 -14.330 -4.811 213 HD3 ARG 26 HD3 ARG 26 -0.005 -15.440 -3.766 214 HE ARG 26 HE ARG 26 -1.895 -13.658 -4.550 215 HH11 ARG 26 HH11 ARG 26 0.429 -15.634 -6.258 216 HH12 ARG 26 HH12 ARG 26 -0.579 -15.843 -7.662 217 HH21 ARG 26 HH21 ARG 26 -3.231 -13.917 -6.399 218 HH22 ARG 26 HH22 ARG 26 -2.672 -14.875 -7.738 219 H HIS 27 H HIS 27 -2.724 -11.042 -2.008 220 HA HIS 27 HA HIS 27 -1.104 -9.285 -3.463 221 HB2 HIS 27 HB2 HIS 27 -3.913 -8.888 -2.413 222 HB3 HIS 27 HB3 HIS 27 -3.122 -7.798 -3.543 223 HD2 HIS 27 HD2 HIS 27 -5.373 -10.773 -3.589 224 HE1 HIS 27 HE1 HIS 27 -3.499 -10.646 -7.382 225 HE2 HIS 27 HE2 HIS 27 -5.515 -11.481 -6.085 226 H TYR 28 H TYR 28 -2.713 -8.785 -0.335 227 HA TYR 28 HA TYR 28 -1.714 -6.201 0.126 228 HB2 TYR 28 HB2 TYR 28 -2.823 -8.345 1.905 229 HB3 TYR 28 HB3 TYR 28 -2.128 -6.891 2.608 230 HD1 TYR 28 HD1 TYR 28 -4.915 -8.248 0.639 231 HD2 TYR 28 HD2 TYR 28 -3.227 -4.754 2.385 232 HE1 TYR 28 HE1 TYR 28 -7.060 -7.073 0.357 233 HE2 TYR 28 HE2 TYR 28 -5.362 -3.573 2.106 234 HH TYR 28 HH TYR 28 -8.267 -5.177 1.266 235 H GLU 29 H GLU 29 -0.514 -9.370 1.209 236 HA GLU 29 HA GLU 29 1.566 -8.255 2.776 237 HB2 GLU 29 HB2 GLU 29 1.175 -11.066 1.745 238 HB3 GLU 29 HB3 GLU 29 2.388 -10.594 2.932 239 HG2 GLU 29 HG2 GLU 29 0.627 -9.843 4.447 240 HG3 GLU 29 HG3 GLU 29 -0.591 -10.293 3.255 241 H SER 30 H SER 30 1.508 -9.564 -0.524 242 HA SER 30 HA SER 30 4.287 -9.341 -0.982 243 HB2 SER 30 HB2 SER 30 2.031 -9.132 -2.994 244 HB3 SER 30 HB3 SER 30 3.723 -9.454 -3.367 245 HG SER 30 HG SER 30 1.869 -11.096 -2.004 246 H ALA 31 H ALA 31 1.591 -7.087 -1.436 247 HA ALA 31 HA ALA 31 3.050 -4.948 -2.535 248 HB1 ALA 31 HB1 ALA 31 0.609 -4.885 -0.752 249 HB2 ALA 31 HB2 ALA 31 0.610 -4.991 -2.513 250 HB3 ALA 31 HB3 ALA 31 1.206 -3.535 -1.718 251 H TYR 32 H TYR 32 2.272 -5.809 0.802 252 HA TYR 32 HA TYR 32 3.570 -3.745 2.137 253 HB2 TYR 32 HB2 TYR 32 2.127 -5.179 3.364 254 HB3 TYR 32 HB3 TYR 32 3.026 -6.614 2.887 255 HD1 TYR 32 HD2 TYR 32 3.544 -3.409 4.752 256 HD2 TYR 32 HD1 TYR 32 4.478 -7.546 4.410 257 HE1 TYR 32 HE2 TYR 32 4.860 -3.281 6.826 258 HE2 TYR 32 HE1 TYR 32 5.790 -7.428 6.483 259 HH TYR 32 HH TYR 32 5.605 -4.855 8.634 260 H LYS 33 H LYS 33 4.878 -6.723 0.774 261 HA LYS 33 HA LYS 33 7.444 -6.531 1.937 262 HB2 LYS 33 HB2 LYS 33 6.146 -8.166 -0.066 263 HB3 LYS 33 HB3 LYS 33 7.772 -7.737 -0.581 264 HG2 LYS 33 HG2 LYS 33 8.051 -9.733 0.566 265 HG3 LYS 33 HG3 LYS 33 8.509 -8.497 1.737 266 HD2 LYS 33 HD2 LYS 33 7.165 -9.999 2.938 267 HD3 LYS 33 HD3 LYS 33 6.105 -8.636 2.575 268 HE2 LYS 33 HE2 LYS 33 4.965 -10.758 2.217 269 HE3 LYS 33 HE3 LYS 33 5.145 -9.872 0.704 270 HZ1 LYS 33 HZ1 LYS 33 5.643 -12.337 0.668 271 HZ2 LYS 33 HZ2 LYS 33 7.065 -11.973 1.523 272 HZ3 LYS 33 HZ3 LYS 33 6.814 -11.319 -0.024 273 H HIS 34 H HIS 34 6.168 -5.322 -1.160 274 HA HIS 34 HA HIS 34 8.583 -4.119 -2.015 275 HB2 HIS 34 HB2 HIS 34 5.696 -3.523 -2.676 276 HB3 HIS 34 HB3 HIS 34 7.028 -2.625 -3.386 277 HD1 HIS 34 HD1 HIS 34 8.269 -3.724 -5.340 278 HD2 HIS 34 HD2 HIS 34 5.497 -6.222 -3.502 279 HE1 HIS 34 HE1 HIS 34 8.018 -5.738 -6.844 280 H ILE 35 H ILE 35 5.976 -3.094 0.079 281 HA ILE 35 HA ILE 35 6.738 -0.347 0.198 282 HB ILE 35 HB ILE 35 5.017 -1.987 2.065 283 HG12 ILE 35 HG12 ILE 35 4.278 0.031 -0.063 284 HG13 ILE 35 HG13 ILE 35 4.195 -1.715 -0.269 285 HG21 ILE 35 HG21 ILE 35 5.417 1.001 1.954 286 HG22 ILE 35 HG22 ILE 35 5.930 -0.074 3.255 287 HG23 ILE 35 HG23 ILE 35 4.213 0.167 2.935 288 HD11 ILE 35 HD11 ILE 35 2.614 -0.098 1.717 289 HD12 ILE 35 HD12 ILE 35 2.519 -1.845 1.490 290 HD13 ILE 35 HD13 ILE 35 2.014 -0.759 0.195 291 H LYS 36 H LYS 36 7.281 -3.140 2.310 292 HA LYS 36 HA LYS 36 8.712 -1.776 4.314 293 HB2 LYS 36 HB2 LYS 36 7.733 -4.035 4.592 294 HB3 LYS 36 HB3 LYS 36 8.935 -4.678 3.483 295 HG2 LYS 36 HG2 LYS 36 10.707 -4.148 5.008 296 HG3 LYS 36 HG3 LYS 36 9.582 -3.316 6.077 297 HD2 LYS 36 HD2 LYS 36 10.097 -5.498 6.975 298 HD3 LYS 36 HD3 LYS 36 8.408 -5.444 6.472 299 HE2 LYS 36 HE2 LYS 36 8.922 -6.671 4.461 300 HE3 LYS 36 HE3 LYS 36 10.649 -6.601 4.815 301 HZ1 LYS 36 HZ1 LYS 36 8.659 -7.944 6.570 302 HZ2 LYS 36 HZ2 LYS 36 10.349 -8.001 6.699 303 HZ3 LYS 36 HZ3 LYS 36 9.577 -8.750 5.389 304 H ASP 37 H ASP 37 9.656 -3.004 1.204 305 HA ASP 37 HA ASP 37 12.482 -2.825 1.765 306 HB2 ASP 37 HB2 ASP 37 11.747 -4.540 0.236 307 HB3 ASP 37 HB3 ASP 37 10.980 -3.342 -0.803 308 H HIS 38 H HIS 38 10.058 -0.879 0.096 309 HA HIS 38 HA HIS 38 12.044 0.998 -0.865 310 HB2 HIS 38 HB2 HIS 38 9.046 0.875 -1.039 311 HB3 HIS 38 HB3 HIS 38 9.915 2.338 -1.482 312 HD1 HIS 38 HD1 HIS 38 11.375 2.249 -3.632 313 HD2 HIS 38 HD2 HIS 38 9.232 -1.232 -2.858 314 HE1 HIS 38 HE1 HIS 38 11.400 0.942 -5.781 315 HE2 HIS 38 HE2 HIS 38 10.048 -1.140 -5.318 316 H PHE 39 H PHE 39 9.308 1.148 1.406 317 HA PHE 39 HA PHE 39 10.138 3.815 2.218 318 HB2 PHE 39 HB2 PHE 39 7.684 2.176 2.886 319 HB3 PHE 39 HB3 PHE 39 7.966 3.826 3.436 320 HD1 PHE 39 HD1 PHE 39 8.270 5.620 1.685 321 HD2 PHE 39 HD2 PHE 39 6.703 1.769 0.800 322 HE1 PHE 39 HE1 PHE 39 7.279 6.510 -0.375 323 HE2 PHE 39 HE2 PHE 39 5.704 2.649 -1.272 324 HZ PHE 39 HZ PHE 39 5.992 5.024 -1.863 325 H ARG 40 H ARG 40 12.011 2.110 2.993 326 HA ARG 40 HA ARG 40 11.720 0.930 5.531 327 HB2 ARG 40 HB2 ARG 40 14.226 2.090 4.297 328 HB3 ARG 40 HB3 ARG 40 14.161 0.931 5.618 329 HG2 ARG 40 HG2 ARG 40 13.150 -0.716 4.119 330 HG3 ARG 40 HG3 ARG 40 13.240 0.444 2.794 331 HD2 ARG 40 HD2 ARG 40 15.693 0.521 3.079 332 HD3 ARG 40 HD3 ARG 40 15.561 -0.716 4.329 333 HE ARG 40 HE ARG 40 14.405 -1.427 1.774 334 HH11 ARG 40 HH11 ARG 40 17.247 -1.497 3.815 335 HH12 ARG 40 HH12 ARG 40 17.980 -2.820 2.963 336 HH21 ARG 40 HH21 ARG 40 15.354 -3.179 0.649 337 HH22 ARG 40 HH22 ARG 40 16.900 -3.787 1.171 338 H HIS 41 H HIS 41 11.000 2.034 7.218 339 HA HIS 41 HA HIS 41 10.913 3.488 8.952 340 HB2 HIS 41 HB2 HIS 41 13.685 3.969 7.954 341 HB3 HIS 41 HB3 HIS 41 13.010 5.095 9.127 342 HD1 HIS 41 HD1 HIS 41 14.467 4.428 11.067 343 HD2 HIS 41 HD2 HIS 41 12.410 1.218 9.398 344 HE1 HIS 41 HE1 HIS 41 14.768 2.511 12.675 345 HE2 HIS 41 HE2 HIS 41 13.378 0.635 11.728 346 H LYS 42 H LYS 42 10.291 4.284 5.985 347 HA LYS 42 HA LYS 42 10.292 7.154 6.193 348 HB2 LYS 42 HB2 LYS 42 10.664 5.809 4.083 349 HB3 LYS 42 HB3 LYS 42 8.956 5.401 4.136 350 HG2 LYS 42 HG2 LYS 42 8.295 7.562 3.672 351 HG3 LYS 42 HG3 LYS 42 9.844 8.249 4.177 352 HD2 LYS 42 HD2 LYS 42 10.888 7.054 2.240 353 HD3 LYS 42 HD3 LYS 42 9.256 6.642 1.700 354 HE2 LYS 42 HE2 LYS 42 10.065 8.624 0.568 355 HE3 LYS 42 HE3 LYS 42 8.698 9.005 1.613 356 HZ1 LYS 42 HZ1 LYS 42 10.644 10.587 1.691 357 HZ2 LYS 42 HZ2 LYS 42 11.497 9.363 2.499 358 HZ3 LYS 42 HZ3 LYS 42 10.080 10.009 3.182 359 H LEU 43 H LEU 43 8.700 8.303 7.094 360 HA LEU 43 HA LEU 43 6.432 7.011 8.256 361 HB2 LEU 43 HB2 LEU 43 6.893 9.970 7.904 362 HB3 LEU 43 HB3 LEU 43 5.792 9.204 9.032 363 HG LEU 43 HG LEU 43 8.801 9.020 9.137 364 HD11 LEU 43 HD11 LEU 43 7.916 11.256 9.638 365 HD12 LEU 43 HD12 LEU 43 8.635 10.481 11.051 366 HD13 LEU 43 HD13 LEU 43 6.880 10.551 10.880 367 HD21 LEU 43 HD21 LEU 43 7.727 7.031 10.043 368 HD22 LEU 43 HD22 LEU 43 6.686 8.035 11.052 369 HD23 LEU 43 HD23 LEU 43 8.425 8.005 11.336 370 H LEU 44 H LEU 44 4.224 7.417 7.784 371 HA LEU 44 HA LEU 44 3.694 7.389 4.986 372 HB2 LEU 44 HB2 LEU 44 1.470 6.907 5.521 373 HB3 LEU 44 HB3 LEU 44 2.408 6.159 6.797 374 HG LEU 44 HG LEU 44 1.050 8.835 7.100 375 HD11 LEU 44 HD11 LEU 44 -0.699 7.654 8.310 376 HD12 LEU 44 HD12 LEU 44 0.073 6.112 7.939 377 HD13 LEU 44 HD13 LEU 44 -0.600 7.095 6.638 378 HD21 LEU 44 HD21 LEU 44 2.199 6.895 9.106 379 HD22 LEU 44 HD22 LEU 44 1.323 8.373 9.501 380 HD23 LEU 44 HD23 LEU 44 2.872 8.464 8.666 381 H LYS 45 H LYS 45 4.040 9.931 7.202 382 HA LYS 45 HA LYS 45 2.276 11.696 5.681 383 HB2 LYS 45 HB2 LYS 45 2.811 13.363 7.498 384 HB3 LYS 45 HB3 LYS 45 1.907 11.940 7.997 385 HG2 LYS 45 HG2 LYS 45 3.686 11.048 9.150 386 HG3 LYS 45 HG3 LYS 45 4.878 11.983 8.244 387 HD2 LYS 45 HD2 LYS 45 2.877 13.372 9.980 388 HD3 LYS 45 HD3 LYS 45 4.308 12.637 10.699 389 HE2 LYS 45 HE2 LYS 45 4.705 14.989 10.244 390 HE3 LYS 45 HE3 LYS 45 5.737 13.986 9.232 391 HZ1 LYS 45 HZ1 LYS 45 3.210 15.280 8.342 392 HZ2 LYS 45 HZ2 LYS 45 4.262 14.377 7.373 393 HZ3 LYS 45 HZ3 LYS 45 4.771 15.854 8.021 394 H ASP 46 H ASP 46 5.279 10.700 5.184 395 HA ASP 46 HA ASP 46 5.896 13.304 3.972 396 HB2 ASP 46 HB2 ASP 46 8.289 12.915 4.181 397 HB3 ASP 46 HB3 ASP 46 7.530 12.907 5.765 398 H ILE 47 H ILE 47 4.625 10.584 3.260 399 HA ILE 47 HA ILE 47 6.170 9.657 1.033 400 HB ILE 47 HB ILE 47 3.201 9.279 1.470 401 HG12 ILE 47 HG12 ILE 47 4.400 8.536 3.466 402 HG13 ILE 47 HG13 ILE 47 3.771 7.154 2.576 403 HG21 ILE 47 HG21 ILE 47 3.550 7.231 0.141 404 HG22 ILE 47 HG22 ILE 47 5.232 7.704 -0.101 405 HG23 ILE 47 HG23 ILE 47 3.933 8.701 -0.756 406 HD11 ILE 47 HD11 ILE 47 5.984 6.743 1.646 407 HD12 ILE 47 HD12 ILE 47 6.006 6.729 3.409 408 HD13 ILE 47 HD13 ILE 47 6.614 8.132 2.531 409 H LYS 48 H LYS 48 6.489 10.903 -0.707 410 HA LYS 48 HA LYS 48 4.651 13.037 -1.348 411 HB2 LYS 48 HB2 LYS 48 7.073 12.152 -2.919 412 HB3 LYS 48 HB3 LYS 48 6.237 13.694 -3.031 413 HG2 LYS 48 HG2 LYS 48 6.910 14.129 -0.657 414 HG3 LYS 48 HG3 LYS 48 7.919 12.681 -0.755 415 HD2 LYS 48 HD2 LYS 48 8.896 13.790 -2.872 416 HD3 LYS 48 HD3 LYS 48 8.175 15.271 -2.242 417 HE2 LYS 48 HE2 LYS 48 10.478 15.138 -1.551 418 HE3 LYS 48 HE3 LYS 48 9.433 14.949 -0.143 419 HZ1 LYS 48 HZ1 LYS 48 11.421 13.361 -0.479 420 HZ2 LYS 48 HZ2 LYS 48 10.394 12.564 -1.578 421 HZ3 LYS 48 HZ3 LYS 48 9.940 12.733 0.046 422 H ARG 49 H ARG 49 3.954 13.319 -3.656 423 HA ARG 49 HA ARG 49 2.428 11.043 -4.439 424 HB2 ARG 49 HB2 ARG 49 2.930 13.701 -5.793 425 HB3 ARG 49 HB3 ARG 49 1.870 12.468 -6.460 426 HG2 ARG 49 HG2 ARG 49 0.463 13.983 -5.369 427 HG3 ARG 49 HG3 ARG 49 0.577 12.597 -4.289 428 HD2 ARG 49 HD2 ARG 49 0.727 14.635 -3.007 429 HD3 ARG 49 HD3 ARG 49 2.280 13.802 -2.973 430 HE ARG 49 HE ARG 49 3.059 15.420 -4.647 431 HH11 ARG 49 HH11 ARG 49 0.210 16.217 -2.770 432 HH12 ARG 49 HH12 ARG 49 0.398 17.935 -2.967 433 HH21 ARG 49 HH21 ARG 49 3.292 17.684 -4.936 434 HH22 ARG 49 HH22 ARG 49 2.132 18.759 -4.215 435 H THR 50 H THR 50 5.390 12.545 -5.497 436 HA THR 50 HA THR 50 5.748 11.010 -7.857 437 HB THR 50 HB THR 50 8.222 11.792 -7.398 438 HG1 THR 50 HG1 THR 50 8.445 13.060 -5.700 439 HG21 THR 50 HG21 THR 50 7.650 14.002 -8.345 440 HG22 THR 50 HG22 THR 50 5.949 13.695 -7.991 441 HG23 THR 50 HG23 THR 50 6.802 12.690 -9.163 442 H GLU 51 H GLU 51 6.847 10.667 -4.511 443 HA GLU 51 HA GLU 51 8.447 8.370 -4.899 444 HB2 GLU 51 HB2 GLU 51 7.278 9.814 -2.616 445 HB3 GLU 51 HB3 GLU 51 7.432 8.087 -2.346 446 HG2 GLU 51 HG2 GLU 51 9.368 9.184 -1.493 447 HG3 GLU 51 HG3 GLU 51 9.825 8.245 -2.911 448 H TYR 52 H TYR 52 5.021 8.820 -4.212 449 HA TYR 52 HA TYR 52 4.400 6.064 -3.948 450 HB2 TYR 52 HB2 TYR 52 2.964 7.880 -3.079 451 HB3 TYR 52 HB3 TYR 52 2.605 8.371 -4.730 452 HD1 TYR 52 HD2 TYR 52 2.639 5.089 -2.935 453 HD2 TYR 52 HD1 TYR 52 0.448 7.843 -5.322 454 HE1 TYR 52 HE2 TYR 52 0.738 3.533 -2.976 455 HE2 TYR 52 HE1 TYR 52 -1.458 6.294 -5.370 456 HH TYR 52 HH TYR 52 -2.041 4.072 -5.015 457 H GLN 53 H GLN 53 4.427 8.319 -6.649 458 HA GLN 53 HA GLN 53 3.222 6.589 -8.525 459 HB2 GLN 53 HB2 GLN 53 3.387 9.049 -8.790 460 HB3 GLN 53 HB3 GLN 53 5.117 8.881 -9.052 461 HG2 GLN 53 HG2 GLN 53 3.885 9.152 -11.144 462 HG3 GLN 53 HG3 GLN 53 4.725 7.603 -11.067 463 HE21 GLN 53 HE21 GLN 53 3.540 5.711 -10.960 464 HE22 GLN 53 HE22 GLN 53 1.831 5.662 -11.244 465 H LYS 54 H LYS 54 6.615 7.175 -7.653 466 HA LYS 54 HA LYS 54 7.675 5.569 -9.740 467 HB2 LYS 54 HB2 LYS 54 9.794 5.752 -8.644 468 HB3 LYS 54 HB3 LYS 54 8.974 7.295 -8.478 469 HG2 LYS 54 HG2 LYS 54 8.333 6.667 -6.181 470 HG3 LYS 54 HG3 LYS 54 9.285 5.191 -6.359 471 HD2 LYS 54 HD2 LYS 54 10.496 7.038 -5.205 472 HD3 LYS 54 HD3 LYS 54 11.304 6.460 -6.664 473 HE2 LYS 54 HE2 LYS 54 10.423 8.335 -7.927 474 HE3 LYS 54 HE3 LYS 54 9.518 8.888 -6.521 475 HZ1 LYS 54 HZ1 LYS 54 11.593 9.301 -5.378 476 HZ2 LYS 54 HZ2 LYS 54 11.544 10.152 -6.840 477 HZ3 LYS 54 HZ3 LYS 54 12.483 8.746 -6.714 478 H PHE 55 H PHE 55 6.503 4.894 -6.532 479 HA PHE 55 HA PHE 55 7.351 2.212 -6.326 480 HB2 PHE 55 HB2 PHE 55 6.496 3.419 -4.393 481 HB3 PHE 55 HB3 PHE 55 4.939 3.642 -5.178 482 HD1 PHE 55 HD1 PHE 55 7.214 1.082 -3.772 483 HD2 PHE 55 HD2 PHE 55 3.246 2.054 -4.959 484 HE1 PHE 55 HE1 PHE 55 6.396 -0.985 -2.722 485 HE2 PHE 55 HE2 PHE 55 2.418 -0.011 -3.910 486 HZ PHE 55 HZ PHE 55 3.997 -1.534 -2.786 487 H LEU 56 H LEU 56 4.414 3.710 -7.626 488 HA LEU 56 HA LEU 56 3.134 1.329 -8.434 489 HB2 LEU 56 HB2 LEU 56 2.887 4.145 -9.489 490 HB3 LEU 56 HB3 LEU 56 1.818 2.830 -9.935 491 HG LEU 56 HG LEU 56 2.151 3.856 -7.113 492 HD11 LEU 56 HD11 LEU 56 -0.041 4.901 -7.443 493 HD12 LEU 56 HD12 LEU 56 -0.009 4.422 -9.140 494 HD13 LEU 56 HD13 LEU 56 1.174 5.577 -8.527 495 HD21 LEU 56 HD21 LEU 56 1.413 1.519 -7.283 496 HD22 LEU 56 HD22 LEU 56 0.092 2.021 -8.341 497 HD23 LEU 56 HD23 LEU 56 0.136 2.566 -6.664 498 H ASN 57 H ASN 57 5.398 3.493 -10.071 499 HA ASN 57 HA ASN 57 5.192 2.415 -12.648 500 HB2 ASN 57 HB2 ASN 57 7.519 3.755 -11.266 501 HB3 ASN 57 HB3 ASN 57 7.542 3.297 -12.964 502 HD21 ASN 57 HD21 ASN 57 7.802 5.921 -11.825 503 HD22 ASN 57 HD22 ASN 57 6.502 6.874 -12.472 504 H GLU 58 H GLU 58 7.179 1.439 -9.900 505 HA GLU 58 HA GLU 58 8.593 -0.594 -11.329 506 HB2 GLU 58 HB2 GLU 58 9.547 0.383 -9.311 507 HB3 GLU 58 HB3 GLU 58 8.175 -0.176 -8.364 508 HG2 GLU 58 HG2 GLU 58 8.817 -2.507 -8.900 509 HG3 GLU 58 HG3 GLU 58 10.255 -1.884 -9.708 510 H TYR 59 H TYR 59 5.737 -0.506 -9.263 511 HA TYR 59 HA TYR 59 5.413 -3.304 -9.066 512 HB2 TYR 59 HB2 TYR 59 4.343 -1.394 -7.668 513 HB3 TYR 59 HB3 TYR 59 3.114 -1.379 -8.928 514 HD1 TYR 59 HD1 TYR 59 4.603 -3.334 -6.207 515 HD2 TYR 59 HD2 TYR 59 1.521 -3.176 -9.131 516 HE1 TYR 59 HE1 TYR 59 3.453 -5.186 -5.077 517 HE2 TYR 59 HE2 TYR 59 0.355 -5.030 -8.007 518 HH TYR 59 HH TYR 59 1.112 -6.074 -4.910 519 H GLY 60 H GLY 60 4.334 -0.915 -11.390 520 HA2 GLY 60 HA2 GLY 60 2.595 -2.684 -12.824 521 HA3 GLY 60 HA3 GLY 60 3.161 -1.111 -13.363 522 H LEU 61 H LEU 61 5.959 -2.450 -12.665 523 HA LEU 61 HA LEU 61 6.372 -3.523 -15.346 524 HB2 LEU 61 HB2 LEU 61 8.277 -2.893 -13.090 525 HB3 LEU 61 HB3 LEU 61 8.782 -3.641 -14.593 526 HG LEU 61 HG LEU 61 7.488 -0.920 -14.390 527 HD11 LEU 61 HD11 LEU 61 9.718 -0.039 -14.848 528 HD12 LEU 61 HD12 LEU 61 10.385 -1.670 -14.769 529 HD13 LEU 61 HD13 LEU 61 9.682 -0.933 -13.329 530 HD21 LEU 61 HD21 LEU 61 7.127 -2.074 -16.527 531 HD22 LEU 61 HD22 LEU 61 8.869 -2.297 -16.692 532 HD23 LEU 61 HD23 LEU 61 8.183 -0.673 -16.703 533 H THR 62 H THR 62 5.892 -4.595 -12.139 534 HA THR 62 HA THR 62 7.070 -7.219 -12.705 535 HB THR 62 HB THR 62 6.749 -7.517 -10.173 536 HG1 THR 62 HG1 THR 62 6.833 -4.719 -9.985 537 HG21 THR 62 HG21 THR 62 8.935 -7.154 -11.202 538 HG22 THR 62 HG22 THR 62 8.817 -6.286 -9.672 539 HG23 THR 62 HG23 THR 62 8.663 -5.413 -11.197 540 H HIS 63 H HIS 63 4.055 -5.627 -11.868 541 HA HIS 63 HA HIS 63 2.747 -8.265 -11.804 542 HB2 HIS 63 HB2 HIS 63 2.121 -5.815 -10.149 543 HB3 HIS 63 HB3 HIS 63 1.110 -7.257 -10.207 544 HD1 HIS 63 HD1 HIS 63 4.567 -6.161 -9.103 545 HD2 HIS 63 HD2 HIS 63 1.894 -9.298 -8.567 546 HE1 HIS 63 HE1 HIS 63 5.531 -7.563 -7.255 547 HE2 HIS 63 HE2 HIS 63 4.039 -9.594 -7.152 548 H SER 64 H SER 64 0.378 -8.142 -12.264 549 HA SER 64 HA SER 64 0.036 -6.883 -14.806 550 HB2 SER 64 HB2 SER 64 -2.247 -7.988 -14.651 551 HB3 SER 64 HB3 SER 64 -0.857 -9.069 -14.542 552 HG SER 64 HG SER 64 -2.132 -9.672 -12.885 553 H TYR 65 H TYR 65 -2.256 -5.907 -15.238 554 HA TYR 65 HA TYR 65 -2.233 -3.382 -14.012 555 HB2 TYR 65 HB2 TYR 65 -3.042 -3.595 -16.261 556 HB3 TYR 65 HB3 TYR 65 -4.316 -4.700 -15.756 557 HD1 TYR 65 HD1 TYR 65 -3.115 -1.203 -15.305 558 HD2 TYR 65 HD2 TYR 65 -6.436 -3.872 -15.189 559 HE1 TYR 65 HE1 TYR 65 -4.629 0.704 -14.986 560 HE2 TYR 65 HE2 TYR 65 -7.958 -1.965 -14.878 561 HH TYR 65 HH TYR 65 -8.014 0.263 -14.253 562 H GLU 66 H GLU 66 -4.499 -6.117 -13.608 563 HA GLU 66 HA GLU 66 -6.252 -4.745 -11.896 564 HB2 GLU 66 HB2 GLU 66 -6.641 -7.003 -13.017 565 HB3 GLU 66 HB3 GLU 66 -5.700 -7.701 -11.700 566 HG2 GLU 66 HG2 GLU 66 -7.362 -6.355 -10.202 567 HG3 GLU 66 HG3 GLU 66 -8.372 -6.404 -11.647 568 H THR 67 H THR 67 -3.302 -6.521 -11.296 569 HA THR 67 HA THR 67 -3.506 -6.647 -8.487 570 HB THR 67 HB THR 67 -0.938 -6.629 -10.081 571 HG1 THR 67 HG1 THR 67 -1.914 -8.295 -11.044 572 HG21 THR 67 HG21 THR 67 -0.151 -8.105 -8.289 573 HG22 THR 67 HG22 THR 67 -1.715 -7.968 -7.486 574 HG23 THR 67 HG23 THR 67 -0.678 -6.550 -7.643 575 H ILE 68 H ILE 68 -1.826 -4.344 -10.655 576 HA ILE 68 HA ILE 68 -0.898 -2.729 -8.494 577 HB ILE 68 HB ILE 68 0.265 -2.684 -10.645 578 HG12 ILE 68 HG12 ILE 68 -0.944 -0.005 -9.920 579 HG13 ILE 68 HG13 ILE 68 0.449 -0.748 -9.141 580 HG21 ILE 68 HG21 ILE 68 -2.204 -1.327 -11.717 581 HG22 ILE 68 HG22 ILE 68 -1.620 -2.933 -12.151 582 HG23 ILE 68 HG23 ILE 68 -0.673 -1.508 -12.576 583 HD11 ILE 68 HD11 ILE 68 1.123 0.978 -10.707 584 HD12 ILE 68 HD12 ILE 68 0.298 0.132 -12.015 585 HD13 ILE 68 HD13 ILE 68 1.696 -0.605 -11.231 586 H ARG 69 H ARG 69 -3.763 -2.715 -10.528 587 HA ARG 69 HA ARG 69 -4.816 -0.228 -9.760 588 HB2 ARG 69 HB2 ARG 69 -5.698 -1.646 -11.616 589 HB3 ARG 69 HB3 ARG 69 -6.366 -2.745 -10.416 590 HG2 ARG 69 HG2 ARG 69 -7.774 -0.944 -9.552 591 HG3 ARG 69 HG3 ARG 69 -7.113 0.149 -10.769 592 HD2 ARG 69 HD2 ARG 69 -7.937 -1.494 -12.502 593 HD3 ARG 69 HD3 ARG 69 -8.810 -2.296 -11.196 594 HE ARG 69 HE ARG 69 -9.313 0.534 -11.381 595 HH11 ARG 69 HH11 ARG 69 -10.321 -2.657 -12.462 596 HH12 ARG 69 HH12 ARG 69 -11.902 -2.114 -12.957 597 HH21 ARG 69 HH21 ARG 69 -11.362 1.229 -12.032 598 HH22 ARG 69 HH22 ARG 69 -12.503 0.101 -12.699 599 H LYS 70 H LYS 70 -5.193 -3.458 -8.369 600 HA LYS 70 HA LYS 70 -6.852 -2.620 -6.226 601 HB2 LYS 70 HB2 LYS 70 -5.437 -5.099 -7.008 602 HB3 LYS 70 HB3 LYS 70 -5.809 -4.923 -5.297 603 HG2 LYS 70 HG2 LYS 70 -8.016 -5.190 -5.612 604 HG3 LYS 70 HG3 LYS 70 -8.019 -4.280 -7.119 605 HD2 LYS 70 HD2 LYS 70 -8.634 -6.626 -7.463 606 HD3 LYS 70 HD3 LYS 70 -7.147 -6.210 -8.312 607 HE2 LYS 70 HE2 LYS 70 -5.814 -7.349 -6.720 608 HE3 LYS 70 HE3 LYS 70 -7.166 -7.512 -5.598 609 HZ1 LYS 70 HZ1 LYS 70 -7.126 -8.777 -8.289 610 HZ2 LYS 70 HZ2 LYS 70 -8.208 -9.072 -7.016 611 HZ3 LYS 70 HZ3 LYS 70 -6.596 -9.562 -6.883 612 H LEU 71 H LEU 71 -3.362 -3.044 -6.585 613 HA LEU 71 HA LEU 71 -2.514 -2.600 -3.987 614 HB2 LEU 71 HB2 LEU 71 -0.905 -3.119 -5.665 615 HB3 LEU 71 HB3 LEU 71 -1.347 -1.715 -6.619 616 HG LEU 71 HG LEU 71 -0.478 -0.304 -4.688 617 HD11 LEU 71 HD11 LEU 71 -0.467 -2.034 -2.986 618 HD12 LEU 71 HD12 LEU 71 1.147 -1.358 -3.215 619 HD13 LEU 71 HD13 LEU 71 0.744 -2.936 -3.894 620 HD21 LEU 71 HD21 LEU 71 0.721 -0.540 -6.777 621 HD22 LEU 71 HD22 LEU 71 1.437 -2.052 -6.219 622 HD23 LEU 71 HD23 LEU 71 1.848 -0.533 -5.421 623 H ASN 72 H ASN 72 -3.083 -0.166 -6.504 624 HA ASN 72 HA ASN 72 -2.707 2.146 -5.018 625 HB2 ASN 72 HB2 ASN 72 -3.052 2.005 -7.497 626 HB3 ASN 72 HB3 ASN 72 -4.765 1.743 -7.199 627 HD21 ASN 72 HD21 ASN 72 -5.519 3.541 -8.158 628 HD22 ASN 72 HD22 ASN 72 -5.177 5.152 -7.616 629 H SER 73 H SER 73 -5.589 0.147 -5.391 630 HA SER 73 HA SER 73 -7.389 1.799 -3.995 631 HB2 SER 73 HB2 SER 73 -8.132 -0.029 -5.451 632 HB3 SER 73 HB3 SER 73 -7.416 -1.210 -4.356 633 HG SER 73 HG SER 73 -9.590 -1.076 -3.896 634 H TYR 74 H TYR 74 -5.283 -0.844 -2.892 635 HA TYR 74 HA TYR 74 -6.226 -0.954 -0.238 636 HB2 TYR 74 HB2 TYR 74 -3.403 -1.531 -1.160 637 HB3 TYR 74 HB3 TYR 74 -4.172 -2.124 0.303 638 HD1 TYR 74 HD2 TYR 74 -6.865 -2.741 -1.278 639 HD2 TYR 74 HD1 TYR 74 -2.770 -3.749 -1.834 640 HE1 TYR 74 HE2 TYR 74 -7.533 -4.779 -2.486 641 HE2 TYR 74 HE1 TYR 74 -3.423 -5.784 -3.038 642 HH TYR 74 HH TYR 74 -5.332 -7.276 -3.217 643 H ILE 75 H ILE 75 -3.428 0.728 -1.636 644 HA ILE 75 HA ILE 75 -2.555 1.870 0.791 645 HB ILE 75 HB ILE 75 -1.988 2.694 -2.059 646 HG12 ILE 75 HG12 ILE 75 -0.417 1.030 -0.077 647 HG13 ILE 75 HG13 ILE 75 -1.285 0.406 -1.474 648 HG21 ILE 75 HG21 ILE 75 -0.064 3.899 -1.151 649 HG22 ILE 75 HG22 ILE 75 -0.583 3.500 0.487 650 HG23 ILE 75 HG23 ILE 75 -1.580 4.548 -0.525 651 HD11 ILE 75 HD11 ILE 75 1.100 2.235 -1.527 652 HD12 ILE 75 HD12 ILE 75 0.217 1.668 -2.943 653 HD13 ILE 75 HD13 ILE 75 1.079 0.517 -1.922 654 H ARG 76 H ARG 76 -4.533 3.171 -1.865 655 HA ARG 76 HA ARG 76 -4.793 5.768 -0.833 656 HB2 ARG 76 HB2 ARG 76 -5.404 5.169 -3.138 657 HB3 ARG 76 HB3 ARG 76 -6.756 4.222 -2.535 658 HG2 ARG 76 HG2 ARG 76 -7.833 6.199 -1.686 659 HG3 ARG 76 HG3 ARG 76 -6.436 7.186 -2.124 660 HD2 ARG 76 HD2 ARG 76 -8.246 7.408 -3.755 661 HD3 ARG 76 HD3 ARG 76 -6.802 6.698 -4.474 662 HE ARG 76 HE ARG 76 -8.884 4.875 -3.527 663 HH11 ARG 76 HH11 ARG 76 -7.273 6.453 -6.205 664 HH12 ARG 76 HH12 ARG 76 -7.919 5.382 -7.412 665 HH21 ARG 76 HH21 ARG 76 -9.743 3.446 -5.099 666 HH22 ARG 76 HH22 ARG 76 -9.327 3.664 -6.777 667 H ASN 77 H ASN 77 -6.648 2.823 -0.260 668 HA ASN 77 HA ASN 77 -8.712 3.990 1.277 669 HB2 ASN 77 HB2 ASN 77 -8.675 1.666 0.244 670 HB3 ASN 77 HB3 ASN 77 -7.640 1.178 1.577 671 HD21 ASN 77 HD21 ASN 77 -10.291 0.246 0.808 672 HD22 ASN 77 HD22 ASN 77 -11.298 0.489 2.198 673 H ALA 78 H ALA 78 -5.559 2.634 2.116 674 HA ALA 78 HA ALA 78 -5.811 2.828 4.917 675 HB1 ALA 78 HB1 ALA 78 -3.394 2.586 4.980 676 HB2 ALA 78 HB2 ALA 78 -3.298 2.934 3.254 677 HB3 ALA 78 HB3 ALA 78 -4.100 1.467 3.816 678 H PHE 79 H PHE 79 -4.469 5.080 2.516 679 HA PHE 79 HA PHE 79 -3.798 7.055 4.462 680 HB2 PHE 79 HB2 PHE 79 -3.895 6.994 1.478 681 HB3 PHE 79 HB3 PHE 79 -3.791 8.550 2.300 682 HD1 PHE 79 HD2 PHE 79 -1.993 8.587 4.247 683 HD2 PHE 79 HD1 PHE 79 -1.909 5.994 0.875 684 HE1 PHE 79 HE2 PHE 79 0.429 8.299 4.537 685 HE2 PHE 79 HE1 PHE 79 0.518 5.699 1.160 686 HZ PHE 79 HZ PHE 79 1.689 6.855 2.998 687 H ASP 80 H ASP 80 -6.616 6.398 2.504 688 HA ASP 80 HA ASP 80 -8.058 8.749 2.922 689 HB2 ASP 80 HB2 ASP 80 -8.874 7.115 1.363 690 HB3 ASP 80 HB3 ASP 80 -8.970 5.879 2.613 691 H ASP 81 H ASP 81 -7.561 5.952 5.010 692 HA ASP 81 HA ASP 81 -9.377 6.875 7.035 693 HB2 ASP 81 HB2 ASP 81 -8.785 4.479 6.793 694 HB3 ASP 81 HB3 ASP 81 -7.133 4.855 7.271 695 H ALA 82 H ALA 82 -5.871 6.963 6.561 696 HA ALA 82 HA ALA 82 -5.097 8.144 8.962 697 HB1 ALA 82 HB1 ALA 82 -3.883 8.581 6.233 698 HB2 ALA 82 HB2 ALA 82 -3.518 7.241 7.320 699 HB3 ALA 82 HB3 ALA 82 -3.100 8.890 7.784 700 H ILE 83 H ILE 83 -6.145 9.675 5.934 701 HA ILE 83 HA ILE 83 -5.893 12.337 6.961 702 HB ILE 83 HB ILE 83 -5.770 11.759 4.541 703 HG12 ILE 83 HG12 ILE 83 -7.876 13.794 5.298 704 HG13 ILE 83 HG13 ILE 83 -6.138 14.074 5.236 705 HG21 ILE 83 HG21 ILE 83 -8.747 11.391 4.792 706 HG22 ILE 83 HG22 ILE 83 -7.557 10.159 4.366 707 HG23 ILE 83 HG23 ILE 83 -7.861 11.506 3.270 708 HD11 ILE 83 HD11 ILE 83 -6.131 13.753 2.850 709 HD12 ILE 83 HD12 ILE 83 -7.338 14.967 3.279 710 HD13 ILE 83 HD13 ILE 83 -7.841 13.324 2.871 711 H HIS 84 H HIS 84 -8.437 9.958 6.746 712 HA HIS 84 HA HIS 84 -10.648 11.567 7.425 713 HB2 HIS 84 HB2 HIS 84 -10.689 9.201 6.520 714 HB3 HIS 84 HB3 HIS 84 -10.243 8.651 8.130 715 HD1 HIS 84 HD1 HIS 84 -12.136 8.061 9.599 716 HD2 HIS 84 HD2 HIS 84 -13.246 10.684 6.569 717 HE1 HIS 84 HE1 HIS 84 -14.631 8.323 9.807 718 HE2 HIS 84 HE2 HIS 84 -15.296 9.712 7.815 719 H GLU 85 H GLU 85 -8.152 10.010 9.259 720 HA GLU 85 HA GLU 85 -9.366 10.511 11.831 721 HB2 GLU 85 HB2 GLU 85 -7.752 8.613 11.223 722 HB3 GLU 85 HB3 GLU 85 -6.478 9.817 11.266 723 HG2 GLU 85 HG2 GLU 85 -8.280 9.213 13.593 724 HG3 GLU 85 HG3 GLU 85 -6.730 8.425 13.326 725 H GLY 86 H GLY 86 -6.726 11.832 9.898 726 HA2 GLY 86 HA2 GLY 86 -6.218 14.221 10.001 727 HA3 GLY 86 HA3 GLY 86 -6.612 14.159 11.719 728 H TYR 87 H TYR 87 -5.068 11.415 10.621 729 HA TYR 87 HA TYR 87 -2.771 11.791 12.242 730 HB2 TYR 87 HB2 TYR 87 -4.015 9.623 11.549 731 HB3 TYR 87 HB3 TYR 87 -3.058 9.717 10.077 732 HD1 TYR 87 HD1 TYR 87 -2.182 10.356 13.647 733 HD2 TYR 87 HD2 TYR 87 -1.491 8.044 10.149 734 HE1 TYR 87 HE1 TYR 87 -0.359 9.177 14.801 735 HE2 TYR 87 HE2 TYR 87 0.341 6.859 11.288 736 HH TYR 87 HH TYR 87 0.777 6.858 14.551 737 H VAL 88 H VAL 88 -3.438 11.930 8.801 738 HA VAL 88 HA VAL 88 -0.973 13.482 8.440 739 HB VAL 88 HB VAL 88 -2.018 11.479 6.419 740 HG11 VAL 88 HG11 VAL 88 0.035 11.981 5.192 741 HG12 VAL 88 HG12 VAL 88 0.465 13.184 6.407 742 HG13 VAL 88 HG13 VAL 88 -0.962 13.421 5.398 743 HG21 VAL 88 HG21 VAL 88 0.004 10.192 6.888 744 HG22 VAL 88 HG22 VAL 88 -1.019 10.335 8.318 745 HG23 VAL 88 HG23 VAL 88 0.428 11.329 8.168 746 H ILE 89 H ILE 89 -1.300 15.363 7.362 747 HA ILE 89 HA ILE 89 -3.968 16.276 7.159 748 HB ILE 89 HB ILE 89 -2.182 17.781 7.810 749 HG12 ILE 89 HG12 ILE 89 -3.426 18.627 5.182 750 HG13 ILE 89 HG13 ILE 89 -4.204 18.726 6.757 751 HG21 ILE 89 HG21 ILE 89 -0.383 16.865 6.460 752 HG22 ILE 89 HG22 ILE 89 -0.532 18.603 6.212 753 HG23 ILE 89 HG23 ILE 89 -1.147 17.484 4.995 754 HD11 ILE 89 HD11 ILE 89 -2.506 20.323 7.489 755 HD12 ILE 89 HD12 ILE 89 -3.367 20.888 6.056 756 HD13 ILE 89 HD13 ILE 89 -1.740 20.226 5.902 757 H LYS 90 H LYS 90 -1.702 15.085 4.743 758 HA LYS 90 HA LYS 90 -3.841 15.241 2.765 759 HB2 LYS 90 HB2 LYS 90 -2.298 16.128 1.052 760 HB3 LYS 90 HB3 LYS 90 -2.564 17.260 2.369 761 HG2 LYS 90 HG2 LYS 90 -0.397 16.456 3.360 762 HG3 LYS 90 HG3 LYS 90 -0.126 15.579 1.852 763 HD2 LYS 90 HD2 LYS 90 1.016 17.713 1.773 764 HD3 LYS 90 HD3 LYS 90 -0.318 17.712 0.616 765 HE2 LYS 90 HE2 LYS 90 -1.696 18.974 2.151 766 HE3 LYS 90 HE3 LYS 90 -0.449 18.884 3.392 767 HZ1 LYS 90 HZ1 LYS 90 -0.282 20.336 0.807 768 HZ2 LYS 90 HZ2 LYS 90 1.016 20.150 1.877 769 HZ3 LYS 90 HZ3 LYS 90 -0.363 21.015 2.358 770 H ASN 91 H ASN 91 -3.853 13.611 1.294 771 HA ASN 91 HA ASN 91 -2.089 11.382 1.942 772 HB2 ASN 91 HB2 ASN 91 -3.746 10.017 0.650 773 HB3 ASN 91 HB3 ASN 91 -4.423 10.833 2.051 774 HD21 ASN 91 HD21 ASN 91 -5.726 9.801 -0.350 775 HD22 ASN 91 HD22 ASN 91 -6.575 11.142 -1.045 776 HA PRO 92 HA PRO 92 0.440 11.850 -1.622 777 HB2 PRO 92 HB2 PRO 92 0.672 8.902 -1.559 778 HB3 PRO 92 HB3 PRO 92 1.931 10.133 -1.425 779 HG2 PRO 92 HG2 PRO 92 1.162 8.727 0.703 780 HG3 PRO 92 HG3 PRO 92 1.563 10.450 0.841 781 HD2 PRO 92 HD2 PRO 92 -1.125 9.132 0.725 782 HD3 PRO 92 HD3 PRO 92 -0.569 10.469 1.754 783 H THR 93 H THR 93 -2.300 9.714 -1.626 784 HA THR 93 HA THR 93 -2.198 9.081 -4.414 785 HB THR 93 HB THR 93 -4.607 8.369 -4.029 786 HG1 THR 93 HG1 THR 93 -5.039 9.723 -2.234 787 HG21 THR 93 HG21 THR 93 -2.475 7.229 -2.219 788 HG22 THR 93 HG22 THR 93 -2.765 6.779 -3.899 789 HG23 THR 93 HG23 THR 93 -3.974 6.416 -2.667 790 H TYR 94 H TYR 94 -1.768 11.387 -4.935 791 HA TYR 94 HA TYR 94 -4.192 13.041 -5.058 792 HB2 TYR 94 HB2 TYR 94 -2.393 14.121 -3.897 793 HB3 TYR 94 HB3 TYR 94 -1.249 13.709 -5.164 794 HD1 TYR 94 HD2 TYR 94 -4.032 15.929 -4.230 795 HD2 TYR 94 HD1 TYR 94 -1.053 15.062 -7.141 796 HE1 TYR 94 HE2 TYR 94 -4.410 18.128 -5.264 797 HE2 TYR 94 HE1 TYR 94 -1.414 17.256 -8.184 798 HH TYR 94 HH TYR 94 -3.230 18.963 -8.309 799 H LYS 95 H LYS 95 -1.451 11.892 -6.996 800 HA LYS 95 HA LYS 95 -3.024 12.413 -9.421 801 HB2 LYS 95 HB2 LYS 95 -1.085 13.329 -10.555 802 HB3 LYS 95 HB3 LYS 95 -1.412 14.264 -9.104 803 HG2 LYS 95 HG2 LYS 95 0.400 13.132 -7.939 804 HG3 LYS 95 HG3 LYS 95 0.704 12.134 -9.362 805 HD2 LYS 95 HD2 LYS 95 1.018 15.126 -9.134 806 HD3 LYS 95 HD3 LYS 95 2.302 13.931 -9.318 807 HE2 LYS 95 HE2 LYS 95 1.328 13.306 -11.519 808 HE3 LYS 95 HE3 LYS 95 0.165 14.619 -11.330 809 HZ1 LYS 95 HZ1 LYS 95 2.011 16.182 -11.242 810 HZ2 LYS 95 HZ2 LYS 95 2.021 15.304 -12.693 811 HZ3 LYS 95 HZ3 LYS 95 3.120 14.912 -11.462 812 H ALA 96 H ALA 96 -2.487 9.977 -7.924 813 HA ALA 96 HA ALA 96 -0.338 8.516 -9.037 814 HB1 ALA 96 HB1 ALA 96 -1.319 7.854 -6.931 815 HB2 ALA 96 HB2 ALA 96 -1.435 6.538 -8.105 816 HB3 ALA 96 HB3 ALA 96 -2.855 7.513 -7.731 817 H GLU 97 H GLU 97 -0.150 7.365 -10.822 818 HA GLU 97 HA GLU 97 -2.588 6.812 -12.373 819 HB2 GLU 97 HB2 GLU 97 -1.051 8.300 -13.566 820 HB3 GLU 97 HB3 GLU 97 0.252 7.132 -13.358 821 HG2 GLU 97 HG2 GLU 97 -1.076 5.492 -14.629 822 HG3 GLU 97 HG3 GLU 97 -2.276 6.747 -14.923 823 H LEU 98 H LEU 98 -3.048 4.757 -12.856 824 HA LEU 98 HA LEU 98 -1.418 2.601 -11.893 825 HB2 LEU 98 HB2 LEU 98 -3.812 2.558 -13.739 826 HB3 LEU 98 HB3 LEU 98 -3.108 1.163 -12.940 827 HG LEU 98 HG LEU 98 -4.343 3.495 -11.487 828 HD11 LEU 98 HD11 LEU 98 -6.218 1.973 -11.050 829 HD12 LEU 98 HD12 LEU 98 -5.491 0.788 -12.136 830 HD13 LEU 98 HD13 LEU 98 -6.042 2.341 -12.765 831 HD21 LEU 98 HD21 LEU 98 -3.480 0.769 -10.540 832 HD22 LEU 98 HD22 LEU 98 -4.271 2.006 -9.560 833 HD23 LEU 98 HD23 LEU 98 -2.654 2.291 -10.207 834 H HIS 99 H HIS 99 0.517 2.484 -12.904 835 HA HIS 99 HA HIS 99 0.517 2.624 -15.842 836 HB2 HIS 99 HB2 HIS 99 1.705 4.454 -14.507 837 HB3 HIS 99 HB3 HIS 99 2.879 3.222 -14.063 838 HD1 HIS 99 HD1 HIS 99 1.891 5.496 -16.797 839 HD2 HIS 99 HD2 HIS 99 4.467 2.265 -16.264 840 HE1 HIS 99 HE1 HIS 99 3.443 5.518 -18.784 841 HE2 HIS 99 HE2 HIS 99 5.015 3.583 -18.424 842 H ALA 100 H ALA 100 0.234 0.428 -16.195 843 HA ALA 100 HA ALA 100 2.361 -1.337 -15.195 844 HB1 ALA 100 HB1 ALA 100 -0.293 -2.046 -16.443 845 HB2 ALA 100 HB2 ALA 100 0.070 -2.062 -14.717 846 HB3 ALA 100 HB3 ALA 100 0.891 -3.185 -15.803 847 H SER 101 H SER 101 3.908 -1.946 -16.559 848 HA SER 101 HA SER 101 3.521 -1.393 -19.421 849 HB2 SER 101 HB2 SER 101 5.419 -0.239 -18.348 850 HB3 SER 101 HB3 SER 101 6.084 -1.795 -17.854 851 HG SER 101 HG SER 101 5.999 -2.270 -20.225 852 H VAL 102 H VAL 102 2.982 -3.833 -17.493 853 HA VAL 102 HA VAL 102 4.422 -5.935 -18.845 854 HB VAL 102 HB VAL 102 2.093 -6.202 -16.935 855 HG11 VAL 102 HG11 VAL 102 2.513 -8.214 -18.255 856 HG12 VAL 102 HG12 VAL 102 2.950 -8.466 -16.566 857 HG13 VAL 102 HG13 VAL 102 4.209 -8.188 -17.769 858 HG21 VAL 102 HG21 VAL 102 3.802 -6.631 -15.214 859 HG22 VAL 102 HG22 VAL 102 3.866 -4.987 -15.850 860 HG23 VAL 102 HG23 VAL 102 5.052 -6.185 -16.376 861 H LEU 103 H LEU 103 3.734 -5.383 -20.983 862 HA LEU 103 HA LEU 103 0.949 -6.016 -21.619 863 HB2 LEU 103 HB2 LEU 103 3.161 -4.969 -23.395 864 HB3 LEU 103 HB3 LEU 103 1.488 -5.189 -23.870 865 HG LEU 103 HG LEU 103 2.460 -3.252 -21.765 866 HD11 LEU 103 HD11 LEU 103 1.893 -1.527 -23.391 867 HD12 LEU 103 HD12 LEU 103 1.466 -2.763 -24.573 868 HD13 LEU 103 HD13 LEU 103 3.134 -2.607 -24.023 869 HD21 LEU 103 HD21 LEU 103 0.160 -2.382 -21.854 870 HD22 LEU 103 HD22 LEU 103 0.220 -4.046 -21.279 871 HD23 LEU 103 HD23 LEU 103 -0.289 -3.704 -22.932 872 H GLU 104 H GLU 104 0.550 -8.105 -21.901 873 HA GLU 104 HA GLU 104 2.484 -10.081 -22.362 874 HB2 GLU 104 HB2 GLU 104 -0.492 -10.128 -22.870 875 HB3 GLU 104 HB3 GLU 104 0.544 -11.547 -22.904 876 HG2 GLU 104 HG2 GLU 104 1.062 -11.279 -20.571 877 HG3 GLU 104 HG3 GLU 104 0.151 -9.770 -20.509 878 H HIS 105 H HIS 105 0.233 -8.507 -24.596 879 HA HIS 105 HA HIS 105 1.257 -10.056 -26.819 880 HB2 HIS 105 HB2 HIS 105 -1.204 -9.081 -26.305 881 HB3 HIS 105 HB3 HIS 105 -0.577 -7.773 -27.301 882 HD1 HIS 105 HD1 HIS 105 -2.445 -10.730 -27.599 883 HD2 HIS 105 HD2 HIS 105 0.619 -9.029 -29.839 884 HE1 HIS 105 HE1 HIS 105 -2.594 -11.800 -29.871 885 HE2 HIS 105 HE2 HIS 105 -0.624 -10.890 -31.154 886 H HIS 106 H HIS 106 3.349 -9.393 -27.188 887 HA HIS 106 HA HIS 106 3.956 -6.583 -27.510 888 HB2 HIS 106 HB2 HIS 106 5.574 -9.106 -27.789 889 HB3 HIS 106 HB3 HIS 106 6.203 -7.557 -28.340 890 HD1 HIS 106 HD1 HIS 106 7.274 -6.095 -26.626 891 HD2 HIS 106 HD2 HIS 106 5.038 -9.163 -24.924 892 HE1 HIS 106 HE1 HIS 106 7.756 -5.999 -24.155 893 HE2 HIS 106 HE2 HIS 106 6.301 -7.791 -23.130 894 H HIS 107 H HIS 107 4.051 -5.470 -29.372 895 HA HIS 107 HA HIS 107 2.884 -6.621 -31.716 896 HB2 HIS 107 HB2 HIS 107 2.617 -4.225 -31.018 897 HB3 HIS 107 HB3 HIS 107 4.300 -3.957 -31.456 898 HD1 HIS 107 HD1 HIS 107 4.354 -2.717 -33.589 899 HD2 HIS 107 HD2 HIS 107 1.348 -5.596 -33.540 900 HE1 HIS 107 HE1 HIS 107 3.268 -2.610 -35.859 901 HE2 HIS 107 HE2 HIS 107 1.336 -4.227 -35.733 902 H HIS 108 H HIS 108 6.067 -6.348 -30.509 903 HA HIS 108 HA HIS 108 7.101 -7.764 -32.792 904 HB2 HIS 108 HB2 HIS 108 8.933 -6.210 -33.264 905 HB3 HIS 108 HB3 HIS 108 7.378 -5.437 -33.541 906 HD1 HIS 108 HD1 HIS 108 10.408 -5.285 -31.352 907 HD2 HIS 108 HD2 HIS 108 6.768 -3.318 -31.801 908 HE1 HIS 108 HE1 HIS 108 10.592 -3.192 -29.970 909 HE2 HIS 108 HE2 HIS 108 8.472 -1.916 -30.445 910 H HIS 109 H HIS 109 9.582 -8.100 -32.411 911 HA HIS 109 HA HIS 109 9.883 -8.971 -29.638 912 HB2 HIS 109 HB2 HIS 109 11.432 -9.553 -32.160 913 HB3 HIS 109 HB3 HIS 109 12.010 -10.039 -30.571 914 HD1 HIS 109 HD1 HIS 109 11.402 -12.339 -29.964 915 HD2 HIS 109 HD2 HIS 109 8.658 -10.677 -32.606 916 HE1 HIS 109 HE1 HIS 109 9.748 -14.163 -30.456 917 HE2 HIS 109 HE2 HIS 109 8.245 -13.202 -32.231 918 H HIS 110 H HIS 110 11.914 -8.568 -28.504 919 HA HIS 110 HA HIS 110 13.320 -6.150 -29.395 920 HB2 HIS 110 HB2 HIS 110 11.616 -5.514 -27.691 921 HB3 HIS 110 HB3 HIS 110 12.370 -6.626 -26.555 922 HD1 HIS 110 HD1 HIS 110 14.440 -5.825 -25.321 923 HD2 HIS 110 HD2 HIS 110 13.164 -3.182 -28.272 924 HE1 HIS 110 HE1 HIS 110 15.763 -3.717 -24.966 925 HE2 HIS 110 HE2 HIS 110 14.844 -2.077 -26.638 Start of MODEL 10 1 H1 MET 1 H1 MET 1 3.382 8.495 15.914 2 H2 MET 1 H2 MET 1 3.684 10.124 15.565 3 H3 MET 1 H3 MET 1 4.975 9.075 15.877 4 HA MET 1 HA MET 1 3.135 8.952 13.571 5 HB2 MET 1 HB2 MET 1 5.809 10.130 13.996 6 HB3 MET 1 HB3 MET 1 5.611 9.203 12.513 7 HG2 MET 1 HG2 MET 1 3.850 11.481 13.384 8 HG3 MET 1 HG3 MET 1 5.159 11.592 12.207 9 HE1 MET 1 HE1 MET 1 3.217 12.713 10.644 10 HE2 MET 1 HE2 MET 1 1.963 12.355 11.832 11 HE3 MET 1 HE3 MET 1 1.760 11.849 10.154 12 H ILE 2 H ILE 2 3.598 7.347 12.036 13 HA ILE 2 HA ILE 2 5.133 5.052 13.045 14 HB ILE 2 HB ILE 2 2.766 4.702 13.574 15 HG12 ILE 2 HG12 ILE 2 3.619 2.962 11.252 16 HG13 ILE 2 HG13 ILE 2 4.144 2.750 12.918 17 HG21 ILE 2 HG21 ILE 2 1.093 4.513 11.792 18 HG22 ILE 2 HG22 ILE 2 2.302 5.033 10.620 19 HG23 ILE 2 HG23 ILE 2 1.778 6.135 11.893 20 HD11 ILE 2 HD11 ILE 2 1.825 2.325 13.583 21 HD12 ILE 2 HD12 ILE 2 2.385 1.187 12.356 22 HD13 ILE 2 HD13 ILE 2 1.320 2.517 11.903 23 H THR 3 H THR 3 5.914 3.628 11.379 24 HA THR 3 HA THR 3 6.571 4.936 8.935 25 HB THR 3 HB THR 3 7.530 2.716 8.281 26 HG1 THR 3 HG1 THR 3 6.820 1.899 10.918 27 HG21 THR 3 HG21 THR 3 8.901 4.333 9.469 28 HG22 THR 3 HG22 THR 3 9.280 2.702 10.022 29 HG23 THR 3 HG23 THR 3 8.277 3.760 11.015 30 H PHE 4 H PHE 4 5.913 4.394 6.815 31 HA PHE 4 HA PHE 4 3.147 4.026 6.517 32 HB2 PHE 4 HB2 PHE 4 4.447 5.233 4.859 33 HB3 PHE 4 HB3 PHE 4 5.370 3.785 4.479 34 HD1 PHE 4 HD2 PHE 4 1.702 4.287 4.905 35 HD2 PHE 4 HD1 PHE 4 4.895 3.240 2.293 36 HE1 PHE 4 HE2 PHE 4 0.076 3.684 3.164 37 HE2 PHE 4 HE1 PHE 4 3.272 2.633 0.546 38 HZ PHE 4 HZ PHE 4 0.860 2.853 0.982 39 H ALA 5 H ALA 5 5.833 1.779 6.237 40 HA ALA 5 HA ALA 5 4.451 -0.386 5.119 41 HB1 ALA 5 HB1 ALA 5 6.841 -0.415 6.958 42 HB2 ALA 5 HB2 ALA 5 6.883 -0.280 5.200 43 HB3 ALA 5 HB3 ALA 5 6.296 -1.761 5.957 44 H ASP 6 H ASP 6 5.141 0.373 8.541 45 HA ASP 6 HA ASP 6 3.795 -1.945 9.499 46 HB2 ASP 6 HB2 ASP 6 5.618 -0.836 10.747 47 HB3 ASP 6 HB3 ASP 6 4.569 0.554 11.010 48 H TYR 7 H TYR 7 2.849 1.404 8.964 49 HA TYR 7 HA TYR 7 0.372 1.308 10.310 50 HB2 TYR 7 HB2 TYR 7 1.514 3.387 9.427 51 HB3 TYR 7 HB3 TYR 7 0.965 2.920 7.821 52 HD1 TYR 7 HD1 TYR 7 -0.192 3.887 11.199 53 HD2 TYR 7 HD2 TYR 7 -1.265 3.411 7.108 54 HE1 TYR 7 HE1 TYR 7 -2.305 5.057 11.627 55 HE2 TYR 7 HE2 TYR 7 -3.393 4.582 7.530 56 HH TYR 7 HH TYR 7 -4.907 5.066 9.472 57 H PHE 8 H PHE 8 1.313 0.573 6.988 58 HA PHE 8 HA PHE 8 -1.234 -0.051 5.986 59 HB2 PHE 8 HB2 PHE 8 0.754 0.307 4.565 60 HB3 PHE 8 HB3 PHE 8 1.464 -1.179 5.188 61 HD1 PHE 8 HD2 PHE 8 -1.351 0.175 3.207 62 HD2 PHE 8 HD1 PHE 8 0.939 -3.260 4.242 63 HE1 PHE 8 HE2 PHE 8 -2.438 -1.091 1.398 64 HE2 PHE 8 HE1 PHE 8 -0.144 -4.532 2.437 65 HZ PHE 8 HZ PHE 8 -1.834 -3.447 1.012 66 H TYR 9 H TYR 9 1.248 -2.052 7.517 67 HA TYR 9 HA TYR 9 -0.095 -4.516 7.236 68 HB2 TYR 9 HB2 TYR 9 2.346 -4.211 7.753 69 HB3 TYR 9 HB3 TYR 9 1.886 -3.759 9.392 70 HD1 TYR 9 HD2 TYR 9 2.068 -6.508 6.967 71 HD2 TYR 9 HD1 TYR 9 1.148 -5.428 10.977 72 HE1 TYR 9 HE2 TYR 9 2.075 -8.880 7.602 73 HE2 TYR 9 HE1 TYR 9 1.147 -7.797 11.623 74 HH TYR 9 HH TYR 9 2.304 -10.278 9.500 75 H GLN 10 H GLN 10 0.090 -2.215 9.935 76 HA GLN 10 HA GLN 10 -1.513 -3.599 11.766 77 HB2 GLN 10 HB2 GLN 10 -0.126 -1.565 12.243 78 HB3 GLN 10 HB3 GLN 10 -1.337 -0.597 11.415 79 HG2 GLN 10 HG2 GLN 10 -2.994 -1.570 13.102 80 HG3 GLN 10 HG3 GLN 10 -1.568 -2.076 14.007 81 HE21 GLN 10 HE21 GLN 10 -0.161 -0.480 14.824 82 HE22 GLN 10 HE22 GLN 10 -0.700 1.150 15.072 83 H TRP 11 H TRP 11 -2.369 -1.060 9.451 84 HA TRP 11 HA TRP 11 -5.090 -0.860 9.884 85 HB2 TRP 11 HB2 TRP 11 -3.997 0.721 8.480 86 HB3 TRP 11 HB3 TRP 11 -3.413 -0.533 7.397 87 HD1 TRP 11 HD1 TRP 11 -6.749 1.175 8.375 88 HE1 TRP 11 HE1 TRP 11 -8.294 1.115 6.315 89 HE3 TRP 11 HE3 TRP 11 -3.802 -1.577 5.236 90 HZ2 TRP 11 HZ2 TRP 11 -8.252 0.045 3.698 91 HZ3 TRP 11 HZ3 TRP 11 -4.623 -2.072 2.973 92 HH2 TRP 11 HH2 TRP 11 -6.806 -1.274 2.222 93 H TYR 12 H TYR 12 -3.364 -3.070 7.719 94 HA TYR 12 HA TYR 12 -5.658 -4.336 6.680 95 HB2 TYR 12 HB2 TYR 12 -3.726 -4.653 5.409 96 HB3 TYR 12 HB3 TYR 12 -2.750 -5.065 6.817 97 HD1 TYR 12 HD1 TYR 12 -5.850 -6.368 5.174 98 HD2 TYR 12 HD2 TYR 12 -2.071 -7.258 6.913 99 HE1 TYR 12 HE1 TYR 12 -6.226 -8.752 4.747 100 HE2 TYR 12 HE2 TYR 12 -2.433 -9.652 6.487 101 HH TYR 12 HH TYR 12 -4.208 -11.198 6.106 102 H GLU 13 H GLU 13 -3.388 -5.429 9.210 103 HA GLU 13 HA GLU 13 -4.610 -7.920 9.600 104 HB2 GLU 13 HB2 GLU 13 -2.310 -7.348 10.302 105 HB3 GLU 13 HB3 GLU 13 -2.970 -6.335 11.580 106 HG2 GLU 13 HG2 GLU 13 -4.091 -8.364 12.499 107 HG3 GLU 13 HG3 GLU 13 -3.212 -9.318 11.307 108 H VAL 14 H VAL 14 -5.185 -4.817 11.156 109 HA VAL 14 HA VAL 14 -6.771 -5.920 13.269 110 HB VAL 14 HB VAL 14 -6.429 -3.066 12.333 111 HG11 VAL 14 HG11 VAL 14 -7.348 -2.394 14.497 112 HG12 VAL 14 HG12 VAL 14 -7.685 -4.082 14.884 113 HG13 VAL 14 HG13 VAL 14 -8.532 -3.297 13.552 114 HG21 VAL 14 HG21 VAL 14 -4.375 -4.067 13.142 115 HG22 VAL 14 HG22 VAL 14 -5.187 -4.589 14.619 116 HG23 VAL 14 HG23 VAL 14 -4.966 -2.869 14.292 117 H ASN 15 H ASN 15 -7.476 -5.095 9.997 118 HA ASN 15 HA ASN 15 -10.333 -4.865 10.692 119 HB2 ASN 15 HB2 ASN 15 -8.861 -3.259 8.601 120 HB3 ASN 15 HB3 ASN 15 -10.605 -3.250 8.829 121 HD21 ASN 15 HD21 ASN 15 -7.570 -2.121 9.971 122 HD22 ASN 15 HD22 ASN 15 -8.185 -1.082 11.216 123 H LYS 16 H LYS 16 -8.146 -5.577 7.954 124 HA LYS 16 HA LYS 16 -10.394 -6.447 6.364 125 HB2 LYS 16 HB2 LYS 16 -7.456 -6.605 5.692 126 HB3 LYS 16 HB3 LYS 16 -8.804 -6.712 4.569 127 HG2 LYS 16 HG2 LYS 16 -8.026 -4.288 6.173 128 HG3 LYS 16 HG3 LYS 16 -7.726 -4.549 4.454 129 HD2 LYS 16 HD2 LYS 16 -10.079 -4.544 3.980 130 HD3 LYS 16 HD3 LYS 16 -10.472 -4.501 5.701 131 HE2 LYS 16 HE2 LYS 16 -9.353 -2.302 5.857 132 HE3 LYS 16 HE3 LYS 16 -9.078 -2.348 4.117 133 HZ1 LYS 16 HZ1 LYS 16 -11.056 -1.047 4.824 134 HZ2 LYS 16 HZ2 LYS 16 -11.770 -2.490 5.357 135 HZ3 LYS 16 HZ3 LYS 16 -11.405 -2.282 3.714 136 H LEU 17 H LEU 17 -8.425 -7.955 8.603 137 HA LEU 17 HA LEU 17 -7.537 -10.283 7.494 138 HB2 LEU 17 HB2 LEU 17 -7.045 -9.535 9.778 139 HB3 LEU 17 HB3 LEU 17 -8.671 -9.973 10.268 140 HG LEU 17 HG LEU 17 -8.171 -12.334 9.688 141 HD11 LEU 17 HD11 LEU 17 -6.431 -11.984 8.048 142 HD12 LEU 17 HD12 LEU 17 -5.814 -12.970 9.373 143 HD13 LEU 17 HD13 LEU 17 -5.386 -11.261 9.272 144 HD21 LEU 17 HD21 LEU 17 -6.312 -11.040 11.672 145 HD22 LEU 17 HD22 LEU 17 -6.738 -12.750 11.624 146 HD23 LEU 17 HD23 LEU 17 -7.976 -11.542 11.973 147 HA PRO 18 HA PRO 18 -11.522 -12.713 8.314 148 HB2 PRO 18 HB2 PRO 18 -13.758 -11.569 9.256 149 HB3 PRO 18 HB3 PRO 18 -12.429 -12.049 10.320 150 HG2 PRO 18 HG2 PRO 18 -13.149 -9.341 9.284 151 HG3 PRO 18 HG3 PRO 18 -12.581 -9.812 10.895 152 HD2 PRO 18 HD2 PRO 18 -10.986 -8.720 8.925 153 HD3 PRO 18 HD3 PRO 18 -10.390 -9.701 10.277 154 H HIS 19 H HIS 19 -11.234 -10.137 6.351 155 HA HIS 19 HA HIS 19 -13.713 -10.766 4.871 156 HB2 HIS 19 HB2 HIS 19 -12.225 -8.132 4.867 157 HB3 HIS 19 HB3 HIS 19 -13.711 -8.490 3.994 158 HD2 HIS 19 HD2 HIS 19 -12.519 -7.271 7.396 159 HE1 HIS 19 HE1 HIS 19 -16.679 -7.978 7.684 160 HE2 HIS 19 HE2 HIS 19 -14.687 -6.823 8.747 161 H VAL 20 H VAL 20 -10.482 -11.242 4.835 162 HA VAL 20 HA VAL 20 -10.307 -10.995 1.908 163 HB VAL 20 HB VAL 20 -7.879 -10.900 2.140 164 HG11 VAL 20 HG11 VAL 20 -7.709 -8.685 3.177 165 HG12 VAL 20 HG12 VAL 20 -9.310 -8.902 3.887 166 HG13 VAL 20 HG13 VAL 20 -9.126 -8.815 2.135 167 HG21 VAL 20 HG21 VAL 20 -6.833 -10.668 4.348 168 HG22 VAL 20 HG22 VAL 20 -7.615 -12.236 4.156 169 HG23 VAL 20 HG23 VAL 20 -8.394 -10.977 5.113 170 H SER 21 H SER 21 -9.122 -12.631 0.772 171 HA SER 21 HA SER 21 -9.356 -15.291 1.982 172 HB2 SER 21 HB2 SER 21 -9.065 -16.122 -0.312 173 HB3 SER 21 HB3 SER 21 -10.361 -14.926 -0.254 174 HG SER 21 HG SER 21 -8.927 -13.387 -1.090 175 H GLU 22 H GLU 22 -7.484 -16.811 1.110 176 HA GLU 22 HA GLU 22 -5.065 -15.881 2.246 177 HB2 GLU 22 HB2 GLU 22 -5.502 -18.216 0.382 178 HB3 GLU 22 HB3 GLU 22 -4.094 -17.963 1.405 179 HG2 GLU 22 HG2 GLU 22 -6.910 -18.457 2.311 180 HG3 GLU 22 HG3 GLU 22 -5.573 -19.600 2.371 181 H SER 23 H SER 23 -6.334 -16.012 -1.012 182 HA SER 23 HA SER 23 -3.974 -15.242 -2.366 183 HB2 SER 23 HB2 SER 23 -6.032 -16.191 -3.455 184 HB3 SER 23 HB3 SER 23 -6.834 -14.648 -3.167 185 HG SER 23 HG SER 23 -6.049 -14.384 -5.155 186 H THR 24 H THR 24 -6.706 -13.406 -1.021 187 HA THR 24 HA THR 24 -5.786 -10.843 -1.712 188 HB THR 24 HB THR 24 -7.356 -11.385 0.800 189 HG1 THR 24 HG1 THR 24 -8.838 -11.009 -1.501 190 HG21 THR 24 HG21 THR 24 -6.750 -9.074 0.359 191 HG22 THR 24 HG22 THR 24 -8.485 -9.295 0.135 192 HG23 THR 24 HG23 THR 24 -7.421 -9.188 -1.268 193 H LYS 25 H LYS 25 -5.248 -12.857 1.162 194 HA LYS 25 HA LYS 25 -3.719 -11.100 2.691 195 HB2 LYS 25 HB2 LYS 25 -3.498 -14.098 2.393 196 HB3 LYS 25 HB3 LYS 25 -2.612 -13.173 3.596 197 HG2 LYS 25 HG2 LYS 25 -4.719 -12.438 4.581 198 HG3 LYS 25 HG3 LYS 25 -5.606 -13.372 3.374 199 HD2 LYS 25 HD2 LYS 25 -4.642 -15.427 4.202 200 HD3 LYS 25 HD3 LYS 25 -3.634 -14.529 5.338 201 HE2 LYS 25 HE2 LYS 25 -5.567 -13.797 6.562 202 HE3 LYS 25 HE3 LYS 25 -6.648 -14.498 5.357 203 HZ1 LYS 25 HZ1 LYS 25 -6.415 -15.896 7.337 204 HZ2 LYS 25 HZ2 LYS 25 -4.753 -16.044 7.046 205 HZ3 LYS 25 HZ3 LYS 25 -5.872 -16.685 5.938 206 H ARG 26 H ARG 26 -2.643 -13.493 0.287 207 HA ARG 26 HA ARG 26 0.070 -12.826 0.345 208 HB2 ARG 26 HB2 ARG 26 -1.601 -13.955 -1.902 209 HB3 ARG 26 HB3 ARG 26 0.154 -13.829 -1.957 210 HG2 ARG 26 HG2 ARG 26 0.320 -15.258 0.018 211 HG3 ARG 26 HG3 ARG 26 -1.438 -15.391 0.066 212 HD2 ARG 26 HD2 ARG 26 -1.426 -16.471 -2.115 213 HD3 ARG 26 HD3 ARG 26 0.328 -16.302 -2.200 214 HE ARG 26 HE ARG 26 -0.196 -17.663 0.141 215 HH11 ARG 26 HH11 ARG 26 -0.762 -18.178 -3.270 216 HH12 ARG 26 HH12 ARG 26 -0.658 -19.903 -3.159 217 HH21 ARG 26 HH21 ARG 26 -0.073 -19.933 0.309 218 HH22 ARG 26 HH22 ARG 26 -0.268 -20.911 -1.115 219 H HIS 27 H HIS 27 -2.573 -11.335 -1.472 220 HA HIS 27 HA HIS 27 -1.052 -9.559 -3.016 221 HB2 HIS 27 HB2 HIS 27 -3.812 -9.399 -1.854 222 HB3 HIS 27 HB3 HIS 27 -3.117 -8.005 -2.666 223 HD2 HIS 27 HD2 HIS 27 -5.119 -11.073 -3.473 224 HE1 HIS 27 HE1 HIS 27 -3.455 -9.686 -7.108 225 HE2 HIS 27 HE2 HIS 27 -5.335 -11.023 -6.060 226 H TYR 28 H TYR 28 -2.443 -9.122 0.233 227 HA TYR 28 HA TYR 28 -1.401 -6.560 0.700 228 HB2 TYR 28 HB2 TYR 28 -2.378 -8.753 2.490 229 HB3 TYR 28 HB3 TYR 28 -1.616 -7.329 3.188 230 HD1 TYR 28 HD2 TYR 28 -2.665 -5.103 2.899 231 HD2 TYR 28 HD1 TYR 28 -4.598 -8.664 1.601 232 HE1 TYR 28 HE2 TYR 28 -4.807 -3.899 2.804 233 HE2 TYR 28 HE1 TYR 28 -6.743 -7.469 1.503 234 HH TYR 28 HH TYR 28 -6.969 -4.082 1.685 235 H GLU 29 H GLU 29 -0.094 -9.768 1.487 236 HA GLU 29 HA GLU 29 2.203 -8.885 2.836 237 HB2 GLU 29 HB2 GLU 29 1.695 -11.394 1.240 238 HB3 GLU 29 HB3 GLU 29 3.170 -11.119 2.156 239 HG2 GLU 29 HG2 GLU 29 1.835 -10.903 4.206 240 HG3 GLU 29 HG3 GLU 29 0.379 -11.249 3.272 241 H SER 30 H SER 30 1.676 -9.587 -0.603 242 HA SER 30 HA SER 30 4.303 -9.060 -1.458 243 HB2 SER 30 HB2 SER 30 1.703 -8.707 -2.979 244 HB3 SER 30 HB3 SER 30 3.311 -8.785 -3.701 245 HG SER 30 HG SER 30 1.830 -10.820 -2.411 246 H ALA 31 H ALA 31 1.466 -6.953 -1.173 247 HA ALA 31 HA ALA 31 2.632 -4.576 -2.070 248 HB1 ALA 31 HB1 ALA 31 0.876 -3.452 -0.772 249 HB2 ALA 31 HB2 ALA 31 0.518 -4.970 0.052 250 HB3 ALA 31 HB3 ALA 31 0.234 -4.819 -1.683 251 H TYR 32 H TYR 32 2.320 -5.857 1.216 252 HA TYR 32 HA TYR 32 3.589 -3.820 2.601 253 HB2 TYR 32 HB2 TYR 32 2.266 -5.532 3.690 254 HB3 TYR 32 HB3 TYR 32 3.414 -6.773 3.212 255 HD1 TYR 32 HD2 TYR 32 3.699 -3.447 4.914 256 HD2 TYR 32 HD1 TYR 32 4.575 -7.608 4.997 257 HE1 TYR 32 HE2 TYR 32 4.903 -3.146 7.035 258 HE2 TYR 32 HE1 TYR 32 5.781 -7.318 7.116 259 HH TYR 32 HH TYR 32 5.490 -4.699 9.066 260 H LYS 33 H LYS 33 5.024 -6.757 1.172 261 HA LYS 33 HA LYS 33 7.612 -6.192 2.231 262 HB2 LYS 33 HB2 LYS 33 8.411 -8.040 0.884 263 HB3 LYS 33 HB3 LYS 33 6.914 -8.482 1.686 264 HG2 LYS 33 HG2 LYS 33 5.707 -8.054 -0.427 265 HG3 LYS 33 HG3 LYS 33 7.259 -7.745 -1.210 266 HD2 LYS 33 HD2 LYS 33 8.001 -9.999 -0.682 267 HD3 LYS 33 HD3 LYS 33 6.494 -10.314 0.178 268 HE2 LYS 33 HE2 LYS 33 5.259 -9.943 -1.928 269 HE3 LYS 33 HE3 LYS 33 6.797 -9.738 -2.764 270 HZ1 LYS 33 HZ1 LYS 33 5.987 -12.195 -1.300 271 HZ2 LYS 33 HZ2 LYS 33 7.387 -11.990 -2.239 272 HZ3 LYS 33 HZ3 LYS 33 5.858 -11.986 -2.979 273 H HIS 34 H HIS 34 6.011 -5.392 -0.810 274 HA HIS 34 HA HIS 34 8.405 -4.339 -2.000 275 HB2 HIS 34 HB2 HIS 34 5.496 -4.244 -2.706 276 HB3 HIS 34 HB3 HIS 34 6.608 -3.127 -3.489 277 HD1 HIS 34 HD1 HIS 34 8.599 -4.298 -4.905 278 HD2 HIS 34 HD2 HIS 34 5.447 -6.753 -3.741 279 HE1 HIS 34 HE1 HIS 34 8.715 -6.356 -6.370 280 H ILE 35 H ILE 35 5.785 -3.065 -0.040 281 HA ILE 35 HA ILE 35 6.412 -0.334 -0.265 282 HB ILE 35 HB ILE 35 5.101 -1.880 1.969 283 HG12 ILE 35 HG12 ILE 35 4.014 0.064 -0.083 284 HG13 ILE 35 HG13 ILE 35 3.863 -1.689 -0.159 285 HG21 ILE 35 HG21 ILE 35 4.457 0.260 2.954 286 HG22 ILE 35 HG22 ILE 35 5.415 1.113 1.742 287 HG23 ILE 35 HG23 ILE 35 6.212 0.074 2.924 288 HD11 ILE 35 HD11 ILE 35 2.696 0.076 1.982 289 HD12 ILE 35 HD12 ILE 35 2.513 -1.675 1.858 290 HD13 ILE 35 HD13 ILE 35 1.817 -0.625 0.624 291 H LYS 36 H LYS 36 7.421 -2.717 2.204 292 HA LYS 36 HA LYS 36 9.142 -0.925 3.547 293 HB2 LYS 36 HB2 LYS 36 10.063 -2.874 4.677 294 HB3 LYS 36 HB3 LYS 36 8.311 -2.972 4.613 295 HG2 LYS 36 HG2 LYS 36 8.404 -4.610 2.878 296 HG3 LYS 36 HG3 LYS 36 10.147 -4.398 2.711 297 HD2 LYS 36 HD2 LYS 36 9.589 -6.428 3.980 298 HD3 LYS 36 HD3 LYS 36 10.498 -5.268 4.951 299 HE2 LYS 36 HE2 LYS 36 8.384 -4.498 5.958 300 HE3 LYS 36 HE3 LYS 36 7.515 -5.716 5.025 301 HZ1 LYS 36 HZ1 LYS 36 7.968 -6.426 7.308 302 HZ2 LYS 36 HZ2 LYS 36 9.635 -6.294 7.031 303 HZ3 LYS 36 HZ3 LYS 36 8.714 -7.442 6.177 304 H ASP 37 H ASP 37 9.552 -2.910 0.732 305 HA ASP 37 HA ASP 37 12.333 -2.956 0.519 306 HB2 ASP 37 HB2 ASP 37 10.984 -4.271 -0.985 307 HB3 ASP 37 HB3 ASP 37 10.194 -2.832 -1.616 308 H HIS 38 H HIS 38 10.009 -0.546 -0.654 309 HA HIS 38 HA HIS 38 12.159 1.208 -1.499 310 HB2 HIS 38 HB2 HIS 38 9.164 1.343 -1.694 311 HB3 HIS 38 HB3 HIS 38 10.151 2.765 -2.012 312 HD1 HIS 38 HD1 HIS 38 11.163 2.974 -4.278 313 HD2 HIS 38 HD2 HIS 38 9.692 -0.849 -3.541 314 HE1 HIS 38 HE1 HIS 38 11.302 1.756 -6.477 315 HE2 HIS 38 HE2 HIS 38 10.563 -0.605 -5.974 316 H PHE 39 H PHE 39 9.619 1.189 0.970 317 HA PHE 39 HA PHE 39 10.634 3.735 1.998 318 HB2 PHE 39 HB2 PHE 39 8.062 2.260 2.597 319 HB3 PHE 39 HB3 PHE 39 8.515 3.827 3.263 320 HD1 PHE 39 HD2 PHE 39 9.062 5.673 1.551 321 HD2 PHE 39 HD1 PHE 39 6.839 2.168 0.626 322 HE1 PHE 39 HE2 PHE 39 8.091 6.812 -0.391 323 HE2 PHE 39 HE1 PHE 39 5.868 3.297 -1.334 324 HZ PHE 39 HZ PHE 39 6.492 5.624 -1.844 325 H ARG 40 H ARG 40 12.509 2.321 2.708 326 HA ARG 40 HA ARG 40 12.184 0.650 4.987 327 HB2 ARG 40 HB2 ARG 40 14.622 2.083 3.920 328 HB3 ARG 40 HB3 ARG 40 14.651 0.863 5.184 329 HG2 ARG 40 HG2 ARG 40 13.839 -0.807 3.627 330 HG3 ARG 40 HG3 ARG 40 13.715 0.412 2.356 331 HD2 ARG 40 HD2 ARG 40 15.759 -0.963 2.177 332 HD3 ARG 40 HD3 ARG 40 16.102 0.753 2.390 333 HE ARG 40 HE ARG 40 16.115 -1.008 4.743 334 HH11 ARG 40 HH11 ARG 40 17.844 1.037 2.475 335 HH12 ARG 40 HH12 ARG 40 19.284 1.096 3.449 336 HH21 ARG 40 HH21 ARG 40 18.012 -0.929 6.004 337 HH22 ARG 40 HH22 ARG 40 19.399 -0.053 5.425 338 H HIS 41 H HIS 41 11.572 1.345 6.918 339 HA HIS 41 HA HIS 41 11.396 2.537 8.852 340 HB2 HIS 41 HB2 HIS 41 13.967 3.842 7.928 341 HB3 HIS 41 HB3 HIS 41 13.296 3.950 9.549 342 HD1 HIS 41 HD1 HIS 41 16.130 2.777 8.812 343 HD2 HIS 41 HD2 HIS 41 12.700 0.552 9.595 344 HE1 HIS 41 HE1 HIS 41 16.942 0.514 9.552 345 HE2 HIS 41 HE2 HIS 41 14.854 -0.846 9.946 346 H LYS 42 H LYS 42 10.369 3.616 6.227 347 HA LYS 42 HA LYS 42 10.667 6.491 6.584 348 HB2 LYS 42 HB2 LYS 42 11.058 5.471 4.368 349 HB3 LYS 42 HB3 LYS 42 9.389 4.928 4.334 350 HG2 LYS 42 HG2 LYS 42 8.567 7.025 3.926 351 HG3 LYS 42 HG3 LYS 42 9.947 7.833 4.678 352 HD2 LYS 42 HD2 LYS 42 10.328 6.220 2.187 353 HD3 LYS 42 HD3 LYS 42 9.663 7.849 2.078 354 HE2 LYS 42 HE2 LYS 42 12.046 7.932 1.742 355 HE3 LYS 42 HE3 LYS 42 11.649 8.701 3.275 356 HZ1 LYS 42 HZ1 LYS 42 12.222 6.467 4.300 357 HZ2 LYS 42 HZ2 LYS 42 13.505 7.397 3.712 358 HZ3 LYS 42 HZ3 LYS 42 12.935 6.077 2.811 359 H LEU 43 H LEU 43 9.277 7.532 7.780 360 HA LEU 43 HA LEU 43 6.778 6.618 8.674 361 HB2 LEU 43 HB2 LEU 43 7.765 9.460 8.374 362 HB3 LEU 43 HB3 LEU 43 6.389 8.962 9.336 363 HG LEU 43 HG LEU 43 9.201 8.019 9.882 364 HD11 LEU 43 HD11 LEU 43 7.685 10.299 11.148 365 HD12 LEU 43 HD12 LEU 43 9.092 10.451 10.094 366 HD13 LEU 43 HD13 LEU 43 9.251 9.677 11.671 367 HD21 LEU 43 HD21 LEU 43 7.437 6.602 10.781 368 HD22 LEU 43 HD22 LEU 43 6.675 8.005 11.531 369 HD23 LEU 43 HD23 LEU 43 8.263 7.466 12.078 370 H LEU 44 H LEU 44 4.648 7.153 8.007 371 HA LEU 44 HA LEU 44 4.368 7.171 5.182 372 HB2 LEU 44 HB2 LEU 44 2.055 6.925 5.493 373 HB3 LEU 44 HB3 LEU 44 2.804 6.056 6.815 374 HG LEU 44 HG LEU 44 1.642 8.830 7.072 375 HD11 LEU 44 HD11 LEU 44 0.434 6.166 7.797 376 HD12 LEU 44 HD12 LEU 44 -0.095 7.227 6.490 377 HD13 LEU 44 HD13 LEU 44 -0.250 7.750 8.167 378 HD21 LEU 44 HD21 LEU 44 1.740 8.364 9.471 379 HD22 LEU 44 HD22 LEU 44 3.342 8.304 8.737 380 HD23 LEU 44 HD23 LEU 44 2.500 6.807 9.137 381 H LYS 45 H LYS 45 4.672 9.688 7.428 382 HA LYS 45 HA LYS 45 3.285 11.689 5.923 383 HB2 LYS 45 HB2 LYS 45 4.507 13.283 7.448 384 HB3 LYS 45 HB3 LYS 45 3.510 12.090 8.260 385 HG2 LYS 45 HG2 LYS 45 5.447 12.157 9.540 386 HG3 LYS 45 HG3 LYS 45 5.673 10.735 8.525 387 HD2 LYS 45 HD2 LYS 45 7.729 12.002 8.621 388 HD3 LYS 45 HD3 LYS 45 7.060 12.086 6.991 389 HE2 LYS 45 HE2 LYS 45 7.816 14.273 7.553 390 HE3 LYS 45 HE3 LYS 45 6.054 14.298 7.618 391 HZ1 LYS 45 HZ1 LYS 45 6.906 15.450 9.501 392 HZ2 LYS 45 HZ2 LYS 45 7.924 14.163 9.923 393 HZ3 LYS 45 HZ3 LYS 45 6.238 13.996 10.058 394 H ASP 46 H ASP 46 6.235 10.091 5.569 395 HA ASP 46 HA ASP 46 7.529 12.313 4.178 396 HB2 ASP 46 HB2 ASP 46 8.734 10.807 5.866 397 HB3 ASP 46 HB3 ASP 46 8.675 9.555 4.631 398 H ILE 47 H ILE 47 5.430 9.845 3.498 399 HA ILE 47 HA ILE 47 6.438 9.236 0.851 400 HB ILE 47 HB ILE 47 3.936 8.396 2.319 401 HG12 ILE 47 HG12 ILE 47 4.867 6.109 1.842 402 HG13 ILE 47 HG13 ILE 47 6.309 6.889 1.207 403 HG21 ILE 47 HG21 ILE 47 3.306 7.066 0.356 404 HG22 ILE 47 HG22 ILE 47 4.625 7.802 -0.556 405 HG23 ILE 47 HG23 ILE 47 3.284 8.795 0.011 406 HD11 ILE 47 HD11 ILE 47 6.714 7.882 3.405 407 HD12 ILE 47 HD12 ILE 47 6.673 6.119 3.454 408 HD13 ILE 47 HD13 ILE 47 5.289 7.050 4.028 409 H LYS 48 H LYS 48 6.388 10.978 -0.446 410 HA LYS 48 HA LYS 48 3.907 12.498 -0.618 411 HB2 LYS 48 HB2 LYS 48 6.596 12.951 -1.932 412 HB3 LYS 48 HB3 LYS 48 5.184 13.976 -2.173 413 HG2 LYS 48 HG2 LYS 48 5.167 14.357 0.312 414 HG3 LYS 48 HG3 LYS 48 6.727 13.540 0.373 415 HD2 LYS 48 HD2 LYS 48 6.271 15.887 -1.440 416 HD3 LYS 48 HD3 LYS 48 6.677 16.115 0.258 417 HE2 LYS 48 HE2 LYS 48 8.716 16.236 -0.909 418 HE3 LYS 48 HE3 LYS 48 8.690 14.640 -0.164 419 HZ1 LYS 48 HZ1 LYS 48 7.909 15.152 -2.984 420 HZ2 LYS 48 HZ2 LYS 48 8.166 13.641 -2.244 421 HZ3 LYS 48 HZ3 LYS 48 9.470 14.692 -2.507 422 H ARG 49 H ARG 49 2.831 12.767 -2.620 423 HA ARG 49 HA ARG 49 2.207 10.344 -3.821 424 HB2 ARG 49 HB2 ARG 49 1.002 11.810 -5.523 425 HB3 ARG 49 HB3 ARG 49 0.552 12.001 -3.835 426 HG2 ARG 49 HG2 ARG 49 2.081 13.969 -3.732 427 HG3 ARG 49 HG3 ARG 49 2.297 13.817 -5.478 428 HD2 ARG 49 HD2 ARG 49 0.581 15.480 -4.884 429 HD3 ARG 49 HD3 ARG 49 -0.071 14.147 -5.836 430 HE ARG 49 HE ARG 49 -0.903 13.237 -3.666 431 HH11 ARG 49 HH11 ARG 49 -0.244 16.646 -4.017 432 HH12 ARG 49 HH12 ARG 49 -1.387 17.125 -2.798 433 HH21 ARG 49 HH21 ARG 49 -2.435 13.850 -2.092 434 HH22 ARG 49 HH22 ARG 49 -2.646 15.539 -1.710 435 H THR 50 H THR 50 4.653 12.621 -4.688 436 HA THR 50 HA THR 50 5.001 11.801 -7.378 437 HB THR 50 HB THR 50 7.296 12.883 -7.048 438 HG1 THR 50 HG1 THR 50 7.683 12.928 -4.912 439 HG21 THR 50 HG21 THR 50 5.407 14.042 -8.058 440 HG22 THR 50 HG22 THR 50 6.300 15.143 -7.009 441 HG23 THR 50 HG23 THR 50 4.775 14.444 -6.461 442 H GLU 51 H GLU 51 6.467 10.814 -4.313 443 HA GLU 51 HA GLU 51 8.259 8.940 -5.539 444 HB2 GLU 51 HB2 GLU 51 7.394 9.362 -2.676 445 HB3 GLU 51 HB3 GLU 51 8.499 8.083 -3.151 446 HG2 GLU 51 HG2 GLU 51 9.799 9.878 -2.335 447 HG3 GLU 51 HG3 GLU 51 10.006 9.836 -4.083 448 H TYR 52 H TYR 52 5.061 8.896 -4.177 449 HA TYR 52 HA TYR 52 4.641 6.137 -4.011 450 HB2 TYR 52 HB2 TYR 52 3.093 7.708 -3.014 451 HB3 TYR 52 HB3 TYR 52 2.699 8.382 -4.592 452 HD1 TYR 52 HD1 TYR 52 2.806 4.979 -3.044 453 HD2 TYR 52 HD2 TYR 52 0.629 7.785 -5.380 454 HE1 TYR 52 HE1 TYR 52 0.963 3.371 -3.249 455 HE2 TYR 52 HE2 TYR 52 -1.218 6.182 -5.595 456 HH TYR 52 HH TYR 52 -1.696 3.888 -5.415 457 H GLN 53 H GLN 53 4.253 8.391 -6.716 458 HA GLN 53 HA GLN 53 3.200 6.535 -8.551 459 HB2 GLN 53 HB2 GLN 53 3.146 8.952 -8.971 460 HB3 GLN 53 HB3 GLN 53 4.899 8.977 -9.104 461 HG2 GLN 53 HG2 GLN 53 3.893 9.014 -11.302 462 HG3 GLN 53 HG3 GLN 53 4.769 7.505 -11.055 463 HE21 GLN 53 HE21 GLN 53 3.616 5.576 -10.835 464 HE22 GLN 53 HE22 GLN 53 1.954 5.442 -11.304 465 H LYS 54 H LYS 54 6.510 7.350 -7.644 466 HA LYS 54 HA LYS 54 7.829 5.863 -9.648 467 HB2 LYS 54 HB2 LYS 54 8.765 6.451 -6.827 468 HB3 LYS 54 HB3 LYS 54 9.786 5.957 -8.171 469 HG2 LYS 54 HG2 LYS 54 9.321 8.019 -9.334 470 HG3 LYS 54 HG3 LYS 54 8.190 8.509 -8.070 471 HD2 LYS 54 HD2 LYS 54 10.056 8.461 -6.441 472 HD3 LYS 54 HD3 LYS 54 11.163 8.082 -7.762 473 HE2 LYS 54 HE2 LYS 54 9.467 10.568 -7.546 474 HE3 LYS 54 HE3 LYS 54 11.190 10.471 -7.189 475 HZ1 LYS 54 HZ1 LYS 54 11.568 9.814 -9.511 476 HZ2 LYS 54 HZ2 LYS 54 10.854 11.350 -9.386 477 HZ3 LYS 54 HZ3 LYS 54 9.913 10.014 -9.832 478 H PHE 55 H PHE 55 6.633 5.012 -6.437 479 HA PHE 55 HA PHE 55 7.584 2.370 -6.326 480 HB2 PHE 55 HB2 PHE 55 6.725 3.410 -4.335 481 HB3 PHE 55 HB3 PHE 55 5.156 3.677 -5.085 482 HD1 PHE 55 HD1 PHE 55 7.468 0.956 -4.039 483 HD2 PHE 55 HD2 PHE 55 3.450 2.147 -4.780 484 HE1 PHE 55 HE1 PHE 55 6.666 -1.189 -3.137 485 HE2 PHE 55 HE2 PHE 55 2.644 0.005 -3.883 486 HZ PHE 55 HZ PHE 55 4.255 -1.665 -3.058 487 H LEU 56 H LEU 56 4.435 3.644 -7.396 488 HA LEU 56 HA LEU 56 3.365 1.195 -8.263 489 HB2 LEU 56 HB2 LEU 56 2.807 4.002 -9.212 490 HB3 LEU 56 HB3 LEU 56 1.858 2.603 -9.669 491 HG LEU 56 HG LEU 56 2.156 3.690 -6.868 492 HD11 LEU 56 HD11 LEU 56 0.806 5.111 -8.318 493 HD12 LEU 56 HD12 LEU 56 -0.193 4.300 -7.112 494 HD13 LEU 56 HD13 LEU 56 -0.176 3.720 -8.778 495 HD21 LEU 56 HD21 LEU 56 0.424 2.058 -6.283 496 HD22 LEU 56 HD22 LEU 56 1.886 1.265 -6.870 497 HD23 LEU 56 HD23 LEU 56 0.480 1.413 -7.924 498 H ASN 57 H ASN 57 5.479 3.504 -9.801 499 HA ASN 57 HA ASN 57 5.214 2.724 -12.469 500 HB2 ASN 57 HB2 ASN 57 6.493 4.718 -11.410 501 HB3 ASN 57 HB3 ASN 57 7.840 3.593 -11.280 502 HD21 ASN 57 HD21 ASN 57 5.860 5.471 -13.390 503 HD22 ASN 57 HD22 ASN 57 6.808 5.248 -14.815 504 H GLU 58 H GLU 58 7.619 1.673 -10.052 505 HA GLU 58 HA GLU 58 8.854 -0.264 -11.696 506 HB2 GLU 58 HB2 GLU 58 9.960 0.632 -9.719 507 HB3 GLU 58 HB3 GLU 58 8.716 -0.048 -8.680 508 HG2 GLU 58 HG2 GLU 58 9.411 -2.295 -9.297 509 HG3 GLU 58 HG3 GLU 58 10.636 -1.632 -10.374 510 H TYR 59 H TYR 59 6.170 -0.430 -9.425 511 HA TYR 59 HA TYR 59 5.970 -3.264 -9.410 512 HB2 TYR 59 HB2 TYR 59 5.062 -1.646 -7.670 513 HB3 TYR 59 HB3 TYR 59 3.743 -1.319 -8.788 514 HD1 TYR 59 HD2 TYR 59 2.119 -3.098 -9.334 515 HD2 TYR 59 HD1 TYR 59 5.148 -3.676 -6.399 516 HE1 TYR 59 HE2 TYR 59 0.892 -5.036 -8.456 517 HE2 TYR 59 HE1 TYR 59 3.930 -5.620 -5.519 518 HH TYR 59 HH TYR 59 1.367 -6.357 -5.543 519 H GLY 60 H GLY 60 4.465 -0.713 -11.313 520 HA2 GLY 60 HA2 GLY 60 2.584 -2.457 -12.607 521 HA3 GLY 60 HA3 GLY 60 2.925 -0.785 -13.024 522 H LEU 61 H LEU 61 5.888 -1.783 -13.102 523 HA LEU 61 HA LEU 61 5.837 -2.471 -15.920 524 HB2 LEU 61 HB2 LEU 61 8.135 -2.037 -14.009 525 HB3 LEU 61 HB3 LEU 61 8.322 -2.379 -15.717 526 HG LEU 61 HG LEU 61 6.946 0.057 -14.583 527 HD11 LEU 61 HD11 LEU 61 9.324 0.107 -14.126 528 HD12 LEU 61 HD12 LEU 61 8.916 1.270 -15.390 529 HD13 LEU 61 HD13 LEU 61 9.678 -0.266 -15.813 530 HD21 LEU 61 HD21 LEU 61 6.086 -0.627 -16.770 531 HD22 LEU 61 HD22 LEU 61 7.728 -0.620 -17.413 532 HD23 LEU 61 HD23 LEU 61 6.990 0.884 -16.864 533 H THR 62 H THR 62 5.850 -4.103 -12.976 534 HA THR 62 HA THR 62 7.157 -6.464 -14.150 535 HB THR 62 HB THR 62 7.499 -7.126 -11.705 536 HG1 THR 62 HG1 THR 62 7.302 -4.355 -11.164 537 HG21 THR 62 HG21 THR 62 9.515 -5.743 -11.498 538 HG22 THR 62 HG22 THR 62 8.913 -4.679 -12.770 539 HG23 THR 62 HG23 THR 62 9.321 -6.355 -13.139 540 H HIS 63 H HIS 63 4.213 -5.260 -12.842 541 HA HIS 63 HA HIS 63 3.216 -8.014 -12.544 542 HB2 HIS 63 HB2 HIS 63 2.682 -5.615 -10.798 543 HB3 HIS 63 HB3 HIS 63 1.642 -7.035 -10.791 544 HD1 HIS 63 HD1 HIS 63 5.249 -6.075 -10.071 545 HD2 HIS 63 HD2 HIS 63 2.503 -9.089 -9.236 546 HE1 HIS 63 HE1 HIS 63 6.344 -7.532 -8.331 547 HE2 HIS 63 HE2 HIS 63 4.665 -9.356 -7.839 548 H SER 64 H SER 64 0.756 -8.052 -12.547 549 HA SER 64 HA SER 64 -0.114 -7.031 -15.057 550 HB2 SER 64 HB2 SER 64 -1.798 -8.336 -12.909 551 HB3 SER 64 HB3 SER 64 -2.124 -8.283 -14.643 552 HG SER 64 HG SER 64 -0.243 -9.565 -14.961 553 H TYR 65 H TYR 65 -2.261 -5.900 -15.270 554 HA TYR 65 HA TYR 65 -2.036 -3.362 -14.087 555 HB2 TYR 65 HB2 TYR 65 -3.028 -3.501 -16.254 556 HB3 TYR 65 HB3 TYR 65 -4.257 -4.631 -15.691 557 HD1 TYR 65 HD1 TYR 65 -3.066 -1.129 -15.225 558 HD2 TYR 65 HD2 TYR 65 -6.338 -3.839 -14.989 559 HE1 TYR 65 HE1 TYR 65 -4.574 0.745 -14.748 560 HE2 TYR 65 HE2 TYR 65 -7.860 -1.966 -14.511 561 HH TYR 65 HH TYR 65 -6.948 1.289 -14.934 562 H GLU 66 H GLU 66 -4.320 -6.021 -13.480 563 HA GLU 66 HA GLU 66 -5.832 -4.507 -11.605 564 HB2 GLU 66 HB2 GLU 66 -6.621 -6.546 -12.890 565 HB3 GLU 66 HB3 GLU 66 -5.709 -7.514 -11.739 566 HG2 GLU 66 HG2 GLU 66 -7.063 -6.799 -9.928 567 HG3 GLU 66 HG3 GLU 66 -7.838 -5.561 -10.920 568 H THR 67 H THR 67 -2.989 -6.490 -11.377 569 HA THR 67 HA THR 67 -2.955 -6.923 -8.604 570 HB THR 67 HB THR 67 -0.467 -6.495 -10.241 571 HG1 THR 67 HG1 THR 67 -0.826 -8.867 -10.697 572 HG21 THR 67 HG21 THR 67 -1.172 -8.436 -8.036 573 HG22 THR 67 HG22 THR 67 -0.209 -6.972 -7.846 574 HG23 THR 67 HG23 THR 67 0.396 -8.302 -8.834 575 H ILE 68 H ILE 68 -1.465 -4.343 -10.578 576 HA ILE 68 HA ILE 68 -0.595 -2.863 -8.289 577 HB ILE 68 HB ILE 68 0.625 -2.602 -10.360 578 HG12 ILE 68 HG12 ILE 68 -0.846 -0.069 -9.611 579 HG13 ILE 68 HG13 ILE 68 0.615 -0.687 -8.848 580 HG21 ILE 68 HG21 ILE 68 -0.343 -1.456 -12.310 581 HG22 ILE 68 HG22 ILE 68 -1.920 -1.485 -11.519 582 HG23 ILE 68 HG23 ILE 68 -1.129 -2.998 -11.965 583 HD11 ILE 68 HD11 ILE 68 1.840 -0.358 -10.928 584 HD12 ILE 68 HD12 ILE 68 1.104 1.143 -10.370 585 HD13 ILE 68 HD13 ILE 68 0.376 0.245 -11.703 586 H ARG 69 H ARG 69 -3.400 -2.806 -10.386 587 HA ARG 69 HA ARG 69 -4.627 -0.451 -9.551 588 HB2 ARG 69 HB2 ARG 69 -5.417 -1.800 -11.431 589 HB3 ARG 69 HB3 ARG 69 -5.879 -3.089 -10.333 590 HG2 ARG 69 HG2 ARG 69 -7.532 -1.578 -9.305 591 HG3 ARG 69 HG3 ARG 69 -7.108 -0.347 -10.499 592 HD2 ARG 69 HD2 ARG 69 -7.762 -1.876 -12.297 593 HD3 ARG 69 HD3 ARG 69 -8.198 -3.095 -11.102 594 HE ARG 69 HE ARG 69 -9.545 -0.539 -10.840 595 HH11 ARG 69 HH11 ARG 69 -9.672 -3.777 -12.192 596 HH12 ARG 69 HH12 ARG 69 -11.400 -3.773 -12.334 597 HH21 ARG 69 HH21 ARG 69 -11.795 -0.534 -11.034 598 HH22 ARG 69 HH22 ARG 69 -12.616 -1.929 -11.682 599 H LYS 70 H LYS 70 -4.938 -3.732 -8.237 600 HA LYS 70 HA LYS 70 -6.707 -2.986 -6.143 601 HB2 LYS 70 HB2 LYS 70 -6.343 -5.293 -7.205 602 HB3 LYS 70 HB3 LYS 70 -4.934 -5.421 -6.162 603 HG2 LYS 70 HG2 LYS 70 -6.259 -5.371 -4.207 604 HG3 LYS 70 HG3 LYS 70 -7.692 -4.872 -5.108 605 HD2 LYS 70 HD2 LYS 70 -6.279 -7.525 -5.413 606 HD3 LYS 70 HD3 LYS 70 -7.753 -7.262 -4.480 607 HE2 LYS 70 HE2 LYS 70 -8.853 -6.457 -6.564 608 HE3 LYS 70 HE3 LYS 70 -7.396 -6.900 -7.452 609 HZ1 LYS 70 HZ1 LYS 70 -8.995 -8.816 -5.843 610 HZ2 LYS 70 HZ2 LYS 70 -7.727 -9.182 -6.907 611 HZ3 LYS 70 HZ3 LYS 70 -9.196 -8.588 -7.511 612 H LEU 71 H LEU 71 -3.225 -3.399 -6.394 613 HA LEU 71 HA LEU 71 -2.444 -2.987 -3.762 614 HB2 LEU 71 HB2 LEU 71 -0.801 -3.575 -5.374 615 HB3 LEU 71 HB3 LEU 71 -1.201 -2.202 -6.389 616 HG LEU 71 HG LEU 71 -0.277 -0.698 -4.625 617 HD11 LEU 71 HD11 LEU 71 -0.526 -2.190 -2.718 618 HD12 LEU 71 HD12 LEU 71 1.141 -1.643 -2.897 619 HD13 LEU 71 HD13 LEU 71 0.686 -3.271 -3.400 620 HD21 LEU 71 HD21 LEU 71 1.594 -2.771 -5.753 621 HD22 LEU 71 HD22 LEU 71 2.070 -1.193 -5.124 622 HD23 LEU 71 HD23 LEU 71 1.050 -1.299 -6.559 623 H ASN 72 H ASN 72 -2.904 -0.559 -6.321 624 HA ASN 72 HA ASN 72 -2.495 1.738 -4.810 625 HB2 ASN 72 HB2 ASN 72 -2.654 1.793 -7.239 626 HB3 ASN 72 HB3 ASN 72 -4.341 1.301 -7.170 627 HD21 ASN 72 HD21 ASN 72 -5.900 2.790 -6.686 628 HD22 ASN 72 HD22 ASN 72 -5.592 4.486 -6.589 629 H SER 73 H SER 73 -5.424 -0.181 -5.255 630 HA SER 73 HA SER 73 -7.204 1.534 -3.919 631 HB2 SER 73 HB2 SER 73 -7.854 -0.413 -5.357 632 HB3 SER 73 HB3 SER 73 -7.344 -1.485 -4.056 633 HG SER 73 HG SER 73 -9.541 -1.160 -3.872 634 H TYR 74 H TYR 74 -5.178 -1.142 -2.734 635 HA TYR 74 HA TYR 74 -5.995 -1.100 -0.052 636 HB2 TYR 74 HB2 TYR 74 -3.246 -1.703 -1.162 637 HB3 TYR 74 HB3 TYR 74 -3.790 -2.091 0.463 638 HD1 TYR 74 HD1 TYR 74 -6.574 -3.080 -0.280 639 HD2 TYR 74 HD2 TYR 74 -2.732 -3.849 -1.937 640 HE1 TYR 74 HE1 TYR 74 -7.349 -5.282 -1.050 641 HE2 TYR 74 HE2 TYR 74 -3.496 -6.045 -2.718 642 HH TYR 74 HH TYR 74 -5.232 -7.696 -2.144 643 H ILE 75 H ILE 75 -3.279 0.544 -1.625 644 HA ILE 75 HA ILE 75 -2.343 1.835 0.696 645 HB ILE 75 HB ILE 75 -1.922 2.502 -2.216 646 HG12 ILE 75 HG12 ILE 75 -0.187 1.057 -0.199 647 HG13 ILE 75 HG13 ILE 75 -1.111 0.289 -1.484 648 HG21 ILE 75 HG21 ILE 75 -0.506 3.576 0.221 649 HG22 ILE 75 HG22 ILE 75 -1.505 4.492 -0.909 650 HG23 ILE 75 HG23 ILE 75 0.030 3.806 -1.443 651 HD11 ILE 75 HD11 ILE 75 1.160 2.220 -1.866 652 HD12 ILE 75 HD12 ILE 75 0.247 1.427 -3.150 653 HD13 ILE 75 HD13 ILE 75 1.243 0.469 -2.053 654 H ARG 76 H ARG 76 -4.505 2.971 -1.897 655 HA ARG 76 HA ARG 76 -4.661 5.623 -0.952 656 HB2 ARG 76 HB2 ARG 76 -6.391 5.978 -2.480 657 HB3 ARG 76 HB3 ARG 76 -5.430 4.715 -3.228 658 HG2 ARG 76 HG2 ARG 76 -7.025 3.055 -2.710 659 HG3 ARG 76 HG3 ARG 76 -7.882 4.124 -1.598 660 HD2 ARG 76 HD2 ARG 76 -7.779 4.232 -4.599 661 HD3 ARG 76 HD3 ARG 76 -9.191 4.071 -3.554 662 HE ARG 76 HE ARG 76 -7.887 6.497 -4.341 663 HH11 ARG 76 HH11 ARG 76 -9.860 5.023 -1.844 664 HH12 ARG 76 HH12 ARG 76 -10.467 6.542 -1.264 665 HH21 ARG 76 HH21 ARG 76 -8.689 8.493 -3.573 666 HH22 ARG 76 HH22 ARG 76 -9.796 8.510 -2.226 667 H ASN 77 H ASN 77 -6.463 2.712 -0.139 668 HA ASN 77 HA ASN 77 -8.465 4.073 1.379 669 HB2 ASN 77 HB2 ASN 77 -8.630 1.749 0.290 670 HB3 ASN 77 HB3 ASN 77 -7.746 1.166 1.700 671 HD21 ASN 77 HD21 ASN 77 -10.699 2.591 0.552 672 HD22 ASN 77 HD22 ASN 77 -11.651 2.248 1.962 673 H ALA 78 H ALA 78 -5.353 2.623 2.073 674 HA ALA 78 HA ALA 78 -5.487 2.717 4.885 675 HB1 ALA 78 HB1 ALA 78 -3.752 1.472 3.732 676 HB2 ALA 78 HB2 ALA 78 -3.028 2.661 4.814 677 HB3 ALA 78 HB3 ALA 78 -3.082 2.967 3.077 678 H PHE 79 H PHE 79 -4.413 5.092 2.484 679 HA PHE 79 HA PHE 79 -3.910 7.112 4.441 680 HB2 PHE 79 HB2 PHE 79 -4.086 7.111 1.448 681 HB3 PHE 79 HB3 PHE 79 -4.022 8.631 2.337 682 HD1 PHE 79 HD1 PHE 79 -2.060 9.150 3.745 683 HD2 PHE 79 HD2 PHE 79 -2.157 5.770 1.164 684 HE1 PHE 79 HE1 PHE 79 0.389 8.979 3.890 685 HE2 PHE 79 HE2 PHE 79 0.292 5.591 1.305 686 HZ PHE 79 HZ PHE 79 1.568 7.196 2.671 687 H ASP 80 H ASP 80 -6.685 6.134 2.533 688 HA ASP 80 HA ASP 80 -8.370 8.328 3.027 689 HB2 ASP 80 HB2 ASP 80 -8.871 6.454 1.448 690 HB3 ASP 80 HB3 ASP 80 -9.173 5.411 2.833 691 H ASP 81 H ASP 81 -7.496 5.543 4.950 692 HA ASP 81 HA ASP 81 -9.208 6.007 7.154 693 HB2 ASP 81 HB2 ASP 81 -7.998 3.886 6.796 694 HB3 ASP 81 HB3 ASP 81 -6.469 4.713 7.064 695 H ALA 82 H ALA 82 -5.871 6.966 6.472 696 HA ALA 82 HA ALA 82 -5.414 8.363 8.877 697 HB1 ALA 82 HB1 ALA 82 -3.453 9.265 7.759 698 HB2 ALA 82 HB2 ALA 82 -4.068 8.710 6.204 699 HB3 ALA 82 HB3 ALA 82 -3.620 7.539 7.442 700 H ILE 83 H ILE 83 -6.635 9.449 5.720 701 HA ILE 83 HA ILE 83 -6.567 12.222 6.410 702 HB ILE 83 HB ILE 83 -6.523 11.421 4.060 703 HG12 ILE 83 HG12 ILE 83 -8.793 13.290 4.759 704 HG13 ILE 83 HG13 ILE 83 -7.104 13.745 4.565 705 HG21 ILE 83 HG21 ILE 83 -8.143 9.640 4.162 706 HG22 ILE 83 HG22 ILE 83 -8.653 10.830 2.963 707 HG23 ILE 83 HG23 ILE 83 -9.427 10.784 4.550 708 HD11 ILE 83 HD11 ILE 83 -8.896 12.663 2.401 709 HD12 ILE 83 HD12 ILE 83 -7.207 13.135 2.209 710 HD13 ILE 83 HD13 ILE 83 -8.421 14.349 2.616 711 H HIS 84 H HIS 84 -8.961 9.673 6.644 712 HA HIS 84 HA HIS 84 -11.219 11.253 7.186 713 HB2 HIS 84 HB2 HIS 84 -11.160 8.759 6.700 714 HB3 HIS 84 HB3 HIS 84 -10.663 8.530 8.374 715 HD1 HIS 84 HD1 HIS 84 -12.477 8.669 10.171 716 HD2 HIS 84 HD2 HIS 84 -13.815 9.703 6.368 717 HE1 HIS 84 HE1 HIS 84 -14.983 8.809 10.345 718 HE2 HIS 84 HE2 HIS 84 -15.761 9.573 8.069 719 H GLU 85 H GLU 85 -8.520 10.255 9.085 720 HA GLU 85 HA GLU 85 -9.681 11.226 11.572 721 HB2 GLU 85 HB2 GLU 85 -8.287 9.193 11.576 722 HB3 GLU 85 HB3 GLU 85 -6.930 10.122 10.958 723 HG2 GLU 85 HG2 GLU 85 -6.583 9.823 13.277 724 HG3 GLU 85 HG3 GLU 85 -7.041 11.507 13.032 725 H GLY 86 H GLY 86 -7.027 11.985 9.365 726 HA2 GLY 86 HA2 GLY 86 -6.384 14.265 8.900 727 HA3 GLY 86 HA3 GLY 86 -6.889 14.691 10.534 728 H TYR 87 H TYR 87 -5.007 11.935 9.489 729 HA TYR 87 HA TYR 87 -3.105 12.429 11.614 730 HB2 TYR 87 HB2 TYR 87 -4.097 10.199 11.237 731 HB3 TYR 87 HB3 TYR 87 -3.350 10.143 9.649 732 HD1 TYR 87 HD2 TYR 87 -2.074 11.039 13.051 733 HD2 TYR 87 HD1 TYR 87 -1.690 8.575 9.609 734 HE1 TYR 87 HE2 TYR 87 -0.090 9.980 14.042 735 HE2 TYR 87 HE1 TYR 87 0.299 7.504 10.593 736 HH TYR 87 HH TYR 87 1.100 7.767 13.828 737 H VAL 88 H VAL 88 -3.045 12.041 8.085 738 HA VAL 88 HA VAL 88 -0.503 13.501 8.017 739 HB VAL 88 HB VAL 88 0.296 12.004 6.177 740 HG11 VAL 88 HG11 VAL 88 -0.159 10.635 8.823 741 HG12 VAL 88 HG12 VAL 88 1.131 11.784 8.466 742 HG13 VAL 88 HG13 VAL 88 1.081 10.229 7.636 743 HG21 VAL 88 HG21 VAL 88 -0.696 9.757 5.992 744 HG22 VAL 88 HG22 VAL 88 -1.815 11.027 5.498 745 HG23 VAL 88 HG23 VAL 88 -1.994 10.256 7.076 746 H ILE 89 H ILE 89 -0.186 13.231 5.201 747 HA ILE 89 HA ILE 89 -1.780 15.337 4.261 748 HB ILE 89 HB ILE 89 -0.959 14.688 1.983 749 HG12 ILE 89 HG12 ILE 89 0.579 12.575 3.511 750 HG13 ILE 89 HG13 ILE 89 -0.780 12.246 2.444 751 HG21 ILE 89 HG21 ILE 89 0.241 16.276 3.372 752 HG22 ILE 89 HG22 ILE 89 1.369 15.291 2.439 753 HG23 ILE 89 HG23 ILE 89 1.115 14.958 4.153 754 HD11 ILE 89 HD11 ILE 89 1.859 13.443 1.645 755 HD12 ILE 89 HD12 ILE 89 0.496 13.160 0.563 756 HD13 ILE 89 HD13 ILE 89 1.313 11.797 1.328 757 H LYS 90 H LYS 90 -3.074 15.162 2.195 758 HA LYS 90 HA LYS 90 -5.451 13.853 2.784 759 HB2 LYS 90 HB2 LYS 90 -4.535 14.824 0.072 760 HB3 LYS 90 HB3 LYS 90 -6.199 14.542 0.568 761 HG2 LYS 90 HG2 LYS 90 -4.331 16.626 1.694 762 HG3 LYS 90 HG3 LYS 90 -5.686 16.910 0.598 763 HD2 LYS 90 HD2 LYS 90 -7.248 16.124 2.282 764 HD3 LYS 90 HD3 LYS 90 -5.913 15.741 3.371 765 HE2 LYS 90 HE2 LYS 90 -5.293 18.122 3.413 766 HE3 LYS 90 HE3 LYS 90 -6.659 18.485 2.358 767 HZ1 LYS 90 HZ1 LYS 90 -7.253 18.936 4.627 768 HZ2 LYS 90 HZ2 LYS 90 -6.802 17.378 5.117 769 HZ3 LYS 90 HZ3 LYS 90 -8.139 17.589 4.093 770 H ASN 91 H ASN 91 -3.423 13.105 -0.064 771 HA ASN 91 HA ASN 91 -3.394 10.313 0.411 772 HB2 ASN 91 HB2 ASN 91 -5.842 11.088 -0.459 773 HB3 ASN 91 HB3 ASN 91 -5.039 10.806 -1.999 774 HD21 ASN 91 HD21 ASN 91 -6.297 9.394 0.872 775 HD22 ASN 91 HD22 ASN 91 -6.142 7.739 0.385 776 HA PRO 92 HA PRO 92 -0.230 10.968 -2.650 777 HB2 PRO 92 HB2 PRO 92 0.701 8.462 -2.836 778 HB3 PRO 92 HB3 PRO 92 0.951 9.440 -1.386 779 HG2 PRO 92 HG2 PRO 92 -1.057 7.282 -1.891 780 HG3 PRO 92 HG3 PRO 92 -0.081 7.589 -0.443 781 HD2 PRO 92 HD2 PRO 92 -2.703 8.354 -0.712 782 HD3 PRO 92 HD3 PRO 92 -1.538 9.164 0.352 783 H THR 93 H THR 93 -2.977 8.935 -3.129 784 HA THR 93 HA THR 93 -2.278 8.066 -5.776 785 HB THR 93 HB THR 93 -4.564 7.188 -5.885 786 HG1 THR 93 HG1 THR 93 -5.087 8.021 -3.247 787 HG21 THR 93 HG21 THR 93 -3.258 6.681 -3.208 788 HG22 THR 93 HG22 THR 93 -2.843 5.879 -4.724 789 HG23 THR 93 HG23 THR 93 -4.434 5.634 -4.001 790 H TYR 94 H TYR 94 -3.044 10.977 -4.599 791 HA TYR 94 HA TYR 94 -4.943 12.098 -6.304 792 HB2 TYR 94 HB2 TYR 94 -4.008 13.104 -4.227 793 HB3 TYR 94 HB3 TYR 94 -2.509 13.419 -5.090 794 HD1 TYR 94 HD2 TYR 94 -6.063 14.321 -4.828 795 HD2 TYR 94 HD1 TYR 94 -2.300 15.289 -6.563 796 HE1 TYR 94 HE2 TYR 94 -6.954 16.504 -5.514 797 HE2 TYR 94 HE1 TYR 94 -3.181 17.484 -7.246 798 HH TYR 94 HH TYR 94 -5.258 18.589 -7.663 799 H LYS 95 H LYS 95 -1.504 11.520 -6.734 800 HA LYS 95 HA LYS 95 -1.707 12.546 -9.489 801 HB2 LYS 95 HB2 LYS 95 0.617 12.657 -7.563 802 HB3 LYS 95 HB3 LYS 95 0.805 12.904 -9.288 803 HG2 LYS 95 HG2 LYS 95 -0.847 14.586 -7.424 804 HG3 LYS 95 HG3 LYS 95 0.709 15.018 -8.134 805 HD2 LYS 95 HD2 LYS 95 -0.336 14.797 -10.388 806 HD3 LYS 95 HD3 LYS 95 -1.892 14.564 -9.590 807 HE2 LYS 95 HE2 LYS 95 -1.670 16.760 -8.529 808 HE3 LYS 95 HE3 LYS 95 -0.120 16.991 -9.337 809 HZ1 LYS 95 HZ1 LYS 95 -1.788 18.127 -10.571 810 HZ2 LYS 95 HZ2 LYS 95 -2.790 16.762 -10.613 811 HZ3 LYS 95 HZ3 LYS 95 -1.328 16.769 -11.479 812 H ALA 96 H ALA 96 -2.254 9.853 -8.487 813 HA ALA 96 HA ALA 96 0.042 8.332 -9.490 814 HB1 ALA 96 HB1 ALA 96 -2.392 7.354 -8.016 815 HB2 ALA 96 HB2 ALA 96 -0.816 7.686 -7.292 816 HB3 ALA 96 HB3 ALA 96 -0.993 6.388 -8.477 817 H GLU 97 H GLU 97 -0.227 6.692 -11.011 818 HA GLU 97 HA GLU 97 -2.791 6.455 -12.361 819 HB2 GLU 97 HB2 GLU 97 -1.504 8.221 -13.553 820 HB3 GLU 97 HB3 GLU 97 -0.228 7.045 -13.851 821 HG2 GLU 97 HG2 GLU 97 -1.763 5.681 -15.127 822 HG3 GLU 97 HG3 GLU 97 -3.067 6.820 -14.801 823 H LEU 98 H LEU 98 -3.063 4.477 -13.415 824 HA LEU 98 HA LEU 98 -1.216 2.421 -12.427 825 HB2 LEU 98 HB2 LEU 98 -4.117 2.215 -13.234 826 HB3 LEU 98 HB3 LEU 98 -3.142 0.901 -12.603 827 HG LEU 98 HG LEU 98 -3.780 3.420 -11.081 828 HD11 LEU 98 HD11 LEU 98 -5.337 2.055 -9.798 829 HD12 LEU 98 HD12 LEU 98 -5.012 0.679 -10.853 830 HD13 LEU 98 HD13 LEU 98 -5.802 2.117 -11.499 831 HD21 LEU 98 HD21 LEU 98 -2.955 2.143 -9.157 832 HD22 LEU 98 HD22 LEU 98 -1.709 2.372 -10.385 833 HD23 LEU 98 HD23 LEU 98 -2.525 0.816 -10.237 834 H HIS 99 H HIS 99 -0.631 3.773 -14.906 835 HA HIS 99 HA HIS 99 -1.413 2.002 -17.033 836 HB2 HIS 99 HB2 HIS 99 0.150 4.488 -16.828 837 HB3 HIS 99 HB3 HIS 99 0.697 3.374 -18.077 838 HD1 HIS 99 HD1 HIS 99 -1.233 6.213 -17.908 839 HD2 HIS 99 HD2 HIS 99 -1.969 2.430 -19.477 840 HE1 HIS 99 HE1 HIS 99 -3.061 6.526 -19.610 841 HE2 HIS 99 HE2 HIS 99 -3.290 4.279 -20.722 842 H ALA 100 H ALA 100 -0.742 -0.028 -16.439 843 HA ALA 100 HA ALA 100 1.972 -0.648 -15.807 844 HB1 ALA 100 HB1 ALA 100 0.139 -2.083 -15.071 845 HB2 ALA 100 HB2 ALA 100 1.268 -2.987 -16.081 846 HB3 ALA 100 HB3 ALA 100 -0.270 -2.441 -16.749 847 H SER 101 H SER 101 3.553 -0.385 -17.242 848 HA SER 101 HA SER 101 3.018 -0.423 -20.084 849 HB2 SER 101 HB2 SER 101 5.611 0.042 -18.592 850 HB3 SER 101 HB3 SER 101 5.320 0.375 -20.299 851 HG SER 101 HG SER 101 3.885 1.983 -19.734 852 H VAL 102 H VAL 102 2.924 -2.937 -18.457 853 HA VAL 102 HA VAL 102 5.125 -4.568 -19.221 854 HB VAL 102 HB VAL 102 2.309 -5.414 -18.499 855 HG11 VAL 102 HG11 VAL 102 3.516 -7.186 -19.655 856 HG12 VAL 102 HG12 VAL 102 3.326 -7.582 -17.947 857 HG13 VAL 102 HG13 VAL 102 4.878 -7.000 -18.549 858 HG21 VAL 102 HG21 VAL 102 3.233 -5.821 -16.259 859 HG22 VAL 102 HG22 VAL 102 3.326 -4.120 -16.718 860 HG23 VAL 102 HG23 VAL 102 4.769 -5.130 -16.782 861 H LEU 103 H LEU 103 2.114 -3.659 -20.731 862 HA LEU 103 HA LEU 103 2.845 -5.270 -23.085 863 HB2 LEU 103 HB2 LEU 103 0.060 -4.581 -22.137 864 HB3 LEU 103 HB3 LEU 103 0.453 -5.488 -23.584 865 HG LEU 103 HG LEU 103 1.028 -6.389 -20.758 866 HD11 LEU 103 HD11 LEU 103 -1.363 -6.357 -21.285 867 HD12 LEU 103 HD12 LEU 103 -0.751 -8.003 -21.117 868 HD13 LEU 103 HD13 LEU 103 -1.057 -7.333 -22.720 869 HD21 LEU 103 HD21 LEU 103 1.370 -7.788 -23.411 870 HD22 LEU 103 HD22 LEU 103 1.543 -8.549 -21.829 871 HD23 LEU 103 HD23 LEU 103 2.656 -7.272 -22.320 872 H GLU 104 H GLU 104 2.383 -4.334 -25.136 873 HA GLU 104 HA GLU 104 2.574 -1.439 -25.060 874 HB2 GLU 104 HB2 GLU 104 4.120 -2.657 -26.497 875 HB3 GLU 104 HB3 GLU 104 2.777 -3.382 -27.367 876 HG2 GLU 104 HG2 GLU 104 3.815 -1.555 -28.615 877 HG3 GLU 104 HG3 GLU 104 2.128 -1.223 -28.237 878 H HIS 105 H HIS 105 1.022 -0.080 -25.539 879 HA HIS 105 HA HIS 105 -1.596 -1.152 -26.291 880 HB2 HIS 105 HB2 HIS 105 -1.502 0.207 -24.255 881 HB3 HIS 105 HB3 HIS 105 -0.793 1.539 -25.157 882 HD1 HIS 105 HD1 HIS 105 -2.366 3.116 -26.337 883 HD2 HIS 105 HD2 HIS 105 -4.278 -0.274 -24.857 884 HE1 HIS 105 HE1 HIS 105 -4.834 3.558 -26.584 885 HE2 HIS 105 HE2 HIS 105 -5.964 1.436 -25.824 886 H HIS 106 H HIS 106 1.026 0.746 -27.468 887 HA HIS 106 HA HIS 106 -0.576 1.979 -29.569 888 HB2 HIS 106 HB2 HIS 106 1.259 3.213 -28.342 889 HB3 HIS 106 HB3 HIS 106 2.414 2.159 -29.149 890 HD1 HIS 106 HD1 HIS 106 0.487 5.232 -29.576 891 HD2 HIS 106 HD2 HIS 106 2.470 2.535 -32.044 892 HE1 HIS 106 HE1 HIS 106 0.775 6.409 -31.777 893 HE2 HIS 106 HE2 HIS 106 2.119 4.822 -33.200 894 H HIS 107 H HIS 107 -1.166 0.423 -31.006 895 HA HIS 107 HA HIS 107 0.908 -1.394 -32.019 896 HB2 HIS 107 HB2 HIS 107 -2.104 -1.528 -32.119 897 HB3 HIS 107 HB3 HIS 107 -1.068 -2.620 -33.030 898 HD1 HIS 107 HD1 HIS 107 -2.735 -2.299 -29.860 899 HD2 HIS 107 HD2 HIS 107 0.731 -4.142 -31.225 900 HE1 HIS 107 HE1 HIS 107 -2.133 -3.997 -28.104 901 HE2 HIS 107 HE2 HIS 107 0.054 -4.990 -28.878 902 H HIS 108 H HIS 108 1.069 -1.810 -34.272 903 HA HIS 108 HA HIS 108 -0.310 -0.322 -36.235 904 HB2 HIS 108 HB2 HIS 108 1.547 1.093 -37.056 905 HB3 HIS 108 HB3 HIS 108 1.002 1.578 -35.458 906 HD1 HIS 108 HD1 HIS 108 3.996 0.889 -37.333 907 HD2 HIS 108 HD2 HIS 108 2.841 0.552 -33.346 908 HE1 HIS 108 HE1 HIS 108 6.128 0.761 -36.010 909 HE2 HIS 108 HE2 HIS 108 5.409 0.774 -33.597 910 H HIS 109 H HIS 109 0.013 -1.208 -38.234 911 HA HIS 109 HA HIS 109 1.573 -3.659 -38.239 912 HB2 HIS 109 HB2 HIS 109 -0.747 -3.645 -39.109 913 HB3 HIS 109 HB3 HIS 109 -0.247 -2.526 -40.373 914 HD1 HIS 109 HD1 HIS 109 -0.367 -3.861 -42.454 915 HD2 HIS 109 HD2 HIS 109 1.495 -5.948 -39.372 916 HE1 HIS 109 HE1 HIS 109 0.439 -6.012 -43.480 917 HE2 HIS 109 HE2 HIS 109 1.407 -7.335 -41.561 918 H HIS 110 H HIS 110 1.647 -0.474 -39.608 919 HA HIS 110 HA HIS 110 3.996 -1.166 -41.214 920 HB2 HIS 110 HB2 HIS 110 2.229 0.217 -42.276 921 HB3 HIS 110 HB3 HIS 110 2.495 1.460 -41.055 922 HD1 HIS 110 HD1 HIS 110 4.632 2.903 -41.267 923 HD2 HIS 110 HD2 HIS 110 4.217 0.036 -44.255 924 HE1 HIS 110 HE1 HIS 110 6.319 3.507 -43.029 925 HE2 HIS 110 HE2 HIS 110 6.147 1.688 -44.763 Start of MODEL 11 1 H1 MET 1 H1 MET 1 5.422 8.934 15.442 2 H2 MET 1 H2 MET 1 5.536 10.532 14.889 3 H3 MET 1 H3 MET 1 6.670 9.378 14.382 4 HA MET 1 HA MET 1 3.777 9.347 13.743 5 HB2 MET 1 HB2 MET 1 6.209 9.907 12.032 6 HB3 MET 1 HB3 MET 1 4.579 9.709 11.412 7 HG2 MET 1 HG2 MET 1 5.311 11.843 13.394 8 HG3 MET 1 HG3 MET 1 5.455 12.070 11.654 9 HE1 MET 1 HE1 MET 1 3.137 12.031 14.729 10 HE2 MET 1 HE2 MET 1 2.788 10.427 14.083 11 HE3 MET 1 HE3 MET 1 1.545 11.681 14.052 12 H ILE 2 H ILE 2 3.089 7.548 12.547 13 HA ILE 2 HA ILE 2 4.740 5.199 12.872 14 HB ILE 2 HB ILE 2 2.277 5.141 13.290 15 HG12 ILE 2 HG12 ILE 2 1.887 2.979 12.115 16 HG13 ILE 2 HG13 ILE 2 3.332 3.275 11.156 17 HG21 ILE 2 HG21 ILE 2 0.759 4.966 11.361 18 HG22 ILE 2 HG22 ILE 2 2.094 5.402 10.295 19 HG23 ILE 2 HG23 ILE 2 1.509 6.557 11.492 20 HD11 ILE 2 HD11 ILE 2 3.795 1.738 12.969 21 HD12 ILE 2 HD12 ILE 2 3.230 2.927 14.144 22 HD13 ILE 2 HD13 ILE 2 4.683 3.245 13.194 23 H THR 3 H THR 3 5.601 3.953 11.257 24 HA THR 3 HA THR 3 6.320 5.302 8.841 25 HB THR 3 HB THR 3 7.247 2.804 8.465 26 HG1 THR 3 HG1 THR 3 7.049 1.638 10.223 27 HG21 THR 3 HG21 THR 3 8.601 4.850 8.626 28 HG22 THR 3 HG22 THR 3 9.314 3.531 9.556 29 HG23 THR 3 HG23 THR 3 8.435 4.818 10.381 30 H PHE 4 H PHE 4 5.924 4.568 6.711 31 HA PHE 4 HA PHE 4 3.223 4.124 6.172 32 HB2 PHE 4 HB2 PHE 4 4.742 5.242 4.618 33 HB3 PHE 4 HB3 PHE 4 5.626 3.740 4.376 34 HD1 PHE 4 HD1 PHE 4 1.952 4.352 4.462 35 HD2 PHE 4 HD2 PHE 4 5.337 3.216 2.149 36 HE1 PHE 4 HE1 PHE 4 0.473 3.793 2.577 37 HE2 PHE 4 HE2 PHE 4 3.863 2.657 0.261 38 HZ PHE 4 HZ PHE 4 1.429 2.945 0.473 39 H ALA 5 H ALA 5 5.958 1.866 6.009 40 HA ALA 5 HA ALA 5 4.527 -0.334 5.009 41 HB1 ALA 5 HB1 ALA 5 6.967 -0.208 4.986 42 HB2 ALA 5 HB2 ALA 5 6.410 -1.684 5.776 43 HB3 ALA 5 HB3 ALA 5 6.993 -0.330 6.745 44 H ASP 6 H ASP 6 5.389 0.525 8.344 45 HA ASP 6 HA ASP 6 4.188 -1.681 9.594 46 HB2 ASP 6 HB2 ASP 6 4.734 1.098 10.653 47 HB3 ASP 6 HB3 ASP 6 4.230 -0.261 11.653 48 H TYR 7 H TYR 7 2.959 1.574 8.915 49 HA TYR 7 HA TYR 7 0.473 1.271 10.189 50 HB2 TYR 7 HB2 TYR 7 1.367 3.464 9.461 51 HB3 TYR 7 HB3 TYR 7 1.128 2.992 7.783 52 HD1 TYR 7 HD1 TYR 7 -0.528 4.029 10.879 53 HD2 TYR 7 HD2 TYR 7 -1.109 2.931 6.810 54 HE1 TYR 7 HE1 TYR 7 -2.818 4.914 10.971 55 HE2 TYR 7 HE2 TYR 7 -3.403 3.810 6.894 56 HH TYR 7 HH TYR 7 -5.115 4.351 8.454 57 H PHE 8 H PHE 8 1.468 0.695 6.833 58 HA PHE 8 HA PHE 8 -1.045 0.194 5.753 59 HB2 PHE 8 HB2 PHE 8 0.934 0.532 4.363 60 HB3 PHE 8 HB3 PHE 8 1.623 -0.981 4.944 61 HD1 PHE 8 HD1 PHE 8 -1.207 0.443 3.018 62 HD2 PHE 8 HD2 PHE 8 1.114 -3.015 3.906 63 HE1 PHE 8 HE1 PHE 8 -2.309 -0.766 1.180 64 HE2 PHE 8 HE2 PHE 8 0.013 -4.229 2.070 65 HZ PHE 8 HZ PHE 8 -1.700 -3.103 0.703 66 H TYR 9 H TYR 9 1.313 -2.181 7.034 67 HA TYR 9 HA TYR 9 -0.458 -4.349 6.498 68 HB2 TYR 9 HB2 TYR 9 2.046 -4.570 6.643 69 HB3 TYR 9 HB3 TYR 9 1.888 -4.431 8.394 70 HD1 TYR 9 HD1 TYR 9 1.165 -6.523 5.472 71 HD2 TYR 9 HD2 TYR 9 0.964 -6.239 9.707 72 HE1 TYR 9 HE1 TYR 9 0.643 -8.919 5.595 73 HE2 TYR 9 HE2 TYR 9 0.440 -8.632 9.852 74 HH TYR 9 HH TYR 9 0.630 -10.719 7.043 75 H GLN 10 H GLN 10 0.279 -2.449 9.387 76 HA GLN 10 HA GLN 10 -1.180 -4.046 11.201 77 HB2 GLN 10 HB2 GLN 10 0.414 -2.331 11.939 78 HB3 GLN 10 HB3 GLN 10 -0.613 -1.072 11.267 79 HG2 GLN 10 HG2 GLN 10 -2.368 -1.657 12.873 80 HG3 GLN 10 HG3 GLN 10 -1.318 -2.900 13.552 81 HE21 GLN 10 HE21 GLN 10 -1.848 0.525 13.194 82 HE22 GLN 10 HE22 GLN 10 -0.749 1.021 14.448 83 H TRP 11 H TRP 11 -2.062 -1.201 9.299 84 HA TRP 11 HA TRP 11 -4.727 -0.895 9.954 85 HB2 TRP 11 HB2 TRP 11 -3.618 0.685 8.534 86 HB3 TRP 11 HB3 TRP 11 -3.241 -0.554 7.349 87 HD1 TRP 11 HD1 TRP 11 -6.279 1.438 8.672 88 HE1 TRP 11 HE1 TRP 11 -8.010 1.601 6.767 89 HE3 TRP 11 HE3 TRP 11 -3.965 -1.564 5.232 90 HZ2 TRP 11 HZ2 TRP 11 -8.334 0.574 4.146 91 HZ3 TRP 11 HZ3 TRP 11 -5.053 -1.921 3.054 92 HH2 TRP 11 HH2 TRP 11 -7.193 -0.874 2.526 93 H TYR 12 H TYR 12 -3.265 -3.028 7.551 94 HA TYR 12 HA TYR 12 -5.654 -4.267 6.710 95 HB2 TYR 12 HB2 TYR 12 -3.808 -4.464 5.272 96 HB3 TYR 12 HB3 TYR 12 -2.741 -4.989 6.567 97 HD1 TYR 12 HD2 TYR 12 -5.957 -6.171 5.040 98 HD2 TYR 12 HD1 TYR 12 -2.060 -7.166 6.425 99 HE1 TYR 12 HE2 TYR 12 -6.341 -8.520 4.419 100 HE2 TYR 12 HE1 TYR 12 -2.433 -9.514 5.808 101 HH TYR 12 HH TYR 12 -4.429 -11.025 5.497 102 H GLU 13 H GLU 13 -3.205 -5.241 9.098 103 HA GLU 13 HA GLU 13 -4.242 -7.744 9.739 104 HB2 GLU 13 HB2 GLU 13 -2.024 -7.089 10.439 105 HB3 GLU 13 HB3 GLU 13 -2.676 -5.809 11.453 106 HG2 GLU 13 HG2 GLU 13 -3.739 -7.472 12.883 107 HG3 GLU 13 HG3 GLU 13 -3.107 -8.760 11.861 108 H VAL 14 H VAL 14 -4.903 -4.609 11.274 109 HA VAL 14 HA VAL 14 -6.539 -5.670 13.325 110 HB VAL 14 HB VAL 14 -6.433 -2.862 12.198 111 HG11 VAL 14 HG11 VAL 14 -7.411 -2.179 14.361 112 HG12 VAL 14 HG12 VAL 14 -7.639 -3.879 14.773 113 HG13 VAL 14 HG13 VAL 14 -8.507 -3.177 13.406 114 HG21 VAL 14 HG21 VAL 14 -4.982 -2.386 14.103 115 HG22 VAL 14 HG22 VAL 14 -4.294 -3.653 13.087 116 HG23 VAL 14 HG23 VAL 14 -5.080 -4.072 14.610 117 H ASN 15 H ASN 15 -7.192 -4.909 9.995 118 HA ASN 15 HA ASN 15 -10.073 -4.822 10.603 119 HB2 ASN 15 HB2 ASN 15 -8.533 -3.471 8.388 120 HB3 ASN 15 HB3 ASN 15 -10.290 -3.560 8.429 121 HD21 ASN 15 HD21 ASN 15 -7.456 -2.147 9.824 122 HD22 ASN 15 HD22 ASN 15 -8.268 -0.952 10.787 123 H LYS 16 H LYS 16 -8.020 -5.644 7.767 124 HA LYS 16 HA LYS 16 -10.228 -7.262 6.777 125 HB2 LYS 16 HB2 LYS 16 -7.606 -6.486 5.492 126 HB3 LYS 16 HB3 LYS 16 -8.833 -7.470 4.713 127 HG2 LYS 16 HG2 LYS 16 -9.191 -5.355 3.847 128 HG3 LYS 16 HG3 LYS 16 -10.403 -5.482 5.120 129 HD2 LYS 16 HD2 LYS 16 -8.991 -4.195 6.624 130 HD3 LYS 16 HD3 LYS 16 -7.721 -4.127 5.401 131 HE2 LYS 16 HE2 LYS 16 -8.996 -2.043 5.482 132 HE3 LYS 16 HE3 LYS 16 -9.179 -2.856 3.930 133 HZ1 LYS 16 HZ1 LYS 16 -11.340 -3.591 4.525 134 HZ2 LYS 16 HZ2 LYS 16 -11.267 -1.936 4.897 135 HZ3 LYS 16 HZ3 LYS 16 -11.154 -3.089 6.133 136 H LEU 17 H LEU 17 -7.164 -7.727 8.272 137 HA LEU 17 HA LEU 17 -6.069 -9.922 7.145 138 HB2 LEU 17 HB2 LEU 17 -5.080 -8.704 9.007 139 HB3 LEU 17 HB3 LEU 17 -6.253 -9.409 10.102 140 HG LEU 17 HG LEU 17 -5.275 -11.681 9.323 141 HD11 LEU 17 HD11 LEU 17 -3.040 -9.805 8.581 142 HD12 LEU 17 HD12 LEU 17 -3.966 -10.817 7.473 143 HD13 LEU 17 HD13 LEU 17 -2.919 -11.561 8.681 144 HD21 LEU 17 HD21 LEU 17 -3.548 -11.544 11.052 145 HD22 LEU 17 HD22 LEU 17 -5.060 -10.799 11.572 146 HD23 LEU 17 HD23 LEU 17 -3.706 -9.787 11.064 147 HA PRO 18 HA PRO 18 -8.377 -13.179 9.574 148 HB2 PRO 18 HB2 PRO 18 -10.226 -12.434 11.495 149 HB3 PRO 18 HB3 PRO 18 -8.513 -12.725 11.787 150 HG2 PRO 18 HG2 PRO 18 -9.937 -10.245 11.935 151 HG3 PRO 18 HG3 PRO 18 -8.218 -10.538 12.234 152 HD2 PRO 18 HD2 PRO 18 -9.548 -9.452 9.845 153 HD3 PRO 18 HD3 PRO 18 -7.858 -9.298 10.364 154 H HIS 19 H HIS 19 -9.869 -11.130 7.649 155 HA HIS 19 HA HIS 19 -12.385 -12.668 7.644 156 HB2 HIS 19 HB2 HIS 19 -12.056 -9.750 6.898 157 HB3 HIS 19 HB3 HIS 19 -13.555 -10.670 6.827 158 HD2 HIS 19 HD2 HIS 19 -11.295 -8.865 9.366 159 HE1 HIS 19 HE1 HIS 19 -14.628 -10.441 11.439 160 HE2 HIS 19 HE2 HIS 19 -12.425 -9.216 11.682 161 H VAL 20 H VAL 20 -9.585 -12.235 6.079 162 HA VAL 20 HA VAL 20 -10.819 -12.710 3.450 163 HB VAL 20 HB VAL 20 -8.953 -11.671 2.352 164 HG11 VAL 20 HG11 VAL 20 -10.741 -10.180 3.038 165 HG12 VAL 20 HG12 VAL 20 -9.187 -9.348 3.118 166 HG13 VAL 20 HG13 VAL 20 -9.959 -9.923 4.599 167 HG21 VAL 20 HG21 VAL 20 -7.779 -11.246 5.098 168 HG22 VAL 20 HG22 VAL 20 -7.127 -10.590 3.596 169 HG23 VAL 20 HG23 VAL 20 -7.169 -12.336 3.854 170 H SER 21 H SER 21 -9.743 -14.210 2.085 171 HA SER 21 HA SER 21 -8.319 -16.281 3.562 172 HB2 SER 21 HB2 SER 21 -9.331 -16.350 0.712 173 HB3 SER 21 HB3 SER 21 -8.859 -17.726 1.709 174 HG SER 21 HG SER 21 -10.631 -16.912 3.169 175 H GLU 22 H GLU 22 -6.631 -17.479 2.051 176 HA GLU 22 HA GLU 22 -4.357 -15.970 1.734 177 HB2 GLU 22 HB2 GLU 22 -5.262 -18.478 0.346 178 HB3 GLU 22 HB3 GLU 22 -3.683 -17.775 0.034 179 HG2 GLU 22 HG2 GLU 22 -4.649 -18.570 2.762 180 HG3 GLU 22 HG3 GLU 22 -3.715 -19.623 1.703 181 H SER 23 H SER 23 -6.905 -16.539 -0.636 182 HA SER 23 HA SER 23 -5.781 -15.559 -2.938 183 HB2 SER 23 HB2 SER 23 -8.611 -15.002 -2.032 184 HB3 SER 23 HB3 SER 23 -8.028 -15.138 -3.692 185 HG SER 23 HG SER 23 -8.218 -17.219 -3.563 186 H THR 24 H THR 24 -7.475 -13.673 -0.441 187 HA THR 24 HA THR 24 -6.892 -11.170 -1.717 188 HB THR 24 HB THR 24 -7.822 -11.529 1.131 189 HG1 THR 24 HG1 THR 24 -9.992 -11.440 0.065 190 HG21 THR 24 HG21 THR 24 -8.337 -9.420 -0.971 191 HG22 THR 24 HG22 THR 24 -7.309 -9.248 0.452 192 HG23 THR 24 HG23 THR 24 -9.052 -9.443 0.642 193 H LYS 25 H LYS 25 -5.549 -13.123 0.874 194 HA LYS 25 HA LYS 25 -3.863 -11.184 2.018 195 HB2 LYS 25 HB2 LYS 25 -3.599 -14.184 1.897 196 HB3 LYS 25 HB3 LYS 25 -2.521 -13.151 2.822 197 HG2 LYS 25 HG2 LYS 25 -4.642 -12.293 3.970 198 HG3 LYS 25 HG3 LYS 25 -5.426 -13.709 3.268 199 HD2 LYS 25 HD2 LYS 25 -4.775 -14.408 5.405 200 HD3 LYS 25 HD3 LYS 25 -3.537 -15.065 4.336 201 HE2 LYS 25 HE2 LYS 25 -3.276 -12.505 5.919 202 HE3 LYS 25 HE3 LYS 25 -2.617 -14.062 6.410 203 HZ1 LYS 25 HZ1 LYS 25 -1.872 -12.577 3.953 204 HZ2 LYS 25 HZ2 LYS 25 -1.229 -14.064 4.435 205 HZ3 LYS 25 HZ3 LYS 25 -0.938 -12.671 5.357 206 H ARG 26 H ARG 26 -3.347 -13.445 -0.665 207 HA ARG 26 HA ARG 26 -0.612 -13.150 -0.995 208 HB2 ARG 26 HB2 ARG 26 -2.780 -13.602 -3.038 209 HB3 ARG 26 HB3 ARG 26 -1.070 -13.633 -3.444 210 HG2 ARG 26 HG2 ARG 26 -0.719 -15.489 -1.916 211 HG3 ARG 26 HG3 ARG 26 -2.423 -15.442 -1.451 212 HD2 ARG 26 HD2 ARG 26 -3.069 -15.951 -3.749 213 HD3 ARG 26 HD3 ARG 26 -1.375 -15.960 -4.230 214 HE ARG 26 HE ARG 26 -1.638 -17.822 -2.183 215 HH11 ARG 26 HH11 ARG 26 -2.872 -17.324 -5.418 216 HH12 ARG 26 HH12 ARG 26 -3.026 -19.019 -5.772 217 HH21 ARG 26 HH21 ARG 26 -1.853 -20.079 -2.637 218 HH22 ARG 26 HH22 ARG 26 -2.467 -20.578 -4.189 219 H HIS 27 H HIS 27 -3.214 -11.053 -2.109 220 HA HIS 27 HA HIS 27 -1.510 -9.356 -3.645 221 HB2 HIS 27 HB2 HIS 27 -4.304 -8.956 -2.570 222 HB3 HIS 27 HB3 HIS 27 -3.476 -7.774 -3.579 223 HD2 HIS 27 HD2 HIS 27 -5.590 -10.918 -3.892 224 HE1 HIS 27 HE1 HIS 27 -3.996 -10.077 -7.718 225 HE2 HIS 27 HE2 HIS 27 -5.812 -11.311 -6.452 226 H TYR 28 H TYR 28 -2.913 -9.165 -0.386 227 HA TYR 28 HA TYR 28 -1.827 -6.632 0.248 228 HB2 TYR 28 HB2 TYR 28 -2.938 -8.882 1.882 229 HB3 TYR 28 HB3 TYR 28 -2.121 -7.544 2.681 230 HD1 TYR 28 HD2 TYR 28 -3.010 -5.217 2.376 231 HD2 TYR 28 HD1 TYR 28 -5.153 -8.660 1.090 232 HE1 TYR 28 HE2 TYR 28 -5.084 -3.896 2.314 233 HE2 TYR 28 HE1 TYR 28 -7.230 -7.347 1.023 234 HH TYR 28 HH TYR 28 -7.297 -3.988 1.159 235 H GLU 29 H GLU 29 -0.633 -9.918 0.865 236 HA GLU 29 HA GLU 29 1.660 -9.193 2.322 237 HB2 GLU 29 HB2 GLU 29 1.208 -11.574 0.509 238 HB3 GLU 29 HB3 GLU 29 2.548 -11.413 1.632 239 HG2 GLU 29 HG2 GLU 29 -0.351 -11.454 2.435 240 HG3 GLU 29 HG3 GLU 29 0.713 -12.857 2.448 241 H SER 30 H SER 30 1.131 -9.627 -1.157 242 HA SER 30 HA SER 30 3.819 -9.130 -1.915 243 HB2 SER 30 HB2 SER 30 2.073 -10.271 -3.339 244 HB3 SER 30 HB3 SER 30 1.358 -8.684 -3.616 245 HG SER 30 HG SER 30 3.727 -8.201 -4.246 246 H ALA 31 H ALA 31 0.977 -7.085 -1.496 247 HA ALA 31 HA ALA 31 2.085 -4.686 -2.456 248 HB1 ALA 31 HB1 ALA 31 0.344 -3.580 -1.141 249 HB2 ALA 31 HB2 ALA 31 0.030 -5.086 -0.279 250 HB3 ALA 31 HB3 ALA 31 -0.307 -4.974 -2.008 251 H TYR 32 H TYR 32 1.910 -6.035 0.816 252 HA TYR 32 HA TYR 32 3.251 -3.936 2.102 253 HB2 TYR 32 HB2 TYR 32 1.889 -5.455 3.367 254 HB3 TYR 32 HB3 TYR 32 2.871 -6.829 2.878 255 HD1 TYR 32 HD1 TYR 32 3.736 -3.471 4.295 256 HD2 TYR 32 HD2 TYR 32 3.952 -7.699 4.716 257 HE1 TYR 32 HE1 TYR 32 5.135 -3.192 6.296 258 HE2 TYR 32 HE2 TYR 32 5.355 -7.432 6.717 259 HH TYR 32 HH TYR 32 5.966 -4.275 8.138 260 H LYS 33 H LYS 33 4.502 -6.970 0.690 261 HA LYS 33 HA LYS 33 7.092 -6.674 1.771 262 HB2 LYS 33 HB2 LYS 33 7.830 -8.351 0.187 263 HB3 LYS 33 HB3 LYS 33 6.289 -8.819 0.888 264 HG2 LYS 33 HG2 LYS 33 5.127 -8.203 -1.120 265 HG3 LYS 33 HG3 LYS 33 6.605 -7.541 -1.820 266 HD2 LYS 33 HD2 LYS 33 6.166 -10.433 -1.071 267 HD3 LYS 33 HD3 LYS 33 6.076 -9.774 -2.706 268 HE2 LYS 33 HE2 LYS 33 8.423 -9.050 -2.510 269 HE3 LYS 33 HE3 LYS 33 8.498 -9.793 -0.913 270 HZ1 LYS 33 HZ1 LYS 33 7.950 -11.221 -3.458 271 HZ2 LYS 33 HZ2 LYS 33 8.042 -11.937 -1.920 272 HZ3 LYS 33 HZ3 LYS 33 9.420 -11.235 -2.616 273 H HIS 34 H HIS 34 5.685 -5.531 -1.278 274 HA HIS 34 HA HIS 34 8.163 -4.463 -2.225 275 HB2 HIS 34 HB2 HIS 34 5.302 -4.074 -3.082 276 HB3 HIS 34 HB3 HIS 34 6.613 -3.143 -3.797 277 HD1 HIS 34 HD1 HIS 34 8.419 -4.548 -5.193 278 HD2 HIS 34 HD2 HIS 34 5.027 -6.636 -4.000 279 HE1 HIS 34 HE1 HIS 34 8.329 -6.633 -6.615 280 H ILE 35 H ILE 35 5.371 -3.125 -0.499 281 HA ILE 35 HA ILE 35 6.233 -0.458 -0.396 282 HB ILE 35 HB ILE 35 4.561 -2.078 1.522 283 HG12 ILE 35 HG12 ILE 35 3.858 0.124 -0.429 284 HG13 ILE 35 HG13 ILE 35 3.621 -1.596 -0.714 285 HG21 ILE 35 HG21 ILE 35 5.133 0.879 1.637 286 HG22 ILE 35 HG22 ILE 35 5.636 -0.331 2.817 287 HG23 ILE 35 HG23 ILE 35 3.923 0.032 2.601 288 HD11 ILE 35 HD11 ILE 35 1.555 -0.479 -0.071 289 HD12 ILE 35 HD12 ILE 35 2.296 0.015 1.452 290 HD13 ILE 35 HD13 ILE 35 2.031 -1.696 1.114 291 H LYS 36 H LYS 36 6.778 -3.132 1.858 292 HA LYS 36 HA LYS 36 8.388 -1.815 3.733 293 HB2 LYS 36 HB2 LYS 36 7.334 -4.055 3.993 294 HB3 LYS 36 HB3 LYS 36 8.495 -4.707 2.850 295 HG2 LYS 36 HG2 LYS 36 10.239 -3.742 4.557 296 HG3 LYS 36 HG3 LYS 36 8.877 -3.866 5.673 297 HD2 LYS 36 HD2 LYS 36 10.094 -6.084 4.030 298 HD3 LYS 36 HD3 LYS 36 10.148 -5.908 5.783 299 HE2 LYS 36 HE2 LYS 36 7.791 -6.284 5.960 300 HE3 LYS 36 HE3 LYS 36 7.600 -6.232 4.207 301 HZ1 LYS 36 HZ1 LYS 36 9.161 -8.274 5.697 302 HZ2 LYS 36 HZ2 LYS 36 8.892 -8.243 4.019 303 HZ3 LYS 36 HZ3 LYS 36 7.595 -8.501 5.084 304 H ASP 37 H ASP 37 9.130 -3.141 0.598 305 HA ASP 37 HA ASP 37 11.972 -3.208 0.968 306 HB2 ASP 37 HB2 ASP 37 10.877 -4.732 -0.591 307 HB3 ASP 37 HB3 ASP 37 10.287 -3.372 -1.539 308 H HIS 38 H HIS 38 9.700 -1.017 -0.653 309 HA HIS 38 HA HIS 38 11.896 0.690 -1.510 310 HB2 HIS 38 HB2 HIS 38 8.918 0.908 -1.983 311 HB3 HIS 38 HB3 HIS 38 10.111 2.029 -2.628 312 HD1 HIS 38 HD1 HIS 38 10.771 1.503 -4.980 313 HD2 HIS 38 HD2 HIS 38 9.614 -1.901 -2.889 314 HE1 HIS 38 HE1 HIS 38 10.922 -0.387 -6.623 315 HE2 HIS 38 HE2 HIS 38 10.407 -2.456 -5.280 316 H PHE 39 H PHE 39 9.117 0.858 0.682 317 HA PHE 39 HA PHE 39 10.258 3.328 1.813 318 HB2 PHE 39 HB2 PHE 39 7.377 2.394 1.861 319 HB3 PHE 39 HB3 PHE 39 7.984 3.861 2.621 320 HD1 PHE 39 HD2 PHE 39 9.092 5.598 1.082 321 HD2 PHE 39 HD1 PHE 39 6.605 2.444 -0.326 322 HE1 PHE 39 HE2 PHE 39 8.701 6.841 -1.002 323 HE2 PHE 39 HE1 PHE 39 6.212 3.683 -2.415 324 HZ PHE 39 HZ PHE 39 7.259 5.886 -2.754 325 H ARG 40 H ARG 40 11.589 2.409 3.284 326 HA ARG 40 HA ARG 40 10.659 0.172 4.900 327 HB2 ARG 40 HB2 ARG 40 13.392 1.449 4.925 328 HB3 ARG 40 HB3 ARG 40 12.954 -0.181 5.428 329 HG2 ARG 40 HG2 ARG 40 12.504 -0.814 3.149 330 HG3 ARG 40 HG3 ARG 40 12.763 0.841 2.599 331 HD2 ARG 40 HD2 ARG 40 14.737 -0.322 2.078 332 HD3 ARG 40 HD3 ARG 40 15.111 0.627 3.516 333 HE ARG 40 HE ARG 40 15.038 -1.373 4.812 334 HH11 ARG 40 HH11 ARG 40 14.782 -1.866 1.356 335 HH12 ARG 40 HH12 ARG 40 15.279 -3.525 1.421 336 HH21 ARG 40 HH21 ARG 40 15.695 -3.578 4.903 337 HH22 ARG 40 HH22 ARG 40 15.809 -4.494 3.427 338 H HIS 41 H HIS 41 12.119 3.379 5.374 339 HA HIS 41 HA HIS 41 11.029 3.360 8.116 340 HB2 HIS 41 HB2 HIS 41 13.661 4.418 7.100 341 HB3 HIS 41 HB3 HIS 41 12.958 4.993 8.607 342 HD1 HIS 41 HD1 HIS 41 15.633 3.159 8.091 343 HD2 HIS 41 HD2 HIS 41 11.974 1.991 9.681 344 HE1 HIS 41 HE1 HIS 41 16.122 1.152 9.518 345 HE2 HIS 41 HE2 HIS 41 13.940 0.639 10.668 346 H LYS 42 H LYS 42 10.213 4.445 5.332 347 HA LYS 42 HA LYS 42 10.040 7.285 5.758 348 HB2 LYS 42 HB2 LYS 42 9.908 5.735 3.537 349 HB3 LYS 42 HB3 LYS 42 8.197 5.979 3.843 350 HG2 LYS 42 HG2 LYS 42 8.916 7.655 2.315 351 HG3 LYS 42 HG3 LYS 42 8.632 8.441 3.870 352 HD2 LYS 42 HD2 LYS 42 10.982 8.491 4.344 353 HD3 LYS 42 HD3 LYS 42 11.335 7.507 2.926 354 HE2 LYS 42 HE2 LYS 42 11.882 9.808 2.467 355 HE3 LYS 42 HE3 LYS 42 10.501 9.324 1.488 356 HZ1 LYS 42 HZ1 LYS 42 10.320 11.556 2.527 357 HZ2 LYS 42 HZ2 LYS 42 10.247 10.809 4.049 358 HZ3 LYS 42 HZ3 LYS 42 9.039 10.515 2.899 359 H LEU 43 H LEU 43 8.429 8.370 6.753 360 HA LEU 43 HA LEU 43 6.491 6.940 8.280 361 HB2 LEU 43 HB2 LEU 43 6.665 9.901 7.718 362 HB3 LEU 43 HB3 LEU 43 5.710 9.146 8.980 363 HG LEU 43 HG LEU 43 8.724 9.106 8.826 364 HD11 LEU 43 HD11 LEU 43 6.873 10.678 10.605 365 HD12 LEU 43 HD12 LEU 43 7.863 11.330 9.298 366 HD13 LEU 43 HD13 LEU 43 8.632 10.633 10.725 367 HD21 LEU 43 HD21 LEU 43 6.837 8.154 10.977 368 HD22 LEU 43 HD22 LEU 43 8.597 8.195 11.092 369 HD23 LEU 43 HD23 LEU 43 7.815 7.130 9.923 370 H LEU 44 H LEU 44 4.129 7.473 8.188 371 HA LEU 44 HA LEU 44 3.110 6.665 5.695 372 HB2 LEU 44 HB2 LEU 44 1.983 6.229 7.833 373 HB3 LEU 44 HB3 LEU 44 1.676 7.944 8.026 374 HG LEU 44 HG LEU 44 0.307 7.835 5.904 375 HD11 LEU 44 HD11 LEU 44 0.555 4.870 6.377 376 HD12 LEU 44 HD12 LEU 44 1.231 5.765 5.016 377 HD13 LEU 44 HD13 LEU 44 -0.516 5.652 5.217 378 HD21 LEU 44 HD21 LEU 44 -0.705 7.917 8.121 379 HD22 LEU 44 HD22 LEU 44 -0.605 6.159 8.238 380 HD23 LEU 44 HD23 LEU 44 -1.645 6.907 7.025 381 H LYS 45 H LYS 45 2.876 9.790 7.345 382 HA LYS 45 HA LYS 45 1.602 11.098 5.149 383 HB2 LYS 45 HB2 LYS 45 1.911 13.134 6.506 384 HB3 LYS 45 HB3 LYS 45 1.230 11.818 7.454 385 HG2 LYS 45 HG2 LYS 45 2.805 12.631 8.910 386 HG3 LYS 45 HG3 LYS 45 3.731 11.379 8.092 387 HD2 LYS 45 HD2 LYS 45 4.646 13.094 6.561 388 HD3 LYS 45 HD3 LYS 45 3.781 14.334 7.470 389 HE2 LYS 45 HE2 LYS 45 5.065 13.864 9.440 390 HE3 LYS 45 HE3 LYS 45 5.814 12.467 8.670 391 HZ1 LYS 45 HZ1 LYS 45 6.975 13.883 7.161 392 HZ2 LYS 45 HZ2 LYS 45 7.233 14.481 8.731 393 HZ3 LYS 45 HZ3 LYS 45 6.133 15.255 7.701 394 H ASP 46 H ASP 46 4.686 10.045 5.506 395 HA ASP 46 HA ASP 46 5.996 12.467 4.497 396 HB2 ASP 46 HB2 ASP 46 6.717 10.924 6.569 397 HB3 ASP 46 HB3 ASP 46 7.548 10.047 5.287 398 H ILE 47 H ILE 47 4.416 10.161 3.092 399 HA ILE 47 HA ILE 47 6.379 9.139 1.232 400 HB ILE 47 HB ILE 47 3.363 8.922 1.164 401 HG12 ILE 47 HG12 ILE 47 4.287 7.832 3.140 402 HG13 ILE 47 HG13 ILE 47 3.732 6.621 1.989 403 HG21 ILE 47 HG21 ILE 47 3.745 7.083 -0.421 404 HG22 ILE 47 HG22 ILE 47 5.472 7.441 -0.398 405 HG23 ILE 47 HG23 ILE 47 4.335 8.628 -1.037 406 HD11 ILE 47 HD11 ILE 47 5.842 5.978 2.996 407 HD12 ILE 47 HD12 ILE 47 6.587 7.471 2.425 408 HD13 ILE 47 HD13 ILE 47 6.038 6.262 1.266 409 H LYS 48 H LYS 48 7.153 10.448 -0.293 410 HA LYS 48 HA LYS 48 5.706 12.739 -1.209 411 HB2 LYS 48 HB2 LYS 48 8.289 11.509 -2.184 412 HB3 LYS 48 HB3 LYS 48 7.610 13.000 -2.820 413 HG2 LYS 48 HG2 LYS 48 7.679 13.859 -0.423 414 HG3 LYS 48 HG3 LYS 48 8.706 12.467 -0.082 415 HD2 LYS 48 HD2 LYS 48 9.268 14.564 -2.177 416 HD3 LYS 48 HD3 LYS 48 9.988 14.525 -0.568 417 HE2 LYS 48 HE2 LYS 48 10.938 12.295 -1.103 418 HE3 LYS 48 HE3 LYS 48 10.302 12.455 -2.740 419 HZ1 LYS 48 HZ1 LYS 48 12.242 14.323 -1.483 420 HZ2 LYS 48 HZ2 LYS 48 11.688 14.382 -3.083 421 HZ3 LYS 48 HZ3 LYS 48 12.653 13.089 -2.569 422 H ARG 49 H ARG 49 4.371 12.900 -2.831 423 HA ARG 49 HA ARG 49 3.277 10.811 -4.255 424 HB2 ARG 49 HB2 ARG 49 2.488 12.631 -5.839 425 HB3 ARG 49 HB3 ARG 49 2.094 12.855 -4.140 426 HG2 ARG 49 HG2 ARG 49 4.207 14.287 -4.021 427 HG3 ARG 49 HG3 ARG 49 4.163 14.272 -5.784 428 HD2 ARG 49 HD2 ARG 49 1.989 15.300 -5.791 429 HD3 ARG 49 HD3 ARG 49 1.879 15.174 -4.035 430 HE ARG 49 HE ARG 49 3.961 16.816 -5.333 431 HH11 ARG 49 HH11 ARG 49 1.333 16.456 -3.039 432 HH12 ARG 49 HH12 ARG 49 1.515 18.051 -2.375 433 HH21 ARG 49 HH21 ARG 49 4.222 18.892 -4.450 434 HH22 ARG 49 HH22 ARG 49 3.182 19.438 -3.170 435 H THR 50 H THR 50 6.121 12.696 -5.009 436 HA THR 50 HA THR 50 6.415 11.831 -7.695 437 HB THR 50 HB THR 50 8.867 12.547 -7.232 438 HG1 THR 50 HG1 THR 50 9.030 13.889 -5.351 439 HG21 THR 50 HG21 THR 50 7.256 13.914 -8.463 440 HG22 THR 50 HG22 THR 50 8.238 14.921 -7.400 441 HG23 THR 50 HG23 THR 50 6.585 14.510 -6.945 442 H GLU 51 H GLU 51 7.786 10.747 -4.613 443 HA GLU 51 HA GLU 51 9.371 8.662 -5.688 444 HB2 GLU 51 HB2 GLU 51 8.210 9.066 -2.928 445 HB3 GLU 51 HB3 GLU 51 9.328 7.770 -3.337 446 HG2 GLU 51 HG2 GLU 51 9.910 10.714 -3.574 447 HG3 GLU 51 HG3 GLU 51 10.435 9.665 -2.257 448 H TYR 52 H TYR 52 6.052 8.889 -4.612 449 HA TYR 52 HA TYR 52 5.400 6.159 -4.652 450 HB2 TYR 52 HB2 TYR 52 4.003 8.002 -3.665 451 HB3 TYR 52 HB3 TYR 52 3.547 8.461 -5.302 452 HD1 TYR 52 HD2 TYR 52 3.800 5.199 -3.486 453 HD2 TYR 52 HD1 TYR 52 1.378 7.844 -5.771 454 HE1 TYR 52 HE2 TYR 52 1.966 3.560 -3.425 455 HE2 TYR 52 HE1 TYR 52 -0.462 6.214 -5.720 456 HH TYR 52 HH TYR 52 -0.436 3.467 -3.675 457 H GLN 53 H GLN 53 5.516 8.597 -7.187 458 HA GLN 53 HA GLN 53 4.375 7.182 -9.294 459 HB2 GLN 53 HB2 GLN 53 4.964 9.492 -9.576 460 HB3 GLN 53 HB3 GLN 53 6.660 9.158 -9.262 461 HG2 GLN 53 HG2 GLN 53 6.364 9.531 -11.602 462 HG3 GLN 53 HG3 GLN 53 6.746 7.832 -11.347 463 HE21 GLN 53 HE21 GLN 53 3.607 9.246 -10.733 464 HE22 GLN 53 HE22 GLN 53 2.788 8.443 -12.023 465 H LYS 54 H LYS 54 7.733 7.119 -8.100 466 HA LYS 54 HA LYS 54 8.679 5.259 -10.017 467 HB2 LYS 54 HB2 LYS 54 9.679 6.265 -7.396 468 HB3 LYS 54 HB3 LYS 54 10.365 4.769 -8.009 469 HG2 LYS 54 HG2 LYS 54 11.812 6.435 -8.754 470 HG3 LYS 54 HG3 LYS 54 10.829 6.040 -10.161 471 HD2 LYS 54 HD2 LYS 54 11.042 8.421 -10.038 472 HD3 LYS 54 HD3 LYS 54 9.384 8.000 -9.606 473 HE2 LYS 54 HE2 LYS 54 10.362 9.727 -8.134 474 HE3 LYS 54 HE3 LYS 54 9.867 8.275 -7.268 475 HZ1 LYS 54 HZ1 LYS 54 12.105 7.581 -7.057 476 HZ2 LYS 54 HZ2 LYS 54 12.072 9.218 -6.614 477 HZ3 LYS 54 HZ3 LYS 54 12.663 8.761 -8.142 478 H PHE 55 H PHE 55 7.447 4.861 -6.717 479 HA PHE 55 HA PHE 55 7.811 2.125 -6.453 480 HB2 PHE 55 HB2 PHE 55 7.112 3.514 -4.585 481 HB3 PHE 55 HB3 PHE 55 5.577 3.860 -5.374 482 HD1 PHE 55 HD2 PHE 55 7.602 0.948 -4.215 483 HD2 PHE 55 HD1 PHE 55 3.737 2.643 -4.758 484 HE1 PHE 55 HE2 PHE 55 6.592 -1.004 -3.108 485 HE2 PHE 55 HE1 PHE 55 2.722 0.695 -3.653 486 HZ PHE 55 HZ PHE 55 4.150 -1.130 -2.824 487 H LEU 56 H LEU 56 5.204 3.897 -8.026 488 HA LEU 56 HA LEU 56 3.633 1.574 -8.551 489 HB2 LEU 56 HB2 LEU 56 3.539 4.357 -9.700 490 HB3 LEU 56 HB3 LEU 56 2.382 3.101 -10.094 491 HG LEU 56 HG LEU 56 2.827 4.315 -7.366 492 HD11 LEU 56 HD11 LEU 56 0.539 5.158 -7.675 493 HD12 LEU 56 HD12 LEU 56 0.535 4.512 -9.316 494 HD13 LEU 56 HD13 LEU 56 1.656 5.802 -8.878 495 HD21 LEU 56 HD21 LEU 56 2.266 1.952 -7.185 496 HD22 LEU 56 HD22 LEU 56 0.886 2.185 -8.258 497 HD23 LEU 56 HD23 LEU 56 0.909 2.955 -6.672 498 H ASN 57 H ASN 57 5.935 3.491 -10.502 499 HA ASN 57 HA ASN 57 5.336 1.981 -12.854 500 HB2 ASN 57 HB2 ASN 57 7.116 3.200 -13.955 501 HB3 ASN 57 HB3 ASN 57 6.118 4.299 -13.028 502 HD21 ASN 57 HD21 ASN 57 7.538 5.902 -12.753 503 HD22 ASN 57 HD22 ASN 57 9.030 5.755 -11.896 504 H GLU 58 H GLU 58 7.605 1.582 -10.248 505 HA GLU 58 HA GLU 58 9.145 -0.450 -11.565 506 HB2 GLU 58 HB2 GLU 58 8.794 0.165 -8.620 507 HB3 GLU 58 HB3 GLU 58 9.953 -0.985 -9.270 508 HG2 GLU 58 HG2 GLU 58 11.059 0.834 -10.484 509 HG3 GLU 58 HG3 GLU 58 9.911 1.980 -9.794 510 H TYR 59 H TYR 59 6.273 -0.324 -9.584 511 HA TYR 59 HA TYR 59 6.061 -3.151 -9.190 512 HB2 TYR 59 HB2 TYR 59 5.084 -1.327 -7.708 513 HB3 TYR 59 HB3 TYR 59 3.852 -1.104 -8.944 514 HD1 TYR 59 HD1 TYR 59 5.152 -3.369 -6.367 515 HD2 TYR 59 HD2 TYR 59 2.067 -2.707 -9.220 516 HE1 TYR 59 HE1 TYR 59 3.819 -5.155 -5.330 517 HE2 TYR 59 HE2 TYR 59 0.723 -4.490 -8.189 518 HH TYR 59 HH TYR 59 1.418 -5.802 -5.168 519 H GLY 60 H GLY 60 4.797 -0.819 -11.488 520 HA2 GLY 60 HA2 GLY 60 2.872 -2.593 -12.650 521 HA3 GLY 60 HA3 GLY 60 3.355 -1.026 -13.273 522 H LEU 61 H LEU 61 6.201 -2.517 -12.949 523 HA LEU 61 HA LEU 61 6.194 -3.492 -15.694 524 HB2 LEU 61 HB2 LEU 61 8.436 -3.216 -13.684 525 HB3 LEU 61 HB3 LEU 61 8.643 -3.779 -15.330 526 HG LEU 61 HG LEU 61 7.703 -1.024 -14.522 527 HD11 LEU 61 HD11 LEU 61 9.861 -0.278 -15.374 528 HD12 LEU 61 HD12 LEU 61 10.323 -1.949 -15.696 529 HD13 LEU 61 HD13 LEU 61 10.066 -1.409 -14.037 530 HD21 LEU 61 HD21 LEU 61 7.938 -0.494 -16.902 531 HD22 LEU 61 HD22 LEU 61 6.712 -1.732 -16.626 532 HD23 LEU 61 HD23 LEU 61 8.303 -2.186 -17.238 533 H THR 62 H THR 62 6.443 -4.682 -12.421 534 HA THR 62 HA THR 62 7.016 -7.388 -13.322 535 HB THR 62 HB THR 62 6.917 -7.856 -10.804 536 HG1 THR 62 HG1 THR 62 7.395 -5.160 -10.324 537 HG21 THR 62 HG21 THR 62 8.953 -5.895 -11.868 538 HG22 THR 62 HG22 THR 62 9.027 -7.651 -12.003 539 HG23 THR 62 HG23 THR 62 9.147 -6.883 -10.420 540 H HIS 63 H HIS 63 4.435 -5.512 -11.860 541 HA HIS 63 HA HIS 63 2.648 -7.847 -12.062 542 HB2 HIS 63 HB2 HIS 63 2.478 -5.477 -10.182 543 HB3 HIS 63 HB3 HIS 63 1.293 -6.776 -10.282 544 HD1 HIS 63 HD1 HIS 63 4.965 -6.279 -9.412 545 HD2 HIS 63 HD2 HIS 63 1.825 -8.906 -8.667 546 HE1 HIS 63 HE1 HIS 63 5.812 -7.877 -7.667 547 HE2 HIS 63 HE2 HIS 63 3.976 -9.569 -7.393 548 H SER 64 H SER 64 0.619 -7.531 -13.001 549 HA SER 64 HA SER 64 0.610 -5.473 -14.993 550 HB2 SER 64 HB2 SER 64 -0.136 -7.814 -15.421 551 HB3 SER 64 HB3 SER 64 -1.525 -7.526 -14.377 552 HG SER 64 HG SER 64 -0.999 -6.622 -16.958 553 H TYR 65 H TYR 65 -1.840 -4.660 -15.414 554 HA TYR 65 HA TYR 65 -2.087 -2.459 -13.721 555 HB2 TYR 65 HB2 TYR 65 -2.880 -2.467 -16.034 556 HB3 TYR 65 HB3 TYR 65 -4.127 -3.638 -15.619 557 HD1 TYR 65 HD2 TYR 65 -3.031 -0.151 -15.200 558 HD2 TYR 65 HD1 TYR 65 -6.182 -2.947 -14.560 559 HE1 TYR 65 HE2 TYR 65 -4.555 1.703 -14.673 560 HE2 TYR 65 HE1 TYR 65 -7.721 -1.093 -14.049 561 HH TYR 65 HH TYR 65 -7.701 1.193 -13.340 562 H GLU 66 H GLU 66 -3.884 -5.498 -13.772 563 HA GLU 66 HA GLU 66 -5.951 -4.741 -12.059 564 HB2 GLU 66 HB2 GLU 66 -5.806 -6.819 -13.474 565 HB3 GLU 66 HB3 GLU 66 -4.746 -7.497 -12.244 566 HG2 GLU 66 HG2 GLU 66 -6.520 -7.248 -10.586 567 HG3 GLU 66 HG3 GLU 66 -7.578 -6.588 -11.838 568 H THR 67 H THR 67 -2.802 -6.194 -11.332 569 HA THR 67 HA THR 67 -3.312 -6.438 -8.541 570 HB THR 67 HB THR 67 -0.607 -6.422 -9.885 571 HG1 THR 67 HG1 THR 67 -1.034 -8.794 -9.876 572 HG21 THR 67 HG21 THR 67 -1.622 -7.745 -7.364 573 HG22 THR 67 HG22 THR 67 -0.555 -6.343 -7.439 574 HG23 THR 67 HG23 THR 67 0.003 -7.911 -8.027 575 H ILE 68 H ILE 68 -1.555 -4.049 -10.525 576 HA ILE 68 HA ILE 68 -0.627 -2.543 -8.307 577 HB ILE 68 HB ILE 68 0.396 -2.350 -10.562 578 HG12 ILE 68 HG12 ILE 68 -0.651 0.247 -9.413 579 HG13 ILE 68 HG13 ILE 68 0.772 -0.624 -8.852 580 HG21 ILE 68 HG21 ILE 68 -2.084 -0.780 -11.251 581 HG22 ILE 68 HG22 ILE 68 -1.627 -2.349 -11.916 582 HG23 ILE 68 HG23 ILE 68 -0.640 -0.926 -12.254 583 HD11 ILE 68 HD11 ILE 68 1.366 1.279 -10.245 584 HD12 ILE 68 HD12 ILE 68 0.425 0.605 -11.575 585 HD13 ILE 68 HD13 ILE 68 1.860 -0.239 -10.994 586 H ARG 69 H ARG 69 -3.576 -2.470 -10.227 587 HA ARG 69 HA ARG 69 -4.717 -0.121 -9.206 588 HB2 ARG 69 HB2 ARG 69 -5.650 -1.419 -11.100 589 HB3 ARG 69 HB3 ARG 69 -6.128 -2.686 -9.977 590 HG2 ARG 69 HG2 ARG 69 -7.561 -1.014 -8.813 591 HG3 ARG 69 HG3 ARG 69 -7.172 0.133 -10.095 592 HD2 ARG 69 HD2 ARG 69 -9.281 -0.891 -10.599 593 HD3 ARG 69 HD3 ARG 69 -8.077 -1.480 -11.744 594 HE ARG 69 HE ARG 69 -8.782 -3.072 -9.371 595 HH11 ARG 69 HH11 ARG 69 -8.633 -2.683 -12.846 596 HH12 ARG 69 HH12 ARG 69 -9.004 -4.342 -13.185 597 HH21 ARG 69 HH21 ARG 69 -9.289 -5.272 -9.818 598 HH22 ARG 69 HH22 ARG 69 -9.372 -5.807 -11.477 599 H LYS 70 H LYS 70 -4.912 -3.475 -8.059 600 HA LYS 70 HA LYS 70 -6.440 -3.027 -5.765 601 HB2 LYS 70 HB2 LYS 70 -4.455 -5.103 -6.588 602 HB3 LYS 70 HB3 LYS 70 -4.988 -5.065 -4.912 603 HG2 LYS 70 HG2 LYS 70 -7.228 -5.458 -5.510 604 HG3 LYS 70 HG3 LYS 70 -6.904 -5.141 -7.206 605 HD2 LYS 70 HD2 LYS 70 -5.512 -7.148 -7.324 606 HD3 LYS 70 HD3 LYS 70 -5.813 -7.453 -5.612 607 HE2 LYS 70 HE2 LYS 70 -7.930 -7.348 -7.758 608 HE3 LYS 70 HE3 LYS 70 -7.233 -8.825 -7.091 609 HZ1 LYS 70 HZ1 LYS 70 -9.383 -8.201 -6.091 610 HZ2 LYS 70 HZ2 LYS 70 -8.675 -6.786 -5.480 611 HZ3 LYS 70 HZ3 LYS 70 -8.130 -8.303 -4.954 612 H LEU 71 H LEU 71 -2.919 -3.064 -6.171 613 HA LEU 71 HA LEU 71 -2.128 -2.555 -3.576 614 HB2 LEU 71 HB2 LEU 71 -0.525 -3.092 -5.276 615 HB3 LEU 71 HB3 LEU 71 -0.945 -1.665 -6.203 616 HG LEU 71 HG LEU 71 -0.036 -0.269 -4.332 617 HD11 LEU 71 HD11 LEU 71 0.990 -2.922 -3.340 618 HD12 LEU 71 HD12 LEU 71 -0.218 -1.912 -2.547 619 HD13 LEU 71 HD13 LEU 71 1.442 -1.336 -2.713 620 HD21 LEU 71 HD21 LEU 71 1.862 -2.203 -5.653 621 HD22 LEU 71 HD22 LEU 71 2.305 -0.656 -4.928 622 HD23 LEU 71 HD23 LEU 71 1.255 -0.698 -6.344 623 H ASN 72 H ASN 72 -2.745 -0.168 -6.141 624 HA ASN 72 HA ASN 72 -2.325 2.123 -4.580 625 HB2 ASN 72 HB2 ASN 72 -2.374 2.135 -7.036 626 HB3 ASN 72 HB3 ASN 72 -4.092 1.764 -7.011 627 HD21 ASN 72 HD21 ASN 72 -1.673 4.190 -6.380 628 HD22 ASN 72 HD22 ASN 72 -2.751 5.543 -6.382 629 H SER 73 H SER 73 -5.222 0.194 -5.158 630 HA SER 73 HA SER 73 -7.074 1.915 -3.936 631 HB2 SER 73 HB2 SER 73 -7.774 0.053 -5.356 632 HB3 SER 73 HB3 SER 73 -7.133 -1.101 -4.186 633 HG SER 73 HG SER 73 -8.752 0.452 -2.836 634 H TYR 74 H TYR 74 -5.121 -0.742 -2.604 635 HA TYR 74 HA TYR 74 -6.250 -0.655 -0.008 636 HB2 TYR 74 HB2 TYR 74 -3.434 -1.522 -0.702 637 HB3 TYR 74 HB3 TYR 74 -4.378 -2.004 0.700 638 HD1 TYR 74 HD1 TYR 74 -6.989 -2.617 -0.682 639 HD2 TYR 74 HD2 TYR 74 -2.969 -3.581 -1.695 640 HE1 TYR 74 HE1 TYR 74 -7.773 -4.595 -1.920 641 HE2 TYR 74 HE2 TYR 74 -3.750 -5.550 -2.937 642 HH TYR 74 HH TYR 74 -5.686 -7.057 -2.956 643 H ILE 75 H ILE 75 -3.310 0.768 -1.376 644 HA ILE 75 HA ILE 75 -2.390 2.057 0.933 645 HB ILE 75 HB ILE 75 -2.026 2.808 -1.971 646 HG12 ILE 75 HG12 ILE 75 -0.206 1.350 -0.045 647 HG13 ILE 75 HG13 ILE 75 -1.166 0.585 -1.307 648 HG21 ILE 75 HG21 ILE 75 -0.100 4.132 -1.230 649 HG22 ILE 75 HG22 ILE 75 -0.539 3.811 0.448 650 HG23 ILE 75 HG23 ILE 75 -1.619 4.752 -0.581 651 HD11 ILE 75 HD11 ILE 75 1.080 2.548 -1.723 652 HD12 ILE 75 HD12 ILE 75 0.098 1.830 -3.001 653 HD13 ILE 75 HD13 ILE 75 1.136 0.807 -2.005 654 H ARG 76 H ARG 76 -4.481 3.264 -1.682 655 HA ARG 76 HA ARG 76 -4.686 5.889 -0.645 656 HB2 ARG 76 HB2 ARG 76 -5.134 5.245 -3.008 657 HB3 ARG 76 HB3 ARG 76 -6.613 4.457 -2.476 658 HG2 ARG 76 HG2 ARG 76 -7.568 6.534 -1.803 659 HG3 ARG 76 HG3 ARG 76 -6.041 7.379 -2.063 660 HD2 ARG 76 HD2 ARG 76 -6.177 6.897 -4.454 661 HD3 ARG 76 HD3 ARG 76 -7.688 6.026 -4.197 662 HE ARG 76 HE ARG 76 -8.559 8.241 -3.359 663 HH11 ARG 76 HH11 ARG 76 -6.010 8.010 -5.742 664 HH12 ARG 76 HH12 ARG 76 -6.373 9.538 -6.483 665 HH21 ARG 76 HH21 ARG 76 -9.042 10.265 -4.317 666 HH22 ARG 76 HH22 ARG 76 -8.116 10.809 -5.683 667 H ASN 77 H ASN 77 -6.566 2.952 -0.122 668 HA ASN 77 HA ASN 77 -8.674 4.222 1.316 669 HB2 ASN 77 HB2 ASN 77 -8.882 1.953 0.322 670 HB3 ASN 77 HB3 ASN 77 -7.736 1.352 1.511 671 HD21 ASN 77 HD21 ASN 77 -10.138 3.766 2.297 672 HD22 ASN 77 HD22 ASN 77 -11.099 2.750 3.314 673 H ALA 78 H ALA 78 -5.621 2.701 2.260 674 HA ALA 78 HA ALA 78 -5.910 2.922 5.041 675 HB1 ALA 78 HB1 ALA 78 -4.139 1.608 3.945 676 HB2 ALA 78 HB2 ALA 78 -3.492 2.717 5.155 677 HB3 ALA 78 HB3 ALA 78 -3.355 3.106 3.440 678 H PHE 79 H PHE 79 -4.572 5.195 2.664 679 HA PHE 79 HA PHE 79 -3.961 7.228 4.536 680 HB2 PHE 79 HB2 PHE 79 -4.276 7.132 1.566 681 HB3 PHE 79 HB3 PHE 79 -4.208 8.698 2.368 682 HD1 PHE 79 HD1 PHE 79 -2.208 9.323 3.677 683 HD2 PHE 79 HD2 PHE 79 -2.326 5.812 1.276 684 HE1 PHE 79 HE1 PHE 79 0.247 9.209 3.731 685 HE2 PHE 79 HE2 PHE 79 0.131 5.692 1.326 686 HZ PHE 79 HZ PHE 79 1.421 7.392 2.556 687 H ASP 80 H ASP 80 -6.858 6.465 2.681 688 HA ASP 80 HA ASP 80 -8.290 8.817 3.238 689 HB2 ASP 80 HB2 ASP 80 -8.994 7.184 1.528 690 HB3 ASP 80 HB3 ASP 80 -9.392 6.031 2.799 691 H ASP 81 H ASP 81 -8.068 5.742 4.997 692 HA ASP 81 HA ASP 81 -9.870 6.428 7.054 693 HB2 ASP 81 HB2 ASP 81 -7.587 4.473 6.906 694 HB3 ASP 81 HB3 ASP 81 -8.476 4.716 8.405 695 H ALA 82 H ALA 82 -6.415 6.957 6.657 696 HA ALA 82 HA ALA 82 -5.951 7.997 9.258 697 HB1 ALA 82 HB1 ALA 82 -3.804 8.736 8.379 698 HB2 ALA 82 HB2 ALA 82 -4.356 8.420 6.734 699 HB3 ALA 82 HB3 ALA 82 -4.154 7.086 7.868 700 H ILE 83 H ILE 83 -6.441 9.570 6.098 701 HA ILE 83 HA ILE 83 -6.287 12.214 7.099 702 HB ILE 83 HB ILE 83 -6.013 11.587 4.697 703 HG12 ILE 83 HG12 ILE 83 -8.103 13.705 5.228 704 HG13 ILE 83 HG13 ILE 83 -6.366 13.924 5.410 705 HG21 ILE 83 HG21 ILE 83 -7.886 10.062 4.455 706 HG22 ILE 83 HG22 ILE 83 -7.998 11.375 3.282 707 HG23 ILE 83 HG23 ILE 83 -9.017 11.391 4.720 708 HD11 ILE 83 HD11 ILE 83 -7.160 14.882 3.330 709 HD12 ILE 83 HD12 ILE 83 -7.809 13.316 2.842 710 HD13 ILE 83 HD13 ILE 83 -6.068 13.532 3.021 711 H HIS 84 H HIS 84 -8.873 9.898 6.818 712 HA HIS 84 HA HIS 84 -11.091 11.528 7.285 713 HB2 HIS 84 HB2 HIS 84 -10.919 9.006 6.719 714 HB3 HIS 84 HB3 HIS 84 -10.791 8.772 8.456 715 HD1 HIS 84 HD1 HIS 84 -12.973 7.823 9.117 716 HD2 HIS 84 HD2 HIS 84 -13.393 11.042 6.517 717 HE1 HIS 84 HE1 HIS 84 -15.452 8.186 8.879 718 HE2 HIS 84 HE2 HIS 84 -15.672 9.997 7.142 719 H GLU 85 H GLU 85 -8.597 10.365 9.419 720 HA GLU 85 HA GLU 85 -10.006 11.298 11.807 721 HB2 GLU 85 HB2 GLU 85 -7.280 10.029 11.512 722 HB3 GLU 85 HB3 GLU 85 -8.057 10.421 13.038 723 HG2 GLU 85 HG2 GLU 85 -9.887 8.848 12.429 724 HG3 GLU 85 HG3 GLU 85 -8.941 8.382 11.013 725 H GLY 86 H GLY 86 -7.845 12.447 9.477 726 HA2 GLY 86 HA2 GLY 86 -7.038 14.654 9.344 727 HA3 GLY 86 HA3 GLY 86 -7.280 14.819 11.079 728 H TYR 87 H TYR 87 -5.770 11.921 10.218 729 HA TYR 87 HA TYR 87 -3.415 12.632 11.653 730 HB2 TYR 87 HB2 TYR 87 -4.316 10.374 11.781 731 HB3 TYR 87 HB3 TYR 87 -4.080 10.151 10.051 732 HD1 TYR 87 HD1 TYR 87 -1.831 11.512 12.708 733 HD2 TYR 87 HD2 TYR 87 -2.475 8.518 9.757 734 HE1 TYR 87 HE1 TYR 87 0.420 10.617 13.135 735 HE2 TYR 87 HE2 TYR 87 -0.230 7.610 10.176 736 HH TYR 87 HH TYR 87 1.902 8.334 11.067 737 H VAL 88 H VAL 88 -4.160 12.211 8.223 738 HA VAL 88 HA VAL 88 -1.485 13.299 7.645 739 HB VAL 88 HB VAL 88 -1.658 12.329 5.380 740 HG11 VAL 88 HG11 VAL 88 -1.930 10.318 7.613 741 HG12 VAL 88 HG12 VAL 88 -0.447 11.139 7.126 742 HG13 VAL 88 HG13 VAL 88 -1.230 10.008 6.023 743 HG21 VAL 88 HG21 VAL 88 -4.080 12.197 5.188 744 HG22 VAL 88 HG22 VAL 88 -4.125 10.960 6.445 745 HG23 VAL 88 HG23 VAL 88 -3.343 10.620 4.901 746 H ILE 89 H ILE 89 -1.306 14.964 6.137 747 HA ILE 89 HA ILE 89 -3.594 16.697 6.140 748 HB ILE 89 HB ILE 89 -1.441 17.665 6.604 749 HG12 ILE 89 HG12 ILE 89 -1.427 19.509 4.932 750 HG13 ILE 89 HG13 ILE 89 -2.553 18.579 3.946 751 HG21 ILE 89 HG21 ILE 89 0.012 16.186 5.374 752 HG22 ILE 89 HG22 ILE 89 0.312 17.855 4.893 753 HG23 ILE 89 HG23 ILE 89 -0.620 16.789 3.842 754 HD11 ILE 89 HD11 ILE 89 -3.075 19.559 6.741 755 HD12 ILE 89 HD12 ILE 89 -4.204 18.668 5.722 756 HD13 ILE 89 HD13 ILE 89 -3.686 20.289 5.258 757 H LYS 90 H LYS 90 -1.582 15.236 3.579 758 HA LYS 90 HA LYS 90 -3.929 15.204 1.856 759 HB2 LYS 90 HB2 LYS 90 -1.300 16.491 1.107 760 HB3 LYS 90 HB3 LYS 90 -2.475 15.963 -0.091 761 HG2 LYS 90 HG2 LYS 90 -4.146 17.462 0.975 762 HG3 LYS 90 HG3 LYS 90 -2.871 18.058 2.036 763 HD2 LYS 90 HD2 LYS 90 -1.622 18.869 0.113 764 HD3 LYS 90 HD3 LYS 90 -2.848 18.217 -0.979 765 HE2 LYS 90 HE2 LYS 90 -4.518 19.703 -0.016 766 HE3 LYS 90 HE3 LYS 90 -3.329 20.327 1.123 767 HZ1 LYS 90 HZ1 LYS 90 -3.592 21.853 -0.684 768 HZ2 LYS 90 HZ2 LYS 90 -3.283 20.643 -1.831 769 HZ3 LYS 90 HZ3 LYS 90 -2.050 21.161 -0.792 770 H ASN 91 H ASN 91 -3.614 13.771 -0.023 771 HA ASN 91 HA ASN 91 -2.114 11.431 0.874 772 HB2 ASN 91 HB2 ASN 91 -4.329 11.719 -1.164 773 HB3 ASN 91 HB3 ASN 91 -3.531 10.200 -0.773 774 HD21 ASN 91 HD21 ASN 91 -6.330 10.998 -0.506 775 HD22 ASN 91 HD22 ASN 91 -6.722 10.754 1.164 776 HA PRO 92 HA PRO 92 0.919 11.872 -2.323 777 HB2 PRO 92 HB2 PRO 92 1.738 9.286 -2.511 778 HB3 PRO 92 HB3 PRO 92 2.187 10.344 -1.168 779 HG2 PRO 92 HG2 PRO 92 0.035 8.266 -1.307 780 HG3 PRO 92 HG3 PRO 92 1.185 8.598 0.001 781 HD2 PRO 92 HD2 PRO 92 -1.373 9.461 0.069 782 HD3 PRO 92 HD3 PRO 92 -0.042 10.385 0.793 783 H THR 93 H THR 93 -1.846 9.813 -2.640 784 HA THR 93 HA THR 93 -1.372 9.056 -5.362 785 HB THR 93 HB THR 93 -3.796 8.385 -5.324 786 HG1 THR 93 HG1 THR 93 -4.521 9.875 -3.740 787 HG21 THR 93 HG21 THR 93 -2.044 6.790 -4.729 788 HG22 THR 93 HG22 THR 93 -3.483 6.531 -3.743 789 HG23 THR 93 HG23 THR 93 -2.083 7.356 -3.059 790 H TYR 94 H TYR 94 -0.821 11.172 -6.119 791 HA TYR 94 HA TYR 94 -3.139 12.721 -7.000 792 HB2 TYR 94 HB2 TYR 94 -2.453 13.861 -4.981 793 HB3 TYR 94 HB3 TYR 94 -0.768 13.823 -5.478 794 HD1 TYR 94 HD1 TYR 94 -4.043 15.406 -6.090 795 HD2 TYR 94 HD2 TYR 94 0.122 15.475 -6.963 796 HE1 TYR 94 HE1 TYR 94 -4.291 17.641 -7.089 797 HE2 TYR 94 HE2 TYR 94 -0.116 17.703 -7.967 798 HH TYR 94 HH TYR 94 -1.899 19.079 -9.004 799 H LYS 95 H LYS 95 0.415 12.842 -7.020 800 HA LYS 95 HA LYS 95 0.358 13.523 -9.861 801 HB2 LYS 95 HB2 LYS 95 1.722 14.722 -7.961 802 HB3 LYS 95 HB3 LYS 95 2.850 13.395 -8.195 803 HG2 LYS 95 HG2 LYS 95 3.270 14.027 -10.436 804 HG3 LYS 95 HG3 LYS 95 1.921 15.167 -10.439 805 HD2 LYS 95 HD2 LYS 95 3.132 16.415 -8.607 806 HD3 LYS 95 HD3 LYS 95 4.521 15.379 -8.934 807 HE2 LYS 95 HE2 LYS 95 3.165 17.106 -10.997 808 HE3 LYS 95 HE3 LYS 95 4.593 17.590 -10.086 809 HZ1 LYS 95 HZ1 LYS 95 5.139 16.705 -12.284 810 HZ2 LYS 95 HZ2 LYS 95 4.445 15.214 -11.867 811 HZ3 LYS 95 HZ3 LYS 95 5.820 15.773 -11.045 812 H ALA 96 H ALA 96 -0.210 10.863 -8.739 813 HA ALA 96 HA ALA 96 1.745 9.325 -10.284 814 HB1 ALA 96 HB1 ALA 96 0.728 8.569 -7.545 815 HB2 ALA 96 HB2 ALA 96 2.369 9.085 -7.939 816 HB3 ALA 96 HB3 ALA 96 1.746 7.563 -8.578 817 H GLU 97 H GLU 97 0.893 7.509 -11.306 818 HA GLU 97 HA GLU 97 -2.003 7.103 -11.116 819 HB2 GLU 97 HB2 GLU 97 -2.166 7.031 -13.576 820 HB3 GLU 97 HB3 GLU 97 -1.653 8.614 -13.006 821 HG2 GLU 97 HG2 GLU 97 0.587 8.229 -13.672 822 HG3 GLU 97 HG3 GLU 97 0.276 6.518 -13.963 823 H LEU 98 H LEU 98 -2.638 5.111 -12.401 824 HA LEU 98 HA LEU 98 -0.871 2.940 -11.724 825 HB2 LEU 98 HB2 LEU 98 -3.534 2.945 -13.145 826 HB3 LEU 98 HB3 LEU 98 -2.683 1.514 -12.594 827 HG LEU 98 HG LEU 98 -3.734 3.701 -10.799 828 HD11 LEU 98 HD11 LEU 98 -5.385 2.052 -10.095 829 HD12 LEU 98 HD12 LEU 98 -4.768 0.913 -11.292 830 HD13 LEU 98 HD13 LEU 98 -5.536 2.411 -11.815 831 HD21 LEU 98 HD21 LEU 98 -3.189 2.131 -8.993 832 HD22 LEU 98 HD22 LEU 98 -1.758 2.632 -9.891 833 HD23 LEU 98 HD23 LEU 98 -2.464 1.042 -10.175 834 H HIS 99 H HIS 99 0.822 3.835 -13.167 835 HA HIS 99 HA HIS 99 0.333 3.471 -16.019 836 HB2 HIS 99 HB2 HIS 99 1.546 5.497 -14.934 837 HB3 HIS 99 HB3 HIS 99 2.925 4.411 -14.817 838 HD1 HIS 99 HD1 HIS 99 0.927 6.406 -17.227 839 HD2 HIS 99 HD2 HIS 99 4.111 3.723 -17.308 840 HE1 HIS 99 HE1 HIS 99 1.946 6.622 -19.521 841 HE2 HIS 99 HE2 HIS 99 3.932 5.069 -19.515 842 H ALA 100 H ALA 100 0.122 1.092 -15.350 843 HA ALA 100 HA ALA 100 2.582 -0.340 -14.937 844 HB1 ALA 100 HB1 ALA 100 -0.162 -1.349 -15.696 845 HB2 ALA 100 HB2 ALA 100 0.473 -1.213 -14.055 846 HB3 ALA 100 HB3 ALA 100 1.203 -2.348 -15.191 847 H SER 101 H SER 101 3.144 -2.144 -16.530 848 HA SER 101 HA SER 101 2.529 -1.455 -19.292 849 HB2 SER 101 HB2 SER 101 5.366 -1.594 -18.253 850 HB3 SER 101 HB3 SER 101 4.902 -1.405 -19.943 851 HG SER 101 HG SER 101 3.636 0.446 -18.496 852 H VAL 102 H VAL 102 4.781 -3.520 -17.465 853 HA VAL 102 HA VAL 102 5.427 -5.679 -17.758 854 HB VAL 102 HB VAL 102 2.529 -6.179 -18.437 855 HG11 VAL 102 HG11 VAL 102 2.933 -8.378 -17.421 856 HG12 VAL 102 HG12 VAL 102 4.626 -7.948 -17.182 857 HG13 VAL 102 HG13 VAL 102 3.978 -8.099 -18.815 858 HG21 VAL 102 HG21 VAL 102 3.843 -5.925 -15.738 859 HG22 VAL 102 HG22 VAL 102 2.214 -6.544 -16.009 860 HG23 VAL 102 HG23 VAL 102 2.600 -4.871 -16.418 861 H LEU 103 H LEU 103 6.527 -4.757 -19.675 862 HA LEU 103 HA LEU 103 5.474 -5.871 -22.193 863 HB2 LEU 103 HB2 LEU 103 7.202 -3.421 -21.790 864 HB3 LEU 103 HB3 LEU 103 6.705 -4.061 -23.345 865 HG LEU 103 HG LEU 103 4.846 -2.934 -21.246 866 HD11 LEU 103 HD11 LEU 103 6.237 -1.217 -22.275 867 HD12 LEU 103 HD12 LEU 103 4.562 -1.079 -22.808 868 HD13 LEU 103 HD13 LEU 103 5.772 -1.788 -23.877 869 HD21 LEU 103 HD21 LEU 103 3.132 -3.104 -22.969 870 HD22 LEU 103 HD22 LEU 103 3.806 -4.691 -22.599 871 HD23 LEU 103 HD23 LEU 103 4.295 -3.846 -24.068 872 H GLU 104 H GLU 104 7.868 -5.365 -23.649 873 HA GLU 104 HA GLU 104 9.667 -7.348 -22.440 874 HB2 GLU 104 HB2 GLU 104 9.702 -6.235 -25.250 875 HB3 GLU 104 HB3 GLU 104 10.624 -7.603 -24.647 876 HG2 GLU 104 HG2 GLU 104 8.590 -8.881 -24.365 877 HG3 GLU 104 HG3 GLU 104 7.630 -7.495 -24.892 878 H HIS 105 H HIS 105 11.982 -6.921 -22.492 879 HA HIS 105 HA HIS 105 12.643 -4.118 -23.043 880 HB2 HIS 105 HB2 HIS 105 14.289 -4.081 -21.219 881 HB3 HIS 105 HB3 HIS 105 12.653 -4.303 -20.633 882 HD1 HIS 105 HD1 HIS 105 12.080 -6.890 -19.916 883 HD2 HIS 105 HD2 HIS 105 16.085 -5.819 -20.231 884 HE1 HIS 105 HE1 HIS 105 13.335 -8.555 -18.521 885 HE2 HIS 105 HE2 HIS 105 15.702 -7.698 -18.490 886 H HIS 106 H HIS 106 12.754 -6.547 -24.627 887 HA HIS 106 HA HIS 106 15.621 -6.591 -25.252 888 HB2 HIS 106 HB2 HIS 106 13.347 -8.395 -25.936 889 HB3 HIS 106 HB3 HIS 106 14.655 -8.250 -27.103 890 HD1 HIS 106 HD1 HIS 106 17.155 -8.452 -25.636 891 HD2 HIS 106 HD2 HIS 106 13.780 -10.541 -24.383 892 HE1 HIS 106 HE1 HIS 106 18.014 -10.363 -24.244 893 HE2 HIS 106 HE2 HIS 106 15.949 -11.493 -23.349 894 H HIS 107 H HIS 107 12.469 -6.014 -26.825 895 HA HIS 107 HA HIS 107 13.570 -4.974 -29.218 896 HB2 HIS 107 HB2 HIS 107 10.853 -4.731 -27.940 897 HB3 HIS 107 HB3 HIS 107 11.245 -3.871 -29.424 898 HD1 HIS 107 HD1 HIS 107 9.600 -6.817 -28.419 899 HD2 HIS 107 HD2 HIS 107 12.404 -5.955 -31.383 900 HE1 HIS 107 HE1 HIS 107 9.402 -8.665 -30.106 901 HE2 HIS 107 HE2 HIS 107 11.173 -8.189 -31.835 902 H HIS 108 H HIS 108 12.312 -3.434 -26.286 903 HA HIS 108 HA HIS 108 13.980 -1.090 -26.910 904 HB2 HIS 108 HB2 HIS 108 11.832 -1.452 -24.796 905 HB3 HIS 108 HB3 HIS 108 12.802 0.003 -25.003 906 HD1 HIS 108 HD1 HIS 108 12.377 1.377 -27.256 907 HD2 HIS 108 HD2 HIS 108 9.640 -1.647 -26.424 908 HE1 HIS 108 HE1 HIS 108 10.398 1.819 -28.750 909 HE2 HIS 108 HE2 HIS 108 8.728 0.007 -28.194 910 H HIS 109 H HIS 109 15.990 -1.703 -26.356 911 HA HIS 109 HA HIS 109 16.495 -3.801 -24.550 912 HB2 HIS 109 HB2 HIS 109 18.782 -3.537 -25.059 913 HB3 HIS 109 HB3 HIS 109 17.926 -3.080 -26.523 914 HD1 HIS 109 HD1 HIS 109 20.455 -1.934 -24.204 915 HD2 HIS 109 HD2 HIS 109 17.774 -0.144 -26.837 916 HE1 HIS 109 HE1 HIS 109 21.315 0.405 -24.562 917 HE2 HIS 109 HE2 HIS 109 19.611 1.512 -26.060 918 H HIS 110 H HIS 110 17.704 -3.842 -22.645 919 HA HIS 110 HA HIS 110 18.162 -1.343 -21.226 920 HB2 HIS 110 HB2 HIS 110 15.890 -2.120 -20.525 921 HB3 HIS 110 HB3 HIS 110 16.611 -3.628 -19.973 922 HD1 HIS 110 HD1 HIS 110 17.652 -3.648 -17.678 923 HD2 HIS 110 HD2 HIS 110 16.659 0.177 -18.966 924 HE1 HIS 110 HE1 HIS 110 17.966 -2.158 -15.677 925 HE2 HIS 110 HE2 HIS 110 17.583 0.178 -16.549 Start of MODEL 12 1 H1 MET 1 H1 MET 1 5.700 8.711 16.234 2 H2 MET 1 H2 MET 1 4.087 8.229 16.039 3 H3 MET 1 H3 MET 1 4.487 9.874 15.993 4 HA MET 1 HA MET 1 4.093 9.111 13.778 5 HB2 MET 1 HB2 MET 1 6.971 9.653 14.494 6 HB3 MET 1 HB3 MET 1 6.458 9.455 12.825 7 HG2 MET 1 HG2 MET 1 5.157 11.466 14.622 8 HG3 MET 1 HG3 MET 1 6.662 11.824 13.780 9 HE1 MET 1 HE1 MET 1 3.288 9.930 12.805 10 HE2 MET 1 HE2 MET 1 2.538 11.173 11.805 11 HE3 MET 1 HE3 MET 1 2.800 11.466 13.524 12 H ILE 2 H ILE 2 3.481 7.138 13.183 13 HA ILE 2 HA ILE 2 5.287 4.881 13.540 14 HB ILE 2 HB ILE 2 2.892 4.625 14.103 15 HG12 ILE 2 HG12 ILE 2 3.757 2.903 11.766 16 HG13 ILE 2 HG13 ILE 2 4.245 2.663 13.440 17 HG21 ILE 2 HG21 ILE 2 1.947 6.099 12.415 18 HG22 ILE 2 HG22 ILE 2 1.211 4.499 12.334 19 HG23 ILE 2 HG23 ILE 2 2.425 4.975 11.143 20 HD11 ILE 2 HD11 ILE 2 1.927 2.232 14.055 21 HD12 ILE 2 HD12 ILE 2 2.481 1.125 12.797 22 HD13 ILE 2 HD13 ILE 2 1.434 2.482 12.380 23 H THR 3 H THR 3 6.148 3.663 11.900 24 HA THR 3 HA THR 3 6.664 4.929 9.410 25 HB THR 3 HB THR 3 7.489 2.427 8.945 26 HG1 THR 3 HG1 THR 3 7.224 1.211 10.660 27 HG21 THR 3 HG21 THR 3 8.945 4.387 9.100 28 HG22 THR 3 HG22 THR 3 9.633 3.028 9.987 29 HG23 THR 3 HG23 THR 3 8.836 4.338 10.859 30 H PHE 4 H PHE 4 5.892 4.467 7.372 31 HA PHE 4 HA PHE 4 3.161 3.889 7.196 32 HB2 PHE 4 HB2 PHE 4 4.189 5.313 5.559 33 HB3 PHE 4 HB3 PHE 4 5.288 4.034 5.058 34 HD1 PHE 4 HD2 PHE 4 1.584 4.213 5.546 35 HD2 PHE 4 HD1 PHE 4 4.825 3.336 2.931 36 HE1 PHE 4 HE2 PHE 4 -0.011 3.494 3.817 37 HE2 PHE 4 HE1 PHE 4 3.236 2.615 1.199 38 HZ PHE 4 HZ PHE 4 0.814 2.693 1.641 39 H ALA 5 H ALA 5 5.972 1.857 6.474 40 HA ALA 5 HA ALA 5 4.655 -0.287 5.288 41 HB1 ALA 5 HB1 ALA 5 7.090 -0.393 7.065 42 HB2 ALA 5 HB2 ALA 5 7.093 -0.050 5.335 43 HB3 ALA 5 HB3 ALA 5 6.584 -1.635 5.919 44 H ASP 6 H ASP 6 5.446 0.234 8.705 45 HA ASP 6 HA ASP 6 4.184 -2.129 9.627 46 HB2 ASP 6 HB2 ASP 6 4.884 0.408 11.124 47 HB3 ASP 6 HB3 ASP 6 4.451 -1.126 11.869 48 H TYR 7 H TYR 7 3.145 1.234 9.322 49 HA TYR 7 HA TYR 7 0.648 1.022 10.567 50 HB2 TYR 7 HB2 TYR 7 1.498 3.198 10.016 51 HB3 TYR 7 HB3 TYR 7 1.592 2.794 8.305 52 HD1 TYR 7 HD2 TYR 7 -0.707 3.618 11.076 53 HD2 TYR 7 HD1 TYR 7 -0.328 2.947 6.887 54 HE1 TYR 7 HE2 TYR 7 -2.958 4.543 10.726 55 HE2 TYR 7 HE1 TYR 7 -2.576 3.876 6.528 56 HH TYR 7 HH TYR 7 -4.601 4.294 7.701 57 H PHE 8 H PHE 8 1.580 0.492 7.187 58 HA PHE 8 HA PHE 8 -0.978 0.057 6.145 59 HB2 PHE 8 HB2 PHE 8 1.007 0.423 4.742 60 HB3 PHE 8 HB3 PHE 8 1.656 -1.135 5.242 61 HD1 PHE 8 HD2 PHE 8 -1.134 0.481 3.423 62 HD2 PHE 8 HD1 PHE 8 1.046 -3.107 4.126 63 HE1 PHE 8 HE2 PHE 8 -2.310 -0.597 1.551 64 HE2 PHE 8 HE1 PHE 8 -0.121 -4.188 2.249 65 HZ PHE 8 HZ PHE 8 -1.805 -2.935 0.957 66 H TYR 9 H TYR 9 1.400 -2.297 7.373 67 HA TYR 9 HA TYR 9 -0.233 -4.552 6.899 68 HB2 TYR 9 HB2 TYR 9 2.257 -4.598 7.308 69 HB3 TYR 9 HB3 TYR 9 1.915 -4.332 9.016 70 HD1 TYR 9 HD2 TYR 9 0.766 -6.085 10.335 71 HD2 TYR 9 HD1 TYR 9 1.914 -6.736 6.293 72 HE1 TYR 9 HE2 TYR 9 0.461 -8.498 10.649 73 HE2 TYR 9 HE1 TYR 9 1.616 -9.158 6.593 74 HH TYR 9 HH TYR 9 1.623 -10.797 8.437 75 H GLN 10 H GLN 10 0.160 -2.432 9.697 76 HA GLN 10 HA GLN 10 -1.432 -3.949 11.478 77 HB2 GLN 10 HB2 GLN 10 0.098 -2.246 12.297 78 HB3 GLN 10 HB3 GLN 10 -0.792 -0.993 11.443 79 HG2 GLN 10 HG2 GLN 10 -2.685 -1.272 12.873 80 HG3 GLN 10 HG3 GLN 10 -1.956 -2.681 13.644 81 HE21 GLN 10 HE21 GLN 10 -1.949 0.781 13.400 82 HE22 GLN 10 HE22 GLN 10 -0.937 1.078 14.775 83 H TRP 11 H TRP 11 -2.155 -1.141 9.432 84 HA TRP 11 HA TRP 11 -4.862 -0.847 9.970 85 HB2 TRP 11 HB2 TRP 11 -3.802 0.812 8.647 86 HB3 TRP 11 HB3 TRP 11 -3.225 -0.370 7.480 87 HD1 TRP 11 HD1 TRP 11 -6.490 1.415 8.530 88 HE1 TRP 11 HE1 TRP 11 -8.094 1.382 6.518 89 HE3 TRP 11 HE3 TRP 11 -3.735 -1.491 5.343 90 HZ2 TRP 11 HZ2 TRP 11 -8.170 0.278 3.920 91 HZ3 TRP 11 HZ3 TRP 11 -4.644 -1.983 3.113 92 HH2 TRP 11 HH2 TRP 11 -6.820 -1.116 2.420 93 H TYR 12 H TYR 12 -3.236 -3.004 7.697 94 HA TYR 12 HA TYR 12 -5.568 -4.182 6.641 95 HB2 TYR 12 HB2 TYR 12 -3.475 -4.459 5.489 96 HB3 TYR 12 HB3 TYR 12 -2.745 -5.229 6.896 97 HD1 TYR 12 HD2 TYR 12 -5.882 -5.738 4.929 98 HD2 TYR 12 HD1 TYR 12 -2.372 -7.479 6.577 99 HE1 TYR 12 HE2 TYR 12 -6.574 -7.931 4.065 100 HE2 TYR 12 HE1 TYR 12 -3.061 -9.683 5.726 101 HH TYR 12 HH TYR 12 -5.591 -10.055 3.466 102 H GLU 13 H GLU 13 -3.328 -5.372 9.142 103 HA GLU 13 HA GLU 13 -4.587 -7.752 9.741 104 HB2 GLU 13 HB2 GLU 13 -2.375 -7.210 10.552 105 HB3 GLU 13 HB3 GLU 13 -3.016 -5.915 11.550 106 HG2 GLU 13 HG2 GLU 13 -4.264 -7.591 12.859 107 HG3 GLU 13 HG3 GLU 13 -3.512 -8.861 11.899 108 H VAL 14 H VAL 14 -5.242 -4.552 11.106 109 HA VAL 14 HA VAL 14 -7.048 -5.545 13.089 110 HB VAL 14 HB VAL 14 -6.693 -2.723 12.058 111 HG11 VAL 14 HG11 VAL 14 -8.844 -3.006 13.167 112 HG12 VAL 14 HG12 VAL 14 -7.754 -2.038 14.162 113 HG13 VAL 14 HG13 VAL 14 -8.043 -3.731 14.562 114 HG21 VAL 14 HG21 VAL 14 -5.524 -4.084 14.486 115 HG22 VAL 14 HG22 VAL 14 -5.306 -2.392 14.040 116 HG23 VAL 14 HG23 VAL 14 -4.644 -3.666 13.016 117 H ASN 15 H ASN 15 -7.418 -4.377 9.793 118 HA ASN 15 HA ASN 15 -10.319 -4.161 10.172 119 HB2 ASN 15 HB2 ASN 15 -8.493 -3.161 7.994 120 HB3 ASN 15 HB3 ASN 15 -10.244 -3.173 7.816 121 HD21 ASN 15 HD21 ASN 15 -7.528 -1.674 9.312 122 HD22 ASN 15 HD22 ASN 15 -8.387 -0.337 10.012 123 H LYS 16 H LYS 16 -8.080 -5.506 7.744 124 HA LYS 16 HA LYS 16 -10.196 -7.429 7.034 125 HB2 LYS 16 HB2 LYS 16 -7.831 -6.713 5.296 126 HB3 LYS 16 HB3 LYS 16 -9.275 -7.597 4.834 127 HG2 LYS 16 HG2 LYS 16 -9.696 -5.571 3.878 128 HG3 LYS 16 HG3 LYS 16 -10.471 -5.344 5.449 129 HD2 LYS 16 HD2 LYS 16 -8.504 -4.200 6.284 130 HD3 LYS 16 HD3 LYS 16 -7.662 -4.481 4.759 131 HE2 LYS 16 HE2 LYS 16 -10.162 -2.830 5.126 132 HE3 LYS 16 HE3 LYS 16 -8.533 -2.197 4.909 133 HZ1 LYS 16 HZ1 LYS 16 -9.583 -2.094 2.823 134 HZ2 LYS 16 HZ2 LYS 16 -10.192 -3.669 2.940 135 HZ3 LYS 16 HZ3 LYS 16 -8.527 -3.418 2.721 136 H LEU 17 H LEU 17 -9.756 -9.273 8.158 137 HA LEU 17 HA LEU 17 -7.212 -10.533 7.608 138 HB2 LEU 17 HB2 LEU 17 -6.830 -9.198 9.666 139 HB3 LEU 17 HB3 LEU 17 -8.087 -10.122 10.465 140 HG LEU 17 HG LEU 17 -6.711 -12.189 10.009 141 HD11 LEU 17 HD11 LEU 17 -4.326 -11.851 9.566 142 HD12 LEU 17 HD12 LEU 17 -4.619 -10.127 9.331 143 HD13 LEU 17 HD13 LEU 17 -5.325 -11.299 8.221 144 HD21 LEU 17 HD21 LEU 17 -5.198 -11.746 11.882 145 HD22 LEU 17 HD22 LEU 17 -6.826 -11.141 12.189 146 HD23 LEU 17 HD23 LEU 17 -5.538 -10.019 11.740 147 HA PRO 18 HA PRO 18 -10.120 -13.883 9.175 148 HB2 PRO 18 HB2 PRO 18 -12.383 -12.991 10.637 149 HB3 PRO 18 HB3 PRO 18 -10.941 -13.779 11.276 150 HG2 PRO 18 HG2 PRO 18 -11.714 -11.146 11.769 151 HG3 PRO 18 HG3 PRO 18 -10.106 -11.826 12.060 152 HD2 PRO 18 HD2 PRO 18 -11.081 -10.163 9.783 153 HD3 PRO 18 HD3 PRO 18 -9.483 -10.198 10.560 154 H HIS 19 H HIS 19 -11.168 -11.151 7.633 155 HA HIS 19 HA HIS 19 -13.743 -12.284 6.804 156 HB2 HIS 19 HB2 HIS 19 -12.730 -9.455 6.463 157 HB3 HIS 19 HB3 HIS 19 -14.357 -10.030 6.112 158 HD2 HIS 19 HD2 HIS 19 -12.385 -8.478 8.925 159 HE1 HIS 19 HE1 HIS 19 -15.886 -10.109 10.652 160 HE2 HIS 19 HE2 HIS 19 -14.002 -8.441 10.956 161 H VAL 20 H VAL 20 -10.664 -12.286 5.761 162 HA VAL 20 HA VAL 20 -11.462 -12.160 2.934 163 HB VAL 20 HB VAL 20 -9.228 -11.318 2.355 164 HG11 VAL 20 HG11 VAL 20 -10.709 -9.619 4.357 165 HG12 VAL 20 HG12 VAL 20 -11.011 -9.710 2.622 166 HG13 VAL 20 HG13 VAL 20 -9.500 -9.024 3.220 167 HG21 VAL 20 HG21 VAL 20 -8.810 -11.080 5.333 168 HG22 VAL 20 HG22 VAL 20 -7.728 -10.459 4.085 169 HG23 VAL 20 HG23 VAL 20 -7.976 -12.198 4.252 170 H SER 21 H SER 21 -9.934 -13.381 1.507 171 HA SER 21 HA SER 21 -9.390 -15.966 2.725 172 HB2 SER 21 HB2 SER 21 -9.214 -15.146 -0.185 173 HB3 SER 21 HB3 SER 21 -9.243 -16.793 0.451 174 HG SER 21 HG SER 21 -11.366 -15.613 1.428 175 H GLU 22 H GLU 22 -7.348 -17.117 2.006 176 HA GLU 22 HA GLU 22 -5.105 -15.652 2.853 177 HB2 GLU 22 HB2 GLU 22 -3.784 -17.589 2.258 178 HB3 GLU 22 HB3 GLU 22 -5.285 -18.111 3.007 179 HG2 GLU 22 HG2 GLU 22 -6.201 -18.738 0.895 180 HG3 GLU 22 HG3 GLU 22 -4.832 -18.032 0.036 181 H SER 23 H SER 23 -6.450 -16.192 -0.319 182 HA SER 23 HA SER 23 -4.299 -15.361 -1.902 183 HB2 SER 23 HB2 SER 23 -6.127 -14.737 -3.547 184 HB3 SER 23 HB3 SER 23 -6.201 -16.391 -2.938 185 HG SER 23 HG SER 23 -7.985 -14.337 -2.640 186 H THR 24 H THR 24 -6.888 -13.551 -0.326 187 HA THR 24 HA THR 24 -6.211 -11.002 -1.314 188 HB THR 24 HB THR 24 -7.495 -11.544 1.363 189 HG1 THR 24 HG1 THR 24 -8.376 -12.176 -1.172 190 HG21 THR 24 HG21 THR 24 -6.959 -9.209 0.873 191 HG22 THR 24 HG22 THR 24 -8.705 -9.464 0.866 192 HG23 THR 24 HG23 THR 24 -7.826 -9.324 -0.657 193 H LYS 25 H LYS 25 -5.195 -12.844 1.516 194 HA LYS 25 HA LYS 25 -3.671 -10.854 2.785 195 HB2 LYS 25 HB2 LYS 25 -3.158 -13.835 2.734 196 HB3 LYS 25 HB3 LYS 25 -2.495 -12.696 3.896 197 HG2 LYS 25 HG2 LYS 25 -4.824 -12.179 4.610 198 HG3 LYS 25 HG3 LYS 25 -5.376 -13.482 3.556 199 HD2 LYS 25 HD2 LYS 25 -5.217 -14.358 5.767 200 HD3 LYS 25 HD3 LYS 25 -3.887 -15.034 4.829 201 HE2 LYS 25 HE2 LYS 25 -3.500 -12.562 6.481 202 HE3 LYS 25 HE3 LYS 25 -3.431 -14.157 7.224 203 HZ1 LYS 25 HZ1 LYS 25 -1.234 -13.446 6.632 204 HZ2 LYS 25 HZ2 LYS 25 -1.688 -13.158 5.026 205 HZ3 LYS 25 HZ3 LYS 25 -1.671 -14.739 5.627 206 H ARG 26 H ARG 26 -2.824 -13.254 0.329 207 HA ARG 26 HA ARG 26 -0.092 -12.701 0.153 208 HB2 ARG 26 HB2 ARG 26 -1.952 -13.621 -2.046 209 HB3 ARG 26 HB3 ARG 26 -0.197 -13.742 -2.073 210 HG2 ARG 26 HG2 ARG 26 -0.295 -15.227 -0.109 211 HG3 ARG 26 HG3 ARG 26 -2.057 -15.139 -0.155 212 HD2 ARG 26 HD2 ARG 26 -1.930 -16.025 -2.503 213 HD3 ARG 26 HD3 ARG 26 -0.213 -16.310 -2.227 214 HE ARG 26 HE ARG 26 -2.009 -17.497 -0.285 215 HH11 ARG 26 HH11 ARG 26 -0.074 -17.948 -3.173 216 HH12 ARG 26 HH12 ARG 26 -0.172 -19.682 -3.105 217 HH21 ARG 26 HH21 ARG 26 -2.121 -19.791 -0.201 218 HH22 ARG 26 HH22 ARG 26 -1.297 -20.718 -1.423 219 H HIS 27 H HIS 27 -2.847 -11.170 -1.462 220 HA HIS 27 HA HIS 27 -1.409 -9.449 -3.153 221 HB2 HIS 27 HB2 HIS 27 -4.122 -9.263 -1.875 222 HB3 HIS 27 HB3 HIS 27 -3.486 -7.923 -2.815 223 HD2 HIS 27 HD2 HIS 27 -5.010 -11.434 -3.296 224 HE1 HIS 27 HE1 HIS 27 -4.296 -9.721 -7.098 225 HE2 HIS 27 HE2 HIS 27 -5.585 -11.490 -5.823 226 H TYR 28 H TYR 28 -2.724 -8.831 0.103 227 HA TYR 28 HA TYR 28 -1.661 -6.241 0.357 228 HB2 TYR 28 HB2 TYR 28 -2.637 -8.268 2.341 229 HB3 TYR 28 HB3 TYR 28 -1.913 -6.760 2.882 230 HD1 TYR 28 HD1 TYR 28 -4.787 -8.246 1.107 231 HD2 TYR 28 HD2 TYR 28 -3.095 -4.687 2.715 232 HE1 TYR 28 HE1 TYR 28 -6.975 -7.133 0.937 233 HE2 TYR 28 HE2 TYR 28 -5.275 -3.566 2.543 234 HH TYR 28 HH TYR 28 -8.192 -5.325 1.616 235 H GLU 29 H GLU 29 -0.345 -9.399 1.287 236 HA GLU 29 HA GLU 29 1.910 -8.343 2.647 237 HB2 GLU 29 HB2 GLU 29 1.335 -11.058 1.473 238 HB3 GLU 29 HB3 GLU 29 2.819 -10.691 2.346 239 HG2 GLU 29 HG2 GLU 29 1.529 -10.128 4.331 240 HG3 GLU 29 HG3 GLU 29 0.032 -10.448 3.457 241 H SER 30 H SER 30 1.359 -9.347 -0.702 242 HA SER 30 HA SER 30 4.025 -8.982 -1.569 243 HB2 SER 30 HB2 SER 30 1.431 -8.753 -3.112 244 HB3 SER 30 HB3 SER 30 3.035 -8.779 -3.848 245 HG SER 30 HG SER 30 1.650 -10.828 -2.503 246 H ALA 31 H ALA 31 1.247 -6.823 -1.333 247 HA ALA 31 HA ALA 31 2.433 -4.501 -2.371 248 HB1 ALA 31 HB1 ALA 31 0.024 -4.727 -1.915 249 HB2 ALA 31 HB2 ALA 31 0.705 -3.293 -1.146 250 HB3 ALA 31 HB3 ALA 31 0.362 -4.731 -0.184 251 H TYR 32 H TYR 32 2.163 -5.689 0.943 252 HA TYR 32 HA TYR 32 3.489 -3.652 2.268 253 HB2 TYR 32 HB2 TYR 32 2.213 -5.241 3.497 254 HB3 TYR 32 HB3 TYR 32 3.168 -6.585 2.887 255 HD1 TYR 32 HD2 TYR 32 3.611 -3.445 4.878 256 HD2 TYR 32 HD1 TYR 32 4.764 -7.495 4.270 257 HE1 TYR 32 HE2 TYR 32 5.052 -3.331 6.867 258 HE2 TYR 32 HE1 TYR 32 6.208 -7.388 6.253 259 HH TYR 32 HH TYR 32 6.047 -4.869 8.517 260 H LYS 33 H LYS 33 4.867 -6.612 0.826 261 HA LYS 33 HA LYS 33 7.464 -6.111 1.873 262 HB2 LYS 33 HB2 LYS 33 8.240 -7.921 0.466 263 HB3 LYS 33 HB3 LYS 33 6.730 -8.372 1.241 264 HG2 LYS 33 HG2 LYS 33 5.554 -7.816 -0.878 265 HG3 LYS 33 HG3 LYS 33 7.131 -7.543 -1.626 266 HD2 LYS 33 HD2 LYS 33 7.766 -9.861 -1.053 267 HD3 LYS 33 HD3 LYS 33 6.151 -10.119 -0.395 268 HE2 LYS 33 HE2 LYS 33 5.215 -9.582 -2.629 269 HE3 LYS 33 HE3 LYS 33 6.861 -9.477 -3.253 270 HZ1 LYS 33 HZ1 LYS 33 7.192 -11.800 -2.551 271 HZ2 LYS 33 HZ2 LYS 33 5.970 -11.644 -3.715 272 HZ3 LYS 33 HZ3 LYS 33 5.562 -11.881 -2.084 273 H HIS 34 H HIS 34 5.861 -5.201 -1.136 274 HA HIS 34 HA HIS 34 8.260 -4.136 -2.302 275 HB2 HIS 34 HB2 HIS 34 5.348 -3.947 -3.005 276 HB3 HIS 34 HB3 HIS 34 6.517 -2.889 -3.786 277 HD1 HIS 34 HD1 HIS 34 8.480 -4.181 -5.169 278 HD2 HIS 34 HD2 HIS 34 5.156 -6.426 -4.056 279 HE1 HIS 34 HE1 HIS 34 8.520 -6.274 -6.589 280 H ILE 35 H ILE 35 5.645 -2.894 -0.321 281 HA ILE 35 HA ILE 35 6.380 -0.172 -0.371 282 HB ILE 35 HB ILE 35 5.036 -1.805 1.788 283 HG12 ILE 35 HG12 ILE 35 3.937 0.237 -0.157 284 HG13 ILE 35 HG13 ILE 35 3.808 -1.511 -0.344 285 HG21 ILE 35 HG21 ILE 35 5.414 1.183 1.667 286 HG22 ILE 35 HG22 ILE 35 6.155 0.082 2.828 287 HG23 ILE 35 HG23 ILE 35 4.409 0.324 2.834 288 HD11 ILE 35 HD11 ILE 35 2.626 0.111 1.900 289 HD12 ILE 35 HD12 ILE 35 2.477 -1.634 1.689 290 HD13 ILE 35 HD13 ILE 35 1.750 -0.539 0.515 291 H LYS 36 H LYS 36 7.299 -2.825 1.799 292 HA LYS 36 HA LYS 36 9.174 -1.386 3.334 293 HB2 LYS 36 HB2 LYS 36 8.259 -3.552 4.023 294 HB3 LYS 36 HB3 LYS 36 9.060 -4.338 2.674 295 HG2 LYS 36 HG2 LYS 36 11.232 -3.794 3.626 296 HG3 LYS 36 HG3 LYS 36 10.445 -2.966 4.970 297 HD2 LYS 36 HD2 LYS 36 10.138 -5.892 4.295 298 HD3 LYS 36 HD3 LYS 36 11.163 -5.240 5.574 299 HE2 LYS 36 HE2 LYS 36 9.165 -4.267 6.637 300 HE3 LYS 36 HE3 LYS 36 8.165 -4.987 5.380 301 HZ1 LYS 36 HZ1 LYS 36 9.880 -6.528 7.257 302 HZ2 LYS 36 HZ2 LYS 36 8.797 -7.168 6.115 303 HZ3 LYS 36 HZ3 LYS 36 8.211 -6.291 7.440 304 H ASP 37 H ASP 37 9.338 -2.842 0.195 305 HA ASP 37 HA ASP 37 12.163 -3.004 -0.035 306 HB2 ASP 37 HB2 ASP 37 10.695 -4.335 -1.453 307 HB3 ASP 37 HB3 ASP 37 10.006 -2.875 -2.152 308 H HIS 38 H HIS 38 9.773 -0.578 -1.015 309 HA HIS 38 HA HIS 38 11.871 1.175 -2.006 310 HB2 HIS 38 HB2 HIS 38 8.874 1.309 -1.995 311 HB3 HIS 38 HB3 HIS 38 9.821 2.761 -2.299 312 HD1 HIS 38 HD1 HIS 38 10.269 3.179 -4.691 313 HD2 HIS 38 HD2 HIS 38 9.754 -0.876 -3.899 314 HE1 HIS 38 HE1 HIS 38 10.402 2.025 -6.923 315 HE2 HIS 38 HE2 HIS 38 10.304 -0.438 -6.396 316 H PHE 39 H PHE 39 9.459 1.181 0.588 317 HA PHE 39 HA PHE 39 10.966 3.356 1.893 318 HB2 PHE 39 HB2 PHE 39 8.053 2.661 2.324 319 HB3 PHE 39 HB3 PHE 39 8.911 4.069 2.938 320 HD1 PHE 39 HD2 PHE 39 9.768 5.770 1.254 321 HD2 PHE 39 HD1 PHE 39 6.972 2.719 0.264 322 HE1 PHE 39 HE2 PHE 39 9.100 7.036 -0.745 323 HE2 PHE 39 HE1 PHE 39 6.298 3.979 -1.740 324 HZ PHE 39 HZ PHE 39 7.362 6.142 -2.246 325 H ARG 40 H ARG 40 12.369 1.833 2.880 326 HA ARG 40 HA ARG 40 11.545 -0.525 4.127 327 HB2 ARG 40 HB2 ARG 40 14.013 1.138 4.639 328 HB3 ARG 40 HB3 ARG 40 13.772 -0.503 5.228 329 HG2 ARG 40 HG2 ARG 40 13.432 -1.140 2.778 330 HG3 ARG 40 HG3 ARG 40 14.110 0.445 2.408 331 HD2 ARG 40 HD2 ARG 40 15.471 -1.658 4.080 332 HD3 ARG 40 HD3 ARG 40 15.775 -1.386 2.365 333 HE ARG 40 HE ARG 40 16.181 0.834 4.231 334 HH11 ARG 40 HH11 ARG 40 17.454 -1.533 2.008 335 HH12 ARG 40 HH12 ARG 40 19.063 -0.869 2.003 336 HH21 ARG 40 HH21 ARG 40 18.298 1.734 4.239 337 HH22 ARG 40 HH22 ARG 40 19.541 0.990 3.283 338 H HIS 41 H HIS 41 12.051 2.699 5.486 339 HA HIS 41 HA HIS 41 10.083 2.102 7.483 340 HB2 HIS 41 HB2 HIS 41 11.426 2.665 9.449 341 HB3 HIS 41 HB3 HIS 41 12.057 1.242 8.639 342 HD1 HIS 41 HD1 HIS 41 13.867 2.651 10.550 343 HD2 HIS 41 HD2 HIS 41 13.636 3.677 6.535 344 HE1 HIS 41 HE1 HIS 41 16.055 3.770 10.017 345 HE2 HIS 41 HE2 HIS 41 15.971 4.218 7.539 346 H LYS 42 H LYS 42 9.577 3.719 5.628 347 HA LYS 42 HA LYS 42 10.272 6.464 6.324 348 HB2 LYS 42 HB2 LYS 42 9.975 5.439 3.937 349 HB3 LYS 42 HB3 LYS 42 8.259 5.629 4.250 350 HG2 LYS 42 HG2 LYS 42 8.444 7.678 3.435 351 HG3 LYS 42 HG3 LYS 42 9.351 8.101 4.891 352 HD2 LYS 42 HD2 LYS 42 10.602 6.957 2.396 353 HD3 LYS 42 HD3 LYS 42 10.485 8.684 2.731 354 HE2 LYS 42 HE2 LYS 42 11.734 6.833 4.721 355 HE3 LYS 42 HE3 LYS 42 12.664 7.407 3.337 356 HZ1 LYS 42 HZ1 LYS 42 11.300 9.168 5.311 357 HZ2 LYS 42 HZ2 LYS 42 12.309 9.662 4.043 358 HZ3 LYS 42 HZ3 LYS 42 12.953 8.780 5.337 359 H LEU 43 H LEU 43 8.763 7.928 7.200 360 HA LEU 43 HA LEU 43 6.784 6.775 8.886 361 HB2 LEU 43 HB2 LEU 43 7.205 9.676 8.164 362 HB3 LEU 43 HB3 LEU 43 6.208 9.086 9.477 363 HG LEU 43 HG LEU 43 9.205 8.771 9.283 364 HD11 LEU 43 HD11 LEU 43 8.521 11.078 9.685 365 HD12 LEU 43 HD12 LEU 43 9.255 10.378 11.129 366 HD13 LEU 43 HD13 LEU 43 7.503 10.551 11.025 367 HD21 LEU 43 HD21 LEU 43 8.110 6.914 10.466 368 HD22 LEU 43 HD22 LEU 43 7.303 8.074 11.522 369 HD23 LEU 43 HD23 LEU 43 9.059 7.922 11.560 370 H LEU 44 H LEU 44 4.495 7.392 8.918 371 HA LEU 44 HA LEU 44 3.203 6.730 6.538 372 HB2 LEU 44 HB2 LEU 44 2.202 6.402 8.730 373 HB3 LEU 44 HB3 LEU 44 2.121 8.135 8.977 374 HG LEU 44 HG LEU 44 0.498 8.326 7.140 375 HD11 LEU 44 HD11 LEU 44 0.673 5.318 7.043 376 HD12 LEU 44 HD12 LEU 44 1.231 6.431 5.794 377 HD13 LEU 44 HD13 LEU 44 -0.489 6.314 6.166 378 HD21 LEU 44 HD21 LEU 44 -0.262 6.268 9.206 379 HD22 LEU 44 HD22 LEU 44 -1.380 7.255 8.264 380 HD23 LEU 44 HD23 LEU 44 -0.297 8.017 9.431 381 H LYS 45 H LYS 45 3.745 9.915 8.000 382 HA LYS 45 HA LYS 45 2.465 11.206 5.711 383 HB2 LYS 45 HB2 LYS 45 2.657 13.272 6.959 384 HB3 LYS 45 HB3 LYS 45 1.974 12.030 7.997 385 HG2 LYS 45 HG2 LYS 45 3.897 11.855 9.277 386 HG3 LYS 45 HG3 LYS 45 4.911 12.590 8.032 387 HD2 LYS 45 HD2 LYS 45 3.657 14.727 8.390 388 HD3 LYS 45 HD3 LYS 45 2.849 13.960 9.756 389 HE2 LYS 45 HE2 LYS 45 4.856 13.767 10.967 390 HE3 LYS 45 HE3 LYS 45 5.839 14.111 9.544 391 HZ1 LYS 45 HZ1 LYS 45 5.701 16.005 11.069 392 HZ2 LYS 45 HZ2 LYS 45 4.017 16.057 10.862 393 HZ3 LYS 45 HZ3 LYS 45 5.046 16.364 9.554 394 H ASP 46 H ASP 46 5.177 9.781 5.855 395 HA ASP 46 HA ASP 46 6.921 11.997 5.008 396 HB2 ASP 46 HB2 ASP 46 7.550 10.488 6.964 397 HB3 ASP 46 HB3 ASP 46 7.754 9.199 5.787 398 H ILE 47 H ILE 47 4.868 9.964 3.682 399 HA ILE 47 HA ILE 47 6.526 9.004 1.485 400 HB ILE 47 HB ILE 47 3.540 8.668 1.820 401 HG12 ILE 47 HG12 ILE 47 4.741 7.697 3.759 402 HG13 ILE 47 HG13 ILE 47 3.976 6.464 2.762 403 HG21 ILE 47 HG21 ILE 47 3.847 6.788 0.277 404 HG22 ILE 47 HG22 ILE 47 5.567 7.167 0.166 405 HG23 ILE 47 HG23 ILE 47 4.370 8.314 -0.438 406 HD11 ILE 47 HD11 ILE 47 6.149 5.986 1.729 407 HD12 ILE 47 HD12 ILE 47 6.164 5.746 3.476 408 HD13 ILE 47 HD13 ILE 47 6.896 7.192 2.778 409 H LYS 48 H LYS 48 6.963 10.497 -0.019 410 HA LYS 48 HA LYS 48 5.233 12.706 -0.580 411 HB2 LYS 48 HB2 LYS 48 7.572 11.666 -2.182 412 HB3 LYS 48 HB3 LYS 48 6.818 13.240 -2.355 413 HG2 LYS 48 HG2 LYS 48 7.617 13.934 -0.212 414 HG3 LYS 48 HG3 LYS 48 8.205 12.306 0.146 415 HD2 LYS 48 HD2 LYS 48 9.749 12.481 -1.770 416 HD3 LYS 48 HD3 LYS 48 9.203 14.137 -2.034 417 HE2 LYS 48 HE2 LYS 48 10.091 14.836 0.068 418 HE3 LYS 48 HE3 LYS 48 10.435 13.170 0.539 419 HZ1 LYS 48 HZ1 LYS 48 11.701 14.599 -1.738 420 HZ2 LYS 48 HZ2 LYS 48 12.056 13.024 -1.222 421 HZ3 LYS 48 HZ3 LYS 48 12.426 14.343 -0.228 422 H ARG 49 H ARG 49 4.073 13.097 -2.496 423 HA ARG 49 HA ARG 49 2.686 10.861 -3.546 424 HB2 ARG 49 HB2 ARG 49 1.628 12.524 -5.058 425 HB3 ARG 49 HB3 ARG 49 1.596 13.016 -3.369 426 HG2 ARG 49 HG2 ARG 49 3.646 14.390 -3.851 427 HG3 ARG 49 HG3 ARG 49 3.372 14.049 -5.559 428 HD2 ARG 49 HD2 ARG 49 1.159 15.072 -5.409 429 HD3 ARG 49 HD3 ARG 49 1.426 15.403 -3.696 430 HE ARG 49 HE ARG 49 3.207 16.539 -5.756 431 HH11 ARG 49 HH11 ARG 49 0.966 16.971 -3.092 432 HH12 ARG 49 HH12 ARG 49 1.331 18.660 -2.896 433 HH21 ARG 49 HH21 ARG 49 3.704 18.744 -5.473 434 HH22 ARG 49 HH22 ARG 49 2.863 19.667 -4.264 435 H THR 50 H THR 50 5.397 12.772 -4.676 436 HA THR 50 HA THR 50 5.467 11.693 -7.301 437 HB THR 50 HB THR 50 7.876 12.569 -7.235 438 HG1 THR 50 HG1 THR 50 8.582 13.303 -5.377 439 HG21 THR 50 HG21 THR 50 7.102 14.915 -7.347 440 HG22 THR 50 HG22 THR 50 5.554 14.417 -6.661 441 HG23 THR 50 HG23 THR 50 6.052 13.818 -8.244 442 H GLU 51 H GLU 51 6.903 10.741 -4.232 443 HA GLU 51 HA GLU 51 8.631 8.752 -5.292 444 HB2 GLU 51 HB2 GLU 51 7.365 8.814 -2.544 445 HB3 GLU 51 HB3 GLU 51 8.803 7.920 -3.015 446 HG2 GLU 51 HG2 GLU 51 8.537 10.915 -2.924 447 HG3 GLU 51 HG3 GLU 51 9.349 9.909 -1.727 448 H TYR 52 H TYR 52 5.321 8.809 -4.167 449 HA TYR 52 HA TYR 52 4.752 6.063 -4.298 450 HB2 TYR 52 HB2 TYR 52 3.332 7.802 -3.205 451 HB3 TYR 52 HB3 TYR 52 2.866 8.374 -4.801 452 HD1 TYR 52 HD2 TYR 52 3.149 4.939 -3.349 453 HD2 TYR 52 HD1 TYR 52 0.646 7.860 -5.159 454 HE1 TYR 52 HE2 TYR 52 1.291 3.333 -3.364 455 HE2 TYR 52 HE1 TYR 52 -1.220 6.260 -5.177 456 HH TYR 52 HH TYR 52 -1.659 3.934 -5.067 457 H GLN 53 H GLN 53 4.706 8.606 -6.733 458 HA GLN 53 HA GLN 53 3.579 7.157 -8.857 459 HB2 GLN 53 HB2 GLN 53 3.937 9.577 -8.967 460 HB3 GLN 53 HB3 GLN 53 5.678 9.334 -8.932 461 HG2 GLN 53 HG2 GLN 53 5.023 9.798 -11.184 462 HG3 GLN 53 HG3 GLN 53 5.506 8.108 -11.080 463 HE21 GLN 53 HE21 GLN 53 2.448 9.308 -9.893 464 HE22 GLN 53 HE22 GLN 53 1.466 8.522 -11.074 465 H LYS 54 H LYS 54 6.943 7.453 -7.761 466 HA LYS 54 HA LYS 54 8.106 5.918 -9.830 467 HB2 LYS 54 HB2 LYS 54 9.139 6.163 -7.002 468 HB3 LYS 54 HB3 LYS 54 10.074 5.842 -8.456 469 HG2 LYS 54 HG2 LYS 54 9.589 8.083 -9.274 470 HG3 LYS 54 HG3 LYS 54 8.627 8.408 -7.831 471 HD2 LYS 54 HD2 LYS 54 10.721 7.883 -6.494 472 HD3 LYS 54 HD3 LYS 54 11.592 7.944 -8.027 473 HE2 LYS 54 HE2 LYS 54 9.989 10.168 -6.775 474 HE3 LYS 54 HE3 LYS 54 11.743 10.081 -6.909 475 HZ1 LYS 54 HZ1 LYS 54 10.763 11.522 -8.592 476 HZ2 LYS 54 HZ2 LYS 54 9.856 10.223 -9.198 477 HZ3 LYS 54 HZ3 LYS 54 11.551 10.194 -9.300 478 H PHE 55 H PHE 55 6.766 5.107 -6.695 479 HA PHE 55 HA PHE 55 7.507 2.395 -6.605 480 HB2 PHE 55 HB2 PHE 55 6.740 3.570 -4.624 481 HB3 PHE 55 HB3 PHE 55 5.167 3.857 -5.357 482 HD1 PHE 55 HD2 PHE 55 7.429 1.071 -4.373 483 HD2 PHE 55 HD1 PHE 55 3.432 2.433 -4.872 484 HE1 PHE 55 HE2 PHE 55 6.600 -1.018 -3.382 485 HE2 PHE 55 HE1 PHE 55 2.592 0.348 -3.874 486 HZ PHE 55 HZ PHE 55 4.179 -1.383 -3.129 487 H LEU 56 H LEU 56 4.506 3.962 -7.723 488 HA LEU 56 HA LEU 56 3.232 1.571 -8.541 489 HB2 LEU 56 HB2 LEU 56 2.815 4.432 -9.407 490 HB3 LEU 56 HB3 LEU 56 1.776 3.107 -9.892 491 HG LEU 56 HG LEU 56 2.194 4.064 -7.056 492 HD11 LEU 56 HD11 LEU 56 -0.134 4.812 -7.232 493 HD12 LEU 56 HD12 LEU 56 -0.150 4.338 -8.932 494 HD13 LEU 56 HD13 LEU 56 0.910 5.637 -8.388 495 HD21 LEU 56 HD21 LEU 56 1.769 1.662 -7.154 496 HD22 LEU 56 HD22 LEU 56 0.352 1.946 -8.165 497 HD23 LEU 56 HD23 LEU 56 0.377 2.523 -6.497 498 H ASN 57 H ASN 57 5.288 3.889 -10.215 499 HA ASN 57 HA ASN 57 4.945 3.011 -12.838 500 HB2 ASN 57 HB2 ASN 57 6.260 5.042 -11.854 501 HB3 ASN 57 HB3 ASN 57 7.622 3.931 -11.833 502 HD21 ASN 57 HD21 ASN 57 7.163 6.379 -13.348 503 HD22 ASN 57 HD22 ASN 57 7.332 5.953 -15.011 504 H GLU 58 H GLU 58 7.378 2.013 -10.441 505 HA GLU 58 HA GLU 58 8.604 0.071 -12.099 506 HB2 GLU 58 HB2 GLU 58 9.763 1.022 -10.182 507 HB3 GLU 58 HB3 GLU 58 8.568 0.343 -9.089 508 HG2 GLU 58 HG2 GLU 58 9.267 -1.912 -9.726 509 HG3 GLU 58 HG3 GLU 58 10.473 -1.226 -10.812 510 H TYR 59 H TYR 59 5.999 -0.084 -9.728 511 HA TYR 59 HA TYR 59 5.844 -2.908 -9.609 512 HB2 TYR 59 HB2 TYR 59 4.877 -1.235 -7.949 513 HB3 TYR 59 HB3 TYR 59 3.562 -1.001 -9.095 514 HD1 TYR 59 HD2 TYR 59 1.926 -2.769 -9.486 515 HD2 TYR 59 HD1 TYR 59 5.078 -3.284 -6.676 516 HE1 TYR 59 HE2 TYR 59 0.745 -4.696 -8.523 517 HE2 TYR 59 HE1 TYR 59 3.907 -5.215 -5.708 518 HH TYR 59 HH TYR 59 1.534 -6.061 -5.570 519 H GLY 60 H GLY 60 4.375 -0.492 -11.694 520 HA2 GLY 60 HA2 GLY 60 2.533 -2.321 -12.929 521 HA3 GLY 60 HA3 GLY 60 2.912 -0.692 -13.470 522 H LEU 61 H LEU 61 5.858 -1.752 -13.299 523 HA LEU 61 HA LEU 61 5.933 -2.710 -16.047 524 HB2 LEU 61 HB2 LEU 61 8.168 -2.058 -14.122 525 HB3 LEU 61 HB3 LEU 61 8.378 -2.479 -15.809 526 HG LEU 61 HG LEU 61 6.939 -0.023 -14.805 527 HD11 LEU 61 HD11 LEU 61 9.314 0.112 -14.357 528 HD12 LEU 61 HD12 LEU 61 8.887 1.186 -15.689 529 HD13 LEU 61 HD13 LEU 61 9.678 -0.355 -16.019 530 HD21 LEU 61 HD21 LEU 61 6.070 -0.818 -16.939 531 HD22 LEU 61 HD22 LEU 61 7.706 -0.871 -17.596 532 HD23 LEU 61 HD23 LEU 61 6.985 0.675 -17.148 533 H THR 62 H THR 62 5.835 -3.995 -12.940 534 HA THR 62 HA THR 62 7.222 -6.450 -13.786 535 HB THR 62 HB THR 62 7.402 -6.854 -11.257 536 HG1 THR 62 HG1 THR 62 7.256 -4.047 -11.031 537 HG21 THR 62 HG21 THR 62 9.435 -5.505 -11.092 538 HG22 THR 62 HG22 THR 62 8.927 -4.554 -12.489 539 HG23 THR 62 HG23 THR 62 9.312 -6.265 -12.679 540 H HIS 63 H HIS 63 4.239 -5.136 -12.599 541 HA HIS 63 HA HIS 63 3.151 -7.863 -12.374 542 HB2 HIS 63 HB2 HIS 63 2.560 -5.506 -10.575 543 HB3 HIS 63 HB3 HIS 63 1.675 -7.027 -10.545 544 HD1 HIS 63 HD1 HIS 63 5.167 -5.682 -9.900 545 HD2 HIS 63 HD2 HIS 63 2.803 -8.984 -8.988 546 HE1 HIS 63 HE1 HIS 63 6.470 -6.998 -8.201 547 HE2 HIS 63 HE2 HIS 63 5.098 -9.073 -7.790 548 H SER 64 H SER 64 0.788 -7.959 -12.651 549 HA SER 64 HA SER 64 0.096 -6.706 -15.092 550 HB2 SER 64 HB2 SER 64 -1.689 -8.256 -13.207 551 HB3 SER 64 HB3 SER 64 -1.973 -7.964 -14.924 552 HG SER 64 HG SER 64 -0.178 -9.225 -15.403 553 H TYR 65 H TYR 65 -2.040 -5.640 -15.444 554 HA TYR 65 HA TYR 65 -2.071 -3.165 -14.163 555 HB2 TYR 65 HB2 TYR 65 -2.924 -3.490 -16.427 556 HB3 TYR 65 HB3 TYR 65 -4.246 -4.470 -15.805 557 HD1 TYR 65 HD1 TYR 65 -2.789 -1.044 -15.530 558 HD2 TYR 65 HD2 TYR 65 -6.278 -3.471 -15.318 559 HE1 TYR 65 HE1 TYR 65 -4.173 0.977 -15.307 560 HE2 TYR 65 HE2 TYR 65 -7.669 -1.461 -15.090 561 HH TYR 65 HH TYR 65 -7.528 0.842 -14.479 562 H GLU 66 H GLU 66 -4.219 -5.977 -13.666 563 HA GLU 66 HA GLU 66 -5.822 -4.601 -11.768 564 HB2 GLU 66 HB2 GLU 66 -5.541 -7.451 -12.583 565 HB3 GLU 66 HB3 GLU 66 -6.364 -7.083 -11.072 566 HG2 GLU 66 HG2 GLU 66 -7.752 -5.444 -12.447 567 HG3 GLU 66 HG3 GLU 66 -7.120 -6.298 -13.858 568 H THR 67 H THR 67 -2.849 -6.382 -11.571 569 HA THR 67 HA THR 67 -2.820 -6.815 -8.782 570 HB THR 67 HB THR 67 -0.321 -6.361 -10.387 571 HG1 THR 67 HG1 THR 67 -0.738 -8.792 -10.820 572 HG21 THR 67 HG21 THR 67 -1.091 -8.356 -8.250 573 HG22 THR 67 HG22 THR 67 -0.105 -6.911 -8.014 574 HG23 THR 67 HG23 THR 67 0.492 -8.232 -9.017 575 H ILE 68 H ILE 68 -1.413 -4.252 -10.828 576 HA ILE 68 HA ILE 68 -0.502 -2.714 -8.608 577 HB ILE 68 HB ILE 68 0.571 -2.462 -10.780 578 HG12 ILE 68 HG12 ILE 68 -0.822 0.059 -9.859 579 HG13 ILE 68 HG13 ILE 68 0.689 -0.584 -9.227 580 HG21 ILE 68 HG21 ILE 68 -0.533 -1.272 -12.623 581 HG22 ILE 68 HG22 ILE 68 -2.044 -1.295 -11.713 582 HG23 ILE 68 HG23 ILE 68 -1.315 -2.808 -12.250 583 HD11 ILE 68 HD11 ILE 68 1.748 -0.215 -11.391 584 HD12 ILE 68 HD12 ILE 68 1.077 1.276 -10.731 585 HD13 ILE 68 HD13 ILE 68 0.232 0.426 -12.024 586 H ARG 69 H ARG 69 -3.457 -2.747 -10.541 587 HA ARG 69 HA ARG 69 -4.585 -0.387 -9.487 588 HB2 ARG 69 HB2 ARG 69 -5.491 -1.522 -11.488 589 HB3 ARG 69 HB3 ARG 69 -6.031 -2.855 -10.476 590 HG2 ARG 69 HG2 ARG 69 -7.622 -1.486 -9.365 591 HG3 ARG 69 HG3 ARG 69 -6.949 -0.020 -10.077 592 HD2 ARG 69 HD2 ARG 69 -8.952 -0.513 -11.244 593 HD3 ARG 69 HD3 ARG 69 -7.613 -0.906 -12.317 594 HE ARG 69 HE ARG 69 -8.541 -3.172 -10.821 595 HH11 ARG 69 HH11 ARG 69 -9.160 -1.172 -13.626 596 HH12 ARG 69 HH12 ARG 69 -9.955 -2.435 -14.518 597 HH21 ARG 69 HH21 ARG 69 -9.632 -4.835 -11.978 598 HH22 ARG 69 HH22 ARG 69 -10.241 -4.511 -13.575 599 H LYS 70 H LYS 70 -4.791 -3.776 -8.470 600 HA LYS 70 HA LYS 70 -6.483 -3.398 -6.261 601 HB2 LYS 70 HB2 LYS 70 -5.098 -5.546 -7.428 602 HB3 LYS 70 HB3 LYS 70 -4.497 -5.452 -5.779 603 HG2 LYS 70 HG2 LYS 70 -6.318 -6.941 -5.738 604 HG3 LYS 70 HG3 LYS 70 -6.894 -5.436 -5.020 605 HD2 LYS 70 HD2 LYS 70 -8.620 -6.126 -6.462 606 HD3 LYS 70 HD3 LYS 70 -7.772 -4.858 -7.342 607 HE2 LYS 70 HE2 LYS 70 -6.628 -6.469 -8.689 608 HE3 LYS 70 HE3 LYS 70 -7.232 -7.799 -7.699 609 HZ1 LYS 70 HZ1 LYS 70 -9.473 -7.283 -8.420 610 HZ2 LYS 70 HZ2 LYS 70 -8.482 -7.589 -9.761 611 HZ3 LYS 70 HZ3 LYS 70 -8.903 -5.997 -9.364 612 H LEU 71 H LEU 71 -2.948 -3.478 -6.521 613 HA LEU 71 HA LEU 71 -2.208 -2.918 -3.920 614 HB2 LEU 71 HB2 LEU 71 -0.534 -3.420 -5.534 615 HB3 LEU 71 HB3 LEU 71 -1.014 -2.080 -6.558 616 HG LEU 71 HG LEU 71 -0.227 -0.531 -4.729 617 HD11 LEU 71 HD11 LEU 71 1.001 -3.063 -3.662 618 HD12 LEU 71 HD12 LEU 71 -0.289 -2.137 -2.895 619 HD13 LEU 71 HD13 LEU 71 1.317 -1.427 -3.080 620 HD21 LEU 71 HD21 LEU 71 1.798 -2.373 -5.984 621 HD22 LEU 71 HD22 LEU 71 2.134 -0.775 -5.318 622 HD23 LEU 71 HD23 LEU 71 1.087 -0.942 -6.729 623 H ASN 72 H ASN 72 -2.764 -0.575 -6.530 624 HA ASN 72 HA ASN 72 -2.415 1.767 -5.078 625 HB2 ASN 72 HB2 ASN 72 -2.604 1.553 -7.572 626 HB3 ASN 72 HB3 ASN 72 -4.342 1.352 -7.378 627 HD21 ASN 72 HD21 ASN 72 -4.786 3.183 -8.590 628 HD22 ASN 72 HD22 ASN 72 -4.498 4.777 -7.995 629 H SER 73 H SER 73 -5.292 -0.224 -5.516 630 HA SER 73 HA SER 73 -7.139 1.512 -4.283 631 HB2 SER 73 HB2 SER 73 -7.202 -1.512 -4.464 632 HB3 SER 73 HB3 SER 73 -8.581 -0.472 -4.101 633 HG SER 73 HG SER 73 -7.050 -0.364 -6.496 634 H TYR 74 H TYR 74 -5.060 -1.056 -2.986 635 HA TYR 74 HA TYR 74 -6.126 -1.041 -0.366 636 HB2 TYR 74 HB2 TYR 74 -3.314 -1.742 -1.228 637 HB3 TYR 74 HB3 TYR 74 -4.056 -2.164 0.308 638 HD1 TYR 74 HD2 TYR 74 -6.772 -3.015 -0.757 639 HD2 TYR 74 HD1 TYR 74 -2.815 -3.859 -2.061 640 HE1 TYR 74 HE2 TYR 74 -7.551 -5.134 -1.732 641 HE2 TYR 74 HE1 TYR 74 -3.576 -5.974 -3.041 642 HH TYR 74 HH TYR 74 -5.353 -7.536 -2.918 643 H ILE 75 H ILE 75 -3.331 0.607 -1.788 644 HA ILE 75 HA ILE 75 -2.507 1.841 0.621 645 HB ILE 75 HB ILE 75 -1.891 2.630 -2.229 646 HG12 ILE 75 HG12 ILE 75 -0.375 0.909 -0.250 647 HG13 ILE 75 HG13 ILE 75 -1.229 0.328 -1.675 648 HG21 ILE 75 HG21 ILE 75 -1.468 4.454 -0.648 649 HG22 ILE 75 HG22 ILE 75 0.033 3.802 -1.302 650 HG23 ILE 75 HG23 ILE 75 -0.476 3.374 0.331 651 HD11 ILE 75 HD11 ILE 75 0.317 1.519 -3.109 652 HD12 ILE 75 HD12 ILE 75 1.183 0.437 -2.019 653 HD13 ILE 75 HD13 ILE 75 1.148 2.171 -1.698 654 H ARG 76 H ARG 76 -4.521 2.976 -2.077 655 HA ARG 76 HA ARG 76 -4.935 5.585 -1.101 656 HB2 ARG 76 HB2 ARG 76 -6.715 3.837 -2.804 657 HB3 ARG 76 HB3 ARG 76 -7.057 5.524 -2.452 658 HG2 ARG 76 HG2 ARG 76 -4.942 6.159 -3.525 659 HG3 ARG 76 HG3 ARG 76 -4.653 4.463 -3.917 660 HD2 ARG 76 HD2 ARG 76 -5.569 5.585 -5.843 661 HD3 ARG 76 HD3 ARG 76 -6.751 4.439 -5.214 662 HE ARG 76 HE ARG 76 -7.725 6.513 -4.063 663 HH11 ARG 76 HH11 ARG 76 -6.115 6.551 -7.169 664 HH12 ARG 76 HH12 ARG 76 -7.019 7.899 -7.776 665 HH21 ARG 76 HH21 ARG 76 -8.912 8.288 -4.834 666 HH22 ARG 76 HH22 ARG 76 -8.611 8.908 -6.437 667 H ASN 77 H ASN 77 -6.695 2.569 -0.552 668 HA ASN 77 HA ASN 77 -8.777 3.610 1.010 669 HB2 ASN 77 HB2 ASN 77 -8.671 1.311 0.001 670 HB3 ASN 77 HB3 ASN 77 -7.523 0.865 1.255 671 HD21 ASN 77 HD21 ASN 77 -10.243 2.990 1.811 672 HD22 ASN 77 HD22 ASN 77 -11.117 1.895 2.829 673 H ALA 78 H ALA 78 -5.512 2.615 1.830 674 HA ALA 78 HA ALA 78 -5.833 2.773 4.656 675 HB1 ALA 78 HB1 ALA 78 -3.398 2.625 4.738 676 HB2 ALA 78 HB2 ALA 78 -3.317 2.893 2.996 677 HB3 ALA 78 HB3 ALA 78 -4.074 1.431 3.629 678 H PHE 79 H PHE 79 -4.279 4.963 2.291 679 HA PHE 79 HA PHE 79 -3.704 6.975 4.203 680 HB2 PHE 79 HB2 PHE 79 -3.705 6.863 1.220 681 HB3 PHE 79 HB3 PHE 79 -3.636 8.436 2.008 682 HD1 PHE 79 HD1 PHE 79 -1.811 8.777 3.772 683 HD2 PHE 79 HD2 PHE 79 -1.765 5.631 0.910 684 HE1 PHE 79 HE1 PHE 79 0.615 8.528 4.093 685 HE2 PHE 79 HE2 PHE 79 0.660 5.372 1.227 686 HZ PHE 79 HZ PHE 79 1.854 6.821 2.822 687 H ASP 80 H ASP 80 -6.465 6.377 2.124 688 HA ASP 80 HA ASP 80 -7.762 8.848 2.541 689 HB2 ASP 80 HB2 ASP 80 -8.371 7.179 0.778 690 HB3 ASP 80 HB3 ASP 80 -9.063 6.165 2.037 691 H ASP 81 H ASP 81 -7.741 5.808 4.341 692 HA ASP 81 HA ASP 81 -9.715 6.650 6.217 693 HB2 ASP 81 HB2 ASP 81 -8.988 4.244 5.774 694 HB3 ASP 81 HB3 ASP 81 -7.574 4.598 6.764 695 H ALA 82 H ALA 82 -6.227 6.889 6.034 696 HA ALA 82 HA ALA 82 -5.781 7.886 8.639 697 HB1 ALA 82 HB1 ALA 82 -3.627 8.633 7.791 698 HB2 ALA 82 HB2 ALA 82 -4.176 8.388 6.134 699 HB3 ALA 82 HB3 ALA 82 -3.987 7.005 7.214 700 H ILE 83 H ILE 83 -6.404 9.500 5.538 701 HA ILE 83 HA ILE 83 -6.120 12.126 6.536 702 HB ILE 83 HB ILE 83 -6.078 11.422 4.097 703 HG12 ILE 83 HG12 ILE 83 -7.760 13.826 4.835 704 HG13 ILE 83 HG13 ILE 83 -6.002 13.767 4.899 705 HG21 ILE 83 HG21 ILE 83 -8.185 11.564 2.862 706 HG22 ILE 83 HG22 ILE 83 -9.062 11.713 4.385 707 HG23 ILE 83 HG23 ILE 83 -8.193 10.226 4.011 708 HD11 ILE 83 HD11 ILE 83 -5.917 13.432 2.488 709 HD12 ILE 83 HD12 ILE 83 -6.788 14.909 2.903 710 HD13 ILE 83 HD13 ILE 83 -7.679 13.466 2.418 711 H HIS 84 H HIS 84 -8.813 9.887 6.530 712 HA HIS 84 HA HIS 84 -10.943 11.568 7.142 713 HB2 HIS 84 HB2 HIS 84 -10.345 8.849 8.344 714 HB3 HIS 84 HB3 HIS 84 -11.883 9.680 8.475 715 HD1 HIS 84 HD1 HIS 84 -11.336 6.848 7.149 716 HD2 HIS 84 HD2 HIS 84 -11.933 10.448 5.148 717 HE1 HIS 84 HE1 HIS 84 -12.169 6.222 4.863 718 HE2 HIS 84 HE2 HIS 84 -12.285 8.396 3.605 719 H GLU 85 H GLU 85 -8.258 10.507 9.108 720 HA GLU 85 HA GLU 85 -9.427 11.663 11.529 721 HB2 GLU 85 HB2 GLU 85 -6.879 10.097 11.087 722 HB3 GLU 85 HB3 GLU 85 -7.437 10.675 12.651 723 HG2 GLU 85 HG2 GLU 85 -8.892 8.722 10.884 724 HG3 GLU 85 HG3 GLU 85 -7.933 8.306 12.304 725 H GLY 86 H GLY 86 -7.394 12.563 8.996 726 HA2 GLY 86 HA2 GLY 86 -6.162 14.522 8.705 727 HA3 GLY 86 HA3 GLY 86 -6.417 14.901 10.406 728 H TYR 87 H TYR 87 -5.351 11.754 9.643 729 HA TYR 87 HA TYR 87 -3.066 11.879 11.270 730 HB2 TYR 87 HB2 TYR 87 -4.528 9.871 10.306 731 HB3 TYR 87 HB3 TYR 87 -3.274 9.857 9.077 732 HD1 TYR 87 HD2 TYR 87 -0.862 10.450 10.717 733 HD2 TYR 87 HD1 TYR 87 -4.195 7.924 11.496 734 HE1 TYR 87 HE2 TYR 87 0.537 9.059 12.185 735 HE2 TYR 87 HE1 TYR 87 -2.804 6.526 12.961 736 HH TYR 87 HH TYR 87 -0.535 6.007 13.393 737 H VAL 88 H VAL 88 -3.538 12.210 7.803 738 HA VAL 88 HA VAL 88 -0.772 13.162 7.565 739 HB VAL 88 HB VAL 88 -0.618 12.161 5.311 740 HG11 VAL 88 HG11 VAL 88 0.384 10.998 7.186 741 HG12 VAL 88 HG12 VAL 88 -0.266 9.840 6.024 742 HG13 VAL 88 HG13 VAL 88 -1.140 10.176 7.518 743 HG21 VAL 88 HG21 VAL 88 -2.968 11.977 4.765 744 HG22 VAL 88 HG22 VAL 88 -3.203 10.796 6.054 745 HG23 VAL 88 HG23 VAL 88 -2.205 10.389 4.658 746 H ILE 89 H ILE 89 -0.429 14.515 5.659 747 HA ILE 89 HA ILE 89 -2.831 15.746 4.535 748 HB ILE 89 HB ILE 89 -2.219 17.169 6.433 749 HG12 ILE 89 HG12 ILE 89 -1.833 19.313 5.195 750 HG13 ILE 89 HG13 ILE 89 -1.550 18.365 3.739 751 HG21 ILE 89 HG21 ILE 89 0.114 16.584 6.639 752 HG22 ILE 89 HG22 ILE 89 -0.067 18.333 6.507 753 HG23 ILE 89 HG23 ILE 89 0.477 17.396 5.116 754 HD11 ILE 89 HD11 ILE 89 -3.820 17.474 3.887 755 HD12 ILE 89 HD12 ILE 89 -3.804 19.233 3.775 756 HD13 ILE 89 HD13 ILE 89 -4.101 18.450 5.328 757 H LYS 90 H LYS 90 -2.520 16.506 2.419 758 HA LYS 90 HA LYS 90 -1.648 16.412 0.327 759 HB2 LYS 90 HB2 LYS 90 0.973 16.869 1.776 760 HB3 LYS 90 HB3 LYS 90 0.731 17.041 0.044 761 HG2 LYS 90 HG2 LYS 90 -0.818 18.875 0.419 762 HG3 LYS 90 HG3 LYS 90 -0.645 18.681 2.165 763 HD2 LYS 90 HD2 LYS 90 1.749 19.196 1.969 764 HD3 LYS 90 HD3 LYS 90 1.552 19.415 0.228 765 HE2 LYS 90 HE2 LYS 90 1.569 21.559 1.416 766 HE3 LYS 90 HE3 LYS 90 0.030 21.268 0.607 767 HZ1 LYS 90 HZ1 LYS 90 -0.104 22.169 2.934 768 HZ2 LYS 90 HZ2 LYS 90 0.471 20.669 3.481 769 HZ3 LYS 90 HZ3 LYS 90 -1.007 20.762 2.646 770 H ASN 91 H ASN 91 -2.230 14.035 1.364 771 HA ASN 91 HA ASN 91 -0.199 12.138 1.632 772 HB2 ASN 91 HB2 ASN 91 -2.030 10.458 1.228 773 HB3 ASN 91 HB3 ASN 91 -2.358 11.623 2.501 774 HD21 ASN 91 HD21 ASN 91 -4.178 9.982 0.938 775 HD22 ASN 91 HD22 ASN 91 -5.287 11.077 0.186 776 HA PRO 92 HA PRO 92 1.422 11.299 -2.316 777 HB2 PRO 92 HB2 PRO 92 1.599 8.543 -2.240 778 HB3 PRO 92 HB3 PRO 92 2.756 9.651 -1.496 779 HG2 PRO 92 HG2 PRO 92 0.466 8.186 -0.252 780 HG3 PRO 92 HG3 PRO 92 2.101 8.461 0.381 781 HD2 PRO 92 HD2 PRO 92 0.031 9.908 1.248 782 HD3 PRO 92 HD3 PRO 92 1.629 10.648 1.003 783 H THR 93 H THR 93 -1.511 9.617 -1.410 784 HA THR 93 HA THR 93 -2.016 8.611 -4.056 785 HB THR 93 HB THR 93 -4.281 8.047 -3.070 786 HG1 THR 93 HG1 THR 93 -4.474 9.471 -1.388 787 HG21 THR 93 HG21 THR 93 -1.832 7.049 -1.605 788 HG22 THR 93 HG22 THR 93 -2.434 6.431 -3.144 789 HG23 THR 93 HG23 THR 93 -3.395 6.236 -1.678 790 H TYR 94 H TYR 94 -1.993 11.619 -2.964 791 HA TYR 94 HA TYR 94 -4.365 12.837 -3.805 792 HB2 TYR 94 HB2 TYR 94 -2.620 13.973 -2.513 793 HB3 TYR 94 HB3 TYR 94 -1.512 13.848 -3.869 794 HD1 TYR 94 HD2 TYR 94 -4.596 15.489 -2.667 795 HD2 TYR 94 HD1 TYR 94 -1.524 15.450 -5.610 796 HE1 TYR 94 HE2 TYR 94 -5.321 17.704 -3.444 797 HE2 TYR 94 HE1 TYR 94 -2.231 17.667 -6.391 798 HH TYR 94 HH TYR 94 -4.291 19.077 -6.351 799 H LYS 95 H LYS 95 -1.393 12.068 -5.577 800 HA LYS 95 HA LYS 95 -2.947 12.177 -8.056 801 HB2 LYS 95 HB2 LYS 95 -0.803 12.972 -9.203 802 HB3 LYS 95 HB3 LYS 95 -1.699 14.156 -8.266 803 HG2 LYS 95 HG2 LYS 95 -0.112 14.084 -6.498 804 HG3 LYS 95 HG3 LYS 95 0.668 12.657 -7.178 805 HD2 LYS 95 HD2 LYS 95 1.877 14.833 -7.534 806 HD3 LYS 95 HD3 LYS 95 1.551 13.899 -8.994 807 HE2 LYS 95 HE2 LYS 95 -0.436 15.327 -9.401 808 HE3 LYS 95 HE3 LYS 95 0.012 16.298 -7.998 809 HZ1 LYS 95 HZ1 LYS 95 1.993 16.990 -9.060 810 HZ2 LYS 95 HZ2 LYS 95 0.756 17.185 -10.204 811 HZ3 LYS 95 HZ3 LYS 95 1.815 15.863 -10.314 812 H ALA 96 H ALA 96 -3.166 10.059 -8.364 813 HA ALA 96 HA ALA 96 -0.711 8.465 -8.611 814 HB1 ALA 96 HB1 ALA 96 -1.816 6.560 -7.582 815 HB2 ALA 96 HB2 ALA 96 -3.279 7.516 -7.344 816 HB3 ALA 96 HB3 ALA 96 -1.802 7.933 -6.474 817 H GLU 97 H GLU 97 -0.606 7.203 -10.372 818 HA GLU 97 HA GLU 97 -3.049 6.652 -11.872 819 HB2 GLU 97 HB2 GLU 97 -1.874 7.139 -14.007 820 HB3 GLU 97 HB3 GLU 97 -2.135 8.565 -13.014 821 HG2 GLU 97 HG2 GLU 97 0.168 8.555 -12.317 822 HG3 GLU 97 HG3 GLU 97 0.452 7.036 -13.170 823 H LEU 98 H LEU 98 -2.857 4.841 -13.314 824 HA LEU 98 HA LEU 98 -1.002 2.876 -12.180 825 HB2 LEU 98 HB2 LEU 98 -3.526 2.483 -13.788 826 HB3 LEU 98 HB3 LEU 98 -2.543 1.198 -13.111 827 HG LEU 98 HG LEU 98 -3.972 3.299 -11.483 828 HD11 LEU 98 HD11 LEU 98 -5.475 1.482 -10.832 829 HD12 LEU 98 HD12 LEU 98 -4.673 0.414 -11.986 830 HD13 LEU 98 HD13 LEU 98 -5.565 1.824 -12.560 831 HD21 LEU 98 HD21 LEU 98 -2.502 0.800 -10.663 832 HD22 LEU 98 HD22 LEU 98 -3.412 1.858 -9.588 833 HD23 LEU 98 HD23 LEU 98 -1.966 2.459 -10.398 834 H HIS 99 H HIS 99 0.847 3.129 -13.330 835 HA HIS 99 HA HIS 99 0.709 3.020 -16.247 836 HB2 HIS 99 HB2 HIS 99 2.177 4.715 -15.125 837 HB3 HIS 99 HB3 HIS 99 3.146 3.391 -14.490 838 HD1 HIS 99 HD1 HIS 99 2.336 5.196 -17.678 839 HD2 HIS 99 HD2 HIS 99 4.925 2.240 -16.303 840 HE1 HIS 99 HE1 HIS 99 3.999 4.830 -19.531 841 HE2 HIS 99 HE2 HIS 99 5.465 2.935 -18.738 842 H ALA 100 H ALA 100 -0.003 0.819 -16.312 843 HA ALA 100 HA ALA 100 2.017 -1.151 -15.517 844 HB1 ALA 100 HB1 ALA 100 -0.917 -1.551 -16.086 845 HB2 ALA 100 HB2 ALA 100 -0.175 -1.472 -14.487 846 HB3 ALA 100 HB3 ALA 100 0.219 -2.801 -15.578 847 H SER 101 H SER 101 3.323 -1.563 -17.167 848 HA SER 101 HA SER 101 2.343 -1.576 -19.897 849 HB2 SER 101 HB2 SER 101 5.089 -2.187 -18.767 850 HB3 SER 101 HB3 SER 101 4.700 -2.045 -20.484 851 HG SER 101 HG SER 101 3.931 0.137 -19.911 852 H VAL 102 H VAL 102 2.419 -3.696 -17.348 853 HA VAL 102 HA VAL 102 2.875 -6.117 -18.859 854 HB VAL 102 HB VAL 102 1.742 -5.906 -16.071 855 HG11 VAL 102 HG11 VAL 102 2.711 -8.122 -15.780 856 HG12 VAL 102 HG12 VAL 102 3.317 -8.085 -17.436 857 HG13 VAL 102 HG13 VAL 102 1.580 -8.103 -17.134 858 HG21 VAL 102 HG21 VAL 102 4.050 -6.105 -15.255 859 HG22 VAL 102 HG22 VAL 102 3.776 -4.603 -16.141 860 HG23 VAL 102 HG23 VAL 102 4.635 -5.941 -16.912 861 H LEU 103 H LEU 103 1.199 -5.545 -20.425 862 HA LEU 103 HA LEU 103 -1.312 -6.822 -19.730 863 HB2 LEU 103 HB2 LEU 103 -1.090 -3.964 -20.640 864 HB3 LEU 103 HB3 LEU 103 -2.515 -4.916 -21.009 865 HG LEU 103 HG LEU 103 -1.500 -4.345 -18.223 866 HD11 LEU 103 HD11 LEU 103 -3.376 -2.815 -18.052 867 HD12 LEU 103 HD12 LEU 103 -3.831 -3.158 -19.721 868 HD13 LEU 103 HD13 LEU 103 -2.311 -2.332 -19.372 869 HD21 LEU 103 HD21 LEU 103 -3.648 -5.255 -17.516 870 HD22 LEU 103 HD22 LEU 103 -2.733 -6.456 -18.428 871 HD23 LEU 103 HD23 LEU 103 -4.069 -5.598 -19.195 872 H GLU 104 H GLU 104 -1.072 -8.445 -21.182 873 HA GLU 104 HA GLU 104 -0.568 -7.653 -23.965 874 HB2 GLU 104 HB2 GLU 104 -0.200 -10.134 -24.341 875 HB3 GLU 104 HB3 GLU 104 1.000 -9.303 -23.368 876 HG2 GLU 104 HG2 GLU 104 0.729 -11.195 -22.148 877 HG3 GLU 104 HG3 GLU 104 -0.477 -10.164 -21.384 878 H HIS 105 H HIS 105 -1.929 -8.421 -25.641 879 HA HIS 105 HA HIS 105 -4.682 -8.502 -24.640 880 HB2 HIS 105 HB2 HIS 105 -3.556 -7.584 -27.287 881 HB3 HIS 105 HB3 HIS 105 -5.280 -7.699 -26.947 882 HD1 HIS 105 HD1 HIS 105 -2.825 -5.226 -27.131 883 HD2 HIS 105 HD2 HIS 105 -5.729 -6.146 -24.295 884 HE1 HIS 105 HE1 HIS 105 -3.162 -3.120 -25.799 885 HE2 HIS 105 HE2 HIS 105 -4.846 -3.723 -24.017 886 H HIS 106 H HIS 106 -2.458 -10.196 -26.789 887 HA HIS 106 HA HIS 106 -4.309 -12.440 -26.707 888 HB2 HIS 106 HB2 HIS 106 -4.534 -12.771 -29.011 889 HB3 HIS 106 HB3 HIS 106 -4.712 -11.031 -28.838 890 HD1 HIS 106 HD1 HIS 106 -3.168 -13.387 -30.942 891 HD2 HIS 106 HD2 HIS 106 -1.927 -9.776 -29.296 892 HE1 HIS 106 HE1 HIS 106 -1.259 -12.604 -32.383 893 HE2 HIS 106 HE2 HIS 106 -0.364 -10.569 -31.200 894 H HIS 107 H HIS 107 -3.324 -14.444 -26.909 895 HA HIS 107 HA HIS 107 -0.518 -14.470 -26.310 896 HB2 HIS 107 HB2 HIS 107 -0.757 -16.865 -26.007 897 HB3 HIS 107 HB3 HIS 107 -2.103 -16.045 -25.229 898 HD1 HIS 107 HD1 HIS 107 -1.341 -18.749 -27.497 899 HD2 HIS 107 HD2 HIS 107 -4.554 -16.177 -26.893 900 HE1 HIS 107 HE1 HIS 107 -3.300 -19.828 -28.642 901 HE2 HIS 107 HE2 HIS 107 -5.146 -18.119 -28.493 902 H HIS 108 H HIS 108 1.093 -14.589 -27.682 903 HA HIS 108 HA HIS 108 0.707 -15.958 -30.253 904 HB2 HIS 108 HB2 HIS 108 0.573 -13.498 -30.617 905 HB3 HIS 108 HB3 HIS 108 2.169 -13.325 -29.895 906 HD1 HIS 108 HD1 HIS 108 3.786 -12.845 -31.712 907 HD2 HIS 108 HD2 HIS 108 0.961 -15.684 -32.847 908 HE1 HIS 108 HE1 HIS 108 4.426 -13.550 -34.040 909 HE2 HIS 108 HE2 HIS 108 2.602 -15.137 -34.770 910 H HIS 109 H HIS 109 2.174 -17.518 -30.478 911 HA HIS 109 HA HIS 109 4.780 -17.200 -29.158 912 HB2 HIS 109 HB2 HIS 109 3.426 -18.571 -27.662 913 HB3 HIS 109 HB3 HIS 109 3.007 -19.647 -28.990 914 HD1 HIS 109 HD1 HIS 109 4.412 -21.679 -29.177 915 HD2 HIS 109 HD2 HIS 109 6.359 -18.631 -27.125 916 HE1 HIS 109 HE1 HIS 109 6.597 -22.662 -28.413 917 HE2 HIS 109 HE2 HIS 109 7.689 -20.848 -27.046 918 H HIS 110 H HIS 110 6.309 -17.385 -30.623 919 HA HIS 110 HA HIS 110 5.778 -18.920 -33.064 920 HB2 HIS 110 HB2 HIS 110 6.608 -16.587 -33.290 921 HB3 HIS 110 HB3 HIS 110 8.076 -17.046 -32.435 922 HD1 HIS 110 HD1 HIS 110 6.311 -17.451 -35.714 923 HD2 HIS 110 HD2 HIS 110 9.948 -18.440 -33.951 924 HE1 HIS 110 HE1 HIS 110 7.779 -18.262 -37.592 925 HE2 HIS 110 HE2 HIS 110 9.889 -19.067 -36.461 Start of MODEL 13 1 H1 MET 1 H1 MET 1 3.097 8.830 14.740 2 H2 MET 1 H2 MET 1 2.977 10.494 14.443 3 H3 MET 1 H3 MET 1 4.465 9.820 14.908 4 HA MET 1 HA MET 1 3.019 9.430 12.357 5 HB2 MET 1 HB2 MET 1 5.712 10.611 13.056 6 HB3 MET 1 HB3 MET 1 5.218 10.229 11.414 7 HG2 MET 1 HG2 MET 1 3.309 11.787 11.688 8 HG3 MET 1 HG3 MET 1 3.958 12.237 13.263 9 HE1 MET 1 HE1 MET 1 6.194 13.550 13.633 10 HE2 MET 1 HE2 MET 1 7.319 13.974 12.342 11 HE3 MET 1 HE3 MET 1 7.093 12.285 12.796 12 H ILE 2 H ILE 2 2.961 7.358 11.884 13 HA ILE 2 HA ILE 2 5.189 5.608 12.614 14 HB ILE 2 HB ILE 2 2.875 4.925 13.185 15 HG12 ILE 2 HG12 ILE 2 4.142 3.136 11.099 16 HG13 ILE 2 HG13 ILE 2 4.607 3.202 12.795 17 HG21 ILE 2 HG21 ILE 2 2.474 4.824 10.200 18 HG22 ILE 2 HG22 ILE 2 1.711 5.950 11.322 19 HG23 ILE 2 HG23 ILE 2 1.338 4.230 11.412 20 HD11 ILE 2 HD11 ILE 2 1.941 2.319 11.709 21 HD12 ILE 2 HD12 ILE 2 2.361 2.434 13.419 22 HD13 ILE 2 HD13 ILE 2 3.203 1.284 12.380 23 H THR 3 H THR 3 6.171 4.219 11.044 24 HA THR 3 HA THR 3 6.651 5.294 8.482 25 HB THR 3 HB THR 3 7.615 3.025 7.969 26 HG1 THR 3 HG1 THR 3 6.080 2.333 10.036 27 HG21 THR 3 HG21 THR 3 9.445 3.201 9.602 28 HG22 THR 3 HG22 THR 3 8.468 4.307 10.569 29 HG23 THR 3 HG23 THR 3 8.996 4.777 8.954 30 H PHE 4 H PHE 4 5.849 4.747 6.450 31 HA PHE 4 HA PHE 4 3.104 4.188 6.325 32 HB2 PHE 4 HB2 PHE 4 4.191 5.502 4.607 33 HB3 PHE 4 HB3 PHE 4 5.196 4.133 4.144 34 HD1 PHE 4 HD2 PHE 4 1.545 4.734 4.667 35 HD2 PHE 4 HD1 PHE 4 4.608 3.186 2.149 36 HE1 PHE 4 HE2 PHE 4 -0.154 4.040 3.029 37 HE2 PHE 4 HE1 PHE 4 2.913 2.490 0.506 38 HZ PHE 4 HZ PHE 4 0.528 2.919 0.946 39 H ALA 5 H ALA 5 5.899 2.107 5.652 40 HA ALA 5 HA ALA 5 4.523 -0.099 4.644 41 HB1 ALA 5 HB1 ALA 5 6.482 -1.403 5.167 42 HB2 ALA 5 HB2 ALA 5 7.046 -0.164 6.289 43 HB3 ALA 5 HB3 ALA 5 6.974 0.180 4.561 44 H ASP 6 H ASP 6 5.646 0.450 7.976 45 HA ASP 6 HA ASP 6 4.469 -1.871 9.047 46 HB2 ASP 6 HB2 ASP 6 6.302 -0.556 10.127 47 HB3 ASP 6 HB3 ASP 6 5.126 0.695 10.515 48 H TYR 7 H TYR 7 3.286 1.407 8.614 49 HA TYR 7 HA TYR 7 0.907 1.154 10.110 50 HB2 TYR 7 HB2 TYR 7 1.672 3.349 9.452 51 HB3 TYR 7 HB3 TYR 7 1.572 2.928 7.746 52 HD1 TYR 7 HD1 TYR 7 -0.434 3.639 10.782 53 HD2 TYR 7 HD2 TYR 7 -0.481 3.082 6.559 54 HE1 TYR 7 HE1 TYR 7 -2.743 4.471 10.699 55 HE2 TYR 7 HE2 TYR 7 -2.789 3.914 6.470 56 HH TYR 7 HH TYR 7 -4.689 4.229 7.861 57 H PHE 8 H PHE 8 1.636 0.550 6.694 58 HA PHE 8 HA PHE 8 -0.974 0.089 5.819 59 HB2 PHE 8 HB2 PHE 8 0.964 0.395 4.306 60 HB3 PHE 8 HB3 PHE 8 1.565 -1.191 4.779 61 HD1 PHE 8 HD2 PHE 8 -1.169 0.573 3.041 62 HD2 PHE 8 HD1 PHE 8 0.717 -3.166 3.803 63 HE1 PHE 8 HE2 PHE 8 -2.505 -0.463 1.252 64 HE2 PHE 8 HE1 PHE 8 -0.617 -4.207 2.020 65 HZ PHE 8 HZ PHE 8 -2.231 -2.857 0.743 66 H TYR 9 H TYR 9 1.455 -2.244 6.999 67 HA TYR 9 HA TYR 9 -0.308 -4.467 6.724 68 HB2 TYR 9 HB2 TYR 9 2.189 -4.669 6.781 69 HB3 TYR 9 HB3 TYR 9 2.137 -4.285 8.501 70 HD1 TYR 9 HD1 TYR 9 1.272 -6.780 5.951 71 HD2 TYR 9 HD2 TYR 9 1.387 -5.912 10.111 72 HE1 TYR 9 HE1 TYR 9 0.844 -9.146 6.446 73 HE2 TYR 9 HE2 TYR 9 0.953 -8.270 10.625 74 HH TYR 9 HH TYR 9 1.082 -10.729 8.197 75 H GLN 10 H GLN 10 0.547 -2.298 9.367 76 HA GLN 10 HA GLN 10 -0.776 -3.625 11.449 77 HB2 GLN 10 HB2 GLN 10 0.751 -1.471 11.424 78 HB3 GLN 10 HB3 GLN 10 -0.783 -0.626 11.279 79 HG2 GLN 10 HG2 GLN 10 -0.244 -0.661 13.568 80 HG3 GLN 10 HG3 GLN 10 -1.527 -1.852 13.343 81 HE21 GLN 10 HE21 GLN 10 1.795 -2.352 12.393 82 HE22 GLN 10 HE22 GLN 10 2.150 -3.574 13.563 83 H TRP 11 H TRP 11 -1.879 -1.075 9.257 84 HA TRP 11 HA TRP 11 -4.527 -0.859 10.078 85 HB2 TRP 11 HB2 TRP 11 -3.746 0.795 8.606 86 HB3 TRP 11 HB3 TRP 11 -3.121 -0.385 7.460 87 HD1 TRP 11 HD1 TRP 11 -6.490 1.086 8.644 88 HE1 TRP 11 HE1 TRP 11 -8.188 0.850 6.718 89 HE3 TRP 11 HE3 TRP 11 -3.606 -1.555 5.365 90 HZ2 TRP 11 HZ2 TRP 11 -8.272 -0.304 4.134 91 HZ3 TRP 11 HZ3 TRP 11 -4.560 -2.186 3.187 92 HH2 TRP 11 HH2 TRP 11 -6.845 -1.573 2.585 93 H TYR 12 H TYR 12 -3.064 -3.016 7.686 94 HA TYR 12 HA TYR 12 -5.407 -4.276 6.813 95 HB2 TYR 12 HB2 TYR 12 -3.493 -4.619 5.495 96 HB3 TYR 12 HB3 TYR 12 -2.516 -5.103 6.873 97 HD1 TYR 12 HD1 TYR 12 -5.561 -6.239 4.994 98 HD2 TYR 12 HD2 TYR 12 -2.046 -7.328 7.139 99 HE1 TYR 12 HE1 TYR 12 -5.994 -8.599 4.499 100 HE2 TYR 12 HE2 TYR 12 -2.472 -9.695 6.641 101 HH TYR 12 HH TYR 12 -4.420 -11.116 6.082 102 H GLU 13 H GLU 13 -3.140 -5.198 9.394 103 HA GLU 13 HA GLU 13 -4.385 -7.573 10.180 104 HB2 GLU 13 HB2 GLU 13 -2.130 -6.820 10.911 105 HB3 GLU 13 HB3 GLU 13 -2.887 -5.610 11.933 106 HG2 GLU 13 HG2 GLU 13 -3.799 -8.365 12.377 107 HG3 GLU 13 HG3 GLU 13 -2.108 -8.059 12.761 108 H VAL 14 H VAL 14 -4.900 -4.255 11.296 109 HA VAL 14 HA VAL 14 -6.842 -4.896 13.250 110 HB VAL 14 HB VAL 14 -6.361 -2.288 11.794 111 HG11 VAL 14 HG11 VAL 14 -7.544 -1.221 13.641 112 HG12 VAL 14 HG12 VAL 14 -7.893 -2.803 14.341 113 HG13 VAL 14 HG13 VAL 14 -8.593 -2.352 12.785 114 HG21 VAL 14 HG21 VAL 14 -4.408 -3.058 13.026 115 HG22 VAL 14 HG22 VAL 14 -5.388 -3.264 14.477 116 HG23 VAL 14 HG23 VAL 14 -5.124 -1.651 13.813 117 H ASN 15 H ASN 15 -7.056 -4.406 9.786 118 HA ASN 15 HA ASN 15 -9.961 -4.034 10.056 119 HB2 ASN 15 HB2 ASN 15 -7.997 -2.974 8.066 120 HB3 ASN 15 HB3 ASN 15 -9.689 -3.147 7.617 121 HD21 ASN 15 HD21 ASN 15 -7.417 -1.459 9.631 122 HD22 ASN 15 HD22 ASN 15 -8.504 -0.208 10.147 123 H LYS 16 H LYS 16 -7.837 -5.271 7.441 124 HA LYS 16 HA LYS 16 -10.151 -6.678 6.417 125 HB2 LYS 16 HB2 LYS 16 -7.369 -6.577 5.257 126 HB3 LYS 16 HB3 LYS 16 -8.848 -7.047 4.428 127 HG2 LYS 16 HG2 LYS 16 -8.128 -4.303 5.436 128 HG3 LYS 16 HG3 LYS 16 -8.233 -4.831 3.756 129 HD2 LYS 16 HD2 LYS 16 -10.591 -5.095 3.897 130 HD3 LYS 16 HD3 LYS 16 -10.570 -4.902 5.651 131 HE2 LYS 16 HE2 LYS 16 -9.704 -2.575 5.285 132 HE3 LYS 16 HE3 LYS 16 -10.005 -2.806 3.563 133 HZ1 LYS 16 HZ1 LYS 16 -11.826 -1.658 4.727 134 HZ2 LYS 16 HZ2 LYS 16 -12.077 -3.037 5.680 135 HZ3 LYS 16 HZ3 LYS 16 -12.330 -3.105 4.006 136 H LEU 17 H LEU 17 -7.553 -7.478 8.412 137 HA LEU 17 HA LEU 17 -6.732 -9.973 7.585 138 HB2 LEU 17 HB2 LEU 17 -5.794 -8.632 9.469 139 HB3 LEU 17 HB3 LEU 17 -7.142 -9.165 10.456 140 HG LEU 17 HG LEU 17 -6.375 -11.534 10.050 141 HD11 LEU 17 HD11 LEU 17 -5.053 -11.108 8.050 142 HD12 LEU 17 HD12 LEU 17 -4.076 -11.854 9.315 143 HD13 LEU 17 HD13 LEU 17 -3.933 -10.126 8.994 144 HD21 LEU 17 HD21 LEU 17 -5.925 -10.341 12.139 145 HD22 LEU 17 HD22 LEU 17 -4.442 -9.687 11.443 146 HD23 LEU 17 HD23 LEU 17 -4.599 -11.423 11.710 147 HA PRO 18 HA PRO 18 -10.188 -12.196 10.064 148 HB2 PRO 18 HB2 PRO 18 -12.303 -10.828 11.014 149 HB3 PRO 18 HB3 PRO 18 -10.784 -10.965 11.914 150 HG2 PRO 18 HG2 PRO 18 -11.797 -8.712 10.225 151 HG3 PRO 18 HG3 PRO 18 -11.001 -8.651 11.809 152 HD2 PRO 18 HD2 PRO 18 -9.702 -8.171 9.466 153 HD3 PRO 18 HD3 PRO 18 -8.904 -8.845 10.900 154 H HIS 19 H HIS 19 -10.505 -10.362 7.380 155 HA HIS 19 HA HIS 19 -13.198 -11.404 6.767 156 HB2 HIS 19 HB2 HIS 19 -11.861 -8.975 5.564 157 HB3 HIS 19 HB3 HIS 19 -13.481 -9.553 5.203 158 HD2 HIS 19 HD2 HIS 19 -11.665 -7.252 7.601 159 HE1 HIS 19 HE1 HIS 19 -15.598 -7.733 9.070 160 HE2 HIS 19 HE2 HIS 19 -13.503 -6.300 9.161 161 H VAL 20 H VAL 20 -9.990 -10.719 5.450 162 HA VAL 20 HA VAL 20 -10.687 -11.801 2.879 163 HB VAL 20 HB VAL 20 -8.425 -11.240 2.202 164 HG11 VAL 20 HG11 VAL 20 -9.684 -9.084 3.894 165 HG12 VAL 20 HG12 VAL 20 -10.086 -9.466 2.220 166 HG13 VAL 20 HG13 VAL 20 -8.492 -8.826 2.620 167 HG21 VAL 20 HG21 VAL 20 -6.837 -10.223 3.775 168 HG22 VAL 20 HG22 VAL 20 -7.218 -11.888 4.215 169 HG23 VAL 20 HG23 VAL 20 -7.950 -10.552 5.103 170 H SER 21 H SER 21 -10.016 -13.654 1.939 171 HA SER 21 HA SER 21 -9.148 -15.819 3.634 172 HB2 SER 21 HB2 SER 21 -9.432 -15.804 0.622 173 HB3 SER 21 HB3 SER 21 -9.479 -17.203 1.694 174 HG SER 21 HG SER 21 -11.356 -15.699 2.618 175 H GLU 22 H GLU 22 -7.325 -17.298 2.647 176 HA GLU 22 HA GLU 22 -4.901 -15.912 2.851 177 HB2 GLU 22 HB2 GLU 22 -3.815 -17.985 2.082 178 HB3 GLU 22 HB3 GLU 22 -5.025 -18.290 3.319 179 HG2 GLU 22 HG2 GLU 22 -6.582 -19.081 1.665 180 HG3 GLU 22 HG3 GLU 22 -5.472 -18.650 0.364 181 H SER 23 H SER 23 -6.864 -16.625 0.072 182 HA SER 23 HA SER 23 -4.994 -16.104 -1.952 183 HB2 SER 23 HB2 SER 23 -7.984 -15.631 -1.981 184 HB3 SER 23 HB3 SER 23 -6.940 -15.788 -3.397 185 HG SER 23 HG SER 23 -6.538 -17.908 -2.868 186 H THR 24 H THR 24 -7.285 -13.929 -0.293 187 HA THR 24 HA THR 24 -6.345 -11.614 -1.689 188 HB THR 24 HB THR 24 -7.982 -11.751 0.852 189 HG1 THR 24 HG1 THR 24 -9.221 -11.101 -1.538 190 HG21 THR 24 HG21 THR 24 -8.718 -9.482 0.193 191 HG22 THR 24 HG22 THR 24 -7.566 -9.515 -1.142 192 HG23 THR 24 HG23 THR 24 -6.986 -9.551 0.525 193 H LYS 25 H LYS 25 -5.554 -13.236 1.325 194 HA LYS 25 HA LYS 25 -3.956 -11.285 2.512 195 HB2 LYS 25 HB2 LYS 25 -3.578 -14.282 2.451 196 HB3 LYS 25 HB3 LYS 25 -2.618 -13.199 3.447 197 HG2 LYS 25 HG2 LYS 25 -4.868 -12.436 4.416 198 HG3 LYS 25 HG3 LYS 25 -5.513 -13.906 3.682 199 HD2 LYS 25 HD2 LYS 25 -4.960 -14.438 5.937 200 HD3 LYS 25 HD3 LYS 25 -3.731 -15.185 4.917 201 HE2 LYS 25 HE2 LYS 25 -3.319 -12.477 6.156 202 HE3 LYS 25 HE3 LYS 25 -2.966 -13.956 7.044 203 HZ1 LYS 25 HZ1 LYS 25 -1.177 -14.427 5.745 204 HZ2 LYS 25 HZ2 LYS 25 -1.140 -12.732 5.603 205 HZ3 LYS 25 HZ3 LYS 25 -1.813 -13.676 4.369 206 H ARG 26 H ARG 26 -3.158 -13.688 0.037 207 HA ARG 26 HA ARG 26 -0.447 -13.158 -0.236 208 HB2 ARG 26 HB2 ARG 26 -2.488 -14.095 -2.244 209 HB3 ARG 26 HB3 ARG 26 -0.770 -13.987 -2.616 210 HG2 ARG 26 HG2 ARG 26 -0.240 -15.574 -0.903 211 HG3 ARG 26 HG3 ARG 26 -1.911 -15.591 -0.343 212 HD2 ARG 26 HD2 ARG 26 -2.637 -16.592 -2.413 213 HD3 ARG 26 HD3 ARG 26 -1.009 -16.465 -3.082 214 HE ARG 26 HE ARG 26 -0.295 -18.165 -1.602 215 HH11 ARG 26 HH11 ARG 26 -3.754 -17.648 -1.565 216 HH12 ARG 26 HH12 ARG 26 -4.085 -19.136 -0.737 217 HH21 ARG 26 HH21 ARG 26 -0.739 -20.114 -0.516 218 HH22 ARG 26 HH22 ARG 26 -2.385 -20.518 -0.120 219 H HIS 27 H HIS 27 -3.192 -11.416 -1.573 220 HA HIS 27 HA HIS 27 -1.748 -9.698 -3.287 221 HB2 HIS 27 HB2 HIS 27 -4.386 -9.417 -1.857 222 HB3 HIS 27 HB3 HIS 27 -3.733 -8.118 -2.846 223 HD2 HIS 27 HD2 HIS 27 -4.741 -11.903 -3.395 224 HE1 HIS 27 HE1 HIS 27 -5.398 -9.650 -6.920 225 HE2 HIS 27 HE2 HIS 27 -5.856 -11.854 -5.741 226 H TYR 28 H TYR 28 -2.890 -9.234 0.049 227 HA TYR 28 HA TYR 28 -1.681 -6.708 0.394 228 HB2 TYR 28 HB2 TYR 28 -2.798 -8.755 2.281 229 HB3 TYR 28 HB3 TYR 28 -1.961 -7.337 2.901 230 HD1 TYR 28 HD2 TYR 28 -2.910 -5.114 2.632 231 HD2 TYR 28 HD1 TYR 28 -4.980 -8.558 1.234 232 HE1 TYR 28 HE2 TYR 28 -4.973 -3.794 2.457 233 HE2 TYR 28 HE1 TYR 28 -7.053 -7.244 1.059 234 HH TYR 28 HH TYR 28 -7.088 -3.833 1.289 235 H GLU 29 H GLU 29 -0.615 -9.978 1.310 236 HA GLU 29 HA GLU 29 1.676 -9.277 2.734 237 HB2 GLU 29 HB2 GLU 29 1.271 -11.700 0.971 238 HB3 GLU 29 HB3 GLU 29 2.518 -11.530 2.197 239 HG2 GLU 29 HG2 GLU 29 -0.435 -11.471 2.761 240 HG3 GLU 29 HG3 GLU 29 0.570 -12.911 2.874 241 H SER 30 H SER 30 1.388 -10.094 -0.729 242 HA SER 30 HA SER 30 4.084 -9.663 -1.389 243 HB2 SER 30 HB2 SER 30 1.670 -9.343 -3.192 244 HB3 SER 30 HB3 SER 30 3.333 -9.619 -3.711 245 HG SER 30 HG SER 30 1.502 -11.384 -2.521 246 H ALA 31 H ALA 31 1.291 -7.506 -1.389 247 HA ALA 31 HA ALA 31 2.537 -5.264 -2.535 248 HB1 ALA 31 HB1 ALA 31 0.100 -5.510 -2.261 249 HB2 ALA 31 HB2 ALA 31 0.701 -3.984 -1.612 250 HB3 ALA 31 HB3 ALA 31 0.293 -5.306 -0.520 251 H TYR 32 H TYR 32 2.127 -6.253 0.843 252 HA TYR 32 HA TYR 32 3.316 -4.050 2.071 253 HB2 TYR 32 HB2 TYR 32 2.053 -5.672 3.349 254 HB3 TYR 32 HB3 TYR 32 3.200 -6.944 2.947 255 HD1 TYR 32 HD1 TYR 32 3.471 -3.480 4.342 256 HD2 TYR 32 HD2 TYR 32 4.461 -7.595 4.750 257 HE1 TYR 32 HE1 TYR 32 4.750 -2.965 6.375 258 HE2 TYR 32 HE2 TYR 32 5.741 -7.091 6.788 259 HH TYR 32 HH TYR 32 6.867 -5.196 7.838 260 H LYS 33 H LYS 33 4.779 -6.997 0.771 261 HA LYS 33 HA LYS 33 7.382 -6.514 1.760 262 HB2 LYS 33 HB2 LYS 33 6.666 -8.040 -0.750 263 HB3 LYS 33 HB3 LYS 33 8.143 -8.195 0.199 264 HG2 LYS 33 HG2 LYS 33 6.680 -8.876 2.121 265 HG3 LYS 33 HG3 LYS 33 5.366 -8.990 0.955 266 HD2 LYS 33 HD2 LYS 33 6.302 -11.183 1.266 267 HD3 LYS 33 HD3 LYS 33 6.740 -10.607 -0.345 268 HE2 LYS 33 HE2 LYS 33 8.953 -10.027 0.412 269 HE3 LYS 33 HE3 LYS 33 8.528 -10.423 2.077 270 HZ1 LYS 33 HZ1 LYS 33 9.806 -12.183 0.991 271 HZ2 LYS 33 HZ2 LYS 33 8.582 -12.366 -0.174 272 HZ3 LYS 33 HZ3 LYS 33 8.268 -12.720 1.453 273 H HIS 34 H HIS 34 5.767 -5.591 -1.237 274 HA HIS 34 HA HIS 34 8.101 -4.415 -2.331 275 HB2 HIS 34 HB2 HIS 34 5.190 -4.257 -3.038 276 HB3 HIS 34 HB3 HIS 34 6.342 -3.172 -3.807 277 HD1 HIS 34 HD1 HIS 34 8.285 -4.405 -5.249 278 HD2 HIS 34 HD2 HIS 34 5.047 -6.745 -4.091 279 HE1 HIS 34 HE1 HIS 34 8.294 -6.432 -6.760 280 H ILE 35 H ILE 35 5.416 -3.265 -0.393 281 HA ILE 35 HA ILE 35 6.015 -0.513 -0.511 282 HB ILE 35 HB ILE 35 4.575 -2.110 1.607 283 HG12 ILE 35 HG12 ILE 35 3.584 -0.275 -0.585 284 HG13 ILE 35 HG13 ILE 35 3.505 -2.033 -0.607 285 HG21 ILE 35 HG21 ILE 35 5.512 -0.076 2.594 286 HG22 ILE 35 HG22 ILE 35 3.754 0.012 2.483 287 HG23 ILE 35 HG23 ILE 35 4.754 0.888 1.325 288 HD11 ILE 35 HD11 ILE 35 2.083 -0.219 1.326 289 HD12 ILE 35 HD12 ILE 35 2.012 -1.981 1.328 290 HD13 ILE 35 HD13 ILE 35 1.361 -1.074 -0.038 291 H LYS 36 H LYS 36 6.879 -2.976 1.927 292 HA LYS 36 HA LYS 36 8.440 -1.234 3.510 293 HB2 LYS 36 HB2 LYS 36 9.256 -3.190 4.641 294 HB3 LYS 36 HB3 LYS 36 7.551 -3.420 4.299 295 HG2 LYS 36 HG2 LYS 36 8.159 -4.825 2.369 296 HG3 LYS 36 HG3 LYS 36 9.860 -4.638 2.802 297 HD2 LYS 36 HD2 LYS 36 9.351 -5.627 5.021 298 HD3 LYS 36 HD3 LYS 36 7.697 -5.910 4.476 299 HE2 LYS 36 HE2 LYS 36 8.969 -7.943 4.240 300 HE3 LYS 36 HE3 LYS 36 8.583 -7.312 2.640 301 HZ1 LYS 36 HZ1 LYS 36 10.797 -6.460 2.431 302 HZ2 LYS 36 HZ2 LYS 36 10.892 -8.098 2.860 303 HZ3 LYS 36 HZ3 LYS 36 11.175 -6.899 4.027 304 H ASP 37 H ASP 37 9.073 -2.950 0.605 305 HA ASP 37 HA ASP 37 11.893 -2.926 0.609 306 HB2 ASP 37 HB2 ASP 37 10.674 -4.332 -0.922 307 HB3 ASP 37 HB3 ASP 37 9.871 -2.941 -1.638 308 H HIS 38 H HIS 38 9.520 -0.644 -0.736 309 HA HIS 38 HA HIS 38 11.637 1.193 -1.511 310 HB2 HIS 38 HB2 HIS 38 8.643 1.281 -1.875 311 HB3 HIS 38 HB3 HIS 38 9.708 2.601 -2.350 312 HD1 HIS 38 HD1 HIS 38 10.997 2.359 -4.518 313 HD2 HIS 38 HD2 HIS 38 8.955 -1.101 -3.417 314 HE1 HIS 38 HE1 HIS 38 11.148 0.809 -6.501 315 HE2 HIS 38 HE2 HIS 38 10.123 -1.352 -5.708 316 H PHE 39 H PHE 39 8.950 1.063 0.760 317 HA PHE 39 HA PHE 39 9.930 3.536 2.026 318 HB2 PHE 39 HB2 PHE 39 7.191 2.269 2.273 319 HB3 PHE 39 HB3 PHE 39 7.685 3.834 2.910 320 HD1 PHE 39 HD1 PHE 39 8.464 5.581 1.186 321 HD2 PHE 39 HD2 PHE 39 6.185 2.132 0.191 322 HE1 PHE 39 HE1 PHE 39 7.727 6.676 -0.887 323 HE2 PHE 39 HE2 PHE 39 5.451 3.211 -1.895 324 HZ PHE 39 HZ PHE 39 6.223 5.488 -2.438 325 H ARG 40 H ARG 40 11.387 2.775 3.480 326 HA ARG 40 HA ARG 40 10.700 0.401 5.051 327 HB2 ARG 40 HB2 ARG 40 13.333 1.868 5.049 328 HB3 ARG 40 HB3 ARG 40 13.018 0.206 5.534 329 HG2 ARG 40 HG2 ARG 40 12.492 -0.353 3.201 330 HG3 ARG 40 HG3 ARG 40 12.879 1.303 2.735 331 HD2 ARG 40 HD2 ARG 40 14.750 -0.714 3.960 332 HD3 ARG 40 HD3 ARG 40 14.767 -0.136 2.295 333 HE ARG 40 HE ARG 40 15.051 2.126 3.790 334 HH11 ARG 40 HH11 ARG 40 16.721 -0.937 3.642 335 HH12 ARG 40 HH12 ARG 40 18.274 -0.264 4.050 336 HH21 ARG 40 HH21 ARG 40 17.082 3.026 4.389 337 HH22 ARG 40 HH22 ARG 40 18.474 1.988 4.497 338 H HIS 41 H HIS 41 12.321 3.507 5.662 339 HA HIS 41 HA HIS 41 10.972 3.599 8.284 340 HB2 HIS 41 HB2 HIS 41 13.692 4.559 7.414 341 HB3 HIS 41 HB3 HIS 41 12.910 5.218 8.846 342 HD1 HIS 41 HD1 HIS 41 14.166 4.223 10.734 343 HD2 HIS 41 HD2 HIS 41 13.198 1.391 7.843 344 HE1 HIS 41 HE1 HIS 41 14.893 2.009 11.679 345 HE2 HIS 41 HE2 HIS 41 14.094 0.302 10.013 346 H LYS 42 H LYS 42 10.184 4.488 5.557 347 HA LYS 42 HA LYS 42 10.064 7.376 5.782 348 HB2 LYS 42 HB2 LYS 42 10.445 6.256 3.594 349 HB3 LYS 42 HB3 LYS 42 8.854 5.521 3.719 350 HG2 LYS 42 HG2 LYS 42 7.757 7.524 3.343 351 HG3 LYS 42 HG3 LYS 42 9.154 8.493 3.819 352 HD2 LYS 42 HD2 LYS 42 8.951 6.795 1.331 353 HD3 LYS 42 HD3 LYS 42 8.771 8.549 1.390 354 HE2 LYS 42 HE2 LYS 42 11.239 7.139 2.356 355 HE3 LYS 42 HE3 LYS 42 11.040 7.650 0.681 356 HZ1 LYS 42 HZ1 LYS 42 10.769 9.529 2.960 357 HZ2 LYS 42 HZ2 LYS 42 10.989 9.896 1.314 358 HZ3 LYS 42 HZ3 LYS 42 12.259 9.220 2.209 359 H LEU 43 H LEU 43 8.528 8.359 6.863 360 HA LEU 43 HA LEU 43 6.445 6.931 8.162 361 HB2 LEU 43 HB2 LEU 43 6.769 9.920 7.896 362 HB3 LEU 43 HB3 LEU 43 5.797 9.078 9.085 363 HG LEU 43 HG LEU 43 8.810 8.991 8.904 364 HD11 LEU 43 HD11 LEU 43 7.973 11.148 9.667 365 HD12 LEU 43 HD12 LEU 43 8.736 10.264 10.990 366 HD13 LEU 43 HD13 LEU 43 6.977 10.344 10.881 367 HD21 LEU 43 HD21 LEU 43 8.698 7.789 11.026 368 HD22 LEU 43 HD22 LEU 43 7.868 6.897 9.751 369 HD23 LEU 43 HD23 LEU 43 6.937 7.799 10.947 370 H LEU 44 H LEU 44 4.148 7.847 8.145 371 HA LEU 44 HA LEU 44 2.987 7.300 5.660 372 HB2 LEU 44 HB2 LEU 44 1.904 7.024 7.872 373 HB3 LEU 44 HB3 LEU 44 1.781 8.768 8.006 374 HG LEU 44 HG LEU 44 0.340 8.748 5.950 375 HD11 LEU 44 HD11 LEU 44 0.395 5.770 6.412 376 HD12 LEU 44 HD12 LEU 44 1.064 6.623 5.021 377 HD13 LEU 44 HD13 LEU 44 -0.677 6.622 5.300 378 HD21 LEU 44 HD21 LEU 44 -0.613 7.164 8.331 379 HD22 LEU 44 HD22 LEU 44 -1.652 7.916 7.121 380 HD23 LEU 44 HD23 LEU 44 -0.638 8.918 8.160 381 H LYS 45 H LYS 45 3.773 10.362 7.230 382 HA LYS 45 HA LYS 45 2.722 11.825 4.928 383 HB2 LYS 45 HB2 LYS 45 3.210 13.861 6.280 384 HB3 LYS 45 HB3 LYS 45 2.062 12.766 7.033 385 HG2 LYS 45 HG2 LYS 45 3.539 12.142 8.690 386 HG3 LYS 45 HG3 LYS 45 4.956 12.597 7.741 387 HD2 LYS 45 HD2 LYS 45 2.945 14.594 8.759 388 HD3 LYS 45 HD3 LYS 45 4.390 14.131 9.664 389 HE2 LYS 45 HE2 LYS 45 5.809 14.909 7.879 390 HE3 LYS 45 HE3 LYS 45 4.412 15.239 6.861 391 HZ1 LYS 45 HZ1 LYS 45 3.715 16.949 8.385 392 HZ2 LYS 45 HZ2 LYS 45 5.309 17.245 7.890 393 HZ3 LYS 45 HZ3 LYS 45 5.005 16.605 9.432 394 H ASP 46 H ASP 46 5.425 10.230 5.466 395 HA ASP 46 HA ASP 46 7.270 12.289 4.487 396 HB2 ASP 46 HB2 ASP 46 7.868 10.570 6.325 397 HB3 ASP 46 HB3 ASP 46 7.954 9.395 5.019 398 H ILE 47 H ILE 47 4.995 10.367 3.290 399 HA ILE 47 HA ILE 47 6.356 9.241 1.008 400 HB ILE 47 HB ILE 47 3.372 9.502 1.441 401 HG12 ILE 47 HG12 ILE 47 4.376 8.304 3.336 402 HG13 ILE 47 HG13 ILE 47 3.423 7.215 2.335 403 HG21 ILE 47 HG21 ILE 47 3.235 7.606 -0.112 404 HG22 ILE 47 HG22 ILE 47 4.988 7.644 -0.304 405 HG23 ILE 47 HG23 ILE 47 4.013 9.008 -0.850 406 HD11 ILE 47 HD11 ILE 47 5.480 6.171 3.053 407 HD12 ILE 47 HD12 ILE 47 6.417 7.474 2.319 408 HD13 ILE 47 HD13 ILE 47 5.470 6.386 1.303 409 H LYS 48 H LYS 48 7.104 10.737 -0.401 410 HA LYS 48 HA LYS 48 5.517 13.021 -1.160 411 HB2 LYS 48 HB2 LYS 48 8.087 11.866 -2.261 412 HB3 LYS 48 HB3 LYS 48 7.286 13.249 -2.986 413 HG2 LYS 48 HG2 LYS 48 9.039 14.064 -1.610 414 HG3 LYS 48 HG3 LYS 48 7.517 14.432 -0.799 415 HD2 LYS 48 HD2 LYS 48 7.821 12.604 0.727 416 HD3 LYS 48 HD3 LYS 48 9.233 12.037 -0.167 417 HE2 LYS 48 HE2 LYS 48 9.909 13.218 1.844 418 HE3 LYS 48 HE3 LYS 48 10.421 14.092 0.403 419 HZ1 LYS 48 HZ1 LYS 48 8.037 14.740 2.058 420 HZ2 LYS 48 HZ2 LYS 48 8.552 15.595 0.684 421 HZ3 LYS 48 HZ3 LYS 48 9.515 15.572 2.080 422 H ARG 49 H ARG 49 4.302 13.243 -3.014 423 HA ARG 49 HA ARG 49 3.051 11.014 -4.112 424 HB2 ARG 49 HB2 ARG 49 2.246 12.587 -5.876 425 HB3 ARG 49 HB3 ARG 49 2.026 13.191 -4.239 426 HG2 ARG 49 HG2 ARG 49 4.121 14.503 -4.520 427 HG3 ARG 49 HG3 ARG 49 4.140 14.011 -6.214 428 HD2 ARG 49 HD2 ARG 49 3.134 16.142 -6.172 429 HD3 ARG 49 HD3 ARG 49 1.812 14.992 -6.375 430 HE ARG 49 HE ARG 49 2.108 15.449 -3.647 431 HH11 ARG 49 HH11 ARG 49 1.236 17.252 -6.524 432 HH12 ARG 49 HH12 ARG 49 0.228 18.385 -5.665 433 HH21 ARG 49 HH21 ARG 49 0.831 16.964 -2.506 434 HH22 ARG 49 HH22 ARG 49 0.020 18.236 -3.376 435 H THR 50 H THR 50 5.962 12.687 -5.108 436 HA THR 50 HA THR 50 6.257 11.400 -7.617 437 HB THR 50 HB THR 50 8.618 12.353 -6.051 438 HG1 THR 50 HG1 THR 50 7.646 14.478 -7.211 439 HG21 THR 50 HG21 THR 50 8.900 11.525 -8.347 440 HG22 THR 50 HG22 THR 50 9.259 13.248 -8.242 441 HG23 THR 50 HG23 THR 50 7.722 12.708 -8.916 442 H GLU 51 H GLU 51 7.357 10.658 -4.343 443 HA GLU 51 HA GLU 51 8.997 8.445 -4.976 444 HB2 GLU 51 HB2 GLU 51 7.395 8.957 -2.460 445 HB3 GLU 51 HB3 GLU 51 8.719 7.814 -2.615 446 HG2 GLU 51 HG2 GLU 51 8.984 10.785 -2.983 447 HG3 GLU 51 HG3 GLU 51 9.328 9.926 -1.483 448 H TYR 52 H TYR 52 5.595 8.800 -4.183 449 HA TYR 52 HA TYR 52 4.923 6.064 -4.204 450 HB2 TYR 52 HB2 TYR 52 3.515 7.829 -3.201 451 HB3 TYR 52 HB3 TYR 52 3.182 8.466 -4.808 452 HD1 TYR 52 HD1 TYR 52 3.031 5.154 -3.073 453 HD2 TYR 52 HD2 TYR 52 1.122 7.928 -5.673 454 HE1 TYR 52 HE1 TYR 52 1.095 3.654 -3.249 455 HE2 TYR 52 HE2 TYR 52 -0.817 6.428 -5.858 456 HH TYR 52 HH TYR 52 -1.231 3.710 -3.810 457 H GLN 53 H GLN 53 5.062 8.519 -6.729 458 HA GLN 53 HA GLN 53 3.929 7.033 -8.819 459 HB2 GLN 53 HB2 GLN 53 4.397 9.441 -8.987 460 HB3 GLN 53 HB3 GLN 53 6.125 9.112 -8.959 461 HG2 GLN 53 HG2 GLN 53 5.390 9.551 -11.215 462 HG3 GLN 53 HG3 GLN 53 5.917 7.875 -11.062 463 HE21 GLN 53 HE21 GLN 53 4.385 6.221 -11.149 464 HE22 GLN 53 HE22 GLN 53 2.791 6.492 -11.758 465 H LYS 54 H LYS 54 7.273 7.255 -7.667 466 HA LYS 54 HA LYS 54 8.476 5.546 -9.536 467 HB2 LYS 54 HB2 LYS 54 9.180 5.930 -6.620 468 HB3 LYS 54 HB3 LYS 54 10.223 5.208 -7.837 469 HG2 LYS 54 HG2 LYS 54 10.424 7.282 -8.994 470 HG3 LYS 54 HG3 LYS 54 9.198 8.030 -7.965 471 HD2 LYS 54 HD2 LYS 54 10.652 7.697 -6.015 472 HD3 LYS 54 HD3 LYS 54 11.881 6.990 -7.065 473 HE2 LYS 54 HE2 LYS 54 12.103 9.077 -8.264 474 HE3 LYS 54 HE3 LYS 54 10.795 9.790 -7.320 475 HZ1 LYS 54 HZ1 LYS 54 13.375 8.827 -6.207 476 HZ2 LYS 54 HZ2 LYS 54 12.124 9.578 -5.339 477 HZ3 LYS 54 HZ3 LYS 54 12.985 10.449 -6.512 478 H PHE 55 H PHE 55 7.028 4.886 -6.385 479 HA PHE 55 HA PHE 55 7.505 2.152 -6.233 480 HB2 PHE 55 HB2 PHE 55 6.700 3.419 -4.332 481 HB3 PHE 55 HB3 PHE 55 5.192 3.783 -5.162 482 HD1 PHE 55 HD2 PHE 55 7.211 0.828 -4.106 483 HD2 PHE 55 HD1 PHE 55 3.347 2.535 -4.631 484 HE1 PHE 55 HE2 PHE 55 6.190 -1.190 -3.136 485 HE2 PHE 55 HE1 PHE 55 2.323 0.525 -3.655 486 HZ PHE 55 HZ PHE 55 3.745 -1.341 -2.907 487 H LEU 56 H LEU 56 4.799 3.895 -7.702 488 HA LEU 56 HA LEU 56 3.354 1.588 -8.476 489 HB2 LEU 56 HB2 LEU 56 3.313 4.385 -9.601 490 HB3 LEU 56 HB3 LEU 56 2.160 3.129 -10.012 491 HG LEU 56 HG LEU 56 2.542 4.355 -7.280 492 HD11 LEU 56 HD11 LEU 56 0.325 5.300 -7.658 493 HD12 LEU 56 HD12 LEU 56 0.304 4.611 -9.282 494 HD13 LEU 56 HD13 LEU 56 1.479 5.860 -8.869 495 HD21 LEU 56 HD21 LEU 56 1.901 2.000 -7.143 496 HD22 LEU 56 HD22 LEU 56 0.546 2.303 -8.230 497 HD23 LEU 56 HD23 LEU 56 0.581 3.054 -6.635 498 H ASN 57 H ASN 57 5.670 3.658 -10.192 499 HA ASN 57 HA ASN 57 5.473 2.366 -12.684 500 HB2 ASN 57 HB2 ASN 57 7.545 4.105 -11.399 501 HB3 ASN 57 HB3 ASN 57 7.899 3.311 -12.931 502 HD21 ASN 57 HD21 ASN 57 8.049 5.308 -13.956 503 HD22 ASN 57 HD22 ASN 57 6.630 6.225 -14.372 504 H GLU 58 H GLU 58 7.499 1.758 -9.871 505 HA GLU 58 HA GLU 58 9.082 -0.278 -11.057 506 HB2 GLU 58 HB2 GLU 58 9.655 0.977 -8.967 507 HB3 GLU 58 HB3 GLU 58 8.384 0.092 -8.136 508 HG2 GLU 58 HG2 GLU 58 10.531 -0.886 -7.653 509 HG3 GLU 58 HG3 GLU 58 9.557 -2.007 -8.603 510 H TYR 59 H TYR 59 6.093 -0.296 -9.165 511 HA TYR 59 HA TYR 59 5.871 -3.122 -9.004 512 HB2 TYR 59 HB2 TYR 59 4.709 -1.365 -7.549 513 HB3 TYR 59 HB3 TYR 59 3.565 -1.183 -8.874 514 HD1 TYR 59 HD2 TYR 59 4.921 -3.577 -6.410 515 HD2 TYR 59 HD1 TYR 59 1.803 -2.739 -9.180 516 HE1 TYR 59 HE2 TYR 59 3.634 -5.473 -5.525 517 HE2 TYR 59 HE1 TYR 59 0.504 -4.634 -8.299 518 HH TYR 59 HH TYR 59 1.223 -6.172 -5.405 519 H GLY 60 H GLY 60 4.838 -0.709 -11.318 520 HA2 GLY 60 HA2 GLY 60 3.186 -2.519 -12.834 521 HA3 GLY 60 HA3 GLY 60 3.633 -0.881 -13.280 522 H LEU 61 H LEU 61 6.425 -2.461 -12.483 523 HA LEU 61 HA LEU 61 7.033 -3.137 -15.248 524 HB2 LEU 61 HB2 LEU 61 8.749 -3.213 -12.760 525 HB3 LEU 61 HB3 LEU 61 9.315 -3.593 -14.375 526 HG LEU 61 HG LEU 61 8.272 -0.900 -13.493 527 HD11 LEU 61 HD11 LEU 61 10.396 -1.405 -12.438 528 HD12 LEU 61 HD12 LEU 61 10.613 -0.189 -13.696 529 HD13 LEU 61 HD13 LEU 61 11.085 -1.862 -13.996 530 HD21 LEU 61 HD21 LEU 61 7.877 -1.341 -15.858 531 HD22 LEU 61 HD22 LEU 61 9.573 -1.779 -16.067 532 HD23 LEU 61 HD23 LEU 61 9.135 -0.124 -15.643 533 H THR 62 H THR 62 6.323 -4.650 -12.210 534 HA THR 62 HA THR 62 7.066 -7.279 -13.277 535 HB THR 62 HB THR 62 6.768 -7.987 -10.837 536 HG1 THR 62 HG1 THR 62 7.346 -5.559 -9.834 537 HG21 THR 62 HG21 THR 62 8.926 -5.981 -11.511 538 HG22 THR 62 HG22 THR 62 8.960 -7.702 -11.895 539 HG23 THR 62 HG23 THR 62 8.992 -7.173 -10.212 540 H HIS 63 H HIS 63 4.365 -5.343 -12.415 541 HA HIS 63 HA HIS 63 2.597 -7.688 -12.620 542 HB2 HIS 63 HB2 HIS 63 2.281 -5.309 -10.777 543 HB3 HIS 63 HB3 HIS 63 1.068 -6.561 -11.014 544 HD1 HIS 63 HD1 HIS 63 4.571 -6.106 -9.641 545 HD2 HIS 63 HD2 HIS 63 1.406 -8.801 -9.473 546 HE1 HIS 63 HE1 HIS 63 5.181 -7.757 -7.847 547 HE2 HIS 63 HE2 HIS 63 3.340 -9.479 -7.886 548 H SER 64 H SER 64 0.449 -7.206 -13.451 549 HA SER 64 HA SER 64 0.608 -5.202 -15.538 550 HB2 SER 64 HB2 SER 64 -0.253 -7.488 -16.016 551 HB3 SER 64 HB3 SER 64 -1.609 -7.180 -14.934 552 HG SER 64 HG SER 64 -2.413 -6.646 -16.870 553 H TYR 65 H TYR 65 -1.840 -4.282 -15.932 554 HA TYR 65 HA TYR 65 -1.883 -2.100 -14.159 555 HB2 TYR 65 HB2 TYR 65 -2.572 -1.943 -16.508 556 HB3 TYR 65 HB3 TYR 65 -3.968 -2.960 -16.171 557 HD1 TYR 65 HD1 TYR 65 -2.416 0.313 -15.409 558 HD2 TYR 65 HD2 TYR 65 -5.976 -2.030 -15.311 559 HE1 TYR 65 HE1 TYR 65 -3.708 2.323 -14.837 560 HE2 TYR 65 HE2 TYR 65 -7.282 -0.014 -14.752 561 HH TYR 65 HH TYR 65 -7.082 2.155 -13.940 562 H GLU 66 H GLU 66 -3.762 -5.069 -14.197 563 HA GLU 66 HA GLU 66 -5.853 -4.020 -12.568 564 HB2 GLU 66 HB2 GLU 66 -5.947 -6.081 -14.105 565 HB3 GLU 66 HB3 GLU 66 -5.200 -6.944 -12.765 566 HG2 GLU 66 HG2 GLU 66 -7.121 -5.910 -11.369 567 HG3 GLU 66 HG3 GLU 66 -7.895 -5.687 -12.941 568 H THR 67 H THR 67 -3.016 -6.059 -11.902 569 HA THR 67 HA THR 67 -3.572 -6.375 -9.149 570 HB THR 67 HB THR 67 -0.839 -6.484 -10.434 571 HG1 THR 67 HG1 THR 67 -3.072 -8.154 -10.620 572 HG21 THR 67 HG21 THR 67 -0.851 -6.537 -7.981 573 HG22 THR 67 HG22 THR 67 -0.368 -8.096 -8.649 574 HG23 THR 67 HG23 THR 67 -1.999 -7.875 -8.009 575 H ILE 68 H ILE 68 -1.627 -3.982 -10.923 576 HA ILE 68 HA ILE 68 -0.684 -2.676 -8.584 577 HB ILE 68 HB ILE 68 0.387 -2.361 -10.803 578 HG12 ILE 68 HG12 ILE 68 -0.575 0.190 -9.494 579 HG13 ILE 68 HG13 ILE 68 0.807 -0.773 -8.982 580 HG21 ILE 68 HG21 ILE 68 -2.021 -0.663 -11.423 581 HG22 ILE 68 HG22 ILE 68 -1.593 -2.190 -12.197 582 HG23 ILE 68 HG23 ILE 68 -0.560 -0.774 -12.402 583 HD11 ILE 68 HD11 ILE 68 1.918 -0.306 -11.096 584 HD12 ILE 68 HD12 ILE 68 1.504 1.181 -10.244 585 HD13 ILE 68 HD13 ILE 68 0.533 0.650 -11.618 586 H ARG 69 H ARG 69 -3.578 -2.371 -10.548 587 HA ARG 69 HA ARG 69 -4.678 -0.101 -9.288 588 HB2 ARG 69 HB2 ARG 69 -5.485 -1.144 -11.421 589 HB3 ARG 69 HB3 ARG 69 -6.174 -2.448 -10.468 590 HG2 ARG 69 HG2 ARG 69 -7.609 -0.813 -9.316 591 HG3 ARG 69 HG3 ARG 69 -6.955 0.455 -10.357 592 HD2 ARG 69 HD2 ARG 69 -7.711 -0.944 -12.317 593 HD3 ARG 69 HD3 ARG 69 -8.582 -1.944 -11.156 594 HE ARG 69 HE ARG 69 -9.254 0.794 -10.821 595 HH11 ARG 69 HH11 ARG 69 -9.826 -1.989 -12.870 596 HH12 ARG 69 HH12 ARG 69 -11.322 -1.376 -13.512 597 HH21 ARG 69 HH21 ARG 69 -11.239 1.597 -11.646 598 HH22 ARG 69 HH22 ARG 69 -12.121 0.656 -12.815 599 H LYS 70 H LYS 70 -4.873 -3.572 -8.547 600 HA LYS 70 HA LYS 70 -6.591 -3.422 -6.336 601 HB2 LYS 70 HB2 LYS 70 -4.570 -5.349 -7.319 602 HB3 LYS 70 HB3 LYS 70 -4.946 -5.447 -5.607 603 HG2 LYS 70 HG2 LYS 70 -6.278 -6.990 -6.984 604 HG3 LYS 70 HG3 LYS 70 -7.270 -5.843 -6.084 605 HD2 LYS 70 HD2 LYS 70 -7.499 -4.470 -8.102 606 HD3 LYS 70 HD3 LYS 70 -6.514 -5.626 -8.999 607 HE2 LYS 70 HE2 LYS 70 -9.074 -6.374 -7.610 608 HE3 LYS 70 HE3 LYS 70 -9.013 -5.836 -9.287 609 HZ1 LYS 70 HZ1 LYS 70 -7.410 -7.699 -9.675 610 HZ2 LYS 70 HZ2 LYS 70 -8.988 -8.177 -9.310 611 HZ3 LYS 70 HZ3 LYS 70 -7.783 -8.273 -8.123 612 H LEU 71 H LEU 71 -3.050 -3.341 -6.470 613 HA LEU 71 HA LEU 71 -2.481 -2.836 -3.805 614 HB2 LEU 71 HB2 LEU 71 -0.746 -3.318 -5.390 615 HB3 LEU 71 HB3 LEU 71 -1.136 -1.896 -6.336 616 HG LEU 71 HG LEU 71 -0.379 -0.484 -4.425 617 HD11 LEU 71 HD11 LEU 71 0.566 -3.123 -3.313 618 HD12 LEU 71 HD12 LEU 71 -0.684 -2.087 -2.625 619 HD13 LEU 71 HD13 LEU 71 0.988 -1.530 -2.685 620 HD21 LEU 71 HD21 LEU 71 2.003 -0.858 -4.833 621 HD22 LEU 71 HD22 LEU 71 1.067 -0.947 -6.326 622 HD23 LEU 71 HD23 LEU 71 1.634 -2.426 -5.550 623 H ASN 72 H ASN 72 -3.007 -0.505 -6.419 624 HA ASN 72 HA ASN 72 -2.897 1.894 -5.078 625 HB2 ASN 72 HB2 ASN 72 -3.158 1.726 -7.497 626 HB3 ASN 72 HB3 ASN 72 -4.770 1.051 -7.304 627 HD21 ASN 72 HD21 ASN 72 -5.848 2.587 -8.402 628 HD22 ASN 72 HD22 ASN 72 -5.995 4.226 -7.885 629 H SER 73 H SER 73 -5.706 -0.255 -5.429 630 HA SER 73 HA SER 73 -7.585 1.340 -4.108 631 HB2 SER 73 HB2 SER 73 -8.185 -0.625 -5.468 632 HB3 SER 73 HB3 SER 73 -7.453 -1.681 -4.261 633 HG SER 73 HG SER 73 -9.286 0.034 -3.183 634 H TYR 74 H TYR 74 -5.387 -1.152 -2.829 635 HA TYR 74 HA TYR 74 -6.398 -1.099 -0.181 636 HB2 TYR 74 HB2 TYR 74 -3.570 -1.812 -0.987 637 HB3 TYR 74 HB3 TYR 74 -4.432 -2.342 0.450 638 HD1 TYR 74 HD1 TYR 74 -7.068 -3.019 -0.984 639 HD2 TYR 74 HD2 TYR 74 -3.005 -3.943 -1.841 640 HE1 TYR 74 HE1 TYR 74 -7.785 -5.042 -2.186 641 HE2 TYR 74 HE2 TYR 74 -3.709 -5.964 -3.043 642 HH TYR 74 HH TYR 74 -5.532 -7.449 -3.245 643 H ILE 75 H ILE 75 -3.723 0.562 -1.778 644 HA ILE 75 HA ILE 75 -2.702 1.852 0.505 645 HB ILE 75 HB ILE 75 -2.520 2.617 -2.411 646 HG12 ILE 75 HG12 ILE 75 -0.560 1.213 -0.578 647 HG13 ILE 75 HG13 ILE 75 -1.564 0.418 -1.787 648 HG21 ILE 75 HG21 ILE 75 -0.595 3.998 -1.759 649 HG22 ILE 75 HG22 ILE 75 -0.944 3.662 -0.063 650 HG23 ILE 75 HG23 ILE 75 -2.097 4.574 -1.036 651 HD11 ILE 75 HD11 ILE 75 0.589 2.451 -2.330 652 HD12 ILE 75 HD12 ILE 75 -0.415 1.663 -3.548 653 HD13 ILE 75 HD13 ILE 75 0.708 0.708 -2.579 654 H ARG 76 H ARG 76 -5.090 2.904 -1.914 655 HA ARG 76 HA ARG 76 -5.408 5.511 -0.869 656 HB2 ARG 76 HB2 ARG 76 -7.322 3.816 -2.478 657 HB3 ARG 76 HB3 ARG 76 -7.583 5.514 -2.100 658 HG2 ARG 76 HG2 ARG 76 -5.408 6.003 -3.246 659 HG3 ARG 76 HG3 ARG 76 -5.402 4.323 -3.786 660 HD2 ARG 76 HD2 ARG 76 -7.531 4.676 -4.925 661 HD3 ARG 76 HD3 ARG 76 -7.560 6.351 -4.369 662 HE ARG 76 HE ARG 76 -5.308 5.419 -6.001 663 HH11 ARG 76 HH11 ARG 76 -8.183 7.403 -5.681 664 HH12 ARG 76 HH12 ARG 76 -7.828 8.364 -7.091 665 HH21 ARG 76 HH21 ARG 76 -4.831 6.703 -7.829 666 HH22 ARG 76 HH22 ARG 76 -5.903 7.990 -8.291 667 H ASN 77 H ASN 77 -7.045 2.459 -0.189 668 HA ASN 77 HA ASN 77 -9.011 3.528 1.539 669 HB2 ASN 77 HB2 ASN 77 -9.041 1.234 0.478 670 HB3 ASN 77 HB3 ASN 77 -7.839 0.743 1.665 671 HD21 ASN 77 HD21 ASN 77 -10.493 2.950 2.328 672 HD22 ASN 77 HD22 ASN 77 -11.338 1.888 3.400 673 H ALA 78 H ALA 78 -5.718 2.405 2.042 674 HA ALA 78 HA ALA 78 -5.724 2.519 4.868 675 HB1 ALA 78 HB1 ALA 78 -4.026 1.296 3.603 676 HB2 ALA 78 HB2 ALA 78 -3.291 2.473 4.692 677 HB3 ALA 78 HB3 ALA 78 -3.404 2.817 2.965 678 H PHE 79 H PHE 79 -4.652 4.876 2.407 679 HA PHE 79 HA PHE 79 -3.934 6.889 4.261 680 HB2 PHE 79 HB2 PHE 79 -4.502 6.849 1.326 681 HB3 PHE 79 HB3 PHE 79 -4.428 8.404 2.146 682 HD1 PHE 79 HD1 PHE 79 -2.327 8.871 3.543 683 HD2 PHE 79 HD2 PHE 79 -2.561 5.842 0.568 684 HE1 PHE 79 HE1 PHE 79 0.125 8.880 3.349 685 HE2 PHE 79 HE2 PHE 79 -0.111 5.841 0.370 686 HZ PHE 79 HZ PHE 79 1.237 7.360 1.762 687 H ASP 80 H ASP 80 -6.938 6.178 2.560 688 HA ASP 80 HA ASP 80 -8.348 8.492 3.308 689 HB2 ASP 80 HB2 ASP 80 -9.134 7.037 1.519 690 HB3 ASP 80 HB3 ASP 80 -9.381 5.725 2.666 691 H ASP 81 H ASP 81 -7.860 5.413 4.925 692 HA ASP 81 HA ASP 81 -9.674 5.819 7.052 693 HB2 ASP 81 HB2 ASP 81 -8.582 3.635 6.457 694 HB3 ASP 81 HB3 ASP 81 -7.079 4.261 7.125 695 H ALA 82 H ALA 82 -6.237 6.529 6.664 696 HA ALA 82 HA ALA 82 -5.822 7.567 9.267 697 HB1 ALA 82 HB1 ALA 82 -4.255 8.067 6.737 698 HB2 ALA 82 HB2 ALA 82 -4.000 6.735 7.866 699 HB3 ALA 82 HB3 ALA 82 -3.707 8.396 8.383 700 H ILE 83 H ILE 83 -6.431 9.130 6.138 701 HA ILE 83 HA ILE 83 -6.166 11.780 7.068 702 HB ILE 83 HB ILE 83 -6.110 11.011 4.666 703 HG12 ILE 83 HG12 ILE 83 -7.931 13.343 5.292 704 HG13 ILE 83 HG13 ILE 83 -6.170 13.392 5.334 705 HG21 ILE 83 HG21 ILE 83 -9.106 11.079 4.994 706 HG22 ILE 83 HG22 ILE 83 -8.111 9.682 4.572 707 HG23 ILE 83 HG23 ILE 83 -8.262 11.029 3.443 708 HD11 ILE 83 HD11 ILE 83 -7.021 14.368 3.289 709 HD12 ILE 83 HD12 ILE 83 -7.868 12.869 2.905 710 HD13 ILE 83 HD13 ILE 83 -6.104 12.902 2.944 711 H HIS 84 H HIS 84 -8.848 9.542 6.997 712 HA HIS 84 HA HIS 84 -10.950 11.330 7.501 713 HB2 HIS 84 HB2 HIS 84 -11.165 8.901 6.857 714 HB3 HIS 84 HB3 HIS 84 -10.737 8.488 8.514 715 HD1 HIS 84 HD1 HIS 84 -12.544 8.679 10.284 716 HD2 HIS 84 HD2 HIS 84 -13.696 10.147 6.563 717 HE1 HIS 84 HE1 HIS 84 -15.039 9.012 10.424 718 HE2 HIS 84 HE2 HIS 84 -15.672 10.092 8.238 719 H GLU 85 H GLU 85 -8.524 9.919 9.557 720 HA GLU 85 HA GLU 85 -9.843 10.988 11.951 721 HB2 GLU 85 HB2 GLU 85 -7.854 8.847 11.455 722 HB3 GLU 85 HB3 GLU 85 -7.672 9.753 12.951 723 HG2 GLU 85 HG2 GLU 85 -8.988 7.747 13.299 724 HG3 GLU 85 HG3 GLU 85 -9.948 9.193 13.591 725 H GLY 86 H GLY 86 -7.816 12.070 9.666 726 HA2 GLY 86 HA2 GLY 86 -6.715 14.106 9.600 727 HA3 GLY 86 HA3 GLY 86 -6.969 14.262 11.332 728 H TYR 87 H TYR 87 -5.528 11.379 10.096 729 HA TYR 87 HA TYR 87 -3.165 11.743 11.637 730 HB2 TYR 87 HB2 TYR 87 -4.317 9.549 10.844 731 HB3 TYR 87 HB3 TYR 87 -3.411 9.792 9.357 732 HD1 TYR 87 HD1 TYR 87 -0.793 10.563 10.089 733 HD2 TYR 87 HD2 TYR 87 -3.397 7.900 12.136 734 HE1 TYR 87 HE1 TYR 87 1.155 9.456 11.102 735 HE2 TYR 87 HE2 TYR 87 -1.451 6.778 13.158 736 HH TYR 87 HH TYR 87 0.843 6.526 12.990 737 H VAL 88 H VAL 88 -3.721 11.610 8.128 738 HA VAL 88 HA VAL 88 -1.244 13.148 7.749 739 HB VAL 88 HB VAL 88 -1.382 10.862 6.692 740 HG11 VAL 88 HG11 VAL 88 -3.718 10.864 6.067 741 HG12 VAL 88 HG12 VAL 88 -2.699 10.608 4.650 742 HG13 VAL 88 HG13 VAL 88 -3.436 12.186 4.933 743 HG21 VAL 88 HG21 VAL 88 -0.468 11.577 4.519 744 HG22 VAL 88 HG22 VAL 88 0.208 12.483 5.872 745 HG23 VAL 88 HG23 VAL 88 -1.024 13.219 4.845 746 H ILE 89 H ILE 89 -1.290 14.899 6.230 747 HA ILE 89 HA ILE 89 -3.639 16.459 6.469 748 HB ILE 89 HB ILE 89 -1.576 17.623 6.460 749 HG12 ILE 89 HG12 ILE 89 -2.963 18.161 3.827 750 HG13 ILE 89 HG13 ILE 89 -3.444 18.805 5.393 751 HG21 ILE 89 HG21 ILE 89 -0.033 17.666 4.552 752 HG22 ILE 89 HG22 ILE 89 -1.018 16.444 3.746 753 HG23 ILE 89 HG23 ILE 89 -0.190 16.055 5.255 754 HD11 ILE 89 HD11 ILE 89 -2.240 20.457 4.080 755 HD12 ILE 89 HD12 ILE 89 -0.851 19.378 3.975 756 HD13 ILE 89 HD13 ILE 89 -1.343 20.032 5.536 757 H LYS 90 H LYS 90 -2.041 15.258 3.492 758 HA LYS 90 HA LYS 90 -4.681 14.771 2.354 759 HB2 LYS 90 HB2 LYS 90 -2.548 16.340 0.880 760 HB3 LYS 90 HB3 LYS 90 -4.108 15.848 0.232 761 HG2 LYS 90 HG2 LYS 90 -5.137 17.225 2.107 762 HG3 LYS 90 HG3 LYS 90 -3.524 17.898 2.342 763 HD2 LYS 90 HD2 LYS 90 -4.731 19.387 0.919 764 HD3 LYS 90 HD3 LYS 90 -3.538 18.548 -0.077 765 HE2 LYS 90 HE2 LYS 90 -5.230 17.048 -0.917 766 HE3 LYS 90 HE3 LYS 90 -6.431 17.735 0.174 767 HZ1 LYS 90 HZ1 LYS 90 -5.088 19.158 -2.061 768 HZ2 LYS 90 HZ2 LYS 90 -6.204 19.851 -0.992 769 HZ3 LYS 90 HZ3 LYS 90 -6.695 18.614 -2.040 770 H ASN 91 H ASN 91 -4.384 13.572 0.183 771 HA ASN 91 HA ASN 91 -2.631 11.350 0.832 772 HB2 ASN 91 HB2 ASN 91 -4.661 11.630 -1.393 773 HB3 ASN 91 HB3 ASN 91 -3.796 10.156 -0.977 774 HD21 ASN 91 HD21 ASN 91 -6.638 10.638 -1.053 775 HD22 ASN 91 HD22 ASN 91 -7.241 10.299 0.533 776 HA PRO 92 HA PRO 92 0.463 12.526 -2.238 777 HB2 PRO 92 HB2 PRO 92 1.596 9.903 -1.568 778 HB3 PRO 92 HB3 PRO 92 2.303 11.509 -1.367 779 HG2 PRO 92 HG2 PRO 92 1.512 10.021 0.737 780 HG3 PRO 92 HG3 PRO 92 1.405 11.790 0.733 781 HD2 PRO 92 HD2 PRO 92 -0.750 9.761 0.270 782 HD3 PRO 92 HD3 PRO 92 -0.804 11.270 1.207 783 H THR 93 H THR 93 -1.831 10.104 -2.147 784 HA THR 93 HA THR 93 -1.087 8.533 -4.403 785 HB THR 93 HB THR 93 -3.913 8.866 -3.441 786 HG1 THR 93 HG1 THR 93 -2.782 6.944 -2.036 787 HG21 THR 93 HG21 THR 93 -3.469 7.353 -5.323 788 HG22 THR 93 HG22 THR 93 -4.021 6.467 -3.901 789 HG23 THR 93 HG23 THR 93 -2.311 6.466 -4.333 790 H TYR 94 H TYR 94 -1.700 11.673 -4.351 791 HA TYR 94 HA TYR 94 -3.609 12.207 -6.320 792 HB2 TYR 94 HB2 TYR 94 -2.782 14.038 -5.064 793 HB3 TYR 94 HB3 TYR 94 -1.108 13.637 -5.427 794 HD1 TYR 94 HD2 TYR 94 -0.108 14.271 -7.548 795 HD2 TYR 94 HD1 TYR 94 -4.148 15.269 -6.659 796 HE1 TYR 94 HE2 TYR 94 -0.105 15.870 -9.406 797 HE2 TYR 94 HE1 TYR 94 -4.161 16.882 -8.514 798 HH TYR 94 HH TYR 94 -1.754 16.988 -10.898 799 H LYS 95 H LYS 95 -0.272 11.177 -6.546 800 HA LYS 95 HA LYS 95 -0.263 11.619 -9.437 801 HB2 LYS 95 HB2 LYS 95 1.592 12.386 -7.833 802 HB3 LYS 95 HB3 LYS 95 2.053 10.695 -7.746 803 HG2 LYS 95 HG2 LYS 95 3.352 12.112 -9.352 804 HG3 LYS 95 HG3 LYS 95 2.655 10.643 -10.033 805 HD2 LYS 95 HD2 LYS 95 0.861 11.913 -11.026 806 HD3 LYS 95 HD3 LYS 95 1.413 13.384 -10.225 807 HE2 LYS 95 HE2 LYS 95 2.106 13.383 -12.547 808 HE3 LYS 95 HE3 LYS 95 3.510 13.281 -11.488 809 HZ1 LYS 95 HZ1 LYS 95 2.297 11.122 -13.124 810 HZ2 LYS 95 HZ2 LYS 95 3.393 10.801 -11.878 811 HZ3 LYS 95 HZ3 LYS 95 3.875 11.734 -13.200 812 H ALA 96 H ALA 96 -1.751 9.436 -8.042 813 HA ALA 96 HA ALA 96 -0.376 7.019 -8.853 814 HB1 ALA 96 HB1 ALA 96 -1.729 7.013 -6.814 815 HB2 ALA 96 HB2 ALA 96 -2.323 5.841 -7.991 816 HB3 ALA 96 HB3 ALA 96 -3.167 7.374 -7.770 817 H GLU 97 H GLU 97 -0.229 7.771 -11.106 818 HA GLU 97 HA GLU 97 -2.659 7.770 -12.671 819 HB2 GLU 97 HB2 GLU 97 0.217 7.760 -13.592 820 HB3 GLU 97 HB3 GLU 97 -1.191 8.116 -14.582 821 HG2 GLU 97 HG2 GLU 97 -1.647 10.090 -13.212 822 HG3 GLU 97 HG3 GLU 97 -0.210 9.743 -12.250 823 H LEU 98 H LEU 98 -0.488 5.468 -11.509 824 HA LEU 98 HA LEU 98 -0.145 3.255 -11.824 825 HB2 LEU 98 HB2 LEU 98 -2.810 3.364 -13.245 826 HB3 LEU 98 HB3 LEU 98 -2.012 1.911 -12.674 827 HG LEU 98 HG LEU 98 -3.037 4.142 -10.916 828 HD11 LEU 98 HD11 LEU 98 -4.733 2.507 -10.231 829 HD12 LEU 98 HD12 LEU 98 -4.128 1.384 -11.448 830 HD13 LEU 98 HD13 LEU 98 -4.856 2.912 -11.942 831 HD21 LEU 98 HD21 LEU 98 -2.570 2.583 -9.081 832 HD22 LEU 98 HD22 LEU 98 -1.105 3.031 -9.954 833 HD23 LEU 98 HD23 LEU 98 -1.849 1.457 -10.234 834 H HIS 99 H HIS 99 1.651 3.784 -13.234 835 HA HIS 99 HA HIS 99 1.132 3.619 -16.099 836 HB2 HIS 99 HB2 HIS 99 3.657 4.186 -14.538 837 HB3 HIS 99 HB3 HIS 99 3.630 3.994 -16.286 838 HD1 HIS 99 HD1 HIS 99 2.673 5.941 -17.685 839 HD2 HIS 99 HD2 HIS 99 2.585 6.599 -13.571 840 HE1 HIS 99 HE1 HIS 99 2.195 8.397 -17.398 841 HE2 HIS 99 HE2 HIS 99 2.026 8.757 -14.900 842 H ALA 100 H ALA 100 0.724 1.569 -16.692 843 HA ALA 100 HA ALA 100 2.292 -0.623 -15.642 844 HB1 ALA 100 HB1 ALA 100 0.908 -2.049 -17.064 845 HB2 ALA 100 HB2 ALA 100 0.196 -0.623 -17.817 846 HB3 ALA 100 HB3 ALA 100 -0.093 -0.955 -16.110 847 H SER 101 H SER 101 4.359 -0.071 -16.302 848 HA SER 101 HA SER 101 4.975 0.720 -18.964 849 HB2 SER 101 HB2 SER 101 6.843 -0.206 -16.772 850 HB3 SER 101 HB3 SER 101 7.287 0.715 -18.209 851 HG SER 101 HG SER 101 6.268 1.588 -15.852 852 H VAL 102 H VAL 102 4.190 -2.255 -17.779 853 HA VAL 102 HA VAL 102 6.012 -3.971 -19.082 854 HB VAL 102 HB VAL 102 3.083 -4.460 -18.487 855 HG11 VAL 102 HG11 VAL 102 3.976 -6.060 -20.097 856 HG12 VAL 102 HG12 VAL 102 3.678 -6.835 -18.541 857 HG13 VAL 102 HG13 VAL 102 5.322 -6.412 -19.013 858 HG21 VAL 102 HG21 VAL 102 5.526 -5.089 -16.838 859 HG22 VAL 102 HG22 VAL 102 3.873 -5.568 -16.454 860 HG23 VAL 102 HG23 VAL 102 4.313 -3.859 -16.476 861 H LEU 103 H LEU 103 3.160 -2.238 -20.183 862 HA LEU 103 HA LEU 103 3.450 -3.498 -22.831 863 HB2 LEU 103 HB2 LEU 103 1.025 -2.165 -21.624 864 HB3 LEU 103 HB3 LEU 103 1.103 -2.891 -23.217 865 HG LEU 103 HG LEU 103 1.374 -4.364 -20.594 866 HD11 LEU 103 HD11 LEU 103 -0.777 -5.360 -21.205 867 HD12 LEU 103 HD12 LEU 103 -0.849 -4.316 -22.626 868 HD13 LEU 103 HD13 LEU 103 -0.897 -3.611 -21.010 869 HD21 LEU 103 HD21 LEU 103 1.334 -6.392 -21.959 870 HD22 LEU 103 HD22 LEU 103 2.726 -5.384 -22.356 871 HD23 LEU 103 HD23 LEU 103 1.323 -5.411 -23.425 872 H GLU 104 H GLU 104 4.507 -0.878 -21.376 873 HA GLU 104 HA GLU 104 3.657 1.130 -23.292 874 HB2 GLU 104 HB2 GLU 104 5.607 1.244 -20.982 875 HB3 GLU 104 HB3 GLU 104 5.218 2.614 -22.013 876 HG2 GLU 104 HG2 GLU 104 3.283 1.109 -20.270 877 HG3 GLU 104 HG3 GLU 104 3.979 2.691 -19.925 878 H HIS 105 H HIS 105 5.227 2.336 -24.593 879 HA HIS 105 HA HIS 105 7.513 0.639 -25.350 880 HB2 HIS 105 HB2 HIS 105 5.581 0.330 -26.912 881 HB3 HIS 105 HB3 HIS 105 5.702 2.038 -27.324 882 HD1 HIS 105 HD1 HIS 105 7.073 2.503 -29.347 883 HD2 HIS 105 HD2 HIS 105 8.177 -1.059 -27.490 884 HE1 HIS 105 HE1 HIS 105 8.852 1.492 -30.809 885 HE2 HIS 105 HE2 HIS 105 9.628 -0.567 -29.582 886 H HIS 106 H HIS 106 9.318 1.731 -25.085 887 HA HIS 106 HA HIS 106 9.469 4.584 -25.094 888 HB2 HIS 106 HB2 HIS 106 11.879 4.282 -24.867 889 HB3 HIS 106 HB3 HIS 106 11.037 3.180 -23.787 890 HD1 HIS 106 HD1 HIS 106 11.189 0.640 -24.324 891 HD2 HIS 106 HD2 HIS 106 13.408 3.078 -26.856 892 HE1 HIS 106 HE1 HIS 106 12.716 -0.907 -25.582 893 HE2 HIS 106 HE2 HIS 106 13.894 0.568 -27.252 894 H HIS 107 H HIS 107 10.636 5.900 -26.655 895 HA HIS 107 HA HIS 107 9.790 5.230 -29.301 896 HB2 HIS 107 HB2 HIS 107 11.513 7.528 -28.355 897 HB3 HIS 107 HB3 HIS 107 10.779 7.392 -29.948 898 HD1 HIS 107 HD1 HIS 107 10.302 9.385 -27.258 899 HD2 HIS 107 HD2 HIS 107 7.715 6.752 -29.176 900 HE1 HIS 107 HE1 HIS 107 7.984 10.152 -26.659 901 HE2 HIS 107 HE2 HIS 107 6.446 8.675 -27.998 902 H HIS 108 H HIS 108 11.110 5.070 -31.182 903 HA HIS 108 HA HIS 108 13.486 3.520 -30.842 904 HB2 HIS 108 HB2 HIS 108 12.337 4.830 -33.321 905 HB3 HIS 108 HB3 HIS 108 13.698 3.714 -33.320 906 HD1 HIS 108 HD1 HIS 108 10.094 3.814 -33.602 907 HD2 HIS 108 HD2 HIS 108 12.920 1.033 -32.345 908 HE1 HIS 108 HE1 HIS 108 8.923 1.589 -33.650 909 HE2 HIS 108 HE2 HIS 108 10.611 -0.061 -32.772 910 H HIS 109 H HIS 109 12.765 6.877 -31.581 911 HA HIS 109 HA HIS 109 15.467 7.701 -31.974 912 HB2 HIS 109 HB2 HIS 109 13.515 9.044 -32.732 913 HB3 HIS 109 HB3 HIS 109 13.084 9.336 -31.052 914 HD1 HIS 109 HD1 HIS 109 15.110 10.647 -33.792 915 HD2 HIS 109 HD2 HIS 109 15.067 10.959 -29.643 916 HE1 HIS 109 HE1 HIS 109 16.524 12.655 -33.245 917 HE2 HIS 109 HE2 HIS 109 16.624 12.719 -30.727 918 H HIS 110 H HIS 110 17.009 7.763 -30.489 919 HA HIS 110 HA HIS 110 16.466 8.588 -27.780 920 HB2 HIS 110 HB2 HIS 110 15.911 6.105 -27.861 921 HB3 HIS 110 HB3 HIS 110 17.612 5.819 -28.209 922 HD1 HIS 110 HD1 HIS 110 15.273 6.149 -25.483 923 HD2 HIS 110 HD2 HIS 110 19.347 6.803 -26.013 924 HE1 HIS 110 HE1 HIS 110 16.254 6.220 -23.167 925 HE2 HIS 110 HE2 HIS 110 18.701 6.740 -23.506 Start of MODEL 14 1 H1 MET 1 H1 MET 1 6.915 9.239 15.965 2 H2 MET 1 H2 MET 1 7.909 8.361 14.911 3 H3 MET 1 H3 MET 1 6.944 7.547 16.047 4 HA MET 1 HA MET 1 4.950 8.379 14.960 5 HB2 MET 1 HB2 MET 1 5.983 10.398 13.996 6 HB3 MET 1 HB3 MET 1 6.912 9.391 12.895 7 HG2 MET 1 HG2 MET 1 4.870 8.628 11.838 8 HG3 MET 1 HG3 MET 1 3.913 9.576 12.972 9 HE1 MET 1 HE1 MET 1 3.925 12.208 13.078 10 HE2 MET 1 HE2 MET 1 4.873 13.235 12.002 11 HE3 MET 1 HE3 MET 1 5.683 12.233 13.207 12 H ILE 2 H ILE 2 3.917 7.015 13.489 13 HA ILE 2 HA ILE 2 5.277 4.540 13.055 14 HB ILE 2 HB ILE 2 2.895 4.678 13.723 15 HG12 ILE 2 HG12 ILE 2 3.211 3.270 11.072 16 HG13 ILE 2 HG13 ILE 2 3.897 2.672 12.580 17 HG21 ILE 2 HG21 ILE 2 1.187 5.168 12.046 18 HG22 ILE 2 HG22 ILE 2 2.447 5.623 10.898 19 HG23 ILE 2 HG23 ILE 2 2.209 6.569 12.368 20 HD11 ILE 2 HD11 ILE 2 1.659 2.526 13.540 21 HD12 ILE 2 HD12 ILE 2 1.805 1.558 12.073 22 HD13 ILE 2 HD13 ILE 2 0.972 3.113 12.026 23 H THR 3 H THR 3 6.062 3.680 11.241 24 HA THR 3 HA THR 3 6.454 5.385 8.953 25 HB THR 3 HB THR 3 7.723 3.392 8.062 26 HG1 THR 3 HG1 THR 3 8.164 2.034 10.237 27 HG21 THR 3 HG21 THR 3 8.521 4.419 10.786 28 HG22 THR 3 HG22 THR 3 8.838 5.216 9.245 29 HG23 THR 3 HG23 THR 3 9.599 3.667 9.611 30 H PHE 4 H PHE 4 6.019 4.560 6.739 31 HA PHE 4 HA PHE 4 3.276 4.008 6.470 32 HB2 PHE 4 HB2 PHE 4 4.496 5.229 4.760 33 HB3 PHE 4 HB3 PHE 4 5.496 3.819 4.426 34 HD1 PHE 4 HD2 PHE 4 1.818 4.234 4.870 35 HD2 PHE 4 HD1 PHE 4 5.012 3.051 2.316 36 HE1 PHE 4 HE2 PHE 4 0.190 3.465 3.191 37 HE2 PHE 4 HE1 PHE 4 3.388 2.283 0.635 38 HZ PHE 4 HZ PHE 4 0.975 2.490 1.071 39 H ALA 5 H ALA 5 6.118 1.925 6.186 40 HA ALA 5 HA ALA 5 4.803 -0.377 5.255 41 HB1 ALA 5 HB1 ALA 5 7.291 -0.188 6.953 42 HB2 ALA 5 HB2 ALA 5 7.234 -0.133 5.191 43 HB3 ALA 5 HB3 ALA 5 6.766 -1.605 6.043 44 H ASP 6 H ASP 6 5.620 0.669 8.550 45 HA ASP 6 HA ASP 6 4.501 -1.588 9.840 46 HB2 ASP 6 HB2 ASP 6 6.172 -0.011 10.849 47 HB3 ASP 6 HB3 ASP 6 4.888 1.185 10.988 48 H TYR 7 H TYR 7 3.241 1.578 8.954 49 HA TYR 7 HA TYR 7 0.778 1.403 10.312 50 HB2 TYR 7 HB2 TYR 7 1.691 3.519 9.425 51 HB3 TYR 7 HB3 TYR 7 1.437 2.934 7.784 52 HD1 TYR 7 HD2 TYR 7 -0.236 4.084 10.855 53 HD2 TYR 7 HD1 TYR 7 -0.749 2.970 6.781 54 HE1 TYR 7 HE2 TYR 7 -2.514 5.002 10.896 55 HE2 TYR 7 HE1 TYR 7 -3.034 3.880 6.812 56 HH TYR 7 HH TYR 7 -4.768 4.462 8.328 57 H PHE 8 H PHE 8 1.606 0.726 6.917 58 HA PHE 8 HA PHE 8 -0.947 0.094 6.020 59 HB2 PHE 8 HB2 PHE 8 0.996 0.451 4.541 60 HB3 PHE 8 HB3 PHE 8 1.681 -1.077 5.080 61 HD1 PHE 8 HD1 PHE 8 -1.179 0.428 3.281 62 HD2 PHE 8 HD2 PHE 8 1.058 -3.104 4.078 63 HE1 PHE 8 HE1 PHE 8 -2.383 -0.740 1.481 64 HE2 PHE 8 HE2 PHE 8 -0.140 -4.275 2.278 65 HZ PHE 8 HZ PHE 8 -1.863 -3.093 0.976 66 H TYR 9 H TYR 9 1.528 -2.039 7.390 67 HA TYR 9 HA TYR 9 0.046 -4.424 7.056 68 HB2 TYR 9 HB2 TYR 9 2.526 -4.271 7.408 69 HB3 TYR 9 HB3 TYR 9 2.208 -3.892 9.098 70 HD1 TYR 9 HD2 TYR 9 1.932 -6.503 6.510 71 HD2 TYR 9 HD1 TYR 9 1.617 -5.603 10.653 72 HE1 TYR 9 HE2 TYR 9 1.842 -8.906 7.015 73 HE2 TYR 9 HE1 TYR 9 1.524 -8.000 11.175 74 HH TYR 9 HH TYR 9 2.315 -10.407 8.886 75 H GLN 10 H GLN 10 0.485 -2.237 9.815 76 HA GLN 10 HA GLN 10 -1.028 -3.683 11.686 77 HB2 GLN 10 HB2 GLN 10 0.428 -1.850 12.355 78 HB3 GLN 10 HB3 GLN 10 -0.535 -0.705 11.435 79 HG2 GLN 10 HG2 GLN 10 -2.447 -1.185 12.939 80 HG3 GLN 10 HG3 GLN 10 -1.374 -2.197 13.905 81 HE21 GLN 10 HE21 GLN 10 -2.198 1.043 12.972 82 HE22 GLN 10 HE22 GLN 10 -1.232 1.851 14.165 83 H TRP 11 H TRP 11 -1.918 -1.053 9.492 84 HA TRP 11 HA TRP 11 -4.590 -0.748 10.155 85 HB2 TRP 11 HB2 TRP 11 -3.543 0.837 8.726 86 HB3 TRP 11 HB3 TRP 11 -3.091 -0.399 7.561 87 HD1 TRP 11 HD1 TRP 11 -6.285 1.380 8.850 88 HE1 TRP 11 HE1 TRP 11 -7.974 1.456 6.906 89 HE3 TRP 11 HE3 TRP 11 -3.668 -1.344 5.407 90 HZ2 TRP 11 HZ2 TRP 11 -8.157 0.490 4.250 91 HZ3 TRP 11 HZ3 TRP 11 -4.670 -1.726 3.193 92 HH2 TRP 11 HH2 TRP 11 -6.868 -0.830 2.633 93 H TYR 12 H TYR 12 -3.128 -2.961 7.796 94 HA TYR 12 HA TYR 12 -5.549 -4.152 6.960 95 HB2 TYR 12 HB2 TYR 12 -3.663 -4.448 5.560 96 HB3 TYR 12 HB3 TYR 12 -2.676 -5.064 6.882 97 HD1 TYR 12 HD1 TYR 12 -5.782 -5.895 4.984 98 HD2 TYR 12 HD2 TYR 12 -2.384 -7.344 7.090 99 HE1 TYR 12 HE1 TYR 12 -6.393 -8.194 4.370 100 HE2 TYR 12 HE2 TYR 12 -2.981 -9.649 6.480 101 HH TYR 12 HH TYR 12 -5.036 -10.901 5.840 102 H GLU 13 H GLU 13 -3.128 -5.170 9.339 103 HA GLU 13 HA GLU 13 -4.212 -7.597 10.105 104 HB2 GLU 13 HB2 GLU 13 -2.495 -5.571 11.456 105 HB3 GLU 13 HB3 GLU 13 -3.098 -6.930 12.388 106 HG2 GLU 13 HG2 GLU 13 -1.663 -7.331 9.796 107 HG3 GLU 13 HG3 GLU 13 -0.790 -7.121 11.313 108 H VAL 14 H VAL 14 -5.079 -4.365 11.210 109 HA VAL 14 HA VAL 14 -6.786 -5.379 13.305 110 HB VAL 14 HB VAL 14 -6.464 -2.559 12.258 111 HG11 VAL 14 HG11 VAL 14 -7.527 -1.870 14.355 112 HG12 VAL 14 HG12 VAL 14 -7.793 -3.563 14.773 113 HG13 VAL 14 HG13 VAL 14 -8.607 -2.861 13.376 114 HG21 VAL 14 HG21 VAL 14 -4.404 -3.436 13.206 115 HG22 VAL 14 HG22 VAL 14 -5.267 -3.928 14.665 116 HG23 VAL 14 HG23 VAL 14 -5.103 -2.216 14.270 117 H ASN 15 H ASN 15 -7.177 -4.388 9.974 118 HA ASN 15 HA ASN 15 -10.068 -4.082 10.398 119 HB2 ASN 15 HB2 ASN 15 -8.245 -3.019 8.257 120 HB3 ASN 15 HB3 ASN 15 -9.992 -3.051 8.048 121 HD21 ASN 15 HD21 ASN 15 -7.326 -1.566 9.654 122 HD22 ASN 15 HD22 ASN 15 -8.217 -0.267 10.379 123 H LYS 16 H LYS 16 -8.167 -5.119 7.549 124 HA LYS 16 HA LYS 16 -10.487 -6.559 6.642 125 HB2 LYS 16 HB2 LYS 16 -7.765 -6.138 5.425 126 HB3 LYS 16 HB3 LYS 16 -9.021 -7.092 4.655 127 HG2 LYS 16 HG2 LYS 16 -9.229 -5.038 3.638 128 HG3 LYS 16 HG3 LYS 16 -10.468 -4.977 4.891 129 HD2 LYS 16 HD2 LYS 16 -8.860 -3.754 6.339 130 HD3 LYS 16 HD3 LYS 16 -7.724 -3.725 4.989 131 HE2 LYS 16 HE2 LYS 16 -10.459 -2.460 5.084 132 HE3 LYS 16 HE3 LYS 16 -8.908 -1.625 5.089 133 HZ1 LYS 16 HZ1 LYS 16 -8.519 -2.666 2.859 134 HZ2 LYS 16 HZ2 LYS 16 -9.749 -1.504 2.908 135 HZ3 LYS 16 HZ3 LYS 16 -10.143 -3.155 2.866 136 H LEU 17 H LEU 17 -7.785 -7.391 8.484 137 HA LEU 17 HA LEU 17 -6.930 -9.811 7.517 138 HB2 LEU 17 HB2 LEU 17 -5.926 -8.575 9.408 139 HB3 LEU 17 HB3 LEU 17 -7.249 -9.113 10.428 140 HG LEU 17 HG LEU 17 -6.537 -11.479 9.953 141 HD11 LEU 17 HD11 LEU 17 -5.293 -11.066 7.910 142 HD12 LEU 17 HD12 LEU 17 -4.260 -11.816 9.127 143 HD13 LEU 17 HD13 LEU 17 -4.128 -10.087 8.799 144 HD21 LEU 17 HD21 LEU 17 -4.651 -11.407 11.516 145 HD22 LEU 17 HD22 LEU 17 -5.977 -10.371 12.043 146 HD23 LEU 17 HD23 LEU 17 -4.543 -9.660 11.299 147 HA PRO 18 HA PRO 18 -10.162 -12.321 9.925 148 HB2 PRO 18 HB2 PRO 18 -12.145 -11.161 11.313 149 HB3 PRO 18 HB3 PRO 18 -10.518 -11.346 11.980 150 HG2 PRO 18 HG2 PRO 18 -11.827 -8.934 10.807 151 HG3 PRO 18 HG3 PRO 18 -10.746 -9.057 12.206 152 HD2 PRO 18 HD2 PRO 18 -9.970 -8.256 9.677 153 HD3 PRO 18 HD3 PRO 18 -8.880 -8.908 10.914 154 H HIS 19 H HIS 19 -10.774 -10.223 7.538 155 HA HIS 19 HA HIS 19 -13.506 -11.252 7.105 156 HB2 HIS 19 HB2 HIS 19 -12.387 -8.593 6.195 157 HB3 HIS 19 HB3 HIS 19 -14.000 -9.200 5.833 158 HD2 HIS 19 HD2 HIS 19 -12.161 -7.215 8.483 159 HE1 HIS 19 HE1 HIS 19 -15.912 -8.287 10.119 160 HE2 HIS 19 HE2 HIS 19 -13.760 -7.010 10.519 161 H VAL 20 H VAL 20 -10.442 -10.388 5.578 162 HA VAL 20 HA VAL 20 -11.363 -11.288 2.989 163 HB VAL 20 HB VAL 20 -9.166 -10.693 2.159 164 HG11 VAL 20 HG11 VAL 20 -10.277 -8.632 4.058 165 HG12 VAL 20 HG12 VAL 20 -10.766 -8.899 2.382 166 HG13 VAL 20 HG13 VAL 20 -9.147 -8.302 2.744 167 HG21 VAL 20 HG21 VAL 20 -7.454 -9.744 3.668 168 HG22 VAL 20 HG22 VAL 20 -7.770 -11.452 3.973 169 HG23 VAL 20 HG23 VAL 20 -8.441 -10.225 5.049 170 H SER 21 H SER 21 -10.306 -12.930 1.762 171 HA SER 21 HA SER 21 -9.656 -15.274 3.339 172 HB2 SER 21 HB2 SER 21 -9.832 -14.981 0.329 173 HB3 SER 21 HB3 SER 21 -9.856 -16.483 1.253 174 HG SER 21 HG SER 21 -11.833 -15.848 2.152 175 H GLU 22 H GLU 22 -7.796 -16.681 2.497 176 HA GLU 22 HA GLU 22 -5.397 -15.227 2.720 177 HB2 GLU 22 HB2 GLU 22 -5.874 -18.063 1.822 178 HB3 GLU 22 HB3 GLU 22 -4.278 -17.374 2.092 179 HG2 GLU 22 HG2 GLU 22 -5.071 -16.818 4.431 180 HG3 GLU 22 HG3 GLU 22 -6.455 -17.858 4.096 181 H SER 23 H SER 23 -7.285 -16.144 -0.039 182 HA SER 23 HA SER 23 -5.395 -15.732 -2.063 183 HB2 SER 23 HB2 SER 23 -8.327 -14.986 -2.173 184 HB3 SER 23 HB3 SER 23 -7.281 -15.392 -3.533 185 HG SER 23 HG SER 23 -7.067 -17.450 -2.007 186 H THR 24 H THR 24 -7.497 -13.456 -0.336 187 HA THR 24 HA THR 24 -6.588 -11.135 -1.710 188 HB THR 24 HB THR 24 -7.821 -11.221 1.048 189 HG1 THR 24 HG1 THR 24 -9.533 -10.750 -1.037 190 HG21 THR 24 HG21 THR 24 -7.890 -9.141 -1.145 191 HG22 THR 24 HG22 THR 24 -6.935 -9.047 0.334 192 HG23 THR 24 HG23 THR 24 -8.696 -9.018 0.419 193 H LYS 25 H LYS 25 -5.610 -12.861 1.190 194 HA LYS 25 HA LYS 25 -3.873 -10.974 2.302 195 HB2 LYS 25 HB2 LYS 25 -3.604 -13.989 2.316 196 HB3 LYS 25 HB3 LYS 25 -2.726 -12.889 3.370 197 HG2 LYS 25 HG2 LYS 25 -4.890 -12.128 4.295 198 HG3 LYS 25 HG3 LYS 25 -5.697 -13.348 3.312 199 HD2 LYS 25 HD2 LYS 25 -5.461 -14.274 5.476 200 HD3 LYS 25 HD3 LYS 25 -4.257 -15.065 4.461 201 HE2 LYS 25 HE2 LYS 25 -3.548 -12.651 6.093 202 HE3 LYS 25 HE3 LYS 25 -3.586 -14.251 6.827 203 HZ1 LYS 25 HZ1 LYS 25 -1.864 -13.363 4.569 204 HZ2 LYS 25 HZ2 LYS 25 -1.993 -14.972 5.079 205 HZ3 LYS 25 HZ3 LYS 25 -1.374 -13.798 6.129 206 H ARG 26 H ARG 26 -3.407 -13.284 -0.302 207 HA ARG 26 HA ARG 26 -0.642 -13.057 -0.631 208 HB2 ARG 26 HB2 ARG 26 -2.757 -13.484 -2.753 209 HB3 ARG 26 HB3 ARG 26 -1.038 -13.796 -2.953 210 HG2 ARG 26 HG2 ARG 26 -1.109 -15.535 -1.299 211 HG3 ARG 26 HG3 ARG 26 -2.795 -15.164 -0.931 212 HD2 ARG 26 HD2 ARG 26 -3.365 -15.745 -3.286 213 HD3 ARG 26 HD3 ARG 26 -1.692 -16.255 -3.517 214 HE ARG 26 HE ARG 26 -2.609 -17.622 -1.297 215 HH11 ARG 26 HH11 ARG 26 -3.444 -17.411 -4.707 216 HH12 ARG 26 HH12 ARG 26 -4.075 -19.032 -4.775 217 HH21 ARG 26 HH21 ARG 26 -3.426 -19.746 -1.392 218 HH22 ARG 26 HH22 ARG 26 -4.070 -20.361 -2.892 219 H HIS 27 H HIS 27 -3.281 -11.093 -1.935 220 HA HIS 27 HA HIS 27 -1.631 -9.395 -3.498 221 HB2 HIS 27 HB2 HIS 27 -4.431 -9.106 -2.421 222 HB3 HIS 27 HB3 HIS 27 -3.653 -7.821 -3.339 223 HD2 HIS 27 HD2 HIS 27 -5.231 -11.330 -3.878 224 HE1 HIS 27 HE1 HIS 27 -4.268 -9.643 -7.640 225 HE2 HIS 27 HE2 HIS 27 -5.421 -11.576 -6.462 226 H TYR 28 H TYR 28 -3.064 -9.035 -0.260 227 HA TYR 28 HA TYR 28 -2.040 -6.464 0.233 228 HB2 TYR 28 HB2 TYR 28 -3.308 -8.583 1.832 229 HB3 TYR 28 HB3 TYR 28 -2.246 -7.512 2.739 230 HD1 TYR 28 HD1 TYR 28 -2.672 -5.023 2.634 231 HD2 TYR 28 HD2 TYR 28 -5.481 -7.880 1.201 232 HE1 TYR 28 HE1 TYR 28 -4.447 -3.332 2.763 233 HE2 TYR 28 HE2 TYR 28 -7.267 -6.191 1.326 234 HH TYR 28 HH TYR 28 -6.655 -2.902 1.681 235 H GLU 29 H GLU 29 -0.691 -9.672 0.936 236 HA GLU 29 HA GLU 29 1.552 -8.593 2.340 237 HB2 GLU 29 HB2 GLU 29 1.043 -11.348 1.217 238 HB3 GLU 29 HB3 GLU 29 2.454 -10.924 2.181 239 HG2 GLU 29 HG2 GLU 29 0.939 -10.262 4.024 240 HG3 GLU 29 HG3 GLU 29 -0.425 -10.821 3.058 241 H SER 30 H SER 30 0.965 -9.575 -1.006 242 HA SER 30 HA SER 30 3.635 -9.275 -1.901 243 HB2 SER 30 HB2 SER 30 1.867 -10.385 -3.251 244 HB3 SER 30 HB3 SER 30 1.065 -8.829 -3.455 245 HG SER 30 HG SER 30 2.354 -8.486 -5.066 246 H ALA 31 H ALA 31 0.890 -7.041 -1.710 247 HA ALA 31 HA ALA 31 2.155 -4.733 -2.640 248 HB1 ALA 31 HB1 ALA 31 0.460 -3.502 -1.362 249 HB2 ALA 31 HB2 ALA 31 0.037 -4.984 -0.502 250 HB3 ALA 31 HB3 ALA 31 -0.250 -4.859 -2.238 251 H TYR 32 H TYR 32 1.941 -6.098 0.611 252 HA TYR 32 HA TYR 32 3.265 -4.007 1.934 253 HB2 TYR 32 HB2 TYR 32 1.835 -5.564 3.124 254 HB3 TYR 32 HB3 TYR 32 2.914 -6.899 2.735 255 HD1 TYR 32 HD1 TYR 32 3.168 -3.505 4.290 256 HD2 TYR 32 HD2 TYR 32 4.283 -7.606 4.439 257 HE1 TYR 32 HE1 TYR 32 4.432 -3.080 6.355 258 HE2 TYR 32 HE2 TYR 32 5.551 -7.190 6.502 259 HH TYR 32 HH TYR 32 5.207 -4.447 8.363 260 H LYS 33 H LYS 33 4.538 -7.052 0.560 261 HA LYS 33 HA LYS 33 7.112 -6.756 1.681 262 HB2 LYS 33 HB2 LYS 33 7.888 -8.383 0.030 263 HB3 LYS 33 HB3 LYS 33 6.388 -8.903 0.778 264 HG2 LYS 33 HG2 LYS 33 5.142 -8.466 -1.157 265 HG3 LYS 33 HG3 LYS 33 6.437 -7.504 -1.871 266 HD2 LYS 33 HD2 LYS 33 6.635 -10.457 -1.295 267 HD3 LYS 33 HD3 LYS 33 6.191 -9.777 -2.862 268 HE2 LYS 33 HE2 LYS 33 8.340 -8.599 -2.954 269 HE3 LYS 33 HE3 LYS 33 8.780 -9.286 -1.392 270 HZ1 LYS 33 HZ1 LYS 33 9.769 -10.507 -3.234 271 HZ2 LYS 33 HZ2 LYS 33 8.234 -10.844 -3.864 272 HZ3 LYS 33 HZ3 LYS 33 8.694 -11.489 -2.365 273 H HIS 34 H HIS 34 5.709 -5.577 -1.341 274 HA HIS 34 HA HIS 34 8.174 -4.465 -2.276 275 HB2 HIS 34 HB2 HIS 34 5.302 -4.064 -3.089 276 HB3 HIS 34 HB3 HIS 34 6.613 -3.138 -3.815 277 HD1 HIS 34 HD1 HIS 34 8.477 -4.609 -5.094 278 HD2 HIS 34 HD2 HIS 34 4.942 -6.560 -4.114 279 HE1 HIS 34 HE1 HIS 34 8.388 -6.689 -6.527 280 H ILE 35 H ILE 35 5.439 -3.235 -0.426 281 HA ILE 35 HA ILE 35 6.269 -0.551 -0.262 282 HB ILE 35 HB ILE 35 4.653 -2.249 1.637 283 HG12 ILE 35 HG12 ILE 35 3.868 -0.012 -0.245 284 HG13 ILE 35 HG13 ILE 35 3.670 -1.728 -0.580 285 HG21 ILE 35 HG21 ILE 35 5.166 0.720 1.803 286 HG22 ILE 35 HG22 ILE 35 5.746 -0.502 2.934 287 HG23 ILE 35 HG23 ILE 35 4.018 -0.184 2.790 288 HD11 ILE 35 HD11 ILE 35 2.331 -0.190 1.631 289 HD12 ILE 35 HD12 ILE 35 2.138 -1.913 1.312 290 HD13 ILE 35 HD13 ILE 35 1.581 -0.729 0.129 291 H LYS 36 H LYS 36 6.950 -3.334 1.839 292 HA LYS 36 HA LYS 36 8.576 -1.983 3.699 293 HB2 LYS 36 HB2 LYS 36 7.628 -4.205 4.122 294 HB3 LYS 36 HB3 LYS 36 8.623 -4.888 2.845 295 HG2 LYS 36 HG2 LYS 36 10.639 -4.211 4.152 296 HG3 LYS 36 HG3 LYS 36 9.558 -3.730 5.461 297 HD2 LYS 36 HD2 LYS 36 9.736 -6.502 4.277 298 HD3 LYS 36 HD3 LYS 36 10.495 -5.986 5.785 299 HE2 LYS 36 HE2 LYS 36 8.297 -5.474 6.717 300 HE3 LYS 36 HE3 LYS 36 7.535 -5.976 5.208 301 HZ1 LYS 36 HZ1 LYS 36 9.101 -7.710 7.050 302 HZ2 LYS 36 HZ2 LYS 36 8.449 -8.207 5.564 303 HZ3 LYS 36 HZ3 LYS 36 7.420 -7.737 6.827 304 H ASP 37 H ASP 37 9.210 -3.240 0.527 305 HA ASP 37 HA ASP 37 12.069 -3.261 0.798 306 HB2 ASP 37 HB2 ASP 37 10.920 -4.807 -0.723 307 HB3 ASP 37 HB3 ASP 37 10.326 -3.446 -1.669 308 H HIS 38 H HIS 38 9.677 -1.094 -0.666 309 HA HIS 38 HA HIS 38 11.732 0.732 -1.583 310 HB2 HIS 38 HB2 HIS 38 8.750 0.655 -1.755 311 HB3 HIS 38 HB3 HIS 38 9.576 2.190 -1.998 312 HD1 HIS 38 HD1 HIS 38 9.787 2.640 -4.407 313 HD2 HIS 38 HD2 HIS 38 10.271 -1.405 -3.544 314 HE1 HIS 38 HE1 HIS 38 10.247 1.525 -6.610 315 HE2 HIS 38 HE2 HIS 38 10.712 -0.892 -6.045 316 H PHE 39 H PHE 39 9.281 0.653 0.958 317 HA PHE 39 HA PHE 39 10.475 3.091 2.096 318 HB2 PHE 39 HB2 PHE 39 7.654 2.085 2.528 319 HB3 PHE 39 HB3 PHE 39 8.320 3.633 3.038 320 HD1 PHE 39 HD1 PHE 39 9.232 5.150 1.105 321 HD2 PHE 39 HD2 PHE 39 6.449 1.975 0.566 322 HE1 PHE 39 HE1 PHE 39 8.484 6.170 -1.007 323 HE2 PHE 39 HE2 PHE 39 5.697 2.987 -1.545 324 HZ PHE 39 HZ PHE 39 6.712 5.085 -2.336 325 H ARG 40 H ARG 40 12.009 1.975 3.274 326 HA ARG 40 HA ARG 40 11.249 -0.258 4.945 327 HB2 ARG 40 HB2 ARG 40 13.885 1.195 4.652 328 HB3 ARG 40 HB3 ARG 40 13.643 -0.279 5.579 329 HG2 ARG 40 HG2 ARG 40 12.960 -1.431 3.507 330 HG3 ARG 40 HG3 ARG 40 13.308 0.044 2.603 331 HD2 ARG 40 HD2 ARG 40 15.170 -1.502 2.448 332 HD3 ARG 40 HD3 ARG 40 15.642 -0.064 3.351 333 HE ARG 40 HE ARG 40 14.884 -1.785 5.303 334 HH11 ARG 40 HH11 ARG 40 17.062 -2.092 2.569 335 HH12 ARG 40 HH12 ARG 40 18.125 -3.208 3.380 336 HH21 ARG 40 HH21 ARG 40 16.296 -3.237 6.378 337 HH22 ARG 40 HH22 ARG 40 17.680 -3.871 5.532 338 H HIS 41 H HIS 41 12.216 3.110 5.364 339 HA HIS 41 HA HIS 41 11.239 2.955 8.134 340 HB2 HIS 41 HB2 HIS 41 13.918 3.037 7.575 341 HB3 HIS 41 HB3 HIS 41 13.541 4.749 7.733 342 HD1 HIS 41 HD1 HIS 41 13.853 5.581 10.031 343 HD2 HIS 41 HD2 HIS 41 12.742 1.572 9.963 344 HE1 HIS 41 HE1 HIS 41 13.797 4.847 12.440 345 HE2 HIS 41 HE2 HIS 41 12.988 2.455 12.381 346 H LYS 42 H LYS 42 10.261 3.975 5.527 347 HA LYS 42 HA LYS 42 10.302 6.851 5.640 348 HB2 LYS 42 HB2 LYS 42 9.930 5.123 3.638 349 HB3 LYS 42 HB3 LYS 42 8.249 5.336 4.096 350 HG2 LYS 42 HG2 LYS 42 8.474 6.926 2.470 351 HG3 LYS 42 HG3 LYS 42 8.824 7.875 3.917 352 HD2 LYS 42 HD2 LYS 42 11.160 7.772 3.528 353 HD3 LYS 42 HD3 LYS 42 10.966 6.537 2.281 354 HE2 LYS 42 HE2 LYS 42 9.703 8.209 0.928 355 HE3 LYS 42 HE3 LYS 42 10.107 9.424 2.140 356 HZ1 LYS 42 HZ1 LYS 42 12.035 7.880 0.497 357 HZ2 LYS 42 HZ2 LYS 42 12.456 8.997 1.701 358 HZ3 LYS 42 HZ3 LYS 42 11.646 9.521 0.306 359 H LEU 43 H LEU 43 8.936 8.122 6.788 360 HA LEU 43 HA LEU 43 6.935 7.027 8.490 361 HB2 LEU 43 HB2 LEU 43 7.409 9.886 7.637 362 HB3 LEU 43 HB3 LEU 43 6.317 9.390 8.913 363 HG LEU 43 HG LEU 43 9.314 9.034 8.926 364 HD11 LEU 43 HD11 LEU 43 9.289 10.727 10.660 365 HD12 LEU 43 HD12 LEU 43 7.536 10.869 10.524 366 HD13 LEU 43 HD13 LEU 43 8.567 11.359 9.179 367 HD21 LEU 43 HD21 LEU 43 7.239 8.391 11.022 368 HD22 LEU 43 HD22 LEU 43 8.985 8.333 11.263 369 HD23 LEU 43 HD23 LEU 43 8.213 7.228 10.124 370 H LEU 44 H LEU 44 4.612 7.629 8.432 371 HA LEU 44 HA LEU 44 3.459 7.029 5.921 372 HB2 LEU 44 HB2 LEU 44 2.406 6.533 8.099 373 HB3 LEU 44 HB3 LEU 44 2.160 8.250 8.361 374 HG LEU 44 HG LEU 44 0.725 8.252 6.281 375 HD11 LEU 44 HD11 LEU 44 0.925 5.267 6.643 376 HD12 LEU 44 HD12 LEU 44 1.581 6.195 5.295 377 HD13 LEU 44 HD13 LEU 44 -0.164 6.109 5.539 378 HD21 LEU 44 HD21 LEU 44 -0.248 8.289 8.505 379 HD22 LEU 44 HD22 LEU 44 -0.138 6.531 8.601 380 HD23 LEU 44 HD23 LEU 44 -1.214 7.285 7.425 381 H LYS 45 H LYS 45 4.214 10.032 7.529 382 HA LYS 45 HA LYS 45 2.724 11.649 5.651 383 HB2 LYS 45 HB2 LYS 45 3.694 13.563 6.875 384 HB3 LYS 45 HB3 LYS 45 2.898 12.420 7.948 385 HG2 LYS 45 HG2 LYS 45 4.987 11.542 8.687 386 HG3 LYS 45 HG3 LYS 45 5.866 12.458 7.461 387 HD2 LYS 45 HD2 LYS 45 4.216 13.751 9.624 388 HD3 LYS 45 HD3 LYS 45 5.937 13.405 9.801 389 HE2 LYS 45 HE2 LYS 45 4.833 15.020 7.518 390 HE3 LYS 45 HE3 LYS 45 5.309 15.748 9.052 391 HZ1 LYS 45 HZ1 LYS 45 7.112 14.138 7.318 392 HZ2 LYS 45 HZ2 LYS 45 7.541 14.973 8.731 393 HZ3 LYS 45 HZ3 LYS 45 7.061 15.831 7.350 394 H ASP 46 H ASP 46 5.602 10.027 5.446 395 HA ASP 46 HA ASP 46 6.931 12.171 3.942 396 HB2 ASP 46 HB2 ASP 46 8.094 10.851 5.854 397 HB3 ASP 46 HB3 ASP 46 8.232 9.559 4.666 398 H ILE 47 H ILE 47 4.761 9.975 3.279 399 HA ILE 47 HA ILE 47 5.993 8.933 0.844 400 HB ILE 47 HB ILE 47 3.144 8.503 1.758 401 HG12 ILE 47 HG12 ILE 47 4.696 7.688 3.488 402 HG13 ILE 47 HG13 ILE 47 3.880 6.355 2.679 403 HG21 ILE 47 HG21 ILE 47 3.274 6.541 0.277 404 HG22 ILE 47 HG22 ILE 47 4.909 7.014 -0.184 405 HG23 ILE 47 HG23 ILE 47 3.545 8.053 -0.592 406 HD11 ILE 47 HD11 ILE 47 5.864 5.932 1.349 407 HD12 ILE 47 HD12 ILE 47 6.232 5.879 3.073 408 HD13 ILE 47 HD13 ILE 47 6.682 7.292 2.118 409 H LYS 48 H LYS 48 6.206 10.659 -0.493 410 HA LYS 48 HA LYS 48 4.082 12.564 -0.847 411 HB2 LYS 48 HB2 LYS 48 6.738 12.188 -2.229 412 HB3 LYS 48 HB3 LYS 48 5.589 13.429 -2.701 413 HG2 LYS 48 HG2 LYS 48 7.219 14.436 -1.292 414 HG3 LYS 48 HG3 LYS 48 5.714 14.335 -0.380 415 HD2 LYS 48 HD2 LYS 48 6.541 12.350 0.779 416 HD3 LYS 48 HD3 LYS 48 8.037 12.419 -0.154 417 HE2 LYS 48 HE2 LYS 48 7.053 14.543 1.753 418 HE3 LYS 48 HE3 LYS 48 8.313 13.356 2.097 419 HZ1 LYS 48 HZ1 LYS 48 9.347 15.389 1.459 420 HZ2 LYS 48 HZ2 LYS 48 8.401 15.515 0.061 421 HZ3 LYS 48 HZ3 LYS 48 9.563 14.285 0.190 422 H ARG 49 H ARG 49 2.905 12.915 -2.756 423 HA ARG 49 HA ARG 49 1.929 10.584 -3.989 424 HB2 ARG 49 HB2 ARG 49 0.815 12.265 -5.569 425 HB3 ARG 49 HB3 ARG 49 0.421 12.377 -3.860 426 HG2 ARG 49 HG2 ARG 49 2.207 14.170 -3.712 427 HG3 ARG 49 HG3 ARG 49 2.214 14.165 -5.476 428 HD2 ARG 49 HD2 ARG 49 0.763 15.918 -4.528 429 HD3 ARG 49 HD3 ARG 49 -0.124 14.766 -5.525 430 HE ARG 49 HE ARG 49 -0.416 13.749 -3.045 431 HH11 ARG 49 HH11 ARG 49 -0.887 16.992 -4.288 432 HH12 ARG 49 HH12 ARG 49 -2.207 17.342 -3.207 433 HH21 ARG 49 HH21 ARG 49 -2.147 14.204 -1.642 434 HH22 ARG 49 HH22 ARG 49 -2.938 15.753 -1.729 435 H THR 50 H THR 50 4.364 12.911 -4.948 436 HA THR 50 HA THR 50 4.722 11.990 -7.603 437 HB THR 50 HB THR 50 7.049 13.072 -7.250 438 HG1 THR 50 HG1 THR 50 6.819 14.602 -5.358 439 HG21 THR 50 HG21 THR 50 4.551 14.724 -6.850 440 HG22 THR 50 HG22 THR 50 5.169 14.166 -8.403 441 HG23 THR 50 HG23 THR 50 6.100 15.316 -7.445 442 H GLU 51 H GLU 51 6.320 11.257 -4.534 443 HA GLU 51 HA GLU 51 8.215 9.418 -5.512 444 HB2 GLU 51 HB2 GLU 51 8.204 10.522 -3.241 445 HB3 GLU 51 HB3 GLU 51 6.930 9.404 -2.777 446 HG2 GLU 51 HG2 GLU 51 9.039 8.607 -1.960 447 HG3 GLU 51 HG3 GLU 51 8.449 7.524 -3.221 448 H TYR 52 H TYR 52 4.904 9.095 -4.428 449 HA TYR 52 HA TYR 52 4.747 6.302 -4.320 450 HB2 TYR 52 HB2 TYR 52 3.064 7.802 -3.346 451 HB3 TYR 52 HB3 TYR 52 2.569 8.297 -4.961 452 HD1 TYR 52 HD2 TYR 52 3.063 5.127 -3.043 453 HD2 TYR 52 HD1 TYR 52 0.672 7.305 -5.805 454 HE1 TYR 52 HE2 TYR 52 1.467 3.262 -3.121 455 HE2 TYR 52 HE1 TYR 52 -0.934 5.447 -5.888 456 HH TYR 52 HH TYR 52 -0.896 2.889 -3.663 457 H GLN 53 H GLN 53 4.300 8.552 -7.021 458 HA GLN 53 HA GLN 53 3.280 6.726 -8.882 459 HB2 GLN 53 HB2 GLN 53 3.373 9.162 -9.273 460 HB3 GLN 53 HB3 GLN 53 5.121 9.057 -9.443 461 HG2 GLN 53 HG2 GLN 53 4.207 9.141 -11.633 462 HG3 GLN 53 HG3 GLN 53 4.757 7.493 -11.362 463 HE21 GLN 53 HE21 GLN 53 3.227 5.838 -11.134 464 HE22 GLN 53 HE22 GLN 53 1.577 6.042 -11.612 465 H LYS 54 H LYS 54 6.608 7.375 -7.896 466 HA LYS 54 HA LYS 54 7.842 5.782 -9.906 467 HB2 LYS 54 HB2 LYS 54 8.768 6.809 -7.231 468 HB3 LYS 54 HB3 LYS 54 9.761 5.703 -8.163 469 HG2 LYS 54 HG2 LYS 54 10.510 7.923 -8.585 470 HG3 LYS 54 HG3 LYS 54 9.712 7.331 -10.041 471 HD2 LYS 54 HD2 LYS 54 7.715 8.581 -9.493 472 HD3 LYS 54 HD3 LYS 54 8.426 9.102 -7.965 473 HE2 LYS 54 HE2 LYS 54 8.592 10.888 -9.568 474 HE3 LYS 54 HE3 LYS 54 10.204 10.256 -9.237 475 HZ1 LYS 54 HZ1 LYS 54 8.532 9.657 -11.622 476 HZ2 LYS 54 HZ2 LYS 54 10.038 8.947 -11.298 477 HZ3 LYS 54 HZ3 LYS 54 9.931 10.614 -11.581 478 H PHE 55 H PHE 55 6.619 5.125 -6.676 479 HA PHE 55 HA PHE 55 7.577 2.497 -6.409 480 HB2 PHE 55 HB2 PHE 55 6.688 3.656 -4.487 481 HB3 PHE 55 HB3 PHE 55 5.118 3.833 -5.261 482 HD1 PHE 55 HD2 PHE 55 7.508 1.169 -4.221 483 HD2 PHE 55 HD1 PHE 55 3.455 2.359 -4.714 484 HE1 PHE 55 HE2 PHE 55 6.766 -0.947 -3.205 485 HE2 PHE 55 HE1 PHE 55 2.703 0.247 -3.704 486 HZ PHE 55 HZ PHE 55 4.362 -1.408 -2.943 487 H LEU 56 H LEU 56 4.457 3.723 -7.595 488 HA LEU 56 HA LEU 56 3.386 1.253 -8.399 489 HB2 LEU 56 HB2 LEU 56 2.940 4.010 -9.546 490 HB3 LEU 56 HB3 LEU 56 1.963 2.607 -9.926 491 HG LEU 56 HG LEU 56 2.199 3.927 -7.221 492 HD11 LEU 56 HD11 LEU 56 -0.150 4.512 -7.601 493 HD12 LEU 56 HD12 LEU 56 -0.063 3.800 -9.213 494 HD13 LEU 56 HD13 LEU 56 0.903 5.223 -8.824 495 HD21 LEU 56 HD21 LEU 56 1.910 1.518 -6.999 496 HD22 LEU 56 HD22 LEU 56 0.544 1.566 -8.115 497 HD23 LEU 56 HD23 LEU 56 0.431 2.367 -6.547 498 H ASN 57 H ASN 57 5.463 3.563 -10.008 499 HA ASN 57 HA ASN 57 5.338 2.616 -12.620 500 HB2 ASN 57 HB2 ASN 57 6.457 4.734 -11.638 501 HB3 ASN 57 HB3 ASN 57 7.868 3.703 -11.420 502 HD21 ASN 57 HD21 ASN 57 5.844 5.348 -13.669 503 HD22 ASN 57 HD22 ASN 57 6.834 5.106 -15.061 504 H GLU 58 H GLU 58 7.839 1.891 -10.169 505 HA GLU 58 HA GLU 58 9.193 -0.039 -11.711 506 HB2 GLU 58 HB2 GLU 58 10.150 1.100 -9.722 507 HB3 GLU 58 HB3 GLU 58 9.061 0.176 -8.697 508 HG2 GLU 58 HG2 GLU 58 10.116 -1.903 -9.514 509 HG3 GLU 58 HG3 GLU 58 11.259 -0.926 -10.432 510 H TYR 59 H TYR 59 6.578 -0.280 -9.382 511 HA TYR 59 HA TYR 59 6.474 -3.080 -9.165 512 HB2 TYR 59 HB2 TYR 59 5.355 -1.475 -7.629 513 HB3 TYR 59 HB3 TYR 59 4.204 -1.094 -8.905 514 HD1 TYR 59 HD1 TYR 59 2.543 -2.783 -9.615 515 HD2 TYR 59 HD2 TYR 59 5.168 -3.473 -6.336 516 HE1 TYR 59 HE1 TYR 59 1.108 -4.627 -8.856 517 HE2 TYR 59 HE2 TYR 59 3.738 -5.323 -5.576 518 HH TYR 59 HH TYR 59 1.282 -5.969 -5.827 519 H GLY 60 H GLY 60 4.740 -0.816 -11.283 520 HA2 GLY 60 HA2 GLY 60 3.145 -2.779 -12.560 521 HA3 GLY 60 HA3 GLY 60 3.449 -1.154 -13.146 522 H LEU 61 H LEU 61 6.353 -1.527 -13.255 523 HA LEU 61 HA LEU 61 6.518 -2.598 -15.883 524 HB2 LEU 61 HB2 LEU 61 8.722 -1.885 -13.947 525 HB3 LEU 61 HB3 LEU 61 8.953 -2.241 -15.647 526 HG LEU 61 HG LEU 61 7.455 0.116 -14.502 527 HD11 LEU 61 HD11 LEU 61 9.257 1.426 -15.493 528 HD12 LEU 61 HD12 LEU 61 10.049 -0.055 -16.030 529 HD13 LEU 61 HD13 LEU 61 9.885 0.281 -14.307 530 HD21 LEU 61 HD21 LEU 61 6.398 -0.644 -16.553 531 HD22 LEU 61 HD22 LEU 61 7.961 -0.660 -17.370 532 HD23 LEU 61 HD23 LEU 61 7.266 0.867 -16.828 533 H THR 62 H THR 62 6.540 -4.097 -12.862 534 HA THR 62 HA THR 62 7.905 -6.464 -13.967 535 HB THR 62 HB THR 62 8.290 -7.022 -11.475 536 HG1 THR 62 HG1 THR 62 8.061 -4.188 -11.228 537 HG21 THR 62 HG21 THR 62 10.093 -6.422 -13.023 538 HG22 THR 62 HG22 THR 62 10.371 -5.736 -11.421 539 HG23 THR 62 HG23 THR 62 9.777 -4.711 -12.728 540 H HIS 63 H HIS 63 4.946 -5.371 -13.485 541 HA HIS 63 HA HIS 63 3.876 -7.988 -12.791 542 HB2 HIS 63 HB2 HIS 63 3.246 -5.439 -11.295 543 HB3 HIS 63 HB3 HIS 63 2.175 -6.836 -11.272 544 HD1 HIS 63 HD1 HIS 63 5.525 -5.661 -10.046 545 HD2 HIS 63 HD2 HIS 63 3.015 -8.955 -9.673 546 HE1 HIS 63 HE1 HIS 63 6.464 -7.020 -8.146 547 HE2 HIS 63 HE2 HIS 63 4.834 -8.919 -7.831 548 H SER 64 H SER 64 1.197 -7.310 -12.688 549 HA SER 64 HA SER 64 0.755 -6.254 -15.398 550 HB2 SER 64 HB2 SER 64 0.112 -8.644 -14.965 551 HB3 SER 64 HB3 SER 64 -1.066 -8.065 -13.790 552 HG SER 64 HG SER 64 -1.229 -8.163 -16.497 553 H TYR 65 H TYR 65 -1.756 -5.523 -15.487 554 HA TYR 65 HA TYR 65 -1.799 -3.085 -14.054 555 HB2 TYR 65 HB2 TYR 65 -2.860 -3.240 -16.234 556 HB3 TYR 65 HB3 TYR 65 -3.994 -4.446 -15.631 557 HD1 TYR 65 HD2 TYR 65 -2.994 -0.893 -15.367 558 HD2 TYR 65 HD1 TYR 65 -5.976 -3.803 -14.478 559 HE1 TYR 65 HE2 TYR 65 -4.535 0.902 -14.688 560 HE2 TYR 65 HE1 TYR 65 -7.525 -2.013 -13.787 561 HH TYR 65 HH TYR 65 -7.031 1.225 -14.503 562 H GLU 66 H GLU 66 -3.494 -6.151 -13.597 563 HA GLU 66 HA GLU 66 -5.310 -5.228 -11.663 564 HB2 GLU 66 HB2 GLU 66 -4.243 -7.953 -12.331 565 HB3 GLU 66 HB3 GLU 66 -5.363 -7.712 -10.993 566 HG2 GLU 66 HG2 GLU 66 -5.966 -6.651 -13.708 567 HG3 GLU 66 HG3 GLU 66 -6.324 -8.327 -13.295 568 H THR 67 H THR 67 -2.092 -6.640 -11.319 569 HA THR 67 HA THR 67 -2.021 -6.731 -8.529 570 HB THR 67 HB THR 67 0.577 -6.184 -9.202 571 HG1 THR 67 HG1 THR 67 0.011 -5.943 -11.423 572 HG21 THR 67 HG21 THR 67 -0.197 -8.165 -8.002 573 HG22 THR 67 HG22 THR 67 0.886 -8.614 -9.321 574 HG23 THR 67 HG23 THR 67 -0.857 -8.825 -9.498 575 H ILE 68 H ILE 68 -1.051 -4.124 -10.771 576 HA ILE 68 HA ILE 68 -0.229 -2.412 -8.628 577 HB ILE 68 HB ILE 68 0.797 -2.247 -10.855 578 HG12 ILE 68 HG12 ILE 68 -0.635 0.284 -10.035 579 HG13 ILE 68 HG13 ILE 68 0.848 -0.325 -9.308 580 HG21 ILE 68 HG21 ILE 68 -0.379 -1.150 -12.696 581 HG22 ILE 68 HG22 ILE 68 -1.858 -1.139 -11.738 582 HG23 ILE 68 HG23 ILE 68 -1.148 -2.672 -12.242 583 HD11 ILE 68 HD11 ILE 68 2.004 -0.061 -11.435 584 HD12 ILE 68 HD12 ILE 68 1.304 1.463 -10.885 585 HD13 ILE 68 HD13 ILE 68 0.519 0.544 -12.171 586 H ARG 69 H ARG 69 -3.178 -2.801 -10.510 587 HA ARG 69 HA ARG 69 -4.464 -0.422 -9.687 588 HB2 ARG 69 HB2 ARG 69 -5.108 -2.118 -11.558 589 HB3 ARG 69 HB3 ARG 69 -5.962 -2.963 -10.273 590 HG2 ARG 69 HG2 ARG 69 -6.674 -0.230 -10.114 591 HG3 ARG 69 HG3 ARG 69 -6.798 -0.719 -11.802 592 HD2 ARG 69 HD2 ARG 69 -8.127 -2.038 -9.440 593 HD3 ARG 69 HD3 ARG 69 -8.905 -1.055 -10.679 594 HE ARG 69 HE ARG 69 -7.623 -3.639 -11.311 595 HH11 ARG 69 HH11 ARG 69 -10.279 -1.379 -11.543 596 HH12 ARG 69 HH12 ARG 69 -11.267 -2.425 -12.516 597 HH21 ARG 69 HH21 ARG 69 -8.912 -5.047 -12.563 598 HH22 ARG 69 HH22 ARG 69 -10.488 -4.526 -13.099 599 H LYS 70 H LYS 70 -4.685 -3.764 -8.492 600 HA LYS 70 HA LYS 70 -6.297 -3.270 -6.257 601 HB2 LYS 70 HB2 LYS 70 -4.372 -5.378 -7.061 602 HB3 LYS 70 HB3 LYS 70 -4.749 -5.280 -5.349 603 HG2 LYS 70 HG2 LYS 70 -6.173 -6.896 -6.422 604 HG3 LYS 70 HG3 LYS 70 -7.130 -5.527 -5.866 605 HD2 LYS 70 HD2 LYS 70 -7.272 -4.657 -8.121 606 HD3 LYS 70 HD3 LYS 70 -6.173 -5.909 -8.704 607 HE2 LYS 70 HE2 LYS 70 -7.755 -7.625 -8.255 608 HE3 LYS 70 HE3 LYS 70 -8.807 -6.514 -7.380 609 HZ1 LYS 70 HZ1 LYS 70 -9.416 -5.444 -9.374 610 HZ2 LYS 70 HZ2 LYS 70 -9.505 -7.103 -9.702 611 HZ3 LYS 70 HZ3 LYS 70 -8.184 -6.197 -10.266 612 H LEU 71 H LEU 71 -2.777 -3.220 -6.605 613 HA LEU 71 HA LEU 71 -1.996 -2.721 -4.005 614 HB2 LEU 71 HB2 LEU 71 -0.401 -3.185 -5.739 615 HB3 LEU 71 HB3 LEU 71 -0.862 -1.744 -6.622 616 HG LEU 71 HG LEU 71 0.044 -0.383 -4.723 617 HD11 LEU 71 HD11 LEU 71 1.136 -3.044 -3.827 618 HD12 LEU 71 HD12 LEU 71 -0.063 -2.069 -2.976 619 HD13 LEU 71 HD13 LEU 71 1.585 -1.470 -3.172 620 HD21 LEU 71 HD21 LEU 71 1.305 -0.739 -6.770 621 HD22 LEU 71 HD22 LEU 71 1.961 -2.241 -6.118 622 HD23 LEU 71 HD23 LEU 71 2.376 -0.700 -5.371 623 H ASN 72 H ASN 72 -2.651 -0.306 -6.529 624 HA ASN 72 HA ASN 72 -2.351 2.008 -5.039 625 HB2 ASN 72 HB2 ASN 72 -2.613 1.978 -7.473 626 HB3 ASN 72 HB3 ASN 72 -4.284 1.455 -7.303 627 HD21 ASN 72 HD21 ASN 72 -5.124 3.194 -8.366 628 HD22 ASN 72 HD22 ASN 72 -5.122 4.791 -7.715 629 H SER 73 H SER 73 -5.193 -0.053 -5.415 630 HA SER 73 HA SER 73 -7.050 1.586 -4.106 631 HB2 SER 73 HB2 SER 73 -7.632 -0.369 -5.525 632 HB3 SER 73 HB3 SER 73 -7.035 -1.438 -4.257 633 HG SER 73 HG SER 73 -9.049 0.493 -3.780 634 H TYR 74 H TYR 74 -4.984 -1.033 -2.850 635 HA TYR 74 HA TYR 74 -6.001 -0.995 -0.215 636 HB2 TYR 74 HB2 TYR 74 -3.194 -1.759 -1.045 637 HB3 TYR 74 HB3 TYR 74 -4.033 -2.257 0.418 638 HD1 TYR 74 HD1 TYR 74 -6.671 -3.048 -0.653 639 HD2 TYR 74 HD2 TYR 74 -2.760 -3.717 -2.183 640 HE1 TYR 74 HE1 TYR 74 -7.476 -5.059 -1.816 641 HE2 TYR 74 HE2 TYR 74 -3.551 -5.725 -3.350 642 HH TYR 74 HH TYR 74 -5.326 -7.308 -3.307 643 H ILE 75 H ILE 75 -3.202 0.594 -1.680 644 HA ILE 75 HA ILE 75 -2.277 1.782 0.715 645 HB ILE 75 HB ILE 75 -1.744 2.507 -2.166 646 HG12 ILE 75 HG12 ILE 75 -0.142 0.934 -0.137 647 HG13 ILE 75 HG13 ILE 75 -1.023 0.252 -1.499 648 HG21 ILE 75 HG21 ILE 75 0.189 3.761 -1.339 649 HG22 ILE 75 HG22 ILE 75 -0.312 3.441 0.321 650 HG23 ILE 75 HG23 ILE 75 -1.324 4.433 -0.728 651 HD11 ILE 75 HD11 ILE 75 1.341 2.102 -1.660 652 HD12 ILE 75 HD12 ILE 75 0.458 1.443 -3.035 653 HD13 ILE 75 HD13 ILE 75 1.348 0.365 -1.961 654 H ARG 76 H ARG 76 -4.356 2.971 -1.913 655 HA ARG 76 HA ARG 76 -4.611 5.607 -0.955 656 HB2 ARG 76 HB2 ARG 76 -5.354 4.802 -3.219 657 HB3 ARG 76 HB3 ARG 76 -6.735 4.043 -2.435 658 HG2 ARG 76 HG2 ARG 76 -7.466 6.233 -1.617 659 HG3 ARG 76 HG3 ARG 76 -6.097 6.987 -2.433 660 HD2 ARG 76 HD2 ARG 76 -7.987 7.275 -3.837 661 HD3 ARG 76 HD3 ARG 76 -6.978 6.033 -4.578 662 HE ARG 76 HE ARG 76 -8.555 4.379 -3.732 663 HH11 ARG 76 HH11 ARG 76 -9.583 7.726 -3.734 664 HH12 ARG 76 HH12 ARG 76 -11.278 7.333 -3.738 665 HH21 ARG 76 HH21 ARG 76 -10.779 3.862 -3.747 666 HH22 ARG 76 HH22 ARG 76 -11.956 5.143 -3.773 667 H ASN 77 H ASN 77 -6.488 2.674 -0.329 668 HA ASN 77 HA ASN 77 -8.479 3.839 1.271 669 HB2 ASN 77 HB2 ASN 77 -8.494 1.514 0.269 670 HB3 ASN 77 HB3 ASN 77 -7.401 1.028 1.555 671 HD21 ASN 77 HD21 ASN 77 -9.960 3.347 2.034 672 HD22 ASN 77 HD22 ASN 77 -10.951 2.342 3.028 673 H ALA 78 H ALA 78 -5.288 2.555 2.065 674 HA ALA 78 HA ALA 78 -5.512 2.703 4.872 675 HB1 ALA 78 HB1 ALA 78 -3.768 1.408 3.782 676 HB2 ALA 78 HB2 ALA 78 -3.058 2.598 4.875 677 HB3 ALA 78 HB3 ALA 78 -3.053 2.883 3.135 678 H PHE 79 H PHE 79 -4.102 4.978 2.524 679 HA PHE 79 HA PHE 79 -3.473 6.976 4.427 680 HB2 PHE 79 HB2 PHE 79 -3.721 6.914 1.449 681 HB3 PHE 79 HB3 PHE 79 -3.596 8.467 2.264 682 HD1 PHE 79 HD2 PHE 79 -1.604 8.873 3.756 683 HD2 PHE 79 HD1 PHE 79 -1.823 5.634 1.010 684 HE1 PHE 79 HE2 PHE 79 0.845 8.666 3.815 685 HE2 PHE 79 HE1 PHE 79 0.625 5.419 1.063 686 HZ PHE 79 HZ PHE 79 1.964 6.938 2.466 687 H ASP 80 H ASP 80 -6.308 6.359 2.439 688 HA ASP 80 HA ASP 80 -7.652 8.790 2.869 689 HB2 ASP 80 HB2 ASP 80 -8.237 7.038 1.158 690 HB3 ASP 80 HB3 ASP 80 -8.922 6.075 2.461 691 H ASP 81 H ASP 81 -7.544 5.794 4.713 692 HA ASP 81 HA ASP 81 -9.516 6.526 6.628 693 HB2 ASP 81 HB2 ASP 81 -8.665 4.182 6.150 694 HB3 ASP 81 HB3 ASP 81 -7.220 4.607 7.064 695 H ALA 82 H ALA 82 -5.983 6.768 6.535 696 HA ALA 82 HA ALA 82 -5.591 7.890 9.081 697 HB1 ALA 82 HB1 ALA 82 -3.441 8.655 8.227 698 HB2 ALA 82 HB2 ALA 82 -3.971 8.344 6.573 699 HB3 ALA 82 HB3 ALA 82 -3.768 7.003 7.702 700 H ILE 83 H ILE 83 -6.306 9.365 5.952 701 HA ILE 83 HA ILE 83 -6.309 12.060 6.789 702 HB ILE 83 HB ILE 83 -7.736 10.620 4.558 703 HG12 ILE 83 HG12 ILE 83 -5.487 12.645 4.590 704 HG13 ILE 83 HG13 ILE 83 -5.314 10.911 4.338 705 HG21 ILE 83 HG21 ILE 83 -9.208 12.422 5.171 706 HG22 ILE 83 HG22 ILE 83 -8.381 12.838 3.665 707 HG23 ILE 83 HG23 ILE 83 -7.863 13.565 5.187 708 HD11 ILE 83 HD11 ILE 83 -6.578 11.073 2.271 709 HD12 ILE 83 HD12 ILE 83 -5.185 12.154 2.248 710 HD13 ILE 83 HD13 ILE 83 -6.801 12.802 2.530 711 H HIS 84 H HIS 84 -8.737 9.535 6.817 712 HA HIS 84 HA HIS 84 -10.978 11.125 7.373 713 HB2 HIS 84 HB2 HIS 84 -10.980 8.749 6.554 714 HB3 HIS 84 HB3 HIS 84 -10.578 8.245 8.192 715 HD1 HIS 84 HD1 HIS 84 -12.607 7.367 9.298 716 HD2 HIS 84 HD2 HIS 84 -13.435 10.616 6.831 717 HE1 HIS 84 HE1 HIS 84 -15.084 7.768 9.513 718 HE2 HIS 84 HE2 HIS 84 -15.592 9.585 7.842 719 H GLU 85 H GLU 85 -8.742 9.420 9.562 720 HA GLU 85 HA GLU 85 -10.154 10.346 11.893 721 HB2 GLU 85 HB2 GLU 85 -8.297 9.366 13.174 722 HB3 GLU 85 HB3 GLU 85 -8.969 8.234 12.012 723 HG2 GLU 85 HG2 GLU 85 -7.107 8.398 10.604 724 HG3 GLU 85 HG3 GLU 85 -6.532 9.864 11.400 725 H GLY 86 H GLY 86 -7.758 11.635 9.822 726 HA2 GLY 86 HA2 GLY 86 -7.197 13.932 9.837 727 HA3 GLY 86 HA3 GLY 86 -7.598 13.996 11.548 728 H TYR 87 H TYR 87 -5.730 11.309 10.735 729 HA TYR 87 HA TYR 87 -3.549 12.181 12.330 730 HB2 TYR 87 HB2 TYR 87 -4.197 9.832 12.209 731 HB3 TYR 87 HB3 TYR 87 -3.820 9.794 10.492 732 HD1 TYR 87 HD1 TYR 87 -1.893 11.212 13.361 733 HD2 TYR 87 HD2 TYR 87 -2.061 8.316 10.248 734 HE1 TYR 87 HE1 TYR 87 0.407 10.522 13.888 735 HE2 TYR 87 HE2 TYR 87 0.239 7.621 10.767 736 HH TYR 87 HH TYR 87 2.255 8.626 11.809 737 H VAL 88 H VAL 88 -3.993 11.749 8.838 738 HA VAL 88 HA VAL 88 -1.709 13.556 8.478 739 HB VAL 88 HB VAL 88 -1.151 11.180 7.852 740 HG11 VAL 88 HG11 VAL 88 -3.276 10.502 6.899 741 HG12 VAL 88 HG12 VAL 88 -1.966 10.298 5.736 742 HG13 VAL 88 HG13 VAL 88 -3.072 11.664 5.589 743 HG21 VAL 88 HG21 VAL 88 -0.034 11.781 5.755 744 HG22 VAL 88 HG22 VAL 88 0.141 13.021 6.995 745 HG23 VAL 88 HG23 VAL 88 -1.006 13.252 5.674 746 H ILE 89 H ILE 89 -2.056 15.246 7.142 747 HA ILE 89 HA ILE 89 -4.801 15.833 6.577 748 HB ILE 89 HB ILE 89 -3.393 17.594 7.429 749 HG12 ILE 89 HG12 ILE 89 -4.163 18.142 4.556 750 HG13 ILE 89 HG13 ILE 89 -5.236 18.251 5.946 751 HG21 ILE 89 HG21 ILE 89 -1.247 16.888 6.564 752 HG22 ILE 89 HG22 ILE 89 -1.562 18.561 6.105 753 HG23 ILE 89 HG23 ILE 89 -1.756 17.272 4.919 754 HD11 ILE 89 HD11 ILE 89 -4.507 20.447 5.249 755 HD12 ILE 89 HD12 ILE 89 -2.819 19.967 5.426 756 HD13 ILE 89 HD13 ILE 89 -3.862 20.067 6.846 757 H LYS 90 H LYS 90 -2.022 14.938 4.623 758 HA LYS 90 HA LYS 90 -3.765 14.839 2.279 759 HB2 LYS 90 HB2 LYS 90 -1.956 15.804 0.875 760 HB3 LYS 90 HB3 LYS 90 -2.599 16.944 2.048 761 HG2 LYS 90 HG2 LYS 90 -0.661 16.433 3.518 762 HG3 LYS 90 HG3 LYS 90 -0.000 15.436 2.220 763 HD2 LYS 90 HD2 LYS 90 0.089 17.371 0.751 764 HD3 LYS 90 HD3 LYS 90 -0.644 18.377 2.001 765 HE2 LYS 90 HE2 LYS 90 1.292 17.913 3.460 766 HE3 LYS 90 HE3 LYS 90 2.029 16.991 2.152 767 HZ1 LYS 90 HZ1 LYS 90 2.098 18.987 0.806 768 HZ2 LYS 90 HZ2 LYS 90 2.887 19.258 2.283 769 HZ3 LYS 90 HZ3 LYS 90 1.330 19.878 2.030 770 H ASN 91 H ASN 91 -2.992 13.414 0.604 771 HA ASN 91 HA ASN 91 -0.988 11.467 1.508 772 HB2 ASN 91 HB2 ASN 91 -2.438 9.606 1.142 773 HB3 ASN 91 HB3 ASN 91 -3.324 10.739 2.153 774 HD21 ASN 91 HD21 ASN 91 -4.195 8.593 0.294 775 HD22 ASN 91 HD22 ASN 91 -5.305 9.351 -0.789 776 HA PRO 92 HA PRO 92 -0.027 11.032 -2.905 777 HB2 PRO 92 HB2 PRO 92 -0.098 8.105 -2.606 778 HB3 PRO 92 HB3 PRO 92 1.250 9.150 -3.062 779 HG2 PRO 92 HG2 PRO 92 1.157 7.922 -0.680 780 HG3 PRO 92 HG3 PRO 92 1.859 9.539 -0.872 781 HD2 PRO 92 HD2 PRO 92 -0.828 8.750 0.182 782 HD3 PRO 92 HD3 PRO 92 0.295 9.993 0.775 783 H THR 93 H THR 93 -0.792 8.653 -4.382 784 HA THR 93 HA THR 93 -2.444 7.930 -5.755 785 HB THR 93 HB THR 93 -4.540 7.189 -4.709 786 HG1 THR 93 HG1 THR 93 -3.957 9.108 -2.905 787 HG21 THR 93 HG21 THR 93 -3.565 5.681 -3.032 788 HG22 THR 93 HG22 THR 93 -2.094 6.654 -3.025 789 HG23 THR 93 HG23 THR 93 -2.568 5.784 -4.484 790 H TYR 94 H TYR 94 -2.175 10.916 -5.242 791 HA TYR 94 HA TYR 94 -4.828 11.975 -5.488 792 HB2 TYR 94 HB2 TYR 94 -3.072 13.167 -4.250 793 HB3 TYR 94 HB3 TYR 94 -2.129 13.317 -5.726 794 HD1 TYR 94 HD1 TYR 94 -5.208 14.422 -4.013 795 HD2 TYR 94 HD2 TYR 94 -2.576 15.044 -7.295 796 HE1 TYR 94 HE1 TYR 94 -6.315 16.567 -4.484 797 HE2 TYR 94 HE2 TYR 94 -3.675 17.187 -7.783 798 HH TYR 94 HH TYR 94 -5.897 18.251 -7.371 799 H LYS 95 H LYS 95 -1.958 11.953 -7.590 800 HA LYS 95 HA LYS 95 -3.750 12.115 -9.910 801 HB2 LYS 95 HB2 LYS 95 -2.244 13.699 -10.991 802 HB3 LYS 95 HB3 LYS 95 -2.833 14.354 -9.471 803 HG2 LYS 95 HG2 LYS 95 -0.672 13.568 -8.433 804 HG3 LYS 95 HG3 LYS 95 -0.107 13.248 -10.073 805 HD2 LYS 95 HD2 LYS 95 -0.987 15.905 -8.949 806 HD3 LYS 95 HD3 LYS 95 0.656 15.427 -9.374 807 HE2 LYS 95 HE2 LYS 95 0.040 15.273 -11.712 808 HE3 LYS 95 HE3 LYS 95 -1.641 15.630 -11.318 809 HZ1 LYS 95 HZ1 LYS 95 0.676 17.461 -11.015 810 HZ2 LYS 95 HZ2 LYS 95 -0.888 17.797 -10.457 811 HZ3 LYS 95 HZ3 LYS 95 -0.605 17.607 -12.118 812 H ALA 96 H ALA 96 -2.120 10.025 -8.486 813 HA ALA 96 HA ALA 96 -0.007 9.326 -10.303 814 HB1 ALA 96 HB1 ALA 96 -1.241 7.718 -8.068 815 HB2 ALA 96 HB2 ALA 96 0.160 8.780 -7.920 816 HB3 ALA 96 HB3 ALA 96 0.252 7.333 -8.924 817 H GLU 97 H GLU 97 -0.055 7.854 -11.920 818 HA GLU 97 HA GLU 97 -2.700 6.755 -12.576 819 HB2 GLU 97 HB2 GLU 97 -1.687 6.587 -14.925 820 HB3 GLU 97 HB3 GLU 97 -2.107 8.184 -14.323 821 HG2 GLU 97 HG2 GLU 97 -0.064 8.791 -14.939 822 HG3 GLU 97 HG3 GLU 97 0.504 7.898 -13.528 823 H LEU 98 H LEU 98 -2.404 4.726 -14.108 824 HA LEU 98 HA LEU 98 -0.691 2.873 -12.587 825 HB2 LEU 98 HB2 LEU 98 -3.533 2.450 -13.519 826 HB3 LEU 98 HB3 LEU 98 -2.535 1.231 -12.751 827 HG LEU 98 HG LEU 98 -3.397 3.810 -11.440 828 HD11 LEU 98 HD11 LEU 98 -5.298 2.335 -11.867 829 HD12 LEU 98 HD12 LEU 98 -4.926 2.427 -10.145 830 HD13 LEU 98 HD13 LEU 98 -4.445 1.008 -11.075 831 HD21 LEU 98 HD21 LEU 98 -2.052 1.349 -10.337 832 HD22 LEU 98 HD22 LEU 98 -2.597 2.736 -9.394 833 HD23 LEU 98 HD23 LEU 98 -1.298 2.929 -10.571 834 H HIS 99 H HIS 99 -0.004 4.004 -15.155 835 HA HIS 99 HA HIS 99 -0.759 2.074 -17.154 836 HB2 HIS 99 HB2 HIS 99 0.194 3.457 -18.703 837 HB3 HIS 99 HB3 HIS 99 -0.021 4.627 -17.412 838 HD1 HIS 99 HD1 HIS 99 2.170 5.285 -16.061 839 HD2 HIS 99 HD2 HIS 99 2.779 3.019 -19.497 840 HE1 HIS 99 HE1 HIS 99 4.624 5.501 -16.597 841 HE2 HIS 99 HE2 HIS 99 4.904 4.320 -18.807 842 H ALA 100 H ALA 100 0.247 0.272 -17.716 843 HA ALA 100 HA ALA 100 2.798 -0.347 -16.381 844 HB1 ALA 100 HB1 ALA 100 0.643 -2.281 -17.234 845 HB2 ALA 100 HB2 ALA 100 0.890 -1.700 -15.588 846 HB3 ALA 100 HB3 ALA 100 2.131 -2.680 -16.374 847 H SER 101 H SER 101 4.478 -0.506 -17.728 848 HA SER 101 HA SER 101 4.076 -0.559 -20.578 849 HB2 SER 101 HB2 SER 101 6.653 -0.655 -18.990 850 HB3 SER 101 HB3 SER 101 6.507 -0.316 -20.715 851 HG SER 101 HG SER 101 5.160 1.510 -20.069 852 H VAL 102 H VAL 102 2.977 -2.796 -19.686 853 HA VAL 102 HA VAL 102 4.720 -4.881 -20.802 854 HB VAL 102 HB VAL 102 2.859 -5.376 -18.460 855 HG11 VAL 102 HG11 VAL 102 4.068 -7.506 -18.274 856 HG12 VAL 102 HG12 VAL 102 5.006 -7.087 -19.708 857 HG13 VAL 102 HG13 VAL 102 3.264 -7.331 -19.833 858 HG21 VAL 102 HG21 VAL 102 4.878 -5.589 -17.058 859 HG22 VAL 102 HG22 VAL 102 4.634 -3.949 -17.660 860 HG23 VAL 102 HG23 VAL 102 5.850 -4.989 -18.403 861 H LEU 103 H LEU 103 2.155 -3.057 -21.293 862 HA LEU 103 HA LEU 103 0.413 -5.219 -22.294 863 HB2 LEU 103 HB2 LEU 103 -0.469 -2.712 -20.858 864 HB3 LEU 103 HB3 LEU 103 -1.543 -3.887 -21.590 865 HG LEU 103 HG LEU 103 0.322 -4.468 -19.284 866 HD11 LEU 103 HD11 LEU 103 -1.442 -2.927 -18.623 867 HD12 LEU 103 HD12 LEU 103 -1.705 -4.523 -17.920 868 HD13 LEU 103 HD13 LEU 103 -2.656 -4.004 -19.312 869 HD21 LEU 103 HD21 LEU 103 -1.876 -6.113 -20.532 870 HD22 LEU 103 HD22 LEU 103 -0.963 -6.542 -19.087 871 HD23 LEU 103 HD23 LEU 103 -0.146 -6.433 -20.646 872 H GLU 104 H GLU 104 2.377 -3.234 -23.496 873 HA GLU 104 HA GLU 104 1.070 -1.188 -24.856 874 HB2 GLU 104 HB2 GLU 104 3.613 -2.681 -25.367 875 HB3 GLU 104 HB3 GLU 104 3.047 -1.480 -26.520 876 HG2 GLU 104 HG2 GLU 104 4.706 -0.666 -24.830 877 HG3 GLU 104 HG3 GLU 104 3.208 0.260 -24.928 878 H HIS 105 H HIS 105 1.132 -4.577 -25.586 879 HA HIS 105 HA HIS 105 -0.096 -5.805 -27.076 880 HB2 HIS 105 HB2 HIS 105 -1.752 -3.853 -26.345 881 HB3 HIS 105 HB3 HIS 105 -1.550 -3.365 -28.022 882 HD1 HIS 105 HD1 HIS 105 -3.580 -5.413 -25.914 883 HD2 HIS 105 HD2 HIS 105 -2.278 -5.621 -29.859 884 HE1 HIS 105 HE1 HIS 105 -5.143 -7.020 -27.061 885 HE2 HIS 105 HE2 HIS 105 -4.472 -6.949 -29.490 886 H HIS 106 H HIS 106 2.389 -4.935 -27.929 887 HA HIS 106 HA HIS 106 1.998 -3.739 -30.582 888 HB2 HIS 106 HB2 HIS 106 3.611 -2.787 -28.813 889 HB3 HIS 106 HB3 HIS 106 4.648 -4.152 -29.209 890 HD1 HIS 106 HD1 HIS 106 6.436 -3.440 -30.761 891 HD2 HIS 106 HD2 HIS 106 2.859 -1.454 -31.514 892 HE1 HIS 106 HE1 HIS 106 6.904 -1.900 -32.701 893 HE2 HIS 106 HE2 HIS 106 4.696 -0.779 -33.199 894 H HIS 107 H HIS 107 1.480 -6.577 -29.957 895 HA HIS 107 HA HIS 107 1.617 -8.552 -31.062 896 HB2 HIS 107 HB2 HIS 107 3.305 -6.970 -33.005 897 HB3 HIS 107 HB3 HIS 107 2.811 -8.637 -33.265 898 HD1 HIS 107 HD1 HIS 107 0.332 -9.065 -33.863 899 HD2 HIS 107 HD2 HIS 107 1.321 -5.051 -33.386 900 HE1 HIS 107 HE1 HIS 107 -1.594 -7.769 -34.834 901 HE2 HIS 107 HE2 HIS 107 -1.047 -5.349 -34.388 902 H HIS 108 H HIS 108 4.052 -7.285 -29.380 903 HA HIS 108 HA HIS 108 6.186 -9.055 -30.139 904 HB2 HIS 108 HB2 HIS 108 6.630 -6.828 -29.133 905 HB3 HIS 108 HB3 HIS 108 5.891 -7.379 -27.633 906 HD1 HIS 108 HD1 HIS 108 7.190 -9.364 -26.372 907 HD2 HIS 108 HD2 HIS 108 9.291 -7.445 -29.408 908 HE1 HIS 108 HE1 HIS 108 9.599 -9.982 -26.021 909 HE2 HIS 108 HE2 HIS 108 10.867 -8.609 -27.713 910 H HIS 109 H HIS 109 3.527 -9.105 -27.927 911 HA HIS 109 HA HIS 109 2.729 -10.626 -26.441 912 HB2 HIS 109 HB2 HIS 109 4.778 -12.386 -27.778 913 HB3 HIS 109 HB3 HIS 109 3.828 -12.948 -26.409 914 HD1 HIS 109 HD1 HIS 109 1.559 -13.841 -26.895 915 HD2 HIS 109 HD2 HIS 109 3.162 -11.752 -30.118 916 HE1 HIS 109 HE1 HIS 109 -0.024 -14.231 -28.813 917 HE2 HIS 109 HE2 HIS 109 1.093 -13.158 -30.802 918 H HIS 110 H HIS 110 3.258 -11.641 -24.372 919 HA HIS 110 HA HIS 110 5.916 -11.352 -23.319 920 HB2 HIS 110 HB2 HIS 110 4.776 -9.010 -23.276 921 HB3 HIS 110 HB3 HIS 110 3.811 -9.679 -21.965 922 HD1 HIS 110 HD1 HIS 110 5.196 -10.464 -19.800 923 HD2 HIS 110 HD2 HIS 110 7.260 -8.149 -22.572 924 HE1 HIS 110 HE1 HIS 110 7.240 -9.625 -18.600 925 HE2 HIS 110 HE2 HIS 110 8.566 -8.378 -20.350 Start of MODEL 15 1 H1 MET 1 H1 MET 1 5.439 10.027 15.253 2 H2 MET 1 H2 MET 1 3.821 9.796 14.798 3 H3 MET 1 H3 MET 1 4.564 11.299 14.549 4 HA MET 1 HA MET 1 4.370 10.045 12.493 5 HB2 MET 1 HB2 MET 1 7.186 10.389 13.535 6 HB3 MET 1 HB3 MET 1 6.785 10.115 11.848 7 HG2 MET 1 HG2 MET 1 5.798 12.458 13.449 8 HG3 MET 1 HG3 MET 1 7.257 12.483 12.463 9 HE1 MET 1 HE1 MET 1 3.398 12.794 12.548 10 HE2 MET 1 HE2 MET 1 3.514 11.129 11.979 11 HE3 MET 1 HE3 MET 1 2.909 12.388 10.903 12 H ILE 2 H ILE 2 3.929 8.057 11.863 13 HA ILE 2 HA ILE 2 5.552 5.845 12.948 14 HB ILE 2 HB ILE 2 3.094 5.753 13.441 15 HG12 ILE 2 HG12 ILE 2 4.114 3.548 11.629 16 HG13 ILE 2 HG13 ILE 2 4.470 3.701 13.347 17 HG21 ILE 2 HG21 ILE 2 2.285 6.789 11.391 18 HG22 ILE 2 HG22 ILE 2 1.543 5.208 11.633 19 HG23 ILE 2 HG23 ILE 2 2.842 5.402 10.455 20 HD11 ILE 2 HD11 ILE 2 2.113 3.389 13.872 21 HD12 ILE 2 HD12 ILE 2 2.745 2.036 12.932 22 HD13 ILE 2 HD13 ILE 2 1.741 3.260 12.152 23 H THR 3 H THR 3 6.173 4.167 11.465 24 HA THR 3 HA THR 3 6.870 5.103 8.860 25 HB THR 3 HB THR 3 7.579 2.650 8.553 26 HG1 THR 3 HG1 THR 3 7.196 1.303 10.145 27 HG21 THR 3 HG21 THR 3 8.763 4.273 10.809 28 HG22 THR 3 HG22 THR 3 9.155 4.434 9.097 29 HG23 THR 3 HG23 THR 3 9.569 2.952 9.961 30 H PHE 4 H PHE 4 5.839 4.837 6.979 31 HA PHE 4 HA PHE 4 3.097 4.292 6.979 32 HB2 PHE 4 HB2 PHE 4 4.007 5.751 5.310 33 HB3 PHE 4 HB3 PHE 4 5.068 4.487 4.700 34 HD1 PHE 4 HD2 PHE 4 1.416 4.878 5.373 35 HD2 PHE 4 HD1 PHE 4 4.459 3.614 2.677 36 HE1 PHE 4 HE2 PHE 4 -0.308 4.199 3.755 37 HE2 PHE 4 HE1 PHE 4 2.741 2.931 1.055 38 HZ PHE 4 HZ PHE 4 0.353 3.221 1.591 39 H ALA 5 H ALA 5 5.821 2.283 5.957 40 HA ALA 5 HA ALA 5 4.403 0.201 4.782 41 HB1 ALA 5 HB1 ALA 5 6.992 0.018 6.318 42 HB2 ALA 5 HB2 ALA 5 6.835 0.466 4.620 43 HB3 ALA 5 HB3 ALA 5 6.387 -1.156 5.149 44 H ASP 6 H ASP 6 5.481 0.553 8.144 45 HA ASP 6 HA ASP 6 4.407 -1.925 9.002 46 HB2 ASP 6 HB2 ASP 6 5.235 0.517 10.581 47 HB3 ASP 6 HB3 ASP 6 4.805 -1.034 11.297 48 H TYR 7 H TYR 7 3.193 1.391 9.023 49 HA TYR 7 HA TYR 7 0.825 0.911 10.448 50 HB2 TYR 7 HB2 TYR 7 1.434 3.185 10.040 51 HB3 TYR 7 HB3 TYR 7 1.464 2.933 8.296 52 HD1 TYR 7 HD1 TYR 7 -0.859 2.864 11.218 53 HD2 TYR 7 HD2 TYR 7 -0.426 3.437 7.024 54 HE1 TYR 7 HE1 TYR 7 -3.217 3.556 11.075 55 HE2 TYR 7 HE2 TYR 7 -2.780 4.129 6.868 56 HH TYR 7 HH TYR 7 -4.841 3.938 8.050 57 H PHE 8 H PHE 8 1.569 0.652 7.005 58 HA PHE 8 HA PHE 8 -0.978 0.113 6.037 59 HB2 PHE 8 HB2 PHE 8 0.957 0.559 4.595 60 HB3 PHE 8 HB3 PHE 8 1.669 -0.981 5.060 61 HD1 PHE 8 HD2 PHE 8 -1.199 0.558 3.302 62 HD2 PHE 8 HD1 PHE 8 1.101 -2.964 3.944 63 HE1 PHE 8 HE2 PHE 8 -2.366 -0.542 1.437 64 HE2 PHE 8 HE1 PHE 8 -0.060 -4.070 2.080 65 HZ PHE 8 HZ PHE 8 -1.799 -2.860 0.825 66 H TYR 9 H TYR 9 1.444 -2.100 7.372 67 HA TYR 9 HA TYR 9 -0.054 -4.448 6.844 68 HB2 TYR 9 HB2 TYR 9 2.391 -4.465 7.246 69 HB3 TYR 9 HB3 TYR 9 2.096 -4.055 8.934 70 HD1 TYR 9 HD1 TYR 9 1.242 -6.621 6.372 71 HD2 TYR 9 HD2 TYR 9 1.828 -5.764 10.495 72 HE1 TYR 9 HE1 TYR 9 0.990 -9.011 6.895 73 HE2 TYR 9 HE2 TYR 9 1.574 -8.149 11.035 74 HH TYR 9 HH TYR 9 1.483 -10.596 8.576 75 H GLN 10 H GLN 10 0.301 -2.454 9.792 76 HA GLN 10 HA GLN 10 -1.359 -4.148 11.363 77 HB2 GLN 10 HB2 GLN 10 -1.264 -2.498 13.057 78 HB3 GLN 10 HB3 GLN 10 0.293 -2.427 12.245 79 HG2 GLN 10 HG2 GLN 10 -0.537 -0.501 10.937 80 HG3 GLN 10 HG3 GLN 10 -2.015 -0.536 11.889 81 HE21 GLN 10 HE21 GLN 10 -1.666 1.525 12.692 82 HE22 GLN 10 HE22 GLN 10 -0.451 1.875 13.873 83 H TRP 11 H TRP 11 -1.967 -1.386 9.291 84 HA TRP 11 HA TRP 11 -4.626 -0.871 9.957 85 HB2 TRP 11 HB2 TRP 11 -3.465 0.651 8.522 86 HB3 TRP 11 HB3 TRP 11 -3.128 -0.613 7.346 87 HD1 TRP 11 HD1 TRP 11 -6.117 1.435 8.698 88 HE1 TRP 11 HE1 TRP 11 -7.895 1.560 6.840 89 HE3 TRP 11 HE3 TRP 11 -3.901 -1.623 5.252 90 HZ2 TRP 11 HZ2 TRP 11 -8.293 0.506 4.252 91 HZ3 TRP 11 HZ3 TRP 11 -5.046 -2.012 3.111 92 HH2 TRP 11 HH2 TRP 11 -7.197 -0.969 2.623 93 H TYR 12 H TYR 12 -3.254 -3.137 7.602 94 HA TYR 12 HA TYR 12 -5.752 -4.213 6.791 95 HB2 TYR 12 HB2 TYR 12 -3.932 -4.489 5.299 96 HB3 TYR 12 HB3 TYR 12 -2.907 -5.178 6.555 97 HD1 TYR 12 HD1 TYR 12 -6.202 -5.888 4.929 98 HD2 TYR 12 HD2 TYR 12 -2.556 -7.446 6.473 99 HE1 TYR 12 HE1 TYR 12 -6.882 -8.144 4.244 100 HE2 TYR 12 HE2 TYR 12 -3.226 -9.708 5.788 101 HH TYR 12 HH TYR 12 -5.313 -10.935 5.319 102 H GLU 13 H GLU 13 -3.269 -5.320 9.065 103 HA GLU 13 HA GLU 13 -4.338 -7.812 9.689 104 HB2 GLU 13 HB2 GLU 13 -2.097 -6.482 10.340 105 HB3 GLU 13 HB3 GLU 13 -2.980 -6.281 11.844 106 HG2 GLU 13 HG2 GLU 13 -2.589 -8.972 10.585 107 HG3 GLU 13 HG3 GLU 13 -1.382 -8.255 11.646 108 H VAL 14 H VAL 14 -4.996 -4.645 11.127 109 HA VAL 14 HA VAL 14 -6.697 -5.778 13.166 110 HB VAL 14 HB VAL 14 -6.283 -2.872 12.434 111 HG11 VAL 14 HG11 VAL 14 -7.084 -2.422 14.717 112 HG12 VAL 14 HG12 VAL 14 -7.441 -4.137 14.915 113 HG13 VAL 14 HG13 VAL 14 -8.315 -3.188 13.714 114 HG21 VAL 14 HG21 VAL 14 -4.758 -2.853 14.398 115 HG22 VAL 14 HG22 VAL 14 -4.171 -3.821 13.046 116 HG23 VAL 14 HG23 VAL 14 -4.882 -4.612 14.456 117 H ASN 15 H ASN 15 -7.150 -4.547 9.946 118 HA ASN 15 HA ASN 15 -9.995 -4.058 10.518 119 HB2 ASN 15 HB2 ASN 15 -8.055 -2.710 8.741 120 HB3 ASN 15 HB3 ASN 15 -9.695 -2.871 8.124 121 HD21 ASN 15 HD21 ASN 15 -8.194 -0.494 8.933 122 HD22 ASN 15 HD22 ASN 15 -9.166 0.286 10.134 123 H LYS 16 H LYS 16 -8.128 -4.989 7.594 124 HA LYS 16 HA LYS 16 -10.617 -5.939 6.465 125 HB2 LYS 16 HB2 LYS 16 -7.906 -6.062 5.163 126 HB3 LYS 16 HB3 LYS 16 -9.480 -6.039 4.385 127 HG2 LYS 16 HG2 LYS 16 -8.196 -3.763 5.876 128 HG3 LYS 16 HG3 LYS 16 -8.358 -3.914 4.127 129 HD2 LYS 16 HD2 LYS 16 -10.779 -3.799 4.313 130 HD3 LYS 16 HD3 LYS 16 -10.663 -3.748 6.074 131 HE2 LYS 16 HE2 LYS 16 -9.330 -1.646 5.842 132 HE3 LYS 16 HE3 LYS 16 -9.679 -1.677 4.115 133 HZ1 LYS 16 HZ1 LYS 16 -11.160 -0.229 5.473 134 HZ2 LYS 16 HZ2 LYS 16 -11.788 -1.625 6.210 135 HZ3 LYS 16 HZ3 LYS 16 -11.982 -1.382 4.540 136 H LEU 17 H LEU 17 -8.210 -7.356 8.287 137 HA LEU 17 HA LEU 17 -7.509 -9.693 7.033 138 HB2 LEU 17 HB2 LEU 17 -6.576 -8.881 9.168 139 HB3 LEU 17 HB3 LEU 17 -8.045 -9.384 9.982 140 HG LEU 17 HG LEU 17 -7.555 -11.736 9.210 141 HD11 LEU 17 HD11 LEU 17 -6.035 -11.166 7.384 142 HD12 LEU 17 HD12 LEU 17 -5.266 -12.246 8.547 143 HD13 LEU 17 HD13 LEU 17 -4.874 -10.526 8.549 144 HD21 LEU 17 HD21 LEU 17 -5.856 -12.127 10.932 145 HD22 LEU 17 HD22 LEU 17 -7.121 -11.031 11.490 146 HD23 LEU 17 HD23 LEU 17 -5.548 -10.392 11.010 147 HA PRO 18 HA PRO 18 -11.111 -12.202 8.898 148 HB2 PRO 18 HB2 PRO 18 -13.180 -11.025 10.140 149 HB3 PRO 18 HB3 PRO 18 -11.651 -11.346 10.972 150 HG2 PRO 18 HG2 PRO 18 -12.653 -8.795 9.759 151 HG3 PRO 18 HG3 PRO 18 -11.857 -9.052 11.323 152 HD2 PRO 18 HD2 PRO 18 -10.546 -8.150 9.111 153 HD3 PRO 18 HD3 PRO 18 -9.760 -9.093 10.392 154 H HIS 19 H HIS 19 -11.415 -9.736 6.742 155 HA HIS 19 HA HIS 19 -14.124 -10.562 5.924 156 HB2 HIS 19 HB2 HIS 19 -12.727 -7.943 5.334 157 HB3 HIS 19 HB3 HIS 19 -14.356 -8.381 4.831 158 HD2 HIS 19 HD2 HIS 19 -12.513 -6.838 7.780 159 HE1 HIS 19 HE1 HIS 19 -16.482 -7.595 9.024 160 HE2 HIS 19 HE2 HIS 19 -14.364 -6.296 9.514 161 H VAL 20 H VAL 20 -10.914 -10.860 5.136 162 HA VAL 20 HA VAL 20 -11.515 -11.117 2.266 163 HB VAL 20 HB VAL 20 -9.175 -10.626 1.791 164 HG11 VAL 20 HG11 VAL 20 -10.746 -8.770 1.846 165 HG12 VAL 20 HG12 VAL 20 -9.154 -8.257 2.404 166 HG13 VAL 20 HG13 VAL 20 -10.446 -8.547 3.571 167 HG21 VAL 20 HG21 VAL 20 -7.680 -9.816 3.577 168 HG22 VAL 20 HG22 VAL 20 -8.143 -11.504 3.794 169 HG23 VAL 20 HG23 VAL 20 -8.904 -10.248 4.771 170 H SER 21 H SER 21 -10.101 -12.686 1.125 171 HA SER 21 HA SER 21 -9.933 -15.155 2.648 172 HB2 SER 21 HB2 SER 21 -9.414 -14.679 -0.298 173 HB3 SER 21 HB3 SER 21 -9.670 -16.236 0.492 174 HG SER 21 HG SER 21 -11.749 -14.873 1.161 175 H GLU 22 H GLU 22 -7.953 -16.577 2.135 176 HA GLU 22 HA GLU 22 -5.668 -15.144 3.051 177 HB2 GLU 22 HB2 GLU 22 -5.881 -18.002 2.101 178 HB3 GLU 22 HB3 GLU 22 -4.522 -17.308 2.981 179 HG2 GLU 22 HG2 GLU 22 -6.218 -16.716 4.785 180 HG3 GLU 22 HG3 GLU 22 -7.307 -17.823 3.952 181 H SER 23 H SER 23 -6.816 -16.136 -0.058 182 HA SER 23 HA SER 23 -4.445 -15.704 -1.516 183 HB2 SER 23 HB2 SER 23 -6.179 -15.136 -3.377 184 HB3 SER 23 HB3 SER 23 -6.154 -16.771 -2.715 185 HG SER 23 HG SER 23 -8.263 -16.140 -2.694 186 H THR 24 H THR 24 -7.015 -13.584 -0.378 187 HA THR 24 HA THR 24 -6.021 -11.196 -1.535 188 HB THR 24 HB THR 24 -7.662 -11.339 0.994 189 HG1 THR 24 HG1 THR 24 -9.062 -11.129 -1.362 190 HG21 THR 24 HG21 THR 24 -8.636 -9.266 0.117 191 HG22 THR 24 HG22 THR 24 -7.596 -9.374 -1.303 192 HG23 THR 24 HG23 THR 24 -6.886 -9.123 0.292 193 H LYS 25 H LYS 25 -5.426 -12.885 1.508 194 HA LYS 25 HA LYS 25 -3.966 -10.978 2.898 195 HB2 LYS 25 HB2 LYS 25 -3.409 -13.951 2.730 196 HB3 LYS 25 HB3 LYS 25 -2.708 -12.865 3.918 197 HG2 LYS 25 HG2 LYS 25 -4.993 -12.394 4.760 198 HG3 LYS 25 HG3 LYS 25 -5.612 -13.605 3.635 199 HD2 LYS 25 HD2 LYS 25 -4.135 -15.287 4.695 200 HD3 LYS 25 HD3 LYS 25 -3.635 -14.069 5.867 201 HE2 LYS 25 HE2 LYS 25 -5.955 -13.863 6.633 202 HE3 LYS 25 HE3 LYS 25 -6.444 -15.090 5.465 203 HZ1 LYS 25 HZ1 LYS 25 -4.883 -16.632 6.611 204 HZ2 LYS 25 HZ2 LYS 25 -6.192 -16.139 7.566 205 HZ3 LYS 25 HZ3 LYS 25 -4.660 -15.450 7.814 206 H ARG 26 H ARG 26 -2.886 -13.272 0.436 207 HA ARG 26 HA ARG 26 -0.189 -12.621 0.365 208 HB2 ARG 26 HB2 ARG 26 -2.061 -13.628 -1.753 209 HB3 ARG 26 HB3 ARG 26 -0.364 -13.327 -2.099 210 HG2 ARG 26 HG2 ARG 26 0.211 -14.887 -0.239 211 HG3 ARG 26 HG3 ARG 26 -1.506 -15.285 -0.125 212 HD2 ARG 26 HD2 ARG 26 -1.529 -16.136 -2.352 213 HD3 ARG 26 HD3 ARG 26 0.096 -15.527 -2.660 214 HE ARG 26 HE ARG 26 -0.116 -17.450 -0.507 215 HH11 ARG 26 HH11 ARG 26 0.495 -16.895 -3.897 216 HH12 ARG 26 HH12 ARG 26 1.342 -18.393 -4.133 217 HH21 ARG 26 HH21 ARG 26 0.996 -19.427 -0.784 218 HH22 ARG 26 HH22 ARG 26 1.592 -19.855 -2.367 219 H HIS 27 H HIS 27 -2.882 -11.104 -1.379 220 HA HIS 27 HA HIS 27 -1.411 -9.361 -2.985 221 HB2 HIS 27 HB2 HIS 27 -4.167 -9.117 -1.780 222 HB3 HIS 27 HB3 HIS 27 -3.496 -7.867 -2.820 223 HD2 HIS 27 HD2 HIS 27 -4.339 -11.712 -3.124 224 HE1 HIS 27 HE1 HIS 27 -4.690 -9.820 -6.895 225 HE2 HIS 27 HE2 HIS 27 -5.142 -11.945 -5.582 226 H TYR 28 H TYR 28 -2.688 -8.874 0.285 227 HA TYR 28 HA TYR 28 -1.674 -6.238 0.538 228 HB2 TYR 28 HB2 TYR 28 -2.762 -8.249 2.479 229 HB3 TYR 28 HB3 TYR 28 -2.030 -6.755 3.056 230 HD1 TYR 28 HD2 TYR 28 -4.861 -8.181 1.180 231 HD2 TYR 28 HD1 TYR 28 -3.113 -4.639 2.758 232 HE1 TYR 28 HE2 TYR 28 -6.977 -6.979 0.819 233 HE2 TYR 28 HE1 TYR 28 -5.221 -3.430 2.395 234 HH TYR 28 HH TYR 28 -8.153 -5.012 1.661 235 H GLU 29 H GLU 29 -0.422 -9.417 1.494 236 HA GLU 29 HA GLU 29 1.810 -8.419 2.909 237 HB2 GLU 29 HB2 GLU 29 1.350 -11.071 1.550 238 HB3 GLU 29 HB3 GLU 29 2.783 -10.710 2.502 239 HG2 GLU 29 HG2 GLU 29 1.276 -10.215 4.430 240 HG3 GLU 29 HG3 GLU 29 -0.065 -10.810 3.454 241 H SER 30 H SER 30 1.401 -9.380 -0.487 242 HA SER 30 HA SER 30 4.063 -8.935 -1.273 243 HB2 SER 30 HB2 SER 30 1.500 -8.695 -2.869 244 HB3 SER 30 HB3 SER 30 3.117 -8.681 -3.573 245 HG SER 30 HG SER 30 2.837 -10.793 -1.914 246 H ALA 31 H ALA 31 1.244 -6.775 -1.256 247 HA ALA 31 HA ALA 31 2.499 -4.476 -2.228 248 HB1 ALA 31 HB1 ALA 31 0.264 -4.676 -0.209 249 HB2 ALA 31 HB2 ALA 31 0.078 -4.671 -1.963 250 HB3 ALA 31 HB3 ALA 31 0.690 -3.237 -1.139 251 H TYR 32 H TYR 32 2.000 -5.541 1.114 252 HA TYR 32 HA TYR 32 3.241 -3.458 2.446 253 HB2 TYR 32 HB2 TYR 32 1.954 -4.996 3.701 254 HB3 TYR 32 HB3 TYR 32 2.886 -6.370 3.122 255 HD1 TYR 32 HD2 TYR 32 3.576 -3.160 4.929 256 HD2 TYR 32 HD1 TYR 32 4.244 -7.353 4.686 257 HE1 TYR 32 HE2 TYR 32 4.997 -3.046 6.931 258 HE2 TYR 32 HE1 TYR 32 5.669 -7.248 6.685 259 HH TYR 32 HH TYR 32 5.750 -4.614 8.752 260 H LYS 33 H LYS 33 4.717 -6.518 1.334 261 HA LYS 33 HA LYS 33 7.255 -5.895 2.426 262 HB2 LYS 33 HB2 LYS 33 8.084 -7.832 1.311 263 HB3 LYS 33 HB3 LYS 33 6.467 -8.203 1.887 264 HG2 LYS 33 HG2 LYS 33 5.618 -7.777 -0.409 265 HG3 LYS 33 HG3 LYS 33 7.289 -7.573 -0.940 266 HD2 LYS 33 HD2 LYS 33 7.766 -9.864 -0.074 267 HD3 LYS 33 HD3 LYS 33 6.041 -10.051 0.246 268 HE2 LYS 33 HE2 LYS 33 6.552 -11.087 -1.856 269 HE3 LYS 33 HE3 LYS 33 5.604 -9.633 -2.160 270 HZ1 LYS 33 HZ1 LYS 33 8.566 -9.766 -2.359 271 HZ2 LYS 33 HZ2 LYS 33 7.575 -8.467 -2.804 272 HZ3 LYS 33 HZ3 LYS 33 7.515 -9.912 -3.680 273 H HIS 34 H HIS 34 5.785 -5.217 -0.699 274 HA HIS 34 HA HIS 34 8.219 -4.328 -1.915 275 HB2 HIS 34 HB2 HIS 34 5.318 -4.057 -2.620 276 HB3 HIS 34 HB3 HIS 34 6.522 -3.106 -3.479 277 HD1 HIS 34 HD1 HIS 34 8.635 -4.826 -4.380 278 HD2 HIS 34 HD2 HIS 34 4.792 -6.344 -3.881 279 HE1 HIS 34 HE1 HIS 34 8.501 -6.916 -5.799 280 H ILE 35 H ILE 35 5.599 -2.752 -0.151 281 HA ILE 35 HA ILE 35 6.425 -0.096 -0.565 282 HB ILE 35 HB ILE 35 4.895 -1.310 1.740 283 HG12 ILE 35 HG12 ILE 35 3.977 0.329 -0.637 284 HG13 ILE 35 HG13 ILE 35 3.821 -1.420 -0.495 285 HG21 ILE 35 HG21 ILE 35 5.347 1.598 1.070 286 HG22 ILE 35 HG22 ILE 35 5.977 0.743 2.476 287 HG23 ILE 35 HG23 ILE 35 4.240 0.994 2.305 288 HD11 ILE 35 HD11 ILE 35 2.532 0.605 1.319 289 HD12 ILE 35 HD12 ILE 35 2.343 -1.147 1.411 290 HD13 ILE 35 HD13 ILE 35 1.733 -0.265 0.009 291 H LYS 36 H LYS 36 7.100 -2.330 2.134 292 HA LYS 36 HA LYS 36 8.791 -0.490 3.479 293 HB2 LYS 36 HB2 LYS 36 9.435 -2.386 4.885 294 HB3 LYS 36 HB3 LYS 36 7.696 -2.301 4.682 295 HG2 LYS 36 HG2 LYS 36 7.889 -4.061 2.934 296 HG3 LYS 36 HG3 LYS 36 9.596 -4.209 3.351 297 HD2 LYS 36 HD2 LYS 36 7.267 -4.641 5.220 298 HD3 LYS 36 HD3 LYS 36 8.266 -5.903 4.498 299 HE2 LYS 36 HE2 LYS 36 10.202 -5.115 5.695 300 HE3 LYS 36 HE3 LYS 36 9.299 -3.738 6.326 301 HZ1 LYS 36 HZ1 LYS 36 9.508 -5.542 7.946 302 HZ2 LYS 36 HZ2 LYS 36 8.683 -6.589 6.903 303 HZ3 LYS 36 HZ3 LYS 36 7.889 -5.241 7.558 304 H ASP 37 H ASP 37 9.300 -2.794 0.951 305 HA ASP 37 HA ASP 37 12.101 -3.068 1.089 306 HB2 ASP 37 HB2 ASP 37 10.649 -4.533 -0.260 307 HB3 ASP 37 HB3 ASP 37 10.253 -3.181 -1.312 308 H HIS 38 H HIS 38 10.045 -0.781 -0.689 309 HA HIS 38 HA HIS 38 12.371 0.676 -1.649 310 HB2 HIS 38 HB2 HIS 38 9.414 0.928 -2.100 311 HB3 HIS 38 HB3 HIS 38 10.490 2.255 -2.522 312 HD1 HIS 38 HD1 HIS 38 11.622 2.124 -4.735 313 HD2 HIS 38 HD2 HIS 38 10.012 -1.524 -3.554 314 HE1 HIS 38 HE1 HIS 38 11.877 0.597 -6.718 315 HE2 HIS 38 HE2 HIS 38 11.096 -1.656 -5.902 316 H PHE 39 H PHE 39 9.588 1.298 0.466 317 HA PHE 39 HA PHE 39 10.713 3.869 1.238 318 HB2 PHE 39 HB2 PHE 39 8.095 2.538 1.976 319 HB3 PHE 39 HB3 PHE 39 8.571 4.165 2.454 320 HD1 PHE 39 HD1 PHE 39 9.134 5.806 0.533 321 HD2 PHE 39 HD2 PHE 39 6.917 2.210 0.017 322 HE1 PHE 39 HE1 PHE 39 8.183 6.697 -1.554 323 HE2 PHE 39 HE2 PHE 39 5.964 3.094 -2.073 324 HZ PHE 39 HZ PHE 39 6.596 5.341 -2.860 325 H ARG 40 H ARG 40 12.485 2.295 2.072 326 HA ARG 40 HA ARG 40 12.276 0.883 4.452 327 HB2 ARG 40 HB2 ARG 40 14.562 2.484 3.304 328 HB3 ARG 40 HB3 ARG 40 14.722 1.478 4.735 329 HG2 ARG 40 HG2 ARG 40 13.864 0.460 2.038 330 HG3 ARG 40 HG3 ARG 40 15.519 0.409 2.646 331 HD2 ARG 40 HD2 ARG 40 14.565 -0.831 4.649 332 HD3 ARG 40 HD3 ARG 40 13.099 -1.019 3.690 333 HE ARG 40 HE ARG 40 15.644 -1.920 2.555 334 HH11 ARG 40 HH11 ARG 40 12.478 -2.647 3.834 335 HH12 ARG 40 HH12 ARG 40 12.529 -4.328 3.389 336 HH21 ARG 40 HH21 ARG 40 15.730 -4.127 1.952 337 HH22 ARG 40 HH22 ARG 40 14.399 -5.181 2.354 338 H HIS 41 H HIS 41 11.409 1.600 6.285 339 HA HIS 41 HA HIS 41 11.000 2.856 8.142 340 HB2 HIS 41 HB2 HIS 41 13.782 3.673 7.415 341 HB3 HIS 41 HB3 HIS 41 12.945 4.550 8.689 342 HD1 HIS 41 HD1 HIS 41 14.209 3.729 10.677 343 HD2 HIS 41 HD2 HIS 41 12.824 0.631 8.274 344 HE1 HIS 41 HE1 HIS 41 14.637 1.617 11.981 345 HE2 HIS 41 HE2 HIS 41 13.610 -0.221 10.587 346 H LYS 42 H LYS 42 10.107 3.856 5.504 347 HA LYS 42 HA LYS 42 10.368 6.717 5.604 348 HB2 LYS 42 HB2 LYS 42 9.748 4.915 3.625 349 HB3 LYS 42 HB3 LYS 42 8.187 5.651 3.966 350 HG2 LYS 42 HG2 LYS 42 9.365 6.816 2.170 351 HG3 LYS 42 HG3 LYS 42 9.119 7.861 3.574 352 HD2 LYS 42 HD2 LYS 42 11.411 7.422 4.308 353 HD3 LYS 42 HD3 LYS 42 11.659 6.369 2.916 354 HE2 LYS 42 HE2 LYS 42 11.365 8.233 1.406 355 HE3 LYS 42 HE3 LYS 42 10.981 9.302 2.758 356 HZ1 LYS 42 HZ1 LYS 42 13.579 7.923 2.330 357 HZ2 LYS 42 HZ2 LYS 42 13.204 8.955 3.623 358 HZ3 LYS 42 HZ3 LYS 42 13.272 9.569 2.044 359 H LEU 43 H LEU 43 9.049 8.155 6.498 360 HA LEU 43 HA LEU 43 7.066 7.319 8.349 361 HB2 LEU 43 HB2 LEU 43 7.633 10.077 7.258 362 HB3 LEU 43 HB3 LEU 43 6.632 9.718 8.652 363 HG LEU 43 HG LEU 43 9.592 9.170 8.452 364 HD11 LEU 43 HD11 LEU 43 9.793 10.982 10.096 365 HD12 LEU 43 HD12 LEU 43 8.064 11.298 9.941 366 HD13 LEU 43 HD13 LEU 43 9.131 11.546 8.560 367 HD21 LEU 43 HD21 LEU 43 8.443 7.568 9.885 368 HD22 LEU 43 HD22 LEU 43 7.676 8.888 10.765 369 HD23 LEU 43 HD23 LEU 43 9.424 8.676 10.845 370 H LEU 44 H LEU 44 4.820 7.931 8.328 371 HA LEU 44 HA LEU 44 3.519 7.035 6.008 372 HB2 LEU 44 HB2 LEU 44 2.765 7.063 8.480 373 HB3 LEU 44 HB3 LEU 44 2.215 8.690 8.155 374 HG LEU 44 HG LEU 44 1.243 6.304 6.585 375 HD11 LEU 44 HD11 LEU 44 0.005 7.582 9.021 376 HD12 LEU 44 HD12 LEU 44 0.726 5.975 8.948 377 HD13 LEU 44 HD13 LEU 44 -0.732 6.330 8.022 378 HD21 LEU 44 HD21 LEU 44 0.097 9.065 6.989 379 HD22 LEU 44 HD22 LEU 44 -0.619 7.771 6.029 380 HD23 LEU 44 HD23 LEU 44 0.912 8.491 5.534 381 H LYS 45 H LYS 45 4.108 10.254 7.285 382 HA LYS 45 HA LYS 45 2.610 11.502 5.134 383 HB2 LYS 45 HB2 LYS 45 3.198 13.615 6.365 384 HB3 LYS 45 HB3 LYS 45 2.250 12.456 7.286 385 HG2 LYS 45 HG2 LYS 45 3.851 13.208 8.799 386 HG3 LYS 45 HG3 LYS 45 4.479 11.664 8.249 387 HD2 LYS 45 HD2 LYS 45 6.314 13.175 8.303 388 HD3 LYS 45 HD3 LYS 45 5.904 12.918 6.611 389 HE2 LYS 45 HE2 LYS 45 4.987 15.290 8.232 390 HE3 LYS 45 HE3 LYS 45 6.427 15.286 7.220 391 HZ1 LYS 45 HZ1 LYS 45 3.598 15.099 6.384 392 HZ2 LYS 45 HZ2 LYS 45 4.853 14.634 5.350 393 HZ3 LYS 45 HZ3 LYS 45 4.764 16.231 5.904 394 H ASP 46 H ASP 46 5.641 10.282 5.353 395 HA ASP 46 HA ASP 46 6.968 12.548 4.063 396 HB2 ASP 46 HB2 ASP 46 8.125 11.291 5.905 397 HB3 ASP 46 HB3 ASP 46 8.197 9.894 4.833 398 H ILE 47 H ILE 47 5.211 9.865 3.236 399 HA ILE 47 HA ILE 47 6.474 9.128 0.804 400 HB ILE 47 HB ILE 47 3.506 8.998 1.372 401 HG12 ILE 47 HG12 ILE 47 4.716 7.956 3.237 402 HG13 ILE 47 HG13 ILE 47 3.891 6.741 2.269 403 HG21 ILE 47 HG21 ILE 47 3.584 7.070 -0.158 404 HG22 ILE 47 HG22 ILE 47 5.301 7.367 -0.425 405 HG23 ILE 47 HG23 ILE 47 4.109 8.561 -0.935 406 HD11 ILE 47 HD11 ILE 47 5.991 6.164 1.187 407 HD12 ILE 47 HD12 ILE 47 6.105 6.003 2.940 408 HD13 ILE 47 HD13 ILE 47 6.823 7.397 2.134 409 H LYS 48 H LYS 48 6.498 10.172 -1.102 410 HA LYS 48 HA LYS 48 4.877 12.616 -1.319 411 HB2 LYS 48 HB2 LYS 48 7.574 12.017 -2.553 412 HB3 LYS 48 HB3 LYS 48 6.685 13.530 -2.699 413 HG2 LYS 48 HG2 LYS 48 6.922 13.977 -0.362 414 HG3 LYS 48 HG3 LYS 48 7.612 12.379 -0.078 415 HD2 LYS 48 HD2 LYS 48 9.514 13.021 -1.561 416 HD3 LYS 48 HD3 LYS 48 8.843 14.655 -1.625 417 HE2 LYS 48 HE2 LYS 48 10.606 14.475 0.070 418 HE3 LYS 48 HE3 LYS 48 9.042 14.849 0.794 419 HZ1 LYS 48 HZ1 LYS 48 10.183 13.162 2.077 420 HZ2 LYS 48 HZ2 LYS 48 10.332 12.170 0.710 421 HZ3 LYS 48 HZ3 LYS 48 8.803 12.492 1.360 422 H ARG 49 H ARG 49 4.109 13.175 -3.462 423 HA ARG 49 HA ARG 49 2.926 10.911 -4.676 424 HB2 ARG 49 HB2 ARG 49 1.987 12.542 -6.308 425 HB3 ARG 49 HB3 ARG 49 1.691 12.951 -4.628 426 HG2 ARG 49 HG2 ARG 49 3.630 14.536 -4.777 427 HG3 ARG 49 HG3 ARG 49 3.647 14.231 -6.517 428 HD2 ARG 49 HD2 ARG 49 1.253 14.918 -6.585 429 HD3 ARG 49 HD3 ARG 49 1.384 15.371 -4.888 430 HE ARG 49 HE ARG 49 3.031 16.622 -6.996 431 HH11 ARG 49 HH11 ARG 49 1.039 16.847 -4.119 432 HH12 ARG 49 HH12 ARG 49 1.103 18.583 -4.059 433 HH21 ARG 49 HH21 ARG 49 3.129 18.907 -6.892 434 HH22 ARG 49 HH22 ARG 49 2.277 19.743 -5.628 435 H THR 50 H THR 50 5.611 12.982 -5.624 436 HA THR 50 HA THR 50 5.982 11.776 -8.174 437 HB THR 50 HB THR 50 8.317 12.803 -7.962 438 HG1 THR 50 HG1 THR 50 8.654 13.098 -5.825 439 HG21 THR 50 HG21 THR 50 6.512 13.904 -9.161 440 HG22 THR 50 HG22 THR 50 7.446 15.091 -8.249 441 HG23 THR 50 HG23 THR 50 5.877 14.553 -7.651 442 H GLU 51 H GLU 51 7.004 11.026 -4.942 443 HA GLU 51 HA GLU 51 9.025 9.135 -5.693 444 HB2 GLU 51 HB2 GLU 51 8.566 10.471 -3.419 445 HB3 GLU 51 HB3 GLU 51 7.695 8.995 -3.033 446 HG2 GLU 51 HG2 GLU 51 9.783 8.577 -2.173 447 HG3 GLU 51 HG3 GLU 51 9.873 7.805 -3.756 448 H TYR 52 H TYR 52 5.647 9.058 -4.769 449 HA TYR 52 HA TYR 52 5.393 6.251 -4.523 450 HB2 TYR 52 HB2 TYR 52 3.811 7.756 -3.462 451 HB3 TYR 52 HB3 TYR 52 3.325 8.403 -5.024 452 HD1 TYR 52 HD1 TYR 52 3.608 5.028 -3.414 453 HD2 TYR 52 HD2 TYR 52 1.287 7.687 -5.787 454 HE1 TYR 52 HE1 TYR 52 1.828 3.339 -3.557 455 HE2 TYR 52 HE2 TYR 52 -0.502 6.009 -5.930 456 HH TYR 52 HH TYR 52 -0.530 3.182 -3.986 457 H GLN 53 H GLN 53 4.826 8.504 -7.202 458 HA GLN 53 HA GLN 53 3.767 6.681 -9.032 459 HB2 GLN 53 HB2 GLN 53 3.770 9.080 -9.473 460 HB3 GLN 53 HB3 GLN 53 5.530 9.085 -9.559 461 HG2 GLN 53 HG2 GLN 53 4.576 9.136 -11.775 462 HG3 GLN 53 HG3 GLN 53 5.435 7.620 -11.510 463 HE21 GLN 53 HE21 GLN 53 4.387 6.321 -12.864 464 HE22 GLN 53 HE22 GLN 53 2.699 5.950 -12.773 465 H LYS 54 H LYS 54 7.134 7.463 -8.277 466 HA LYS 54 HA LYS 54 8.436 5.894 -10.164 467 HB2 LYS 54 HB2 LYS 54 9.234 6.379 -7.289 468 HB3 LYS 54 HB3 LYS 54 10.295 5.741 -8.536 469 HG2 LYS 54 HG2 LYS 54 10.195 7.804 -9.752 470 HG3 LYS 54 HG3 LYS 54 8.986 8.448 -8.637 471 HD2 LYS 54 HD2 LYS 54 10.632 8.249 -6.802 472 HD3 LYS 54 HD3 LYS 54 11.836 7.713 -7.976 473 HE2 LYS 54 HE2 LYS 54 11.694 9.826 -9.140 474 HE3 LYS 54 HE3 LYS 54 10.396 10.363 -8.072 475 HZ1 LYS 54 HZ1 LYS 54 13.205 9.786 -7.283 476 HZ2 LYS 54 HZ2 LYS 54 11.962 10.197 -6.204 477 HZ3 LYS 54 HZ3 LYS 54 12.474 11.317 -7.375 478 H PHE 55 H PHE 55 7.103 4.997 -7.026 479 HA PHE 55 HA PHE 55 7.984 2.321 -6.990 480 HB2 PHE 55 HB2 PHE 55 7.214 3.375 -4.960 481 HB3 PHE 55 HB3 PHE 55 5.632 3.685 -5.662 482 HD1 PHE 55 HD1 PHE 55 7.908 0.900 -4.701 483 HD2 PHE 55 HD2 PHE 55 3.901 2.196 -5.314 484 HE1 PHE 55 HE1 PHE 55 7.080 -1.226 -3.776 485 HE2 PHE 55 HE2 PHE 55 3.066 0.075 -4.396 486 HZ PHE 55 HZ PHE 55 4.656 -1.640 -3.625 487 H LEU 56 H LEU 56 4.989 3.828 -8.139 488 HA LEU 56 HA LEU 56 3.679 1.458 -8.914 489 HB2 LEU 56 HB2 LEU 56 3.413 4.251 -10.022 490 HB3 LEU 56 HB3 LEU 56 2.305 2.933 -10.350 491 HG LEU 56 HG LEU 56 2.810 4.172 -7.643 492 HD11 LEU 56 HD11 LEU 56 0.542 5.039 -7.874 493 HD12 LEU 56 HD12 LEU 56 0.440 4.353 -9.496 494 HD13 LEU 56 HD13 LEU 56 1.591 5.644 -9.154 495 HD21 LEU 56 HD21 LEU 56 0.944 2.792 -6.891 496 HD22 LEU 56 HD22 LEU 56 2.263 1.789 -7.496 497 HD23 LEU 56 HD23 LEU 56 0.830 2.056 -8.488 498 H ASN 57 H ASN 57 5.821 3.656 -10.683 499 HA ASN 57 HA ASN 57 5.628 2.563 -13.232 500 HB2 ASN 57 HB2 ASN 57 8.044 3.748 -11.848 501 HB3 ASN 57 HB3 ASN 57 7.992 3.360 -13.561 502 HD21 ASN 57 HD21 ASN 57 8.397 5.886 -12.164 503 HD22 ASN 57 HD22 ASN 57 7.193 6.970 -12.774 504 H GLU 58 H GLU 58 7.894 1.701 -10.636 505 HA GLU 58 HA GLU 58 9.163 -0.343 -12.159 506 HB2 GLU 58 HB2 GLU 58 9.214 0.081 -9.167 507 HB3 GLU 58 HB3 GLU 58 10.351 -0.879 -10.103 508 HG2 GLU 58 HG2 GLU 58 9.985 2.106 -10.220 509 HG3 GLU 58 HG3 GLU 58 11.350 1.226 -9.533 510 H TYR 59 H TYR 59 6.612 -0.316 -9.717 511 HA TYR 59 HA TYR 59 6.479 -3.112 -9.340 512 HB2 TYR 59 HB2 TYR 59 5.443 -1.449 -7.807 513 HB3 TYR 59 HB3 TYR 59 4.248 -1.084 -9.046 514 HD1 TYR 59 HD2 TYR 59 5.372 -3.550 -6.581 515 HD2 TYR 59 HD1 TYR 59 2.443 -2.638 -9.528 516 HE1 TYR 59 HE2 TYR 59 3.952 -5.365 -5.723 517 HE2 TYR 59 HE1 TYR 59 1.016 -4.451 -8.682 518 HH TYR 59 HH TYR 59 1.505 -5.954 -5.726 519 H GLY 60 H GLY 60 4.939 -0.918 -11.615 520 HA2 GLY 60 HA2 GLY 60 3.214 -2.924 -12.733 521 HA3 GLY 60 HA3 GLY 60 3.481 -1.306 -13.362 522 H LEU 61 H LEU 61 6.464 -2.666 -12.931 523 HA LEU 61 HA LEU 61 6.684 -3.360 -15.752 524 HB2 LEU 61 HB2 LEU 61 8.776 -3.190 -13.579 525 HB3 LEU 61 HB3 LEU 61 9.112 -3.545 -15.262 526 HG LEU 61 HG LEU 61 7.947 -0.959 -14.223 527 HD11 LEU 61 HD11 LEU 61 10.120 -0.008 -14.826 528 HD12 LEU 61 HD12 LEU 61 10.705 -1.618 -15.245 529 HD13 LEU 61 HD13 LEU 61 10.277 -1.242 -13.577 530 HD21 LEU 61 HD21 LEU 61 7.196 -1.516 -16.489 531 HD22 LEU 61 HD22 LEU 61 8.875 -1.725 -16.987 532 HD23 LEU 61 HD23 LEU 61 8.295 -0.137 -16.485 533 H THR 62 H THR 62 6.046 -4.941 -12.862 534 HA THR 62 HA THR 62 6.918 -7.512 -14.001 535 HB THR 62 HB THR 62 7.319 -8.226 -11.578 536 HG1 THR 62 HG1 THR 62 8.064 -5.792 -10.717 537 HG21 THR 62 HG21 THR 62 9.595 -7.278 -11.552 538 HG22 THR 62 HG22 THR 62 9.128 -6.159 -12.831 539 HG23 THR 62 HG23 THR 62 9.151 -7.894 -13.144 540 H HIS 63 H HIS 63 4.282 -5.789 -13.252 541 HA HIS 63 HA HIS 63 2.764 -8.153 -12.430 542 HB2 HIS 63 HB2 HIS 63 2.715 -5.479 -11.020 543 HB3 HIS 63 HB3 HIS 63 1.455 -6.695 -10.825 544 HD1 HIS 63 HD1 HIS 63 5.085 -6.052 -10.030 545 HD2 HIS 63 HD2 HIS 63 2.115 -8.836 -9.181 546 HE1 HIS 63 HE1 HIS 63 6.006 -7.483 -8.179 547 HE2 HIS 63 HE2 HIS 63 4.285 -9.298 -7.848 548 H SER 64 H SER 64 0.345 -7.705 -12.574 549 HA SER 64 HA SER 64 -0.082 -6.622 -15.229 550 HB2 SER 64 HB2 SER 64 -0.949 -8.876 -14.448 551 HB3 SER 64 HB3 SER 64 -2.099 -7.996 -13.445 552 HG SER 64 HG SER 64 -1.904 -8.092 -16.267 553 H TYR 65 H TYR 65 -2.248 -5.465 -15.574 554 HA TYR 65 HA TYR 65 -2.037 -2.969 -14.298 555 HB2 TYR 65 HB2 TYR 65 -2.842 -3.082 -16.552 556 HB3 TYR 65 HB3 TYR 65 -4.178 -4.127 -16.082 557 HD1 TYR 65 HD2 TYR 65 -2.809 -0.704 -15.486 558 HD2 TYR 65 HD1 TYR 65 -6.258 -3.202 -15.611 559 HE1 TYR 65 HE2 TYR 65 -4.242 1.267 -15.146 560 HE2 TYR 65 HE1 TYR 65 -7.692 -1.236 -15.284 561 HH TYR 65 HH TYR 65 -6.516 1.982 -15.503 562 H GLU 66 H GLU 66 -4.450 -5.568 -13.915 563 HA GLU 66 HA GLU 66 -6.091 -4.162 -12.112 564 HB2 GLU 66 HB2 GLU 66 -6.521 -6.403 -13.340 565 HB3 GLU 66 HB3 GLU 66 -5.708 -7.135 -11.963 566 HG2 GLU 66 HG2 GLU 66 -7.370 -5.812 -10.534 567 HG3 GLU 66 HG3 GLU 66 -8.273 -5.610 -12.039 568 H THR 67 H THR 67 -3.195 -6.066 -11.695 569 HA THR 67 HA THR 67 -3.246 -6.353 -8.905 570 HB THR 67 HB THR 67 -0.706 -6.049 -10.490 571 HG1 THR 67 HG1 THR 67 -2.045 -8.524 -10.324 572 HG21 THR 67 HG21 THR 67 0.073 -7.813 -8.972 573 HG22 THR 67 HG22 THR 67 -1.513 -7.854 -8.204 574 HG23 THR 67 HG23 THR 67 -0.508 -6.410 -8.076 575 H ILE 68 H ILE 68 -1.779 -3.859 -10.995 576 HA ILE 68 HA ILE 68 -0.702 -2.396 -8.806 577 HB ILE 68 HB ILE 68 0.212 -2.249 -11.124 578 HG12 ILE 68 HG12 ILE 68 -0.610 0.389 -9.888 579 HG13 ILE 68 HG13 ILE 68 0.767 -0.588 -9.390 580 HG21 ILE 68 HG21 ILE 68 -0.834 -0.696 -12.713 581 HG22 ILE 68 HG22 ILE 68 -2.225 -0.554 -11.637 582 HG23 ILE 68 HG23 ILE 68 -1.846 -2.104 -12.387 583 HD11 ILE 68 HD11 ILE 68 0.421 0.667 -12.104 584 HD12 ILE 68 HD12 ILE 68 1.826 -0.239 -11.538 585 HD13 ILE 68 HD13 ILE 68 1.415 1.307 -10.796 586 H ARG 69 H ARG 69 -3.765 -2.252 -10.575 587 HA ARG 69 HA ARG 69 -4.750 0.152 -9.507 588 HB2 ARG 69 HB2 ARG 69 -6.181 -2.377 -10.299 589 HB3 ARG 69 HB3 ARG 69 -7.033 -0.959 -9.711 590 HG2 ARG 69 HG2 ARG 69 -5.738 0.247 -11.617 591 HG3 ARG 69 HG3 ARG 69 -5.600 -1.385 -12.279 592 HD2 ARG 69 HD2 ARG 69 -8.079 0.208 -11.699 593 HD3 ARG 69 HD3 ARG 69 -7.570 -0.521 -13.222 594 HE ARG 69 HE ARG 69 -8.354 -2.177 -10.904 595 HH11 ARG 69 HH11 ARG 69 -8.751 -1.238 -14.259 596 HH12 ARG 69 HH12 ARG 69 -9.792 -2.571 -14.640 597 HH21 ARG 69 HH21 ARG 69 -9.762 -3.912 -11.399 598 HH22 ARG 69 HH22 ARG 69 -10.353 -4.101 -13.025 599 H LYS 70 H LYS 70 -5.075 -3.175 -8.311 600 HA LYS 70 HA LYS 70 -6.503 -2.383 -5.994 601 HB2 LYS 70 HB2 LYS 70 -5.400 -4.915 -7.055 602 HB3 LYS 70 HB3 LYS 70 -5.660 -4.838 -5.313 603 HG2 LYS 70 HG2 LYS 70 -7.885 -4.892 -5.515 604 HG3 LYS 70 HG3 LYS 70 -7.886 -3.790 -6.888 605 HD2 LYS 70 HD2 LYS 70 -8.772 -5.914 -7.578 606 HD3 LYS 70 HD3 LYS 70 -7.203 -5.670 -8.342 607 HE2 LYS 70 HE2 LYS 70 -6.151 -7.212 -6.914 608 HE3 LYS 70 HE3 LYS 70 -7.515 -7.228 -5.794 609 HZ1 LYS 70 HZ1 LYS 70 -7.352 -9.210 -7.287 610 HZ2 LYS 70 HZ2 LYS 70 -7.702 -8.189 -8.600 611 HZ3 LYS 70 HZ3 LYS 70 -8.834 -8.392 -7.355 612 H LEU 71 H LEU 71 -3.096 -2.997 -6.654 613 HA LEU 71 HA LEU 71 -2.030 -2.767 -4.108 614 HB2 LEU 71 HB2 LEU 71 -0.605 -3.177 -6.008 615 HB3 LEU 71 HB3 LEU 71 -1.052 -1.647 -6.738 616 HG LEU 71 HG LEU 71 0.047 -0.535 -4.721 617 HD11 LEU 71 HD11 LEU 71 1.756 -1.846 -3.574 618 HD12 LEU 71 HD12 LEU 71 1.208 -3.297 -4.413 619 HD13 LEU 71 HD13 LEU 71 0.139 -2.484 -3.270 620 HD21 LEU 71 HD21 LEU 71 1.751 -2.124 -6.630 621 HD22 LEU 71 HD22 LEU 71 2.272 -0.718 -5.703 622 HD23 LEU 71 HD23 LEU 71 1.032 -0.545 -6.946 623 H ASN 72 H ASN 72 -2.662 -0.139 -6.411 624 HA ASN 72 HA ASN 72 -2.215 2.009 -4.674 625 HB2 ASN 72 HB2 ASN 72 -2.304 2.345 -7.067 626 HB3 ASN 72 HB3 ASN 72 -3.971 1.789 -7.130 627 HD21 ASN 72 HD21 ASN 72 -1.849 4.369 -6.099 628 HD22 ASN 72 HD22 ASN 72 -3.076 5.585 -6.002 629 H SER 73 H SER 73 -5.133 0.152 -5.370 630 HA SER 73 HA SER 73 -6.985 1.731 -4.004 631 HB2 SER 73 HB2 SER 73 -6.976 -1.274 -4.375 632 HB3 SER 73 HB3 SER 73 -8.375 -0.309 -3.900 633 HG SER 73 HG SER 73 -6.909 -0.061 -6.331 634 H TYR 74 H TYR 74 -4.969 -0.954 -2.767 635 HA TYR 74 HA TYR 74 -6.057 -0.918 -0.145 636 HB2 TYR 74 HB2 TYR 74 -3.232 -1.737 -0.853 637 HB3 TYR 74 HB3 TYR 74 -4.189 -2.271 0.521 638 HD1 TYR 74 HD2 TYR 74 -6.775 -2.836 -1.018 639 HD2 TYR 74 HD1 TYR 74 -2.709 -3.817 -1.789 640 HE1 TYR 74 HE2 TYR 74 -7.500 -4.795 -2.321 641 HE2 TYR 74 HE1 TYR 74 -3.415 -5.772 -3.092 642 HH TYR 74 HH TYR 74 -5.292 -7.229 -3.370 643 H ILE 75 H ILE 75 -3.200 0.567 -1.592 644 HA ILE 75 HA ILE 75 -2.186 1.798 0.708 645 HB ILE 75 HB ILE 75 -1.918 2.600 -2.194 646 HG12 ILE 75 HG12 ILE 75 -0.076 1.033 -0.371 647 HG13 ILE 75 HG13 ILE 75 -1.093 0.338 -1.628 648 HG21 ILE 75 HG21 ILE 75 0.049 3.875 -1.517 649 HG22 ILE 75 HG22 ILE 75 -0.274 3.489 0.174 650 HG23 ILE 75 HG23 ILE 75 -1.407 4.490 -0.734 651 HD11 ILE 75 HD11 ILE 75 1.197 2.246 -2.042 652 HD12 ILE 75 HD12 ILE 75 0.165 1.592 -3.316 653 HD13 ILE 75 HD13 ILE 75 1.197 0.513 -2.376 654 H ARG 76 H ARG 76 -4.404 3.049 -1.788 655 HA ARG 76 HA ARG 76 -4.659 5.621 -0.659 656 HB2 ARG 76 HB2 ARG 76 -6.127 4.059 -2.697 657 HB3 ARG 76 HB3 ARG 76 -7.006 5.381 -1.942 658 HG2 ARG 76 HG2 ARG 76 -5.101 6.879 -2.532 659 HG3 ARG 76 HG3 ARG 76 -4.412 5.539 -3.451 660 HD2 ARG 76 HD2 ARG 76 -6.279 5.497 -4.931 661 HD3 ARG 76 HD3 ARG 76 -7.180 6.626 -3.919 662 HE ARG 76 HE ARG 76 -5.068 8.105 -4.546 663 HH11 ARG 76 HH11 ARG 76 -7.070 6.067 -6.562 664 HH12 ARG 76 HH12 ARG 76 -6.852 7.041 -7.985 665 HH21 ARG 76 HH21 ARG 76 -4.748 9.383 -6.411 666 HH22 ARG 76 HH22 ARG 76 -5.523 8.928 -7.904 667 H ASN 77 H ASN 77 -6.448 2.621 -0.109 668 HA ASN 77 HA ASN 77 -8.496 3.786 1.460 669 HB2 ASN 77 HB2 ASN 77 -8.365 1.388 0.448 670 HB3 ASN 77 HB3 ASN 77 -7.502 0.986 1.930 671 HD21 ASN 77 HD21 ASN 77 -9.975 -0.107 1.124 672 HD22 ASN 77 HD22 ASN 77 -11.177 0.366 2.275 673 H ALA 78 H ALA 78 -5.311 2.459 2.213 674 HA ALA 78 HA ALA 78 -5.439 2.623 5.009 675 HB1 ALA 78 HB1 ALA 78 -3.669 1.420 3.840 676 HB2 ALA 78 HB2 ALA 78 -2.994 2.617 4.946 677 HB3 ALA 78 HB3 ALA 78 -3.037 2.944 3.214 678 H PHE 79 H PHE 79 -4.234 4.986 2.630 679 HA PHE 79 HA PHE 79 -3.644 7.023 4.488 680 HB2 PHE 79 HB2 PHE 79 -4.232 7.055 1.536 681 HB3 PHE 79 HB3 PHE 79 -3.975 8.548 2.428 682 HD1 PHE 79 HD1 PHE 79 -1.784 8.393 4.015 683 HD2 PHE 79 HD2 PHE 79 -2.432 6.245 0.401 684 HE1 PHE 79 HE1 PHE 79 0.647 8.164 3.721 685 HE2 PHE 79 HE2 PHE 79 -0.003 6.008 0.103 686 HZ PHE 79 HZ PHE 79 1.541 6.968 1.764 687 H ASP 80 H ASP 80 -6.534 6.402 2.527 688 HA ASP 80 HA ASP 80 -7.962 8.702 3.288 689 HB2 ASP 80 HB2 ASP 80 -8.606 7.387 1.345 690 HB3 ASP 80 HB3 ASP 80 -8.982 6.005 2.370 691 H ASP 81 H ASP 81 -7.795 5.473 4.689 692 HA ASP 81 HA ASP 81 -9.820 5.815 6.627 693 HB2 ASP 81 HB2 ASP 81 -8.810 3.626 5.926 694 HB3 ASP 81 HB3 ASP 81 -7.366 4.057 6.836 695 H ALA 82 H ALA 82 -6.297 6.235 6.763 696 HA ALA 82 HA ALA 82 -6.078 7.131 9.409 697 HB1 ALA 82 HB1 ALA 82 -3.961 8.113 8.735 698 HB2 ALA 82 HB2 ALA 82 -4.412 7.964 7.037 699 HB3 ALA 82 HB3 ALA 82 -4.154 6.517 8.011 700 H ILE 83 H ILE 83 -6.472 8.972 6.391 701 HA ILE 83 HA ILE 83 -6.672 11.545 7.459 702 HB ILE 83 HB ILE 83 -7.943 10.314 5.014 703 HG12 ILE 83 HG12 ILE 83 -5.630 12.242 5.303 704 HG13 ILE 83 HG13 ILE 83 -5.473 10.507 5.050 705 HG21 ILE 83 HG21 ILE 83 -8.463 12.565 4.230 706 HG22 ILE 83 HG22 ILE 83 -7.917 13.236 5.767 707 HG23 ILE 83 HG23 ILE 83 -9.335 12.184 5.715 708 HD11 ILE 83 HD11 ILE 83 -6.749 12.456 3.146 709 HD12 ILE 83 HD12 ILE 83 -6.594 10.716 2.896 710 HD13 ILE 83 HD13 ILE 83 -5.151 11.727 2.982 711 H HIS 84 H HIS 84 -9.038 8.998 7.137 712 HA HIS 84 HA HIS 84 -11.383 10.468 7.384 713 HB2 HIS 84 HB2 HIS 84 -11.062 8.041 6.690 714 HB3 HIS 84 HB3 HIS 84 -11.023 7.660 8.408 715 HD1 HIS 84 HD1 HIS 84 -13.192 6.406 8.562 716 HD2 HIS 84 HD2 HIS 84 -13.592 10.148 6.792 717 HE1 HIS 84 HE1 HIS 84 -15.671 6.792 8.343 718 HE2 HIS 84 HE2 HIS 84 -15.882 8.966 7.072 719 H GLU 85 H GLU 85 -9.348 9.022 9.903 720 HA GLU 85 HA GLU 85 -11.101 10.149 11.942 721 HB2 GLU 85 HB2 GLU 85 -8.576 8.514 12.226 722 HB3 GLU 85 HB3 GLU 85 -9.611 9.025 13.553 723 HG2 GLU 85 HG2 GLU 85 -11.473 7.741 12.503 724 HG3 GLU 85 HG3 GLU 85 -10.311 7.126 11.327 725 H GLY 86 H GLY 86 -7.911 10.613 10.556 726 HA2 GLY 86 HA2 GLY 86 -7.174 12.994 10.548 727 HA3 GLY 86 HA3 GLY 86 -7.590 13.012 12.256 728 H TYR 87 H TYR 87 -6.176 10.158 10.976 729 HA TYR 87 HA TYR 87 -3.961 10.322 12.768 730 HB2 TYR 87 HB2 TYR 87 -5.191 8.231 12.022 731 HB3 TYR 87 HB3 TYR 87 -4.352 8.382 10.485 732 HD1 TYR 87 HD1 TYR 87 -3.707 8.089 14.143 733 HD2 TYR 87 HD2 TYR 87 -2.294 7.373 10.199 734 HE1 TYR 87 HE1 TYR 87 -1.815 6.812 15.062 735 HE2 TYR 87 HE2 TYR 87 -0.392 6.100 11.106 736 HH TYR 87 HH TYR 87 -0.269 4.917 14.175 737 H VAL 88 H VAL 88 -4.498 11.004 9.399 738 HA VAL 88 HA VAL 88 -1.860 12.250 9.288 739 HB VAL 88 HB VAL 88 -1.739 10.015 8.134 740 HG11 VAL 88 HG11 VAL 88 -3.642 11.319 6.198 741 HG12 VAL 88 HG12 VAL 88 -3.959 9.900 7.199 742 HG13 VAL 88 HG13 VAL 88 -2.762 9.820 5.905 743 HG21 VAL 88 HG21 VAL 88 -0.181 11.807 7.600 744 HG22 VAL 88 HG22 VAL 88 -1.308 12.444 6.401 745 HG23 VAL 88 HG23 VAL 88 -0.566 10.862 6.161 746 H ILE 89 H ILE 89 -1.749 13.959 7.676 747 HA ILE 89 HA ILE 89 -4.183 15.455 7.710 748 HB ILE 89 HB ILE 89 -2.095 16.599 8.110 749 HG12 ILE 89 HG12 ILE 89 -2.313 18.462 6.475 750 HG13 ILE 89 HG13 ILE 89 -3.381 17.452 5.506 751 HG21 ILE 89 HG21 ILE 89 -1.340 15.796 5.310 752 HG22 ILE 89 HG22 ILE 89 -0.579 15.265 6.811 753 HG23 ILE 89 HG23 ILE 89 -0.453 16.951 6.304 754 HD11 ILE 89 HD11 ILE 89 -4.650 19.015 6.844 755 HD12 ILE 89 HD12 ILE 89 -3.898 18.398 8.315 756 HD13 ILE 89 HD13 ILE 89 -4.966 17.360 7.369 757 H LYS 90 H LYS 90 -2.259 13.904 5.143 758 HA LYS 90 HA LYS 90 -4.567 13.741 3.460 759 HB2 LYS 90 HB2 LYS 90 -3.573 14.989 1.547 760 HB3 LYS 90 HB3 LYS 90 -4.031 16.009 2.903 761 HG2 LYS 90 HG2 LYS 90 -1.778 16.318 3.553 762 HG3 LYS 90 HG3 LYS 90 -1.221 15.037 2.473 763 HD2 LYS 90 HD2 LYS 90 -1.703 16.337 0.544 764 HD3 LYS 90 HD3 LYS 90 -2.589 17.531 1.491 765 HE2 LYS 90 HE2 LYS 90 0.350 16.978 1.841 766 HE3 LYS 90 HE3 LYS 90 -0.284 18.218 0.760 767 HZ1 LYS 90 HZ1 LYS 90 -0.500 18.097 3.709 768 HZ2 LYS 90 HZ2 LYS 90 -1.474 19.113 2.776 769 HZ3 LYS 90 HZ3 LYS 90 0.211 19.305 2.758 770 H ASN 91 H ASN 91 -3.632 13.124 1.086 771 HA ASN 91 HA ASN 91 -1.701 10.965 1.595 772 HB2 ASN 91 HB2 ASN 91 -2.918 9.727 -0.250 773 HB3 ASN 91 HB3 ASN 91 -3.798 9.914 1.258 774 HD21 ASN 91 HD21 ASN 91 -5.743 9.569 0.204 775 HD22 ASN 91 HD22 ASN 91 -6.485 10.770 -0.799 776 HA PRO 92 HA PRO 92 0.558 12.619 -1.877 777 HB2 PRO 92 HB2 PRO 92 2.398 10.719 -2.126 778 HB3 PRO 92 HB3 PRO 92 2.337 11.728 -0.674 779 HG2 PRO 92 HG2 PRO 92 1.358 8.933 -1.081 780 HG3 PRO 92 HG3 PRO 92 2.202 9.633 0.311 781 HD2 PRO 92 HD2 PRO 92 -0.540 9.259 0.139 782 HD3 PRO 92 HD3 PRO 92 0.267 10.391 1.239 783 H THR 93 H THR 93 -1.766 10.462 -2.224 784 HA THR 93 HA THR 93 -0.870 9.113 -4.621 785 HB THR 93 HB THR 93 -3.260 8.235 -4.615 786 HG1 THR 93 HG1 THR 93 -4.314 9.744 -3.347 787 HG21 THR 93 HG21 THR 93 -1.548 7.762 -2.173 788 HG22 THR 93 HG22 THR 93 -1.373 6.950 -3.730 789 HG23 THR 93 HG23 THR 93 -2.824 6.694 -2.758 790 H TYR 94 H TYR 94 -1.121 12.057 -4.542 791 HA TYR 94 HA TYR 94 -3.354 12.933 -6.016 792 HB2 TYR 94 HB2 TYR 94 -1.854 14.441 -4.750 793 HB3 TYR 94 HB3 TYR 94 -0.564 14.111 -5.901 794 HD1 TYR 94 HD2 TYR 94 -3.863 15.713 -5.483 795 HD2 TYR 94 HD1 TYR 94 -0.466 15.242 -7.997 796 HE1 TYR 94 HE2 TYR 94 -4.646 17.578 -6.878 797 HE2 TYR 94 HE1 TYR 94 -1.238 17.108 -9.399 798 HH TYR 94 HH TYR 94 -3.615 19.267 -8.444 799 H LYS 95 H LYS 95 -0.120 11.881 -6.997 800 HA LYS 95 HA LYS 95 -1.159 11.568 -9.725 801 HB2 LYS 95 HB2 LYS 95 1.639 12.214 -8.800 802 HB3 LYS 95 HB3 LYS 95 1.295 11.615 -10.416 803 HG2 LYS 95 HG2 LYS 95 0.374 14.197 -9.180 804 HG3 LYS 95 HG3 LYS 95 1.466 13.977 -10.551 805 HD2 LYS 95 HD2 LYS 95 -0.396 12.943 -11.816 806 HD3 LYS 95 HD3 LYS 95 -1.475 13.292 -10.464 807 HE2 LYS 95 HE2 LYS 95 -1.820 15.041 -11.994 808 HE3 LYS 95 HE3 LYS 95 -0.781 15.723 -10.745 809 HZ1 LYS 95 HZ1 LYS 95 1.131 15.318 -12.200 810 HZ2 LYS 95 HZ2 LYS 95 0.001 16.352 -12.923 811 HZ3 LYS 95 HZ3 LYS 95 0.092 14.731 -13.405 812 H ALA 96 H ALA 96 -1.713 9.545 -9.977 813 HA ALA 96 HA ALA 96 0.230 7.459 -9.349 814 HB1 ALA 96 HB1 ALA 96 -1.467 6.035 -8.324 815 HB2 ALA 96 HB2 ALA 96 -2.662 7.322 -8.487 816 HB3 ALA 96 HB3 ALA 96 -1.278 7.534 -7.415 817 H GLU 97 H GLU 97 0.501 7.552 -11.647 818 HA GLU 97 HA GLU 97 -1.804 6.943 -13.307 819 HB2 GLU 97 HB2 GLU 97 1.090 7.313 -14.096 820 HB3 GLU 97 HB3 GLU 97 -0.280 7.224 -15.193 821 HG2 GLU 97 HG2 GLU 97 -1.200 9.259 -14.054 822 HG3 GLU 97 HG3 GLU 97 0.339 9.388 -13.204 823 H LEU 98 H LEU 98 -2.466 4.935 -13.370 824 HA LEU 98 HA LEU 98 -0.747 2.741 -12.701 825 HB2 LEU 98 HB2 LEU 98 -3.590 2.727 -13.723 826 HB3 LEU 98 HB3 LEU 98 -2.754 1.381 -12.967 827 HG LEU 98 HG LEU 98 -3.362 3.991 -11.579 828 HD11 LEU 98 HD11 LEU 98 -5.094 2.749 -10.382 829 HD12 LEU 98 HD12 LEU 98 -4.784 1.340 -11.396 830 HD13 LEU 98 HD13 LEU 98 -5.424 2.818 -12.114 831 HD21 LEU 98 HD21 LEU 98 -2.360 1.344 -10.546 832 HD22 LEU 98 HD22 LEU 98 -2.791 2.737 -9.552 833 HD23 LEU 98 HD23 LEU 98 -1.431 2.836 -10.672 834 H HIS 99 H HIS 99 0.817 2.688 -14.305 835 HA HIS 99 HA HIS 99 -0.145 1.770 -16.932 836 HB2 HIS 99 HB2 HIS 99 2.327 3.367 -16.250 837 HB3 HIS 99 HB3 HIS 99 2.075 2.596 -17.812 838 HD1 HIS 99 HD1 HIS 99 1.879 5.780 -16.427 839 HD2 HIS 99 HD2 HIS 99 -0.725 3.550 -18.781 840 HE1 HIS 99 HE1 HIS 99 0.344 7.452 -17.513 841 HE2 HIS 99 HE2 HIS 99 -1.104 6.090 -19.068 842 H ALA 100 H ALA 100 0.030 -0.358 -16.970 843 HA ALA 100 HA ALA 100 2.248 -1.681 -15.624 844 HB1 ALA 100 HB1 ALA 100 -0.052 -2.863 -17.184 845 HB2 ALA 100 HB2 ALA 100 -0.006 -2.640 -15.435 846 HB3 ALA 100 HB3 ALA 100 1.114 -3.759 -16.210 847 H SER 101 H SER 101 4.078 -1.306 -16.778 848 HA SER 101 HA SER 101 4.049 -1.659 -19.667 849 HB2 SER 101 HB2 SER 101 5.243 0.287 -18.696 850 HB3 SER 101 HB3 SER 101 6.320 -0.816 -17.843 851 HG SER 101 HG SER 101 6.780 0.153 -20.153 852 H VAL 102 H VAL 102 3.642 -3.873 -19.691 853 HA VAL 102 HA VAL 102 5.993 -5.560 -19.221 854 HB VAL 102 HB VAL 102 3.216 -6.381 -18.331 855 HG11 VAL 102 HG11 VAL 102 4.616 -8.228 -19.113 856 HG12 VAL 102 HG12 VAL 102 4.313 -8.331 -17.379 857 HG13 VAL 102 HG13 VAL 102 5.873 -7.757 -17.969 858 HG21 VAL 102 HG21 VAL 102 5.580 -5.670 -16.604 859 HG22 VAL 102 HG22 VAL 102 4.013 -6.255 -16.045 860 HG23 VAL 102 HG23 VAL 102 4.138 -4.679 -16.827 861 H LEU 103 H LEU 103 2.874 -4.994 -20.692 862 HA LEU 103 HA LEU 103 3.212 -7.297 -22.468 863 HB2 LEU 103 HB2 LEU 103 0.820 -5.552 -21.900 864 HB3 LEU 103 HB3 LEU 103 0.835 -6.851 -23.074 865 HG LEU 103 HG LEU 103 1.250 -7.186 -20.103 866 HD11 LEU 103 HD11 LEU 103 -0.963 -8.242 -20.154 867 HD12 LEU 103 HD12 LEU 103 -1.123 -7.814 -21.857 868 HD13 LEU 103 HD13 LEU 103 -1.035 -6.548 -20.634 869 HD21 LEU 103 HD21 LEU 103 1.098 -9.569 -20.568 870 HD22 LEU 103 HD22 LEU 103 2.444 -8.849 -21.455 871 HD23 LEU 103 HD23 LEU 103 0.941 -9.238 -22.293 872 H GLU 104 H GLU 104 4.324 -6.801 -24.244 873 HA GLU 104 HA GLU 104 3.346 -4.498 -25.788 874 HB2 GLU 104 HB2 GLU 104 5.542 -4.401 -26.900 875 HB3 GLU 104 HB3 GLU 104 5.669 -4.109 -25.173 876 HG2 GLU 104 HG2 GLU 104 6.701 -6.139 -24.773 877 HG3 GLU 104 HG3 GLU 104 6.118 -6.842 -26.281 878 H HIS 105 H HIS 105 2.898 -4.843 -27.947 879 HA HIS 105 HA HIS 105 3.017 -7.653 -28.818 880 HB2 HIS 105 HB2 HIS 105 0.850 -7.225 -30.051 881 HB3 HIS 105 HB3 HIS 105 0.723 -7.302 -28.301 882 HD1 HIS 105 HD1 HIS 105 0.108 -5.132 -27.048 883 HD2 HIS 105 HD2 HIS 105 0.235 -4.740 -31.191 884 HE1 HIS 105 HE1 HIS 105 -1.009 -2.937 -27.557 885 HE2 HIS 105 HE2 HIS 105 -0.746 -2.632 -30.043 886 H HIS 106 H HIS 106 3.951 -7.995 -30.688 887 HA HIS 106 HA HIS 106 4.910 -5.692 -32.205 888 HB2 HIS 106 HB2 HIS 106 5.509 -8.611 -32.741 889 HB3 HIS 106 HB3 HIS 106 6.444 -7.209 -33.247 890 HD1 HIS 106 HD1 HIS 106 6.523 -9.830 -30.861 891 HD2 HIS 106 HD2 HIS 106 7.447 -5.776 -30.747 892 HE1 HIS 106 HE1 HIS 106 8.011 -9.529 -28.855 893 HE2 HIS 106 HE2 HIS 106 8.334 -7.037 -28.664 894 H HIS 107 H HIS 107 3.398 -4.927 -33.599 895 HA HIS 107 HA HIS 107 1.723 -6.896 -34.994 896 HB2 HIS 107 HB2 HIS 107 0.072 -5.258 -35.271 897 HB3 HIS 107 HB3 HIS 107 0.712 -4.913 -33.672 898 HD1 HIS 107 HD1 HIS 107 1.824 -2.625 -33.319 899 HD2 HIS 107 HD2 HIS 107 0.688 -3.326 -37.261 900 HE1 HIS 107 HE1 HIS 107 2.027 -0.411 -34.495 901 HE2 HIS 107 HE2 HIS 107 1.148 -0.821 -36.822 902 H HIS 108 H HIS 108 1.629 -7.019 -37.195 903 HA HIS 108 HA HIS 108 3.785 -5.789 -38.686 904 HB2 HIS 108 HB2 HIS 108 1.538 -7.649 -39.478 905 HB3 HIS 108 HB3 HIS 108 2.685 -6.991 -40.638 906 HD1 HIS 108 HD1 HIS 108 5.084 -7.923 -40.600 907 HD2 HIS 108 HD2 HIS 108 2.549 -9.650 -37.788 908 HE1 HIS 108 HE1 HIS 108 6.293 -9.963 -39.756 909 HE2 HIS 108 HE2 HIS 108 4.826 -10.880 -37.922 910 H HIS 109 H HIS 109 3.652 -3.841 -39.550 911 HA HIS 109 HA HIS 109 1.017 -2.590 -39.696 912 HB2 HIS 109 HB2 HIS 109 2.201 -0.460 -39.880 913 HB3 HIS 109 HB3 HIS 109 2.751 -1.367 -38.479 914 HD1 HIS 109 HD1 HIS 109 5.198 -1.602 -38.230 915 HD2 HIS 109 HD2 HIS 109 4.117 -0.640 -42.130 916 HE1 HIS 109 HE1 HIS 109 7.357 -1.190 -39.452 917 HE2 HIS 109 HE2 HIS 109 6.683 -0.844 -41.858 918 H HIS 110 H HIS 110 0.138 -1.728 -41.496 919 HA HIS 110 HA HIS 110 1.719 -1.464 -43.891 920 HB2 HIS 110 HB2 HIS 110 -0.025 -2.606 -45.316 921 HB3 HIS 110 HB3 HIS 110 0.958 -3.676 -44.332 922 HD1 HIS 110 HD1 HIS 110 -0.229 -5.069 -42.543 923 HD2 HIS 110 HD2 HIS 110 -2.757 -2.499 -44.618 924 HE1 HIS 110 HE1 HIS 110 -2.572 -5.800 -41.968 925 HE2 HIS 110 HE2 HIS 110 -4.069 -4.344 -43.382 Start of MODEL 16 1 H1 MET 1 H1 MET 1 4.823 9.175 15.565 2 H2 MET 1 H2 MET 1 3.415 8.248 15.722 3 H3 MET 1 H3 MET 1 3.305 9.934 15.587 4 HA MET 1 HA MET 1 2.694 8.870 13.536 5 HB2 MET 1 HB2 MET 1 4.298 10.047 12.037 6 HB3 MET 1 HB3 MET 1 3.673 11.050 13.334 7 HG2 MET 1 HG2 MET 1 5.780 10.600 14.593 8 HG3 MET 1 HG3 MET 1 6.396 9.792 13.153 9 HE1 MET 1 HE1 MET 1 4.074 12.972 13.273 10 HE2 MET 1 HE2 MET 1 5.274 14.263 13.311 11 HE3 MET 1 HE3 MET 1 5.120 13.162 14.679 12 H ILE 2 H ILE 2 2.779 7.066 12.452 13 HA ILE 2 HA ILE 2 5.060 5.298 12.920 14 HB ILE 2 HB ILE 2 2.797 4.515 13.530 15 HG12 ILE 2 HG12 ILE 2 4.007 2.940 11.245 16 HG13 ILE 2 HG13 ILE 2 4.574 2.899 12.910 17 HG21 ILE 2 HG21 ILE 2 1.512 5.650 11.821 18 HG22 ILE 2 HG22 ILE 2 1.196 3.917 11.775 19 HG23 ILE 2 HG23 ILE 2 2.252 4.651 10.570 20 HD11 ILE 2 HD11 ILE 2 2.426 1.985 13.619 21 HD12 ILE 2 HD12 ILE 2 3.198 0.970 12.399 22 HD13 ILE 2 HD13 ILE 2 1.859 2.027 11.948 23 H THR 3 H THR 3 6.051 4.138 11.264 24 HA THR 3 HA THR 3 6.406 5.448 8.788 25 HB THR 3 HB THR 3 7.524 3.124 8.252 26 HG1 THR 3 HG1 THR 3 7.402 1.730 9.846 27 HG21 THR 3 HG21 THR 3 8.730 5.222 8.710 28 HG22 THR 3 HG22 THR 3 9.531 3.833 9.444 29 HG23 THR 3 HG23 THR 3 8.571 4.927 10.441 30 H PHE 4 H PHE 4 5.865 4.733 6.683 31 HA PHE 4 HA PHE 4 3.154 4.108 6.396 32 HB2 PHE 4 HB2 PHE 4 4.347 5.409 4.735 33 HB3 PHE 4 HB3 PHE 4 5.390 4.044 4.362 34 HD1 PHE 4 HD2 PHE 4 1.683 4.360 4.724 35 HD2 PHE 4 HD1 PHE 4 4.973 3.338 2.227 36 HE1 PHE 4 HE2 PHE 4 0.121 3.638 2.965 37 HE2 PHE 4 HE1 PHE 4 3.417 2.617 0.465 38 HZ PHE 4 HZ PHE 4 0.987 2.768 0.832 39 H ALA 5 H ALA 5 6.016 2.060 5.956 40 HA ALA 5 HA ALA 5 4.718 -0.188 4.908 41 HB1 ALA 5 HB1 ALA 5 7.206 -0.078 6.616 42 HB2 ALA 5 HB2 ALA 5 7.144 0.072 4.859 43 HB3 ALA 5 HB3 ALA 5 6.692 -1.448 5.632 44 H ASP 6 H ASP 6 5.709 0.462 8.254 45 HA ASP 6 HA ASP 6 4.519 -1.757 9.451 46 HB2 ASP 6 HB2 ASP 6 4.943 0.992 10.650 47 HB3 ASP 6 HB3 ASP 6 4.690 -0.495 11.553 48 H TYR 7 H TYR 7 3.251 1.493 8.834 49 HA TYR 7 HA TYR 7 0.802 1.223 10.162 50 HB2 TYR 7 HB2 TYR 7 1.567 3.399 9.407 51 HB3 TYR 7 HB3 TYR 7 1.491 2.880 7.727 52 HD1 TYR 7 HD2 TYR 7 -0.558 3.660 10.708 53 HD2 TYR 7 HD1 TYR 7 -0.548 2.965 6.510 54 HE1 TYR 7 HE2 TYR 7 -2.889 4.432 10.581 55 HE2 TYR 7 HE1 TYR 7 -2.877 3.732 6.372 56 HH TYR 7 HH TYR 7 -4.777 4.090 7.667 57 H PHE 8 H PHE 8 1.667 0.532 6.790 58 HA PHE 8 HA PHE 8 -0.880 -0.072 5.842 59 HB2 PHE 8 HB2 PHE 8 1.078 0.229 4.388 60 HB3 PHE 8 HB3 PHE 8 1.769 -1.269 4.998 61 HD1 PHE 8 HD1 PHE 8 -1.032 0.148 3.045 62 HD2 PHE 8 HD2 PHE 8 1.145 -3.359 4.095 63 HE1 PHE 8 HE1 PHE 8 -2.193 -1.101 1.273 64 HE2 PHE 8 HE2 PHE 8 -0.010 -4.611 2.319 65 HZ PHE 8 HZ PHE 8 -1.681 -3.482 0.906 66 H TYR 9 H TYR 9 1.548 -2.194 7.315 67 HA TYR 9 HA TYR 9 0.048 -4.572 7.025 68 HB2 TYR 9 HB2 TYR 9 2.495 -4.522 7.452 69 HB3 TYR 9 HB3 TYR 9 2.174 -3.954 9.089 70 HD1 TYR 9 HD1 TYR 9 1.815 -6.802 6.784 71 HD2 TYR 9 HD2 TYR 9 1.467 -5.462 10.806 72 HE1 TYR 9 HE1 TYR 9 1.575 -9.128 7.529 73 HE2 TYR 9 HE2 TYR 9 1.221 -7.787 11.566 74 HH TYR 9 HH TYR 9 0.514 -9.947 10.669 75 H GLN 10 H GLN 10 0.450 -2.330 9.750 76 HA GLN 10 HA GLN 10 -1.180 -3.705 11.575 77 HB2 GLN 10 HB2 GLN 10 0.413 -1.896 12.161 78 HB3 GLN 10 HB3 GLN 10 -0.654 -0.728 11.401 79 HG2 GLN 10 HG2 GLN 10 -1.740 -2.444 13.572 80 HG3 GLN 10 HG3 GLN 10 -0.656 -1.123 13.996 81 HE21 GLN 10 HE21 GLN 10 -1.586 0.531 11.764 82 HE22 GLN 10 HE22 GLN 10 -3.138 1.129 12.239 83 H TRP 11 H TRP 11 -1.924 -1.078 9.312 84 HA TRP 11 HA TRP 11 -4.616 -0.719 9.907 85 HB2 TRP 11 HB2 TRP 11 -3.592 0.863 8.481 86 HB3 TRP 11 HB3 TRP 11 -3.032 -0.375 7.367 87 HD1 TRP 11 HD1 TRP 11 -6.318 1.374 8.428 88 HE1 TRP 11 HE1 TRP 11 -7.955 1.265 6.438 89 HE3 TRP 11 HE3 TRP 11 -3.539 -1.510 5.250 90 HZ2 TRP 11 HZ2 TRP 11 -8.042 0.122 3.863 91 HZ3 TRP 11 HZ3 TRP 11 -4.471 -2.062 3.041 92 HH2 TRP 11 HH2 TRP 11 -6.677 -1.263 2.365 93 H TYR 12 H TYR 12 -3.132 -2.922 7.534 94 HA TYR 12 HA TYR 12 -5.538 -4.038 6.622 95 HB2 TYR 12 HB2 TYR 12 -3.663 -4.460 5.272 96 HB3 TYR 12 HB3 TYR 12 -2.698 -5.031 6.632 97 HD1 TYR 12 HD2 TYR 12 -5.946 -5.915 4.989 98 HD2 TYR 12 HD1 TYR 12 -2.292 -7.301 6.677 99 HE1 TYR 12 HE2 TYR 12 -6.606 -8.223 4.500 100 HE2 TYR 12 HE1 TYR 12 -2.944 -9.620 6.189 101 HH TYR 12 HH TYR 12 -5.537 -10.415 4.158 102 H GLU 13 H GLU 13 -3.270 -5.233 9.097 103 HA GLU 13 HA GLU 13 -4.675 -7.632 9.527 104 HB2 GLU 13 HB2 GLU 13 -2.279 -7.252 10.071 105 HB3 GLU 13 HB3 GLU 13 -2.779 -6.248 11.425 106 HG2 GLU 13 HG2 GLU 13 -3.676 -8.061 12.588 107 HG3 GLU 13 HG3 GLU 13 -3.687 -9.086 11.151 108 H VAL 14 H VAL 14 -5.067 -4.451 10.908 109 HA VAL 14 HA VAL 14 -6.781 -5.454 13.019 110 HB VAL 14 HB VAL 14 -6.060 -2.627 12.223 111 HG11 VAL 14 HG11 VAL 14 -7.071 -1.926 14.335 112 HG12 VAL 14 HG12 VAL 14 -7.617 -3.577 14.627 113 HG13 VAL 14 HG13 VAL 14 -8.267 -2.663 13.267 114 HG21 VAL 14 HG21 VAL 14 -5.167 -4.378 14.510 115 HG22 VAL 14 HG22 VAL 14 -4.757 -2.673 14.322 116 HG23 VAL 14 HG23 VAL 14 -4.190 -3.853 13.140 117 H ASN 15 H ASN 15 -7.178 -4.226 9.775 118 HA ASN 15 HA ASN 15 -10.020 -3.711 10.365 119 HB2 ASN 15 HB2 ASN 15 -8.223 -2.435 8.312 120 HB3 ASN 15 HB3 ASN 15 -9.971 -2.234 8.316 121 HD21 ASN 15 HD21 ASN 15 -6.989 -1.419 9.837 122 HD22 ASN 15 HD22 ASN 15 -7.611 -0.194 10.899 123 H LYS 16 H LYS 16 -7.880 -5.179 7.919 124 HA LYS 16 HA LYS 16 -10.306 -6.109 6.515 125 HB2 LYS 16 HB2 LYS 16 -7.558 -5.414 5.558 126 HB3 LYS 16 HB3 LYS 16 -8.527 -6.558 4.644 127 HG2 LYS 16 HG2 LYS 16 -8.756 -4.372 3.704 128 HG3 LYS 16 HG3 LYS 16 -10.287 -4.858 4.429 129 HD2 LYS 16 HD2 LYS 16 -9.747 -3.509 6.421 130 HD3 LYS 16 HD3 LYS 16 -8.244 -3.003 5.651 131 HE2 LYS 16 HE2 LYS 16 -9.958 -1.291 5.431 132 HE3 LYS 16 HE3 LYS 16 -9.511 -1.943 3.856 133 HZ1 LYS 16 HZ1 LYS 16 -11.947 -1.621 4.251 134 HZ2 LYS 16 HZ2 LYS 16 -11.877 -2.888 5.379 135 HZ3 LYS 16 HZ3 LYS 16 -11.503 -3.180 3.750 136 H LEU 17 H LEU 17 -7.756 -7.195 8.424 137 HA LEU 17 HA LEU 17 -6.822 -9.494 7.274 138 HB2 LEU 17 HB2 LEU 17 -6.035 -8.485 9.399 139 HB3 LEU 17 HB3 LEU 17 -7.427 -9.182 10.207 140 HG LEU 17 HG LEU 17 -6.521 -11.437 9.274 141 HD11 LEU 17 HD11 LEU 17 -4.823 -10.419 7.829 142 HD12 LEU 17 HD12 LEU 17 -4.116 -11.511 9.018 143 HD13 LEU 17 HD13 LEU 17 -4.014 -9.766 9.254 144 HD21 LEU 17 HD21 LEU 17 -5.146 -11.713 11.274 145 HD22 LEU 17 HD22 LEU 17 -6.656 -10.877 11.633 146 HD23 LEU 17 HD23 LEU 17 -5.150 -9.965 11.517 147 HA PRO 18 HA PRO 18 -10.186 -12.285 9.047 148 HB2 PRO 18 HB2 PRO 18 -12.209 -11.074 10.564 149 HB3 PRO 18 HB3 PRO 18 -10.789 -11.910 11.189 150 HG2 PRO 18 HG2 PRO 18 -11.373 -9.154 11.398 151 HG3 PRO 18 HG3 PRO 18 -9.858 -9.961 11.839 152 HD2 PRO 18 HD2 PRO 18 -10.541 -8.411 9.409 153 HD3 PRO 18 HD3 PRO 18 -8.967 -8.659 10.192 154 H HIS 19 H HIS 19 -10.691 -9.978 6.965 155 HA HIS 19 HA HIS 19 -13.474 -10.768 6.384 156 HB2 HIS 19 HB2 HIS 19 -12.181 -8.118 5.708 157 HB3 HIS 19 HB3 HIS 19 -13.851 -8.572 5.398 158 HD2 HIS 19 HD2 HIS 19 -11.590 -7.306 8.242 159 HE1 HIS 19 HE1 HIS 19 -15.525 -7.652 9.741 160 HE2 HIS 19 HE2 HIS 19 -13.141 -6.991 10.293 161 H VAL 20 H VAL 20 -10.389 -11.205 5.450 162 HA VAL 20 HA VAL 20 -11.154 -11.487 2.625 163 HB VAL 20 HB VAL 20 -8.893 -10.894 1.927 164 HG11 VAL 20 HG11 VAL 20 -8.960 -8.495 2.432 165 HG12 VAL 20 HG12 VAL 20 -10.142 -8.801 3.706 166 HG13 VAL 20 HG13 VAL 20 -10.556 -9.123 2.022 167 HG21 VAL 20 HG21 VAL 20 -7.660 -11.606 3.892 168 HG22 VAL 20 HG22 VAL 20 -8.393 -10.314 4.844 169 HG23 VAL 20 HG23 VAL 20 -7.297 -9.921 3.520 170 H SER 21 H SER 21 -10.157 -13.176 1.482 171 HA SER 21 HA SER 21 -9.505 -15.466 3.140 172 HB2 SER 21 HB2 SER 21 -9.534 -16.599 0.813 173 HB3 SER 21 HB3 SER 21 -11.059 -15.996 1.462 174 HG SER 21 HG SER 21 -11.169 -14.930 -0.340 175 H GLU 22 H GLU 22 -7.847 -16.990 1.969 176 HA GLU 22 HA GLU 22 -5.362 -15.918 2.604 177 HB2 GLU 22 HB2 GLU 22 -6.180 -18.360 2.494 178 HB3 GLU 22 HB3 GLU 22 -5.697 -18.295 0.805 179 HG2 GLU 22 HG2 GLU 22 -3.434 -17.800 1.419 180 HG3 GLU 22 HG3 GLU 22 -3.892 -17.685 3.119 181 H SER 23 H SER 23 -7.009 -16.119 -0.484 182 HA SER 23 HA SER 23 -4.811 -15.561 -2.147 183 HB2 SER 23 HB2 SER 23 -6.618 -14.702 -3.730 184 HB3 SER 23 HB3 SER 23 -6.804 -16.366 -3.172 185 HG SER 23 HG SER 23 -8.593 -14.514 -3.018 186 H THR 24 H THR 24 -7.241 -13.413 -0.690 187 HA THR 24 HA THR 24 -6.036 -11.020 -1.622 188 HB THR 24 HB THR 24 -7.841 -11.248 0.779 189 HG1 THR 24 HG1 THR 24 -9.111 -10.737 -1.585 190 HG21 THR 24 HG21 THR 24 -7.496 -9.103 -1.323 191 HG22 THR 24 HG22 THR 24 -6.879 -9.037 0.328 192 HG23 THR 24 HG23 THR 24 -8.619 -9.045 0.038 193 H LYS 25 H LYS 25 -5.696 -12.978 1.274 194 HA LYS 25 HA LYS 25 -4.237 -11.234 2.887 195 HB2 LYS 25 HB2 LYS 25 -4.153 -14.230 2.590 196 HB3 LYS 25 HB3 LYS 25 -3.135 -13.388 3.748 197 HG2 LYS 25 HG2 LYS 25 -5.153 -12.445 4.795 198 HG3 LYS 25 HG3 LYS 25 -6.143 -13.380 3.671 199 HD2 LYS 25 HD2 LYS 25 -5.500 -15.419 4.617 200 HD3 LYS 25 HD3 LYS 25 -4.095 -14.706 5.417 201 HE2 LYS 25 HE2 LYS 25 -6.989 -14.200 6.109 202 HE3 LYS 25 HE3 LYS 25 -5.859 -15.196 7.028 203 HZ1 LYS 25 HZ1 LYS 25 -4.461 -13.088 7.159 204 HZ2 LYS 25 HZ2 LYS 25 -5.853 -13.175 8.123 205 HZ3 LYS 25 HZ3 LYS 25 -5.871 -12.267 6.691 206 H ARG 26 H ARG 26 -3.041 -13.578 0.495 207 HA ARG 26 HA ARG 26 -0.339 -12.799 0.768 208 HB2 ARG 26 HB2 ARG 26 -1.770 -14.302 -1.414 209 HB3 ARG 26 HB3 ARG 26 -0.034 -14.018 -1.421 210 HG2 ARG 26 HG2 ARG 26 0.098 -15.157 0.788 211 HG3 ARG 26 HG3 ARG 26 -1.612 -15.561 0.623 212 HD2 ARG 26 HD2 ARG 26 0.544 -16.356 -1.328 213 HD3 ARG 26 HD3 ARG 26 -0.096 -17.395 -0.055 214 HE ARG 26 HE ARG 26 -1.973 -16.297 -2.022 215 HH11 ARG 26 HH11 ARG 26 -0.157 -19.028 -0.800 216 HH12 ARG 26 HH12 ARG 26 -1.119 -20.215 -1.622 217 HH21 ARG 26 HH21 ARG 26 -3.244 -17.848 -3.130 218 HH22 ARG 26 HH22 ARG 26 -2.861 -19.539 -2.976 219 H HIS 27 H HIS 27 -2.958 -11.582 -1.236 220 HA HIS 27 HA HIS 27 -1.499 -9.932 -2.953 221 HB2 HIS 27 HB2 HIS 27 -4.223 -9.782 -1.750 222 HB3 HIS 27 HB3 HIS 27 -3.576 -8.317 -2.473 223 HD2 HIS 27 HD2 HIS 27 -5.287 -11.569 -3.483 224 HE1 HIS 27 HE1 HIS 27 -4.034 -9.598 -7.011 225 HE2 HIS 27 HE2 HIS 27 -5.667 -11.275 -6.037 226 H TYR 28 H TYR 28 -2.739 -9.240 0.309 227 HA TYR 28 HA TYR 28 -1.562 -6.685 0.528 228 HB2 TYR 28 HB2 TYR 28 -2.691 -8.638 2.499 229 HB3 TYR 28 HB3 TYR 28 -1.829 -7.214 3.073 230 HD1 TYR 28 HD2 TYR 28 -2.745 -4.986 2.738 231 HD2 TYR 28 HD1 TYR 28 -4.865 -8.435 1.434 232 HE1 TYR 28 HE2 TYR 28 -4.790 -3.641 2.530 233 HE2 TYR 28 HE1 TYR 28 -6.917 -7.099 1.221 234 HH TYR 28 HH TYR 28 -6.926 -3.702 1.319 235 H GLU 29 H GLU 29 -0.432 -9.911 1.495 236 HA GLU 29 HA GLU 29 1.891 -9.012 2.821 237 HB2 GLU 29 HB2 GLU 29 1.266 -11.654 1.507 238 HB3 GLU 29 HB3 GLU 29 2.731 -11.352 2.434 239 HG2 GLU 29 HG2 GLU 29 1.265 -10.734 4.368 240 HG3 GLU 29 HG3 GLU 29 -0.105 -11.312 3.421 241 H SER 30 H SER 30 1.278 -9.849 -0.558 242 HA SER 30 HA SER 30 3.952 -9.524 -1.440 243 HB2 SER 30 HB2 SER 30 1.370 -9.182 -2.990 244 HB3 SER 30 HB3 SER 30 2.976 -9.354 -3.698 245 HG SER 30 HG SER 30 1.487 -11.257 -2.224 246 H ALA 31 H ALA 31 1.193 -7.331 -1.204 247 HA ALA 31 HA ALA 31 2.409 -5.057 -2.315 248 HB1 ALA 31 HB1 ALA 31 0.667 -3.793 -1.138 249 HB2 ALA 31 HB2 ALA 31 0.266 -5.229 -0.196 250 HB3 ALA 31 HB3 ALA 31 0.004 -5.218 -1.941 251 H TYR 32 H TYR 32 2.146 -6.152 1.054 252 HA TYR 32 HA TYR 32 3.434 -3.999 2.263 253 HB2 TYR 32 HB2 TYR 32 2.170 -5.571 3.581 254 HB3 TYR 32 HB3 TYR 32 3.245 -6.889 3.129 255 HD1 TYR 32 HD2 TYR 32 3.689 -3.449 4.550 256 HD2 TYR 32 HD1 TYR 32 4.582 -7.600 4.867 257 HE1 TYR 32 HE2 TYR 32 5.083 -2.995 6.522 258 HE2 TYR 32 HE1 TYR 32 5.985 -7.150 6.834 259 HH TYR 32 HH TYR 32 5.907 -4.247 8.526 260 H LYS 33 H LYS 33 4.824 -6.995 0.926 261 HA LYS 33 HA LYS 33 7.417 -6.431 1.940 262 HB2 LYS 33 HB2 LYS 33 8.222 -8.266 0.626 263 HB3 LYS 33 HB3 LYS 33 6.678 -8.717 1.331 264 HG2 LYS 33 HG2 LYS 33 5.569 -8.365 -0.790 265 HG3 LYS 33 HG3 LYS 33 7.079 -7.798 -1.510 266 HD2 LYS 33 HD2 LYS 33 8.093 -9.994 -1.082 267 HD3 LYS 33 HD3 LYS 33 6.571 -10.554 -0.390 268 HE2 LYS 33 HE2 LYS 33 6.749 -11.341 -2.656 269 HE3 LYS 33 HE3 LYS 33 5.472 -10.131 -2.559 270 HZ1 LYS 33 HZ1 LYS 33 8.239 -9.623 -3.533 271 HZ2 LYS 33 HZ2 LYS 33 6.971 -8.503 -3.489 272 HZ3 LYS 33 HZ3 LYS 33 6.876 -9.844 -4.517 273 H HIS 34 H HIS 34 5.764 -5.583 -1.049 274 HA HIS 34 HA HIS 34 8.145 -4.536 -2.284 275 HB2 HIS 34 HB2 HIS 34 5.220 -4.373 -2.962 276 HB3 HIS 34 HB3 HIS 34 6.403 -3.399 -3.823 277 HD1 HIS 34 HD1 HIS 34 8.486 -4.991 -4.866 278 HD2 HIS 34 HD2 HIS 34 4.791 -6.752 -4.108 279 HE1 HIS 34 HE1 HIS 34 8.403 -7.109 -6.251 280 H ILE 35 H ILE 35 5.490 -3.254 -0.372 281 HA ILE 35 HA ILE 35 6.210 -0.528 -0.562 282 HB ILE 35 HB ILE 35 4.716 -2.043 1.581 283 HG12 ILE 35 HG12 ILE 35 3.793 -0.104 -0.555 284 HG13 ILE 35 HG13 ILE 35 3.620 -1.854 -0.624 285 HG21 ILE 35 HG21 ILE 35 5.108 0.937 1.347 286 HG22 ILE 35 HG22 ILE 35 5.782 -0.104 2.600 287 HG23 ILE 35 HG23 ILE 35 4.037 0.127 2.488 288 HD11 ILE 35 HD11 ILE 35 2.334 -0.034 1.399 289 HD12 ILE 35 HD12 ILE 35 2.146 -1.786 1.319 290 HD13 ILE 35 HD13 ILE 35 1.539 -0.772 0.009 291 H LYS 36 H LYS 36 6.961 -3.010 1.858 292 HA LYS 36 HA LYS 36 8.621 -1.441 3.494 293 HB2 LYS 36 HB2 LYS 36 7.633 -3.605 4.154 294 HB3 LYS 36 HB3 LYS 36 8.683 -4.428 3.011 295 HG2 LYS 36 HG2 LYS 36 10.638 -3.691 4.283 296 HG3 LYS 36 HG3 LYS 36 9.578 -2.874 5.432 297 HD2 LYS 36 HD2 LYS 36 10.247 -5.025 6.322 298 HD3 LYS 36 HD3 LYS 36 8.522 -5.042 5.959 299 HE2 LYS 36 HE2 LYS 36 9.454 -7.113 5.208 300 HE3 LYS 36 HE3 LYS 36 9.066 -6.147 3.786 301 HZ1 LYS 36 HZ1 LYS 36 11.418 -5.482 3.689 302 HZ2 LYS 36 HZ2 LYS 36 11.208 -7.157 3.519 303 HZ3 LYS 36 HZ3 LYS 36 11.752 -6.518 4.990 304 H ASP 37 H ASP 37 9.212 -3.130 0.516 305 HA ASP 37 HA ASP 37 12.037 -3.142 0.597 306 HB2 ASP 37 HB2 ASP 37 11.028 -4.600 -0.960 307 HB3 ASP 37 HB3 ASP 37 10.022 -3.320 -1.631 308 H HIS 38 H HIS 38 9.700 -0.843 -0.764 309 HA HIS 38 HA HIS 38 11.841 0.893 -1.684 310 HB2 HIS 38 HB2 HIS 38 8.835 1.161 -1.826 311 HB3 HIS 38 HB3 HIS 38 9.955 2.359 -2.461 312 HD1 HIS 38 HD1 HIS 38 8.414 -0.924 -3.217 313 HD2 HIS 38 HD2 HIS 38 11.384 1.525 -4.790 314 HE1 HIS 38 HE1 HIS 38 8.771 -1.715 -5.575 315 HE2 HIS 38 HE2 HIS 38 10.713 -0.369 -6.427 316 H PHE 39 H PHE 39 9.248 0.956 0.724 317 HA PHE 39 HA PHE 39 10.474 3.364 1.897 318 HB2 PHE 39 HB2 PHE 39 7.622 2.422 2.256 319 HB3 PHE 39 HB3 PHE 39 8.305 3.956 2.779 320 HD1 PHE 39 HD2 PHE 39 9.163 5.536 0.942 321 HD2 PHE 39 HD1 PHE 39 6.581 2.238 0.200 322 HE1 PHE 39 HE2 PHE 39 8.477 6.556 -1.189 323 HE2 PHE 39 HE1 PHE 39 5.895 3.248 -1.935 324 HZ PHE 39 HZ PHE 39 6.841 5.412 -2.632 325 H ARG 40 H ARG 40 11.856 2.516 3.360 326 HA ARG 40 HA ARG 40 11.032 0.225 4.963 327 HB2 ARG 40 HB2 ARG 40 13.679 1.683 4.844 328 HB3 ARG 40 HB3 ARG 40 13.367 0.189 5.719 329 HG2 ARG 40 HG2 ARG 40 12.890 -0.952 3.620 330 HG3 ARG 40 HG3 ARG 40 13.161 0.548 2.735 331 HD2 ARG 40 HD2 ARG 40 15.196 -0.945 4.381 332 HD3 ARG 40 HD3 ARG 40 15.114 -0.894 2.621 333 HE ARG 40 HE ARG 40 15.651 1.483 4.300 334 HH11 ARG 40 HH11 ARG 40 16.206 -0.442 1.405 335 HH12 ARG 40 HH12 ARG 40 17.438 0.627 0.800 336 HH21 ARG 40 HH21 ARG 40 17.273 2.858 3.498 337 HH22 ARG 40 HH22 ARG 40 18.044 2.501 1.976 338 H HIS 41 H HIS 41 12.215 3.542 5.437 339 HA HIS 41 HA HIS 41 10.907 3.514 8.067 340 HB2 HIS 41 HB2 HIS 41 13.729 4.255 7.432 341 HB3 HIS 41 HB3 HIS 41 12.888 5.140 8.704 342 HD1 HIS 41 HD1 HIS 41 15.324 3.260 9.269 343 HD2 HIS 41 HD2 HIS 41 11.322 2.189 9.650 344 HE1 HIS 41 HE1 HIS 41 15.278 1.350 10.910 345 HE2 HIS 41 HE2 HIS 41 12.830 0.884 11.295 346 H LYS 42 H LYS 42 10.061 4.539 5.482 347 HA LYS 42 HA LYS 42 10.059 7.415 5.889 348 HB2 LYS 42 HB2 LYS 42 9.598 5.696 3.663 349 HB3 LYS 42 HB3 LYS 42 8.121 6.610 3.947 350 HG2 LYS 42 HG2 LYS 42 9.389 7.876 2.420 351 HG3 LYS 42 HG3 LYS 42 9.560 8.686 3.979 352 HD2 LYS 42 HD2 LYS 42 11.708 7.441 4.291 353 HD3 LYS 42 HD3 LYS 42 11.549 6.868 2.628 354 HE2 LYS 42 HE2 LYS 42 12.916 8.724 2.392 355 HE3 LYS 42 HE3 LYS 42 11.313 9.373 2.045 356 HZ1 LYS 42 HZ1 LYS 42 12.635 10.788 3.539 357 HZ2 LYS 42 HZ2 LYS 42 12.643 9.543 4.692 358 HZ3 LYS 42 HZ3 LYS 42 11.179 10.272 4.240 359 H LEU 43 H LEU 43 8.569 8.461 7.024 360 HA LEU 43 HA LEU 43 6.561 7.147 8.495 361 HB2 LEU 43 HB2 LEU 43 6.798 10.077 7.795 362 HB3 LEU 43 HB3 LEU 43 5.768 9.413 9.047 363 HG LEU 43 HG LEU 43 8.782 9.262 9.051 364 HD11 LEU 43 HD11 LEU 43 6.910 11.054 10.593 365 HD12 LEU 43 HD12 LEU 43 7.992 11.558 9.293 366 HD13 LEU 43 HD13 LEU 43 8.658 10.951 10.811 367 HD21 LEU 43 HD21 LEU 43 7.693 7.428 10.248 368 HD22 LEU 43 HD22 LEU 43 6.747 8.594 11.173 369 HD23 LEU 43 HD23 LEU 43 8.501 8.536 11.358 370 H LEU 44 H LEU 44 4.257 7.410 8.347 371 HA LEU 44 HA LEU 44 3.119 6.874 5.876 372 HB2 LEU 44 HB2 LEU 44 2.045 6.432 8.050 373 HB3 LEU 44 HB3 LEU 44 1.810 8.155 8.278 374 HG LEU 44 HG LEU 44 0.366 8.153 6.226 375 HD11 LEU 44 HD11 LEU 44 0.616 5.167 6.529 376 HD12 LEU 44 HD12 LEU 44 1.214 6.135 5.182 377 HD13 LEU 44 HD13 LEU 44 -0.521 6.001 5.470 378 HD21 LEU 44 HD21 LEU 44 -0.600 8.135 8.458 379 HD22 LEU 44 HD22 LEU 44 -0.492 6.375 8.503 380 HD23 LEU 44 HD23 LEU 44 -1.567 7.164 7.348 381 H LYS 45 H LYS 45 3.493 9.956 7.549 382 HA LYS 45 HA LYS 45 2.126 11.405 5.445 383 HB2 LYS 45 HB2 LYS 45 2.594 13.388 6.878 384 HB3 LYS 45 HB3 LYS 45 1.701 12.117 7.699 385 HG2 LYS 45 HG2 LYS 45 3.744 11.380 8.807 386 HG3 LYS 45 HG3 LYS 45 4.657 12.633 7.965 387 HD2 LYS 45 HD2 LYS 45 2.373 13.126 9.877 388 HD3 LYS 45 HD3 LYS 45 4.086 13.277 10.275 389 HE2 LYS 45 HE2 LYS 45 4.329 15.023 8.591 390 HE3 LYS 45 HE3 LYS 45 2.626 14.867 8.165 391 HZ1 LYS 45 HZ1 LYS 45 2.091 15.506 10.484 392 HZ2 LYS 45 HZ2 LYS 45 2.891 16.720 9.617 393 HZ3 LYS 45 HZ3 LYS 45 3.740 15.799 10.756 394 H ASP 46 H ASP 46 5.178 10.209 5.780 395 HA ASP 46 HA ASP 46 6.557 12.541 4.686 396 HB2 ASP 46 HB2 ASP 46 7.557 11.034 6.507 397 HB3 ASP 46 HB3 ASP 46 7.794 9.840 5.234 398 H ILE 47 H ILE 47 4.932 9.785 3.647 399 HA ILE 47 HA ILE 47 6.380 9.062 1.351 400 HB ILE 47 HB ILE 47 3.391 8.894 1.780 401 HG12 ILE 47 HG12 ILE 47 4.610 7.759 3.563 402 HG13 ILE 47 HG13 ILE 47 3.843 6.579 2.506 403 HG21 ILE 47 HG21 ILE 47 5.186 7.366 -0.107 404 HG22 ILE 47 HG22 ILE 47 4.048 8.633 -0.566 405 HG23 ILE 47 HG23 ILE 47 3.452 7.115 0.106 406 HD11 ILE 47 HD11 ILE 47 5.991 6.194 1.396 407 HD12 ILE 47 HD12 ILE 47 6.070 5.864 3.127 408 HD13 ILE 47 HD13 ILE 47 6.751 7.357 2.482 409 H LYS 48 H LYS 48 6.967 10.519 -0.113 410 HA LYS 48 HA LYS 48 5.352 12.788 -0.783 411 HB2 LYS 48 HB2 LYS 48 7.808 11.699 -2.176 412 HB3 LYS 48 HB3 LYS 48 7.099 13.289 -2.425 413 HG2 LYS 48 HG2 LYS 48 8.378 12.272 0.104 414 HG3 LYS 48 HG3 LYS 48 9.053 13.455 -1.016 415 HD2 LYS 48 HD2 LYS 48 6.495 13.818 0.544 416 HD3 LYS 48 HD3 LYS 48 8.062 14.480 1.010 417 HE2 LYS 48 HE2 LYS 48 8.130 15.770 -1.068 418 HE3 LYS 48 HE3 LYS 48 6.569 15.098 -1.540 419 HZ1 LYS 48 HZ1 LYS 48 5.534 16.178 0.316 420 HZ2 LYS 48 HZ2 LYS 48 6.414 17.337 -0.554 421 HZ3 LYS 48 HZ3 LYS 48 7.028 16.725 0.900 422 H ARG 49 H ARG 49 4.034 13.063 -2.511 423 HA ARG 49 HA ARG 49 2.885 10.779 -3.690 424 HB2 ARG 49 HB2 ARG 49 1.667 12.404 -5.138 425 HB3 ARG 49 HB3 ARG 49 1.551 12.743 -3.417 426 HG2 ARG 49 HG2 ARG 49 3.368 14.427 -3.707 427 HG3 ARG 49 HG3 ARG 49 3.253 14.162 -5.449 428 HD2 ARG 49 HD2 ARG 49 0.925 14.846 -5.421 429 HD3 ARG 49 HD3 ARG 49 0.983 15.043 -3.671 430 HE ARG 49 HE ARG 49 2.758 16.651 -5.371 431 HH11 ARG 49 HH11 ARG 49 0.112 16.418 -3.111 432 HH12 ARG 49 HH12 ARG 49 0.018 18.126 -2.814 433 HH21 ARG 49 HH21 ARG 49 2.661 18.913 -5.000 434 HH22 ARG 49 HH22 ARG 49 1.478 19.550 -3.888 435 H THR 50 H THR 50 5.465 12.885 -4.727 436 HA THR 50 HA THR 50 5.613 11.998 -7.410 437 HB THR 50 HB THR 50 8.068 12.719 -7.179 438 HG1 THR 50 HG1 THR 50 8.740 13.270 -5.252 439 HG21 THR 50 HG21 THR 50 7.473 15.101 -7.174 440 HG22 THR 50 HG22 THR 50 5.878 14.696 -6.539 441 HG23 THR 50 HG23 THR 50 6.350 14.153 -8.149 442 H GLU 51 H GLU 51 7.178 10.911 -4.428 443 HA GLU 51 HA GLU 51 8.697 8.841 -5.654 444 HB2 GLU 51 HB2 GLU 51 7.895 9.228 -2.766 445 HB3 GLU 51 HB3 GLU 51 9.093 8.075 -3.336 446 HG2 GLU 51 HG2 GLU 51 9.269 11.066 -3.616 447 HG3 GLU 51 HG3 GLU 51 10.113 10.094 -2.412 448 H TYR 52 H TYR 52 5.521 9.056 -4.218 449 HA TYR 52 HA TYR 52 4.873 6.337 -4.089 450 HB2 TYR 52 HB2 TYR 52 3.458 8.069 -3.105 451 HB3 TYR 52 HB3 TYR 52 3.105 8.716 -4.702 452 HD1 TYR 52 HD1 TYR 52 2.873 5.450 -2.886 453 HD2 TYR 52 HD2 TYR 52 1.078 8.162 -5.628 454 HE1 TYR 52 HE1 TYR 52 0.901 3.990 -3.033 455 HE2 TYR 52 HE2 TYR 52 -0.897 6.705 -5.785 456 HH TYR 52 HH TYR 52 -1.535 4.402 -5.410 457 H GLN 53 H GLN 53 4.777 8.638 -6.750 458 HA GLN 53 HA GLN 53 3.589 6.930 -8.656 459 HB2 GLN 53 HB2 GLN 53 3.765 9.390 -8.898 460 HB3 GLN 53 HB3 GLN 53 5.499 9.224 -9.133 461 HG2 GLN 53 HG2 GLN 53 4.328 9.525 -11.245 462 HG3 GLN 53 HG3 GLN 53 5.125 7.954 -11.168 463 HE21 GLN 53 HE21 GLN 53 3.892 6.098 -11.109 464 HE22 GLN 53 HE22 GLN 53 2.191 6.097 -11.434 465 H LYS 54 H LYS 54 6.962 7.470 -7.707 466 HA LYS 54 HA LYS 54 8.206 5.887 -9.667 467 HB2 LYS 54 HB2 LYS 54 8.949 6.661 -6.866 468 HB3 LYS 54 HB3 LYS 54 9.895 5.437 -7.695 469 HG2 LYS 54 HG2 LYS 54 10.985 7.533 -7.959 470 HG3 LYS 54 HG3 LYS 54 10.303 7.073 -9.518 471 HD2 LYS 54 HD2 LYS 54 8.501 8.613 -9.266 472 HD3 LYS 54 HD3 LYS 54 8.937 8.936 -7.588 473 HE2 LYS 54 HE2 LYS 54 10.591 9.622 -10.015 474 HE3 LYS 54 HE3 LYS 54 9.641 10.755 -9.053 475 HZ1 LYS 54 HZ1 LYS 54 11.993 9.195 -8.135 476 HZ2 LYS 54 HZ2 LYS 54 11.036 10.167 -7.125 477 HZ3 LYS 54 HZ3 LYS 54 11.925 10.870 -8.390 478 H PHE 55 H PHE 55 6.895 5.066 -6.503 479 HA PHE 55 HA PHE 55 7.502 2.343 -6.434 480 HB2 PHE 55 HB2 PHE 55 6.677 3.566 -4.498 481 HB3 PHE 55 HB3 PHE 55 5.139 3.858 -5.299 482 HD1 PHE 55 HD1 PHE 55 7.321 1.024 -4.248 483 HD2 PHE 55 HD2 PHE 55 3.364 2.492 -4.784 484 HE1 PHE 55 HE1 PHE 55 6.424 -1.033 -3.241 485 HE2 PHE 55 HE2 PHE 55 2.463 0.436 -3.782 486 HZ PHE 55 HZ PHE 55 3.994 -1.332 -3.009 487 H LEU 56 H LEU 56 4.683 4.031 -7.777 488 HA LEU 56 HA LEU 56 3.320 1.686 -8.599 489 HB2 LEU 56 HB2 LEU 56 3.085 4.513 -9.629 490 HB3 LEU 56 HB3 LEU 56 1.967 3.215 -9.997 491 HG LEU 56 HG LEU 56 2.466 4.384 -7.260 492 HD11 LEU 56 HD11 LEU 56 0.206 5.277 -7.478 493 HD12 LEU 56 HD12 LEU 56 0.106 4.635 -9.118 494 HD13 LEU 56 HD13 LEU 56 1.269 5.905 -8.739 495 HD21 LEU 56 HD21 LEU 56 1.899 2.029 -7.106 496 HD22 LEU 56 HD22 LEU 56 0.517 2.270 -8.175 497 HD23 LEU 56 HD23 LEU 56 0.537 3.019 -6.579 498 H ASN 57 H ASN 57 5.503 3.916 -10.287 499 HA ASN 57 HA ASN 57 5.251 2.812 -12.855 500 HB2 ASN 57 HB2 ASN 57 7.603 4.224 -11.578 501 HB3 ASN 57 HB3 ASN 57 7.532 3.793 -13.282 502 HD21 ASN 57 HD21 ASN 57 7.808 6.389 -12.116 503 HD22 ASN 57 HD22 ASN 57 6.455 7.332 -12.661 504 H GLU 58 H GLU 58 7.574 2.120 -10.275 505 HA GLU 58 HA GLU 58 9.073 0.218 -11.740 506 HB2 GLU 58 HB2 GLU 58 9.683 1.552 -9.610 507 HB3 GLU 58 HB3 GLU 58 8.843 0.282 -8.737 508 HG2 GLU 58 HG2 GLU 58 11.018 -0.411 -10.657 509 HG3 GLU 58 HG3 GLU 58 11.410 0.175 -9.042 510 H TYR 59 H TYR 59 6.442 -0.075 -9.392 511 HA TYR 59 HA TYR 59 6.349 -2.896 -9.318 512 HB2 TYR 59 HB2 TYR 59 5.295 -1.356 -7.646 513 HB3 TYR 59 HB3 TYR 59 4.078 -0.947 -8.845 514 HD1 TYR 59 HD2 TYR 59 2.346 -2.568 -9.461 515 HD2 TYR 59 HD1 TYR 59 5.250 -3.479 -6.484 516 HE1 TYR 59 HE2 TYR 59 0.960 -4.446 -8.688 517 HE2 TYR 59 HE1 TYR 59 3.869 -5.355 -5.707 518 HH TYR 59 HH TYR 59 1.424 -5.999 -5.769 519 H GLY 60 H GLY 60 4.825 -0.498 -11.398 520 HA2 GLY 60 HA2 GLY 60 3.089 -2.395 -12.691 521 HA3 GLY 60 HA3 GLY 60 3.337 -0.718 -13.151 522 H LEU 61 H LEU 61 6.357 -1.898 -12.952 523 HA LEU 61 HA LEU 61 6.490 -2.516 -15.793 524 HB2 LEU 61 HB2 LEU 61 8.639 -2.222 -13.694 525 HB3 LEU 61 HB3 LEU 61 8.959 -2.624 -15.369 526 HG LEU 61 HG LEU 61 7.668 -0.060 -14.432 527 HD11 LEU 61 HD11 LEU 61 9.791 0.989 -15.014 528 HD12 LEU 61 HD12 LEU 61 10.479 -0.591 -15.388 529 HD13 LEU 61 HD13 LEU 61 10.002 -0.204 -13.735 530 HD21 LEU 61 HD21 LEU 61 6.976 -0.710 -16.674 531 HD22 LEU 61 HD22 LEU 61 8.663 -0.922 -17.147 532 HD23 LEU 61 HD23 LEU 61 8.057 0.683 -16.732 533 H THR 62 H THR 62 6.216 -4.144 -12.836 534 HA THR 62 HA THR 62 7.271 -6.628 -14.020 535 HB THR 62 HB THR 62 7.661 -7.347 -11.633 536 HG1 THR 62 HG1 THR 62 7.977 -5.158 -10.363 537 HG21 THR 62 HG21 THR 62 9.487 -6.601 -13.066 538 HG22 THR 62 HG22 THR 62 9.743 -6.068 -11.404 539 HG23 THR 62 HG23 THR 62 9.168 -4.925 -12.619 540 H HIS 63 H HIS 63 4.438 -5.178 -13.405 541 HA HIS 63 HA HIS 63 3.107 -7.691 -12.716 542 HB2 HIS 63 HB2 HIS 63 2.756 -5.082 -11.236 543 HB3 HIS 63 HB3 HIS 63 1.598 -6.405 -11.139 544 HD1 HIS 63 HD1 HIS 63 5.097 -5.461 -10.135 545 HD2 HIS 63 HD2 HIS 63 2.363 -8.533 -9.523 546 HE1 HIS 63 HE1 HIS 63 6.037 -6.842 -8.255 547 HE2 HIS 63 HE2 HIS 63 4.460 -8.800 -8.037 548 H SER 64 H SER 64 0.796 -7.664 -13.124 549 HA SER 64 HA SER 64 0.193 -6.270 -15.575 550 HB2 SER 64 HB2 SER 64 -0.457 -8.654 -15.144 551 HB3 SER 64 HB3 SER 64 -1.602 -8.074 -13.935 552 HG SER 64 HG SER 64 -1.740 -8.021 -16.694 553 H TYR 65 H TYR 65 -2.134 -5.326 -15.739 554 HA TYR 65 HA TYR 65 -2.037 -2.958 -14.218 555 HB2 TYR 65 HB2 TYR 65 -2.939 -2.978 -16.483 556 HB3 TYR 65 HB3 TYR 65 -4.276 -4.000 -15.959 557 HD1 TYR 65 HD2 TYR 65 -2.695 -0.704 -15.191 558 HD2 TYR 65 HD1 TYR 65 -6.283 -2.988 -15.338 559 HE1 TYR 65 HE2 TYR 65 -3.986 1.299 -14.599 560 HE2 TYR 65 HE1 TYR 65 -7.584 -0.988 -14.738 561 HH TYR 65 HH TYR 65 -6.138 2.186 -14.649 562 H GLU 66 H GLU 66 -4.128 -5.820 -13.939 563 HA GLU 66 HA GLU 66 -5.798 -4.616 -11.974 564 HB2 GLU 66 HB2 GLU 66 -5.392 -7.490 -12.773 565 HB3 GLU 66 HB3 GLU 66 -6.496 -7.012 -11.490 566 HG2 GLU 66 HG2 GLU 66 -7.355 -5.373 -13.406 567 HG3 GLU 66 HG3 GLU 66 -6.720 -6.673 -14.414 568 H THR 67 H THR 67 -2.853 -6.508 -11.834 569 HA THR 67 HA THR 67 -2.899 -7.054 -9.072 570 HB THR 67 HB THR 67 -0.438 -6.686 -10.791 571 HG1 THR 67 HG1 THR 67 -1.958 -9.066 -10.319 572 HG21 THR 67 HG21 THR 67 -0.942 -8.316 -8.295 573 HG22 THR 67 HG22 THR 67 0.030 -6.848 -8.396 574 HG23 THR 67 HG23 THR 67 0.554 -8.310 -9.229 575 H ILE 68 H ILE 68 -1.441 -4.384 -10.941 576 HA ILE 68 HA ILE 68 -0.519 -3.023 -8.611 577 HB ILE 68 HB ILE 68 0.522 -2.628 -10.802 578 HG12 ILE 68 HG12 ILE 68 -0.726 -0.140 -9.616 579 HG13 ILE 68 HG13 ILE 68 0.715 -0.949 -9.008 580 HG21 ILE 68 HG21 ILE 68 -0.568 -1.191 -12.462 581 HG22 ILE 68 HG22 ILE 68 -2.049 -1.226 -11.507 582 HG23 ILE 68 HG23 ILE 68 -1.432 -2.711 -12.231 583 HD11 ILE 68 HD11 ILE 68 0.416 0.382 -11.691 584 HD12 ILE 68 HD12 ILE 68 1.854 -0.469 -11.127 585 HD13 ILE 68 HD13 ILE 68 1.318 0.996 -10.305 586 H ARG 69 H ARG 69 -3.480 -2.947 -10.502 587 HA ARG 69 HA ARG 69 -4.720 -0.709 -9.405 588 HB2 ARG 69 HB2 ARG 69 -5.647 -2.041 -11.278 589 HB3 ARG 69 HB3 ARG 69 -6.031 -3.332 -10.147 590 HG2 ARG 69 HG2 ARG 69 -7.463 -1.660 -8.915 591 HG3 ARG 69 HG3 ARG 69 -7.234 -0.583 -10.295 592 HD2 ARG 69 HD2 ARG 69 -8.150 -2.361 -11.764 593 HD3 ARG 69 HD3 ARG 69 -8.483 -3.328 -10.327 594 HE ARG 69 HE ARG 69 -9.905 -0.950 -11.222 595 HH11 ARG 69 HH11 ARG 69 -9.423 -3.296 -8.654 596 HH12 ARG 69 HH12 ARG 69 -10.948 -2.956 -7.894 597 HH21 ARG 69 HH21 ARG 69 -11.895 -0.523 -10.250 598 HH22 ARG 69 HH22 ARG 69 -12.367 -1.379 -8.807 599 H LYS 70 H LYS 70 -4.808 -4.091 -8.251 600 HA LYS 70 HA LYS 70 -6.321 -3.703 -5.947 601 HB2 LYS 70 HB2 LYS 70 -4.324 -5.703 -6.822 602 HB3 LYS 70 HB3 LYS 70 -4.570 -5.585 -5.086 603 HG2 LYS 70 HG2 LYS 70 -6.082 -7.200 -5.641 604 HG3 LYS 70 HG3 LYS 70 -7.091 -5.756 -5.719 605 HD2 LYS 70 HD2 LYS 70 -6.814 -5.681 -8.139 606 HD3 LYS 70 HD3 LYS 70 -5.761 -7.098 -8.071 607 HE2 LYS 70 HE2 LYS 70 -7.882 -7.916 -8.682 608 HE3 LYS 70 HE3 LYS 70 -7.693 -8.308 -6.974 609 HZ1 LYS 70 HZ1 LYS 70 -8.914 -6.103 -6.601 610 HZ2 LYS 70 HZ2 LYS 70 -9.817 -7.449 -7.095 611 HZ3 LYS 70 HZ3 LYS 70 -9.393 -6.251 -8.221 612 H LEU 71 H LEU 71 -2.809 -3.559 -6.346 613 HA LEU 71 HA LEU 71 -2.050 -2.950 -3.763 614 HB2 LEU 71 HB2 LEU 71 -0.430 -3.455 -5.459 615 HB3 LEU 71 HB3 LEU 71 -0.908 -2.063 -6.409 616 HG LEU 71 HG LEU 71 -0.054 -0.607 -4.550 617 HD11 LEU 71 HD11 LEU 71 1.081 -3.215 -3.557 618 HD12 LEU 71 HD12 LEU 71 -0.119 -2.214 -2.739 619 HD13 LEU 71 HD13 LEU 71 1.523 -1.611 -2.967 620 HD21 LEU 71 HD21 LEU 71 1.901 -2.462 -5.893 621 HD22 LEU 71 HD22 LEU 71 2.292 -0.898 -5.178 622 HD23 LEU 71 HD23 LEU 71 1.221 -0.986 -6.576 623 H ASN 72 H ASN 72 -2.857 -0.684 -6.382 624 HA ASN 72 HA ASN 72 -2.502 1.673 -4.894 625 HB2 ASN 72 HB2 ASN 72 -2.595 1.620 -7.358 626 HB3 ASN 72 HB3 ASN 72 -4.302 1.193 -7.282 627 HD21 ASN 72 HD21 ASN 72 -5.809 2.760 -6.871 628 HD22 ASN 72 HD22 ASN 72 -5.414 4.442 -6.778 629 H SER 73 H SER 73 -5.323 -0.395 -5.389 630 HA SER 73 HA SER 73 -7.252 1.238 -4.180 631 HB2 SER 73 HB2 SER 73 -7.111 -1.791 -4.215 632 HB3 SER 73 HB3 SER 73 -8.547 -0.836 -3.849 633 HG SER 73 HG SER 73 -7.512 -0.003 -6.175 634 H TYR 74 H TYR 74 -5.102 -1.218 -2.777 635 HA TYR 74 HA TYR 74 -6.118 -1.054 -0.146 636 HB2 TYR 74 HB2 TYR 74 -3.286 -1.764 -0.936 637 HB3 TYR 74 HB3 TYR 74 -4.113 -2.217 0.547 638 HD1 TYR 74 HD2 TYR 74 -6.756 -3.058 -0.721 639 HD2 TYR 74 HD1 TYR 74 -2.713 -3.894 -1.745 640 HE1 TYR 74 HE2 TYR 74 -7.464 -5.160 -1.782 641 HE2 TYR 74 HE1 TYR 74 -3.410 -5.996 -2.810 642 HH TYR 74 HH TYR 74 -5.206 -7.551 -2.815 643 H ILE 75 H ILE 75 -3.404 0.561 -1.756 644 HA ILE 75 HA ILE 75 -2.466 1.966 0.500 645 HB ILE 75 HB ILE 75 -2.195 2.676 -2.428 646 HG12 ILE 75 HG12 ILE 75 -0.361 1.140 -0.571 647 HG13 ILE 75 HG13 ILE 75 -1.325 0.443 -1.867 648 HG21 ILE 75 HG21 ILE 75 -1.733 4.583 -0.975 649 HG22 ILE 75 HG22 ILE 75 -0.257 3.992 -1.738 650 HG23 ILE 75 HG23 ILE 75 -0.592 3.608 -0.049 651 HD11 ILE 75 HD11 ILE 75 0.918 2.418 -2.213 652 HD12 ILE 75 HD12 ILE 75 -0.037 1.696 -3.507 653 HD13 ILE 75 HD13 ILE 75 1.007 0.682 -2.510 654 H ARG 76 H ARG 76 -4.787 2.833 -2.035 655 HA ARG 76 HA ARG 76 -5.334 5.465 -1.301 656 HB2 ARG 76 HB2 ARG 76 -6.241 4.401 -3.329 657 HB3 ARG 76 HB3 ARG 76 -7.258 3.369 -2.334 658 HG2 ARG 76 HG2 ARG 76 -8.770 4.966 -2.891 659 HG3 ARG 76 HG3 ARG 76 -8.118 5.686 -1.417 660 HD2 ARG 76 HD2 ARG 76 -8.144 7.433 -2.981 661 HD3 ARG 76 HD3 ARG 76 -6.466 6.892 -2.933 662 HE ARG 76 HE ARG 76 -7.824 5.495 -4.959 663 HH11 ARG 76 HH11 ARG 76 -6.617 8.713 -4.245 664 HH12 ARG 76 HH12 ARG 76 -6.481 9.171 -5.917 665 HH21 ARG 76 HH21 ARG 76 -7.628 6.109 -7.160 666 HH22 ARG 76 HH22 ARG 76 -7.045 7.690 -7.559 667 H ASN 77 H ASN 77 -6.846 2.454 -0.203 668 HA ASN 77 HA ASN 77 -8.690 3.646 1.568 669 HB2 ASN 77 HB2 ASN 77 -7.569 0.857 1.347 670 HB3 ASN 77 HB3 ASN 77 -8.758 1.289 2.568 671 HD21 ASN 77 HD21 ASN 77 -10.269 3.100 0.960 672 HD22 ASN 77 HD22 ASN 77 -11.095 2.150 -0.227 673 H ALA 78 H ALA 78 -5.404 2.463 1.999 674 HA ALA 78 HA ALA 78 -5.322 2.568 4.807 675 HB1 ALA 78 HB1 ALA 78 -2.890 2.587 4.557 676 HB2 ALA 78 HB2 ALA 78 -3.069 2.930 2.835 677 HB3 ALA 78 HB3 ALA 78 -3.643 1.397 3.494 678 H PHE 79 H PHE 79 -4.217 4.957 2.399 679 HA PHE 79 HA PHE 79 -3.512 6.918 4.306 680 HB2 PHE 79 HB2 PHE 79 -4.035 6.991 1.354 681 HB3 PHE 79 HB3 PHE 79 -3.811 8.493 2.245 682 HD1 PHE 79 HD1 PHE 79 -1.694 8.417 3.876 683 HD2 PHE 79 HD2 PHE 79 -2.182 6.094 0.347 684 HE1 PHE 79 HE1 PHE 79 0.748 8.173 3.707 685 HE2 PHE 79 HE2 PHE 79 0.259 5.845 0.171 686 HZ PHE 79 HZ PHE 79 1.728 6.884 1.853 687 H ASP 80 H ASP 80 -6.494 6.340 2.480 688 HA ASP 80 HA ASP 80 -7.797 8.719 3.228 689 HB2 ASP 80 HB2 ASP 80 -8.600 7.325 1.384 690 HB3 ASP 80 HB3 ASP 80 -9.008 6.038 2.516 691 H ASP 81 H ASP 81 -7.728 5.509 4.741 692 HA ASP 81 HA ASP 81 -9.581 6.006 6.784 693 HB2 ASP 81 HB2 ASP 81 -8.516 3.779 6.190 694 HB3 ASP 81 HB3 ASP 81 -7.086 4.314 7.067 695 H ALA 82 H ALA 82 -6.099 6.610 6.608 696 HA ALA 82 HA ALA 82 -5.833 7.614 9.245 697 HB1 ALA 82 HB1 ALA 82 -3.668 8.460 8.495 698 HB2 ALA 82 HB2 ALA 82 -4.115 8.122 6.822 699 HB3 ALA 82 HB3 ALA 82 -3.929 6.797 7.969 700 H ILE 83 H ILE 83 -6.462 9.177 6.120 701 HA ILE 83 HA ILE 83 -6.247 11.816 7.141 702 HB ILE 83 HB ILE 83 -6.085 11.141 4.691 703 HG12 ILE 83 HG12 ILE 83 -7.838 13.503 5.394 704 HG13 ILE 83 HG13 ILE 83 -6.086 13.468 5.547 705 HG21 ILE 83 HG21 ILE 83 -9.081 11.373 4.872 706 HG22 ILE 83 HG22 ILE 83 -8.167 9.916 4.484 707 HG23 ILE 83 HG23 ILE 83 -8.146 11.290 3.378 708 HD11 ILE 83 HD11 ILE 83 -5.883 13.161 3.133 709 HD12 ILE 83 HD12 ILE 83 -6.768 14.632 3.534 710 HD13 ILE 83 HD13 ILE 83 -7.640 13.201 2.983 711 H HIS 84 H HIS 84 -8.883 9.514 6.956 712 HA HIS 84 HA HIS 84 -11.047 11.151 7.564 713 HB2 HIS 84 HB2 HIS 84 -10.394 8.316 8.292 714 HB3 HIS 84 HB3 HIS 84 -11.820 9.080 8.974 715 HD1 HIS 84 HD1 HIS 84 -13.544 10.063 7.052 716 HD2 HIS 84 HD2 HIS 84 -10.793 7.168 5.909 717 HE1 HIS 84 HE1 HIS 84 -14.429 9.088 4.907 718 HE2 HIS 84 HE2 HIS 84 -12.595 7.543 4.112 719 H GLU 85 H GLU 85 -8.412 10.058 9.584 720 HA GLU 85 HA GLU 85 -9.642 11.238 11.968 721 HB2 GLU 85 HB2 GLU 85 -7.069 9.687 11.621 722 HB3 GLU 85 HB3 GLU 85 -7.673 10.291 13.156 723 HG2 GLU 85 HG2 GLU 85 -9.692 8.881 12.852 724 HG3 GLU 85 HG3 GLU 85 -8.951 8.213 11.398 725 H GLY 86 H GLY 86 -7.643 12.143 9.441 726 HA2 GLY 86 HA2 GLY 86 -6.526 14.151 9.093 727 HA3 GLY 86 HA3 GLY 86 -6.845 14.582 10.770 728 H TYR 87 H TYR 87 -5.581 11.494 10.361 729 HA TYR 87 HA TYR 87 -3.268 12.108 11.899 730 HB2 TYR 87 HB2 TYR 87 -4.479 9.991 12.123 731 HB3 TYR 87 HB3 TYR 87 -4.102 9.579 10.456 732 HD1 TYR 87 HD1 TYR 87 -2.454 10.343 13.712 733 HD2 TYR 87 HD2 TYR 87 -2.240 8.293 9.996 734 HE1 TYR 87 HE1 TYR 87 -0.418 9.187 14.473 735 HE2 TYR 87 HE2 TYR 87 -0.207 7.131 10.743 736 HH TYR 87 HH TYR 87 0.750 6.919 13.858 737 H VAL 88 H VAL 88 -3.929 11.732 8.515 738 HA VAL 88 HA VAL 88 -1.092 12.265 7.952 739 HB VAL 88 HB VAL 88 -1.901 9.986 7.207 740 HG11 VAL 88 HG11 VAL 88 -3.263 9.868 5.170 741 HG12 VAL 88 HG12 VAL 88 -3.512 11.613 5.249 742 HG13 VAL 88 HG13 VAL 88 -4.147 10.574 6.524 743 HG21 VAL 88 HG21 VAL 88 -0.921 11.880 5.076 744 HG22 VAL 88 HG22 VAL 88 -0.848 10.120 4.988 745 HG23 VAL 88 HG23 VAL 88 0.072 10.979 6.224 746 H ILE 89 H ILE 89 -0.725 13.593 6.030 747 HA ILE 89 HA ILE 89 -2.597 15.756 5.796 748 HB ILE 89 HB ILE 89 -0.998 16.572 4.018 749 HG12 ILE 89 HG12 ILE 89 0.648 14.209 4.953 750 HG13 ILE 89 HG13 ILE 89 -0.124 14.345 3.376 751 HG21 ILE 89 HG21 ILE 89 0.774 17.142 5.634 752 HG22 ILE 89 HG22 ILE 89 0.092 15.965 6.758 753 HG23 ILE 89 HG23 ILE 89 -0.852 17.376 6.276 754 HD11 ILE 89 HD11 ILE 89 1.283 16.260 2.847 755 HD12 ILE 89 HD12 ILE 89 2.254 14.847 3.265 756 HD13 ILE 89 HD13 ILE 89 2.042 16.150 4.436 757 H LYS 90 H LYS 90 -2.434 16.443 3.130 758 HA LYS 90 HA LYS 90 -4.501 15.070 1.906 759 HB2 LYS 90 HB2 LYS 90 -2.273 16.715 0.700 760 HB3 LYS 90 HB3 LYS 90 -3.664 16.139 -0.215 761 HG2 LYS 90 HG2 LYS 90 -3.873 17.866 2.244 762 HG3 LYS 90 HG3 LYS 90 -3.843 18.492 0.590 763 HD2 LYS 90 HD2 LYS 90 -5.846 17.189 0.053 764 HD3 LYS 90 HD3 LYS 90 -5.872 16.544 1.695 765 HE2 LYS 90 HE2 LYS 90 -6.297 18.718 2.606 766 HE3 LYS 90 HE3 LYS 90 -6.055 19.478 1.034 767 HZ1 LYS 90 HZ1 LYS 90 -8.395 19.276 1.572 768 HZ2 LYS 90 HZ2 LYS 90 -8.254 17.595 1.729 769 HZ3 LYS 90 HZ3 LYS 90 -8.021 18.329 0.218 770 H ASN 91 H ASN 91 -4.665 13.205 0.931 771 HA ASN 91 HA ASN 91 -2.824 11.200 1.208 772 HB2 ASN 91 HB2 ASN 91 -5.127 11.454 -0.723 773 HB3 ASN 91 HB3 ASN 91 -4.211 9.965 -0.511 774 HD21 ASN 91 HD21 ASN 91 -7.045 10.614 0.030 775 HD22 ASN 91 HD22 ASN 91 -7.289 10.194 1.690 776 HA PRO 92 HA PRO 92 0.295 11.953 -1.896 777 HB2 PRO 92 HB2 PRO 92 0.866 9.087 -1.380 778 HB3 PRO 92 HB3 PRO 92 1.943 10.486 -1.295 779 HG2 PRO 92 HG2 PRO 92 1.069 9.316 0.928 780 HG3 PRO 92 HG3 PRO 92 1.223 11.079 0.826 781 HD2 PRO 92 HD2 PRO 92 -1.236 9.379 0.642 782 HD3 PRO 92 HD3 PRO 92 -0.998 10.935 1.466 783 H THR 93 H THR 93 -2.300 9.754 -2.074 784 HA THR 93 HA THR 93 -1.725 8.654 -4.644 785 HB THR 93 HB THR 93 -4.243 8.179 -4.648 786 HG1 THR 93 HG1 THR 93 -4.471 8.421 -1.963 787 HG21 THR 93 HG21 THR 93 -2.565 7.139 -2.364 788 HG22 THR 93 HG22 THR 93 -2.582 6.510 -4.012 789 HG23 THR 93 HG23 THR 93 -4.022 6.378 -3.002 790 H TYR 94 H TYR 94 -2.158 11.712 -3.759 791 HA TYR 94 HA TYR 94 -3.818 13.014 -5.515 792 HB2 TYR 94 HB2 TYR 94 -2.398 14.037 -3.736 793 HB3 TYR 94 HB3 TYR 94 -0.991 13.797 -4.760 794 HD1 TYR 94 HD2 TYR 94 -4.024 15.762 -4.225 795 HD2 TYR 94 HD1 TYR 94 -0.595 15.232 -6.688 796 HE1 TYR 94 HE2 TYR 94 -4.388 17.986 -5.202 797 HE2 TYR 94 HE1 TYR 94 -0.946 17.464 -7.665 798 HH TYR 94 HH TYR 94 -2.804 19.065 -7.995 799 H LYS 95 H LYS 95 -0.673 11.554 -6.113 800 HA LYS 95 HA LYS 95 -1.132 11.899 -8.998 801 HB2 LYS 95 HB2 LYS 95 1.505 11.926 -7.517 802 HB3 LYS 95 HB3 LYS 95 1.366 11.800 -9.263 803 HG2 LYS 95 HG2 LYS 95 0.410 14.103 -7.580 804 HG3 LYS 95 HG3 LYS 95 1.863 14.076 -8.580 805 HD2 LYS 95 HD2 LYS 95 0.446 13.714 -10.570 806 HD3 LYS 95 HD3 LYS 95 -0.987 13.829 -9.546 807 HE2 LYS 95 HE2 LYS 95 -0.267 16.108 -8.888 808 HE3 LYS 95 HE3 LYS 95 1.062 15.984 -10.039 809 HZ1 LYS 95 HZ1 LYS 95 -0.780 17.169 -11.008 810 HZ2 LYS 95 HZ2 LYS 95 -1.834 15.879 -10.687 811 HZ3 LYS 95 HZ3 LYS 95 -0.581 15.690 -11.812 812 H ALA 96 H ALA 96 -2.193 9.931 -9.153 813 HA ALA 96 HA ALA 96 -0.487 7.575 -8.692 814 HB1 ALA 96 HB1 ALA 96 -2.445 6.292 -8.015 815 HB2 ALA 96 HB2 ALA 96 -3.456 7.727 -8.189 816 HB3 ALA 96 HB3 ALA 96 -2.200 7.679 -6.952 817 H GLU 97 H GLU 97 0.120 7.643 -10.882 818 HA GLU 97 HA GLU 97 -1.999 7.014 -12.803 819 HB2 GLU 97 HB2 GLU 97 0.911 7.706 -13.211 820 HB3 GLU 97 HB3 GLU 97 -0.196 7.280 -14.510 821 HG2 GLU 97 HG2 GLU 97 -1.588 9.206 -13.960 822 HG3 GLU 97 HG3 GLU 97 -0.485 9.630 -12.652 823 H LEU 98 H LEU 98 -2.495 4.957 -12.937 824 HA LEU 98 HA LEU 98 -0.549 2.899 -12.310 825 HB2 LEU 98 HB2 LEU 98 -3.430 2.638 -13.184 826 HB3 LEU 98 HB3 LEU 98 -2.422 1.345 -12.563 827 HG LEU 98 HG LEU 98 -3.333 3.769 -11.012 828 HD11 LEU 98 HD11 LEU 98 -4.673 2.161 -9.745 829 HD12 LEU 98 HD12 LEU 98 -4.155 0.873 -10.833 830 HD13 LEU 98 HD13 LEU 98 -5.141 2.201 -11.445 831 HD21 LEU 98 HD21 LEU 98 -1.717 1.372 -10.156 832 HD22 LEU 98 HD22 LEU 98 -2.363 2.608 -9.076 833 HD23 LEU 98 HD23 LEU 98 -1.145 3.036 -10.276 834 H HIS 99 H HIS 99 0.811 3.533 -14.146 835 HA HIS 99 HA HIS 99 -0.232 2.692 -16.744 836 HB2 HIS 99 HB2 HIS 99 0.894 4.911 -16.573 837 HB3 HIS 99 HB3 HIS 99 2.381 4.085 -16.119 838 HD1 HIS 99 HD1 HIS 99 -0.047 4.205 -19.041 839 HD2 HIS 99 HD2 HIS 99 3.948 3.387 -18.223 840 HE1 HIS 99 HE1 HIS 99 1.045 3.840 -21.277 841 HE2 HIS 99 HE2 HIS 99 3.399 3.110 -20.735 842 H ALA 100 H ALA 100 -0.217 0.454 -16.171 843 HA ALA 100 HA ALA 100 2.156 -0.970 -15.596 844 HB1 ALA 100 HB1 ALA 100 0.892 -2.963 -16.268 845 HB2 ALA 100 HB2 ALA 100 -0.381 -1.934 -16.925 846 HB3 ALA 100 HB3 ALA 100 -0.053 -1.934 -15.192 847 H SER 101 H SER 101 3.846 -0.637 -16.903 848 HA SER 101 HA SER 101 3.477 0.015 -19.675 849 HB2 SER 101 HB2 SER 101 6.090 -0.482 -18.247 850 HB3 SER 101 HB3 SER 101 5.806 0.516 -19.676 851 HG SER 101 HG SER 101 4.279 1.216 -17.499 852 H VAL 102 H VAL 102 3.507 -2.845 -18.096 853 HA VAL 102 HA VAL 102 5.061 -4.473 -19.834 854 HB VAL 102 HB VAL 102 2.714 -5.271 -18.097 855 HG11 VAL 102 HG11 VAL 102 3.761 -7.496 -18.112 856 HG12 VAL 102 HG12 VAL 102 4.968 -6.904 -19.255 857 HG13 VAL 102 HG13 VAL 102 3.269 -6.976 -19.724 858 HG21 VAL 102 HG21 VAL 102 5.655 -5.202 -17.441 859 HG22 VAL 102 HG22 VAL 102 4.383 -5.852 -16.406 860 HG23 VAL 102 HG23 VAL 102 4.415 -4.130 -16.788 861 H LEU 103 H LEU 103 1.752 -3.314 -19.822 862 HA LEU 103 HA LEU 103 1.069 -5.100 -22.043 863 HB2 LEU 103 HB2 LEU 103 -0.663 -3.428 -20.224 864 HB3 LEU 103 HB3 LEU 103 -1.279 -4.327 -21.593 865 HG LEU 103 HG LEU 103 -0.324 -6.411 -20.443 866 HD11 LEU 103 HD11 LEU 103 -0.123 -6.264 -18.005 867 HD12 LEU 103 HD12 LEU 103 -0.286 -4.510 -18.102 868 HD13 LEU 103 HD13 LEU 103 1.112 -5.308 -18.825 869 HD21 LEU 103 HD21 LEU 103 -2.590 -4.914 -19.135 870 HD22 LEU 103 HD22 LEU 103 -2.311 -6.653 -19.063 871 HD23 LEU 103 HD23 LEU 103 -2.707 -5.889 -20.602 872 H GLU 104 H GLU 104 1.584 -4.209 -23.966 873 HA GLU 104 HA GLU 104 0.581 -1.489 -24.471 874 HB2 GLU 104 HB2 GLU 104 3.018 -2.014 -25.044 875 HB3 GLU 104 HB3 GLU 104 2.393 -3.070 -26.309 876 HG2 GLU 104 HG2 GLU 104 1.097 -1.045 -27.134 877 HG3 GLU 104 HG3 GLU 104 2.112 -0.094 -26.058 878 H HIS 105 H HIS 105 -1.430 -1.505 -25.277 879 HA HIS 105 HA HIS 105 -2.539 -3.815 -26.567 880 HB2 HIS 105 HB2 HIS 105 -3.838 -2.097 -25.207 881 HB3 HIS 105 HB3 HIS 105 -3.703 -1.025 -26.597 882 HD1 HIS 105 HD1 HIS 105 -5.717 -1.074 -28.016 883 HD2 HIS 105 HD2 HIS 105 -5.055 -4.730 -26.145 884 HE1 HIS 105 HE1 HIS 105 -7.621 -2.557 -28.725 885 HE2 HIS 105 HE2 HIS 105 -7.323 -4.673 -27.390 886 H HIS 106 H HIS 106 -1.132 -0.795 -27.567 887 HA HIS 106 HA HIS 106 -1.536 -1.238 -30.390 888 HB2 HIS 106 HB2 HIS 106 -1.311 1.030 -29.398 889 HB3 HIS 106 HB3 HIS 106 0.329 0.645 -28.902 890 HD1 HIS 106 HD1 HIS 106 2.128 1.219 -30.499 891 HD2 HIS 106 HD2 HIS 106 -1.611 1.166 -32.310 892 HE1 HIS 106 HE1 HIS 106 2.490 2.117 -32.820 893 HE2 HIS 106 HE2 HIS 106 0.184 2.244 -33.832 894 H HIS 107 H HIS 107 0.520 -1.416 -31.830 895 HA HIS 107 HA HIS 107 2.697 -2.818 -30.432 896 HB2 HIS 107 HB2 HIS 107 1.171 -4.428 -31.636 897 HB3 HIS 107 HB3 HIS 107 1.633 -3.637 -33.140 898 HD1 HIS 107 HD1 HIS 107 3.805 -4.365 -34.213 899 HD2 HIS 107 HD2 HIS 107 3.328 -5.837 -30.349 900 HE1 HIS 107 HE1 HIS 107 5.661 -6.032 -33.884 901 HE2 HIS 107 HE2 HIS 107 5.195 -7.078 -31.640 902 H HIS 108 H HIS 108 4.373 -1.458 -30.612 903 HA HIS 108 HA HIS 108 4.930 -0.378 -33.290 904 HB2 HIS 108 HB2 HIS 108 5.421 1.770 -32.507 905 HB3 HIS 108 HB3 HIS 108 3.981 1.331 -31.602 906 HD1 HIS 108 HD1 HIS 108 4.411 0.613 -29.035 907 HD2 HIS 108 HD2 HIS 108 7.581 2.474 -30.995 908 HE1 HIS 108 HE1 HIS 108 5.981 1.382 -27.228 909 HE2 HIS 108 HE2 HIS 108 7.772 2.687 -28.428 910 H HIS 109 H HIS 109 7.016 -0.340 -33.921 911 HA HIS 109 HA HIS 109 9.201 -0.561 -32.108 912 HB2 HIS 109 HB2 HIS 109 8.374 -2.962 -32.275 913 HB3 HIS 109 HB3 HIS 109 8.838 -2.917 -33.972 914 HD1 HIS 109 HD1 HIS 109 11.109 -3.784 -34.419 915 HD2 HIS 109 HD2 HIS 109 10.754 -2.294 -30.549 916 HE1 HIS 109 HE1 HIS 109 13.326 -4.225 -33.313 917 HE2 HIS 109 HE2 HIS 109 13.030 -3.469 -30.927 918 H HIS 110 H HIS 110 9.028 -1.909 -35.374 919 HA HIS 110 HA HIS 110 9.509 0.447 -36.801 920 HB2 HIS 110 HB2 HIS 110 11.723 0.120 -35.455 921 HB3 HIS 110 HB3 HIS 110 12.043 -1.167 -36.614 922 HD1 HIS 110 HD1 HIS 110 12.815 -0.480 -38.936 923 HD2 HIS 110 HD2 HIS 110 11.644 2.740 -36.581 924 HE1 HIS 110 HE1 HIS 110 13.511 1.575 -40.204 925 HE2 HIS 110 HE2 HIS 110 12.980 3.499 -38.666 Start of MODEL 17 1 H1 MET 1 H1 MET 1 1.994 9.386 14.888 2 H2 MET 1 H2 MET 1 2.636 10.949 14.811 3 H3 MET 1 H3 MET 1 3.463 9.730 15.653 4 HA MET 1 HA MET 1 2.959 9.768 12.739 5 HB2 MET 1 HB2 MET 1 5.268 10.610 14.428 6 HB3 MET 1 HB3 MET 1 5.612 9.829 12.889 7 HG2 MET 1 HG2 MET 1 5.596 12.288 12.762 8 HG3 MET 1 HG3 MET 1 4.426 11.526 11.690 9 HE1 MET 1 HE1 MET 1 2.642 14.857 12.670 10 HE2 MET 1 HE2 MET 1 3.272 13.859 11.359 11 HE3 MET 1 HE3 MET 1 4.383 14.648 12.481 12 H ILE 2 H ILE 2 3.470 7.949 11.652 13 HA ILE 2 HA ILE 2 4.891 5.811 13.023 14 HB ILE 2 HB ILE 2 2.472 5.403 13.439 15 HG12 ILE 2 HG12 ILE 2 3.777 3.418 11.560 16 HG13 ILE 2 HG13 ILE 2 4.030 3.510 13.300 17 HG21 ILE 2 HG21 ILE 2 2.294 5.193 10.439 18 HG22 ILE 2 HG22 ILE 2 1.565 6.442 11.446 19 HG23 ILE 2 HG23 ILE 2 1.015 4.773 11.579 20 HD11 ILE 2 HD11 ILE 2 1.437 2.847 11.926 21 HD12 ILE 2 HD12 ILE 2 1.689 2.939 13.669 22 HD13 ILE 2 HD13 ILE 2 2.520 1.704 12.723 23 H THR 3 H THR 3 5.652 4.177 11.528 24 HA THR 3 HA THR 3 6.496 5.286 9.029 25 HB THR 3 HB THR 3 7.492 2.906 8.810 26 HG1 THR 3 HG1 THR 3 7.065 1.551 10.405 27 HG21 THR 3 HG21 THR 3 8.761 4.908 9.494 28 HG22 THR 3 HG22 THR 3 9.296 3.465 10.356 29 HG23 THR 3 HG23 THR 3 8.259 4.641 11.164 30 H PHE 4 H PHE 4 5.935 4.596 6.961 31 HA PHE 4 HA PHE 4 3.208 4.073 6.597 32 HB2 PHE 4 HB2 PHE 4 4.546 5.302 4.964 33 HB3 PHE 4 HB3 PHE 4 5.472 3.848 4.608 34 HD1 PHE 4 HD1 PHE 4 1.817 4.531 4.940 35 HD2 PHE 4 HD2 PHE 4 4.990 3.101 2.492 36 HE1 PHE 4 HE1 PHE 4 0.192 3.916 3.201 37 HE2 PHE 4 HE2 PHE 4 3.368 2.487 0.747 38 HZ PHE 4 HZ PHE 4 0.969 2.891 1.100 39 H ALA 5 H ALA 5 6.010 1.930 6.192 40 HA ALA 5 HA ALA 5 4.658 -0.287 5.174 41 HB1 ALA 5 HB1 ALA 5 7.113 -0.227 6.931 42 HB2 ALA 5 HB2 ALA 5 7.087 -0.114 5.172 43 HB3 ALA 5 HB3 ALA 5 6.576 -1.602 5.968 44 H ASP 6 H ASP 6 5.529 0.450 8.535 45 HA ASP 6 HA ASP 6 4.238 -1.765 9.683 46 HB2 ASP 6 HB2 ASP 6 4.900 0.920 10.908 47 HB3 ASP 6 HB3 ASP 6 4.433 -0.518 11.810 48 H TYR 7 H TYR 7 3.145 1.560 9.091 49 HA TYR 7 HA TYR 7 0.657 1.348 10.375 50 HB2 TYR 7 HB2 TYR 7 1.514 3.520 9.724 51 HB3 TYR 7 HB3 TYR 7 1.475 3.068 8.022 52 HD1 TYR 7 HD1 TYR 7 -0.630 3.885 10.961 53 HD2 TYR 7 HD2 TYR 7 -0.539 3.208 6.755 54 HE1 TYR 7 HE1 TYR 7 -2.928 4.734 10.774 55 HE2 TYR 7 HE2 TYR 7 -2.839 4.055 6.563 56 HH TYR 7 HH TYR 7 -4.790 4.404 7.892 57 H PHE 8 H PHE 8 1.571 0.752 6.991 58 HA PHE 8 HA PHE 8 -0.990 0.139 6.030 59 HB2 PHE 8 HB2 PHE 8 0.926 0.563 4.551 60 HB3 PHE 8 HB3 PHE 8 1.691 -0.922 5.105 61 HD1 PHE 8 HD2 PHE 8 -1.205 0.424 3.245 62 HD2 PHE 8 HD1 PHE 8 1.159 -3.002 4.141 63 HE1 PHE 8 HE2 PHE 8 -2.337 -0.822 1.451 64 HE2 PHE 8 HE1 PHE 8 0.029 -4.253 2.349 65 HZ PHE 8 HZ PHE 8 -1.721 -3.164 1.003 66 H TYR 9 H TYR 9 1.523 -1.925 7.421 67 HA TYR 9 HA TYR 9 0.123 -4.359 7.111 68 HB2 TYR 9 HB2 TYR 9 2.575 -4.159 7.530 69 HB3 TYR 9 HB3 TYR 9 2.217 -3.681 9.188 70 HD1 TYR 9 HD2 TYR 9 1.952 -6.446 6.749 71 HD2 TYR 9 HD1 TYR 9 1.711 -5.310 10.843 72 HE1 TYR 9 HE2 TYR 9 1.889 -8.816 7.398 73 HE2 TYR 9 HE1 TYR 9 1.637 -7.677 11.502 74 HH TYR 9 HH TYR 9 1.367 -9.793 10.751 75 H GLN 10 H GLN 10 0.445 -2.126 9.857 76 HA GLN 10 HA GLN 10 -1.135 -3.547 11.689 77 HB2 GLN 10 HB2 GLN 10 0.341 -1.581 12.213 78 HB3 GLN 10 HB3 GLN 10 -0.870 -0.539 11.483 79 HG2 GLN 10 HG2 GLN 10 -2.505 -1.355 13.155 80 HG3 GLN 10 HG3 GLN 10 -1.201 -2.253 13.931 81 HE21 GLN 10 HE21 GLN 10 -2.578 0.864 13.336 82 HE22 GLN 10 HE22 GLN 10 -1.616 1.742 14.474 83 H TRP 11 H TRP 11 -1.989 -0.937 9.441 84 HA TRP 11 HA TRP 11 -4.698 -0.712 9.984 85 HB2 TRP 11 HB2 TRP 11 -3.701 0.901 8.554 86 HB3 TRP 11 HB3 TRP 11 -3.106 -0.330 7.450 87 HD1 TRP 11 HD1 TRP 11 -6.400 1.431 8.436 88 HE1 TRP 11 HE1 TRP 11 -8.025 1.281 6.439 89 HE3 TRP 11 HE3 TRP 11 -3.635 -1.598 5.380 90 HZ2 TRP 11 HZ2 TRP 11 -8.113 0.018 3.895 91 HZ3 TRP 11 HZ3 TRP 11 -4.560 -2.235 3.194 92 HH2 TRP 11 HH2 TRP 11 -6.752 -1.444 2.473 93 H TYR 12 H TYR 12 -3.113 -2.775 7.560 94 HA TYR 12 HA TYR 12 -5.444 -3.993 6.618 95 HB2 TYR 12 HB2 TYR 12 -3.560 -4.272 5.263 96 HB3 TYR 12 HB3 TYR 12 -2.553 -4.803 6.607 97 HD1 TYR 12 HD1 TYR 12 -5.737 -5.898 4.955 98 HD2 TYR 12 HD2 TYR 12 -1.969 -7.012 6.588 99 HE1 TYR 12 HE1 TYR 12 -6.199 -8.242 4.403 100 HE2 TYR 12 HE2 TYR 12 -2.422 -9.361 6.037 101 HH TYR 12 HH TYR 12 -4.321 -10.805 5.623 102 H GLU 13 H GLU 13 -3.213 -4.990 9.183 103 HA GLU 13 HA GLU 13 -4.351 -7.526 9.624 104 HB2 GLU 13 HB2 GLU 13 -2.068 -6.741 10.342 105 HB3 GLU 13 HB3 GLU 13 -2.850 -5.848 11.638 106 HG2 GLU 13 HG2 GLU 13 -3.609 -7.848 12.664 107 HG3 GLU 13 HG3 GLU 13 -3.127 -8.817 11.275 108 H VAL 14 H VAL 14 -5.350 -4.376 10.620 109 HA VAL 14 HA VAL 14 -7.230 -5.480 12.576 110 HB VAL 14 HB VAL 14 -6.813 -2.583 11.790 111 HG11 VAL 14 HG11 VAL 14 -8.230 -3.818 14.154 112 HG12 VAL 14 HG12 VAL 14 -8.992 -3.012 12.783 113 HG13 VAL 14 HG13 VAL 14 -7.975 -2.092 13.894 114 HG21 VAL 14 HG21 VAL 14 -5.680 -4.134 14.125 115 HG22 VAL 14 HG22 VAL 14 -5.547 -2.391 13.898 116 HG23 VAL 14 HG23 VAL 14 -4.769 -3.490 12.759 117 H ASN 15 H ASN 15 -7.115 -4.202 9.333 118 HA ASN 15 HA ASN 15 -9.916 -3.401 9.449 119 HB2 ASN 15 HB2 ASN 15 -7.761 -2.185 8.361 120 HB3 ASN 15 HB3 ASN 15 -8.400 -3.020 6.948 121 HD21 ASN 15 HD21 ASN 15 -8.924 -0.559 9.309 122 HD22 ASN 15 HD22 ASN 15 -10.289 0.171 8.543 123 H LYS 16 H LYS 16 -7.846 -5.429 7.357 124 HA LYS 16 HA LYS 16 -10.339 -6.400 6.115 125 HB2 LYS 16 HB2 LYS 16 -7.599 -6.271 4.854 126 HB3 LYS 16 HB3 LYS 16 -9.099 -6.719 4.057 127 HG2 LYS 16 HG2 LYS 16 -8.472 -4.006 5.201 128 HG3 LYS 16 HG3 LYS 16 -8.392 -4.450 3.496 129 HD2 LYS 16 HD2 LYS 16 -10.781 -4.914 3.485 130 HD3 LYS 16 HD3 LYS 16 -10.875 -4.550 5.209 131 HE2 LYS 16 HE2 LYS 16 -10.187 -2.250 4.772 132 HE3 LYS 16 HE3 LYS 16 -10.059 -2.609 3.049 133 HZ1 LYS 16 HZ1 LYS 16 -12.570 -2.812 4.629 134 HZ2 LYS 16 HZ2 LYS 16 -12.410 -3.003 2.949 135 HZ3 LYS 16 HZ3 LYS 16 -12.148 -1.488 3.662 136 H LEU 17 H LEU 17 -7.823 -7.324 8.076 137 HA LEU 17 HA LEU 17 -6.889 -9.711 7.034 138 HB2 LEU 17 HB2 LEU 17 -5.938 -8.509 8.982 139 HB3 LEU 17 HB3 LEU 17 -7.272 -9.094 9.959 140 HG LEU 17 HG LEU 17 -6.518 -11.439 9.409 141 HD11 LEU 17 HD11 LEU 17 -5.215 -10.932 7.426 142 HD12 LEU 17 HD12 LEU 17 -4.202 -11.702 8.649 143 HD13 LEU 17 HD13 LEU 17 -4.100 -9.959 8.385 144 HD21 LEU 17 HD21 LEU 17 -4.715 -11.425 11.043 145 HD22 LEU 17 HD22 LEU 17 -6.037 -10.374 11.554 146 HD23 LEU 17 HD23 LEU 17 -4.565 -9.675 10.880 147 HA PRO 18 HA PRO 18 -10.173 -12.278 9.242 148 HB2 PRO 18 HB2 PRO 18 -12.156 -10.920 10.670 149 HB3 PRO 18 HB3 PRO 18 -10.711 -11.669 11.347 150 HG2 PRO 18 HG2 PRO 18 -11.333 -8.902 11.225 151 HG3 PRO 18 HG3 PRO 18 -9.828 -9.644 11.792 152 HD2 PRO 18 HD2 PRO 18 -10.446 -8.366 9.203 153 HD3 PRO 18 HD3 PRO 18 -8.882 -8.593 10.009 154 H HIS 19 H HIS 19 -10.695 -10.255 6.906 155 HA HIS 19 HA HIS 19 -13.529 -10.972 6.535 156 HB2 HIS 19 HB2 HIS 19 -12.190 -8.421 5.614 157 HB3 HIS 19 HB3 HIS 19 -13.872 -8.862 5.343 158 HD2 HIS 19 HD2 HIS 19 -11.571 -7.479 8.117 159 HE1 HIS 19 HE1 HIS 19 -15.536 -7.546 9.580 160 HE2 HIS 19 HE2 HIS 19 -13.132 -6.996 10.139 161 H VAL 20 H VAL 20 -10.494 -10.157 4.883 162 HA VAL 20 HA VAL 20 -11.521 -11.032 2.335 163 HB VAL 20 HB VAL 20 -9.318 -10.532 1.441 164 HG11 VAL 20 HG11 VAL 20 -10.853 -8.684 1.737 165 HG12 VAL 20 HG12 VAL 20 -9.198 -8.149 2.022 166 HG13 VAL 20 HG13 VAL 20 -10.278 -8.440 3.386 167 HG21 VAL 20 HG21 VAL 20 -8.479 -10.042 4.298 168 HG22 VAL 20 HG22 VAL 20 -7.505 -9.710 2.867 169 HG23 VAL 20 HG23 VAL 20 -7.941 -11.369 3.272 170 H SER 21 H SER 21 -10.410 -12.695 1.031 171 HA SER 21 HA SER 21 -10.046 -15.100 2.597 172 HB2 SER 21 HB2 SER 21 -9.920 -14.680 -0.401 173 HB3 SER 21 HB3 SER 21 -9.990 -16.239 0.426 174 HG SER 21 HG SER 21 -11.992 -14.619 1.255 175 H GLU 22 H GLU 22 -8.211 -16.615 1.814 176 HA GLU 22 HA GLU 22 -5.826 -15.450 2.730 177 HB2 GLU 22 HB2 GLU 22 -4.756 -17.609 2.045 178 HB3 GLU 22 HB3 GLU 22 -6.154 -17.778 3.094 179 HG2 GLU 22 HG2 GLU 22 -6.449 -17.996 0.127 180 HG3 GLU 22 HG3 GLU 22 -5.870 -19.360 1.079 181 H SER 23 H SER 23 -7.079 -15.820 -0.497 182 HA SER 23 HA SER 23 -4.676 -15.479 -1.919 183 HB2 SER 23 HB2 SER 23 -6.239 -14.597 -3.739 184 HB3 SER 23 HB3 SER 23 -6.576 -16.222 -3.140 185 HG SER 23 HG SER 23 -8.473 -15.533 -2.612 186 H THR 24 H THR 24 -7.135 -13.104 -0.925 187 HA THR 24 HA THR 24 -5.707 -10.838 -1.825 188 HB THR 24 HB THR 24 -7.775 -10.905 0.382 189 HG1 THR 24 HG1 THR 24 -9.252 -11.228 -1.120 190 HG21 THR 24 HG21 THR 24 -6.965 -8.755 -1.584 191 HG22 THR 24 HG22 THR 24 -6.625 -8.764 0.147 192 HG23 THR 24 HG23 THR 24 -8.288 -8.631 -0.423 193 H LYS 25 H LYS 25 -5.727 -12.656 1.171 194 HA LYS 25 HA LYS 25 -4.300 -10.895 2.806 195 HB2 LYS 25 HB2 LYS 25 -4.330 -13.917 2.727 196 HB3 LYS 25 HB3 LYS 25 -3.548 -12.984 3.997 197 HG2 LYS 25 HG2 LYS 25 -5.694 -11.956 4.556 198 HG3 LYS 25 HG3 LYS 25 -6.474 -12.915 3.299 199 HD2 LYS 25 HD2 LYS 25 -5.930 -14.957 4.459 200 HD3 LYS 25 HD3 LYS 25 -4.998 -14.063 5.665 201 HE2 LYS 25 HE2 LYS 25 -6.976 -12.962 6.460 202 HE3 LYS 25 HE3 LYS 25 -7.940 -13.660 5.159 203 HZ1 LYS 25 HZ1 LYS 25 -7.517 -15.856 6.102 204 HZ2 LYS 25 HZ2 LYS 25 -8.302 -14.839 7.204 205 HZ3 LYS 25 HZ3 LYS 25 -6.644 -15.152 7.376 206 H ARG 26 H ARG 26 -3.182 -13.302 0.479 207 HA ARG 26 HA ARG 26 -0.415 -12.792 0.954 208 HB2 ARG 26 HB2 ARG 26 -1.801 -14.188 -1.334 209 HB3 ARG 26 HB3 ARG 26 -0.057 -14.144 -1.100 210 HG2 ARG 26 HG2 ARG 26 -0.413 -15.226 1.126 211 HG3 ARG 26 HG3 ARG 26 -2.112 -15.420 0.690 212 HD2 ARG 26 HD2 ARG 26 -0.865 -17.457 0.237 213 HD3 ARG 26 HD3 ARG 26 -1.458 -16.742 -1.262 214 HE ARG 26 HE ARG 26 1.179 -15.852 -0.676 215 HH11 ARG 26 HH11 ARG 26 -0.611 -18.622 -1.839 216 HH12 ARG 26 HH12 ARG 26 0.684 -19.224 -2.827 217 HH21 ARG 26 HH21 ARG 26 2.900 -16.625 -1.989 218 HH22 ARG 26 HH22 ARG 26 2.695 -18.105 -2.878 219 H HIS 27 H HIS 27 -2.830 -11.474 -1.224 220 HA HIS 27 HA HIS 27 -1.120 -9.994 -2.888 221 HB2 HIS 27 HB2 HIS 27 -3.962 -9.656 -2.013 222 HB3 HIS 27 HB3 HIS 27 -3.171 -8.333 -2.862 223 HD2 HIS 27 HD2 HIS 27 -4.586 -11.873 -3.533 224 HE1 HIS 27 HE1 HIS 27 -3.301 -10.196 -7.199 225 HE2 HIS 27 HE2 HIS 27 -4.277 -12.255 -6.086 226 H TYR 28 H TYR 28 -2.647 -9.127 0.201 227 HA TYR 28 HA TYR 28 -1.438 -6.612 0.479 228 HB2 TYR 28 HB2 TYR 28 -2.595 -8.575 2.421 229 HB3 TYR 28 HB3 TYR 28 -1.742 -7.154 3.014 230 HD1 TYR 28 HD1 TYR 28 -2.636 -4.910 2.613 231 HD2 TYR 28 HD2 TYR 28 -4.771 -8.384 1.392 232 HE1 TYR 28 HE1 TYR 28 -4.681 -3.565 2.382 233 HE2 TYR 28 HE2 TYR 28 -6.819 -7.045 1.160 234 HH TYR 28 HH TYR 28 -7.763 -4.973 1.977 235 H GLU 29 H GLU 29 -0.325 -9.835 1.462 236 HA GLU 29 HA GLU 29 2.015 -9.047 2.782 237 HB2 GLU 29 HB2 GLU 29 1.358 -11.539 1.218 238 HB3 GLU 29 HB3 GLU 29 2.873 -11.333 2.086 239 HG2 GLU 29 HG2 GLU 29 1.666 -11.099 4.177 240 HG3 GLU 29 HG3 GLU 29 0.131 -11.242 3.322 241 H SER 30 H SER 30 1.463 -9.816 -0.633 242 HA SER 30 HA SER 30 4.094 -9.387 -1.517 243 HB2 SER 30 HB2 SER 30 1.499 -9.017 -3.036 244 HB3 SER 30 HB3 SER 30 3.098 -9.201 -3.755 245 HG SER 30 HG SER 30 1.596 -11.115 -2.294 246 H ALA 31 H ALA 31 1.294 -7.215 -1.333 247 HA ALA 31 HA ALA 31 2.497 -4.921 -2.389 248 HB1 ALA 31 HB1 ALA 31 0.732 -3.686 -1.240 249 HB2 ALA 31 HB2 ALA 31 0.364 -5.107 -0.261 250 HB3 ALA 31 HB3 ALA 31 0.088 -5.140 -2.002 251 H TYR 32 H TYR 32 2.221 -6.028 0.969 252 HA TYR 32 HA TYR 32 3.483 -3.832 2.161 253 HB2 TYR 32 HB2 TYR 32 2.175 -5.257 3.541 254 HB3 TYR 32 HB3 TYR 32 3.101 -6.680 3.073 255 HD1 TYR 32 HD2 TYR 32 3.607 -3.361 4.735 256 HD2 TYR 32 HD1 TYR 32 4.708 -7.466 4.517 257 HE1 TYR 32 HE2 TYR 32 5.097 -3.060 6.669 258 HE2 TYR 32 HE1 TYR 32 6.200 -7.175 6.446 259 HH TYR 32 HH TYR 32 6.147 -4.419 8.441 260 H LYS 33 H LYS 33 4.860 -6.863 0.901 261 HA LYS 33 HA LYS 33 7.420 -6.422 2.038 262 HB2 LYS 33 HB2 LYS 33 8.207 -8.244 0.747 263 HB3 LYS 33 HB3 LYS 33 6.557 -8.638 1.195 264 HG2 LYS 33 HG2 LYS 33 5.802 -7.974 -1.037 265 HG3 LYS 33 HG3 LYS 33 7.470 -7.613 -1.482 266 HD2 LYS 33 HD2 LYS 33 6.368 -10.304 -0.680 267 HD3 LYS 33 HD3 LYS 33 6.840 -9.805 -2.306 268 HE2 LYS 33 HE2 LYS 33 8.671 -10.050 0.081 269 HE3 LYS 33 HE3 LYS 33 8.562 -11.187 -1.261 270 HZ1 LYS 33 HZ1 LYS 33 10.432 -9.717 -1.548 271 HZ2 LYS 33 HZ2 LYS 33 9.436 -8.353 -1.440 272 HZ3 LYS 33 HZ3 LYS 33 9.282 -9.408 -2.754 273 H HIS 34 H HIS 34 5.962 -5.463 -1.036 274 HA HIS 34 HA HIS 34 8.370 -4.350 -2.099 275 HB2 HIS 34 HB2 HIS 34 5.461 -3.945 -2.777 276 HB3 HIS 34 HB3 HIS 34 6.737 -3.039 -3.582 277 HD1 HIS 34 HD1 HIS 34 8.523 -4.581 -4.943 278 HD2 HIS 34 HD2 HIS 34 4.960 -6.392 -3.814 279 HE1 HIS 34 HE1 HIS 34 8.307 -6.662 -6.359 280 H ILE 35 H ILE 35 5.686 -3.099 -0.191 281 HA ILE 35 HA ILE 35 6.492 -0.401 -0.137 282 HB ILE 35 HB ILE 35 4.905 -2.018 1.859 283 HG12 ILE 35 HG12 ILE 35 4.060 0.020 -0.210 284 HG13 ILE 35 HG13 ILE 35 3.908 -1.725 -0.385 285 HG21 ILE 35 HG21 ILE 35 4.198 0.095 2.847 286 HG22 ILE 35 HG22 ILE 35 5.274 0.975 1.762 287 HG23 ILE 35 HG23 ILE 35 5.946 -0.107 2.983 288 HD11 ILE 35 HD11 ILE 35 2.361 -1.781 1.497 289 HD12 ILE 35 HD12 ILE 35 1.792 -0.699 0.225 290 HD13 ILE 35 HD13 ILE 35 2.526 -0.035 1.685 291 H LYS 36 H LYS 36 7.202 -3.115 2.030 292 HA LYS 36 HA LYS 36 8.789 -1.765 3.900 293 HB2 LYS 36 HB2 LYS 36 7.949 -4.100 4.150 294 HB3 LYS 36 HB3 LYS 36 9.102 -4.621 2.930 295 HG2 LYS 36 HG2 LYS 36 10.854 -3.549 4.542 296 HG3 LYS 36 HG3 LYS 36 9.576 -3.747 5.741 297 HD2 LYS 36 HD2 LYS 36 10.643 -5.964 3.996 298 HD3 LYS 36 HD3 LYS 36 11.183 -5.647 5.643 299 HE2 LYS 36 HE2 LYS 36 8.321 -6.225 4.907 300 HE3 LYS 36 HE3 LYS 36 9.469 -7.471 5.387 301 HZ1 LYS 36 HZ1 LYS 36 9.793 -6.125 7.473 302 HZ2 LYS 36 HZ2 LYS 36 8.292 -6.895 7.312 303 HZ3 LYS 36 HZ3 LYS 36 8.421 -5.232 7.022 304 H ASP 37 H ASP 37 9.516 -2.983 0.703 305 HA ASP 37 HA ASP 37 12.362 -2.712 0.995 306 HB2 ASP 37 HB2 ASP 37 11.460 -4.393 -0.509 307 HB3 ASP 37 HB3 ASP 37 10.650 -3.153 -1.460 308 H HIS 38 H HIS 38 9.838 -0.873 -0.730 309 HA HIS 38 HA HIS 38 11.730 1.038 -1.741 310 HB2 HIS 38 HB2 HIS 38 9.531 0.361 -2.840 311 HB3 HIS 38 HB3 HIS 38 8.729 1.367 -1.640 312 HD1 HIS 38 HD1 HIS 38 9.929 1.500 -4.985 313 HD2 HIS 38 HD2 HIS 38 9.872 4.189 -1.806 314 HE1 HIS 38 HE1 HIS 38 10.168 3.780 -6.017 315 HE2 HIS 38 HE2 HIS 38 10.205 5.398 -4.071 316 H PHE 39 H PHE 39 9.529 0.878 0.993 317 HA PHE 39 HA PHE 39 10.547 3.498 1.875 318 HB2 PHE 39 HB2 PHE 39 7.777 2.369 2.337 319 HB3 PHE 39 HB3 PHE 39 8.377 3.896 2.969 320 HD1 PHE 39 HD2 PHE 39 9.195 5.615 1.203 321 HD2 PHE 39 HD1 PHE 39 6.628 2.332 0.340 322 HE1 PHE 39 HE2 PHE 39 8.401 6.773 -0.817 323 HE2 PHE 39 HE1 PHE 39 5.832 3.484 -1.685 324 HZ PHE 39 HZ PHE 39 6.716 5.707 -2.263 325 H ARG 40 H ARG 40 12.210 2.159 2.906 326 HA ARG 40 HA ARG 40 11.449 0.334 4.990 327 HB2 ARG 40 HB2 ARG 40 14.173 1.558 4.553 328 HB3 ARG 40 HB3 ARG 40 13.788 0.052 5.378 329 HG2 ARG 40 HG2 ARG 40 13.013 -0.893 3.247 330 HG3 ARG 40 HG3 ARG 40 13.471 0.605 2.436 331 HD2 ARG 40 HD2 ARG 40 15.228 -0.955 2.093 332 HD3 ARG 40 HD3 ARG 40 15.801 0.231 3.263 333 HE ARG 40 HE ARG 40 15.210 -1.494 4.998 334 HH11 ARG 40 HH11 ARG 40 15.917 -2.423 1.697 335 HH12 ARG 40 HH12 ARG 40 16.592 -3.967 2.140 336 HH21 ARG 40 HH21 ARG 40 16.073 -3.520 5.589 337 HH22 ARG 40 HH22 ARG 40 16.705 -4.580 4.365 338 H HIS 41 H HIS 41 10.275 1.345 6.511 339 HA HIS 41 HA HIS 41 9.797 2.535 8.366 340 HB2 HIS 41 HB2 HIS 41 12.763 2.514 8.417 341 HB3 HIS 41 HB3 HIS 41 11.957 3.691 9.451 342 HD1 HIS 41 HD1 HIS 41 12.539 2.523 11.645 343 HD2 HIS 41 HD2 HIS 41 10.490 0.088 8.967 344 HE1 HIS 41 HE1 HIS 41 11.840 0.503 12.963 345 HE2 HIS 41 HE2 HIS 41 10.394 -0.832 11.390 346 H LYS 42 H LYS 42 9.793 3.724 5.734 347 HA LYS 42 HA LYS 42 10.299 6.534 6.068 348 HB2 LYS 42 HB2 LYS 42 10.271 5.314 3.878 349 HB3 LYS 42 HB3 LYS 42 8.547 5.066 4.081 350 HG2 LYS 42 HG2 LYS 42 8.737 6.856 2.609 351 HG3 LYS 42 HG3 LYS 42 8.355 7.598 4.163 352 HD2 LYS 42 HD2 LYS 42 10.514 8.409 4.446 353 HD3 LYS 42 HD3 LYS 42 11.201 7.251 3.302 354 HE2 LYS 42 HE2 LYS 42 10.104 8.405 1.461 355 HE3 LYS 42 HE3 LYS 42 9.378 9.546 2.592 356 HZ1 LYS 42 HZ1 LYS 42 11.535 10.365 3.165 357 HZ2 LYS 42 HZ2 LYS 42 11.384 10.412 1.478 358 HZ3 LYS 42 HZ3 LYS 42 12.300 9.186 2.213 359 H LEU 43 H LEU 43 8.904 8.011 6.991 360 HA LEU 43 HA LEU 43 6.569 7.224 8.357 361 HB2 LEU 43 HB2 LEU 43 7.414 9.960 7.393 362 HB3 LEU 43 HB3 LEU 43 6.072 9.670 8.479 363 HG LEU 43 HG LEU 43 8.941 8.978 9.107 364 HD11 LEU 43 HD11 LEU 43 7.260 11.338 9.942 365 HD12 LEU 43 HD12 LEU 43 8.697 11.377 8.919 366 HD13 LEU 43 HD13 LEU 43 8.837 10.925 10.618 367 HD21 LEU 43 HD21 LEU 43 6.477 9.077 10.844 368 HD22 LEU 43 HD22 LEU 43 8.115 8.705 11.382 369 HD23 LEU 43 HD23 LEU 43 7.280 7.610 10.281 370 H LEU 44 H LEU 44 4.393 7.277 7.792 371 HA LEU 44 HA LEU 44 3.822 6.736 5.097 372 HB2 LEU 44 HB2 LEU 44 1.584 6.438 5.708 373 HB3 LEU 44 HB3 LEU 44 2.501 5.983 7.128 374 HG LEU 44 HG LEU 44 1.223 8.702 6.827 375 HD11 LEU 44 HD11 LEU 44 0.099 6.257 8.183 376 HD12 LEU 44 HD12 LEU 44 -0.489 6.957 6.674 377 HD13 LEU 44 HD13 LEU 44 -0.612 7.872 8.179 378 HD21 LEU 44 HD21 LEU 44 3.004 8.549 8.490 379 HD22 LEU 44 HD22 LEU 44 2.203 7.163 9.231 380 HD23 LEU 44 HD23 LEU 44 1.431 8.749 9.264 381 H LYS 45 H LYS 45 3.682 9.690 6.916 382 HA LYS 45 HA LYS 45 2.325 11.094 4.769 383 HB2 LYS 45 HB2 LYS 45 2.602 13.066 6.372 384 HB3 LYS 45 HB3 LYS 45 1.546 11.757 6.881 385 HG2 LYS 45 HG2 LYS 45 2.746 12.220 8.794 386 HG3 LYS 45 HG3 LYS 45 3.631 10.859 8.112 387 HD2 LYS 45 HD2 LYS 45 5.196 12.541 8.867 388 HD3 LYS 45 HD3 LYS 45 5.236 12.458 7.103 389 HE2 LYS 45 HE2 LYS 45 3.803 14.417 6.962 390 HE3 LYS 45 HE3 LYS 45 3.685 14.480 8.719 391 HZ1 LYS 45 HZ1 LYS 45 5.289 16.067 7.958 392 HZ2 LYS 45 HZ2 LYS 45 6.146 14.876 7.105 393 HZ3 LYS 45 HZ3 LYS 45 6.094 14.835 8.801 394 H ASP 46 H ASP 46 5.342 10.062 5.173 395 HA ASP 46 HA ASP 46 6.613 12.505 4.155 396 HB2 ASP 46 HB2 ASP 46 7.589 11.205 6.143 397 HB3 ASP 46 HB3 ASP 46 8.036 9.970 4.969 398 H ILE 47 H ILE 47 5.112 9.775 3.082 399 HA ILE 47 HA ILE 47 6.698 9.140 0.806 400 HB ILE 47 HB ILE 47 3.836 8.597 1.551 401 HG12 ILE 47 HG12 ILE 47 4.566 6.242 1.120 402 HG13 ILE 47 HG13 ILE 47 6.184 6.850 0.796 403 HG21 ILE 47 HG21 ILE 47 3.439 7.485 -0.581 404 HG22 ILE 47 HG22 ILE 47 5.013 8.025 -1.166 405 HG23 ILE 47 HG23 ILE 47 3.751 9.206 -0.816 406 HD11 ILE 47 HD11 ILE 47 4.704 7.078 3.398 407 HD12 ILE 47 HD12 ILE 47 6.333 7.672 3.077 408 HD13 ILE 47 HD13 ILE 47 6.000 5.940 3.030 409 H LYS 48 H LYS 48 7.127 10.484 -0.769 410 HA LYS 48 HA LYS 48 5.679 12.903 -1.183 411 HB2 LYS 48 HB2 LYS 48 7.669 11.667 -3.090 412 HB3 LYS 48 HB3 LYS 48 7.262 13.367 -2.907 413 HG2 LYS 48 HG2 LYS 48 8.750 11.657 -0.924 414 HG3 LYS 48 HG3 LYS 48 9.425 12.931 -1.941 415 HD2 LYS 48 HD2 LYS 48 8.149 14.606 -0.788 416 HD3 LYS 48 HD3 LYS 48 7.275 13.375 0.125 417 HE2 LYS 48 HE2 LYS 48 9.396 12.687 1.172 418 HE3 LYS 48 HE3 LYS 48 10.224 13.977 0.300 419 HZ1 LYS 48 HZ1 LYS 48 8.904 15.601 1.460 420 HZ2 LYS 48 HZ2 LYS 48 9.659 14.589 2.589 421 HZ3 LYS 48 HZ3 LYS 48 8.012 14.386 2.238 422 H ARG 49 H ARG 49 4.418 13.479 -2.985 423 HA ARG 49 HA ARG 49 2.639 11.548 -3.968 424 HB2 ARG 49 HB2 ARG 49 3.276 14.378 -4.631 425 HB3 ARG 49 HB3 ARG 49 2.384 13.461 -5.836 426 HG2 ARG 49 HG2 ARG 49 0.921 14.738 -4.333 427 HG3 ARG 49 HG3 ARG 49 0.627 13.002 -4.258 428 HD2 ARG 49 HD2 ARG 49 0.575 13.922 -2.037 429 HD3 ARG 49 HD3 ARG 49 1.992 12.891 -2.211 430 HE ARG 49 HE ARG 49 2.653 15.589 -2.767 431 HH11 ARG 49 HH11 ARG 49 1.935 13.426 -0.108 432 HH12 ARG 49 HH12 ARG 49 2.812 14.356 1.066 433 HH21 ARG 49 HH21 ARG 49 3.827 16.810 -1.226 434 HH22 ARG 49 HH22 ARG 49 3.916 16.261 0.426 435 H THR 50 H THR 50 5.629 12.844 -5.242 436 HA THR 50 HA THR 50 5.518 11.514 -7.742 437 HB THR 50 HB THR 50 8.060 11.978 -7.663 438 HG1 THR 50 HG1 THR 50 8.707 12.570 -5.732 439 HG21 THR 50 HG21 THR 50 6.443 13.350 -8.901 440 HG22 THR 50 HG22 THR 50 7.699 14.346 -8.165 441 HG23 THR 50 HG23 THR 50 6.098 14.262 -7.432 442 H GLU 51 H GLU 51 6.910 10.701 -4.584 443 HA GLU 51 HA GLU 51 8.321 8.402 -5.387 444 HB2 GLU 51 HB2 GLU 51 7.221 9.325 -2.757 445 HB3 GLU 51 HB3 GLU 51 7.884 7.705 -2.911 446 HG2 GLU 51 HG2 GLU 51 9.315 10.296 -3.406 447 HG3 GLU 51 HG3 GLU 51 9.566 9.178 -2.065 448 H TYR 52 H TYR 52 4.999 8.827 -4.256 449 HA TYR 52 HA TYR 52 4.357 6.080 -4.205 450 HB2 TYR 52 HB2 TYR 52 3.006 7.862 -3.102 451 HB3 TYR 52 HB3 TYR 52 2.472 8.397 -4.692 452 HD1 TYR 52 HD1 TYR 52 2.902 4.907 -3.503 453 HD2 TYR 52 HD2 TYR 52 0.160 7.964 -4.613 454 HE1 TYR 52 HE1 TYR 52 1.062 3.283 -3.413 455 HE2 TYR 52 HE2 TYR 52 -1.687 6.344 -4.531 456 HH TYR 52 HH TYR 52 -1.344 3.244 -3.143 457 H GLN 53 H GLN 53 4.071 8.558 -6.713 458 HA GLN 53 HA GLN 53 2.882 6.915 -8.671 459 HB2 GLN 53 HB2 GLN 53 3.234 9.507 -8.598 460 HB3 GLN 53 HB3 GLN 53 4.772 9.146 -9.365 461 HG2 GLN 53 HG2 GLN 53 2.175 8.163 -10.493 462 HG3 GLN 53 HG3 GLN 53 2.808 9.758 -10.864 463 HE21 GLN 53 HE21 GLN 53 5.572 8.935 -10.873 464 HE22 GLN 53 HE22 GLN 53 5.805 7.988 -12.302 465 H LYS 54 H LYS 54 6.283 7.656 -7.934 466 HA LYS 54 HA LYS 54 7.470 6.136 -9.968 467 HB2 LYS 54 HB2 LYS 54 8.443 6.823 -7.195 468 HB3 LYS 54 HB3 LYS 54 9.438 5.996 -8.383 469 HG2 LYS 54 HG2 LYS 54 9.254 7.913 -9.879 470 HG3 LYS 54 HG3 LYS 54 8.248 8.744 -8.690 471 HD2 LYS 54 HD2 LYS 54 10.078 8.711 -7.088 472 HD3 LYS 54 HD3 LYS 54 11.082 7.813 -8.227 473 HE2 LYS 54 HE2 LYS 54 10.007 10.604 -8.600 474 HE3 LYS 54 HE3 LYS 54 11.675 10.168 -8.230 475 HZ1 LYS 54 HZ1 LYS 54 11.606 8.856 -10.380 476 HZ2 LYS 54 HZ2 LYS 54 11.621 10.542 -10.523 477 HZ3 LYS 54 HZ3 LYS 54 10.173 9.687 -10.737 478 H PHE 55 H PHE 55 6.484 5.244 -6.696 479 HA PHE 55 HA PHE 55 7.392 2.606 -6.664 480 HB2 PHE 55 HB2 PHE 55 6.573 3.714 -4.659 481 HB3 PHE 55 HB3 PHE 55 4.958 3.829 -5.345 482 HD1 PHE 55 HD1 PHE 55 7.525 1.330 -4.339 483 HD2 PHE 55 HD2 PHE 55 3.393 2.186 -4.905 484 HE1 PHE 55 HE1 PHE 55 6.938 -0.836 -3.328 485 HE2 PHE 55 HE2 PHE 55 2.802 0.019 -3.901 486 HZ PHE 55 HZ PHE 55 4.578 -1.493 -3.106 487 H LEU 56 H LEU 56 4.376 3.986 -7.869 488 HA LEU 56 HA LEU 56 3.184 1.529 -8.605 489 HB2 LEU 56 HB2 LEU 56 2.723 4.315 -9.673 490 HB3 LEU 56 HB3 LEU 56 1.707 2.929 -10.024 491 HG LEU 56 HG LEU 56 2.131 4.148 -7.292 492 HD11 LEU 56 HD11 LEU 56 -0.246 4.209 -9.143 493 HD12 LEU 56 HD12 LEU 56 0.789 5.574 -8.721 494 HD13 LEU 56 HD13 LEU 56 -0.220 4.817 -7.489 495 HD21 LEU 56 HD21 LEU 56 0.372 2.624 -6.562 496 HD22 LEU 56 HD22 LEU 56 1.762 1.736 -7.185 497 HD23 LEU 56 HD23 LEU 56 0.312 1.911 -8.173 498 H ASN 57 H ASN 57 5.298 3.796 -10.324 499 HA ASN 57 HA ASN 57 5.158 2.598 -12.865 500 HB2 ASN 57 HB2 ASN 57 7.583 3.925 -11.628 501 HB3 ASN 57 HB3 ASN 57 7.329 3.620 -13.339 502 HD21 ASN 57 HD21 ASN 57 4.410 4.397 -12.911 503 HD22 ASN 57 HD22 ASN 57 4.446 6.121 -12.905 504 H GLU 58 H GLU 58 7.430 2.093 -10.197 505 HA GLU 58 HA GLU 58 8.978 0.078 -11.368 506 HB2 GLU 58 HB2 GLU 58 8.369 0.682 -8.468 507 HB3 GLU 58 HB3 GLU 58 9.575 -0.487 -8.985 508 HG2 GLU 58 HG2 GLU 58 9.607 2.426 -9.725 509 HG3 GLU 58 HG3 GLU 58 10.495 1.727 -8.372 510 H TYR 59 H TYR 59 6.022 -0.100 -9.455 511 HA TYR 59 HA TYR 59 6.016 -2.934 -9.237 512 HB2 TYR 59 HB2 TYR 59 4.778 -1.266 -7.762 513 HB3 TYR 59 HB3 TYR 59 3.599 -1.138 -9.062 514 HD1 TYR 59 HD2 TYR 59 5.032 -3.361 -6.511 515 HD2 TYR 59 HD1 TYR 59 2.007 -2.892 -9.463 516 HE1 TYR 59 HE2 TYR 59 3.859 -5.323 -5.609 517 HE2 TYR 59 HE1 TYR 59 0.822 -4.851 -8.567 518 HH TYR 59 HH TYR 59 1.507 -6.219 -5.585 519 H GLY 60 H GLY 60 4.673 -0.634 -11.525 520 HA2 GLY 60 HA2 GLY 60 3.100 -2.579 -12.945 521 HA3 GLY 60 HA3 GLY 60 3.422 -0.926 -13.448 522 H LEU 61 H LEU 61 6.375 -2.088 -12.815 523 HA LEU 61 HA LEU 61 6.879 -2.850 -15.581 524 HB2 LEU 61 HB2 LEU 61 8.747 -2.453 -13.237 525 HB3 LEU 61 HB3 LEU 61 9.267 -2.870 -14.858 526 HG LEU 61 HG LEU 61 7.832 -0.318 -14.113 527 HD11 LEU 61 HD11 LEU 61 10.075 -0.425 -13.146 528 HD12 LEU 61 HD12 LEU 61 9.994 0.759 -14.451 529 HD13 LEU 61 HD13 LEU 61 10.742 -0.813 -14.733 530 HD21 LEU 61 HD21 LEU 61 7.429 -1.034 -16.415 531 HD22 LEU 61 HD22 LEU 61 9.167 -1.177 -16.677 532 HD23 LEU 61 HD23 LEU 61 8.452 0.403 -16.358 533 H THR 62 H THR 62 6.202 -4.344 -12.620 534 HA THR 62 HA THR 62 7.474 -6.847 -13.517 535 HB THR 62 HB THR 62 7.593 -7.400 -11.030 536 HG1 THR 62 HG1 THR 62 7.700 -4.674 -10.476 537 HG21 THR 62 HG21 THR 62 9.273 -5.107 -12.061 538 HG22 THR 62 HG22 THR 62 9.570 -6.818 -12.365 539 HG23 THR 62 HG23 THR 62 9.694 -6.181 -10.726 540 H HIS 63 H HIS 63 4.519 -5.377 -12.882 541 HA HIS 63 HA HIS 63 3.261 -7.983 -12.402 542 HB2 HIS 63 HB2 HIS 63 2.849 -5.479 -10.780 543 HB3 HIS 63 HB3 HIS 63 1.668 -6.784 -10.810 544 HD1 HIS 63 HD1 HIS 63 5.275 -6.133 -9.807 545 HD2 HIS 63 HD2 HIS 63 2.216 -8.876 -9.145 546 HE1 HIS 63 HE1 HIS 63 6.099 -7.642 -7.970 547 HE2 HIS 63 HE2 HIS 63 4.311 -9.402 -7.719 548 H SER 64 H SER 64 0.803 -7.752 -12.525 549 HA SER 64 HA SER 64 0.205 -6.687 -15.133 550 HB2 SER 64 HB2 SER 64 -0.587 -8.915 -14.344 551 HB3 SER 64 HB3 SER 64 -1.599 -8.104 -13.152 552 HG SER 64 HG SER 64 -2.681 -8.716 -15.135 553 H TYR 65 H TYR 65 -2.015 -5.580 -15.395 554 HA TYR 65 HA TYR 65 -1.752 -3.050 -14.130 555 HB2 TYR 65 HB2 TYR 65 -2.519 -3.220 -16.436 556 HB3 TYR 65 HB3 TYR 65 -3.947 -4.110 -15.919 557 HD1 TYR 65 HD1 TYR 65 -2.268 -0.809 -15.760 558 HD2 TYR 65 HD2 TYR 65 -5.896 -2.964 -15.150 559 HE1 TYR 65 HE1 TYR 65 -3.481 1.313 -15.536 560 HE2 TYR 65 HE2 TYR 65 -7.116 -0.839 -14.936 561 HH TYR 65 HH TYR 65 -6.650 1.517 -14.345 562 H GLU 66 H GLU 66 -4.226 -5.618 -13.902 563 HA GLU 66 HA GLU 66 -5.869 -4.212 -12.102 564 HB2 GLU 66 HB2 GLU 66 -6.462 -6.339 -13.366 565 HB3 GLU 66 HB3 GLU 66 -5.563 -7.211 -12.126 566 HG2 GLU 66 HG2 GLU 66 -7.067 -5.935 -10.467 567 HG3 GLU 66 HG3 GLU 66 -8.089 -5.643 -11.873 568 H THR 67 H THR 67 -3.014 -6.166 -11.647 569 HA THR 67 HA THR 67 -3.222 -6.500 -8.852 570 HB THR 67 HB THR 67 -0.639 -6.384 -10.410 571 HG1 THR 67 HG1 THR 67 -2.756 -8.219 -10.492 572 HG21 THR 67 HG21 THR 67 -1.500 -7.971 -7.984 573 HG22 THR 67 HG22 THR 67 -0.439 -6.563 -7.973 574 HG23 THR 67 HG23 THR 67 0.084 -8.050 -8.762 575 H ILE 68 H ILE 68 -1.397 -4.141 -10.829 576 HA ILE 68 HA ILE 68 -0.496 -2.648 -8.588 577 HB ILE 68 HB ILE 68 0.700 -2.442 -10.675 578 HG12 ILE 68 HG12 ILE 68 -0.661 0.125 -9.846 579 HG13 ILE 68 HG13 ILE 68 0.855 -0.522 -9.227 580 HG21 ILE 68 HG21 ILE 68 -0.244 -1.276 -12.617 581 HG22 ILE 68 HG22 ILE 68 -1.810 -1.225 -11.808 582 HG23 ILE 68 HG23 ILE 68 -1.097 -2.775 -12.251 583 HD11 ILE 68 HD11 ILE 68 1.247 1.312 -10.759 584 HD12 ILE 68 HD12 ILE 68 0.366 0.460 -12.028 585 HD13 ILE 68 HD13 ILE 68 1.884 -0.197 -11.415 586 H ARG 69 H ARG 69 -3.358 -2.471 -10.621 587 HA ARG 69 HA ARG 69 -4.398 -0.044 -9.649 588 HB2 ARG 69 HB2 ARG 69 -5.278 -1.178 -11.650 589 HB3 ARG 69 HB3 ARG 69 -5.882 -2.488 -10.644 590 HG2 ARG 69 HG2 ARG 69 -7.381 -0.922 -9.511 591 HG3 ARG 69 HG3 ARG 69 -6.777 0.382 -10.532 592 HD2 ARG 69 HD2 ARG 69 -7.600 -0.817 -12.520 593 HD3 ARG 69 HD3 ARG 69 -8.244 -2.083 -11.471 594 HE ARG 69 HE ARG 69 -9.237 0.436 -10.662 595 HH11 ARG 69 HH11 ARG 69 -9.605 -1.903 -13.255 596 HH12 ARG 69 HH12 ARG 69 -11.247 -1.446 -13.591 597 HH21 ARG 69 HH21 ARG 69 -11.392 1.044 -11.137 598 HH22 ARG 69 HH22 ARG 69 -12.253 0.210 -12.396 599 H LYS 70 H LYS 70 -4.727 -3.375 -8.528 600 HA LYS 70 HA LYS 70 -6.543 -2.773 -6.420 601 HB2 LYS 70 HB2 LYS 70 -5.913 -5.052 -7.626 602 HB3 LYS 70 HB3 LYS 70 -4.757 -5.167 -6.306 603 HG2 LYS 70 HG2 LYS 70 -6.486 -5.133 -4.680 604 HG3 LYS 70 HG3 LYS 70 -7.698 -4.705 -5.887 605 HD2 LYS 70 HD2 LYS 70 -6.173 -7.306 -5.740 606 HD3 LYS 70 HD3 LYS 70 -7.861 -7.064 -5.288 607 HE2 LYS 70 HE2 LYS 70 -8.266 -6.309 -7.660 608 HE3 LYS 70 HE3 LYS 70 -6.633 -6.862 -8.032 609 HZ1 LYS 70 HZ1 LYS 70 -7.365 -9.080 -7.111 610 HZ2 LYS 70 HZ2 LYS 70 -8.055 -8.624 -8.593 611 HZ3 LYS 70 HZ3 LYS 70 -8.954 -8.483 -7.159 612 H LEU 71 H LEU 71 -3.038 -3.161 -6.633 613 HA LEU 71 HA LEU 71 -2.320 -2.807 -3.969 614 HB2 LEU 71 HB2 LEU 71 -0.644 -3.381 -5.553 615 HB3 LEU 71 HB3 LEU 71 -0.998 -1.979 -6.542 616 HG LEU 71 HG LEU 71 -0.132 -0.542 -4.671 617 HD11 LEU 71 HD11 LEU 71 0.805 -3.191 -3.585 618 HD12 LEU 71 HD12 LEU 71 -0.382 -2.117 -2.845 619 HD13 LEU 71 HD13 LEU 71 1.298 -1.603 -2.996 620 HD21 LEU 71 HD21 LEU 71 1.783 -2.534 -5.870 621 HD22 LEU 71 HD22 LEU 71 2.212 -0.961 -5.197 622 HD23 LEU 71 HD23 LEU 71 1.202 -1.058 -6.640 623 H ASN 72 H ASN 72 -2.676 -0.340 -6.497 624 HA ASN 72 HA ASN 72 -2.339 1.963 -5.010 625 HB2 ASN 72 HB2 ASN 72 -2.570 1.991 -7.434 626 HB3 ASN 72 HB3 ASN 72 -4.234 1.437 -7.315 627 HD21 ASN 72 HD21 ASN 72 -5.167 3.129 -8.323 628 HD22 ASN 72 HD22 ASN 72 -5.166 4.746 -7.701 629 H SER 73 H SER 73 -5.266 0.028 -5.459 630 HA SER 73 HA SER 73 -7.028 1.670 -4.028 631 HB2 SER 73 HB2 SER 73 -7.764 -0.175 -5.500 632 HB3 SER 73 HB3 SER 73 -7.122 -1.342 -4.344 633 HG SER 73 HG SER 73 -9.391 -0.972 -4.107 634 H TYR 74 H TYR 74 -5.070 -1.112 -2.941 635 HA TYR 74 HA TYR 74 -5.923 -1.256 -0.303 636 HB2 TYR 74 HB2 TYR 74 -3.121 -1.698 -1.358 637 HB3 TYR 74 HB3 TYR 74 -3.697 -2.216 0.220 638 HD1 TYR 74 HD1 TYR 74 -6.472 -3.135 -0.805 639 HD2 TYR 74 HD2 TYR 74 -2.496 -3.848 -2.138 640 HE1 TYR 74 HE1 TYR 74 -7.182 -5.290 -1.756 641 HE2 TYR 74 HE2 TYR 74 -3.195 -5.998 -3.097 642 HH TYR 74 HH TYR 74 -6.438 -6.864 -3.504 643 H ILE 75 H ILE 75 -3.168 0.583 -1.578 644 HA ILE 75 HA ILE 75 -2.474 1.767 0.891 645 HB ILE 75 HB ILE 75 -1.850 2.632 -1.937 646 HG12 ILE 75 HG12 ILE 75 -0.243 1.046 0.082 647 HG13 ILE 75 HG13 ILE 75 -1.053 0.380 -1.331 648 HG21 ILE 75 HG21 ILE 75 -0.010 3.922 -0.967 649 HG22 ILE 75 HG22 ILE 75 -0.575 3.511 0.653 650 HG23 ILE 75 HG23 ILE 75 -1.577 4.505 -0.406 651 HD11 ILE 75 HD11 ILE 75 1.309 0.607 -1.745 652 HD12 ILE 75 HD12 ILE 75 1.246 2.321 -1.335 653 HD13 ILE 75 HD13 ILE 75 0.413 1.728 -2.771 654 H ARG 76 H ARG 76 -4.569 2.776 -1.746 655 HA ARG 76 HA ARG 76 -5.037 5.417 -0.848 656 HB2 ARG 76 HB2 ARG 76 -5.507 4.461 -3.141 657 HB3 ARG 76 HB3 ARG 76 -6.925 3.685 -2.449 658 HG2 ARG 76 HG2 ARG 76 -7.987 5.739 -2.055 659 HG3 ARG 76 HG3 ARG 76 -6.493 6.649 -2.295 660 HD2 ARG 76 HD2 ARG 76 -8.021 5.118 -4.395 661 HD3 ARG 76 HD3 ARG 76 -7.928 6.873 -4.236 662 HE ARG 76 HE ARG 76 -5.423 5.415 -4.591 663 HH11 ARG 76 HH11 ARG 76 -7.947 7.375 -6.029 664 HH12 ARG 76 HH12 ARG 76 -6.959 7.877 -7.376 665 HH21 ARG 76 HH21 ARG 76 -4.125 6.053 -6.341 666 HH22 ARG 76 HH22 ARG 76 -4.782 7.109 -7.564 667 H ASN 77 H ASN 77 -6.646 2.334 -0.191 668 HA ASN 77 HA ASN 77 -8.734 3.386 1.410 669 HB2 ASN 77 HB2 ASN 77 -7.474 0.672 1.162 670 HB3 ASN 77 HB3 ASN 77 -8.606 0.991 2.468 671 HD21 ASN 77 HD21 ASN 77 -8.197 0.515 -0.909 672 HD22 ASN 77 HD22 ASN 77 -9.874 0.442 -1.322 673 H ALA 78 H ALA 78 -5.475 2.225 2.151 674 HA ALA 78 HA ALA 78 -5.589 2.405 4.940 675 HB1 ALA 78 HB1 ALA 78 -3.771 1.288 3.746 676 HB2 ALA 78 HB2 ALA 78 -3.145 2.496 4.869 677 HB3 ALA 78 HB3 ALA 78 -3.204 2.846 3.141 678 H PHE 79 H PHE 79 -4.605 4.828 2.536 679 HA PHE 79 HA PHE 79 -4.125 6.850 4.473 680 HB2 PHE 79 HB2 PHE 79 -4.317 6.817 1.493 681 HB3 PHE 79 HB3 PHE 79 -4.330 8.360 2.348 682 HD1 PHE 79 HD2 PHE 79 -2.484 8.448 4.299 683 HD2 PHE 79 HD1 PHE 79 -2.255 6.099 0.758 684 HE1 PHE 79 HE2 PHE 79 -0.036 8.375 4.514 685 HE2 PHE 79 HE1 PHE 79 0.197 6.015 0.972 686 HZ PHE 79 HZ PHE 79 1.306 7.158 2.852 687 H ASP 80 H ASP 80 -6.963 5.871 2.664 688 HA ASP 80 HA ASP 80 -8.600 8.093 3.214 689 HB2 ASP 80 HB2 ASP 80 -9.245 6.254 1.665 690 HB3 ASP 80 HB3 ASP 80 -9.434 5.179 3.045 691 H ASP 81 H ASP 81 -7.889 5.169 5.094 692 HA ASP 81 HA ASP 81 -9.479 5.909 7.334 693 HB2 ASP 81 HB2 ASP 81 -7.312 3.906 6.858 694 HB3 ASP 81 HB3 ASP 81 -7.731 4.307 8.519 695 H ALA 82 H ALA 82 -6.086 6.395 6.476 696 HA ALA 82 HA ALA 82 -5.183 7.503 8.874 697 HB1 ALA 82 HB1 ALA 82 -4.269 8.196 6.084 698 HB2 ALA 82 HB2 ALA 82 -3.703 6.825 7.038 699 HB3 ALA 82 HB3 ALA 82 -3.372 8.471 7.577 700 H ILE 83 H ILE 83 -6.433 9.169 5.988 701 HA ILE 83 HA ILE 83 -6.340 11.768 7.107 702 HB ILE 83 HB ILE 83 -6.489 11.274 4.673 703 HG12 ILE 83 HG12 ILE 83 -8.661 13.085 5.734 704 HG13 ILE 83 HG13 ILE 83 -6.970 13.530 5.516 705 HG21 ILE 83 HG21 ILE 83 -8.145 9.534 4.654 706 HG22 ILE 83 HG22 ILE 83 -8.720 10.889 3.681 707 HG23 ILE 83 HG23 ILE 83 -9.360 10.635 5.306 708 HD11 ILE 83 HD11 ILE 83 -8.453 14.357 3.726 709 HD12 ILE 83 HD12 ILE 83 -8.814 12.681 3.294 710 HD13 ILE 83 HD13 ILE 83 -7.170 13.302 3.139 711 H HIS 84 H HIS 84 -8.698 9.210 7.158 712 HA HIS 84 HA HIS 84 -10.932 10.654 8.090 713 HB2 HIS 84 HB2 HIS 84 -10.920 8.320 7.129 714 HB3 HIS 84 HB3 HIS 84 -10.252 7.762 8.657 715 HD1 HIS 84 HD1 HIS 84 -11.840 7.558 10.652 716 HD2 HIS 84 HD2 HIS 84 -13.615 9.090 7.212 717 HE1 HIS 84 HE1 HIS 84 -14.322 7.474 11.070 718 HE2 HIS 84 HE2 HIS 84 -15.367 8.154 8.879 719 H GLU 85 H GLU 85 -8.103 9.367 9.637 720 HA GLU 85 HA GLU 85 -9.241 9.864 12.297 721 HB2 GLU 85 HB2 GLU 85 -6.629 8.537 11.544 722 HB3 GLU 85 HB3 GLU 85 -7.299 8.654 13.166 723 HG2 GLU 85 HG2 GLU 85 -8.417 7.102 10.844 724 HG3 GLU 85 HG3 GLU 85 -7.704 6.457 12.321 725 H GLY 86 H GLY 86 -7.582 11.511 9.991 726 HA2 GLY 86 HA2 GLY 86 -6.689 13.644 10.106 727 HA3 GLY 86 HA3 GLY 86 -6.814 13.568 11.856 728 H TYR 87 H TYR 87 -5.193 11.068 10.051 729 HA TYR 87 HA TYR 87 -2.750 11.578 11.488 730 HB2 TYR 87 HB2 TYR 87 -3.882 9.315 10.409 731 HB3 TYR 87 HB3 TYR 87 -2.613 9.680 9.244 732 HD1 TYR 87 HD2 TYR 87 -0.305 10.417 10.511 733 HD2 TYR 87 HD1 TYR 87 -3.310 7.829 12.051 734 HE1 TYR 87 HE2 TYR 87 1.347 9.409 12.025 735 HE2 TYR 87 HE1 TYR 87 -1.664 6.811 13.568 736 HH TYR 87 HH TYR 87 0.709 6.546 13.834 737 H VAL 88 H VAL 88 -3.534 11.346 8.017 738 HA VAL 88 HA VAL 88 -1.315 13.204 7.477 739 HB VAL 88 HB VAL 88 -2.693 11.321 5.552 740 HG11 VAL 88 HG11 VAL 88 -1.805 13.286 4.435 741 HG12 VAL 88 HG12 VAL 88 -0.841 11.863 4.036 742 HG13 VAL 88 HG13 VAL 88 -0.240 13.037 5.208 743 HG21 VAL 88 HG21 VAL 88 -1.420 10.070 7.184 744 HG22 VAL 88 HG22 VAL 88 -0.011 11.095 6.903 745 HG23 VAL 88 HG23 VAL 88 -0.601 10.032 5.623 746 H ILE 89 H ILE 89 -1.756 15.162 6.669 747 HA ILE 89 HA ILE 89 -4.424 16.102 6.635 748 HB ILE 89 HB ILE 89 -2.728 17.626 7.304 749 HG12 ILE 89 HG12 ILE 89 -3.708 18.476 4.570 750 HG13 ILE 89 HG13 ILE 89 -4.623 18.601 6.068 751 HG21 ILE 89 HG21 ILE 89 -0.820 16.692 6.179 752 HG22 ILE 89 HG22 ILE 89 -0.945 18.409 5.788 753 HG23 ILE 89 HG23 ILE 89 -1.450 17.195 4.611 754 HD11 ILE 89 HD11 ILE 89 -3.680 20.740 5.462 755 HD12 ILE 89 HD12 ILE 89 -2.062 20.040 5.424 756 HD13 ILE 89 HD13 ILE 89 -2.940 20.147 6.949 757 H LYS 90 H LYS 90 -2.075 15.587 4.000 758 HA LYS 90 HA LYS 90 -4.349 15.458 2.143 759 HB2 LYS 90 HB2 LYS 90 -1.668 16.758 1.600 760 HB3 LYS 90 HB3 LYS 90 -2.955 16.549 0.421 761 HG2 LYS 90 HG2 LYS 90 -3.176 18.189 2.937 762 HG3 LYS 90 HG3 LYS 90 -2.831 18.833 1.333 763 HD2 LYS 90 HD2 LYS 90 -5.299 17.237 1.984 764 HD3 LYS 90 HD3 LYS 90 -5.230 18.998 2.070 765 HE2 LYS 90 HE2 LYS 90 -4.673 19.116 -0.287 766 HE3 LYS 90 HE3 LYS 90 -4.633 17.357 -0.388 767 HZ1 LYS 90 HZ1 LYS 90 -6.935 17.222 -0.078 768 HZ2 LYS 90 HZ2 LYS 90 -6.725 18.502 -1.177 769 HZ3 LYS 90 HZ3 LYS 90 -7.061 18.828 0.452 770 H ASN 91 H ASN 91 -4.459 13.416 1.500 771 HA ASN 91 HA ASN 91 -2.464 11.508 1.868 772 HB2 ASN 91 HB2 ASN 91 -4.910 11.477 0.105 773 HB3 ASN 91 HB3 ASN 91 -3.857 10.081 0.305 774 HD21 ASN 91 HD21 ASN 91 -6.600 10.213 0.958 775 HD22 ASN 91 HD22 ASN 91 -6.733 9.951 2.666 776 HA PRO 92 HA PRO 92 0.245 12.120 -1.588 777 HB2 PRO 92 HB2 PRO 92 1.178 9.391 -1.086 778 HB3 PRO 92 HB3 PRO 92 2.041 10.918 -0.901 779 HG2 PRO 92 HG2 PRO 92 1.290 9.438 1.219 780 HG3 PRO 92 HG3 PRO 92 1.331 11.210 1.274 781 HD2 PRO 92 HD2 PRO 92 -1.016 9.377 0.890 782 HD3 PRO 92 HD3 PRO 92 -0.875 10.828 1.910 783 H THR 93 H THR 93 -2.442 10.400 -1.702 784 HA THR 93 HA THR 93 -1.912 8.628 -3.907 785 HB THR 93 HB THR 93 -4.498 8.547 -3.922 786 HG1 THR 93 HG1 THR 93 -5.505 9.473 -2.189 787 HG21 THR 93 HG21 THR 93 -3.068 6.794 -2.964 788 HG22 THR 93 HG22 THR 93 -4.522 7.034 -1.996 789 HG23 THR 93 HG23 THR 93 -2.980 7.694 -1.450 790 H TYR 94 H TYR 94 -2.489 11.921 -3.523 791 HA TYR 94 HA TYR 94 -3.765 12.504 -5.999 792 HB2 TYR 94 HB2 TYR 94 -3.790 14.087 -4.130 793 HB3 TYR 94 HB3 TYR 94 -2.038 14.219 -4.190 794 HD1 TYR 94 HD2 TYR 94 -5.182 15.128 -5.873 795 HD2 TYR 94 HD1 TYR 94 -0.953 15.605 -5.825 796 HE1 TYR 94 HE2 TYR 94 -5.385 17.034 -7.415 797 HE2 TYR 94 HE1 TYR 94 -1.147 17.514 -7.362 798 HH TYR 94 HH TYR 94 -2.679 18.411 -9.003 799 H LYS 95 H LYS 95 -2.890 12.973 -7.975 800 HA LYS 95 HA LYS 95 -1.384 13.321 -9.641 801 HB2 LYS 95 HB2 LYS 95 -0.197 14.846 -8.143 802 HB3 LYS 95 HB3 LYS 95 0.654 13.496 -7.412 803 HG2 LYS 95 HG2 LYS 95 1.897 13.103 -9.395 804 HG3 LYS 95 HG3 LYS 95 0.898 14.226 -10.316 805 HD2 LYS 95 HD2 LYS 95 2.602 15.031 -7.964 806 HD3 LYS 95 HD3 LYS 95 3.135 15.127 -9.645 807 HE2 LYS 95 HE2 LYS 95 0.729 16.529 -8.482 808 HE3 LYS 95 HE3 LYS 95 2.288 17.280 -8.810 809 HZ1 LYS 95 HZ1 LYS 95 2.001 16.821 -11.155 810 HZ2 LYS 95 HZ2 LYS 95 0.671 17.695 -10.578 811 HZ3 LYS 95 HZ3 LYS 95 0.531 16.032 -10.859 812 H ALA 96 H ALA 96 -1.404 10.709 -7.592 813 HA ALA 96 HA ALA 96 0.652 9.147 -8.853 814 HB1 ALA 96 HB1 ALA 96 -0.231 7.298 -7.531 815 HB2 ALA 96 HB2 ALA 96 -1.621 8.281 -7.070 816 HB3 ALA 96 HB3 ALA 96 -0.002 8.736 -6.536 817 H GLU 97 H GLU 97 0.466 7.702 -10.496 818 HA GLU 97 HA GLU 97 -2.189 7.255 -11.651 819 HB2 GLU 97 HB2 GLU 97 0.251 8.198 -13.162 820 HB3 GLU 97 HB3 GLU 97 -1.221 7.610 -13.923 821 HG2 GLU 97 HG2 GLU 97 -2.481 9.434 -12.896 822 HG3 GLU 97 HG3 GLU 97 -1.001 10.026 -12.143 823 H LEU 98 H LEU 98 -2.296 5.424 -13.086 824 HA LEU 98 HA LEU 98 -0.470 3.310 -12.254 825 HB2 LEU 98 HB2 LEU 98 -2.992 3.160 -13.906 826 HB3 LEU 98 HB3 LEU 98 -2.067 1.789 -13.325 827 HG LEU 98 HG LEU 98 -3.546 3.770 -11.601 828 HD11 LEU 98 HD11 LEU 98 -4.133 0.885 -12.227 829 HD12 LEU 98 HD12 LEU 98 -5.029 2.279 -12.833 830 HD13 LEU 98 HD13 LEU 98 -5.032 1.909 -11.108 831 HD21 LEU 98 HD21 LEU 98 -2.995 2.275 -9.753 832 HD22 LEU 98 HD22 LEU 98 -1.535 2.928 -10.498 833 HD23 LEU 98 HD23 LEU 98 -2.038 1.273 -10.844 834 H HIS 99 H HIS 99 0.790 2.120 -13.688 835 HA HIS 99 HA HIS 99 0.626 2.604 -16.521 836 HB2 HIS 99 HB2 HIS 99 2.019 4.522 -15.544 837 HB3 HIS 99 HB3 HIS 99 3.243 3.307 -15.189 838 HD1 HIS 99 HD1 HIS 99 3.157 5.810 -17.355 839 HD2 HIS 99 HD2 HIS 99 3.159 1.711 -18.076 840 HE1 HIS 99 HE1 HIS 99 4.051 5.530 -19.693 841 HE2 HIS 99 HE2 HIS 99 3.835 3.063 -20.180 842 H ALA 100 H ALA 100 0.279 0.377 -16.613 843 HA ALA 100 HA ALA 100 2.371 -1.417 -15.716 844 HB1 ALA 100 HB1 ALA 100 -0.111 -1.970 -17.347 845 HB2 ALA 100 HB2 ALA 100 0.040 -2.155 -15.599 846 HB3 ALA 100 HB3 ALA 100 0.978 -3.187 -16.679 847 H SER 101 H SER 101 4.209 -1.182 -16.843 848 HA SER 101 HA SER 101 4.102 -0.455 -19.654 849 HB2 SER 101 HB2 SER 101 5.633 0.688 -18.033 850 HB3 SER 101 HB3 SER 101 6.525 -0.823 -17.877 851 HG SER 101 HG SER 101 6.639 -0.624 -20.315 852 H VAL 102 H VAL 102 3.835 -3.268 -18.140 853 HA VAL 102 HA VAL 102 5.697 -4.877 -19.642 854 HB VAL 102 HB VAL 102 3.283 -5.818 -18.080 855 HG11 VAL 102 HG11 VAL 102 4.266 -7.509 -19.520 856 HG12 VAL 102 HG12 VAL 102 4.562 -7.890 -17.824 857 HG13 VAL 102 HG13 VAL 102 5.854 -7.212 -18.814 858 HG21 VAL 102 HG21 VAL 102 4.631 -4.411 -16.636 859 HG22 VAL 102 HG22 VAL 102 6.082 -5.314 -17.075 860 HG23 VAL 102 HG23 VAL 102 4.792 -6.103 -16.166 861 H LEU 103 H LEU 103 2.694 -3.447 -20.222 862 HA LEU 103 HA LEU 103 1.615 -5.528 -21.903 863 HB2 LEU 103 HB2 LEU 103 0.663 -2.702 -21.426 864 HB3 LEU 103 HB3 LEU 103 -0.220 -3.939 -22.298 865 HG LEU 103 HG LEU 103 0.492 -4.034 -19.363 866 HD11 LEU 103 HD11 LEU 103 -2.155 -3.598 -20.741 867 HD12 LEU 103 HD12 LEU 103 -1.226 -2.377 -19.871 868 HD13 LEU 103 HD13 LEU 103 -1.905 -3.754 -19.003 869 HD21 LEU 103 HD21 LEU 103 0.444 -6.256 -20.357 870 HD22 LEU 103 HD22 LEU 103 -1.139 -5.919 -21.059 871 HD23 LEU 103 HD23 LEU 103 -0.952 -6.011 -19.306 872 H GLU 104 H GLU 104 2.706 -5.848 -23.742 873 HA GLU 104 HA GLU 104 2.828 -3.559 -25.588 874 HB2 GLU 104 HB2 GLU 104 4.706 -5.931 -25.477 875 HB3 GLU 104 HB3 GLU 104 4.680 -4.745 -26.772 876 HG2 GLU 104 HG2 GLU 104 5.149 -3.003 -24.994 877 HG3 GLU 104 HG3 GLU 104 5.481 -4.353 -23.909 878 H HIS 105 H HIS 105 1.270 -3.762 -27.069 879 HA HIS 105 HA HIS 105 -0.012 -6.263 -27.559 880 HB2 HIS 105 HB2 HIS 105 -1.487 -5.117 -29.001 881 HB3 HIS 105 HB3 HIS 105 -1.098 -3.960 -27.738 882 HD1 HIS 105 HD1 HIS 105 -1.058 -4.442 -31.368 883 HD2 HIS 105 HD2 HIS 105 0.693 -1.858 -28.617 884 HE1 HIS 105 HE1 HIS 105 -0.235 -2.474 -32.706 885 HE2 HIS 105 HE2 HIS 105 0.628 -0.843 -30.999 886 H HIS 106 H HIS 106 2.712 -4.669 -28.858 887 HA HIS 106 HA HIS 106 3.165 -7.001 -30.552 888 HB2 HIS 106 HB2 HIS 106 2.314 -5.289 -32.104 889 HB3 HIS 106 HB3 HIS 106 3.529 -4.153 -31.529 890 HD1 HIS 106 HD1 HIS 106 5.733 -4.170 -32.704 891 HD2 HIS 106 HD2 HIS 106 3.479 -7.574 -33.509 892 HE1 HIS 106 HE1 HIS 106 6.984 -5.404 -34.501 893 HE2 HIS 106 HE2 HIS 106 5.731 -7.566 -34.792 894 H HIS 107 H HIS 107 4.851 -7.830 -29.469 895 HA HIS 107 HA HIS 107 6.874 -6.004 -28.401 896 HB2 HIS 107 HB2 HIS 107 7.697 -7.838 -27.096 897 HB3 HIS 107 HB3 HIS 107 5.944 -7.857 -26.971 898 HD1 HIS 107 HD1 HIS 107 4.731 -9.934 -27.792 899 HD2 HIS 107 HD2 HIS 107 8.810 -9.978 -28.612 900 HE1 HIS 107 HE1 HIS 107 5.258 -12.285 -28.533 901 HE2 HIS 107 HE2 HIS 107 7.691 -12.239 -29.174 902 H HIS 108 H HIS 108 9.184 -6.613 -28.677 903 HA HIS 108 HA HIS 108 9.650 -7.439 -31.456 904 HB2 HIS 108 HB2 HIS 108 11.435 -5.988 -29.484 905 HB3 HIS 108 HB3 HIS 108 11.943 -6.485 -31.094 906 HD1 HIS 108 HD1 HIS 108 11.513 -4.872 -32.950 907 HD2 HIS 108 HD2 HIS 108 9.275 -4.009 -29.546 908 HE1 HIS 108 HE1 HIS 108 10.375 -2.680 -33.416 909 HE2 HIS 108 HE2 HIS 108 9.145 -2.107 -31.298 910 H HIS 109 H HIS 109 10.168 -9.498 -31.759 911 HA HIS 109 HA HIS 109 10.896 -11.230 -29.638 912 HB2 HIS 109 HB2 HIS 109 9.741 -12.095 -31.602 913 HB3 HIS 109 HB3 HIS 109 11.094 -11.635 -32.633 914 HD1 HIS 109 HD1 HIS 109 10.059 -14.183 -30.078 915 HD2 HIS 109 HD2 HIS 109 13.253 -13.384 -32.616 916 HE1 HIS 109 HE1 HIS 109 11.517 -16.236 -30.002 917 HE2 HIS 109 HE2 HIS 109 13.556 -15.619 -31.356 918 H HIS 110 H HIS 110 12.777 -11.541 -28.718 919 HA HIS 110 HA HIS 110 15.193 -10.503 -30.004 920 HB2 HIS 110 HB2 HIS 110 14.838 -11.583 -27.193 921 HB3 HIS 110 HB3 HIS 110 16.262 -10.760 -27.822 922 HD1 HIS 110 HD1 HIS 110 15.728 -8.166 -28.629 923 HD2 HIS 110 HD2 HIS 110 13.098 -9.938 -25.931 924 HE1 HIS 110 HE1 HIS 110 14.475 -6.269 -27.546 925 HE2 HIS 110 HE2 HIS 110 12.903 -7.357 -25.901 Start of MODEL 18 1 H1 MET 1 H1 MET 1 6.128 9.083 15.241 2 H2 MET 1 H2 MET 1 4.619 8.534 15.788 3 H3 MET 1 H3 MET 1 4.870 10.189 15.503 4 HA MET 1 HA MET 1 3.584 9.186 13.733 5 HB2 MET 1 HB2 MET 1 5.097 11.083 13.250 6 HB3 MET 1 HB3 MET 1 6.393 9.952 12.899 7 HG2 MET 1 HG2 MET 1 5.386 10.823 10.867 8 HG3 MET 1 HG3 MET 1 5.160 9.081 11.005 9 HE1 MET 1 HE1 MET 1 1.793 12.094 11.974 10 HE2 MET 1 HE2 MET 1 3.405 12.605 11.473 11 HE3 MET 1 HE3 MET 1 3.177 11.799 13.025 12 H ILE 2 H ILE 2 3.149 7.423 12.556 13 HA ILE 2 HA ILE 2 4.877 5.124 12.929 14 HB ILE 2 HB ILE 2 2.380 5.026 13.207 15 HG12 ILE 2 HG12 ILE 2 2.130 2.833 12.069 16 HG13 ILE 2 HG13 ILE 2 3.611 3.153 11.172 17 HG21 ILE 2 HG21 ILE 2 1.754 6.406 11.302 18 HG22 ILE 2 HG22 ILE 2 0.989 4.820 11.215 19 HG23 ILE 2 HG23 ILE 2 2.384 5.183 10.198 20 HD11 ILE 2 HD11 ILE 2 3.393 2.900 14.159 21 HD12 ILE 2 HD12 ILE 2 4.876 3.180 13.246 22 HD13 ILE 2 HD13 ILE 2 3.995 1.661 13.057 23 H THR 3 H THR 3 5.652 3.812 11.251 24 HA THR 3 HA THR 3 6.440 5.196 8.848 25 HB THR 3 HB THR 3 7.646 3.067 8.361 26 HG1 THR 3 HG1 THR 3 5.900 1.995 9.922 27 HG21 THR 3 HG21 THR 3 8.718 4.834 9.684 28 HG22 THR 3 HG22 THR 3 9.236 3.233 10.212 29 HG23 THR 3 HG23 THR 3 8.050 4.133 11.158 30 H PHE 4 H PHE 4 5.783 4.694 6.757 31 HA PHE 4 HA PHE 4 3.083 4.096 6.439 32 HB2 PHE 4 HB2 PHE 4 4.312 5.412 4.811 33 HB3 PHE 4 HB3 PHE 4 5.295 4.016 4.384 34 HD1 PHE 4 HD2 PHE 4 1.621 4.165 4.926 35 HD2 PHE 4 HD1 PHE 4 4.796 3.679 2.132 36 HE1 PHE 4 HE2 PHE 4 -0.008 3.549 3.190 37 HE2 PHE 4 HE1 PHE 4 3.170 3.057 0.393 38 HZ PHE 4 HZ PHE 4 0.766 2.989 0.922 39 H ALA 5 H ALA 5 5.895 2.007 5.826 40 HA ALA 5 HA ALA 5 4.555 -0.173 4.739 41 HB1 ALA 5 HB1 ALA 5 6.982 0.031 4.714 42 HB2 ALA 5 HB2 ALA 5 6.492 -1.510 5.417 43 HB3 ALA 5 HB3 ALA 5 7.034 -0.198 6.462 44 H ASP 6 H ASP 6 5.492 0.334 8.133 45 HA ASP 6 HA ASP 6 4.249 -2.024 9.082 46 HB2 ASP 6 HB2 ASP 6 6.104 -0.875 10.256 47 HB3 ASP 6 HB3 ASP 6 5.022 0.461 10.629 48 H TYR 7 H TYR 7 3.142 1.270 8.656 49 HA TYR 7 HA TYR 7 0.750 1.084 10.153 50 HB2 TYR 7 HB2 TYR 7 1.638 3.245 9.457 51 HB3 TYR 7 HB3 TYR 7 1.432 2.815 7.763 52 HD1 TYR 7 HD1 TYR 7 -0.405 3.548 10.897 53 HD2 TYR 7 HD2 TYR 7 -0.643 3.157 6.666 54 HE1 TYR 7 HE1 TYR 7 -2.663 4.519 10.939 55 HE2 TYR 7 HE2 TYR 7 -2.904 4.126 6.698 56 HH TYR 7 HH TYR 7 -4.772 4.397 8.291 57 H PHE 8 H PHE 8 1.479 0.541 6.729 58 HA PHE 8 HA PHE 8 -1.106 -0.027 5.838 59 HB2 PHE 8 HB2 PHE 8 0.841 0.358 4.359 60 HB3 PHE 8 HB3 PHE 8 1.510 -1.193 4.851 61 HD1 PHE 8 HD2 PHE 8 -1.091 0.482 2.906 62 HD2 PHE 8 HD1 PHE 8 0.599 -3.274 4.000 63 HE1 PHE 8 HE2 PHE 8 -2.331 -0.601 1.079 64 HE2 PHE 8 HE1 PHE 8 -0.644 -4.363 2.175 65 HZ PHE 8 HZ PHE 8 -2.110 -3.029 0.715 66 H TYR 9 H TYR 9 1.401 -2.166 7.124 67 HA TYR 9 HA TYR 9 0.008 -4.575 6.791 68 HB2 TYR 9 HB2 TYR 9 2.420 -4.457 7.264 69 HB3 TYR 9 HB3 TYR 9 2.071 -3.867 8.887 70 HD1 TYR 9 HD1 TYR 9 1.585 -6.754 6.617 71 HD2 TYR 9 HD2 TYR 9 1.673 -5.374 10.641 72 HE1 TYR 9 HE1 TYR 9 1.446 -9.082 7.414 73 HE2 TYR 9 HE2 TYR 9 1.534 -7.689 11.452 74 HH TYR 9 HH TYR 9 0.695 -9.867 10.615 75 H GLN 10 H GLN 10 0.231 -2.393 9.584 76 HA GLN 10 HA GLN 10 -1.412 -3.890 11.309 77 HB2 GLN 10 HB2 GLN 10 0.071 -2.105 12.084 78 HB3 GLN 10 HB3 GLN 10 -0.884 -0.911 11.224 79 HG2 GLN 10 HG2 GLN 10 -2.316 -2.567 13.204 80 HG3 GLN 10 HG3 GLN 10 -1.144 -1.411 13.832 81 HE21 GLN 10 HE21 GLN 10 -1.474 0.802 13.462 82 HE22 GLN 10 HE22 GLN 10 -3.034 1.431 13.042 83 H TRP 11 H TRP 11 -2.156 -1.195 9.128 84 HA TRP 11 HA TRP 11 -4.877 -0.932 9.614 85 HB2 TRP 11 HB2 TRP 11 -3.665 0.671 8.265 86 HB3 TRP 11 HB3 TRP 11 -3.308 -0.555 7.053 87 HD1 TRP 11 HD1 TRP 11 -6.375 1.345 8.482 88 HE1 TRP 11 HE1 TRP 11 -8.128 1.535 6.607 89 HE3 TRP 11 HE3 TRP 11 -4.003 -1.403 4.869 90 HZ2 TRP 11 HZ2 TRP 11 -8.447 0.656 3.942 91 HZ3 TRP 11 HZ3 TRP 11 -5.101 -1.672 2.681 92 HH2 TRP 11 HH2 TRP 11 -7.281 -0.662 2.232 93 H TYR 12 H TYR 12 -3.184 -3.181 7.483 94 HA TYR 12 HA TYR 12 -5.569 -4.310 6.395 95 HB2 TYR 12 HB2 TYR 12 -3.579 -4.494 5.090 96 HB3 TYR 12 HB3 TYR 12 -2.697 -5.232 6.423 97 HD1 TYR 12 HD2 TYR 12 -5.987 -5.959 4.791 98 HD2 TYR 12 HD1 TYR 12 -2.160 -7.421 5.941 99 HE1 TYR 12 HE2 TYR 12 -6.601 -8.187 3.969 100 HE2 TYR 12 HE1 TYR 12 -2.765 -9.659 5.124 101 HH TYR 12 HH TYR 12 -4.790 -10.965 4.675 102 H GLU 13 H GLU 13 -3.230 -5.433 8.833 103 HA GLU 13 HA GLU 13 -4.409 -7.945 9.233 104 HB2 GLU 13 HB2 GLU 13 -2.093 -7.317 9.875 105 HB3 GLU 13 HB3 GLU 13 -2.747 -6.358 11.195 106 HG2 GLU 13 HG2 GLU 13 -3.716 -8.388 12.170 107 HG3 GLU 13 HG3 GLU 13 -3.017 -9.337 10.860 108 H VAL 14 H VAL 14 -4.994 -4.851 10.826 109 HA VAL 14 HA VAL 14 -6.655 -6.068 12.857 110 HB VAL 14 HB VAL 14 -6.173 -3.141 12.258 111 HG11 VAL 14 HG11 VAL 14 -6.960 -2.739 14.535 112 HG12 VAL 14 HG12 VAL 14 -7.306 -4.459 14.722 113 HG13 VAL 14 HG13 VAL 14 -8.210 -3.499 13.551 114 HG21 VAL 14 HG21 VAL 14 -4.577 -3.214 14.100 115 HG22 VAL 14 HG22 VAL 14 -4.109 -4.314 12.803 116 HG23 VAL 14 HG23 VAL 14 -4.849 -4.947 14.274 117 H ASN 15 H ASN 15 -7.135 -4.918 9.675 118 HA ASN 15 HA ASN 15 -9.994 -4.451 10.234 119 HB2 ASN 15 HB2 ASN 15 -8.167 -3.082 8.280 120 HB3 ASN 15 HB3 ASN 15 -9.914 -3.059 8.071 121 HD21 ASN 15 HD21 ASN 15 -8.062 -0.871 8.572 122 HD22 ASN 15 HD22 ASN 15 -8.616 -0.089 10.013 123 H LYS 16 H LYS 16 -7.944 -5.261 7.408 124 HA LYS 16 HA LYS 16 -10.330 -6.293 6.115 125 HB2 LYS 16 HB2 LYS 16 -7.552 -6.151 4.961 126 HB3 LYS 16 HB3 LYS 16 -9.078 -6.241 4.093 127 HG2 LYS 16 HG2 LYS 16 -8.066 -3.916 5.716 128 HG3 LYS 16 HG3 LYS 16 -8.180 -4.012 3.958 129 HD2 LYS 16 HD2 LYS 16 -10.593 -4.128 4.082 130 HD3 LYS 16 HD3 LYS 16 -10.531 -4.178 5.844 131 HE2 LYS 16 HE2 LYS 16 -9.522 -1.939 5.857 132 HE3 LYS 16 HE3 LYS 16 -9.625 -1.891 4.097 133 HZ1 LYS 16 HZ1 LYS 16 -11.931 -2.110 5.960 134 HZ2 LYS 16 HZ2 LYS 16 -12.028 -2.059 4.270 135 HZ3 LYS 16 HZ3 LYS 16 -11.465 -0.708 5.123 136 H LEU 17 H LEU 17 -7.692 -7.566 7.822 137 HA LEU 17 HA LEU 17 -7.068 -9.897 6.461 138 HB2 LEU 17 HB2 LEU 17 -5.840 -8.923 8.400 139 HB3 LEU 17 HB3 LEU 17 -7.089 -9.555 9.455 140 HG LEU 17 HG LEU 17 -6.500 -11.860 8.626 141 HD11 LEU 17 HD11 LEU 17 -4.180 -10.369 7.419 142 HD12 LEU 17 HD12 LEU 17 -5.434 -11.249 6.544 143 HD13 LEU 17 HD13 LEU 17 -4.295 -12.121 7.573 144 HD21 LEU 17 HD21 LEU 17 -4.518 -12.046 10.022 145 HD22 LEU 17 HD22 LEU 17 -5.714 -10.989 10.774 146 HD23 LEU 17 HD23 LEU 17 -4.304 -10.296 9.972 147 HA PRO 18 HA PRO 18 -10.167 -12.386 9.253 148 HB2 PRO 18 HB2 PRO 18 -12.324 -11.011 10.230 149 HB3 PRO 18 HB3 PRO 18 -10.827 -11.278 11.131 150 HG2 PRO 18 HG2 PRO 18 -11.702 -8.874 9.580 151 HG3 PRO 18 HG3 PRO 18 -10.920 -8.957 11.170 152 HD2 PRO 18 HD2 PRO 18 -9.531 -8.358 8.962 153 HD3 PRO 18 HD3 PRO 18 -8.828 -9.338 10.265 154 H HIS 19 H HIS 19 -10.896 -10.250 6.756 155 HA HIS 19 HA HIS 19 -13.523 -11.476 6.261 156 HB2 HIS 19 HB2 HIS 19 -12.332 -9.027 4.945 157 HB3 HIS 19 HB3 HIS 19 -13.983 -9.614 4.771 158 HD2 HIS 19 HD2 HIS 19 -11.820 -7.484 7.106 159 HE1 HIS 19 HE1 HIS 19 -15.693 -7.730 8.783 160 HE2 HIS 19 HE2 HIS 19 -13.494 -6.456 8.795 161 H VAL 20 H VAL 20 -10.313 -11.695 5.263 162 HA VAL 20 HA VAL 20 -11.140 -12.679 2.608 163 HB VAL 20 HB VAL 20 -9.007 -11.986 1.696 164 HG11 VAL 20 HG11 VAL 20 -9.257 -9.543 1.842 165 HG12 VAL 20 HG12 VAL 20 -10.354 -9.749 3.208 166 HG13 VAL 20 HG13 VAL 20 -10.804 -10.360 1.616 167 HG21 VAL 20 HG21 VAL 20 -7.406 -10.672 3.012 168 HG22 VAL 20 HG22 VAL 20 -7.615 -12.295 3.666 169 HG23 VAL 20 HG23 VAL 20 -8.392 -10.922 4.454 170 H SER 21 H SER 21 -9.224 -14.037 1.660 171 HA SER 21 HA SER 21 -8.287 -15.930 3.714 172 HB2 SER 21 HB2 SER 21 -9.050 -16.542 0.848 173 HB3 SER 21 HB3 SER 21 -8.545 -17.708 2.072 174 HG SER 21 HG SER 21 -10.499 -16.519 3.212 175 H GLU 22 H GLU 22 -6.497 -17.375 2.507 176 HA GLU 22 HA GLU 22 -4.181 -15.930 2.339 177 HB2 GLU 22 HB2 GLU 22 -4.908 -18.533 1.020 178 HB3 GLU 22 HB3 GLU 22 -3.273 -17.891 1.033 179 HG2 GLU 22 HG2 GLU 22 -4.916 -18.627 3.439 180 HG3 GLU 22 HG3 GLU 22 -3.588 -19.564 2.758 181 H SER 23 H SER 23 -6.426 -16.637 -0.267 182 HA SER 23 HA SER 23 -4.830 -16.011 -2.446 183 HB2 SER 23 HB2 SER 23 -7.808 -15.555 -2.170 184 HB3 SER 23 HB3 SER 23 -6.909 -15.764 -3.676 185 HG SER 23 HG SER 23 -8.049 -17.666 -2.509 186 H THR 24 H THR 24 -6.890 -13.851 -0.487 187 HA THR 24 HA THR 24 -6.049 -11.529 -1.981 188 HB THR 24 HB THR 24 -7.502 -11.625 0.670 189 HG1 THR 24 HG1 THR 24 -8.941 -11.056 -1.618 190 HG21 THR 24 HG21 THR 24 -7.320 -9.466 -1.438 191 HG22 THR 24 HG22 THR 24 -6.535 -9.438 0.143 192 HG23 THR 24 HG23 THR 24 -8.294 -9.394 0.029 193 H LYS 25 H LYS 25 -5.154 -13.174 0.983 194 HA LYS 25 HA LYS 25 -3.557 -11.237 2.191 195 HB2 LYS 25 HB2 LYS 25 -3.290 -14.243 2.134 196 HB3 LYS 25 HB3 LYS 25 -2.271 -13.210 3.126 197 HG2 LYS 25 HG2 LYS 25 -4.204 -12.412 4.339 198 HG3 LYS 25 HG3 LYS 25 -5.272 -13.353 3.301 199 HD2 LYS 25 HD2 LYS 25 -4.996 -14.532 5.367 200 HD3 LYS 25 HD3 LYS 25 -4.143 -15.419 4.108 201 HE2 LYS 25 HE2 LYS 25 -2.710 -13.442 5.847 202 HE3 LYS 25 HE3 LYS 25 -3.011 -15.081 6.409 203 HZ1 LYS 25 HZ1 LYS 25 -0.925 -15.212 5.458 204 HZ2 LYS 25 HZ2 LYS 25 -1.298 -14.174 4.177 205 HZ3 LYS 25 HZ3 LYS 25 -1.913 -15.761 4.196 206 H ARG 26 H ARG 26 -2.778 -13.563 -0.360 207 HA ARG 26 HA ARG 26 -0.042 -13.151 -0.571 208 HB2 ARG 26 HB2 ARG 26 -1.994 -13.610 -2.833 209 HB3 ARG 26 HB3 ARG 26 -0.256 -13.840 -2.922 210 HG2 ARG 26 HG2 ARG 26 -0.396 -15.624 -1.264 211 HG3 ARG 26 HG3 ARG 26 -2.142 -15.386 -1.158 212 HD2 ARG 26 HD2 ARG 26 -2.289 -15.881 -3.595 213 HD3 ARG 26 HD3 ARG 26 -0.573 -16.279 -3.569 214 HE ARG 26 HE ARG 26 -2.532 -17.737 -1.914 215 HH11 ARG 26 HH11 ARG 26 0.120 -17.686 -4.200 216 HH12 ARG 26 HH12 ARG 26 0.259 -19.418 -4.281 217 HH21 ARG 26 HH21 ARG 26 -2.351 -20.017 -2.007 218 HH22 ARG 26 HH22 ARG 26 -1.141 -20.737 -3.018 219 H HIS 27 H HIS 27 -2.682 -11.331 -2.091 220 HA HIS 27 HA HIS 27 -1.014 -9.595 -3.570 221 HB2 HIS 27 HB2 HIS 27 -3.877 -9.288 -2.654 222 HB3 HIS 27 HB3 HIS 27 -3.064 -8.131 -3.700 223 HD2 HIS 27 HD2 HIS 27 -4.730 -11.609 -3.843 224 HE1 HIS 27 HE1 HIS 27 -3.418 -10.584 -7.734 225 HE2 HIS 27 HE2 HIS 27 -4.618 -12.329 -6.336 226 H TYR 28 H TYR 28 -2.667 -9.178 -0.446 227 HA TYR 28 HA TYR 28 -1.766 -6.564 0.043 228 HB2 TYR 28 HB2 TYR 28 -2.859 -8.756 1.733 229 HB3 TYR 28 HB3 TYR 28 -2.083 -7.397 2.536 230 HD1 TYR 28 HD1 TYR 28 -3.025 -5.136 2.337 231 HD2 TYR 28 HD2 TYR 28 -5.013 -8.518 0.692 232 HE1 TYR 28 HE1 TYR 28 -5.109 -3.840 2.209 233 HE2 TYR 28 HE2 TYR 28 -7.103 -7.226 0.553 234 HH TYR 28 HH TYR 28 -8.144 -5.292 1.554 235 H GLU 29 H GLU 29 -0.401 -9.696 1.027 236 HA GLU 29 HA GLU 29 1.659 -8.650 2.631 237 HB2 GLU 29 HB2 GLU 29 1.372 -11.280 1.196 238 HB3 GLU 29 HB3 GLU 29 2.742 -10.913 2.235 239 HG2 GLU 29 HG2 GLU 29 1.268 -10.628 4.133 240 HG3 GLU 29 HG3 GLU 29 -0.140 -10.879 3.102 241 H SER 30 H SER 30 1.741 -9.708 -0.788 242 HA SER 30 HA SER 30 4.467 -9.024 -1.127 243 HB2 SER 30 HB2 SER 30 3.942 -9.168 -3.583 244 HB3 SER 30 HB3 SER 30 3.520 -10.601 -2.648 245 HG SER 30 HG SER 30 1.385 -10.046 -2.748 246 H ALA 31 H ALA 31 1.479 -7.219 -1.490 247 HA ALA 31 HA ALA 31 2.600 -4.917 -2.692 248 HB1 ALA 31 HB1 ALA 31 0.184 -5.345 -2.606 249 HB2 ALA 31 HB2 ALA 31 0.593 -3.768 -1.932 250 HB3 ALA 31 HB3 ALA 31 0.210 -5.113 -0.857 251 H TYR 32 H TYR 32 1.856 -5.697 0.685 252 HA TYR 32 HA TYR 32 3.019 -3.480 1.906 253 HB2 TYR 32 HB2 TYR 32 1.694 -4.773 3.311 254 HB3 TYR 32 HB3 TYR 32 2.395 -6.285 2.756 255 HD1 TYR 32 HD1 TYR 32 3.466 -3.186 4.586 256 HD2 TYR 32 HD2 TYR 32 3.732 -7.417 4.229 257 HE1 TYR 32 HE1 TYR 32 4.893 -3.263 6.587 258 HE2 TYR 32 HE2 TYR 32 5.159 -7.502 6.224 259 HH TYR 32 HH TYR 32 5.480 -4.964 8.373 260 H LYS 33 H LYS 33 4.440 -6.482 0.776 261 HA LYS 33 HA LYS 33 7.000 -6.127 1.914 262 HB2 LYS 33 HB2 LYS 33 6.000 -8.246 0.920 263 HB3 LYS 33 HB3 LYS 33 6.386 -7.583 -0.660 264 HG2 LYS 33 HG2 LYS 33 8.738 -7.572 -0.129 265 HG3 LYS 33 HG3 LYS 33 8.394 -8.107 1.518 266 HD2 LYS 33 HD2 LYS 33 7.336 -10.155 0.528 267 HD3 LYS 33 HD3 LYS 33 7.957 -9.636 -1.042 268 HE2 LYS 33 HE2 LYS 33 10.235 -9.699 -0.168 269 HE3 LYS 33 HE3 LYS 33 9.624 -10.183 1.413 270 HZ1 LYS 33 HZ1 LYS 33 8.686 -12.184 0.306 271 HZ2 LYS 33 HZ2 LYS 33 10.380 -12.111 0.295 272 HZ3 LYS 33 HZ3 LYS 33 9.507 -11.738 -1.113 273 H HIS 34 H HIS 34 5.673 -5.280 -1.283 274 HA HIS 34 HA HIS 34 8.018 -4.044 -2.271 275 HB2 HIS 34 HB2 HIS 34 5.139 -4.012 -3.015 276 HB3 HIS 34 HB3 HIS 34 6.135 -2.690 -3.611 277 HD1 HIS 34 HD1 HIS 34 7.519 -3.161 -5.655 278 HD2 HIS 34 HD2 HIS 34 6.058 -6.611 -3.862 279 HE1 HIS 34 HE1 HIS 34 8.116 -5.073 -7.199 280 H ILE 35 H ILE 35 5.305 -2.851 -0.374 281 HA ILE 35 HA ILE 35 6.006 -0.126 -0.358 282 HB ILE 35 HB ILE 35 4.537 -1.776 1.703 283 HG12 ILE 35 HG12 ILE 35 3.556 0.209 -0.358 284 HG13 ILE 35 HG13 ILE 35 3.477 -1.539 -0.533 285 HG21 ILE 35 HG21 ILE 35 3.782 0.353 2.659 286 HG22 ILE 35 HG22 ILE 35 4.844 1.223 1.549 287 HG23 ILE 35 HG23 ILE 35 5.532 0.166 2.782 288 HD11 ILE 35 HD11 ILE 35 1.337 -0.622 0.132 289 HD12 ILE 35 HD12 ILE 35 2.073 0.091 1.567 290 HD13 ILE 35 HD13 ILE 35 1.994 -1.661 1.397 291 H LYS 36 H LYS 36 6.767 -2.727 1.951 292 HA LYS 36 HA LYS 36 8.428 -1.157 3.609 293 HB2 LYS 36 HB2 LYS 36 7.393 -3.375 4.206 294 HB3 LYS 36 HB3 LYS 36 8.598 -4.146 3.184 295 HG2 LYS 36 HG2 LYS 36 10.378 -3.258 4.596 296 HG3 LYS 36 HG3 LYS 36 9.175 -2.455 5.604 297 HD2 LYS 36 HD2 LYS 36 9.883 -4.496 6.675 298 HD3 LYS 36 HD3 LYS 36 8.207 -4.661 6.151 299 HE2 LYS 36 HE2 LYS 36 8.883 -5.957 4.242 300 HE3 LYS 36 HE3 LYS 36 10.585 -5.677 4.605 301 HZ1 LYS 36 HZ1 LYS 36 8.680 -7.179 6.324 302 HZ2 LYS 36 HZ2 LYS 36 10.319 -6.916 6.658 303 HZ3 LYS 36 HZ3 LYS 36 9.867 -7.870 5.327 304 H ASP 37 H ASP 37 8.978 -2.855 0.639 305 HA ASP 37 HA ASP 37 11.808 -2.922 0.714 306 HB2 ASP 37 HB2 ASP 37 10.468 -4.343 -0.781 307 HB3 ASP 37 HB3 ASP 37 9.929 -2.916 -1.658 308 H HIS 38 H HIS 38 9.480 -0.601 -0.583 309 HA HIS 38 HA HIS 38 11.608 1.136 -1.526 310 HB2 HIS 38 HB2 HIS 38 8.612 1.249 -1.700 311 HB3 HIS 38 HB3 HIS 38 9.599 2.647 -2.114 312 HD1 HIS 38 HD1 HIS 38 10.065 2.796 -4.526 313 HD2 HIS 38 HD2 HIS 38 9.672 -1.155 -3.275 314 HE1 HIS 38 HE1 HIS 38 10.353 1.392 -6.597 315 HE2 HIS 38 HE2 HIS 38 10.343 -0.984 -5.766 316 H PHE 39 H PHE 39 9.172 1.081 1.001 317 HA PHE 39 HA PHE 39 10.522 3.375 2.269 318 HB2 PHE 39 HB2 PHE 39 7.584 2.667 2.488 319 HB3 PHE 39 HB3 PHE 39 8.384 4.059 3.208 320 HD1 PHE 39 HD2 PHE 39 9.490 5.726 1.566 321 HD2 PHE 39 HD1 PHE 39 6.564 2.853 0.427 322 HE1 PHE 39 HE2 PHE 39 8.969 7.056 -0.436 323 HE2 PHE 39 HE1 PHE 39 6.036 4.179 -1.577 324 HZ PHE 39 HZ PHE 39 7.237 6.285 -2.005 325 H ARG 40 H ARG 40 11.838 2.155 3.578 326 HA ARG 40 HA ARG 40 10.868 -0.167 4.952 327 HB2 ARG 40 HB2 ARG 40 13.462 1.348 5.279 328 HB3 ARG 40 HB3 ARG 40 13.111 -0.230 5.970 329 HG2 ARG 40 HG2 ARG 40 12.790 -1.098 3.662 330 HG3 ARG 40 HG3 ARG 40 13.338 0.464 3.053 331 HD2 ARG 40 HD2 ARG 40 15.124 -1.245 3.110 332 HD3 ARG 40 HD3 ARG 40 15.488 0.173 4.090 333 HE ARG 40 HE ARG 40 15.548 -1.168 5.931 334 HH11 ARG 40 HH11 ARG 40 13.781 -2.849 3.419 335 HH12 ARG 40 HH12 ARG 40 13.635 -4.326 4.318 336 HH21 ARG 40 HH21 ARG 40 15.385 -3.100 7.115 337 HH22 ARG 40 HH22 ARG 40 14.538 -4.464 6.444 338 H HIS 41 H HIS 41 12.006 3.030 6.005 339 HA HIS 41 HA HIS 41 10.235 2.765 8.333 340 HB2 HIS 41 HB2 HIS 41 13.066 2.785 8.435 341 HB3 HIS 41 HB3 HIS 41 12.517 4.342 9.054 342 HD1 HIS 41 HD1 HIS 41 12.679 4.104 11.530 343 HD2 HIS 41 HD2 HIS 41 10.882 0.807 9.735 344 HE1 HIS 41 HE1 HIS 41 11.872 2.652 13.422 345 HE2 HIS 41 HE2 HIS 41 10.579 0.799 12.303 346 H LYS 42 H LYS 42 10.199 4.118 5.691 347 HA LYS 42 HA LYS 42 10.346 6.922 6.074 348 HB2 LYS 42 HB2 LYS 42 10.194 5.469 3.900 349 HB3 LYS 42 HB3 LYS 42 8.462 5.594 4.151 350 HG2 LYS 42 HG2 LYS 42 9.086 7.270 2.602 351 HG3 LYS 42 HG3 LYS 42 8.721 8.080 4.127 352 HD2 LYS 42 HD2 LYS 42 10.884 8.680 4.484 353 HD3 LYS 42 HD3 LYS 42 11.528 7.260 3.660 354 HE2 LYS 42 HE2 LYS 42 11.991 9.336 2.428 355 HE3 LYS 42 HE3 LYS 42 10.984 8.224 1.505 356 HZ1 LYS 42 HZ1 LYS 42 10.135 10.436 1.288 357 HZ2 LYS 42 HZ2 LYS 42 10.068 10.642 2.973 358 HZ3 LYS 42 HZ3 LYS 42 9.041 9.537 2.208 359 H LEU 43 H LEU 43 8.984 8.223 7.143 360 HA LEU 43 HA LEU 43 6.824 7.239 8.654 361 HB2 LEU 43 HB2 LEU 43 7.378 10.098 7.852 362 HB3 LEU 43 HB3 LEU 43 6.341 9.581 9.167 363 HG LEU 43 HG LEU 43 9.332 9.183 9.027 364 HD11 LEU 43 HD11 LEU 43 7.649 11.056 10.685 365 HD12 LEU 43 HD12 LEU 43 8.715 11.511 9.355 366 HD13 LEU 43 HD13 LEU 43 9.391 10.830 10.836 367 HD21 LEU 43 HD21 LEU 43 9.106 8.453 11.363 368 HD22 LEU 43 HD22 LEU 43 8.251 7.381 10.254 369 HD23 LEU 43 HD23 LEU 43 7.352 8.553 11.219 370 H LEU 44 H LEU 44 4.599 7.481 8.431 371 HA LEU 44 HA LEU 44 3.488 7.034 5.937 372 HB2 LEU 44 HB2 LEU 44 2.372 6.489 8.034 373 HB3 LEU 44 HB3 LEU 44 2.195 8.192 8.408 374 HG LEU 44 HG LEU 44 0.738 8.398 6.368 375 HD11 LEU 44 HD11 LEU 44 -0.229 6.355 5.456 376 HD12 LEU 44 HD12 LEU 44 0.841 5.389 6.471 377 HD13 LEU 44 HD13 LEU 44 1.515 6.403 5.194 378 HD21 LEU 44 HD21 LEU 44 -0.190 6.473 8.492 379 HD22 LEU 44 HD22 LEU 44 -1.218 7.458 7.451 380 HD23 LEU 44 HD23 LEU 44 -0.169 8.231 8.641 381 H LYS 45 H LYS 45 3.747 10.077 7.714 382 HA LYS 45 HA LYS 45 2.355 11.600 5.716 383 HB2 LYS 45 HB2 LYS 45 3.032 13.547 7.099 384 HB3 LYS 45 HB3 LYS 45 2.221 12.292 8.031 385 HG2 LYS 45 HG2 LYS 45 4.171 11.643 9.104 386 HG3 LYS 45 HG3 LYS 45 5.207 12.360 7.868 387 HD2 LYS 45 HD2 LYS 45 3.505 13.877 9.848 388 HD3 LYS 45 HD3 LYS 45 5.255 13.656 9.941 389 HE2 LYS 45 HE2 LYS 45 5.425 14.774 7.709 390 HE3 LYS 45 HE3 LYS 45 3.707 15.148 7.828 391 HZ1 LYS 45 HZ1 LYS 45 4.364 16.205 10.057 392 HZ2 LYS 45 HZ2 LYS 45 4.724 17.041 8.631 393 HZ3 LYS 45 HZ3 LYS 45 5.947 16.188 9.443 394 H ASP 46 H ASP 46 5.381 10.277 5.692 395 HA ASP 46 HA ASP 46 6.697 12.668 4.613 396 HB2 ASP 46 HB2 ASP 46 7.724 11.292 6.523 397 HB3 ASP 46 HB3 ASP 46 8.073 10.074 5.301 398 H ILE 47 H ILE 47 5.133 9.906 3.559 399 HA ILE 47 HA ILE 47 6.695 9.238 1.294 400 HB ILE 47 HB ILE 47 3.842 8.728 2.061 401 HG12 ILE 47 HG12 ILE 47 4.508 6.386 1.702 402 HG13 ILE 47 HG13 ILE 47 6.079 6.919 1.125 403 HG21 ILE 47 HG21 ILE 47 3.421 7.605 -0.093 404 HG22 ILE 47 HG22 ILE 47 4.942 8.251 -0.709 405 HG23 ILE 47 HG23 ILE 47 3.629 9.346 -0.274 406 HD11 ILE 47 HD11 ILE 47 4.998 7.243 3.905 407 HD12 ILE 47 HD12 ILE 47 6.553 7.848 3.333 408 HD13 ILE 47 HD13 ILE 47 6.246 6.113 3.373 409 H LYS 48 H LYS 48 7.256 10.642 -0.198 410 HA LYS 48 HA LYS 48 5.588 12.918 -0.791 411 HB2 LYS 48 HB2 LYS 48 8.210 12.023 -2.011 412 HB3 LYS 48 HB3 LYS 48 7.430 13.578 -2.282 413 HG2 LYS 48 HG2 LYS 48 7.740 14.224 -0.012 414 HG3 LYS 48 HG3 LYS 48 8.272 12.605 0.436 415 HD2 LYS 48 HD2 LYS 48 10.185 14.046 0.303 416 HD3 LYS 48 HD3 LYS 48 10.246 12.902 -1.037 417 HE2 LYS 48 HE2 LYS 48 9.528 14.557 -2.584 418 HE3 LYS 48 HE3 LYS 48 9.129 15.683 -1.285 419 HZ1 LYS 48 HZ1 LYS 48 11.254 16.176 -2.418 420 HZ2 LYS 48 HZ2 LYS 48 11.874 14.704 -1.839 421 HZ3 LYS 48 HZ3 LYS 48 11.423 15.917 -0.748 422 H ARG 49 H ARG 49 4.629 13.369 -2.755 423 HA ARG 49 HA ARG 49 3.299 11.193 -3.935 424 HB2 ARG 49 HB2 ARG 49 3.576 13.962 -5.111 425 HB3 ARG 49 HB3 ARG 49 2.256 12.820 -5.356 426 HG2 ARG 49 HG2 ARG 49 1.572 13.039 -3.070 427 HG3 ARG 49 HG3 ARG 49 2.968 14.050 -2.706 428 HD2 ARG 49 HD2 ARG 49 1.981 15.558 -4.609 429 HD3 ARG 49 HD3 ARG 49 0.485 14.708 -4.222 430 HE ARG 49 HE ARG 49 2.007 16.018 -2.080 431 HH11 ARG 49 HH11 ARG 49 -0.940 15.785 -3.976 432 HH12 ARG 49 HH12 ARG 49 -1.785 16.954 -3.011 433 HH21 ARG 49 HH21 ARG 49 0.852 17.529 -0.803 434 HH22 ARG 49 HH22 ARG 49 -0.791 17.919 -1.219 435 H THR 50 H THR 50 6.176 12.938 -4.825 436 HA THR 50 HA THR 50 6.449 11.887 -7.442 437 HB THR 50 HB THR 50 8.858 12.647 -5.862 438 HG1 THR 50 HG1 THR 50 7.409 14.800 -6.843 439 HG21 THR 50 HG21 THR 50 9.038 12.163 -8.252 440 HG22 THR 50 HG22 THR 50 9.378 13.865 -7.942 441 HG23 THR 50 HG23 THR 50 7.812 13.384 -8.602 442 H GLU 51 H GLU 51 7.270 10.725 -4.253 443 HA GLU 51 HA GLU 51 8.999 8.606 -5.133 444 HB2 GLU 51 HB2 GLU 51 7.521 8.915 -2.513 445 HB3 GLU 51 HB3 GLU 51 8.825 7.782 -2.833 446 HG2 GLU 51 HG2 GLU 51 10.340 9.684 -3.215 447 HG3 GLU 51 HG3 GLU 51 9.027 10.781 -2.787 448 H TYR 52 H TYR 52 5.651 8.882 -4.046 449 HA TYR 52 HA TYR 52 4.969 6.176 -4.266 450 HB2 TYR 52 HB2 TYR 52 3.574 7.782 -3.058 451 HB3 TYR 52 HB3 TYR 52 3.199 8.613 -4.564 452 HD1 TYR 52 HD1 TYR 52 3.222 5.010 -3.565 453 HD2 TYR 52 HD2 TYR 52 0.989 8.275 -5.129 454 HE1 TYR 52 HE1 TYR 52 1.302 3.517 -3.920 455 HE2 TYR 52 HE2 TYR 52 -0.937 6.792 -5.488 456 HH TYR 52 HH TYR 52 -1.114 3.651 -4.178 457 H GLN 53 H GLN 53 4.944 8.786 -6.638 458 HA GLN 53 HA GLN 53 3.758 7.508 -8.801 459 HB2 GLN 53 HB2 GLN 53 4.839 9.902 -8.509 460 HB3 GLN 53 HB3 GLN 53 6.253 9.126 -9.199 461 HG2 GLN 53 HG2 GLN 53 3.542 9.271 -10.499 462 HG3 GLN 53 HG3 GLN 53 4.904 10.322 -10.865 463 HE21 GLN 53 HE21 GLN 53 3.486 7.218 -11.279 464 HE22 GLN 53 HE22 GLN 53 4.612 6.611 -12.442 465 H LYS 54 H LYS 54 7.203 7.507 -7.880 466 HA LYS 54 HA LYS 54 8.105 5.708 -9.828 467 HB2 LYS 54 HB2 LYS 54 9.161 6.427 -7.101 468 HB3 LYS 54 HB3 LYS 54 9.984 5.279 -8.146 469 HG2 LYS 54 HG2 LYS 54 10.184 7.025 -9.869 470 HG3 LYS 54 HG3 LYS 54 9.425 8.174 -8.760 471 HD2 LYS 54 HD2 LYS 54 11.905 6.623 -8.045 472 HD3 LYS 54 HD3 LYS 54 11.969 8.191 -8.854 473 HE2 LYS 54 HE2 LYS 54 10.439 7.797 -6.302 474 HE3 LYS 54 HE3 LYS 54 12.169 8.137 -6.296 475 HZ1 LYS 54 HZ1 LYS 54 10.756 10.142 -6.088 476 HZ2 LYS 54 HZ2 LYS 54 10.155 9.849 -7.648 477 HZ3 LYS 54 HZ3 LYS 54 11.800 10.184 -7.421 478 H PHE 55 H PHE 55 6.853 5.163 -6.581 479 HA PHE 55 HA PHE 55 7.477 2.478 -6.267 480 HB2 PHE 55 HB2 PHE 55 6.625 3.750 -4.417 481 HB3 PHE 55 HB3 PHE 55 5.114 4.063 -5.264 482 HD1 PHE 55 HD1 PHE 55 7.171 1.249 -3.942 483 HD2 PHE 55 HD2 PHE 55 3.282 2.718 -4.864 484 HE1 PHE 55 HE1 PHE 55 6.174 -0.755 -2.921 485 HE2 PHE 55 HE2 PHE 55 2.283 0.715 -3.841 486 HZ PHE 55 HZ PHE 55 3.728 -1.021 -2.868 487 H LEU 56 H LEU 56 4.617 3.932 -7.787 488 HA LEU 56 HA LEU 56 3.388 1.416 -8.330 489 HB2 LEU 56 HB2 LEU 56 2.861 4.193 -9.367 490 HB3 LEU 56 HB3 LEU 56 1.912 2.799 -9.847 491 HG LEU 56 HG LEU 56 2.174 3.867 -7.034 492 HD11 LEU 56 HD11 LEU 56 -0.208 4.402 -7.295 493 HD12 LEU 56 HD12 LEU 56 -0.118 3.912 -8.989 494 HD13 LEU 56 HD13 LEU 56 0.809 5.301 -8.420 495 HD21 LEU 56 HD21 LEU 56 1.930 1.431 -7.084 496 HD22 LEU 56 HD22 LEU 56 0.500 1.600 -8.106 497 HD23 LEU 56 HD23 LEU 56 0.484 2.217 -6.453 498 H ASN 57 H ASN 57 5.542 3.539 -10.119 499 HA ASN 57 HA ASN 57 5.264 2.394 -12.662 500 HB2 ASN 57 HB2 ASN 57 7.679 3.655 -11.355 501 HB3 ASN 57 HB3 ASN 57 7.634 3.171 -13.044 502 HD21 ASN 57 HD21 ASN 57 8.055 5.782 -11.935 503 HD22 ASN 57 HD22 ASN 57 6.792 6.799 -12.546 504 H GLU 58 H GLU 58 7.542 1.606 -10.054 505 HA GLU 58 HA GLU 58 8.802 -0.506 -11.466 506 HB2 GLU 58 HB2 GLU 58 8.687 -0.117 -8.473 507 HB3 GLU 58 HB3 GLU 58 9.894 -1.020 -9.376 508 HG2 GLU 58 HG2 GLU 58 9.453 1.955 -9.478 509 HG3 GLU 58 HG3 GLU 58 10.771 1.118 -8.660 510 H TYR 59 H TYR 59 6.016 -0.334 -9.362 511 HA TYR 59 HA TYR 59 5.790 -3.162 -8.975 512 HB2 TYR 59 HB2 TYR 59 4.806 -1.333 -7.487 513 HB3 TYR 59 HB3 TYR 59 3.559 -1.141 -8.714 514 HD1 TYR 59 HD2 TYR 59 4.941 -3.394 -6.149 515 HD2 TYR 59 HD1 TYR 59 1.797 -2.764 -8.954 516 HE1 TYR 59 HE2 TYR 59 3.649 -5.197 -5.102 517 HE2 TYR 59 HE1 TYR 59 0.496 -4.569 -7.906 518 HH TYR 59 HH TYR 59 1.271 -5.893 -4.903 519 H GLY 60 H GLY 60 4.534 -0.813 -11.259 520 HA2 GLY 60 HA2 GLY 60 2.766 -2.683 -12.561 521 HA3 GLY 60 HA3 GLY 60 3.144 -1.050 -13.088 522 H LEU 61 H LEU 61 6.076 -2.307 -12.618 523 HA LEU 61 HA LEU 61 6.387 -3.136 -15.391 524 HB2 LEU 61 HB2 LEU 61 8.385 -2.721 -13.167 525 HB3 LEU 61 HB3 LEU 61 8.818 -3.266 -14.774 526 HG LEU 61 HG LEU 61 7.557 -0.602 -14.122 527 HD11 LEU 61 HD11 LEU 61 10.382 -1.320 -14.892 528 HD12 LEU 61 HD12 LEU 61 9.845 -0.760 -13.309 529 HD13 LEU 61 HD13 LEU 61 9.751 0.314 -14.704 530 HD21 LEU 61 HD21 LEU 61 6.935 -1.410 -16.335 531 HD22 LEU 61 HD22 LEU 61 8.634 -1.704 -16.714 532 HD23 LEU 61 HD23 LEU 61 8.061 -0.057 -16.454 533 H THR 62 H THR 62 5.856 -4.537 -12.364 534 HA THR 62 HA THR 62 7.042 -7.091 -13.224 535 HB THR 62 HB THR 62 7.119 -7.565 -10.700 536 HG1 THR 62 HG1 THR 62 7.287 -4.773 -10.379 537 HG21 THR 62 HG21 THR 62 9.123 -7.160 -12.042 538 HG22 THR 62 HG22 THR 62 9.271 -6.410 -10.452 539 HG23 THR 62 HG23 THR 62 8.900 -5.421 -11.863 540 H HIS 63 H HIS 63 4.236 -5.516 -11.829 541 HA HIS 63 HA HIS 63 2.936 -8.140 -11.539 542 HB2 HIS 63 HB2 HIS 63 2.484 -5.540 -10.078 543 HB3 HIS 63 HB3 HIS 63 1.384 -6.909 -9.964 544 HD1 HIS 63 HD1 HIS 63 5.085 -6.192 -9.349 545 HD2 HIS 63 HD2 HIS 63 1.999 -8.622 -7.978 546 HE1 HIS 63 HE1 HIS 63 6.033 -7.459 -7.393 547 HE2 HIS 63 HE2 HIS 63 4.193 -9.027 -6.681 548 H SER 64 H SER 64 0.710 -8.315 -12.072 549 HA SER 64 HA SER 64 0.068 -7.205 -14.574 550 HB2 SER 64 HB2 SER 64 -1.805 -8.568 -12.629 551 HB3 SER 64 HB3 SER 64 -1.980 -8.462 -14.382 552 HG SER 64 HG SER 64 -1.117 -10.458 -13.947 553 H TYR 65 H TYR 65 -2.028 -6.058 -15.040 554 HA TYR 65 HA TYR 65 -1.967 -3.545 -13.811 555 HB2 TYR 65 HB2 TYR 65 -2.753 -3.711 -16.071 556 HB3 TYR 65 HB3 TYR 65 -4.057 -4.799 -15.596 557 HD1 TYR 65 HD2 TYR 65 -2.803 -1.322 -15.106 558 HD2 TYR 65 HD1 TYR 65 -6.156 -3.942 -15.015 559 HE1 TYR 65 HE2 TYR 65 -4.291 0.602 -14.742 560 HE2 TYR 65 HE1 TYR 65 -7.647 -2.026 -14.649 561 HH TYR 65 HH TYR 65 -6.574 1.239 -14.971 562 H GLU 66 H GLU 66 -4.252 -6.240 -13.407 563 HA GLU 66 HA GLU 66 -6.010 -4.864 -11.689 564 HB2 GLU 66 HB2 GLU 66 -6.346 -7.116 -12.883 565 HB3 GLU 66 HB3 GLU 66 -5.489 -7.822 -11.519 566 HG2 GLU 66 HG2 GLU 66 -7.175 -6.884 -9.999 567 HG3 GLU 66 HG3 GLU 66 -8.043 -6.238 -11.393 568 H THR 67 H THR 67 -2.972 -6.465 -11.148 569 HA THR 67 HA THR 67 -3.179 -6.703 -8.324 570 HB THR 67 HB THR 67 -0.588 -6.495 -9.848 571 HG1 THR 67 HG1 THR 67 -2.314 -8.762 -9.625 572 HG21 THR 67 HG21 THR 67 -1.441 -8.123 -7.449 573 HG22 THR 67 HG22 THR 67 -0.463 -6.656 -7.403 574 HG23 THR 67 HG23 THR 67 0.169 -8.112 -8.171 575 H ILE 68 H ILE 68 -1.583 -4.338 -10.474 576 HA ILE 68 HA ILE 68 -0.755 -2.682 -8.302 577 HB ILE 68 HB ILE 68 0.446 -2.617 -10.428 578 HG12 ILE 68 HG12 ILE 68 -0.858 0.022 -9.727 579 HG13 ILE 68 HG13 ILE 68 0.565 -0.668 -8.954 580 HG21 ILE 68 HG21 ILE 68 -2.062 -1.388 -11.549 581 HG22 ILE 68 HG22 ILE 68 -1.360 -2.946 -11.987 582 HG23 ILE 68 HG23 ILE 68 -0.507 -1.453 -12.378 583 HD11 ILE 68 HD11 ILE 68 0.376 0.184 -11.833 584 HD12 ILE 68 HD12 ILE 68 1.806 -0.471 -11.036 585 HD13 ILE 68 HD13 ILE 68 1.150 1.089 -10.535 586 H ARG 69 H ARG 69 -3.569 -2.799 -10.384 587 HA ARG 69 HA ARG 69 -4.759 -0.360 -9.738 588 HB2 ARG 69 HB2 ARG 69 -5.726 -1.564 -11.508 589 HB3 ARG 69 HB3 ARG 69 -5.862 -3.034 -10.555 590 HG2 ARG 69 HG2 ARG 69 -7.586 -1.921 -9.174 591 HG3 ARG 69 HG3 ARG 69 -7.505 -0.532 -10.259 592 HD2 ARG 69 HD2 ARG 69 -8.487 -1.664 -11.998 593 HD3 ARG 69 HD3 ARG 69 -7.957 -3.240 -11.412 594 HE ARG 69 HE ARG 69 -9.768 -2.147 -9.559 595 HH11 ARG 69 HH11 ARG 69 -9.758 -3.338 -12.858 596 HH12 ARG 69 HH12 ARG 69 -11.346 -4.039 -12.747 597 HH21 ARG 69 HH21 ARG 69 -11.855 -3.075 -9.410 598 HH22 ARG 69 HH22 ARG 69 -12.536 -3.885 -10.792 599 H LYS 70 H LYS 70 -5.159 -3.543 -8.159 600 HA LYS 70 HA LYS 70 -6.917 -2.527 -6.178 601 HB2 LYS 70 HB2 LYS 70 -6.608 -4.649 -5.012 602 HB3 LYS 70 HB3 LYS 70 -6.892 -4.913 -6.724 603 HG2 LYS 70 HG2 LYS 70 -4.558 -5.372 -7.086 604 HG3 LYS 70 HG3 LYS 70 -4.186 -4.970 -5.406 605 HD2 LYS 70 HD2 LYS 70 -4.284 -7.367 -5.641 606 HD3 LYS 70 HD3 LYS 70 -5.665 -6.829 -4.688 607 HE2 LYS 70 HE2 LYS 70 -7.020 -6.887 -6.801 608 HE3 LYS 70 HE3 LYS 70 -5.639 -7.651 -7.586 609 HZ1 LYS 70 HZ1 LYS 70 -7.231 -8.716 -5.320 610 HZ2 LYS 70 HZ2 LYS 70 -5.783 -9.409 -5.852 611 HZ3 LYS 70 HZ3 LYS 70 -7.122 -9.358 -6.887 612 H LEU 71 H LEU 71 -3.421 -2.941 -6.344 613 HA LEU 71 HA LEU 71 -2.789 -2.321 -3.691 614 HB2 LEU 71 HB2 LEU 71 -1.077 -3.135 -5.141 615 HB3 LEU 71 HB3 LEU 71 -1.305 -1.808 -6.263 616 HG LEU 71 HG LEU 71 -0.441 -0.240 -4.554 617 HD11 LEU 71 HD11 LEU 71 0.684 -1.122 -2.573 618 HD12 LEU 71 HD12 LEU 71 0.137 -2.747 -2.984 619 HD13 LEU 71 HD13 LEU 71 -1.040 -1.503 -2.557 620 HD21 LEU 71 HD21 LEU 71 1.045 -1.174 -6.247 621 HD22 LEU 71 HD22 LEU 71 1.393 -2.542 -5.190 622 HD23 LEU 71 HD23 LEU 71 1.891 -0.918 -4.721 623 H ASN 72 H ASN 72 -3.077 -0.179 -6.516 624 HA ASN 72 HA ASN 72 -2.695 2.283 -5.322 625 HB2 ASN 72 HB2 ASN 72 -2.961 2.088 -7.717 626 HB3 ASN 72 HB3 ASN 72 -4.601 1.482 -7.536 627 HD21 ASN 72 HD21 ASN 72 -5.497 3.059 -8.797 628 HD22 ASN 72 HD22 ASN 72 -5.615 4.712 -8.310 629 H SER 73 H SER 73 -5.675 0.375 -5.521 630 HA SER 73 HA SER 73 -7.368 2.194 -4.229 631 HB2 SER 73 HB2 SER 73 -8.130 0.182 -5.490 632 HB3 SER 73 HB3 SER 73 -7.544 -0.827 -4.169 633 HG SER 73 HG SER 73 -9.010 0.671 -2.859 634 H TYR 74 H TYR 74 -5.358 -0.439 -2.929 635 HA TYR 74 HA TYR 74 -6.177 -0.199 -0.249 636 HB2 TYR 74 HB2 TYR 74 -3.461 -1.084 -1.248 637 HB3 TYR 74 HB3 TYR 74 -4.149 -1.424 0.333 638 HD1 TYR 74 HD1 TYR 74 -6.981 -2.062 -0.730 639 HD2 TYR 74 HD2 TYR 74 -3.092 -3.339 -1.892 640 HE1 TYR 74 HE1 TYR 74 -7.936 -4.151 -1.609 641 HE2 TYR 74 HE2 TYR 74 -4.033 -5.426 -2.779 642 HH TYR 74 HH TYR 74 -7.446 -5.913 -3.114 643 H ILE 75 H ILE 75 -3.489 1.292 -2.023 644 HA ILE 75 HA ILE 75 -2.350 2.736 0.084 645 HB ILE 75 HB ILE 75 -2.543 3.653 -2.790 646 HG12 ILE 75 HG12 ILE 75 -1.637 1.355 -2.633 647 HG13 ILE 75 HG13 ILE 75 -0.422 2.507 -3.172 648 HG21 ILE 75 HG21 ILE 75 -0.443 4.835 -2.281 649 HG22 ILE 75 HG22 ILE 75 -0.578 4.312 -0.601 650 HG23 ILE 75 HG23 ILE 75 -1.790 5.393 -1.290 651 HD11 ILE 75 HD11 ILE 75 0.521 0.937 -1.607 652 HD12 ILE 75 HD12 ILE 75 -0.692 1.372 -0.403 653 HD13 ILE 75 HD13 ILE 75 0.509 2.558 -0.913 654 H ARG 76 H ARG 76 -4.849 3.685 -2.247 655 HA ARG 76 HA ARG 76 -5.313 6.267 -1.289 656 HB2 ARG 76 HB2 ARG 76 -7.137 4.325 -2.706 657 HB3 ARG 76 HB3 ARG 76 -7.580 5.993 -2.370 658 HG2 ARG 76 HG2 ARG 76 -5.785 6.805 -3.745 659 HG3 ARG 76 HG3 ARG 76 -5.169 5.169 -3.971 660 HD2 ARG 76 HD2 ARG 76 -6.415 5.937 -5.927 661 HD3 ARG 76 HD3 ARG 76 -7.193 4.552 -5.164 662 HE ARG 76 HE ARG 76 -8.338 6.882 -4.114 663 HH11 ARG 76 HH11 ARG 76 -8.093 5.258 -7.213 664 HH12 ARG 76 HH12 ARG 76 -9.677 5.740 -7.743 665 HH21 ARG 76 HH21 ARG 76 -10.422 7.523 -4.813 666 HH22 ARG 76 HH22 ARG 76 -10.995 7.027 -6.381 667 H ASN 77 H ASN 77 -6.958 3.214 -0.466 668 HA ASN 77 HA ASN 77 -8.750 4.356 1.385 669 HB2 ASN 77 HB2 ASN 77 -7.795 1.566 0.880 670 HB3 ASN 77 HB3 ASN 77 -8.752 1.911 2.315 671 HD21 ASN 77 HD21 ASN 77 -10.880 2.576 2.094 672 HD22 ASN 77 HD22 ASN 77 -11.763 2.354 0.623 673 H ALA 78 H ALA 78 -5.522 2.963 1.801 674 HA ALA 78 HA ALA 78 -5.491 2.986 4.616 675 HB1 ALA 78 HB1 ALA 78 -3.064 2.822 4.421 676 HB2 ALA 78 HB2 ALA 78 -3.166 3.252 2.714 677 HB3 ALA 78 HB3 ALA 78 -3.868 1.739 3.283 678 H PHE 79 H PHE 79 -4.361 5.407 2.257 679 HA PHE 79 HA PHE 79 -3.560 7.262 4.266 680 HB2 PHE 79 HB2 PHE 79 -3.934 7.430 1.301 681 HB3 PHE 79 HB3 PHE 79 -3.724 8.906 2.239 682 HD1 PHE 79 HD2 PHE 79 -1.659 9.204 3.599 683 HD2 PHE 79 HD1 PHE 79 -2.099 6.046 0.781 684 HE1 PHE 79 HE2 PHE 79 0.782 8.881 3.589 685 HE2 PHE 79 HE1 PHE 79 0.338 5.714 0.766 686 HZ PHE 79 HZ PHE 79 1.782 7.133 2.172 687 H ASP 80 H ASP 80 -6.514 6.814 2.382 688 HA ASP 80 HA ASP 80 -7.811 9.186 3.192 689 HB2 ASP 80 HB2 ASP 80 -8.577 7.743 1.320 690 HB3 ASP 80 HB3 ASP 80 -9.078 6.528 2.491 691 H ASP 81 H ASP 81 -7.551 6.002 4.624 692 HA ASP 81 HA ASP 81 -9.391 6.300 6.727 693 HB2 ASP 81 HB2 ASP 81 -8.060 4.210 5.915 694 HB3 ASP 81 HB3 ASP 81 -6.804 4.781 7.008 695 H ALA 82 H ALA 82 -5.897 6.890 6.567 696 HA ALA 82 HA ALA 82 -5.600 8.013 9.135 697 HB1 ALA 82 HB1 ALA 82 -3.470 8.878 8.307 698 HB2 ALA 82 HB2 ALA 82 -3.951 8.491 6.655 699 HB3 ALA 82 HB3 ALA 82 -3.709 7.197 7.828 700 H ILE 83 H ILE 83 -6.404 9.442 6.002 701 HA ILE 83 HA ILE 83 -6.343 12.152 6.703 702 HB ILE 83 HB ILE 83 -8.017 10.631 4.713 703 HG12 ILE 83 HG12 ILE 83 -5.613 10.886 4.253 704 HG13 ILE 83 HG13 ILE 83 -6.605 11.732 3.069 705 HG21 ILE 83 HG21 ILE 83 -8.749 12.781 3.769 706 HG22 ILE 83 HG22 ILE 83 -8.028 13.615 5.146 707 HG23 ILE 83 HG23 ILE 83 -9.380 12.507 5.396 708 HD11 ILE 83 HD11 ILE 83 -5.135 12.976 5.378 709 HD12 ILE 83 HD12 ILE 83 -6.158 13.841 4.231 710 HD13 ILE 83 HD13 ILE 83 -4.681 13.052 3.675 711 H HIS 84 H HIS 84 -8.957 9.780 6.915 712 HA HIS 84 HA HIS 84 -10.955 11.546 7.794 713 HB2 HIS 84 HB2 HIS 84 -11.319 9.255 6.852 714 HB3 HIS 84 HB3 HIS 84 -10.756 8.588 8.381 715 HD1 HIS 84 HD1 HIS 84 -12.734 7.744 9.598 716 HD2 HIS 84 HD2 HIS 84 -13.489 11.366 7.697 717 HE1 HIS 84 HE1 HIS 84 -15.083 8.373 10.242 718 HE2 HIS 84 HE2 HIS 84 -15.589 10.448 8.903 719 H GLU 85 H GLU 85 -8.614 9.584 9.560 720 HA GLU 85 HA GLU 85 -9.646 10.329 12.134 721 HB2 GLU 85 HB2 GLU 85 -7.014 9.045 11.383 722 HB3 GLU 85 HB3 GLU 85 -7.661 9.169 13.013 723 HG2 GLU 85 HG2 GLU 85 -8.851 7.615 10.725 724 HG3 GLU 85 HG3 GLU 85 -8.023 6.953 12.134 725 H GLY 86 H GLY 86 -7.617 11.797 9.841 726 HA2 GLY 86 HA2 GLY 86 -6.743 13.952 9.905 727 HA3 GLY 86 HA3 GLY 86 -7.124 14.028 11.621 728 H TYR 87 H TYR 87 -5.351 11.385 10.244 729 HA TYR 87 HA TYR 87 -3.157 12.007 12.056 730 HB2 TYR 87 HB2 TYR 87 -4.211 9.764 12.077 731 HB3 TYR 87 HB3 TYR 87 -3.685 9.521 10.415 732 HD1 TYR 87 HD2 TYR 87 -2.007 10.790 13.503 733 HD2 TYR 87 HD1 TYR 87 -1.992 7.986 10.306 734 HE1 TYR 87 HE2 TYR 87 0.130 9.886 14.321 735 HE2 TYR 87 HE1 TYR 87 0.145 7.070 11.112 736 HH TYR 87 HH TYR 87 1.384 7.727 14.172 737 H VAL 88 H VAL 88 -3.829 11.834 8.633 738 HA VAL 88 HA VAL 88 -1.049 12.670 8.153 739 HB VAL 88 HB VAL 88 -1.588 10.364 7.263 740 HG11 VAL 88 HG11 VAL 88 -3.319 11.926 5.360 741 HG12 VAL 88 HG12 VAL 88 -3.845 10.696 6.512 742 HG13 VAL 88 HG13 VAL 88 -2.831 10.247 5.140 743 HG21 VAL 88 HG21 VAL 88 -0.462 10.733 5.113 744 HG22 VAL 88 HG22 VAL 88 0.302 11.624 6.430 745 HG23 VAL 88 HG23 VAL 88 -0.736 12.467 5.279 746 H ILE 89 H ILE 89 -0.757 14.209 6.443 747 HA ILE 89 HA ILE 89 -2.773 16.211 6.592 748 HB ILE 89 HB ILE 89 -0.501 16.916 6.696 749 HG12 ILE 89 HG12 ILE 89 -1.654 17.765 4.031 750 HG13 ILE 89 HG13 ILE 89 -2.102 18.441 5.593 751 HG21 ILE 89 HG21 ILE 89 0.553 15.110 5.465 752 HG22 ILE 89 HG22 ILE 89 1.075 16.673 4.836 753 HG23 ILE 89 HG23 ILE 89 -0.121 15.719 3.954 754 HD11 ILE 89 HD11 ILE 89 -0.562 19.898 4.429 755 HD12 ILE 89 HD12 ILE 89 0.615 18.589 4.308 756 HD13 ILE 89 HD13 ILE 89 0.191 19.249 5.888 757 H LYS 90 H LYS 90 -1.469 14.292 3.864 758 HA LYS 90 HA LYS 90 -3.924 14.711 2.381 759 HB2 LYS 90 HB2 LYS 90 -1.317 15.970 1.594 760 HB3 LYS 90 HB3 LYS 90 -2.446 15.451 0.349 761 HG2 LYS 90 HG2 LYS 90 -3.233 17.289 2.592 762 HG3 LYS 90 HG3 LYS 90 -2.586 17.869 1.054 763 HD2 LYS 90 HD2 LYS 90 -4.418 16.965 -0.155 764 HD3 LYS 90 HD3 LYS 90 -4.973 16.044 1.244 765 HE2 LYS 90 HE2 LYS 90 -4.865 19.052 1.169 766 HE3 LYS 90 HE3 LYS 90 -6.295 18.121 0.721 767 HZ1 LYS 90 HZ1 LYS 90 -6.203 17.106 2.970 768 HZ2 LYS 90 HZ2 LYS 90 -6.516 18.769 2.981 769 HZ3 LYS 90 HZ3 LYS 90 -4.971 18.198 3.380 770 H ASN 91 H ASN 91 -4.155 13.318 0.582 771 HA ASN 91 HA ASN 91 -2.670 10.875 0.680 772 HB2 ASN 91 HB2 ASN 91 -4.796 11.948 -1.174 773 HB3 ASN 91 HB3 ASN 91 -3.969 10.436 -1.519 774 HD21 ASN 91 HD21 ASN 91 -5.837 9.250 -1.362 775 HD22 ASN 91 HD22 ASN 91 -6.619 8.930 0.147 776 HA PRO 92 HA PRO 92 0.533 12.157 -2.158 777 HB2 PRO 92 HB2 PRO 92 1.734 9.780 -2.504 778 HB3 PRO 92 HB3 PRO 92 1.856 10.669 -0.981 779 HG2 PRO 92 HG2 PRO 92 0.067 8.374 -1.692 780 HG3 PRO 92 HG3 PRO 92 1.010 8.641 -0.213 781 HD2 PRO 92 HD2 PRO 92 -1.657 9.178 -0.404 782 HD3 PRO 92 HD3 PRO 92 -0.562 10.057 0.679 783 H THR 93 H THR 93 -2.168 10.371 -2.858 784 HA THR 93 HA THR 93 -1.521 9.454 -5.477 785 HB THR 93 HB THR 93 -4.078 9.324 -5.676 786 HG1 THR 93 HG1 THR 93 -4.868 10.642 -4.145 787 HG21 THR 93 HG21 THR 93 -4.195 7.356 -4.237 788 HG22 THR 93 HG22 THR 93 -2.743 7.873 -3.382 789 HG23 THR 93 HG23 THR 93 -2.647 7.403 -5.081 790 H TYR 94 H TYR 94 -0.602 11.208 -6.490 791 HA TYR 94 HA TYR 94 -2.386 13.466 -7.131 792 HB2 TYR 94 HB2 TYR 94 -0.395 14.051 -5.756 793 HB3 TYR 94 HB3 TYR 94 0.642 13.403 -7.017 794 HD1 TYR 94 HD2 TYR 94 -1.852 16.055 -6.305 795 HD2 TYR 94 HD1 TYR 94 1.344 14.759 -8.794 796 HE1 TYR 94 HE2 TYR 94 -1.760 18.284 -7.336 797 HE2 TYR 94 HE1 TYR 94 1.456 16.985 -9.824 798 HH TYR 94 HH TYR 94 0.029 18.942 -10.164 799 H LYS 95 H LYS 95 0.587 12.021 -8.395 800 HA LYS 95 HA LYS 95 -0.662 11.891 -11.051 801 HB2 LYS 95 HB2 LYS 95 1.733 11.791 -11.877 802 HB3 LYS 95 HB3 LYS 95 1.225 13.323 -11.183 803 HG2 LYS 95 HG2 LYS 95 2.366 12.769 -9.099 804 HG3 LYS 95 HG3 LYS 95 2.856 11.215 -9.780 805 HD2 LYS 95 HD2 LYS 95 4.659 12.870 -9.907 806 HD3 LYS 95 HD3 LYS 95 4.129 12.358 -11.510 807 HE2 LYS 95 HE2 LYS 95 2.700 14.393 -11.617 808 HE3 LYS 95 HE3 LYS 95 3.412 14.920 -10.091 809 HZ1 LYS 95 HZ1 LYS 95 4.517 15.942 -11.967 810 HZ2 LYS 95 HZ2 LYS 95 4.887 14.423 -12.622 811 HZ3 LYS 95 HZ3 LYS 95 5.590 14.909 -11.154 812 H ALA 96 H ALA 96 -1.099 9.997 -8.998 813 HA ALA 96 HA ALA 96 0.569 7.694 -9.516 814 HB1 ALA 96 HB1 ALA 96 -0.889 6.545 -7.927 815 HB2 ALA 96 HB2 ALA 96 -1.963 7.942 -7.892 816 HB3 ALA 96 HB3 ALA 96 -0.320 8.079 -7.269 817 H GLU 97 H GLU 97 0.191 7.567 -11.788 818 HA GLU 97 HA GLU 97 -2.511 6.781 -12.597 819 HB2 GLU 97 HB2 GLU 97 -0.122 7.605 -14.258 820 HB3 GLU 97 HB3 GLU 97 -1.711 7.202 -14.898 821 HG2 GLU 97 HG2 GLU 97 -2.697 9.072 -13.730 822 HG3 GLU 97 HG3 GLU 97 -1.152 9.445 -12.973 823 H LEU 98 H LEU 98 -2.963 4.805 -13.371 824 HA LEU 98 HA LEU 98 -1.001 2.752 -12.806 825 HB2 LEU 98 HB2 LEU 98 -3.887 2.547 -13.682 826 HB3 LEU 98 HB3 LEU 98 -2.880 1.199 -13.186 827 HG LEU 98 HG LEU 98 -3.688 3.506 -11.416 828 HD11 LEU 98 HD11 LEU 98 -5.130 1.901 -10.301 829 HD12 LEU 98 HD12 LEU 98 -4.654 0.651 -11.451 830 HD13 LEU 98 HD13 LEU 98 -5.571 2.054 -12.002 831 HD21 LEU 98 HD21 LEU 98 -2.762 2.121 -9.610 832 HD22 LEU 98 HD22 LEU 98 -1.534 2.596 -10.782 833 HD23 LEU 98 HD23 LEU 98 -2.192 0.960 -10.808 834 H HIS 99 H HIS 99 0.377 2.146 -14.321 835 HA HIS 99 HA HIS 99 -0.621 1.644 -17.023 836 HB2 HIS 99 HB2 HIS 99 0.409 3.932 -16.977 837 HB3 HIS 99 HB3 HIS 99 1.928 3.188 -16.491 838 HD1 HIS 99 HD1 HIS 99 3.387 2.243 -18.314 839 HD2 HIS 99 HD2 HIS 99 -0.412 3.277 -19.650 840 HE1 HIS 99 HE1 HIS 99 3.465 2.031 -20.819 841 HE2 HIS 99 HE2 HIS 99 1.233 2.894 -21.608 842 H ALA 100 H ALA 100 -0.338 -0.512 -17.052 843 HA ALA 100 HA ALA 100 1.934 -1.753 -15.773 844 HB1 ALA 100 HB1 ALA 100 0.937 -3.860 -16.506 845 HB2 ALA 100 HB2 ALA 100 -0.243 -2.970 -17.468 846 HB3 ALA 100 HB3 ALA 100 -0.257 -2.833 -15.710 847 H SER 101 H SER 101 3.835 -1.994 -16.684 848 HA SER 101 HA SER 101 4.013 -2.153 -19.625 849 HB2 SER 101 HB2 SER 101 5.989 -0.937 -17.674 850 HB3 SER 101 HB3 SER 101 6.233 -1.077 -19.416 851 HG SER 101 HG SER 101 4.853 0.510 -19.764 852 H VAL 102 H VAL 102 3.650 -4.330 -17.802 853 HA VAL 102 HA VAL 102 6.123 -5.612 -17.206 854 HB VAL 102 HB VAL 102 3.458 -6.989 -17.488 855 HG11 VAL 102 HG11 VAL 102 5.861 -7.554 -15.758 856 HG12 VAL 102 HG12 VAL 102 5.328 -8.486 -17.158 857 HG13 VAL 102 HG13 VAL 102 4.336 -8.439 -15.702 858 HG21 VAL 102 HG21 VAL 102 4.477 -5.452 -15.106 859 HG22 VAL 102 HG22 VAL 102 3.030 -6.460 -15.135 860 HG23 VAL 102 HG23 VAL 102 3.111 -5.006 -16.129 861 H LEU 103 H LEU 103 4.240 -5.349 -20.065 862 HA LEU 103 HA LEU 103 5.729 -7.576 -21.229 863 HB2 LEU 103 HB2 LEU 103 3.681 -7.916 -22.711 864 HB3 LEU 103 HB3 LEU 103 3.648 -8.524 -21.069 865 HG LEU 103 HG LEU 103 2.399 -6.377 -20.463 866 HD11 LEU 103 HD11 LEU 103 1.955 -6.304 -23.438 867 HD12 LEU 103 HD12 LEU 103 2.980 -5.184 -22.538 868 HD13 LEU 103 HD13 LEU 103 1.242 -5.235 -22.228 869 HD21 LEU 103 HD21 LEU 103 1.353 -8.568 -20.570 870 HD22 LEU 103 HD22 LEU 103 1.117 -8.386 -22.308 871 HD23 LEU 103 HD23 LEU 103 0.264 -7.325 -21.186 872 H GLU 104 H GLU 104 6.570 -7.373 -23.170 873 HA GLU 104 HA GLU 104 5.985 -4.960 -24.753 874 HB2 GLU 104 HB2 GLU 104 8.251 -4.819 -23.842 875 HB3 GLU 104 HB3 GLU 104 8.613 -6.440 -24.411 876 HG2 GLU 104 HG2 GLU 104 9.640 -4.673 -25.779 877 HG3 GLU 104 HG3 GLU 104 8.551 -5.711 -26.694 878 H HIS 105 H HIS 105 6.242 -5.377 -27.137 879 HA HIS 105 HA HIS 105 4.652 -7.550 -27.880 880 HB2 HIS 105 HB2 HIS 105 6.424 -5.719 -29.471 881 HB3 HIS 105 HB3 HIS 105 5.534 -7.028 -30.243 882 HD1 HIS 105 HD1 HIS 105 3.194 -6.529 -30.905 883 HD2 HIS 105 HD2 HIS 105 4.640 -3.812 -28.107 884 HE1 HIS 105 HE1 HIS 105 1.403 -4.777 -30.671 885 HE2 HIS 105 HE2 HIS 105 2.230 -3.242 -28.848 886 H HIS 106 H HIS 106 5.082 -9.398 -29.099 887 HA HIS 106 HA HIS 106 7.322 -10.864 -28.044 888 HB2 HIS 106 HB2 HIS 106 4.919 -11.682 -28.369 889 HB3 HIS 106 HB3 HIS 106 5.299 -11.808 -30.081 890 HD1 HIS 106 HD1 HIS 106 6.112 -13.352 -26.748 891 HD2 HIS 106 HD2 HIS 106 6.778 -14.043 -30.799 892 HE1 HIS 106 HE1 HIS 106 7.047 -15.684 -26.900 893 HE2 HIS 106 HE2 HIS 106 7.212 -16.157 -29.376 894 H HIS 107 H HIS 107 8.527 -8.991 -29.455 895 HA HIS 107 HA HIS 107 8.850 -9.752 -32.231 896 HB2 HIS 107 HB2 HIS 107 10.191 -7.776 -32.485 897 HB3 HIS 107 HB3 HIS 107 8.777 -7.359 -31.529 898 HD1 HIS 107 HD1 HIS 107 12.376 -7.063 -31.587 899 HD2 HIS 107 HD2 HIS 107 9.440 -7.151 -28.642 900 HE1 HIS 107 HE1 HIS 107 13.453 -6.109 -29.526 901 HE2 HIS 107 HE2 HIS 107 11.710 -6.316 -27.713 902 H HIS 108 H HIS 108 10.391 -10.451 -29.258 903 HA HIS 108 HA HIS 108 12.532 -11.803 -30.769 904 HB2 HIS 108 HB2 HIS 108 13.323 -9.858 -29.322 905 HB3 HIS 108 HB3 HIS 108 12.827 -10.809 -27.926 906 HD1 HIS 108 HD1 HIS 108 14.502 -12.487 -27.049 907 HD2 HIS 108 HD2 HIS 108 15.468 -11.080 -30.846 908 HE1 HIS 108 HE1 HIS 108 16.768 -13.438 -27.573 909 HE2 HIS 108 HE2 HIS 108 17.375 -12.509 -29.836 910 H HIS 109 H HIS 109 12.817 -13.923 -30.337 911 HA HIS 109 HA HIS 109 10.994 -15.118 -28.350 912 HB2 HIS 109 HB2 HIS 109 10.427 -15.725 -30.645 913 HB3 HIS 109 HB3 HIS 109 12.073 -16.268 -30.935 914 HD1 HIS 109 HD1 HIS 109 12.573 -18.664 -30.434 915 HD2 HIS 109 HD2 HIS 109 8.981 -17.409 -28.757 916 HE1 HIS 109 HE1 HIS 109 11.476 -20.743 -29.540 917 HE2 HIS 109 HE2 HIS 109 9.215 -19.985 -28.730 918 H HIS 110 H HIS 110 11.880 -16.184 -26.701 919 HA HIS 110 HA HIS 110 14.761 -16.720 -26.774 920 HB2 HIS 110 HB2 HIS 110 13.683 -15.423 -24.867 921 HB3 HIS 110 HB3 HIS 110 12.899 -16.928 -24.398 922 HD1 HIS 110 HD1 HIS 110 15.121 -15.200 -22.788 923 HD2 HIS 110 HD2 HIS 110 15.682 -18.811 -24.784 924 HE1 HIS 110 HE1 HIS 110 17.132 -16.266 -21.719 925 HE2 HIS 110 HE2 HIS 110 17.544 -18.376 -23.041 Start of MODEL 19 1 H1 MET 1 H1 MET 1 2.197 9.269 15.100 2 H2 MET 1 H2 MET 1 2.354 10.900 14.676 3 H3 MET 1 H3 MET 1 3.641 10.087 15.433 4 HA MET 1 HA MET 1 2.550 9.547 12.737 5 HB2 MET 1 HB2 MET 1 4.679 10.330 11.888 6 HB3 MET 1 HB3 MET 1 3.969 11.582 12.894 7 HG2 MET 1 HG2 MET 1 6.079 9.667 13.854 8 HG3 MET 1 HG3 MET 1 6.429 11.249 13.166 9 HE1 MET 1 HE1 MET 1 5.948 13.539 14.360 10 HE2 MET 1 HE2 MET 1 4.895 13.688 15.768 11 HE3 MET 1 HE3 MET 1 4.238 13.122 14.231 12 H ILE 2 H ILE 2 3.198 7.707 11.759 13 HA ILE 2 HA ILE 2 5.041 5.932 13.195 14 HB ILE 2 HB ILE 2 2.700 5.304 13.756 15 HG12 ILE 2 HG12 ILE 2 4.090 3.292 11.974 16 HG13 ILE 2 HG13 ILE 2 4.452 3.571 13.674 17 HG21 ILE 2 HG21 ILE 2 2.422 4.839 10.792 18 HG22 ILE 2 HG22 ILE 2 1.588 6.063 11.751 19 HG23 ILE 2 HG23 ILE 2 1.249 4.354 12.017 20 HD11 ILE 2 HD11 ILE 2 1.848 2.544 12.571 21 HD12 ILE 2 HD12 ILE 2 2.214 2.816 14.275 22 HD13 ILE 2 HD13 ILE 2 3.094 1.584 13.369 23 H THR 3 H THR 3 5.901 4.208 11.774 24 HA THR 3 HA THR 3 6.649 5.131 9.209 25 HB THR 3 HB THR 3 7.297 2.552 9.049 26 HG1 THR 3 HG1 THR 3 7.073 1.482 10.885 27 HG21 THR 3 HG21 THR 3 8.894 4.406 9.211 28 HG22 THR 3 HG22 THR 3 9.378 3.057 10.240 29 HG23 THR 3 HG23 THR 3 8.625 4.485 10.953 30 H PHE 4 H PHE 4 5.810 4.732 7.222 31 HA PHE 4 HA PHE 4 3.082 4.086 7.030 32 HB2 PHE 4 HB2 PHE 4 4.127 5.561 5.418 33 HB3 PHE 4 HB3 PHE 4 5.192 4.270 4.874 34 HD1 PHE 4 HD2 PHE 4 1.504 4.521 5.443 35 HD2 PHE 4 HD1 PHE 4 4.666 3.603 2.748 36 HE1 PHE 4 HE2 PHE 4 -0.144 3.866 3.738 37 HE2 PHE 4 HE1 PHE 4 3.024 2.948 1.038 38 HZ PHE 4 HZ PHE 4 0.616 3.079 1.533 39 H ALA 5 H ALA 5 5.968 2.160 6.471 40 HA ALA 5 HA ALA 5 4.799 -0.051 5.231 41 HB1 ALA 5 HB1 ALA 5 7.119 -0.068 7.154 42 HB2 ALA 5 HB2 ALA 5 7.230 0.324 5.438 43 HB3 ALA 5 HB3 ALA 5 6.744 -1.294 5.944 44 H ASP 6 H ASP 6 5.463 0.496 8.680 45 HA ASP 6 HA ASP 6 4.185 -1.863 9.579 46 HB2 ASP 6 HB2 ASP 6 4.849 0.701 11.053 47 HB3 ASP 6 HB3 ASP 6 4.292 -0.781 11.827 48 H TYR 7 H TYR 7 3.131 1.467 9.178 49 HA TYR 7 HA TYR 7 0.623 1.276 10.401 50 HB2 TYR 7 HB2 TYR 7 1.561 3.429 9.787 51 HB3 TYR 7 HB3 TYR 7 1.527 2.999 8.080 52 HD1 TYR 7 HD2 TYR 7 -0.606 3.755 11.010 53 HD2 TYR 7 HD1 TYR 7 -0.434 3.313 6.780 54 HE1 TYR 7 HE2 TYR 7 -2.865 4.703 10.823 55 HE2 TYR 7 HE1 TYR 7 -2.697 4.257 6.584 56 HH TYR 7 HH TYR 7 -4.674 4.586 7.905 57 H PHE 8 H PHE 8 1.566 0.734 7.017 58 HA PHE 8 HA PHE 8 -0.991 0.265 5.988 59 HB2 PHE 8 HB2 PHE 8 0.949 0.671 4.559 60 HB3 PHE 8 HB3 PHE 8 1.674 -0.847 5.081 61 HD1 PHE 8 HD1 PHE 8 -1.212 0.590 3.246 62 HD2 PHE 8 HD2 PHE 8 1.179 -2.849 3.992 63 HE1 PHE 8 HE1 PHE 8 -2.318 -0.579 1.383 64 HE2 PHE 8 HE2 PHE 8 0.081 -4.024 2.131 65 HZ PHE 8 HZ PHE 8 -1.669 -2.891 0.824 66 H TYR 9 H TYR 9 1.426 -2.057 7.204 67 HA TYR 9 HA TYR 9 -0.193 -4.325 6.724 68 HB2 TYR 9 HB2 TYR 9 2.263 -4.461 7.026 69 HB3 TYR 9 HB3 TYR 9 2.053 -4.070 8.733 70 HD1 TYR 9 HD2 TYR 9 1.367 -6.607 6.135 71 HD2 TYR 9 HD1 TYR 9 1.352 -5.729 10.298 72 HE1 TYR 9 HE2 TYR 9 0.966 -8.982 6.626 73 HE2 TYR 9 HE1 TYR 9 0.944 -8.098 10.800 74 HH TYR 9 HH TYR 9 -0.007 -10.067 9.704 75 H GLN 10 H GLN 10 0.302 -2.315 9.599 76 HA GLN 10 HA GLN 10 -1.250 -3.859 11.366 77 HB2 GLN 10 HB2 GLN 10 0.305 -2.042 12.050 78 HB3 GLN 10 HB3 GLN 10 -0.829 -0.865 11.404 79 HG2 GLN 10 HG2 GLN 10 -2.511 -1.586 13.009 80 HG3 GLN 10 HG3 GLN 10 -1.388 -2.785 13.650 81 HE21 GLN 10 HE21 GLN 10 -2.195 0.573 13.469 82 HE22 GLN 10 HE22 GLN 10 -1.106 1.114 14.698 83 H TRP 11 H TRP 11 -2.091 -1.079 9.329 84 HA TRP 11 HA TRP 11 -4.791 -0.852 9.939 85 HB2 TRP 11 HB2 TRP 11 -3.759 0.822 8.581 86 HB3 TRP 11 HB3 TRP 11 -3.270 -0.361 7.374 87 HD1 TRP 11 HD1 TRP 11 -6.416 1.469 8.639 88 HE1 TRP 11 HE1 TRP 11 -8.166 1.451 6.751 89 HE3 TRP 11 HE3 TRP 11 -3.968 -1.521 5.294 90 HZ2 TRP 11 HZ2 TRP 11 -8.460 0.314 4.179 91 HZ3 TRP 11 HZ3 TRP 11 -5.049 -2.027 3.145 92 HH2 TRP 11 HH2 TRP 11 -7.251 -1.129 2.600 93 H TYR 12 H TYR 12 -3.201 -2.852 7.499 94 HA TYR 12 HA TYR 12 -5.470 -4.111 6.468 95 HB2 TYR 12 HB2 TYR 12 -3.591 -4.453 5.178 96 HB3 TYR 12 HB3 TYR 12 -2.553 -4.740 6.570 97 HD1 TYR 12 HD1 TYR 12 -5.494 -6.320 4.871 98 HD2 TYR 12 HD2 TYR 12 -1.792 -6.877 6.890 99 HE1 TYR 12 HE1 TYR 12 -5.671 -8.738 4.502 100 HE2 TYR 12 HE2 TYR 12 -1.955 -9.300 6.530 101 HH TYR 12 HH TYR 12 -3.568 -10.981 6.073 102 H GLU 13 H GLU 13 -3.335 -5.096 9.128 103 HA GLU 13 HA GLU 13 -4.634 -7.592 9.537 104 HB2 GLU 13 HB2 GLU 13 -2.247 -7.029 10.125 105 HB3 GLU 13 HB3 GLU 13 -2.867 -6.104 11.484 106 HG2 GLU 13 HG2 GLU 13 -3.731 -8.050 12.522 107 HG3 GLU 13 HG3 GLU 13 -3.433 -9.026 11.085 108 H VAL 14 H VAL 14 -5.522 -4.448 10.364 109 HA VAL 14 HA VAL 14 -7.243 -5.373 12.557 110 HB VAL 14 HB VAL 14 -6.557 -2.572 11.648 111 HG11 VAL 14 HG11 VAL 14 -7.779 -1.790 13.626 112 HG12 VAL 14 HG12 VAL 14 -8.317 -3.441 13.938 113 HG13 VAL 14 HG13 VAL 14 -8.840 -2.604 12.476 114 HG21 VAL 14 HG21 VAL 14 -5.411 -2.399 13.793 115 HG22 VAL 14 HG22 VAL 14 -4.755 -3.723 12.829 116 HG23 VAL 14 HG23 VAL 14 -5.849 -4.065 14.169 117 H ASN 15 H ASN 15 -7.363 -4.394 9.230 118 HA ASN 15 HA ASN 15 -10.256 -3.897 9.479 119 HB2 ASN 15 HB2 ASN 15 -8.167 -2.600 7.830 120 HB3 ASN 15 HB3 ASN 15 -9.747 -2.809 7.085 121 HD21 ASN 15 HD21 ASN 15 -7.925 -1.161 9.512 122 HD22 ASN 15 HD22 ASN 15 -9.165 -0.043 9.977 123 H LYS 16 H LYS 16 -7.877 -5.761 7.675 124 HA LYS 16 HA LYS 16 -10.078 -6.735 5.959 125 HB2 LYS 16 HB2 LYS 16 -7.148 -6.665 5.242 126 HB3 LYS 16 HB3 LYS 16 -8.495 -7.048 4.178 127 HG2 LYS 16 HG2 LYS 16 -7.958 -4.367 5.440 128 HG3 LYS 16 HG3 LYS 16 -7.620 -4.814 3.767 129 HD2 LYS 16 HD2 LYS 16 -9.974 -5.148 3.339 130 HD3 LYS 16 HD3 LYS 16 -10.355 -4.846 5.037 131 HE2 LYS 16 HE2 LYS 16 -9.479 -2.556 4.800 132 HE3 LYS 16 HE3 LYS 16 -9.165 -2.869 3.093 133 HZ1 LYS 16 HZ1 LYS 16 -11.512 -3.195 2.731 134 HZ2 LYS 16 HZ2 LYS 16 -11.261 -1.685 3.462 135 HZ3 LYS 16 HZ3 LYS 16 -11.841 -2.988 4.381 136 H LEU 17 H LEU 17 -7.637 -7.611 8.170 137 HA LEU 17 HA LEU 17 -6.632 -9.976 7.257 138 HB2 LEU 17 HB2 LEU 17 -5.928 -8.712 9.284 139 HB3 LEU 17 HB3 LEU 17 -7.289 -9.416 10.138 140 HG LEU 17 HG LEU 17 -6.293 -11.686 9.545 141 HD11 LEU 17 HD11 LEU 17 -3.917 -9.936 8.942 142 HD12 LEU 17 HD12 LEU 17 -4.798 -10.944 7.793 143 HD13 LEU 17 HD13 LEU 17 -3.884 -11.693 9.102 144 HD21 LEU 17 HD21 LEU 17 -4.670 -11.558 11.401 145 HD22 LEU 17 HD22 LEU 17 -6.222 -10.815 11.786 146 HD23 LEU 17 HD23 LEU 17 -4.834 -9.801 11.388 147 HA PRO 18 HA PRO 18 -9.983 -12.714 9.071 148 HB2 PRO 18 HB2 PRO 18 -11.919 -11.605 10.720 149 HB3 PRO 18 HB3 PRO 18 -10.393 -12.300 11.264 150 HG2 PRO 18 HG2 PRO 18 -11.208 -9.568 11.372 151 HG3 PRO 18 HG3 PRO 18 -9.654 -10.258 11.864 152 HD2 PRO 18 HD2 PRO 18 -10.385 -8.846 9.371 153 HD3 PRO 18 HD3 PRO 18 -8.798 -9.032 10.147 154 H HIS 19 H HIS 19 -10.556 -10.482 6.985 155 HA HIS 19 HA HIS 19 -13.429 -11.054 6.661 156 HB2 HIS 19 HB2 HIS 19 -11.986 -8.502 5.915 157 HB3 HIS 19 HB3 HIS 19 -13.692 -8.832 5.640 158 HD2 HIS 19 HD2 HIS 19 -11.350 -7.529 8.358 159 HE1 HIS 19 HE1 HIS 19 -15.170 -8.033 10.101 160 HE2 HIS 19 HE2 HIS 19 -12.894 -6.952 10.361 161 H VAL 20 H VAL 20 -10.476 -10.135 4.900 162 HA VAL 20 HA VAL 20 -11.643 -10.896 2.374 163 HB VAL 20 HB VAL 20 -9.527 -10.253 1.380 164 HG11 VAL 20 HG11 VAL 20 -10.403 -8.310 3.520 165 HG12 VAL 20 HG12 VAL 20 -11.092 -8.469 1.903 166 HG13 VAL 20 HG13 VAL 20 -9.434 -7.905 2.102 167 HG21 VAL 20 HG21 VAL 20 -7.999 -11.163 3.040 168 HG22 VAL 20 HG22 VAL 20 -8.514 -9.948 4.210 169 HG23 VAL 20 HG23 VAL 20 -7.649 -9.458 2.753 170 H SER 21 H SER 21 -10.479 -12.419 0.908 171 HA SER 21 HA SER 21 -10.108 -14.939 2.193 172 HB2 SER 21 HB2 SER 21 -9.568 -15.721 -0.132 173 HB3 SER 21 HB3 SER 21 -11.111 -14.877 -0.002 174 HG SER 21 HG SER 21 -10.224 -13.876 -1.678 175 H GLU 22 H GLU 22 -8.167 -16.302 1.924 176 HA GLU 22 HA GLU 22 -5.820 -14.902 2.728 177 HB2 GLU 22 HB2 GLU 22 -6.158 -17.791 1.916 178 HB3 GLU 22 HB3 GLU 22 -4.741 -17.114 2.710 179 HG2 GLU 22 HG2 GLU 22 -6.251 -16.437 4.596 180 HG3 GLU 22 HG3 GLU 22 -7.517 -17.387 3.820 181 H SER 23 H SER 23 -7.070 -16.036 -0.293 182 HA SER 23 HA SER 23 -4.761 -15.790 -1.876 183 HB2 SER 23 HB2 SER 23 -6.955 -16.726 -2.653 184 HB3 SER 23 HB3 SER 23 -7.607 -15.089 -2.658 185 HG SER 23 HG SER 23 -5.384 -16.006 -4.184 186 H THR 24 H THR 24 -7.189 -13.445 -0.833 187 HA THR 24 HA THR 24 -6.049 -11.182 -2.071 188 HB THR 24 HB THR 24 -7.771 -11.328 0.413 189 HG1 THR 24 HG1 THR 24 -9.021 -12.169 -1.148 190 HG21 THR 24 HG21 THR 24 -7.194 -9.038 -1.468 191 HG22 THR 24 HG22 THR 24 -6.747 -9.149 0.238 192 HG23 THR 24 HG23 THR 24 -8.446 -9.028 -0.228 193 H LYS 25 H LYS 25 -5.583 -12.710 1.083 194 HA LYS 25 HA LYS 25 -3.983 -10.813 2.334 195 HB2 LYS 25 HB2 LYS 25 -3.780 -13.826 2.480 196 HB3 LYS 25 HB3 LYS 25 -2.988 -12.719 3.589 197 HG2 LYS 25 HG2 LYS 25 -5.206 -11.895 4.297 198 HG3 LYS 25 HG3 LYS 25 -5.956 -13.099 3.243 199 HD2 LYS 25 HD2 LYS 25 -4.911 -14.892 4.490 200 HD3 LYS 25 HD3 LYS 25 -4.041 -13.732 5.491 201 HE2 LYS 25 HE2 LYS 25 -6.174 -12.906 6.377 202 HE3 LYS 25 HE3 LYS 25 -7.038 -14.081 5.381 203 HZ1 LYS 25 HZ1 LYS 25 -6.829 -14.974 7.570 204 HZ2 LYS 25 HZ2 LYS 25 -5.168 -14.652 7.616 205 HZ3 LYS 25 HZ3 LYS 25 -5.768 -15.842 6.577 206 H ARG 26 H ARG 26 -3.160 -13.232 -0.080 207 HA ARG 26 HA ARG 26 -0.357 -13.017 0.097 208 HB2 ARG 26 HB2 ARG 26 -1.757 -14.799 -1.096 209 HB3 ARG 26 HB3 ARG 26 -1.863 -13.662 -2.432 210 HG2 ARG 26 HG2 ARG 26 -0.087 -15.320 -2.752 211 HG3 ARG 26 HG3 ARG 26 0.544 -13.673 -2.677 212 HD2 ARG 26 HD2 ARG 26 1.379 -13.974 -0.504 213 HD3 ARG 26 HD3 ARG 26 0.412 -15.423 -0.243 214 HE ARG 26 HE ARG 26 2.232 -15.822 -2.384 215 HH11 ARG 26 HH11 ARG 26 2.168 -15.473 1.111 216 HH12 ARG 26 HH12 ARG 26 3.500 -16.563 1.360 217 HH21 ARG 26 HH21 ARG 26 3.975 -17.271 -2.042 218 HH22 ARG 26 HH22 ARG 26 4.503 -17.605 -0.415 219 H HIS 27 H HIS 27 -2.771 -11.165 -1.663 220 HA HIS 27 HA HIS 27 -0.931 -9.665 -3.229 221 HB2 HIS 27 HB2 HIS 27 -3.759 -9.031 -2.360 222 HB3 HIS 27 HB3 HIS 27 -2.834 -8.059 -3.499 223 HD2 HIS 27 HD2 HIS 27 -4.986 -11.230 -3.395 224 HE1 HIS 27 HE1 HIS 27 -3.382 -10.855 -7.290 225 HE2 HIS 27 HE2 HIS 27 -4.914 -12.217 -5.793 226 H TYR 28 H TYR 28 -2.366 -9.246 -0.040 227 HA TYR 28 HA TYR 28 -1.324 -6.666 0.458 228 HB2 TYR 28 HB2 TYR 28 -2.249 -8.879 2.273 229 HB3 TYR 28 HB3 TYR 28 -1.584 -7.382 2.913 230 HD1 TYR 28 HD1 TYR 28 -2.754 -5.226 2.463 231 HD2 TYR 28 HD2 TYR 28 -4.472 -8.980 1.433 232 HE1 TYR 28 HE1 TYR 28 -4.967 -4.165 2.302 233 HE2 TYR 28 HE2 TYR 28 -6.686 -7.927 1.269 234 HH TYR 28 HH TYR 28 -7.867 -6.007 2.012 235 H GLU 29 H GLU 29 -0.046 -9.921 1.022 236 HA GLU 29 HA GLU 29 2.317 -9.225 2.333 237 HB2 GLU 29 HB2 GLU 29 1.804 -11.439 0.339 238 HB3 GLU 29 HB3 GLU 29 3.283 -11.293 1.274 239 HG2 GLU 29 HG2 GLU 29 1.862 -11.414 3.342 240 HG3 GLU 29 HG3 GLU 29 0.509 -11.831 2.289 241 H SER 30 H SER 30 1.710 -9.563 -1.152 242 HA SER 30 HA SER 30 4.256 -8.781 -2.030 243 HB2 SER 30 HB2 SER 30 2.572 -9.908 -3.462 244 HB3 SER 30 HB3 SER 30 1.598 -8.439 -3.452 245 HG SER 30 HG SER 30 2.739 -8.069 -5.205 246 H ALA 31 H ALA 31 1.304 -6.892 -1.476 247 HA ALA 31 HA ALA 31 2.255 -4.406 -2.333 248 HB1 ALA 31 HB1 ALA 31 0.254 -4.964 -0.140 249 HB2 ALA 31 HB2 ALA 31 -0.110 -4.900 -1.864 250 HB3 ALA 31 HB3 ALA 31 0.441 -3.450 -1.027 251 H TYR 32 H TYR 32 2.088 -5.724 0.956 252 HA TYR 32 HA TYR 32 3.280 -3.568 2.257 253 HB2 TYR 32 HB2 TYR 32 2.041 -5.128 3.541 254 HB3 TYR 32 HB3 TYR 32 3.003 -6.484 2.969 255 HD1 TYR 32 HD2 TYR 32 3.655 -3.226 4.717 256 HD2 TYR 32 HD1 TYR 32 4.368 -7.417 4.541 257 HE1 TYR 32 HE2 TYR 32 5.095 -3.059 6.700 258 HE2 TYR 32 HE1 TYR 32 5.812 -7.261 6.522 259 HH TYR 32 HH TYR 32 5.882 -4.632 8.563 260 H LYS 33 H LYS 33 4.783 -6.482 0.871 261 HA LYS 33 HA LYS 33 7.314 -5.958 2.057 262 HB2 LYS 33 HB2 LYS 33 8.158 -7.786 0.794 263 HB3 LYS 33 HB3 LYS 33 6.525 -8.211 1.280 264 HG2 LYS 33 HG2 LYS 33 5.729 -7.605 -0.969 265 HG3 LYS 33 HG3 LYS 33 7.397 -7.271 -1.444 266 HD2 LYS 33 HD2 LYS 33 7.942 -9.637 -0.766 267 HD3 LYS 33 HD3 LYS 33 6.205 -9.908 -0.611 268 HE2 LYS 33 HE2 LYS 33 6.881 -10.663 -2.772 269 HE3 LYS 33 HE3 LYS 33 5.953 -9.179 -2.979 270 HZ1 LYS 33 HZ1 LYS 33 7.905 -9.157 -4.377 271 HZ2 LYS 33 HZ2 LYS 33 8.917 -9.413 -3.041 272 HZ3 LYS 33 HZ3 LYS 33 8.057 -7.964 -3.180 273 H HIS 34 H HIS 34 5.879 -5.073 -1.050 274 HA HIS 34 HA HIS 34 8.329 -3.978 -2.070 275 HB2 HIS 34 HB2 HIS 34 5.467 -3.853 -2.955 276 HB3 HIS 34 HB3 HIS 34 6.658 -2.776 -3.671 277 HD1 HIS 34 HD1 HIS 34 8.727 -4.042 -4.913 278 HD2 HIS 34 HD2 HIS 34 5.373 -6.331 -4.025 279 HE1 HIS 34 HE1 HIS 34 8.884 -6.117 -6.345 280 H ILE 35 H ILE 35 5.533 -2.739 -0.338 281 HA ILE 35 HA ILE 35 6.175 -0.006 -0.465 282 HB ILE 35 HB ILE 35 4.657 -1.589 1.608 283 HG12 ILE 35 HG12 ILE 35 3.766 0.353 -0.538 284 HG13 ILE 35 HG13 ILE 35 3.630 -1.400 -0.621 285 HG21 ILE 35 HG21 ILE 35 5.606 0.342 2.724 286 HG22 ILE 35 HG22 ILE 35 3.870 0.561 2.505 287 HG23 ILE 35 HG23 ILE 35 5.004 1.403 1.450 288 HD11 ILE 35 HD11 ILE 35 2.248 0.365 1.388 289 HD12 ILE 35 HD12 ILE 35 2.084 -1.386 1.250 290 HD13 ILE 35 HD13 ILE 35 1.509 -0.340 -0.050 291 H LYS 36 H LYS 36 6.961 -2.439 2.031 292 HA LYS 36 HA LYS 36 8.526 -0.628 3.562 293 HB2 LYS 36 HB2 LYS 36 9.200 -2.539 4.869 294 HB3 LYS 36 HB3 LYS 36 7.485 -2.652 4.524 295 HG2 LYS 36 HG2 LYS 36 8.018 -4.258 2.710 296 HG3 LYS 36 HG3 LYS 36 9.707 -4.207 3.222 297 HD2 LYS 36 HD2 LYS 36 7.343 -5.105 4.873 298 HD3 LYS 36 HD3 LYS 36 8.616 -6.130 4.209 299 HE2 LYS 36 HE2 LYS 36 10.268 -5.043 5.620 300 HE3 LYS 36 HE3 LYS 36 9.048 -3.929 6.231 301 HZ1 LYS 36 HZ1 LYS 36 9.505 -5.762 7.771 302 HZ2 LYS 36 HZ2 LYS 36 8.991 -6.879 6.602 303 HZ3 LYS 36 HZ3 LYS 36 7.891 -5.760 7.251 304 H ASP 37 H ASP 37 9.193 -2.687 0.861 305 HA ASP 37 HA ASP 37 11.987 -2.773 0.959 306 HB2 ASP 37 HB2 ASP 37 10.862 -4.168 -0.610 307 HB3 ASP 37 HB3 ASP 37 10.033 -2.798 -1.340 308 H HIS 38 H HIS 38 9.820 -0.400 -0.548 309 HA HIS 38 HA HIS 38 12.061 1.274 -1.304 310 HB2 HIS 38 HB2 HIS 38 9.082 1.555 -1.651 311 HB3 HIS 38 HB3 HIS 38 10.197 2.855 -2.061 312 HD1 HIS 38 HD1 HIS 38 11.390 2.704 -4.279 313 HD2 HIS 38 HD2 HIS 38 9.366 -0.789 -3.275 314 HE1 HIS 38 HE1 HIS 38 11.433 1.274 -6.353 315 HE2 HIS 38 HE2 HIS 38 10.432 -0.925 -5.622 316 H PHE 39 H PHE 39 9.278 1.530 0.900 317 HA PHE 39 HA PHE 39 10.327 4.057 1.916 318 HB2 PHE 39 HB2 PHE 39 7.739 2.628 2.555 319 HB3 PHE 39 HB3 PHE 39 8.173 4.260 3.054 320 HD1 PHE 39 HD2 PHE 39 8.675 5.954 1.159 321 HD2 PHE 39 HD1 PHE 39 6.576 2.295 0.585 322 HE1 PHE 39 HE2 PHE 39 7.695 6.844 -0.915 323 HE2 PHE 39 HE1 PHE 39 5.597 3.180 -1.490 324 HZ PHE 39 HZ PHE 39 6.154 5.456 -2.243 325 H ARG 40 H ARG 40 12.046 2.178 2.615 326 HA ARG 40 HA ARG 40 11.582 0.772 4.996 327 HB2 ARG 40 HB2 ARG 40 13.876 1.465 3.341 328 HB3 ARG 40 HB3 ARG 40 14.279 1.412 5.051 329 HG2 ARG 40 HG2 ARG 40 13.646 -0.839 5.245 330 HG3 ARG 40 HG3 ARG 40 12.803 -0.818 3.696 331 HD2 ARG 40 HD2 ARG 40 15.767 -0.384 3.965 332 HD3 ARG 40 HD3 ARG 40 15.045 -1.975 3.717 333 HE ARG 40 HE ARG 40 13.976 -0.582 1.700 334 HH11 ARG 40 HH11 ARG 40 17.292 -0.829 2.808 335 HH12 ARG 40 HH12 ARG 40 17.970 -0.565 1.227 336 HH21 ARG 40 HH21 ARG 40 14.863 -0.273 -0.366 337 HH22 ARG 40 HH22 ARG 40 16.587 -0.268 -0.578 338 H HIS 41 H HIS 41 10.875 1.652 6.789 339 HA HIS 41 HA HIS 41 10.692 2.917 8.649 340 HB2 HIS 41 HB2 HIS 41 13.548 3.473 7.917 341 HB3 HIS 41 HB3 HIS 41 12.794 4.309 9.271 342 HD1 HIS 41 HD1 HIS 41 13.289 3.201 11.411 343 HD2 HIS 41 HD2 HIS 41 12.995 0.464 8.293 344 HE1 HIS 41 HE1 HIS 41 13.714 0.940 12.445 345 HE2 HIS 41 HE2 HIS 41 13.671 -0.685 10.509 346 H LYS 42 H LYS 42 10.001 3.987 5.959 347 HA LYS 42 HA LYS 42 10.296 6.847 6.269 348 HB2 LYS 42 HB2 LYS 42 10.281 5.769 4.028 349 HB3 LYS 42 HB3 LYS 42 8.614 5.283 4.297 350 HG2 LYS 42 HG2 LYS 42 8.270 7.163 3.070 351 HG3 LYS 42 HG3 LYS 42 8.278 7.868 4.683 352 HD2 LYS 42 HD2 LYS 42 10.577 7.804 2.731 353 HD3 LYS 42 HD3 LYS 42 9.617 9.213 3.181 354 HE2 LYS 42 HE2 LYS 42 10.401 8.833 5.549 355 HE3 LYS 42 HE3 LYS 42 11.534 7.653 4.898 356 HZ1 LYS 42 HZ1 LYS 42 12.326 9.522 3.411 357 HZ2 LYS 42 HZ2 LYS 42 12.715 9.643 5.054 358 HZ3 LYS 42 HZ3 LYS 42 11.443 10.569 4.416 359 H LEU 43 H LEU 43 8.928 8.137 7.322 360 HA LEU 43 HA LEU 43 6.739 7.104 8.791 361 HB2 LEU 43 HB2 LEU 43 7.569 9.937 8.200 362 HB3 LEU 43 HB3 LEU 43 6.267 9.514 9.294 363 HG LEU 43 HG LEU 43 9.164 8.738 9.647 364 HD11 LEU 43 HD11 LEU 43 9.160 10.339 11.475 365 HD12 LEU 43 HD12 LEU 43 7.491 10.773 11.109 366 HD13 LEU 43 HD13 LEU 43 8.770 11.135 9.950 367 HD21 LEU 43 HD21 LEU 43 6.783 8.372 11.463 368 HD22 LEU 43 HD22 LEU 43 8.458 7.982 11.860 369 HD23 LEU 43 HD23 LEU 43 7.622 7.092 10.585 370 H LEU 44 H LEU 44 4.538 7.653 8.647 371 HA LEU 44 HA LEU 44 3.328 7.197 6.211 372 HB2 LEU 44 HB2 LEU 44 2.257 6.855 8.373 373 HB3 LEU 44 HB3 LEU 44 2.216 8.584 8.650 374 HG LEU 44 HG LEU 44 0.679 8.820 6.708 375 HD11 LEU 44 HD11 LEU 44 0.703 5.809 6.768 376 HD12 LEU 44 HD12 LEU 44 1.311 6.836 5.469 377 HD13 LEU 44 HD13 LEU 44 -0.414 6.807 5.837 378 HD21 LEU 44 HD21 LEU 44 -1.282 7.928 7.833 379 HD22 LEU 44 HD22 LEU 44 -0.183 8.678 8.990 380 HD23 LEU 44 HD23 LEU 44 -0.255 6.920 8.853 381 H LYS 45 H LYS 45 3.864 10.324 7.809 382 HA LYS 45 HA LYS 45 2.512 11.747 5.694 383 HB2 LYS 45 HB2 LYS 45 3.130 13.774 6.958 384 HB3 LYS 45 HB3 LYS 45 2.309 12.586 7.961 385 HG2 LYS 45 HG2 LYS 45 4.314 11.974 9.045 386 HG3 LYS 45 HG3 LYS 45 5.301 12.833 7.862 387 HD2 LYS 45 HD2 LYS 45 4.375 14.964 8.640 388 HD3 LYS 45 HD3 LYS 45 3.382 14.101 9.819 389 HE2 LYS 45 HE2 LYS 45 5.355 13.294 10.948 390 HE3 LYS 45 HE3 LYS 45 6.393 14.021 9.723 391 HZ1 LYS 45 HZ1 LYS 45 4.596 15.523 11.561 392 HZ2 LYS 45 HZ2 LYS 45 5.644 16.200 10.411 393 HZ3 LYS 45 HZ3 LYS 45 6.276 15.364 11.739 394 H ASP 46 H ASP 46 5.553 10.438 5.965 395 HA ASP 46 HA ASP 46 6.869 12.680 4.605 396 HB2 ASP 46 HB2 ASP 46 7.809 11.373 6.697 397 HB3 ASP 46 HB3 ASP 46 8.355 10.233 5.471 398 H ILE 47 H ILE 47 5.084 10.182 3.718 399 HA ILE 47 HA ILE 47 6.622 8.951 1.671 400 HB ILE 47 HB ILE 47 3.618 9.275 1.788 401 HG12 ILE 47 HG12 ILE 47 4.473 8.141 3.785 402 HG13 ILE 47 HG13 ILE 47 3.578 7.025 2.761 403 HG21 ILE 47 HG21 ILE 47 3.587 7.294 0.314 404 HG22 ILE 47 HG22 ILE 47 5.346 7.374 0.209 405 HG23 ILE 47 HG23 ILE 47 4.366 8.690 -0.434 406 HD11 ILE 47 HD11 ILE 47 6.569 7.243 2.975 407 HD12 ILE 47 HD12 ILE 47 5.700 6.160 1.888 408 HD13 ILE 47 HD13 ILE 47 5.552 5.963 3.634 409 H LYS 48 H LYS 48 7.439 9.976 0.003 410 HA LYS 48 HA LYS 48 6.452 12.494 -0.906 411 HB2 LYS 48 HB2 LYS 48 8.870 11.441 -1.005 412 HB3 LYS 48 HB3 LYS 48 8.304 10.800 -2.540 413 HG2 LYS 48 HG2 LYS 48 9.485 12.850 -2.916 414 HG3 LYS 48 HG3 LYS 48 7.775 13.096 -3.267 415 HD2 LYS 48 HD2 LYS 48 8.680 14.985 -2.023 416 HD3 LYS 48 HD3 LYS 48 7.470 14.129 -1.068 417 HE2 LYS 48 HE2 LYS 48 9.332 14.683 0.350 418 HE3 LYS 48 HE3 LYS 48 9.309 12.939 0.099 419 HZ1 LYS 48 HZ1 LYS 48 11.540 13.712 -0.104 420 HZ2 LYS 48 HZ2 LYS 48 11.094 14.905 -1.223 421 HZ3 LYS 48 HZ3 LYS 48 11.009 13.269 -1.653 422 H ARG 49 H ARG 49 4.934 12.878 -2.409 423 HA ARG 49 HA ARG 49 3.284 10.773 -3.300 424 HB2 ARG 49 HB2 ARG 49 1.998 12.444 -4.433 425 HB3 ARG 49 HB3 ARG 49 2.547 13.121 -2.908 426 HG2 ARG 49 HG2 ARG 49 4.491 14.073 -4.363 427 HG3 ARG 49 HG3 ARG 49 3.355 13.808 -5.687 428 HD2 ARG 49 HD2 ARG 49 3.040 16.042 -4.942 429 HD3 ARG 49 HD3 ARG 49 1.661 15.104 -4.360 430 HE ARG 49 HE ARG 49 3.648 15.108 -2.378 431 HH11 ARG 49 HH11 ARG 49 1.408 17.337 -3.901 432 HH12 ARG 49 HH12 ARG 49 1.332 18.388 -2.517 433 HH21 ARG 49 HH21 ARG 49 3.566 16.498 -0.573 434 HH22 ARG 49 HH22 ARG 49 2.566 17.922 -0.634 435 H THR 50 H THR 50 5.944 12.460 -4.818 436 HA THR 50 HA THR 50 5.576 11.385 -7.421 437 HB THR 50 HB THR 50 8.160 11.929 -7.481 438 HG1 THR 50 HG1 THR 50 8.171 13.844 -5.796 439 HG21 THR 50 HG21 THR 50 7.618 14.282 -7.937 440 HG22 THR 50 HG22 THR 50 6.033 14.058 -7.194 441 HG23 THR 50 HG23 THR 50 6.443 13.193 -8.675 442 H GLU 51 H GLU 51 7.442 10.421 -4.587 443 HA GLU 51 HA GLU 51 8.727 8.184 -5.721 444 HB2 GLU 51 HB2 GLU 51 9.407 9.252 -3.592 445 HB3 GLU 51 HB3 GLU 51 7.930 8.665 -2.844 446 HG2 GLU 51 HG2 GLU 51 9.805 7.282 -2.222 447 HG3 GLU 51 HG3 GLU 51 8.668 6.362 -3.205 448 H TYR 52 H TYR 52 5.659 8.621 -4.074 449 HA TYR 52 HA TYR 52 4.886 5.917 -3.983 450 HB2 TYR 52 HB2 TYR 52 3.762 7.554 -2.611 451 HB3 TYR 52 HB3 TYR 52 3.242 8.453 -4.032 452 HD1 TYR 52 HD2 TYR 52 2.997 4.970 -2.689 453 HD2 TYR 52 HD1 TYR 52 1.053 8.194 -4.668 454 HE1 TYR 52 HE2 TYR 52 0.914 3.668 -2.756 455 HE2 TYR 52 HE1 TYR 52 -1.034 6.900 -4.738 456 HH TYR 52 HH TYR 52 -1.730 4.523 -4.668 457 H GLN 53 H GLN 53 4.288 8.456 -6.394 458 HA GLN 53 HA GLN 53 2.728 6.877 -8.138 459 HB2 GLN 53 HB2 GLN 53 2.862 9.352 -8.241 460 HB3 GLN 53 HB3 GLN 53 4.520 9.216 -8.816 461 HG2 GLN 53 HG2 GLN 53 3.608 7.870 -10.739 462 HG3 GLN 53 HG3 GLN 53 2.002 8.368 -10.209 463 HE21 GLN 53 HE21 GLN 53 3.401 8.913 -12.678 464 HE22 GLN 53 HE22 GLN 53 3.480 10.636 -12.818 465 H LYS 54 H LYS 54 6.183 7.667 -8.091 466 HA LYS 54 HA LYS 54 7.034 6.135 -10.249 467 HB2 LYS 54 HB2 LYS 54 8.232 7.498 -8.020 468 HB3 LYS 54 HB3 LYS 54 9.023 5.946 -8.248 469 HG2 LYS 54 HG2 LYS 54 10.165 7.711 -9.456 470 HG3 LYS 54 HG3 LYS 54 9.499 6.513 -10.565 471 HD2 LYS 54 HD2 LYS 54 7.570 7.997 -10.964 472 HD3 LYS 54 HD3 LYS 54 8.307 9.205 -9.907 473 HE2 LYS 54 HE2 LYS 54 8.728 9.694 -12.269 474 HE3 LYS 54 HE3 LYS 54 10.225 9.363 -11.398 475 HZ1 LYS 54 HZ1 LYS 54 10.242 7.134 -12.303 476 HZ2 LYS 54 HZ2 LYS 54 10.156 8.259 -13.569 477 HZ3 LYS 54 HZ3 LYS 54 8.769 7.406 -13.103 478 H PHE 55 H PHE 55 6.522 5.213 -6.877 479 HA PHE 55 HA PHE 55 7.407 2.588 -6.946 480 HB2 PHE 55 HB2 PHE 55 6.781 3.583 -4.859 481 HB3 PHE 55 HB3 PHE 55 5.139 3.876 -5.419 482 HD1 PHE 55 HD1 PHE 55 7.533 1.173 -4.551 483 HD2 PHE 55 HD2 PHE 55 3.460 2.308 -5.051 484 HE1 PHE 55 HE1 PHE 55 6.817 -0.965 -3.562 485 HE2 PHE 55 HE2 PHE 55 2.739 0.172 -4.071 486 HZ PHE 55 HZ PHE 55 4.418 -1.468 -3.324 487 H LEU 56 H LEU 56 4.172 3.854 -7.725 488 HA LEU 56 HA LEU 56 3.049 1.366 -8.459 489 HB2 LEU 56 HB2 LEU 56 2.312 4.179 -9.270 490 HB3 LEU 56 HB3 LEU 56 1.347 2.767 -9.649 491 HG LEU 56 HG LEU 56 1.982 3.721 -6.855 492 HD11 LEU 56 HD11 LEU 56 -0.381 4.382 -6.792 493 HD12 LEU 56 HD12 LEU 56 -0.532 3.966 -8.500 494 HD13 LEU 56 HD13 LEU 56 0.528 5.285 -8.004 495 HD21 LEU 56 HD21 LEU 56 0.106 1.576 -7.848 496 HD22 LEU 56 HD22 LEU 56 0.287 2.101 -6.174 497 HD23 LEU 56 HD23 LEU 56 1.628 1.306 -6.997 498 H ASN 57 H ASN 57 4.614 3.931 -10.333 499 HA ASN 57 HA ASN 57 4.195 2.868 -12.883 500 HB2 ASN 57 HB2 ASN 57 6.287 4.686 -11.745 501 HB3 ASN 57 HB3 ASN 57 6.428 4.110 -13.401 502 HD21 ASN 57 HD21 ASN 57 3.401 4.831 -11.751 503 HD22 ASN 57 HD22 ASN 57 2.979 6.187 -12.744 504 H GLU 58 H GLU 58 6.805 2.286 -10.574 505 HA GLU 58 HA GLU 58 8.304 0.565 -12.277 506 HB2 GLU 58 HB2 GLU 58 9.254 1.803 -10.340 507 HB3 GLU 58 HB3 GLU 58 8.322 0.780 -9.259 508 HG2 GLU 58 HG2 GLU 58 10.584 0.006 -9.316 509 HG3 GLU 58 HG3 GLU 58 9.551 -1.184 -10.105 510 H TYR 59 H TYR 59 5.913 0.059 -9.720 511 HA TYR 59 HA TYR 59 6.162 -2.711 -9.455 512 HB2 TYR 59 HB2 TYR 59 4.908 -1.150 -7.931 513 HB3 TYR 59 HB3 TYR 59 3.620 -1.109 -9.127 514 HD1 TYR 59 HD1 TYR 59 5.318 -3.156 -6.601 515 HD2 TYR 59 HD2 TYR 59 2.135 -3.010 -9.428 516 HE1 TYR 59 HE1 TYR 59 4.308 -5.134 -5.560 517 HE2 TYR 59 HE2 TYR 59 1.118 -4.996 -8.388 518 HH TYR 59 HH TYR 59 1.984 -6.128 -5.382 519 H GLY 60 H GLY 60 4.213 -0.779 -11.678 520 HA2 GLY 60 HA2 GLY 60 2.868 -3.089 -12.771 521 HA3 GLY 60 HA3 GLY 60 2.721 -1.434 -13.331 522 H LEU 61 H LEU 61 5.957 -2.105 -13.140 523 HA LEU 61 HA LEU 61 6.119 -2.697 -15.989 524 HB2 LEU 61 HB2 LEU 61 8.249 -2.045 -13.952 525 HB3 LEU 61 HB3 LEU 61 8.574 -2.368 -15.643 526 HG LEU 61 HG LEU 61 6.904 -0.078 -14.603 527 HD11 LEU 61 HD11 LEU 61 9.680 -0.084 -15.779 528 HD12 LEU 61 HD12 LEU 61 9.292 0.148 -14.073 529 HD13 LEU 61 HD13 LEU 61 8.760 1.332 -15.267 530 HD21 LEU 61 HD21 LEU 61 6.181 -0.827 -16.800 531 HD22 LEU 61 HD22 LEU 61 7.842 -0.755 -17.388 532 HD23 LEU 61 HD23 LEU 61 7.009 0.725 -16.915 533 H THR 62 H THR 62 5.984 -4.386 -13.126 534 HA THR 62 HA THR 62 7.144 -6.760 -14.413 535 HB THR 62 HB THR 62 7.886 -7.426 -12.031 536 HG1 THR 62 HG1 THR 62 8.415 -4.827 -11.394 537 HG21 THR 62 HG21 THR 62 9.474 -6.966 -13.814 538 HG22 THR 62 HG22 THR 62 10.046 -6.261 -12.303 539 HG23 THR 62 HG23 THR 62 9.317 -5.232 -13.536 540 H HIS 63 H HIS 63 4.393 -5.467 -13.376 541 HA HIS 63 HA HIS 63 3.311 -8.037 -12.492 542 HB2 HIS 63 HB2 HIS 63 2.946 -5.417 -11.033 543 HB3 HIS 63 HB3 HIS 63 1.928 -6.831 -10.765 544 HD1 HIS 63 HD1 HIS 63 5.410 -5.544 -10.200 545 HD2 HIS 63 HD2 HIS 63 3.092 -8.863 -9.256 546 HE1 HIS 63 HE1 HIS 63 6.716 -6.813 -8.466 547 HE2 HIS 63 HE2 HIS 63 5.229 -8.739 -7.806 548 H SER 64 H SER 64 1.016 -8.221 -12.711 549 HA SER 64 HA SER 64 0.096 -7.114 -15.165 550 HB2 SER 64 HB2 SER 64 -0.496 -9.389 -14.329 551 HB3 SER 64 HB3 SER 64 -1.472 -8.640 -13.068 552 HG SER 64 HG SER 64 -2.125 -9.181 -15.607 553 H TYR 65 H TYR 65 -1.889 -5.913 -15.460 554 HA TYR 65 HA TYR 65 -1.939 -3.524 -14.006 555 HB2 TYR 65 HB2 TYR 65 -2.744 -3.630 -16.295 556 HB3 TYR 65 HB3 TYR 65 -4.045 -4.717 -15.821 557 HD1 TYR 65 HD1 TYR 65 -2.783 -1.253 -15.530 558 HD2 TYR 65 HD2 TYR 65 -6.083 -3.879 -14.891 559 HE1 TYR 65 HE1 TYR 65 -4.236 0.688 -15.119 560 HE2 TYR 65 HE2 TYR 65 -7.546 -1.938 -14.498 561 HH TYR 65 HH TYR 65 -7.501 0.327 -13.943 562 H GLU 66 H GLU 66 -3.894 -6.434 -13.739 563 HA GLU 66 HA GLU 66 -5.829 -5.374 -11.988 564 HB2 GLU 66 HB2 GLU 66 -5.941 -7.557 -13.292 565 HB3 GLU 66 HB3 GLU 66 -4.917 -8.246 -12.036 566 HG2 GLU 66 HG2 GLU 66 -6.660 -7.481 -10.380 567 HG3 GLU 66 HG3 GLU 66 -7.691 -7.146 -11.775 568 H THR 67 H THR 67 -2.671 -6.793 -11.497 569 HA THR 67 HA THR 67 -2.873 -7.080 -8.677 570 HB THR 67 HB THR 67 -0.337 -6.814 -10.300 571 HG1 THR 67 HG1 THR 67 -2.137 -8.976 -9.947 572 HG21 THR 67 HG21 THR 67 0.606 -8.244 -8.538 573 HG22 THR 67 HG22 THR 67 -0.943 -8.225 -7.696 574 HG23 THR 67 HG23 THR 67 -0.019 -6.733 -7.877 575 H ILE 68 H ILE 68 -1.442 -4.594 -10.800 576 HA ILE 68 HA ILE 68 -0.489 -3.012 -8.636 577 HB ILE 68 HB ILE 68 0.506 -2.792 -10.853 578 HG12 ILE 68 HG12 ILE 68 -0.823 -0.277 -9.827 579 HG13 ILE 68 HG13 ILE 68 0.746 -0.915 -9.344 580 HG21 ILE 68 HG21 ILE 68 -0.655 -1.610 -12.658 581 HG22 ILE 68 HG22 ILE 68 -2.126 -1.580 -11.684 582 HG23 ILE 68 HG23 ILE 68 -1.461 -3.120 -12.231 583 HD11 ILE 68 HD11 ILE 68 0.962 0.979 -10.854 584 HD12 ILE 68 HD12 ILE 68 0.043 0.109 -12.084 585 HD13 ILE 68 HD13 ILE 68 1.619 -0.494 -11.567 586 H ARG 69 H ARG 69 -3.496 -3.054 -10.480 587 HA ARG 69 HA ARG 69 -4.621 -0.704 -9.391 588 HB2 ARG 69 HB2 ARG 69 -5.635 -1.752 -11.331 589 HB3 ARG 69 HB3 ARG 69 -5.949 -3.223 -10.415 590 HG2 ARG 69 HG2 ARG 69 -7.442 -1.892 -8.927 591 HG3 ARG 69 HG3 ARG 69 -7.225 -0.527 -10.023 592 HD2 ARG 69 HD2 ARG 69 -8.199 -1.783 -11.841 593 HD3 ARG 69 HD3 ARG 69 -8.305 -3.223 -10.828 594 HE ARG 69 HE ARG 69 -9.718 -1.274 -9.490 595 HH11 ARG 69 HH11 ARG 69 -9.891 -2.879 -12.606 596 HH12 ARG 69 HH12 ARG 69 -11.619 -2.683 -12.748 597 HH21 ARG 69 HH21 ARG 69 -11.970 -1.011 -9.671 598 HH22 ARG 69 HH22 ARG 69 -12.807 -1.591 -11.082 599 H LYS 70 H LYS 70 -4.731 -4.090 -8.405 600 HA LYS 70 HA LYS 70 -6.423 -3.789 -6.188 601 HB2 LYS 70 HB2 LYS 70 -5.618 -5.918 -7.405 602 HB3 LYS 70 HB3 LYS 70 -4.203 -5.821 -6.371 603 HG2 LYS 70 HG2 LYS 70 -5.507 -6.128 -4.414 604 HG3 LYS 70 HG3 LYS 70 -7.012 -5.929 -5.315 605 HD2 LYS 70 HD2 LYS 70 -5.029 -8.162 -5.754 606 HD3 LYS 70 HD3 LYS 70 -6.495 -8.294 -4.782 607 HE2 LYS 70 HE2 LYS 70 -7.835 -7.719 -6.770 608 HE3 LYS 70 HE3 LYS 70 -6.357 -7.659 -7.730 609 HZ1 LYS 70 HZ1 LYS 70 -7.203 -10.085 -6.244 610 HZ2 LYS 70 HZ2 LYS 70 -6.038 -9.963 -7.475 611 HZ3 LYS 70 HZ3 LYS 70 -7.680 -9.775 -7.843 612 H LEU 71 H LEU 71 -2.890 -3.785 -6.457 613 HA LEU 71 HA LEU 71 -2.147 -3.187 -3.864 614 HB2 LEU 71 HB2 LEU 71 -0.466 -3.648 -5.468 615 HB3 LEU 71 HB3 LEU 71 -1.019 -2.371 -6.533 616 HG LEU 71 HG LEU 71 -0.267 -0.721 -4.773 617 HD11 LEU 71 HD11 LEU 71 1.366 -1.489 -3.143 618 HD12 LEU 71 HD12 LEU 71 1.101 -3.157 -3.648 619 HD13 LEU 71 HD13 LEU 71 -0.204 -2.252 -2.879 620 HD21 LEU 71 HD21 LEU 71 1.813 -2.509 -6.022 621 HD22 LEU 71 HD22 LEU 71 2.084 -0.871 -5.426 622 HD23 LEU 71 HD23 LEU 71 1.010 -1.145 -6.798 623 H ASN 72 H ASN 72 -2.758 -0.832 -6.478 624 HA ASN 72 HA ASN 72 -2.545 1.531 -5.075 625 HB2 ASN 72 HB2 ASN 72 -2.807 1.610 -7.444 626 HB3 ASN 72 HB3 ASN 72 -4.354 0.777 -7.371 627 HD21 ASN 72 HD21 ASN 72 -2.707 3.804 -6.980 628 HD22 ASN 72 HD22 ASN 72 -4.119 4.791 -6.877 629 H SER 73 H SER 73 -5.385 -0.542 -5.396 630 HA SER 73 HA SER 73 -7.238 1.125 -4.131 631 HB2 SER 73 HB2 SER 73 -7.185 -1.901 -4.220 632 HB3 SER 73 HB3 SER 73 -8.594 -0.904 -3.856 633 HG SER 73 HG SER 73 -7.142 -1.020 -6.300 634 H TYR 74 H TYR 74 -5.039 -1.316 -2.802 635 HA TYR 74 HA TYR 74 -6.001 -1.277 -0.154 636 HB2 TYR 74 HB2 TYR 74 -3.193 -1.822 -1.137 637 HB3 TYR 74 HB3 TYR 74 -3.809 -2.221 0.460 638 HD1 TYR 74 HD2 TYR 74 -6.554 -3.216 -0.511 639 HD2 TYR 74 HD1 TYR 74 -2.579 -4.001 -1.799 640 HE1 TYR 74 HE2 TYR 74 -7.257 -5.430 -1.315 641 HE2 TYR 74 HE1 TYR 74 -3.267 -6.209 -2.616 642 HH TYR 74 HH TYR 74 -5.061 -7.859 -2.144 643 H ILE 75 H ILE 75 -3.249 0.416 -1.636 644 HA ILE 75 HA ILE 75 -2.460 1.761 0.711 645 HB ILE 75 HB ILE 75 -1.953 2.651 -2.131 646 HG12 ILE 75 HG12 ILE 75 -0.325 0.763 -0.408 647 HG13 ILE 75 HG13 ILE 75 -1.339 0.265 -1.759 648 HG21 ILE 75 HG21 ILE 75 -1.385 4.317 -0.462 649 HG22 ILE 75 HG22 ILE 75 0.085 3.629 -1.153 650 HG23 ILE 75 HG23 ILE 75 -0.460 3.122 0.447 651 HD11 ILE 75 HD11 ILE 75 1.104 2.021 -1.902 652 HD12 ILE 75 HD12 ILE 75 0.068 1.608 -3.269 653 HD13 ILE 75 HD13 ILE 75 0.972 0.343 -2.435 654 H ARG 76 H ARG 76 -4.548 2.705 -1.980 655 HA ARG 76 HA ARG 76 -5.029 5.353 -1.214 656 HB2 ARG 76 HB2 ARG 76 -5.726 4.719 -3.374 657 HB3 ARG 76 HB3 ARG 76 -6.631 3.339 -2.770 658 HG2 ARG 76 HG2 ARG 76 -8.338 4.758 -1.888 659 HG3 ARG 76 HG3 ARG 76 -7.386 6.203 -2.239 660 HD2 ARG 76 HD2 ARG 76 -8.050 4.349 -4.473 661 HD3 ARG 76 HD3 ARG 76 -9.317 5.406 -3.849 662 HE ARG 76 HE ARG 76 -7.229 7.094 -4.248 663 HH11 ARG 76 HH11 ARG 76 -8.762 4.723 -6.326 664 HH12 ARG 76 HH12 ARG 76 -8.556 5.679 -7.759 665 HH21 ARG 76 HH21 ARG 76 -6.962 8.337 -6.125 666 HH22 ARG 76 HH22 ARG 76 -7.561 7.743 -7.651 667 H ASN 77 H ASN 77 -6.673 2.347 -0.292 668 HA ASN 77 HA ASN 77 -8.640 3.595 1.330 669 HB2 ASN 77 HB2 ASN 77 -7.621 0.795 1.041 670 HB3 ASN 77 HB3 ASN 77 -8.677 1.195 2.389 671 HD21 ASN 77 HD21 ASN 77 -10.189 3.172 0.918 672 HD22 ASN 77 HD22 ASN 77 -11.204 2.298 -0.178 673 H ALA 78 H ALA 78 -5.387 2.439 1.942 674 HA ALA 78 HA ALA 78 -5.495 2.571 4.771 675 HB1 ALA 78 HB1 ALA 78 -3.794 1.284 3.584 676 HB2 ALA 78 HB2 ALA 78 -3.057 2.459 4.675 677 HB3 ALA 78 HB3 ALA 78 -3.105 2.774 2.940 678 H PHE 79 H PHE 79 -4.310 4.871 2.313 679 HA PHE 79 HA PHE 79 -3.651 6.904 4.178 680 HB2 PHE 79 HB2 PHE 79 -4.069 6.848 1.212 681 HB3 PHE 79 HB3 PHE 79 -3.969 8.398 2.040 682 HD1 PHE 79 HD2 PHE 79 -1.914 8.512 3.767 683 HD2 PHE 79 HD1 PHE 79 -2.123 6.031 0.316 684 HE1 PHE 79 HE2 PHE 79 0.544 8.397 3.703 685 HE2 PHE 79 HE1 PHE 79 0.332 5.921 0.245 686 HZ PHE 79 HZ PHE 79 1.669 7.106 1.938 687 H ASP 80 H ASP 80 -6.580 6.139 2.371 688 HA ASP 80 HA ASP 80 -8.026 8.474 2.926 689 HB2 ASP 80 HB2 ASP 80 -8.702 6.702 1.294 690 HB3 ASP 80 HB3 ASP 80 -9.151 5.676 2.652 691 H ASP 81 H ASP 81 -7.619 5.501 4.810 692 HA ASP 81 HA ASP 81 -9.406 6.251 6.885 693 HB2 ASP 81 HB2 ASP 81 -8.595 3.921 6.512 694 HB3 ASP 81 HB3 ASP 81 -7.006 4.417 7.089 695 H ALA 82 H ALA 82 -5.950 6.698 6.364 696 HA ALA 82 HA ALA 82 -5.298 7.766 8.884 697 HB1 ALA 82 HB1 ALA 82 -3.990 8.260 6.212 698 HB2 ALA 82 HB2 ALA 82 -3.622 6.941 7.323 699 HB3 ALA 82 HB3 ALA 82 -3.281 8.606 7.790 700 H ILE 83 H ILE 83 -6.295 9.334 5.858 701 HA ILE 83 HA ILE 83 -6.078 11.971 6.935 702 HB ILE 83 HB ILE 83 -5.902 11.550 4.527 703 HG12 ILE 83 HG12 ILE 83 -8.207 13.351 5.288 704 HG13 ILE 83 HG13 ILE 83 -6.500 13.785 5.316 705 HG21 ILE 83 HG21 ILE 83 -7.556 9.798 4.278 706 HG22 ILE 83 HG22 ILE 83 -7.898 11.130 3.175 707 HG23 ILE 83 HG23 ILE 83 -8.848 10.939 4.649 708 HD11 ILE 83 HD11 ILE 83 -6.373 13.546 2.919 709 HD12 ILE 83 HD12 ILE 83 -7.660 14.672 3.356 710 HD13 ILE 83 HD13 ILE 83 -8.056 13.024 2.859 711 H HIS 84 H HIS 84 -8.674 9.611 6.655 712 HA HIS 84 HA HIS 84 -10.793 11.257 7.545 713 HB2 HIS 84 HB2 HIS 84 -10.293 8.302 7.573 714 HB3 HIS 84 HB3 HIS 84 -11.659 8.954 8.468 715 HD1 HIS 84 HD1 HIS 84 -13.332 7.777 6.934 716 HD2 HIS 84 HD2 HIS 84 -10.845 10.455 4.951 717 HE1 HIS 84 HE1 HIS 84 -14.339 8.074 4.648 718 HE2 HIS 84 HE2 HIS 84 -12.683 9.497 3.399 719 H GLU 85 H GLU 85 -8.205 9.625 9.158 720 HA GLU 85 HA GLU 85 -9.257 9.968 11.820 721 HB2 GLU 85 HB2 GLU 85 -7.754 8.095 11.195 722 HB3 GLU 85 HB3 GLU 85 -6.471 9.252 10.877 723 HG2 GLU 85 HG2 GLU 85 -6.017 8.358 12.993 724 HG3 GLU 85 HG3 GLU 85 -6.682 9.965 13.284 725 H GLY 86 H GLY 86 -7.425 11.814 9.569 726 HA2 GLY 86 HA2 GLY 86 -6.560 13.966 9.734 727 HA3 GLY 86 HA3 GLY 86 -7.079 14.007 11.418 728 H TYR 87 H TYR 87 -5.215 11.404 10.125 729 HA TYR 87 HA TYR 87 -3.137 11.990 12.103 730 HB2 TYR 87 HB2 TYR 87 -4.387 9.828 12.181 731 HB3 TYR 87 HB3 TYR 87 -3.728 9.429 10.600 732 HD1 TYR 87 HD2 TYR 87 -2.472 10.540 13.945 733 HD2 TYR 87 HD1 TYR 87 -1.934 8.013 10.567 734 HE1 TYR 87 HE2 TYR 87 -0.502 9.538 15.018 735 HE2 TYR 87 HE1 TYR 87 0.040 7.000 11.630 736 HH TYR 87 HH TYR 87 0.752 7.365 14.897 737 H VAL 88 H VAL 88 -3.629 12.553 8.922 738 HA VAL 88 HA VAL 88 -0.810 12.863 8.414 739 HB VAL 88 HB VAL 88 -1.418 10.466 7.756 740 HG11 VAL 88 HG11 VAL 88 -2.486 10.152 5.582 741 HG12 VAL 88 HG12 VAL 88 -2.812 11.883 5.493 742 HG13 VAL 88 HG13 VAL 88 -3.578 10.905 6.744 743 HG21 VAL 88 HG21 VAL 88 -0.036 10.508 5.755 744 HG22 VAL 88 HG22 VAL 88 0.620 11.578 6.994 745 HG23 VAL 88 HG23 VAL 88 -0.257 12.253 5.622 746 H ILE 89 H ILE 89 -0.652 13.647 5.931 747 HA ILE 89 HA ILE 89 -2.227 16.015 5.740 748 HB ILE 89 HB ILE 89 -1.063 16.316 3.556 749 HG12 ILE 89 HG12 ILE 89 0.279 13.701 4.296 750 HG13 ILE 89 HG13 ILE 89 -0.867 13.915 2.979 751 HG21 ILE 89 HG21 ILE 89 -0.109 17.162 5.634 752 HG22 ILE 89 HG22 ILE 89 1.158 16.635 4.527 753 HG23 ILE 89 HG23 ILE 89 0.708 15.622 5.897 754 HD11 ILE 89 HD11 ILE 89 1.834 15.222 3.193 755 HD12 ILE 89 HD12 ILE 89 0.689 15.420 1.866 756 HD13 ILE 89 HD13 ILE 89 1.421 13.843 2.173 757 H LYS 90 H LYS 90 -2.789 16.290 3.052 758 HA LYS 90 HA LYS 90 -5.212 14.729 2.906 759 HB2 LYS 90 HB2 LYS 90 -5.642 16.190 0.860 760 HB3 LYS 90 HB3 LYS 90 -5.586 16.978 2.428 761 HG2 LYS 90 HG2 LYS 90 -3.255 17.665 1.946 762 HG3 LYS 90 HG3 LYS 90 -3.428 16.975 0.327 763 HD2 LYS 90 HD2 LYS 90 -5.195 18.504 -0.206 764 HD3 LYS 90 HD3 LYS 90 -5.261 19.087 1.456 765 HE2 LYS 90 HE2 LYS 90 -4.122 20.715 0.128 766 HE3 LYS 90 HE3 LYS 90 -2.944 19.941 1.185 767 HZ1 LYS 90 HZ1 LYS 90 -2.201 20.262 -1.144 768 HZ2 LYS 90 HZ2 LYS 90 -3.383 19.152 -1.644 769 HZ3 LYS 90 HZ3 LYS 90 -2.129 18.653 -0.617 770 H ASN 91 H ASN 91 -2.911 13.219 2.585 771 HA ASN 91 HA ASN 91 -2.337 11.341 1.494 772 HB2 ASN 91 HB2 ASN 91 -4.657 12.016 -0.313 773 HB3 ASN 91 HB3 ASN 91 -3.743 10.513 -0.387 774 HD21 ASN 91 HD21 ASN 91 -6.517 10.750 0.097 775 HD22 ASN 91 HD22 ASN 91 -6.825 10.132 1.680 776 HA PRO 92 HA PRO 92 0.347 12.706 -1.820 777 HB2 PRO 92 HB2 PRO 92 1.601 10.110 -1.597 778 HB3 PRO 92 HB3 PRO 92 2.241 11.679 -1.107 779 HG2 PRO 92 HG2 PRO 92 1.568 9.693 0.649 780 HG3 PRO 92 HG3 PRO 92 1.564 11.417 1.059 781 HD2 PRO 92 HD2 PRO 92 -0.731 9.637 0.330 782 HD3 PRO 92 HD3 PRO 92 -0.639 10.903 1.574 783 H THR 93 H THR 93 -1.966 10.309 -1.640 784 HA THR 93 HA THR 93 -1.499 8.957 -4.134 785 HB THR 93 HB THR 93 -4.124 9.003 -2.660 786 HG1 THR 93 HG1 THR 93 -2.805 7.050 -1.614 787 HG21 THR 93 HG21 THR 93 -2.607 6.815 -4.096 788 HG22 THR 93 HG22 THR 93 -3.983 7.709 -4.741 789 HG23 THR 93 HG23 THR 93 -4.197 6.647 -3.349 790 H TYR 94 H TYR 94 -1.597 11.810 -4.346 791 HA TYR 94 HA TYR 94 -4.137 12.719 -5.250 792 HB2 TYR 94 HB2 TYR 94 -2.491 14.259 -4.322 793 HB3 TYR 94 HB3 TYR 94 -1.362 13.864 -5.612 794 HD1 TYR 94 HD1 TYR 94 -4.609 15.484 -4.886 795 HD2 TYR 94 HD2 TYR 94 -1.445 14.976 -7.685 796 HE1 TYR 94 HE1 TYR 94 -5.518 17.327 -6.235 797 HE2 TYR 94 HE2 TYR 94 -2.346 16.814 -9.048 798 HH TYR 94 HH TYR 94 -4.738 17.876 -9.353 799 H LYS 95 H LYS 95 -1.090 12.226 -7.050 800 HA LYS 95 HA LYS 95 -2.710 11.821 -9.469 801 HB2 LYS 95 HB2 LYS 95 -0.662 12.475 -10.721 802 HB3 LYS 95 HB3 LYS 95 -1.281 13.744 -9.679 803 HG2 LYS 95 HG2 LYS 95 0.457 12.901 -7.975 804 HG3 LYS 95 HG3 LYS 95 1.188 12.082 -9.358 805 HD2 LYS 95 HD2 LYS 95 0.624 15.042 -9.152 806 HD3 LYS 95 HD3 LYS 95 2.202 14.282 -8.974 807 HE2 LYS 95 HE2 LYS 95 0.533 14.035 -11.464 808 HE3 LYS 95 HE3 LYS 95 1.714 15.321 -11.220 809 HZ1 LYS 95 HZ1 LYS 95 2.579 13.402 -12.480 810 HZ2 LYS 95 HZ2 LYS 95 2.360 12.422 -11.113 811 HZ3 LYS 95 HZ3 LYS 95 3.456 13.715 -11.064 812 H ALA 96 H ALA 96 -2.483 9.715 -7.762 813 HA ALA 96 HA ALA 96 -0.306 7.990 -8.500 814 HB1 ALA 96 HB1 ALA 96 -1.348 7.900 -6.277 815 HB2 ALA 96 HB2 ALA 96 -1.408 6.342 -7.103 816 HB3 ALA 96 HB3 ALA 96 -2.851 7.353 -7.017 817 H GLU 97 H GLU 97 -0.347 7.557 -10.659 818 HA GLU 97 HA GLU 97 -2.826 6.525 -11.815 819 HB2 GLU 97 HB2 GLU 97 -0.246 7.328 -13.166 820 HB3 GLU 97 HB3 GLU 97 -1.726 6.839 -13.980 821 HG2 GLU 97 HG2 GLU 97 -2.873 8.774 -12.929 822 HG3 GLU 97 HG3 GLU 97 -1.314 9.290 -12.287 823 H LEU 98 H LEU 98 -2.893 4.574 -12.949 824 HA LEU 98 HA LEU 98 -1.095 2.562 -11.879 825 HB2 LEU 98 HB2 LEU 98 -3.608 2.323 -13.530 826 HB3 LEU 98 HB3 LEU 98 -2.687 0.961 -12.917 827 HG LEU 98 HG LEU 98 -4.082 3.040 -11.232 828 HD11 LEU 98 HD11 LEU 98 -4.751 0.153 -11.778 829 HD12 LEU 98 HD12 LEU 98 -5.662 1.564 -12.319 830 HD13 LEU 98 HD13 LEU 98 -5.561 1.185 -10.600 831 HD21 LEU 98 HD21 LEU 98 -2.592 0.546 -10.433 832 HD22 LEU 98 HD22 LEU 98 -3.492 1.607 -9.348 833 HD23 LEU 98 HD23 LEU 98 -2.054 2.207 -10.174 834 H HIS 99 H HIS 99 0.774 2.479 -12.923 835 HA HIS 99 HA HIS 99 0.787 2.637 -15.852 836 HB2 HIS 99 HB2 HIS 99 2.239 4.211 -14.582 837 HB3 HIS 99 HB3 HIS 99 3.102 2.834 -13.911 838 HD1 HIS 99 HD1 HIS 99 4.976 1.858 -15.286 839 HD2 HIS 99 HD2 HIS 99 2.654 4.579 -17.415 840 HE1 HIS 99 HE1 HIS 99 6.204 2.259 -17.444 841 HE2 HIS 99 HE2 HIS 99 4.800 3.928 -18.710 842 H ALA 100 H ALA 100 0.316 0.604 -16.527 843 HA ALA 100 HA ALA 100 2.089 -1.559 -15.596 844 HB1 ALA 100 HB1 ALA 100 -0.795 -1.805 -16.450 845 HB2 ALA 100 HB2 ALA 100 -0.196 -1.908 -14.796 846 HB3 ALA 100 HB3 ALA 100 0.260 -3.136 -15.976 847 H SER 101 H SER 101 3.510 -1.894 -17.155 848 HA SER 101 HA SER 101 2.633 -1.688 -19.954 849 HB2 SER 101 HB2 SER 101 5.423 -1.566 -18.779 850 HB3 SER 101 HB3 SER 101 5.029 -1.409 -20.490 851 HG SER 101 HG SER 101 3.667 0.412 -19.803 852 H VAL 102 H VAL 102 2.649 -3.980 -17.830 853 HA VAL 102 HA VAL 102 4.346 -5.943 -19.097 854 HB VAL 102 HB VAL 102 2.347 -6.311 -16.865 855 HG11 VAL 102 HG11 VAL 102 2.884 -8.399 -18.015 856 HG12 VAL 102 HG12 VAL 102 3.572 -8.373 -16.390 857 HG13 VAL 102 HG13 VAL 102 4.605 -8.085 -17.791 858 HG21 VAL 102 HG21 VAL 102 5.318 -5.827 -16.782 859 HG22 VAL 102 HG22 VAL 102 4.314 -6.252 -15.395 860 HG23 VAL 102 HG23 VAL 102 4.054 -4.723 -16.237 861 H LEU 103 H LEU 103 3.596 -6.365 -21.100 862 HA LEU 103 HA LEU 103 1.086 -7.888 -21.178 863 HB2 LEU 103 HB2 LEU 103 2.100 -6.001 -23.311 864 HB3 LEU 103 HB3 LEU 103 0.791 -7.139 -23.548 865 HG LEU 103 HG LEU 103 -0.279 -5.865 -21.505 866 HD11 LEU 103 HD11 LEU 103 1.584 -3.793 -22.652 867 HD12 LEU 103 HD12 LEU 103 1.645 -4.464 -21.022 868 HD13 LEU 103 HD13 LEU 103 0.268 -3.482 -21.521 869 HD21 LEU 103 HD21 LEU 103 -1.404 -4.377 -23.084 870 HD22 LEU 103 HD22 LEU 103 -1.228 -6.001 -23.749 871 HD23 LEU 103 HD23 LEU 103 -0.159 -4.706 -24.288 872 H GLU 104 H GLU 104 1.362 -9.899 -21.926 873 HA GLU 104 HA GLU 104 4.012 -10.737 -22.689 874 HB2 GLU 104 HB2 GLU 104 2.634 -12.141 -21.227 875 HB3 GLU 104 HB3 GLU 104 1.417 -12.278 -22.486 876 HG2 GLU 104 HG2 GLU 104 2.767 -14.287 -22.338 877 HG3 GLU 104 HG3 GLU 104 2.979 -13.488 -23.893 878 H HIS 105 H HIS 105 0.807 -10.678 -24.215 879 HA HIS 105 HA HIS 105 2.153 -11.045 -26.803 880 HB2 HIS 105 HB2 HIS 105 -0.031 -11.760 -27.704 881 HB3 HIS 105 HB3 HIS 105 0.513 -12.787 -26.385 882 HD1 HIS 105 HD1 HIS 105 -2.240 -10.578 -27.443 883 HD2 HIS 105 HD2 HIS 105 -0.981 -12.489 -23.974 884 HE1 HIS 105 HE1 HIS 105 -4.205 -10.500 -25.871 885 HE2 HIS 105 HE2 HIS 105 -3.415 -11.636 -23.762 886 H HIS 106 H HIS 106 1.982 -9.576 -28.377 887 HA HIS 106 HA HIS 106 0.479 -7.112 -27.749 888 HB2 HIS 106 HB2 HIS 106 3.201 -7.395 -29.045 889 HB3 HIS 106 HB3 HIS 106 2.288 -5.894 -29.007 890 HD1 HIS 106 HD1 HIS 106 3.157 -4.382 -27.283 891 HD2 HIS 106 HD2 HIS 106 3.483 -8.366 -26.128 892 HE1 HIS 106 HE1 HIS 106 4.211 -4.341 -24.998 893 HE2 HIS 106 HE2 HIS 106 4.592 -6.767 -24.414 894 H HIS 107 H HIS 107 2.221 -8.543 -30.516 895 HA HIS 107 HA HIS 107 -0.210 -8.117 -32.124 896 HB2 HIS 107 HB2 HIS 107 2.672 -7.658 -32.857 897 HB3 HIS 107 HB3 HIS 107 1.434 -7.908 -34.085 898 HD1 HIS 107 HD1 HIS 107 3.002 -5.304 -32.121 899 HD2 HIS 107 HD2 HIS 107 -0.739 -5.915 -33.841 900 HE1 HIS 107 HE1 HIS 107 1.922 -3.032 -32.236 901 HE2 HIS 107 HE2 HIS 107 -0.422 -3.474 -33.058 902 H HIS 108 H HIS 108 -0.786 -9.694 -33.571 903 HA HIS 108 HA HIS 108 0.431 -12.297 -33.051 904 HB2 HIS 108 HB2 HIS 108 -2.024 -12.025 -32.823 905 HB3 HIS 108 HB3 HIS 108 -2.119 -11.633 -34.535 906 HD1 HIS 108 HD1 HIS 108 -0.368 -14.523 -32.744 907 HD2 HIS 108 HD2 HIS 108 -3.197 -13.808 -35.707 908 HE1 HIS 108 HE1 HIS 108 -1.003 -16.780 -33.637 909 HE2 HIS 108 HE2 HIS 108 -2.901 -16.332 -35.220 910 H HIS 109 H HIS 109 -0.475 -10.258 -35.846 911 HA HIS 109 HA HIS 109 1.779 -11.351 -37.303 912 HB2 HIS 109 HB2 HIS 109 0.522 -12.122 -39.223 913 HB3 HIS 109 HB3 HIS 109 -0.036 -12.969 -37.789 914 HD1 HIS 109 HD1 HIS 109 -1.136 -10.383 -40.310 915 HD2 HIS 109 HD2 HIS 109 -2.699 -12.570 -37.130 916 HE1 HIS 109 HE1 HIS 109 -3.626 -10.073 -40.425 917 HE2 HIS 109 HE2 HIS 109 -4.548 -11.606 -38.655 918 H HIS 110 H HIS 110 1.433 -10.451 -39.756 919 HA HIS 110 HA HIS 110 0.484 -7.688 -39.623 920 HB2 HIS 110 HB2 HIS 110 2.537 -6.980 -40.925 921 HB3 HIS 110 HB3 HIS 110 2.825 -7.397 -39.242 922 HD1 HIS 110 HD1 HIS 110 3.811 -8.272 -42.682 923 HD2 HIS 110 HD2 HIS 110 4.194 -9.889 -38.873 924 HE1 HIS 110 HE1 HIS 110 5.619 -10.009 -42.862 925 HE2 HIS 110 HE2 HIS 110 5.959 -10.840 -40.509 Start of MODEL 20 1 H1 MET 1 H1 MET 1 6.178 9.088 15.297 2 H2 MET 1 H2 MET 1 5.800 10.669 14.810 3 H3 MET 1 H3 MET 1 6.994 9.795 13.986 4 HA MET 1 HA MET 1 4.125 9.076 14.105 5 HB2 MET 1 HB2 MET 1 4.670 11.152 12.790 6 HB3 MET 1 HB3 MET 1 5.700 10.166 11.763 7 HG2 MET 1 HG2 MET 1 3.809 8.873 11.028 8 HG3 MET 1 HG3 MET 1 2.750 9.722 12.153 9 HE1 MET 1 HE1 MET 1 1.951 12.235 11.849 10 HE2 MET 1 HE2 MET 1 2.670 13.327 10.664 11 HE3 MET 1 HE3 MET 1 3.654 12.676 11.976 12 H ILE 2 H ILE 2 3.639 7.439 12.351 13 HA ILE 2 HA ILE 2 5.641 5.341 12.628 14 HB ILE 2 HB ILE 2 3.276 4.934 13.312 15 HG12 ILE 2 HG12 ILE 2 4.253 3.154 11.061 16 HG13 ILE 2 HG13 ILE 2 4.816 3.074 12.728 17 HG21 ILE 2 HG21 ILE 2 2.741 5.060 10.349 18 HG22 ILE 2 HG22 ILE 2 2.162 6.200 11.563 19 HG23 ILE 2 HG23 ILE 2 1.593 4.531 11.580 20 HD11 ILE 2 HD11 ILE 2 2.004 2.555 11.792 21 HD12 ILE 2 HD12 ILE 2 2.574 2.467 13.459 22 HD13 ILE 2 HD13 ILE 2 3.191 1.335 12.255 23 H THR 3 H THR 3 6.318 4.040 10.939 24 HA THR 3 HA THR 3 6.698 5.242 8.388 25 HB THR 3 HB THR 3 7.478 2.731 7.961 26 HG1 THR 3 HG1 THR 3 7.354 1.531 9.707 27 HG21 THR 3 HG21 THR 3 8.971 4.672 8.054 28 HG22 THR 3 HG22 THR 3 9.659 3.296 8.916 29 HG23 THR 3 HG23 THR 3 8.925 4.621 9.817 30 H PHE 4 H PHE 4 5.811 4.595 6.386 31 HA PHE 4 HA PHE 4 3.065 3.955 6.506 32 HB2 PHE 4 HB2 PHE 4 3.883 5.368 4.735 33 HB3 PHE 4 HB3 PHE 4 4.937 4.087 4.139 34 HD1 PHE 4 HD2 PHE 4 1.317 4.535 4.957 35 HD2 PHE 4 HD1 PHE 4 4.227 2.995 2.260 36 HE1 PHE 4 HE2 PHE 4 -0.482 3.729 3.489 37 HE2 PHE 4 HE1 PHE 4 2.431 2.178 0.789 38 HZ PHE 4 HZ PHE 4 0.074 2.545 1.399 39 H ALA 5 H ALA 5 5.898 2.000 5.698 40 HA ALA 5 HA ALA 5 4.607 -0.222 4.630 41 HB1 ALA 5 HB1 ALA 5 7.043 0.081 4.605 42 HB2 ALA 5 HB2 ALA 5 6.580 -1.499 5.237 43 HB3 ALA 5 HB3 ALA 5 7.091 -0.223 6.342 44 H ASP 6 H ASP 6 5.643 0.271 7.990 45 HA ASP 6 HA ASP 6 4.391 -1.993 9.062 46 HB2 ASP 6 HB2 ASP 6 5.057 0.626 10.427 47 HB3 ASP 6 HB3 ASP 6 4.722 -0.898 11.240 48 H TYR 7 H TYR 7 3.282 1.326 8.641 49 HA TYR 7 HA TYR 7 0.846 1.141 10.018 50 HB2 TYR 7 HB2 TYR 7 1.676 3.306 9.379 51 HB3 TYR 7 HB3 TYR 7 1.671 2.866 7.676 52 HD1 TYR 7 HD2 TYR 7 -0.649 3.290 10.574 53 HD2 TYR 7 HD1 TYR 7 -0.141 3.445 6.353 54 HE1 TYR 7 HE2 TYR 7 -2.922 4.200 10.339 55 HE2 TYR 7 HE1 TYR 7 -2.413 4.353 6.105 56 HH TYR 7 HH TYR 7 -4.473 4.511 7.257 57 H PHE 8 H PHE 8 1.641 0.483 6.632 58 HA PHE 8 HA PHE 8 -0.981 0.105 5.714 59 HB2 PHE 8 HB2 PHE 8 0.906 0.455 4.203 60 HB3 PHE 8 HB3 PHE 8 1.600 -1.090 4.683 61 HD1 PHE 8 HD1 PHE 8 -1.336 0.450 3.022 62 HD2 PHE 8 HD2 PHE 8 0.997 -3.064 3.586 63 HE1 PHE 8 HE1 PHE 8 -2.578 -0.660 1.211 64 HE2 PHE 8 HE2 PHE 8 -0.241 -4.182 1.777 65 HZ PHE 8 HZ PHE 8 -2.030 -2.978 0.587 66 H TYR 9 H TYR 9 1.390 -2.275 6.921 67 HA TYR 9 HA TYR 9 -0.292 -4.488 6.370 68 HB2 TYR 9 HB2 TYR 9 2.196 -4.639 6.681 69 HB3 TYR 9 HB3 TYR 9 1.936 -4.419 8.411 70 HD1 TYR 9 HD1 TYR 9 1.387 -6.685 5.555 71 HD2 TYR 9 HD2 TYR 9 1.100 -6.218 9.775 72 HE1 TYR 9 HE1 TYR 9 0.972 -9.096 5.787 73 HE2 TYR 9 HE2 TYR 9 0.692 -8.630 10.019 74 HH TYR 9 HH TYR 9 1.221 -10.853 7.544 75 H GLN 10 H GLN 10 0.261 -2.571 9.317 76 HA GLN 10 HA GLN 10 -1.413 -4.232 10.909 77 HB2 GLN 10 HB2 GLN 10 -1.210 -2.588 12.636 78 HB3 GLN 10 HB3 GLN 10 0.350 -2.722 11.845 79 HG2 GLN 10 HG2 GLN 10 0.197 -0.469 12.039 80 HG3 GLN 10 HG3 GLN 10 -0.550 -0.680 10.456 81 HE21 GLN 10 HE21 GLN 10 -1.782 1.168 10.590 82 HE22 GLN 10 HE22 GLN 10 -3.121 1.329 11.670 83 H TRP 11 H TRP 11 -1.946 -1.356 8.949 84 HA TRP 11 HA TRP 11 -4.590 -0.787 9.648 85 HB2 TRP 11 HB2 TRP 11 -3.414 0.738 8.228 86 HB3 TRP 11 HB3 TRP 11 -3.086 -0.514 7.039 87 HD1 TRP 11 HD1 TRP 11 -5.926 1.769 8.270 88 HE1 TRP 11 HE1 TRP 11 -7.722 1.907 6.415 89 HE3 TRP 11 HE3 TRP 11 -4.038 -1.739 5.052 90 HZ2 TRP 11 HZ2 TRP 11 -8.245 0.682 3.934 91 HZ3 TRP 11 HZ3 TRP 11 -5.254 -2.194 2.964 92 HH2 TRP 11 HH2 TRP 11 -7.317 -1.010 2.424 93 H TYR 12 H TYR 12 -3.255 -3.059 7.313 94 HA TYR 12 HA TYR 12 -5.734 -4.076 6.404 95 HB2 TYR 12 HB2 TYR 12 -3.713 -4.361 5.090 96 HB3 TYR 12 HB3 TYR 12 -2.953 -5.273 6.387 97 HD1 TYR 12 HD2 TYR 12 -6.255 -5.483 4.636 98 HD2 TYR 12 HD1 TYR 12 -2.701 -7.487 5.831 99 HE1 TYR 12 HE2 TYR 12 -7.110 -7.568 3.664 100 HE2 TYR 12 HE1 TYR 12 -3.546 -9.579 4.856 101 HH TYR 12 HH TYR 12 -6.270 -9.662 2.804 102 H GLU 13 H GLU 13 -3.343 -5.389 8.688 103 HA GLU 13 HA GLU 13 -4.694 -7.740 9.302 104 HB2 GLU 13 HB2 GLU 13 -2.309 -7.200 9.805 105 HB3 GLU 13 HB3 GLU 13 -2.860 -6.180 11.123 106 HG2 GLU 13 HG2 GLU 13 -3.933 -8.883 11.233 107 HG3 GLU 13 HG3 GLU 13 -2.173 -8.822 11.309 108 H VAL 14 H VAL 14 -4.906 -4.564 10.868 109 HA VAL 14 HA VAL 14 -6.544 -5.449 13.014 110 HB VAL 14 HB VAL 14 -6.049 -2.676 11.916 111 HG11 VAL 14 HG11 VAL 14 -7.475 -3.457 14.457 112 HG12 VAL 14 HG12 VAL 14 -8.211 -2.709 13.039 113 HG13 VAL 14 HG13 VAL 14 -7.021 -1.818 13.989 114 HG21 VAL 14 HG21 VAL 14 -4.087 -3.710 12.884 115 HG22 VAL 14 HG22 VAL 14 -4.990 -4.123 14.342 116 HG23 VAL 14 HG23 VAL 14 -4.674 -2.433 13.949 117 H ASN 15 H ASN 15 -7.271 -4.348 9.750 118 HA ASN 15 HA ASN 15 -10.104 -4.135 10.524 119 HB2 ASN 15 HB2 ASN 15 -8.600 -2.854 8.242 120 HB3 ASN 15 HB3 ASN 15 -10.354 -2.809 8.391 121 HD21 ASN 15 HD21 ASN 15 -7.348 -1.595 9.567 122 HD22 ASN 15 HD22 ASN 15 -8.005 -0.387 10.628 123 H LYS 16 H LYS 16 -8.279 -4.978 7.572 124 HA LYS 16 HA LYS 16 -10.431 -6.836 6.885 125 HB2 LYS 16 HB2 LYS 16 -8.087 -5.971 5.169 126 HB3 LYS 16 HB3 LYS 16 -9.489 -6.882 4.639 127 HG2 LYS 16 HG2 LYS 16 -9.980 -4.781 3.859 128 HG3 LYS 16 HG3 LYS 16 -10.810 -4.766 5.415 129 HD2 LYS 16 HD2 LYS 16 -8.901 -3.602 6.417 130 HD3 LYS 16 HD3 LYS 16 -8.071 -3.623 4.862 131 HE2 LYS 16 HE2 LYS 16 -10.699 -2.253 5.419 132 HE3 LYS 16 HE3 LYS 16 -9.135 -1.453 5.332 133 HZ1 LYS 16 HZ1 LYS 16 -8.964 -2.218 3.016 134 HZ2 LYS 16 HZ2 LYS 16 -10.289 -1.197 3.262 135 HZ3 LYS 16 HZ3 LYS 16 -10.524 -2.872 3.116 136 H LEU 17 H LEU 17 -9.978 -8.644 8.158 137 HA LEU 17 HA LEU 17 -7.693 -10.185 7.266 138 HB2 LEU 17 HB2 LEU 17 -6.966 -8.797 9.259 139 HB3 LEU 17 HB3 LEU 17 -8.060 -9.768 10.224 140 HG LEU 17 HG LEU 17 -6.766 -11.800 9.429 141 HD11 LEU 17 HD11 LEU 17 -4.498 -11.405 8.620 142 HD12 LEU 17 HD12 LEU 17 -4.828 -9.674 8.542 143 HD13 LEU 17 HD13 LEU 17 -5.706 -10.786 7.494 144 HD21 LEU 17 HD21 LEU 17 -5.281 -9.736 11.049 145 HD22 LEU 17 HD22 LEU 17 -4.987 -11.475 11.056 146 HD23 LEU 17 HD23 LEU 17 -6.513 -10.836 11.665 147 HA PRO 18 HA PRO 18 -10.553 -13.179 9.689 148 HB2 PRO 18 HB2 PRO 18 -12.820 -12.219 10.839 149 HB3 PRO 18 HB3 PRO 18 -11.274 -12.314 11.691 150 HG2 PRO 18 HG2 PRO 18 -12.568 -9.965 10.366 151 HG3 PRO 18 HG3 PRO 18 -11.732 -10.049 11.928 152 HD2 PRO 18 HD2 PRO 18 -10.556 -9.076 9.695 153 HD3 PRO 18 HD3 PRO 18 -9.646 -9.929 10.957 154 H HIS 19 H HIS 19 -11.714 -10.607 7.760 155 HA HIS 19 HA HIS 19 -14.090 -12.040 6.882 156 HB2 HIS 19 HB2 HIS 19 -13.079 -9.342 5.958 157 HB3 HIS 19 HB3 HIS 19 -14.694 -10.009 5.729 158 HD2 HIS 19 HD2 HIS 19 -12.686 -7.965 8.251 159 HE1 HIS 19 HE1 HIS 19 -16.372 -8.975 10.069 160 HE2 HIS 19 HE2 HIS 19 -14.187 -7.718 10.358 161 H VAL 20 H VAL 20 -10.864 -11.900 6.072 162 HA VAL 20 HA VAL 20 -11.440 -12.764 3.318 163 HB VAL 20 HB VAL 20 -9.289 -11.809 2.591 164 HG11 VAL 20 HG11 VAL 20 -11.322 -10.492 2.302 165 HG12 VAL 20 HG12 VAL 20 -9.939 -9.447 2.629 166 HG13 VAL 20 HG13 VAL 20 -11.107 -9.789 3.907 167 HG21 VAL 20 HG21 VAL 20 -9.176 -10.663 5.379 168 HG22 VAL 20 HG22 VAL 20 -8.106 -10.212 4.052 169 HG23 VAL 20 HG23 VAL 20 -8.078 -11.858 4.686 170 H SER 21 H SER 21 -9.534 -14.040 2.413 171 HA SER 21 HA SER 21 -8.448 -15.792 4.519 172 HB2 SER 21 HB2 SER 21 -8.848 -16.443 1.589 173 HB3 SER 21 HB3 SER 21 -8.387 -17.563 2.871 174 HG SER 21 HG SER 21 -10.593 -16.450 3.705 175 H GLU 22 H GLU 22 -6.311 -16.869 3.764 176 HA GLU 22 HA GLU 22 -4.402 -14.839 3.480 177 HB2 GLU 22 HB2 GLU 22 -4.222 -17.830 3.330 178 HB3 GLU 22 HB3 GLU 22 -2.810 -16.813 3.066 179 HG2 GLU 22 HG2 GLU 22 -3.120 -15.804 5.263 180 HG3 GLU 22 HG3 GLU 22 -4.526 -16.831 5.536 181 H SER 23 H SER 23 -6.039 -16.730 1.056 182 HA SER 23 HA SER 23 -4.349 -16.225 -1.116 183 HB2 SER 23 HB2 SER 23 -6.375 -17.714 -1.144 184 HB3 SER 23 HB3 SER 23 -7.377 -16.264 -1.188 185 HG SER 23 HG SER 23 -7.127 -16.765 -3.281 186 H THR 24 H THR 24 -6.872 -14.242 0.374 187 HA THR 24 HA THR 24 -6.490 -12.020 -1.396 188 HB THR 24 HB THR 24 -7.796 -12.107 1.334 189 HG1 THR 24 HG1 THR 24 -8.740 -12.580 -1.298 190 HG21 THR 24 HG21 THR 24 -7.960 -10.054 -0.878 191 HG22 THR 24 HG22 THR 24 -7.223 -9.829 0.710 192 HG23 THR 24 HG23 THR 24 -8.966 -10.065 0.571 193 H LYS 25 H LYS 25 -5.343 -12.956 1.823 194 HA LYS 25 HA LYS 25 -3.954 -10.643 2.504 195 HB2 LYS 25 HB2 LYS 25 -3.284 -13.527 3.080 196 HB3 LYS 25 HB3 LYS 25 -2.397 -12.179 3.767 197 HG2 LYS 25 HG2 LYS 25 -4.720 -11.419 4.635 198 HG3 LYS 25 HG3 LYS 25 -5.177 -13.100 4.335 199 HD2 LYS 25 HD2 LYS 25 -4.440 -12.895 6.621 200 HD3 LYS 25 HD3 LYS 25 -3.236 -13.816 5.713 201 HE2 LYS 25 HE2 LYS 25 -2.051 -11.569 5.372 202 HE3 LYS 25 HE3 LYS 25 -3.107 -10.965 6.648 203 HZ1 LYS 25 HZ1 LYS 25 -2.190 -12.540 8.172 204 HZ2 LYS 25 HZ2 LYS 25 -0.910 -11.716 7.439 205 HZ3 LYS 25 HZ3 LYS 25 -1.287 -13.292 6.949 206 H ARG 26 H ARG 26 -3.081 -13.285 0.367 207 HA ARG 26 HA ARG 26 -0.375 -12.783 0.059 208 HB2 ARG 26 HB2 ARG 26 -1.681 -14.755 -0.833 209 HB3 ARG 26 HB3 ARG 26 -2.193 -13.718 -2.160 210 HG2 ARG 26 HG2 ARG 26 -0.329 -15.040 -2.880 211 HG3 ARG 26 HG3 ARG 26 0.190 -13.358 -2.737 212 HD2 ARG 26 HD2 ARG 26 0.945 -14.005 -0.372 213 HD3 ARG 26 HD3 ARG 26 0.782 -15.672 -0.918 214 HE ARG 26 HE ARG 26 2.551 -13.721 -2.252 215 HH11 ARG 26 HH11 ARG 26 1.953 -16.897 -0.913 216 HH12 ARG 26 HH12 ARG 26 3.522 -17.513 -1.336 217 HH21 ARG 26 HH21 ARG 26 4.605 -14.510 -2.793 218 HH22 ARG 26 HH22 ARG 26 5.042 -16.142 -2.394 219 H HIS 27 H HIS 27 -3.124 -11.245 -1.546 220 HA HIS 27 HA HIS 27 -1.525 -9.735 -3.361 221 HB2 HIS 27 HB2 HIS 27 -4.387 -9.481 -2.455 222 HB3 HIS 27 HB3 HIS 27 -3.652 -8.317 -3.552 223 HD2 HIS 27 HD2 HIS 27 -5.064 -11.917 -3.549 224 HE1 HIS 27 HE1 HIS 27 -3.846 -10.928 -7.484 225 HE2 HIS 27 HE2 HIS 27 -4.910 -12.713 -6.020 226 H TYR 28 H TYR 28 -3.108 -8.984 -0.267 227 HA TYR 28 HA TYR 28 -2.235 -6.297 -0.141 228 HB2 TYR 28 HB2 TYR 28 -3.181 -8.259 1.927 229 HB3 TYR 28 HB3 TYR 28 -2.581 -6.674 2.400 230 HD1 TYR 28 HD1 TYR 28 -5.282 -8.475 0.665 231 HD2 TYR 28 HD2 TYR 28 -3.847 -4.685 1.962 232 HE1 TYR 28 HE1 TYR 28 -7.517 -7.511 0.308 233 HE2 TYR 28 HE2 TYR 28 -6.073 -3.710 1.601 234 HH TYR 28 HH TYR 28 -8.848 -5.631 1.022 235 H GLU 29 H GLU 29 -0.854 -9.306 1.120 236 HA GLU 29 HA GLU 29 1.352 -8.064 2.380 237 HB2 GLU 29 HB2 GLU 29 0.851 -10.897 1.498 238 HB3 GLU 29 HB3 GLU 29 2.370 -10.404 2.236 239 HG2 GLU 29 HG2 GLU 29 1.057 -9.570 4.190 240 HG3 GLU 29 HG3 GLU 29 -0.372 -10.304 3.464 241 H SER 30 H SER 30 0.911 -9.493 -0.846 242 HA SER 30 HA SER 30 3.474 -9.231 -1.845 243 HB2 SER 30 HB2 SER 30 1.679 -10.216 -3.172 244 HB3 SER 30 HB3 SER 30 0.850 -8.663 -3.254 245 HG SER 30 HG SER 30 2.790 -9.623 -4.837 246 H ALA 31 H ALA 31 0.897 -6.799 -1.772 247 HA ALA 31 HA ALA 31 2.342 -4.620 -2.717 248 HB1 ALA 31 HB1 ALA 31 -0.100 -4.649 -2.359 249 HB2 ALA 31 HB2 ALA 31 0.673 -3.244 -1.625 250 HB3 ALA 31 HB3 ALA 31 0.174 -4.605 -0.619 251 H TYR 32 H TYR 32 1.856 -5.726 0.626 252 HA TYR 32 HA TYR 32 3.305 -3.743 1.923 253 HB2 TYR 32 HB2 TYR 32 1.899 -5.153 3.219 254 HB3 TYR 32 HB3 TYR 32 2.740 -6.605 2.685 255 HD1 TYR 32 HD2 TYR 32 3.428 -3.409 4.509 256 HD2 TYR 32 HD1 TYR 32 4.305 -7.553 4.097 257 HE1 TYR 32 HE2 TYR 32 4.914 -3.283 6.464 258 HE2 TYR 32 HE1 TYR 32 5.796 -7.436 6.048 259 HH TYR 32 HH TYR 32 5.864 -4.774 8.171 260 H LYS 33 H LYS 33 4.498 -6.863 0.636 261 HA LYS 33 HA LYS 33 7.082 -6.676 1.755 262 HB2 LYS 33 HB2 LYS 33 6.614 -7.934 -0.934 263 HB3 LYS 33 HB3 LYS 33 7.756 -8.406 0.314 264 HG2 LYS 33 HG2 LYS 33 4.778 -8.745 0.391 265 HG3 LYS 33 HG3 LYS 33 5.973 -10.009 0.131 266 HD2 LYS 33 HD2 LYS 33 5.887 -8.339 2.633 267 HD3 LYS 33 HD3 LYS 33 4.982 -9.842 2.464 268 HE2 LYS 33 HE2 LYS 33 7.155 -10.973 1.926 269 HE3 LYS 33 HE3 LYS 33 7.971 -9.473 2.366 270 HZ1 LYS 33 HZ1 LYS 33 6.169 -10.994 4.179 271 HZ2 LYS 33 HZ2 LYS 33 7.118 -9.648 4.588 272 HZ3 LYS 33 HZ3 LYS 33 7.861 -11.116 4.190 273 H HIS 34 H HIS 34 5.787 -5.622 -1.364 274 HA HIS 34 HA HIS 34 8.285 -4.598 -2.259 275 HB2 HIS 34 HB2 HIS 34 5.468 -4.195 -3.264 276 HB3 HIS 34 HB3 HIS 34 6.872 -3.462 -4.032 277 HD1 HIS 34 HD1 HIS 34 8.697 -5.248 -4.996 278 HD2 HIS 34 HD2 HIS 34 4.934 -6.736 -4.028 279 HE1 HIS 34 HE1 HIS 34 8.485 -7.483 -6.163 280 H ILE 35 H ILE 35 5.513 -3.252 -0.567 281 HA ILE 35 HA ILE 35 6.325 -0.548 -0.624 282 HB ILE 35 HB ILE 35 4.683 -2.063 1.412 283 HG12 ILE 35 HG12 ILE 35 3.910 -0.022 -0.686 284 HG13 ILE 35 HG13 ILE 35 3.698 -1.763 -0.840 285 HG21 ILE 35 HG21 ILE 35 5.753 -0.208 2.547 286 HG22 ILE 35 HG22 ILE 35 4.035 0.125 2.330 287 HG23 ILE 35 HG23 ILE 35 5.224 0.902 1.283 288 HD11 ILE 35 HD11 ILE 35 2.387 -0.022 1.233 289 HD12 ILE 35 HD12 ILE 35 2.143 -1.756 1.018 290 HD13 ILE 35 HD13 ILE 35 1.626 -0.629 -0.238 291 H LYS 36 H LYS 36 6.936 -3.143 1.728 292 HA LYS 36 HA LYS 36 8.547 -1.644 3.483 293 HB2 LYS 36 HB2 LYS 36 7.506 -3.873 3.957 294 HB3 LYS 36 HB3 LYS 36 8.714 -4.607 2.914 295 HG2 LYS 36 HG2 LYS 36 10.471 -3.691 4.434 296 HG3 LYS 36 HG3 LYS 36 9.176 -3.181 5.519 297 HD2 LYS 36 HD2 LYS 36 10.039 -5.310 6.261 298 HD3 LYS 36 HD3 LYS 36 8.402 -5.531 5.634 299 HE2 LYS 36 HE2 LYS 36 9.711 -7.321 4.786 300 HE3 LYS 36 HE3 LYS 36 9.440 -6.205 3.448 301 HZ1 LYS 36 HZ1 LYS 36 11.683 -6.667 3.278 302 HZ2 LYS 36 HZ2 LYS 36 11.918 -6.733 4.954 303 HZ3 LYS 36 HZ3 LYS 36 11.710 -5.235 4.187 304 H ASP 37 H ASP 37 9.221 -3.232 0.471 305 HA ASP 37 HA ASP 37 12.056 -3.233 0.661 306 HB2 ASP 37 HB2 ASP 37 11.052 -4.740 -0.885 307 HB3 ASP 37 HB3 ASP 37 10.160 -3.443 -1.674 308 H HIS 38 H HIS 38 9.734 -1.019 -0.869 309 HA HIS 38 HA HIS 38 11.895 0.737 -1.704 310 HB2 HIS 38 HB2 HIS 38 8.901 1.024 -2.005 311 HB3 HIS 38 HB3 HIS 38 10.094 2.118 -2.696 312 HD1 HIS 38 HD1 HIS 38 8.254 -0.948 -3.371 313 HD2 HIS 38 HD2 HIS 38 11.773 0.800 -4.715 314 HE1 HIS 38 HE1 HIS 38 8.765 -2.062 -5.563 315 HE2 HIS 38 HE2 HIS 38 11.011 -1.156 -6.237 316 H PHE 39 H PHE 39 9.572 0.491 0.837 317 HA PHE 39 HA PHE 39 10.475 3.078 1.923 318 HB2 PHE 39 HB2 PHE 39 7.702 1.897 2.246 319 HB3 PHE 39 HB3 PHE 39 8.256 3.462 2.829 320 HD1 PHE 39 HD1 PHE 39 8.830 5.231 1.177 321 HD2 PHE 39 HD2 PHE 39 6.867 1.631 0.066 322 HE1 PHE 39 HE1 PHE 39 8.081 6.297 -0.903 323 HE2 PHE 39 HE2 PHE 39 6.117 2.679 -2.030 324 HZ PHE 39 HZ PHE 39 6.724 5.019 -2.519 325 H ARG 40 H ARG 40 12.071 1.822 3.097 326 HA ARG 40 HA ARG 40 11.195 -0.118 5.038 327 HB2 ARG 40 HB2 ARG 40 13.834 1.347 4.784 328 HB3 ARG 40 HB3 ARG 40 13.516 0.064 5.937 329 HG2 ARG 40 HG2 ARG 40 14.719 -0.902 4.165 330 HG3 ARG 40 HG3 ARG 40 13.048 -1.434 3.972 331 HD2 ARG 40 HD2 ARG 40 14.132 -0.752 1.849 332 HD3 ARG 40 HD3 ARG 40 12.677 0.166 2.231 333 HE ARG 40 HE ARG 40 14.829 1.604 3.237 334 HH11 ARG 40 HH11 ARG 40 13.692 0.486 0.127 335 HH12 ARG 40 HH12 ARG 40 14.317 1.854 -0.749 336 HH21 ARG 40 HH21 ARG 40 15.702 3.398 2.099 337 HH22 ARG 40 HH22 ARG 40 15.468 3.511 0.376 338 H HIS 41 H HIS 41 12.870 2.987 5.432 339 HA HIS 41 HA HIS 41 11.020 3.581 7.634 340 HB2 HIS 41 HB2 HIS 41 13.979 4.064 7.455 341 HB3 HIS 41 HB3 HIS 41 12.961 5.056 8.500 342 HD1 HIS 41 HD1 HIS 41 12.543 4.167 10.769 343 HD2 HIS 41 HD2 HIS 41 13.731 1.190 8.119 344 HE1 HIS 41 HE1 HIS 41 12.751 2.072 12.147 345 HE2 HIS 41 HE2 HIS 41 13.363 0.261 10.501 346 H LYS 42 H LYS 42 9.678 4.495 6.106 347 HA LYS 42 HA LYS 42 10.329 7.295 5.634 348 HB2 LYS 42 HB2 LYS 42 10.680 6.188 3.479 349 HB3 LYS 42 HB3 LYS 42 9.097 5.433 3.584 350 HG2 LYS 42 HG2 LYS 42 7.985 7.484 3.255 351 HG3 LYS 42 HG3 LYS 42 9.458 8.415 3.521 352 HD2 LYS 42 HD2 LYS 42 9.083 6.479 1.241 353 HD3 LYS 42 HD3 LYS 42 8.720 8.199 1.123 354 HE2 LYS 42 HE2 LYS 42 11.398 7.425 2.132 355 HE3 LYS 42 HE3 LYS 42 11.071 7.180 0.417 356 HZ1 LYS 42 HZ1 LYS 42 10.607 9.765 1.808 357 HZ2 LYS 42 HZ2 LYS 42 10.626 9.473 0.131 358 HZ3 LYS 42 HZ3 LYS 42 12.064 9.379 1.026 359 H LEU 43 H LEU 43 8.981 8.243 6.971 360 HA LEU 43 HA LEU 43 6.655 7.189 8.075 361 HB2 LEU 43 HB2 LEU 43 7.259 10.120 7.645 362 HB3 LEU 43 HB3 LEU 43 6.168 9.443 8.837 363 HG LEU 43 HG LEU 43 9.159 9.047 8.811 364 HD11 LEU 43 HD11 LEU 43 9.170 10.539 10.737 365 HD12 LEU 43 HD12 LEU 43 7.432 10.788 10.566 366 HD13 LEU 43 HD13 LEU 43 8.532 11.356 9.310 367 HD21 LEU 43 HD21 LEU 43 7.088 8.299 10.870 368 HD22 LEU 43 HD22 LEU 43 8.833 8.086 11.022 369 HD23 LEU 43 HD23 LEU 43 7.935 7.177 9.806 370 H LEU 44 H LEU 44 4.413 7.644 7.693 371 HA LEU 44 HA LEU 44 3.798 7.747 4.904 372 HB2 LEU 44 HB2 LEU 44 1.527 7.434 5.468 373 HB3 LEU 44 HB3 LEU 44 2.468 6.460 6.576 374 HG LEU 44 HG LEU 44 1.345 9.159 7.318 375 HD11 LEU 44 HD11 LEU 44 0.163 6.429 7.813 376 HD12 LEU 44 HD12 LEU 44 -0.458 7.619 6.671 377 HD13 LEU 44 HD13 LEU 44 -0.472 7.967 8.400 378 HD21 LEU 44 HD21 LEU 44 3.186 8.372 8.711 379 HD22 LEU 44 HD22 LEU 44 2.351 6.839 8.964 380 HD23 LEU 44 HD23 LEU 44 1.663 8.333 9.599 381 H LYS 45 H LYS 45 4.478 10.181 7.079 382 HA LYS 45 HA LYS 45 2.949 12.213 5.641 383 HB2 LYS 45 HB2 LYS 45 3.852 13.797 7.228 384 HB3 LYS 45 HB3 LYS 45 3.261 12.396 8.115 385 HG2 LYS 45 HG2 LYS 45 5.384 11.671 8.655 386 HG3 LYS 45 HG3 LYS 45 6.134 12.534 7.312 387 HD2 LYS 45 HD2 LYS 45 4.949 13.800 9.782 388 HD3 LYS 45 HD3 LYS 45 6.670 13.573 9.463 389 HE2 LYS 45 HE2 LYS 45 4.730 15.335 7.980 390 HE3 LYS 45 HE3 LYS 45 6.136 15.830 8.920 391 HZ1 LYS 45 HZ1 LYS 45 7.515 14.600 7.255 392 HZ2 LYS 45 HZ2 LYS 45 6.718 15.964 6.641 393 HZ3 LYS 45 HZ3 LYS 45 6.118 14.417 6.312 394 H ASP 46 H ASP 46 5.814 10.556 5.291 395 HA ASP 46 HA ASP 46 7.300 12.791 4.134 396 HB2 ASP 46 HB2 ASP 46 8.462 11.165 5.641 397 HB3 ASP 46 HB3 ASP 46 8.141 9.899 4.459 398 H ILE 47 H ILE 47 5.625 9.865 3.327 399 HA ILE 47 HA ILE 47 6.400 9.747 0.598 400 HB ILE 47 HB ILE 47 3.981 8.550 1.959 401 HG12 ILE 47 HG12 ILE 47 6.729 7.445 1.346 402 HG13 ILE 47 HG13 ILE 47 6.050 7.755 2.939 403 HG21 ILE 47 HG21 ILE 47 3.898 7.027 0.035 404 HG22 ILE 47 HG22 ILE 47 5.225 7.910 -0.719 405 HG23 ILE 47 HG23 ILE 47 3.672 8.705 -0.461 406 HD11 ILE 47 HD11 ILE 47 4.403 6.007 2.587 407 HD12 ILE 47 HD12 ILE 47 6.048 5.392 2.400 408 HD13 ILE 47 HD13 ILE 47 5.059 5.713 0.976 409 H LYS 48 H LYS 48 5.511 10.632 -1.142 410 HA LYS 48 HA LYS 48 3.074 12.213 -0.885 411 HB2 LYS 48 HB2 LYS 48 4.083 14.177 -1.783 412 HB3 LYS 48 HB3 LYS 48 5.107 13.635 -0.461 413 HG2 LYS 48 HG2 LYS 48 6.518 12.489 -2.227 414 HG3 LYS 48 HG3 LYS 48 5.613 13.444 -3.404 415 HD2 LYS 48 HD2 LYS 48 7.584 14.665 -2.924 416 HD3 LYS 48 HD3 LYS 48 6.272 15.480 -2.068 417 HE2 LYS 48 HE2 LYS 48 6.903 14.398 0.001 418 HE3 LYS 48 HE3 LYS 48 8.151 13.475 -0.833 419 HZ1 LYS 48 HZ1 LYS 48 9.145 15.313 0.294 420 HZ2 LYS 48 HZ2 LYS 48 8.088 16.416 -0.438 421 HZ3 LYS 48 HZ3 LYS 48 9.240 15.602 -1.374 422 H ARG 49 H ARG 49 2.906 13.266 -3.375 423 HA ARG 49 HA ARG 49 2.068 11.060 -4.858 424 HB2 ARG 49 HB2 ARG 49 1.793 12.668 -6.734 425 HB3 ARG 49 HB3 ARG 49 1.060 13.186 -5.224 426 HG2 ARG 49 HG2 ARG 49 3.125 14.571 -4.831 427 HG3 ARG 49 HG3 ARG 49 3.579 14.201 -6.499 428 HD2 ARG 49 HD2 ARG 49 1.463 15.154 -7.277 429 HD3 ARG 49 HD3 ARG 49 1.023 15.530 -5.612 430 HE ARG 49 HE ARG 49 3.389 16.718 -6.922 431 HH11 ARG 49 HH11 ARG 49 0.455 17.007 -5.030 432 HH12 ARG 49 HH12 ARG 49 0.628 18.720 -4.798 433 HH21 ARG 49 HH21 ARG 49 3.620 18.961 -6.594 434 HH22 ARG 49 HH22 ARG 49 2.434 19.824 -5.664 435 H THR 50 H THR 50 5.129 12.840 -5.034 436 HA THR 50 HA THR 50 6.059 11.477 -7.358 437 HB THR 50 HB THR 50 8.281 12.363 -6.766 438 HG1 THR 50 HG1 THR 50 8.391 12.354 -4.577 439 HG21 THR 50 HG21 THR 50 6.750 13.805 -7.978 440 HG22 THR 50 HG22 THR 50 7.690 14.763 -6.831 441 HG23 THR 50 HG23 THR 50 6.017 14.335 -6.466 442 H GLU 51 H GLU 51 6.278 10.912 -3.906 443 HA GLU 51 HA GLU 51 8.212 8.836 -4.014 444 HB2 GLU 51 HB2 GLU 51 6.108 9.372 -1.903 445 HB3 GLU 51 HB3 GLU 51 7.554 8.389 -1.701 446 HG2 GLU 51 HG2 GLU 51 7.434 11.351 -2.182 447 HG3 GLU 51 HG3 GLU 51 7.848 10.545 -0.671 448 H TYR 52 H TYR 52 4.722 8.978 -4.108 449 HA TYR 52 HA TYR 52 4.236 6.185 -4.012 450 HB2 TYR 52 HB2 TYR 52 2.590 8.020 -3.509 451 HB3 TYR 52 HB3 TYR 52 2.509 8.342 -5.235 452 HD1 TYR 52 HD2 TYR 52 2.616 5.052 -3.496 453 HD2 TYR 52 HD1 TYR 52 0.315 7.797 -5.794 454 HE1 TYR 52 HE2 TYR 52 0.825 3.382 -3.691 455 HE2 TYR 52 HE1 TYR 52 -1.480 6.133 -5.991 456 HH TYR 52 HH TYR 52 -1.936 3.887 -5.768 457 H GLN 53 H GLN 53 4.681 8.528 -6.607 458 HA GLN 53 HA GLN 53 4.095 6.908 -8.796 459 HB2 GLN 53 HB2 GLN 53 4.434 9.341 -8.939 460 HB3 GLN 53 HB3 GLN 53 6.147 9.119 -8.612 461 HG2 GLN 53 HG2 GLN 53 5.802 9.471 -10.966 462 HG3 GLN 53 HG3 GLN 53 6.357 7.821 -10.685 463 HE21 GLN 53 HE21 GLN 53 4.937 6.107 -11.019 464 HE22 GLN 53 HE22 GLN 53 3.465 6.294 -11.909 465 H LYS 54 H LYS 54 7.102 7.287 -6.966 466 HA LYS 54 HA LYS 54 8.835 5.792 -8.564 467 HB2 LYS 54 HB2 LYS 54 8.741 5.874 -5.540 468 HB3 LYS 54 HB3 LYS 54 10.119 5.379 -6.510 469 HG2 LYS 54 HG2 LYS 54 10.419 7.601 -7.336 470 HG3 LYS 54 HG3 LYS 54 8.908 8.133 -6.591 471 HD2 LYS 54 HD2 LYS 54 9.846 7.657 -4.374 472 HD3 LYS 54 HD3 LYS 54 11.357 7.147 -5.127 473 HE2 LYS 54 HE2 LYS 54 10.141 9.898 -5.346 474 HE3 LYS 54 HE3 LYS 54 11.453 9.451 -4.255 475 HZ1 LYS 54 HZ1 LYS 54 12.385 10.458 -6.177 476 HZ2 LYS 54 HZ2 LYS 54 11.509 9.451 -7.221 477 HZ3 LYS 54 HZ3 LYS 54 12.743 8.799 -6.254 478 H PHE 55 H PHE 55 6.789 4.745 -5.883 479 HA PHE 55 HA PHE 55 7.447 2.016 -5.970 480 HB2 PHE 55 HB2 PHE 55 6.429 3.036 -4.013 481 HB3 PHE 55 HB3 PHE 55 4.977 3.424 -4.926 482 HD1 PHE 55 HD1 PHE 55 7.059 0.436 -4.118 483 HD2 PHE 55 HD2 PHE 55 3.166 2.077 -4.614 484 HE1 PHE 55 HE1 PHE 55 6.072 -1.717 -3.449 485 HE2 PHE 55 HE2 PHE 55 2.170 -0.071 -3.952 486 HZ PHE 55 HZ PHE 55 3.623 -1.974 -3.367 487 H LEU 56 H LEU 56 4.793 3.845 -7.463 488 HA LEU 56 HA LEU 56 3.398 1.646 -8.512 489 HB2 LEU 56 HB2 LEU 56 3.548 4.492 -9.500 490 HB3 LEU 56 HB3 LEU 56 2.406 3.301 -10.090 491 HG LEU 56 HG LEU 56 2.547 4.356 -7.263 492 HD11 LEU 56 HD11 LEU 56 0.426 5.429 -7.805 493 HD12 LEU 56 HD12 LEU 56 0.531 4.819 -9.456 494 HD13 LEU 56 HD13 LEU 56 1.712 5.993 -8.874 495 HD21 LEU 56 HD21 LEU 56 1.796 2.049 -7.286 496 HD22 LEU 56 HD22 LEU 56 0.637 2.414 -8.564 497 HD23 LEU 56 HD23 LEU 56 0.433 3.119 -6.961 498 H ASN 57 H ASN 57 5.955 3.664 -9.923 499 HA ASN 57 HA ASN 57 5.834 2.581 -12.507 500 HB2 ASN 57 HB2 ASN 57 7.944 4.040 -10.972 501 HB3 ASN 57 HB3 ASN 57 8.356 3.315 -12.522 502 HD21 ASN 57 HD21 ASN 57 8.333 6.096 -11.824 503 HD22 ASN 57 HD22 ASN 57 7.196 6.871 -12.878 504 H GLU 58 H GLU 58 7.926 1.699 -9.770 505 HA GLU 58 HA GLU 58 9.288 -0.335 -11.223 506 HB2 GLU 58 HB2 GLU 58 9.081 0.142 -8.243 507 HB3 GLU 58 HB3 GLU 58 10.193 -0.988 -9.006 508 HG2 GLU 58 HG2 GLU 58 11.239 0.883 -10.206 509 HG3 GLU 58 HG3 GLU 58 10.150 1.998 -9.385 510 H TYR 59 H TYR 59 6.389 -0.288 -9.264 511 HA TYR 59 HA TYR 59 6.249 -3.149 -9.003 512 HB2 TYR 59 HB2 TYR 59 5.220 -1.536 -7.372 513 HB3 TYR 59 HB3 TYR 59 4.021 -1.143 -8.600 514 HD1 TYR 59 HD2 TYR 59 5.276 -3.799 -6.376 515 HD2 TYR 59 HD1 TYR 59 2.185 -2.613 -9.048 516 HE1 TYR 59 HE2 TYR 59 3.910 -5.700 -5.627 517 HE2 TYR 59 HE1 TYR 59 0.808 -4.509 -8.306 518 HH TYR 59 HH TYR 59 1.615 -6.414 -5.568 519 H GLY 60 H GLY 60 4.855 -0.709 -11.121 520 HA2 GLY 60 HA2 GLY 60 2.975 -2.432 -12.376 521 HA3 GLY 60 HA3 GLY 60 3.506 -0.867 -12.970 522 H LEU 61 H LEU 61 6.351 -1.808 -12.938 523 HA LEU 61 HA LEU 61 6.335 -2.841 -15.620 524 HB2 LEU 61 HB2 LEU 61 8.637 -2.340 -13.727 525 HB3 LEU 61 HB3 LEU 61 8.794 -2.727 -15.429 526 HG LEU 61 HG LEU 61 7.526 -0.231 -14.300 527 HD11 LEU 61 HD11 LEU 61 9.463 0.900 -15.292 528 HD12 LEU 61 HD12 LEU 61 10.142 -0.668 -15.732 529 HD13 LEU 61 HD13 LEU 61 9.935 -0.242 -14.034 530 HD21 LEU 61 HD21 LEU 61 6.468 -0.952 -16.385 531 HD22 LEU 61 HD22 LEU 61 8.051 -1.020 -17.163 532 HD23 LEU 61 HD23 LEU 61 7.406 0.524 -16.608 533 H THR 62 H THR 62 6.063 -4.313 -12.652 534 HA THR 62 HA THR 62 7.302 -6.790 -13.660 535 HB THR 62 HB THR 62 7.687 -7.358 -11.217 536 HG1 THR 62 HG1 THR 62 7.759 -4.657 -10.572 537 HG21 THR 62 HG21 THR 62 9.155 -4.991 -12.384 538 HG22 THR 62 HG22 THR 62 9.521 -6.692 -12.669 539 HG23 THR 62 HG23 THR 62 9.741 -6.000 -11.061 540 H HIS 63 H HIS 63 4.405 -5.463 -13.220 541 HA HIS 63 HA HIS 63 3.156 -7.977 -12.414 542 HB2 HIS 63 HB2 HIS 63 2.732 -5.349 -10.985 543 HB3 HIS 63 HB3 HIS 63 1.592 -6.686 -10.880 544 HD1 HIS 63 HD1 HIS 63 5.150 -5.784 -9.953 545 HD2 HIS 63 HD2 HIS 63 2.278 -8.676 -9.104 546 HE1 HIS 63 HE1 HIS 63 6.076 -7.127 -8.037 547 HE2 HIS 63 HE2 HIS 63 4.307 -8.840 -7.505 548 H SER 64 H SER 64 0.771 -7.941 -12.762 549 HA SER 64 HA SER 64 0.151 -6.840 -15.313 550 HB2 SER 64 HB2 SER 64 -1.580 -8.221 -13.248 551 HB3 SER 64 HB3 SER 64 -2.129 -7.782 -14.866 552 HG SER 64 HG SER 64 -0.010 -9.560 -14.194 553 H TYR 65 H TYR 65 -1.711 -5.462 -15.766 554 HA TYR 65 HA TYR 65 -1.544 -3.011 -14.463 555 HB2 TYR 65 HB2 TYR 65 -2.336 -3.175 -16.754 556 HB3 TYR 65 HB3 TYR 65 -3.756 -4.076 -16.229 557 HD1 TYR 65 HD1 TYR 65 -2.103 -0.774 -16.125 558 HD2 TYR 65 HD2 TYR 65 -5.694 -2.945 -15.388 559 HE1 TYR 65 HE1 TYR 65 -3.315 1.345 -15.823 560 HE2 TYR 65 HE2 TYR 65 -6.916 -0.830 -15.102 561 HH TYR 65 HH TYR 65 -5.601 2.205 -15.948 562 H GLU 66 H GLU 66 -3.903 -5.631 -14.034 563 HA GLU 66 HA GLU 66 -5.562 -4.069 -12.327 564 HB2 GLU 66 HB2 GLU 66 -6.367 -6.072 -13.598 565 HB3 GLU 66 HB3 GLU 66 -5.463 -7.084 -12.474 566 HG2 GLU 66 HG2 GLU 66 -6.780 -6.256 -10.622 567 HG3 GLU 66 HG3 GLU 66 -7.641 -5.161 -11.705 568 H THR 67 H THR 67 -2.808 -6.157 -11.839 569 HA THR 67 HA THR 67 -3.039 -6.579 -9.077 570 HB THR 67 HB THR 67 -0.406 -6.229 -10.505 571 HG1 THR 67 HG1 THR 67 -1.685 -8.722 -10.455 572 HG21 THR 67 HG21 THR 67 -0.320 -6.654 -8.097 573 HG22 THR 67 HG22 THR 67 0.285 -8.044 -8.998 574 HG23 THR 67 HG23 THR 67 -1.337 -8.080 -8.307 575 H ILE 68 H ILE 68 -1.360 -4.035 -10.920 576 HA ILE 68 HA ILE 68 -0.618 -2.587 -8.573 577 HB ILE 68 HB ILE 68 0.704 -2.392 -10.628 578 HG12 ILE 68 HG12 ILE 68 -0.555 0.227 -9.789 579 HG13 ILE 68 HG13 ILE 68 0.771 -0.584 -8.964 580 HG21 ILE 68 HG21 ILE 68 -0.087 -1.057 -12.520 581 HG22 ILE 68 HG22 ILE 68 -1.677 -0.944 -11.766 582 HG23 ILE 68 HG23 ILE 68 -1.058 -2.510 -12.289 583 HD11 ILE 68 HD11 ILE 68 2.190 -0.274 -10.919 584 HD12 ILE 68 HD12 ILE 68 1.552 1.266 -10.343 585 HD13 ILE 68 HD13 ILE 68 0.854 0.503 -11.771 586 H ARG 69 H ARG 69 -3.349 -2.500 -10.783 587 HA ARG 69 HA ARG 69 -4.455 -0.042 -9.981 588 HB2 ARG 69 HB2 ARG 69 -5.205 -1.275 -11.984 589 HB3 ARG 69 HB3 ARG 69 -5.907 -2.515 -10.952 590 HG2 ARG 69 HG2 ARG 69 -7.424 -0.835 -9.996 591 HG3 ARG 69 HG3 ARG 69 -6.744 0.376 -11.080 592 HD2 ARG 69 HD2 ARG 69 -8.819 -0.438 -11.991 593 HD3 ARG 69 HD3 ARG 69 -7.486 -0.987 -13.004 594 HE ARG 69 HE ARG 69 -7.797 -3.182 -12.167 595 HH11 ARG 69 HH11 ARG 69 -10.178 -0.903 -10.976 596 HH12 ARG 69 HH12 ARG 69 -11.338 -2.131 -10.579 597 HH21 ARG 69 HH21 ARG 69 -9.335 -4.811 -11.637 598 HH22 ARG 69 HH22 ARG 69 -10.858 -4.350 -10.938 599 H LYS 70 H LYS 70 -5.014 -3.347 -8.754 600 HA LYS 70 HA LYS 70 -6.888 -2.494 -6.786 601 HB2 LYS 70 HB2 LYS 70 -6.690 -4.740 -5.854 602 HB3 LYS 70 HB3 LYS 70 -6.873 -4.801 -7.598 603 HG2 LYS 70 HG2 LYS 70 -4.290 -4.962 -7.615 604 HG3 LYS 70 HG3 LYS 70 -4.480 -5.419 -5.922 605 HD2 LYS 70 HD2 LYS 70 -5.917 -6.796 -8.188 606 HD3 LYS 70 HD3 LYS 70 -4.358 -7.326 -7.568 607 HE2 LYS 70 HE2 LYS 70 -6.032 -8.666 -6.539 608 HE3 LYS 70 HE3 LYS 70 -5.419 -7.556 -5.317 609 HZ1 LYS 70 HZ1 LYS 70 -7.866 -7.814 -5.322 610 HZ2 LYS 70 HZ2 LYS 70 -7.918 -7.103 -6.861 611 HZ3 LYS 70 HZ3 LYS 70 -7.354 -6.216 -5.531 612 H LEU 71 H LEU 71 -3.419 -2.985 -6.823 613 HA LEU 71 HA LEU 71 -2.780 -2.524 -4.158 614 HB2 LEU 71 HB2 LEU 71 -1.047 -3.150 -5.616 615 HB3 LEU 71 HB3 LEU 71 -1.426 -1.876 -6.757 616 HG LEU 71 HG LEU 71 -0.622 -0.228 -5.025 617 HD11 LEU 71 HD11 LEU 71 0.843 -1.069 -3.272 618 HD12 LEU 71 HD12 LEU 71 0.449 -2.727 -3.727 619 HD13 LEU 71 HD13 LEU 71 -0.801 -1.672 -3.068 620 HD21 LEU 71 HD21 LEU 71 1.744 -0.648 -5.529 621 HD22 LEU 71 HD22 LEU 71 0.715 -0.836 -6.949 622 HD23 LEU 71 HD23 LEU 71 1.323 -2.260 -6.105 623 H ASN 72 H ASN 72 -3.199 -0.192 -6.789 624 HA ASN 72 HA ASN 72 -2.786 2.182 -5.416 625 HB2 ASN 72 HB2 ASN 72 -3.034 1.977 -7.872 626 HB3 ASN 72 HB3 ASN 72 -4.751 1.658 -7.662 627 HD21 ASN 72 HD21 ASN 72 -5.421 3.402 -8.837 628 HD22 ASN 72 HD22 ASN 72 -5.229 5.031 -8.288 629 H SER 73 H SER 73 -5.714 0.242 -5.719 630 HA SER 73 HA SER 73 -7.485 2.056 -4.485 631 HB2 SER 73 HB2 SER 73 -8.133 0.072 -5.887 632 HB3 SER 73 HB3 SER 73 -7.694 -0.963 -4.529 633 HG SER 73 HG SER 73 -9.624 1.123 -4.398 634 H TYR 74 H TYR 74 -5.396 -0.492 -3.200 635 HA TYR 74 HA TYR 74 -6.492 -0.510 -0.580 636 HB2 TYR 74 HB2 TYR 74 -3.686 -1.278 -1.412 637 HB3 TYR 74 HB3 TYR 74 -4.493 -1.738 0.081 638 HD1 TYR 74 HD1 TYR 74 -7.217 -2.295 -1.361 639 HD2 TYR 74 HD2 TYR 74 -3.205 -3.529 -2.057 640 HE1 TYR 74 HE1 TYR 74 -8.038 -4.339 -2.451 641 HE2 TYR 74 HE2 TYR 74 -4.012 -5.570 -3.152 642 HH TYR 74 HH TYR 74 -6.186 -6.995 -3.030 643 H ILE 75 H ILE 75 -3.645 1.084 -1.971 644 HA ILE 75 HA ILE 75 -2.820 2.276 0.461 645 HB ILE 75 HB ILE 75 -2.148 3.010 -2.393 646 HG12 ILE 75 HG12 ILE 75 -0.694 1.367 -0.311 647 HG13 ILE 75 HG13 ILE 75 -1.507 0.735 -1.737 648 HG21 ILE 75 HG21 ILE 75 -0.231 4.213 -1.479 649 HG22 ILE 75 HG22 ILE 75 -0.788 3.864 0.159 650 HG23 ILE 75 HG23 ILE 75 -1.748 4.902 -0.895 651 HD11 ILE 75 HD11 ILE 75 0.884 0.782 -2.062 652 HD12 ILE 75 HD12 ILE 75 0.922 2.510 -1.709 653 HD13 ILE 75 HD13 ILE 75 0.100 1.922 -3.154 654 H ARG 76 H ARG 76 -4.903 3.382 -2.170 655 HA ARG 76 HA ARG 76 -5.252 6.019 -1.233 656 HB2 ARG 76 HB2 ARG 76 -6.903 4.215 -2.980 657 HB3 ARG 76 HB3 ARG 76 -7.520 5.787 -2.485 658 HG2 ARG 76 HG2 ARG 76 -5.554 6.862 -3.467 659 HG3 ARG 76 HG3 ARG 76 -4.957 5.285 -3.981 660 HD2 ARG 76 HD2 ARG 76 -6.761 5.005 -5.498 661 HD3 ARG 76 HD3 ARG 76 -7.619 6.397 -4.836 662 HE ARG 76 HE ARG 76 -5.173 7.331 -5.723 663 HH11 ARG 76 HH11 ARG 76 -7.918 5.723 -7.182 664 HH12 ARG 76 HH12 ARG 76 -7.773 6.580 -8.692 665 HH21 ARG 76 HH21 ARG 76 -4.961 8.444 -7.691 666 HH22 ARG 76 HH22 ARG 76 -6.082 8.132 -8.989 667 H ASN 77 H ASN 77 -6.944 3.006 -0.488 668 HA ASN 77 HA ASN 77 -8.896 4.195 1.203 669 HB2 ASN 77 HB2 ASN 77 -9.155 1.954 0.167 670 HB3 ASN 77 HB3 ASN 77 -7.870 1.343 1.197 671 HD21 ASN 77 HD21 ASN 77 -10.258 3.644 2.313 672 HD22 ASN 77 HD22 ASN 77 -11.066 2.561 3.392 673 H ALA 78 H ALA 78 -5.719 2.760 1.763 674 HA ALA 78 HA ALA 78 -5.762 2.765 4.570 675 HB1 ALA 78 HB1 ALA 78 -3.340 2.576 4.444 676 HB2 ALA 78 HB2 ALA 78 -3.380 3.044 2.744 677 HB3 ALA 78 HB3 ALA 78 -4.115 1.525 3.256 678 H PHE 79 H PHE 79 -4.582 5.216 2.279 679 HA PHE 79 HA PHE 79 -3.825 7.034 4.350 680 HB2 PHE 79 HB2 PHE 79 -3.921 7.134 1.383 681 HB3 PHE 79 HB3 PHE 79 -3.941 8.670 2.246 682 HD1 PHE 79 HD2 PHE 79 -2.110 9.087 3.961 683 HD2 PHE 79 HD1 PHE 79 -1.909 6.002 1.036 684 HE1 PHE 79 HE2 PHE 79 0.327 8.965 4.266 685 HE2 PHE 79 HE1 PHE 79 0.530 5.872 1.340 686 HZ PHE 79 HZ PHE 79 1.649 7.355 2.956 687 H ASP 80 H ASP 80 -6.719 6.514 2.452 688 HA ASP 80 HA ASP 80 -8.040 8.923 3.089 689 HB2 ASP 80 HB2 ASP 80 -8.769 7.232 1.356 690 HB3 ASP 80 HB3 ASP 80 -9.351 6.224 2.677 691 H ASP 81 H ASP 81 -7.893 5.774 4.746 692 HA ASP 81 HA ASP 81 -9.486 6.484 6.958 693 HB2 ASP 81 HB2 ASP 81 -7.314 4.463 6.540 694 HB3 ASP 81 HB3 ASP 81 -7.866 4.797 8.176 695 H ALA 82 H ALA 82 -5.995 6.753 6.414 696 HA ALA 82 HA ALA 82 -5.219 7.742 8.896 697 HB1 ALA 82 HB1 ALA 82 -3.642 7.005 7.187 698 HB2 ALA 82 HB2 ALA 82 -3.250 8.626 7.761 699 HB3 ALA 82 HB3 ALA 82 -4.044 8.411 6.201 700 H ILE 83 H ILE 83 -6.201 9.565 5.998 701 HA ILE 83 HA ILE 83 -5.874 12.110 7.234 702 HB ILE 83 HB ILE 83 -5.824 11.689 4.771 703 HG12 ILE 83 HG12 ILE 83 -7.789 13.789 5.701 704 HG13 ILE 83 HG13 ILE 83 -6.035 13.960 5.701 705 HG21 ILE 83 HG21 ILE 83 -7.946 11.657 3.538 706 HG22 ILE 83 HG22 ILE 83 -8.822 11.552 5.066 707 HG23 ILE 83 HG23 ILE 83 -7.758 10.235 4.566 708 HD11 ILE 83 HD11 ILE 83 -5.990 13.840 3.296 709 HD12 ILE 83 HD12 ILE 83 -7.121 15.093 3.809 710 HD13 ILE 83 HD13 ILE 83 -7.725 13.530 3.250 711 H HIS 84 H HIS 84 -8.519 9.853 6.949 712 HA HIS 84 HA HIS 84 -10.576 11.651 7.767 713 HB2 HIS 84 HB2 HIS 84 -10.894 9.514 6.460 714 HB3 HIS 84 HB3 HIS 84 -10.569 8.631 7.946 715 HD1 HIS 84 HD1 HIS 84 -12.748 7.686 8.630 716 HD2 HIS 84 HD2 HIS 84 -13.059 11.648 7.398 717 HE1 HIS 84 HE1 HIS 84 -15.148 8.340 9.043 718 HE2 HIS 84 HE2 HIS 84 -15.254 10.796 8.478 719 H GLU 85 H GLU 85 -8.213 9.731 9.393 720 HA GLU 85 HA GLU 85 -9.636 9.892 11.948 721 HB2 GLU 85 HB2 GLU 85 -7.066 8.504 11.174 722 HB3 GLU 85 HB3 GLU 85 -7.745 8.497 12.797 723 HG2 GLU 85 HG2 GLU 85 -9.046 7.370 10.325 724 HG3 GLU 85 HG3 GLU 85 -8.259 6.442 11.602 725 H GLY 86 H GLY 86 -7.761 11.938 10.268 726 HA2 GLY 86 HA2 GLY 86 -6.502 13.778 10.852 727 HA3 GLY 86 HA3 GLY 86 -7.000 13.501 12.518 728 H TYR 87 H TYR 87 -5.457 11.032 10.668 729 HA TYR 87 HA TYR 87 -3.327 10.801 12.588 730 HB2 TYR 87 HB2 TYR 87 -4.621 8.971 11.201 731 HB3 TYR 87 HB3 TYR 87 -3.418 9.332 9.971 732 HD1 TYR 87 HD1 TYR 87 -3.647 8.453 13.587 733 HD2 TYR 87 HD2 TYR 87 -1.462 8.103 9.957 734 HE1 TYR 87 HE1 TYR 87 -2.115 6.868 14.673 735 HE2 TYR 87 HE2 TYR 87 0.084 6.520 11.037 736 HH TYR 87 HH TYR 87 0.843 5.967 13.338 737 H VAL 88 H VAL 88 -3.514 11.353 9.094 738 HA VAL 88 HA VAL 88 -1.363 13.317 9.295 739 HB VAL 88 HB VAL 88 -0.347 12.528 7.179 740 HG11 VAL 88 HG11 VAL 88 0.674 11.895 9.295 741 HG12 VAL 88 HG12 VAL 88 0.866 10.616 8.096 742 HG13 VAL 88 HG13 VAL 88 -0.344 10.458 9.369 743 HG21 VAL 88 HG21 VAL 88 -2.234 11.324 6.248 744 HG22 VAL 88 HG22 VAL 88 -2.136 10.128 7.541 745 HG23 VAL 88 HG23 VAL 88 -0.831 10.261 6.362 746 H ILE 89 H ILE 89 -1.327 14.703 7.300 747 HA ILE 89 HA ILE 89 -3.966 14.758 6.018 748 HB ILE 89 HB ILE 89 -3.962 16.516 7.661 749 HG12 ILE 89 HG12 ILE 89 -3.562 17.675 4.896 750 HG13 ILE 89 HG13 ILE 89 -5.059 16.985 5.512 751 HG21 ILE 89 HG21 ILE 89 -1.588 16.817 7.981 752 HG22 ILE 89 HG22 ILE 89 -2.348 18.366 7.614 753 HG23 ILE 89 HG23 ILE 89 -1.434 17.518 6.370 754 HD11 ILE 89 HD11 ILE 89 -3.679 19.428 6.599 755 HD12 ILE 89 HD12 ILE 89 -5.199 18.747 7.180 756 HD13 ILE 89 HD13 ILE 89 -5.097 19.418 5.552 757 H LYS 90 H LYS 90 -2.686 13.460 4.479 758 HA LYS 90 HA LYS 90 -1.699 15.206 2.376 759 HB2 LYS 90 HB2 LYS 90 -0.072 12.995 3.609 760 HB3 LYS 90 HB3 LYS 90 0.186 13.505 1.946 761 HG2 LYS 90 HG2 LYS 90 0.482 15.845 2.879 762 HG3 LYS 90 HG3 LYS 90 0.589 15.076 4.463 763 HD2 LYS 90 HD2 LYS 90 2.529 13.868 3.842 764 HD3 LYS 90 HD3 LYS 90 2.324 14.280 2.137 765 HE2 LYS 90 HE2 LYS 90 2.969 16.194 4.376 766 HE3 LYS 90 HE3 LYS 90 4.085 15.630 3.133 767 HZ1 LYS 90 HZ1 LYS 90 2.806 16.744 1.461 768 HZ2 LYS 90 HZ2 LYS 90 3.140 17.858 2.692 769 HZ3 LYS 90 HZ3 LYS 90 1.601 17.168 2.575 770 H ASN 91 H ASN 91 -2.008 14.416 0.337 771 HA ASN 91 HA ASN 91 -3.054 11.678 0.112 772 HB2 ASN 91 HB2 ASN 91 -3.985 14.193 -1.227 773 HB3 ASN 91 HB3 ASN 91 -4.159 12.652 -2.061 774 HD21 ASN 91 HD21 ASN 91 -4.606 11.120 0.348 775 HD22 ASN 91 HD22 ASN 91 -6.198 11.508 0.890 776 HA PRO 92 HA PRO 92 0.817 11.844 -2.326 777 HB2 PRO 92 HB2 PRO 92 1.646 9.370 -1.658 778 HB3 PRO 92 HB3 PRO 92 1.888 10.760 -0.593 779 HG2 PRO 92 HG2 PRO 92 -0.204 8.624 -0.472 780 HG3 PRO 92 HG3 PRO 92 0.742 9.341 0.844 781 HD2 PRO 92 HD2 PRO 92 -1.818 10.078 0.273 782 HD3 PRO 92 HD3 PRO 92 -0.627 11.176 0.999 783 H THR 93 H THR 93 -2.076 10.295 -2.488 784 HA THR 93 HA THR 93 -1.436 8.304 -4.471 785 HB THR 93 HB THR 93 -4.000 8.065 -4.435 786 HG1 THR 93 HG1 THR 93 -5.058 9.124 -2.794 787 HG21 THR 93 HG21 THR 93 -3.915 6.821 -2.324 788 HG22 THR 93 HG22 THR 93 -2.414 7.643 -1.894 789 HG23 THR 93 HG23 THR 93 -2.455 6.547 -3.275 790 H TYR 94 H TYR 94 -1.550 11.485 -4.675 791 HA TYR 94 HA TYR 94 -3.093 11.776 -7.110 792 HB2 TYR 94 HB2 TYR 94 -2.919 13.594 -5.378 793 HB3 TYR 94 HB3 TYR 94 -1.210 13.742 -5.772 794 HD1 TYR 94 HD2 TYR 94 -4.634 14.123 -7.165 795 HD2 TYR 94 HD1 TYR 94 -0.506 15.059 -7.592 796 HE1 TYR 94 HE2 TYR 94 -5.186 15.736 -8.939 797 HE2 TYR 94 HE1 TYR 94 -1.044 16.672 -9.364 798 HH TYR 94 HH TYR 94 -4.201 17.761 -9.944 799 H LYS 95 H LYS 95 -2.027 12.570 -9.107 800 HA LYS 95 HA LYS 95 -0.520 12.387 -10.800 801 HB2 LYS 95 HB2 LYS 95 1.520 11.990 -8.593 802 HB3 LYS 95 HB3 LYS 95 1.911 12.177 -10.295 803 HG2 LYS 95 HG2 LYS 95 0.630 14.229 -8.504 804 HG3 LYS 95 HG3 LYS 95 2.274 14.246 -9.137 805 HD2 LYS 95 HD2 LYS 95 -0.216 14.338 -10.834 806 HD3 LYS 95 HD3 LYS 95 0.735 15.748 -10.368 807 HE2 LYS 95 HE2 LYS 95 2.676 14.816 -11.511 808 HE3 LYS 95 HE3 LYS 95 1.733 13.398 -11.971 809 HZ1 LYS 95 HZ1 LYS 95 1.249 16.200 -12.816 810 HZ2 LYS 95 HZ2 LYS 95 0.234 14.896 -13.191 811 HZ3 LYS 95 HZ3 LYS 95 1.818 14.937 -13.795 812 H ALA 96 H ALA 96 -1.860 10.110 -9.372 813 HA ALA 96 HA ALA 96 -0.290 7.812 -9.367 814 HB1 ALA 96 HB1 ALA 96 -3.234 8.050 -9.923 815 HB2 ALA 96 HB2 ALA 96 -2.488 7.922 -8.328 816 HB3 ALA 96 HB3 ALA 96 -2.381 6.577 -9.465 817 H GLU 97 H GLU 97 0.446 6.519 -10.892 818 HA GLU 97 HA GLU 97 -0.727 6.616 -13.554 819 HB2 GLU 97 HB2 GLU 97 1.484 8.096 -13.013 820 HB3 GLU 97 HB3 GLU 97 2.221 6.576 -13.492 821 HG2 GLU 97 HG2 GLU 97 0.096 7.769 -15.191 822 HG3 GLU 97 HG3 GLU 97 1.721 8.431 -15.232 823 H LEU 98 H LEU 98 -1.378 4.583 -13.718 824 HA LEU 98 HA LEU 98 0.116 2.408 -12.567 825 HB2 LEU 98 HB2 LEU 98 -2.290 2.315 -14.392 826 HB3 LEU 98 HB3 LEU 98 -1.656 0.986 -13.440 827 HG LEU 98 HG LEU 98 -2.911 3.507 -12.346 828 HD11 LEU 98 HD11 LEU 98 -4.663 1.982 -11.564 829 HD12 LEU 98 HD12 LEU 98 -3.867 0.652 -12.403 830 HD13 LEU 98 HD13 LEU 98 -4.538 2.000 -13.321 831 HD21 LEU 98 HD21 LEU 98 -1.853 1.085 -10.898 832 HD22 LEU 98 HD22 LEU 98 -2.712 2.437 -10.164 833 HD23 LEU 98 HD23 LEU 98 -1.126 2.692 -10.893 834 H HIS 99 H HIS 99 2.042 2.970 -13.752 835 HA HIS 99 HA HIS 99 2.099 2.733 -16.613 836 HB2 HIS 99 HB2 HIS 99 3.538 4.249 -15.075 837 HB3 HIS 99 HB3 HIS 99 4.517 2.809 -14.823 838 HD1 HIS 99 HD1 HIS 99 3.794 5.494 -17.249 839 HD2 HIS 99 HD2 HIS 99 5.937 1.927 -17.136 840 HE1 HIS 99 HE1 HIS 99 5.304 5.537 -19.269 841 HE2 HIS 99 HE2 HIS 99 6.676 3.421 -19.111 842 H ALA 100 H ALA 100 1.102 0.461 -16.164 843 HA ALA 100 HA ALA 100 3.084 -1.572 -15.569 844 HB1 ALA 100 HB1 ALA 100 0.804 -1.843 -14.721 845 HB2 ALA 100 HB2 ALA 100 1.246 -3.158 -15.810 846 HB3 ALA 100 HB3 ALA 100 0.191 -1.862 -16.374 847 H SER 101 H SER 101 4.537 -1.306 -17.281 848 HA SER 101 HA SER 101 3.640 -1.680 -19.994 849 HB2 SER 101 HB2 SER 101 5.661 -0.302 -19.391 850 HB3 SER 101 HB3 SER 101 6.479 -1.798 -18.946 851 HG SER 101 HG SER 101 5.295 -1.686 -21.482 852 H VAL 102 H VAL 102 2.489 -3.630 -19.234 853 HA VAL 102 HA VAL 102 4.094 -6.011 -19.765 854 HB VAL 102 HB VAL 102 2.245 -5.707 -17.383 855 HG11 VAL 102 HG11 VAL 102 1.841 -7.858 -18.439 856 HG12 VAL 102 HG12 VAL 102 2.698 -8.074 -16.913 857 HG13 VAL 102 HG13 VAL 102 3.571 -8.202 -18.439 858 HG21 VAL 102 HG21 VAL 102 4.493 -4.875 -16.979 859 HG22 VAL 102 HG22 VAL 102 5.177 -6.400 -17.544 860 HG23 VAL 102 HG23 VAL 102 4.209 -6.358 -16.070 861 H LEU 103 H LEU 103 0.980 -4.398 -19.549 862 HA LEU 103 HA LEU 103 -0.174 -6.486 -21.267 863 HB2 LEU 103 HB2 LEU 103 -1.502 -5.042 -18.976 864 HB3 LEU 103 HB3 LEU 103 -2.350 -6.063 -20.122 865 HG LEU 103 HG LEU 103 -0.192 -6.978 -18.220 866 HD11 LEU 103 HD11 LEU 103 -2.252 -6.402 -17.072 867 HD12 LEU 103 HD12 LEU 103 -2.019 -8.150 -17.089 868 HD13 LEU 103 HD13 LEU 103 -3.175 -7.403 -18.193 869 HD21 LEU 103 HD21 LEU 103 -1.921 -8.533 -20.144 870 HD22 LEU 103 HD22 LEU 103 -0.834 -9.235 -18.947 871 HD23 LEU 103 HD23 LEU 103 -0.182 -8.276 -20.275 872 H GLU 104 H GLU 104 1.018 -4.007 -22.182 873 HA GLU 104 HA GLU 104 -0.940 -2.124 -22.895 874 HB2 GLU 104 HB2 GLU 104 1.470 -3.042 -24.486 875 HB3 GLU 104 HB3 GLU 104 0.501 -1.626 -24.866 876 HG2 GLU 104 HG2 GLU 104 2.154 -0.605 -23.716 877 HG3 GLU 104 HG3 GLU 104 1.111 -1.012 -22.357 878 H HIS 105 H HIS 105 -2.793 -2.468 -23.940 879 HA HIS 105 HA HIS 105 -2.905 -4.676 -25.868 880 HB2 HIS 105 HB2 HIS 105 -5.051 -5.415 -24.921 881 HB3 HIS 105 HB3 HIS 105 -3.756 -5.518 -23.739 882 HD1 HIS 105 HD1 HIS 105 -7.138 -4.730 -23.806 883 HD2 HIS 105 HD2 HIS 105 -3.826 -2.812 -22.177 884 HE1 HIS 105 HE1 HIS 105 -8.047 -3.170 -22.055 885 HE2 HIS 105 HE2 HIS 105 -6.047 -1.876 -21.227 886 H HIS 106 H HIS 106 -3.577 -4.012 -27.745 887 HA HIS 106 HA HIS 106 -5.433 -1.736 -27.914 888 HB2 HIS 106 HB2 HIS 106 -3.720 -3.078 -30.020 889 HB3 HIS 106 HB3 HIS 106 -4.855 -1.774 -30.351 890 HD1 HIS 106 HD1 HIS 106 -3.965 0.537 -30.156 891 HD2 HIS 106 HD2 HIS 106 -1.553 -2.248 -28.226 892 HE1 HIS 106 HE1 HIS 106 -1.934 1.814 -29.385 893 HE2 HIS 106 HE2 HIS 106 -0.482 0.106 -28.216 894 H HIS 107 H HIS 107 -7.462 -1.964 -28.786 895 HA HIS 107 HA HIS 107 -8.304 -4.450 -29.965 896 HB2 HIS 107 HB2 HIS 107 -9.902 -5.089 -28.234 897 HB3 HIS 107 HB3 HIS 107 -8.272 -5.080 -27.584 898 HD1 HIS 107 HD1 HIS 107 -11.219 -4.633 -26.165 899 HD2 HIS 107 HD2 HIS 107 -8.130 -1.900 -26.711 900 HE1 HIS 107 HE1 HIS 107 -11.568 -2.851 -24.424 901 HE2 HIS 107 HE2 HIS 107 -9.803 -1.111 -24.900 902 H HIS 108 H HIS 108 -10.463 -4.393 -30.758 903 HA HIS 108 HA HIS 108 -11.818 -1.787 -30.578 904 HB2 HIS 108 HB2 HIS 108 -11.186 -3.305 -33.116 905 HB3 HIS 108 HB3 HIS 108 -12.399 -2.031 -33.033 906 HD1 HIS 108 HD1 HIS 108 -8.975 -2.536 -33.884 907 HD2 HIS 108 HD2 HIS 108 -11.117 0.496 -31.996 908 HE1 HIS 108 HE1 HIS 108 -7.537 -0.478 -34.055 909 HE2 HIS 108 HE2 HIS 108 -8.901 1.373 -33.008 910 H HIS 109 H HIS 109 -13.945 -1.933 -30.241 911 HA HIS 109 HA HIS 109 -15.305 -4.468 -30.905 912 HB2 HIS 109 HB2 HIS 109 -15.407 -2.891 -28.360 913 HB3 HIS 109 HB3 HIS 109 -16.830 -3.780 -28.880 914 HD1 HIS 109 HD1 HIS 109 -15.602 -4.570 -26.283 915 HD2 HIS 109 HD2 HIS 109 -14.425 -6.240 -29.904 916 HE1 HIS 109 HE1 HIS 109 -14.594 -6.798 -25.702 917 HE2 HIS 109 HE2 HIS 109 -13.756 -7.731 -27.888 918 H HIS 110 H HIS 110 -16.922 -4.168 -32.277 919 HA HIS 110 HA HIS 110 -18.387 -1.618 -32.168 920 HB2 HIS 110 HB2 HIS 110 -17.074 -1.845 -34.275 921 HB3 HIS 110 HB3 HIS 110 -17.961 -3.326 -34.632 922 HD1 HIS 110 HD1 HIS 110 -20.150 -3.070 -35.839 923 HD2 HIS 110 HD2 HIS 110 -18.805 0.503 -34.190 924 HE1 HIS 110 HE1 HIS 110 -21.746 -1.307 -36.646 925 HE2 HIS 110 HE2 HIS 110 -21.051 0.786 -35.430
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