NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598311 | 5gaj | 30000 | 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 1H MET 1 0.336 15.717 -2.164 2 H2 MET 1 2H MET 1 1.553 16.666 -2.849 3 H3 MET 1 3H MET 1 0.210 17.402 -2.142 4 HA MET 1 HA MET 1 2.140 17.566 -0.723 5 HB2 MET 1 2HB MET 1 0.019 15.660 0.371 6 HB3 MET 1 3HB MET 1 1.127 16.614 1.353 7 HG2 MET 1 2HG MET 1 -1.039 17.675 1.344 8 HG3 MET 1 3HG MET 1 0.087 18.687 0.438 9 HE1 MET 1 1HE MET 1 -3.154 18.942 0.296 10 HE2 MET 1 2HE MET 1 -3.368 19.197 -1.436 11 HE3 MET 1 3HE MET 1 -2.055 20.008 -0.585 12 H GLY 2 H GLY 2 1.094 14.197 -1.151 13 HA2 GLY 2 2HA GLY 2 2.944 12.589 -1.783 14 HA3 GLY 2 3HA GLY 2 3.759 13.187 -0.338 15 H THR 3 H THR 3 1.958 10.665 -1.420 16 HA THR 3 HA THR 3 0.955 9.938 1.254 17 HB THR 3 HB THR 3 -0.805 10.018 -1.258 18 HG1 THR 3 HG1 THR 3 -0.417 11.794 0.805 19 HG21 THR 3 1HG2 THR 3 -1.514 9.126 1.554 20 HG22 THR 3 2HG2 THR 3 -1.358 8.070 0.147 21 HG23 THR 3 3HG2 THR 3 -2.638 9.283 0.204 22 H VAL 4 H VAL 4 1.269 7.741 1.616 23 HA VAL 4 HA VAL 4 2.171 6.074 -0.682 24 HB VAL 4 HB VAL 4 2.972 5.756 2.258 25 HG11 VAL 4 1HG1 VAL 4 4.687 4.193 1.405 26 HG12 VAL 4 2HG1 VAL 4 4.063 4.390 -0.235 27 HG13 VAL 4 3HG1 VAL 4 3.060 3.635 1.005 28 HG21 VAL 4 1HG2 VAL 4 5.184 6.644 1.602 29 HG22 VAL 4 2HG2 VAL 4 3.912 7.840 1.346 30 HG23 VAL 4 3HG2 VAL 4 4.580 6.957 -0.028 31 H VAL 5 H VAL 5 1.010 4.302 -1.123 32 HA VAL 5 HA VAL 5 -0.955 3.245 0.822 33 HB VAL 5 HB VAL 5 -1.067 3.090 -2.241 34 HG11 VAL 5 1HG1 VAL 5 -3.338 2.154 -1.947 35 HG12 VAL 5 2HG1 VAL 5 -3.121 2.156 -0.196 36 HG13 VAL 5 3HG1 VAL 5 -2.114 1.117 -1.208 37 HG21 VAL 5 1HG2 VAL 5 -2.976 4.653 -2.107 38 HG22 VAL 5 2HG2 VAL 5 -1.509 5.385 -1.453 39 HG23 VAL 5 3HG2 VAL 5 -2.758 4.786 -0.358 40 H ILE 6 H ILE 6 -0.154 1.406 1.712 41 HA ILE 6 HA ILE 6 1.896 -0.173 0.318 42 HB ILE 6 HB ILE 6 0.871 -0.385 3.194 43 HG12 ILE 6 2HG1 ILE 6 2.069 1.754 2.804 44 HG13 ILE 6 3HG1 ILE 6 2.991 0.698 3.865 45 HG21 ILE 6 1HG2 ILE 6 3.246 -1.756 1.866 46 HG22 ILE 6 2HG2 ILE 6 1.772 -2.532 2.453 47 HG23 ILE 6 3HG2 ILE 6 2.889 -1.788 3.597 48 HD11 ILE 6 1HD1 ILE 6 3.523 1.169 0.935 49 HD12 ILE 6 2HD1 ILE 6 4.455 0.100 1.991 50 HD13 ILE 6 3HD1 ILE 6 4.421 1.835 2.295 51 H VAL 7 H VAL 7 1.103 -1.707 -0.981 52 HA VAL 7 HA VAL 7 -1.304 -3.254 -0.228 53 HB VAL 7 HB VAL 7 0.067 -2.896 -2.938 54 HG11 VAL 7 1HG1 VAL 7 -0.794 -5.181 -2.776 55 HG12 VAL 7 2HG1 VAL 7 -1.774 -4.235 -3.897 56 HG13 VAL 7 3HG1 VAL 7 -2.373 -4.573 -2.271 57 HG21 VAL 7 1HG2 VAL 7 -1.248 -0.933 -2.229 58 HG22 VAL 7 2HG2 VAL 7 -2.662 -1.958 -1.968 59 HG23 VAL 7 3HG2 VAL 7 -2.017 -1.743 -3.597 60 H VAL 8 H VAL 8 -0.793 -5.004 0.836 61 HA VAL 8 HA VAL 8 1.580 -6.632 0.196 62 HB VAL 8 HB VAL 8 -0.097 -6.506 2.749 63 HG11 VAL 8 1HG1 VAL 8 2.368 -8.195 2.184 64 HG12 VAL 8 2HG1 VAL 8 0.725 -8.786 2.437 65 HG13 VAL 8 3HG1 VAL 8 1.597 -8.013 3.762 66 HG21 VAL 8 1HG2 VAL 8 1.314 -4.514 2.469 67 HG22 VAL 8 2HG2 VAL 8 2.741 -5.533 2.263 68 HG23 VAL 8 3HG2 VAL 8 1.890 -5.508 3.809 69 H SER 9 H SER 9 0.921 -8.116 -1.248 70 HA SER 9 HA SER 9 -1.172 -10.027 -0.395 71 HB2 SER 9 2HB SER 9 -2.175 -8.808 -2.275 72 HB3 SER 9 3HB SER 9 -0.709 -9.002 -3.239 73 HG SER 9 HG SER 9 -1.609 -10.775 -3.909 74 H ARG 10 H ARG 10 -0.615 -12.182 -0.798 75 HA ARG 10 HA ARG 10 2.265 -12.644 -1.398 76 HB2 ARG 10 2HB ARG 10 0.301 -14.466 0.050 77 HB3 ARG 10 3HB ARG 10 2.051 -14.657 -0.042 78 HG2 ARG 10 2HG ARG 10 2.445 -12.803 1.419 79 HG3 ARG 10 3HG ARG 10 0.798 -12.205 1.229 80 HD2 ARG 10 2HD ARG 10 1.011 -13.165 3.424 81 HD3 ARG 10 3HD ARG 10 -0.034 -14.207 2.459 82 HE ARG 10 HE ARG 10 2.759 -14.786 3.246 83 HH11 ARG 10 1HH1 ARG 10 -0.344 -15.942 2.095 84 HH12 ARG 10 2HH1 ARG 10 0.069 -17.615 2.272 85 HH21 ARG 10 1HH2 ARG 10 3.284 -16.978 3.507 86 HH22 ARG 10 2HH2 ARG 10 2.130 -18.192 3.072 87 H ASP 11 H ASP 11 -0.746 -12.814 -2.812 88 HA ASP 11 HA ASP 11 -0.044 -15.001 -4.686 89 HB2 ASP 11 2HB ASP 11 -2.271 -15.185 -3.641 90 HB3 ASP 11 3HB ASP 11 -2.695 -13.561 -4.162 91 H GLU 12 H GLU 12 0.576 -14.501 -6.715 92 HA GLU 12 HA GLU 12 1.413 -12.028 -7.625 93 HB2 GLU 12 2HB GLU 12 0.637 -14.568 -9.112 94 HB3 GLU 12 3HB GLU 12 1.231 -13.166 -9.985 95 HG2 GLU 12 2HG GLU 12 2.787 -14.516 -7.774 96 HG3 GLU 12 3HG GLU 12 2.929 -14.962 -9.475 97 H ARG 13 H ARG 13 -1.620 -13.690 -8.374 98 HA ARG 13 HA ARG 13 -2.383 -11.965 -10.486 99 HB2 ARG 13 2HB ARG 13 -4.152 -13.886 -8.917 100 HB3 ARG 13 3HB ARG 13 -4.451 -13.264 -10.539 101 HG2 ARG 13 2HG ARG 13 -2.170 -15.101 -9.729 102 HG3 ARG 13 3HG ARG 13 -3.620 -15.583 -10.609 103 HD2 ARG 13 2HD ARG 13 -2.933 -14.512 -12.587 104 HD3 ARG 13 3HD ARG 13 -1.828 -13.425 -11.745 105 HE ARG 13 HE ARG 13 -1.305 -16.327 -12.051 106 HH11 ARG 13 1HH1 ARG 13 -0.178 -12.993 -12.265 107 HH12 ARG 13 2HH1 ARG 13 1.448 -13.441 -12.660 108 HH21 ARG 13 1HH2 ARG 13 0.831 -16.891 -12.571 109 HH22 ARG 13 2HH2 ARG 13 2.020 -15.654 -12.835 110 H ILE 14 H ILE 14 -2.906 -11.797 -7.032 111 HA ILE 14 HA ILE 14 -5.047 -9.901 -7.074 112 HB ILE 14 HB ILE 14 -3.001 -10.461 -4.880 113 HG12 ILE 14 2HG1 ILE 14 -5.846 -11.520 -5.235 114 HG13 ILE 14 3HG1 ILE 14 -4.372 -12.451 -5.456 115 HG21 ILE 14 1HG2 ILE 14 -4.021 -8.246 -4.551 116 HG22 ILE 14 2HG2 ILE 14 -4.590 -9.376 -3.323 117 HG23 ILE 14 3HG2 ILE 14 -5.634 -8.951 -4.680 118 HD11 ILE 14 1HD1 ILE 14 -5.431 -12.981 -3.351 119 HD12 ILE 14 2HD1 ILE 14 -5.362 -11.294 -2.846 120 HD13 ILE 14 3HD1 ILE 14 -3.870 -12.215 -3.066 121 H LEU 15 H LEU 15 -1.433 -9.541 -6.847 122 HA LEU 15 HA LEU 15 -1.319 -6.777 -6.376 123 HB2 LEU 15 2HB LEU 15 0.681 -8.544 -7.837 124 HB3 LEU 15 3HB LEU 15 0.977 -6.842 -7.567 125 HG LEU 15 HG LEU 15 2.230 -7.853 -5.896 126 HD11 LEU 15 1HD1 LEU 15 1.251 -7.331 -3.744 127 HD12 LEU 15 2HD1 LEU 15 -0.360 -7.249 -4.460 128 HD13 LEU 15 3HD1 LEU 15 0.878 -6.080 -4.928 129 HD21 LEU 15 1HD2 LEU 15 -0.004 -9.794 -5.283 130 HD22 LEU 15 2HD2 LEU 15 1.572 -9.729 -4.484 131 HD23 LEU 15 3HD2 LEU 15 1.467 -10.139 -6.195 132 H GLU 16 H GLU 16 -1.486 -8.492 -9.493 133 HA GLU 16 HA GLU 16 -1.034 -6.172 -11.126 134 HB2 GLU 16 2HB GLU 16 -1.447 -7.652 -13.033 135 HB3 GLU 16 3HB GLU 16 -0.377 -8.427 -11.869 136 HG2 GLU 16 2HG GLU 16 -2.335 -9.728 -11.000 137 HG3 GLU 16 3HG GLU 16 -3.326 -9.014 -12.271 138 H GLU 17 H GLU 17 -3.933 -7.918 -10.043 139 HA GLU 17 HA GLU 17 -5.824 -6.480 -11.600 140 HB2 GLU 17 2HB GLU 17 -6.137 -7.922 -8.936 141 HB3 GLU 17 3HB GLU 17 -7.485 -7.226 -9.828 142 HG2 GLU 17 2HG GLU 17 -5.676 -9.451 -10.786 143 HG3 GLU 17 3HG GLU 17 -7.328 -9.631 -10.205 144 H LEU 18 H LEU 18 -4.397 -5.915 -8.409 145 HA LEU 18 HA LEU 18 -5.969 -3.626 -7.745 146 HB2 LEU 18 2HB LEU 18 -3.305 -4.592 -6.623 147 HB3 LEU 18 3HB LEU 18 -4.278 -3.308 -5.920 148 HG LEU 18 HG LEU 18 -4.979 -6.262 -6.081 149 HD11 LEU 18 1HD1 LEU 18 -3.486 -5.701 -4.243 150 HD12 LEU 18 2HD1 LEU 18 -5.077 -6.148 -3.634 151 HD13 LEU 18 3HD1 LEU 18 -4.598 -4.448 -3.686 152 HD21 LEU 18 1HD2 LEU 18 -6.767 -4.013 -5.139 153 HD22 LEU 18 2HD2 LEU 18 -7.107 -5.740 -5.016 154 HD23 LEU 18 3HD2 LEU 18 -6.987 -4.984 -6.598 155 H LEU 19 H LEU 19 -2.892 -4.104 -9.408 156 HA LEU 19 HA LEU 19 -2.094 -1.394 -9.621 157 HB2 LEU 19 2HB LEU 19 -0.535 -3.210 -10.110 158 HB3 LEU 19 3HB LEU 19 -1.554 -3.785 -11.420 159 HG LEU 19 HG LEU 19 -1.064 -1.713 -12.719 160 HD11 LEU 19 1HD1 LEU 19 0.687 -0.159 -11.998 161 HD12 LEU 19 2HD1 LEU 19 0.785 -0.979 -10.437 162 HD13 LEU 19 3HD1 LEU 19 -0.696 -0.141 -10.907 163 HD21 LEU 19 1HD2 LEU 19 1.429 -3.169 -11.801 164 HD22 LEU 19 2HD2 LEU 19 1.267 -2.203 -13.271 165 HD23 LEU 19 3HD2 LEU 19 0.328 -3.681 -13.084 166 H GLU 20 H GLU 20 -4.040 -3.510 -11.696 167 HA GLU 20 HA GLU 20 -4.686 -1.750 -13.747 168 HB2 GLU 20 2HB GLU 20 -6.005 -4.204 -12.577 169 HB3 GLU 20 3HB GLU 20 -6.898 -3.265 -13.767 170 HG2 GLU 20 2HG GLU 20 -4.150 -4.467 -14.210 171 HG3 GLU 20 3HG GLU 20 -5.671 -5.169 -14.758 172 H VAL 21 H VAL 21 -6.204 -2.164 -10.564 173 HA VAL 21 HA VAL 21 -8.393 -0.437 -10.990 174 HB VAL 21 HB VAL 21 -7.005 -1.122 -8.362 175 HG11 VAL 21 1HG1 VAL 21 -9.134 -0.452 -7.275 176 HG12 VAL 21 2HG1 VAL 21 -9.755 0.098 -8.834 177 HG13 VAL 21 3HG1 VAL 21 -8.367 0.906 -8.103 178 HG21 VAL 21 1HG2 VAL 21 -7.863 -3.109 -9.538 179 HG22 VAL 21 2HG2 VAL 21 -9.456 -2.368 -9.665 180 HG23 VAL 21 3HG2 VAL 21 -8.800 -2.791 -8.081 181 H VAL 22 H VAL 22 -5.078 0.228 -9.696 182 HA VAL 22 HA VAL 22 -5.502 2.956 -9.075 183 HB VAL 22 HB VAL 22 -2.822 1.866 -10.071 184 HG11 VAL 22 1HG1 VAL 22 -1.862 3.666 -8.647 185 HG12 VAL 22 2HG1 VAL 22 -3.486 4.207 -8.228 186 HG13 VAL 22 3HG1 VAL 22 -2.923 4.322 -9.897 187 HG21 VAL 22 1HG2 VAL 22 -2.239 1.359 -7.737 188 HG22 VAL 22 2HG2 VAL 22 -3.626 0.406 -8.266 189 HG23 VAL 22 3HG2 VAL 22 -3.871 1.806 -7.222 190 H LEU 23 H LEU 23 -4.443 1.369 -12.078 191 HA LEU 23 HA LEU 23 -3.786 3.703 -13.541 192 HB2 LEU 23 2HB LEU 23 -4.586 0.935 -14.531 193 HB3 LEU 23 3HB LEU 23 -3.874 2.184 -15.543 194 HG LEU 23 HG LEU 23 -2.501 0.842 -13.173 195 HD11 LEU 23 1HD1 LEU 23 -2.745 -0.697 -15.056 196 HD12 LEU 23 2HD1 LEU 23 -1.058 -0.252 -14.814 197 HD13 LEU 23 3HD1 LEU 23 -1.978 0.471 -16.138 198 HD21 LEU 23 1HD2 LEU 23 -0.463 2.021 -13.899 199 HD22 LEU 23 2HD2 LEU 23 -1.730 3.144 -13.415 200 HD23 LEU 23 3HD2 LEU 23 -1.390 2.884 -15.129 201 H LYS 24 H LYS 24 -6.786 1.810 -13.287 202 HA LYS 24 HA LYS 24 -8.261 3.314 -15.249 203 HB2 LYS 24 2HB LYS 24 -9.222 1.364 -13.105 204 HB3 LYS 24 3HB LYS 24 -10.243 2.034 -14.370 205 HG2 LYS 24 2HG LYS 24 -7.850 0.214 -14.804 206 HG3 LYS 24 3HG LYS 24 -9.547 -0.265 -14.890 207 HD2 LYS 24 2HD LYS 24 -9.863 1.287 -16.810 208 HD3 LYS 24 3HD LYS 24 -8.150 1.712 -16.734 209 HE2 LYS 24 2HE LYS 24 -9.258 -1.066 -17.302 210 HE3 LYS 24 3HE LYS 24 -8.587 0.043 -18.499 211 HZ1 LYS 24 1HZ LYS 24 -6.955 -1.602 -17.845 212 HZ2 LYS 24 2HZ LYS 24 -7.097 -1.164 -16.223 213 HZ3 LYS 24 3HZ LYS 24 -6.453 -0.068 -17.336 214 H SER 25 H SER 25 -7.753 3.586 -11.772 215 HA SER 25 HA SER 25 -9.833 5.497 -11.219 216 HB2 SER 25 2HB SER 25 -7.277 4.844 -9.664 217 HB3 SER 25 3HB SER 25 -8.608 5.836 -9.060 218 HG SER 25 HG SER 25 -8.353 3.190 -8.996 219 H ASP 26 H ASP 26 -6.280 5.816 -11.382 220 HA ASP 26 HA ASP 26 -6.352 8.209 -12.952 221 HB2 ASP 26 2HB ASP 26 -6.811 9.133 -10.683 222 HB3 ASP 26 3HB ASP 26 -5.342 8.378 -10.071 223 HA PRO 27 HA PRO 27 -2.463 6.066 -13.961 224 HB2 PRO 27 2HB PRO 27 -1.784 7.488 -16.178 225 HB3 PRO 27 3HB PRO 27 -3.186 6.395 -16.174 226 HG2 PRO 27 2HG PRO 27 -3.152 9.384 -15.784 227 HG3 PRO 27 3HG PRO 27 -4.174 8.414 -16.873 228 HD2 PRO 27 2HD PRO 27 -5.064 9.255 -14.443 229 HD3 PRO 27 3HD PRO 27 -5.579 7.705 -15.147 230 H ASN 28 H ASN 28 -2.760 9.387 -12.998 231 HA ASN 28 HA ASN 28 0.026 10.124 -13.336 232 HB2 ASN 28 2HB ASN 28 -2.117 11.652 -11.792 233 HB3 ASN 28 3HB ASN 28 -0.589 12.288 -12.395 234 HD21 ASN 28 1HD2 ASN 28 -3.809 11.326 -13.230 235 HD22 ASN 28 2HD2 ASN 28 -3.820 11.969 -14.833 236 H VAL 29 H VAL 29 -1.949 8.774 -10.810 237 HA VAL 29 HA VAL 29 -0.262 9.111 -8.578 238 HB VAL 29 HB VAL 29 -2.061 6.731 -9.263 239 HG11 VAL 29 1HG1 VAL 29 -0.899 7.526 -6.564 240 HG12 VAL 29 2HG1 VAL 29 -0.447 6.108 -7.512 241 HG13 VAL 29 3HG1 VAL 29 -2.071 6.233 -6.835 242 HG21 VAL 29 1HG2 VAL 29 -2.674 9.200 -7.594 243 HG22 VAL 29 2HG2 VAL 29 -3.755 7.826 -7.831 244 HG23 VAL 29 3HG2 VAL 29 -3.316 8.848 -9.199 245 H LYS 30 H LYS 30 1.748 8.363 -8.226 246 HA LYS 30 HA LYS 30 3.210 6.772 -10.066 247 HB2 LYS 30 2HB LYS 30 4.341 8.407 -8.658 248 HB3 LYS 30 3HB LYS 30 3.798 7.611 -7.188 249 HG2 LYS 30 2HG LYS 30 6.206 7.222 -7.664 250 HG3 LYS 30 3HG LYS 30 5.282 5.716 -7.611 251 HD2 LYS 30 2HD LYS 30 5.179 5.763 -10.129 252 HD3 LYS 30 3HD LYS 30 6.224 7.186 -10.108 253 HE2 LYS 30 2HE LYS 30 8.064 5.917 -9.228 254 HE3 LYS 30 3HE LYS 30 7.018 4.541 -8.870 255 HZ1 LYS 30 1HZ LYS 30 6.666 4.220 -11.232 256 HZ2 LYS 30 2HZ LYS 30 8.310 4.153 -10.859 257 HZ3 LYS 30 3HZ LYS 30 7.670 5.534 -11.594 258 H THR 31 H THR 31 3.452 4.580 -10.205 259 HA THR 31 HA THR 31 2.544 2.878 -7.944 260 HB THR 31 HB THR 31 1.985 1.155 -9.788 261 HG1 THR 31 HG1 THR 31 1.669 3.391 -11.481 262 HG21 THR 31 1HG2 THR 31 0.212 2.313 -8.514 263 HG22 THR 31 2HG2 THR 31 -0.259 2.064 -10.195 264 HG23 THR 31 3HG2 THR 31 0.270 3.659 -9.664 265 H VAL 32 H VAL 32 3.799 1.238 -7.365 266 HA VAL 32 HA VAL 32 6.408 0.764 -8.673 267 HB VAL 32 HB VAL 32 5.899 1.441 -5.724 268 HG11 VAL 32 1HG1 VAL 32 8.502 0.466 -6.920 269 HG12 VAL 32 2HG1 VAL 32 7.474 -0.431 -5.801 270 HG13 VAL 32 3HG1 VAL 32 8.273 1.050 -5.270 271 HG21 VAL 32 1HG2 VAL 32 7.660 2.836 -7.755 272 HG22 VAL 32 2HG2 VAL 32 7.473 3.289 -6.059 273 HG23 VAL 32 3HG2 VAL 32 6.101 3.418 -7.162 274 H ARG 33 H ARG 33 6.724 -1.430 -8.895 275 HA ARG 33 HA ARG 33 5.880 -3.126 -6.612 276 HB2 ARG 33 2HB ARG 33 4.473 -3.824 -8.512 277 HB3 ARG 33 3HB ARG 33 5.895 -3.998 -9.541 278 HG2 ARG 33 2HG ARG 33 6.755 -5.793 -8.039 279 HG3 ARG 33 3HG ARG 33 5.312 -5.639 -7.043 280 HD2 ARG 33 2HD ARG 33 3.918 -6.575 -8.735 281 HD3 ARG 33 3HD ARG 33 5.166 -6.397 -9.982 282 HE ARG 33 HE ARG 33 6.421 -7.986 -8.253 283 HH11 ARG 33 1HH1 ARG 33 3.152 -8.330 -9.521 284 HH12 ARG 33 2HH1 ARG 33 3.160 -10.061 -9.390 285 HH21 ARG 33 1HH2 ARG 33 6.425 -10.221 -8.099 286 HH22 ARG 33 2HH2 ARG 33 5.022 -11.124 -8.581 287 H THR 34 H THR 34 7.935 -2.561 -5.741 288 HA THR 34 HA THR 34 9.883 -4.626 -6.586 289 HB THR 34 HB THR 34 11.053 -2.511 -6.775 290 HG1 THR 34 HG1 THR 34 12.565 -3.730 -5.935 291 HG21 THR 34 1HG2 THR 34 9.632 -1.084 -5.354 292 HG22 THR 34 2HG2 THR 34 11.332 -0.927 -4.916 293 HG23 THR 34 3HG2 THR 34 10.247 -1.894 -3.916 294 H ASP 35 H ASP 35 10.131 -6.262 -5.122 295 HA ASP 35 HA ASP 35 8.754 -6.077 -2.537 296 HB2 ASP 35 2HB ASP 35 9.059 -8.498 -2.351 297 HB3 ASP 35 3HB ASP 35 8.330 -8.085 -3.892 298 H ASP 36 H ASP 36 11.824 -5.473 -3.742 299 HA ASP 36 HA ASP 36 13.392 -6.031 -1.401 300 HB2 ASP 36 2HB ASP 36 13.910 -3.871 -3.500 301 HB3 ASP 36 3HB ASP 36 15.082 -4.564 -2.390 302 H LYS 37 H LYS 37 12.769 -5.119 0.499 303 HA LYS 37 HA LYS 37 10.925 -3.010 0.722 304 HB2 LYS 37 2HB LYS 37 11.360 -3.148 3.185 305 HB3 LYS 37 3HB LYS 37 10.998 -4.689 2.418 306 HG2 LYS 37 2HG LYS 37 13.411 -5.252 2.411 307 HG3 LYS 37 3HG LYS 37 13.758 -3.724 3.231 308 HD2 LYS 37 2HD LYS 37 12.436 -4.440 5.188 309 HD3 LYS 37 3HD LYS 37 11.972 -5.931 4.356 310 HE2 LYS 37 2HE LYS 37 14.405 -6.562 4.277 311 HE3 LYS 37 3HE LYS 37 14.757 -5.137 5.259 312 HZ1 LYS 37 1HZ LYS 37 14.583 -7.058 6.656 313 HZ2 LYS 37 2HZ LYS 37 13.061 -7.446 6.041 314 HZ3 LYS 37 3HZ LYS 37 13.264 -6.050 6.970 315 H GLU 38 H GLU 38 14.425 -2.882 0.698 316 HA GLU 38 HA GLU 38 14.631 -0.171 1.682 317 HB2 GLU 38 2HB GLU 38 16.675 -1.820 0.130 318 HB3 GLU 38 3HB GLU 38 16.996 -0.301 0.968 319 HG2 GLU 38 2HG GLU 38 16.350 -1.425 3.122 320 HG3 GLU 38 3HG GLU 38 16.219 -2.946 2.238 321 H LYS 39 H LYS 39 14.522 -1.750 -1.491 322 HA LYS 39 HA LYS 39 15.060 0.542 -3.079 323 HB2 LYS 39 2HB LYS 39 15.310 -1.810 -3.883 324 HB3 LYS 39 3HB LYS 39 13.564 -2.012 -3.827 325 HG2 LYS 39 2HG LYS 39 14.308 -1.656 -6.121 326 HG3 LYS 39 3HG LYS 39 13.309 -0.295 -5.593 327 HD2 LYS 39 2HD LYS 39 15.386 1.020 -5.151 328 HD3 LYS 39 3HD LYS 39 16.354 -0.338 -5.741 329 HE2 LYS 39 2HE LYS 39 16.061 1.390 -7.474 330 HE3 LYS 39 3HE LYS 39 15.298 -0.126 -7.961 331 HZ1 LYS 39 1HZ LYS 39 13.867 1.727 -8.436 332 HZ2 LYS 39 2HZ LYS 39 13.910 2.257 -6.836 333 HZ3 LYS 39 3HZ LYS 39 13.155 0.793 -7.227 334 H VAL 40 H VAL 40 12.084 -0.857 -1.760 335 HA VAL 40 HA VAL 40 10.120 0.761 -2.867 336 HB VAL 40 HB VAL 40 10.329 -0.234 0.021 337 HG11 VAL 40 1HG1 VAL 40 7.880 0.766 -1.472 338 HG12 VAL 40 2HG1 VAL 40 8.688 1.580 -0.131 339 HG13 VAL 40 3HG1 VAL 40 7.875 0.038 0.135 340 HG21 VAL 40 1HG2 VAL 40 8.852 -2.089 -0.687 341 HG22 VAL 40 2HG2 VAL 40 10.366 -2.092 -1.592 342 HG23 VAL 40 3HG2 VAL 40 8.892 -1.491 -2.350 343 H LYS 41 H LYS 41 12.152 1.349 0.002 344 HA LYS 41 HA LYS 41 11.137 3.823 0.824 345 HB2 LYS 41 2HB LYS 41 13.916 2.631 1.172 346 HB3 LYS 41 3HB LYS 41 13.327 4.041 2.051 347 HG2 LYS 41 2HG LYS 41 11.566 2.684 3.094 348 HG3 LYS 41 3HG LYS 41 12.110 1.262 2.191 349 HD2 LYS 41 2HD LYS 41 14.296 1.352 3.336 350 HD3 LYS 41 3HD LYS 41 13.798 2.811 4.201 351 HE2 LYS 41 2HE LYS 41 12.016 1.530 5.323 352 HE3 LYS 41 3HE LYS 41 12.523 0.071 4.462 353 HZ1 LYS 41 1HZ LYS 41 13.486 0.042 6.618 354 HZ2 LYS 41 2HZ LYS 41 14.087 1.608 6.465 355 HZ3 LYS 41 3HZ LYS 41 14.739 0.354 5.524 356 H GLU 42 H GLU 42 13.721 3.042 -1.448 357 HA GLU 42 HA GLU 42 14.732 5.585 -2.032 358 HB2 GLU 42 2HB GLU 42 14.348 3.243 -3.944 359 HB3 GLU 42 3HB GLU 42 15.449 4.593 -4.194 360 HG2 GLU 42 2HG GLU 42 15.649 2.571 -1.943 361 HG3 GLU 42 3HG GLU 42 16.576 2.507 -3.437 362 H GLU 43 H GLU 43 12.042 3.770 -3.508 363 HA GLU 43 HA GLU 43 11.312 5.886 -5.328 364 HB2 GLU 43 2HB GLU 43 9.836 3.307 -4.651 365 HB3 GLU 43 3HB GLU 43 9.496 4.360 -6.028 366 HG2 GLU 43 2HG GLU 43 11.925 3.949 -6.757 367 HG3 GLU 43 3HG GLU 43 11.973 2.699 -5.523 368 H ILE 44 H ILE 44 10.353 5.099 -2.044 369 HA ILE 44 HA ILE 44 7.909 6.556 -1.880 370 HB ILE 44 HB ILE 44 10.004 5.965 0.278 371 HG12 ILE 44 2HG1 ILE 44 7.286 4.689 -0.273 372 HG13 ILE 44 3HG1 ILE 44 8.862 3.952 -0.526 373 HG21 ILE 44 1HG2 ILE 44 7.257 7.199 0.711 374 HG22 ILE 44 2HG2 ILE 44 8.808 8.001 0.956 375 HG23 ILE 44 3HG2 ILE 44 8.345 6.652 1.990 376 HD11 ILE 44 1HD1 ILE 44 7.670 4.692 2.147 377 HD12 ILE 44 2HD1 ILE 44 9.261 3.971 1.889 378 HD13 ILE 44 3HD1 ILE 44 7.807 3.073 1.461 379 H GLU 45 H GLU 45 11.305 7.423 -1.279 380 HA GLU 45 HA GLU 45 10.955 10.129 -0.612 381 HB2 GLU 45 2HB GLU 45 13.348 8.758 -1.901 382 HB3 GLU 45 3HB GLU 45 13.377 10.372 -1.187 383 HG2 GLU 45 2HG GLU 45 12.843 9.422 1.019 384 HG3 GLU 45 3HG GLU 45 12.771 7.806 0.314 385 H LYS 46 H LYS 46 11.548 8.547 -3.764 386 HA LYS 46 HA LYS 46 11.740 10.846 -5.368 387 HB2 LYS 46 2HB LYS 46 10.718 8.071 -6.110 388 HB3 LYS 46 3HB LYS 46 11.068 9.343 -7.277 389 HG2 LYS 46 2HG LYS 46 13.461 9.340 -6.452 390 HG3 LYS 46 3HG LYS 46 13.051 7.936 -5.463 391 HD2 LYS 46 2HD LYS 46 14.102 7.168 -7.531 392 HD3 LYS 46 3HD LYS 46 12.404 6.691 -7.540 393 HE2 LYS 46 2HE LYS 46 11.879 8.598 -9.036 394 HE3 LYS 46 3HE LYS 46 13.573 9.089 -9.008 395 HZ1 LYS 46 1HZ LYS 46 13.061 7.857 -11.006 396 HZ2 LYS 46 2HZ LYS 46 12.522 6.533 -10.106 397 HZ3 LYS 46 3HZ LYS 46 14.152 6.977 -10.055 398 H ALA 47 H ALA 47 8.883 8.966 -4.370 399 HA ALA 47 HA ALA 47 6.951 10.396 -5.889 400 HB1 ALA 47 1HB ALA 47 5.300 9.278 -4.461 401 HB2 ALA 47 2HB ALA 47 6.583 8.779 -3.351 402 HB3 ALA 47 3HB ALA 47 6.543 8.149 -5.000 403 H ARG 48 H ARG 48 8.339 10.899 -2.678 404 HA ARG 48 HA ARG 48 6.567 12.973 -1.818 405 HB2 ARG 48 2HB ARG 48 7.918 11.667 -0.213 406 HB3 ARG 48 3HB ARG 48 9.406 12.283 -0.925 407 HG2 ARG 48 2HG ARG 48 8.741 14.591 -0.203 408 HG3 ARG 48 3HG ARG 48 7.324 13.899 0.589 409 HD2 ARG 48 2HD ARG 48 8.769 12.625 2.116 410 HD3 ARG 48 3HD ARG 48 10.208 13.220 1.276 411 HE ARG 48 HE ARG 48 8.552 15.347 2.245 412 HH11 ARG 48 1HH1 ARG 48 11.047 13.073 3.270 413 HH12 ARG 48 2HH1 ARG 48 11.600 14.084 4.571 414 HH21 ARG 48 1HH2 ARG 48 9.278 16.669 3.927 415 HH22 ARG 48 2HH2 ARG 48 10.588 16.143 4.944 416 H LYS 49 H LYS 49 9.613 12.888 -3.622 417 HA LYS 49 HA LYS 49 10.062 15.690 -3.816 418 HB2 LYS 49 2HB LYS 49 10.924 13.494 -5.753 419 HB3 LYS 49 3HB LYS 49 11.540 15.141 -5.746 420 HG2 LYS 49 2HG LYS 49 11.980 13.008 -3.643 421 HG3 LYS 49 3HG LYS 49 13.175 13.692 -4.739 422 HD2 LYS 49 2HD LYS 49 11.781 15.151 -2.462 423 HD3 LYS 49 3HD LYS 49 13.450 14.579 -2.471 424 HE2 LYS 49 2HE LYS 49 12.329 16.693 -4.344 425 HE3 LYS 49 3HE LYS 49 13.279 17.016 -2.897 426 HZ1 LYS 49 1HZ LYS 49 14.613 17.103 -4.911 427 HZ2 LYS 49 2HZ LYS 49 14.244 15.490 -5.260 428 HZ3 LYS 49 3HZ LYS 49 15.147 15.874 -3.883 429 H GLN 50 H GLN 50 8.328 13.368 -5.857 430 HA GLN 50 HA GLN 50 7.366 15.205 -7.830 431 HB2 GLN 50 2HB GLN 50 6.320 12.469 -6.957 432 HB3 GLN 50 3HB GLN 50 5.768 13.339 -8.386 433 HG2 GLN 50 2HG GLN 50 7.982 13.149 -9.405 434 HG3 GLN 50 3HG GLN 50 8.614 12.382 -7.950 435 HE21 GLN 50 1HE2 GLN 50 6.628 11.940 -10.788 436 HE22 GLN 50 2HE2 GLN 50 6.494 10.217 -10.682 437 H GLY 51 H GLY 51 6.428 14.407 -4.595 438 HA2 GLY 51 2HA GLY 51 4.968 15.356 -3.126 439 HA3 GLY 51 3HA GLY 51 4.681 16.617 -4.316 440 H ARG 52 H ARG 52 4.099 13.147 -4.711 441 HA ARG 52 HA ARG 52 1.191 13.648 -5.011 442 HB2 ARG 52 2HB ARG 52 1.167 12.459 -7.127 443 HB3 ARG 52 3HB ARG 52 2.330 13.773 -7.235 444 HG2 ARG 52 2HG ARG 52 4.179 12.146 -6.886 445 HG3 ARG 52 3HG ARG 52 2.994 10.834 -6.833 446 HD2 ARG 52 2HD ARG 52 4.057 11.026 -9.055 447 HD3 ARG 52 3HD ARG 52 2.317 11.318 -9.142 448 HE ARG 52 HE ARG 52 3.320 13.817 -8.877 449 HH11 ARG 52 1HH1 ARG 52 4.142 11.226 -11.140 450 HH12 ARG 52 2HH1 ARG 52 4.619 12.327 -12.395 451 HH21 ARG 52 1HH2 ARG 52 3.939 15.227 -10.534 452 HH22 ARG 52 2HH2 ARG 52 4.502 14.599 -12.053 453 HA PRO 53 HA PRO 53 0.589 9.556 -3.096 454 HB2 PRO 53 2HB PRO 53 -1.216 8.350 -4.894 455 HB3 PRO 53 3HB PRO 53 -1.655 9.448 -3.578 456 HG2 PRO 53 2HG PRO 53 -1.248 10.079 -6.480 457 HG3 PRO 53 3HG PRO 53 -2.529 10.637 -5.376 458 HD2 PRO 53 2HD PRO 53 -0.487 12.245 -5.980 459 HD3 PRO 53 3HD PRO 53 -1.116 12.197 -4.315 460 H ILE 54 H ILE 54 1.096 7.390 -3.297 461 HA ILE 54 HA ILE 54 2.238 6.278 -5.727 462 HB ILE 54 HB ILE 54 4.208 7.319 -4.714 463 HG12 ILE 54 2HG1 ILE 54 4.271 4.303 -4.255 464 HG13 ILE 54 3HG1 ILE 54 4.559 5.117 -5.789 465 HG21 ILE 54 1HG2 ILE 54 3.443 7.522 -2.399 466 HG22 ILE 54 2HG2 ILE 54 5.037 6.771 -2.470 467 HG23 ILE 54 3HG2 ILE 54 3.606 5.779 -2.179 468 HD11 ILE 54 1HD1 ILE 54 6.630 4.394 -4.743 469 HD12 ILE 54 2HD1 ILE 54 6.284 5.372 -3.320 470 HD13 ILE 54 3HD1 ILE 54 6.572 6.149 -4.880 471 H VAL 55 H VAL 55 1.863 4.074 -5.815 472 HA VAL 55 HA VAL 55 0.715 2.757 -3.417 473 HB VAL 55 HB VAL 55 -0.036 2.112 -6.318 474 HG11 VAL 55 1HG1 VAL 55 -1.901 0.850 -5.297 475 HG12 VAL 55 2HG1 VAL 55 -1.304 1.254 -3.686 476 HG13 VAL 55 3HG1 VAL 55 -0.338 0.233 -4.755 477 HG21 VAL 55 1HG2 VAL 55 -0.835 4.382 -5.792 478 HG22 VAL 55 2HG2 VAL 55 -1.619 3.788 -4.328 479 HG23 VAL 55 3HG2 VAL 55 -2.191 3.257 -5.912 480 H ILE 56 H ILE 56 2.077 1.312 -2.699 481 HA ILE 56 HA ILE 56 4.226 0.159 -4.311 482 HB ILE 56 HB ILE 56 3.659 -0.110 -1.308 483 HG12 ILE 56 2HG1 ILE 56 4.094 2.266 -1.918 484 HG13 ILE 56 3HG1 ILE 56 5.378 1.602 -0.919 485 HG21 ILE 56 1HG2 ILE 56 6.018 -0.834 -1.125 486 HG22 ILE 56 2HG2 ILE 56 6.183 -0.767 -2.880 487 HG23 ILE 56 3HG2 ILE 56 5.077 -1.928 -2.140 488 HD11 ILE 56 1HD1 ILE 56 5.489 2.048 -3.898 489 HD12 ILE 56 2HD1 ILE 56 6.785 1.350 -2.920 490 HD13 ILE 56 3HD1 ILE 56 6.269 3.013 -2.648 491 H PHE 57 H PHE 57 4.186 -1.959 -4.942 492 HA PHE 57 HA PHE 57 2.091 -3.782 -3.904 493 HB2 PHE 57 2HB PHE 57 3.283 -3.690 -6.728 494 HB3 PHE 57 3HB PHE 57 2.121 -4.882 -6.152 495 HD1 PHE 57 HD1 PHE 57 -0.227 -4.188 -5.622 496 HD2 PHE 57 HD2 PHE 57 2.550 -1.487 -7.450 497 HE1 PHE 57 HE1 PHE 57 -2.078 -2.725 -6.300 498 HE2 PHE 57 HE2 PHE 57 0.684 -0.034 -8.120 499 HZ PHE 57 HZ PHE 57 -1.626 -0.654 -7.541 500 H ILE 58 H ILE 58 3.049 -5.265 -2.653 501 HA ILE 58 HA ILE 58 5.665 -6.413 -3.475 502 HB ILE 58 HB ILE 58 4.720 -6.006 -0.595 503 HG12 ILE 58 2HG1 ILE 58 6.921 -4.527 -2.116 504 HG13 ILE 58 3HG1 ILE 58 5.359 -3.849 -1.673 505 HG21 ILE 58 1HG2 ILE 58 6.115 -8.019 -0.856 506 HG22 ILE 58 2HG2 ILE 58 6.989 -6.777 0.040 507 HG23 ILE 58 3HG2 ILE 58 7.364 -7.067 -1.657 508 HD11 ILE 58 1HD1 ILE 58 7.529 -4.716 0.233 509 HD12 ILE 58 2HD1 ILE 58 5.938 -4.107 0.699 510 HD13 ILE 58 3HD1 ILE 58 7.057 -3.067 -0.178 511 H ARG 59 H ARG 59 5.535 -8.514 -3.921 512 HA ARG 59 HA ARG 59 3.393 -10.222 -3.006 513 HB2 ARG 59 2HB ARG 59 4.404 -10.617 -5.211 514 HB3 ARG 59 3HB ARG 59 5.985 -10.863 -4.473 515 HG2 ARG 59 2HG ARG 59 4.825 -12.829 -3.179 516 HG3 ARG 59 3HG ARG 59 3.554 -12.674 -4.396 517 HD2 ARG 59 2HD ARG 59 5.209 -14.413 -4.987 518 HD3 ARG 59 3HD ARG 59 5.176 -13.106 -6.176 519 HE ARG 59 HE ARG 59 7.227 -13.293 -4.035 520 HH11 ARG 59 1HH1 ARG 59 6.417 -12.720 -7.416 521 HH12 ARG 59 2HH1 ARG 59 8.038 -12.334 -7.869 522 HH21 ARG 59 1HH2 ARG 59 9.336 -12.753 -4.621 523 HH22 ARG 59 2HH2 ARG 59 9.709 -12.354 -6.268 524 H GLY 60 H GLY 60 3.382 -11.197 -1.058 525 HA2 GLY 60 2HA GLY 60 4.057 -12.478 0.718 526 HA3 GLY 60 3HA GLY 60 5.562 -12.751 -0.136 527 H ALA 61 H ALA 61 4.352 -9.583 0.906 528 HA ALA 61 HA ALA 61 6.732 -8.958 2.344 529 HB1 ALA 61 1HB ALA 61 5.595 -6.894 3.007 530 HB2 ALA 61 2HB ALA 61 4.054 -7.541 2.445 531 HB3 ALA 61 3HB ALA 61 5.336 -7.211 1.291 532 H THR 62 H THR 62 7.193 -10.182 4.090 533 HA THR 62 HA THR 62 5.299 -11.049 6.051 534 HB THR 62 HB THR 62 7.438 -12.247 5.627 535 HG1 THR 62 HG1 THR 62 6.423 -12.595 7.610 536 HG21 THR 62 1HG2 THR 62 8.779 -9.901 7.025 537 HG22 THR 62 2HG2 THR 62 8.980 -10.347 5.325 538 HG23 THR 62 3HG2 THR 62 9.558 -11.418 6.606 539 H GLU 63 H GLU 63 5.630 -10.400 8.438 540 HA GLU 63 HA GLU 63 4.499 -7.907 8.780 541 HB2 GLU 63 2HB GLU 63 4.599 -10.016 10.320 542 HB3 GLU 63 3HB GLU 63 6.050 -9.309 10.999 543 HG2 GLU 63 2HG GLU 63 3.338 -7.941 10.994 544 HG3 GLU 63 3HG GLU 63 3.914 -8.953 12.309 545 H GLU 64 H GLU 64 7.895 -8.822 9.262 546 HA GLU 64 HA GLU 64 8.702 -6.292 10.310 547 HB2 GLU 64 2HB GLU 64 10.942 -7.229 10.385 548 HB3 GLU 64 3HB GLU 64 9.769 -8.382 10.989 549 HG2 GLU 64 2HG GLU 64 11.135 -9.762 9.752 550 HG3 GLU 64 3HG GLU 64 9.880 -9.392 8.575 551 H VAL 65 H VAL 65 8.472 -7.516 7.043 552 HA VAL 65 HA VAL 65 10.001 -5.452 5.768 553 HB VAL 65 HB VAL 65 7.720 -7.222 4.742 554 HG11 VAL 65 1HG1 VAL 65 7.700 -5.170 3.392 555 HG12 VAL 65 2HG1 VAL 65 8.284 -6.532 2.436 556 HG13 VAL 65 3HG1 VAL 65 9.426 -5.344 3.065 557 HG21 VAL 65 1HG2 VAL 65 10.701 -7.362 4.175 558 HG22 VAL 65 2HG2 VAL 65 9.470 -8.456 3.534 559 HG23 VAL 65 3HG2 VAL 65 9.810 -8.423 5.266 560 H VAL 66 H VAL 66 6.516 -5.897 6.471 561 HA VAL 66 HA VAL 66 5.652 -3.586 5.070 562 HB VAL 66 HB VAL 66 4.128 -4.959 7.318 563 HG11 VAL 66 1HG1 VAL 66 3.114 -2.851 6.582 564 HG12 VAL 66 2HG1 VAL 66 2.113 -4.211 6.073 565 HG13 VAL 66 3HG1 VAL 66 3.145 -3.390 4.900 566 HG21 VAL 66 1HG2 VAL 66 3.159 -6.466 5.618 567 HG22 VAL 66 2HG2 VAL 66 4.906 -6.675 5.743 568 HG23 VAL 66 3HG2 VAL 66 4.225 -5.772 4.390 569 H ARG 67 H ARG 67 5.943 -4.174 8.611 570 HA ARG 67 HA ARG 67 5.158 -1.651 9.530 571 HB2 ARG 67 2HB ARG 67 6.145 -2.249 11.672 572 HB3 ARG 67 3HB ARG 67 5.429 -3.697 10.973 573 HG2 ARG 67 2HG ARG 67 7.667 -4.466 10.255 574 HG3 ARG 67 3HG ARG 67 8.388 -3.008 10.935 575 HD2 ARG 67 2HD ARG 67 7.540 -3.733 13.198 576 HD3 ARG 67 3HD ARG 67 7.015 -5.252 12.455 577 HE ARG 67 HE ARG 67 9.818 -4.469 12.138 578 HH11 ARG 67 1HH1 ARG 67 7.541 -6.601 13.794 579 HH12 ARG 67 2HH1 ARG 67 8.787 -7.682 14.339 580 HH21 ARG 67 1HH2 ARG 67 11.416 -5.883 12.876 581 HH22 ARG 67 2HH2 ARG 67 10.973 -7.273 13.819 582 H ASP 68 H ASP 68 8.215 -2.733 8.278 583 HA ASP 68 HA ASP 68 9.921 -0.702 9.329 584 HB2 ASP 68 2HB ASP 68 10.576 -3.045 8.665 585 HB3 ASP 68 3HB ASP 68 10.332 -2.606 6.982 586 H ILE 69 H ILE 69 8.267 -1.259 6.260 587 HA ILE 69 HA ILE 69 9.246 1.093 4.906 588 HB ILE 69 HB ILE 69 6.934 -0.800 4.283 589 HG12 ILE 69 2HG1 ILE 69 9.739 -0.698 3.067 590 HG13 ILE 69 3HG1 ILE 69 9.217 -1.854 4.290 591 HG21 ILE 69 1HG2 ILE 69 6.549 1.350 3.168 592 HG22 ILE 69 2HG2 ILE 69 6.968 0.107 1.990 593 HG23 ILE 69 3HG2 ILE 69 8.172 1.301 2.475 594 HD11 ILE 69 1HD1 ILE 69 8.125 -1.612 1.491 595 HD12 ILE 69 2HD1 ILE 69 7.542 -2.728 2.730 596 HD13 ILE 69 3HD1 ILE 69 9.187 -2.871 2.120 597 H VAL 70 H VAL 70 6.257 0.263 6.671 598 HA VAL 70 HA VAL 70 4.684 2.502 5.954 599 HB VAL 70 HB VAL 70 4.540 0.619 8.350 600 HG11 VAL 70 1HG1 VAL 70 2.261 1.484 8.813 601 HG12 VAL 70 2HG1 VAL 70 2.500 2.749 7.604 602 HG13 VAL 70 3HG1 VAL 70 3.497 2.722 9.058 603 HG21 VAL 70 1HG2 VAL 70 4.053 -0.391 6.144 604 HG22 VAL 70 2HG2 VAL 70 2.797 0.815 5.859 605 HG23 VAL 70 3HG2 VAL 70 2.612 -0.362 7.163 606 H GLU 71 H GLU 71 6.744 1.924 8.837 607 HA GLU 71 HA GLU 71 6.266 4.422 10.088 608 HB2 GLU 71 2HB GLU 71 8.060 3.847 11.602 609 HB3 GLU 71 3HB GLU 71 7.108 2.414 11.260 610 HG2 GLU 71 2HG GLU 71 9.131 1.405 11.024 611 HG3 GLU 71 3HG GLU 71 9.077 2.084 9.405 612 H TYR 72 H TYR 72 8.461 3.436 7.585 613 HA TYR 72 HA TYR 72 10.275 5.622 7.664 614 HB2 TYR 72 2HB TYR 72 10.763 3.435 6.550 615 HB3 TYR 72 3HB TYR 72 9.547 3.792 5.328 616 HD1 TYR 72 HD1 TYR 72 12.894 4.710 6.612 617 HD2 TYR 72 HD2 TYR 72 10.017 5.387 3.520 618 HE1 TYR 72 HE1 TYR 72 14.575 5.928 5.313 619 HE2 TYR 72 HE2 TYR 72 11.698 6.602 2.213 620 HH TYR 72 HH TYR 72 13.788 7.838 2.654 621 H ALA 73 H ALA 73 7.366 4.921 5.746 622 HA ALA 73 HA ALA 73 7.278 7.277 4.205 623 HB1 ALA 73 1HB ALA 73 4.919 6.663 3.808 624 HB2 ALA 73 2HB ALA 73 5.014 5.475 5.113 625 HB3 ALA 73 3HB ALA 73 5.990 5.270 3.655 626 H GLN 74 H GLN 74 6.205 6.531 7.453 627 HA GLN 74 HA GLN 74 4.728 8.937 7.941 628 HB2 GLN 74 2HB GLN 74 5.911 6.850 9.798 629 HB3 GLN 74 3HB GLN 74 4.897 8.182 10.351 630 HG2 GLN 74 2HG GLN 74 3.003 7.336 9.061 631 HG3 GLN 74 3HG GLN 74 4.005 6.057 8.369 632 HE21 GLN 74 1HE2 GLN 74 2.548 7.234 11.325 633 HE22 GLN 74 2HE2 GLN 74 2.595 5.728 12.158 634 H LYS 75 H LYS 75 8.109 7.941 8.467 635 HA LYS 75 HA LYS 75 9.080 10.172 9.874 636 HB2 LYS 75 2HB LYS 75 10.403 8.342 7.839 637 HB3 LYS 75 3HB LYS 75 11.294 9.671 8.568 638 HG2 LYS 75 2HG LYS 75 10.979 8.683 10.796 639 HG3 LYS 75 3HG LYS 75 10.059 7.346 10.093 640 HD2 LYS 75 2HD LYS 75 11.968 6.462 8.980 641 HD3 LYS 75 3HD LYS 75 12.886 7.960 9.159 642 HE2 LYS 75 2HE LYS 75 13.724 6.203 10.667 643 HE3 LYS 75 3HE LYS 75 13.087 7.574 11.572 644 HZ1 LYS 75 1HZ LYS 75 12.457 5.336 12.435 645 HZ2 LYS 75 2HZ LYS 75 11.524 5.111 11.049 646 HZ3 LYS 75 3HZ LYS 75 11.148 6.358 12.119 647 H GLU 76 H GLU 76 8.399 9.699 6.457 648 HA GLU 76 HA GLU 76 9.473 12.211 5.543 649 HB2 GLU 76 2HB GLU 76 7.620 10.225 4.155 650 HB3 GLU 76 3HB GLU 76 8.490 11.539 3.371 651 HG2 GLU 76 2HG GLU 76 9.750 9.135 4.726 652 HG3 GLU 76 3HG GLU 76 9.580 9.366 2.989 653 H GLY 77 H GLY 77 6.620 11.399 7.172 654 HA2 GLY 77 2HA GLY 77 4.915 12.782 7.904 655 HA3 GLY 77 3HA GLY 77 5.497 14.050 6.839 656 H LEU 78 H LEU 78 4.877 10.884 5.552 657 HA LEU 78 HA LEU 78 2.763 11.997 3.835 658 HB2 LEU 78 2HB LEU 78 4.199 9.333 3.522 659 HB3 LEU 78 3HB LEU 78 3.251 10.181 2.308 660 HG LEU 78 HG LEU 78 5.999 10.954 3.366 661 HD11 LEU 78 1HD1 LEU 78 5.129 10.134 0.583 662 HD12 LEU 78 2HD1 LEU 78 6.064 9.164 1.724 663 HD13 LEU 78 3HD1 LEU 78 6.755 10.641 1.058 664 HD21 LEU 78 1HD2 LEU 78 5.977 12.865 1.817 665 HD22 LEU 78 2HD2 LEU 78 4.746 13.013 3.067 666 HD23 LEU 78 3HD2 LEU 78 4.286 12.535 1.434 667 H ARG 79 H ARG 79 0.767 10.939 3.548 668 HA ARG 79 HA ARG 79 -0.344 9.644 5.884 669 HB2 ARG 79 2HB ARG 79 -1.540 11.393 4.557 670 HB3 ARG 79 3HB ARG 79 -1.587 10.307 3.172 671 HG2 ARG 79 2HG ARG 79 -3.021 8.741 4.479 672 HG3 ARG 79 3HG ARG 79 -2.986 9.867 5.841 673 HD2 ARG 79 2HD ARG 79 -4.169 10.391 3.089 674 HD3 ARG 79 3HD ARG 79 -5.069 10.131 4.583 675 HE ARG 79 HE ARG 79 -3.956 12.256 5.396 676 HH11 ARG 79 1HH1 ARG 79 -4.498 11.748 1.955 677 HH12 ARG 79 2HH1 ARG 79 -4.565 13.438 1.592 678 HH21 ARG 79 1HH2 ARG 79 -4.079 14.484 4.898 679 HH22 ARG 79 2HH2 ARG 79 -4.331 14.982 3.256 680 H VAL 80 H VAL 80 -0.537 7.418 6.149 681 HA VAL 80 HA VAL 80 0.197 5.706 3.845 682 HB VAL 80 HB VAL 80 0.456 4.952 6.791 683 HG11 VAL 80 1HG1 VAL 80 1.914 3.138 5.929 684 HG12 VAL 80 2HG1 VAL 80 1.598 3.667 4.275 685 HG13 VAL 80 3HG1 VAL 80 0.282 3.028 5.262 686 HG21 VAL 80 1HG2 VAL 80 1.942 6.862 6.312 687 HG22 VAL 80 2HG2 VAL 80 2.625 6.005 4.930 688 HG23 VAL 80 3HG2 VAL 80 2.885 5.390 6.565 689 H LEU 81 H LEU 81 -1.369 4.607 2.975 690 HA LEU 81 HA LEU 81 -3.726 3.649 4.503 691 HB2 LEU 81 2HB LEU 81 -3.457 4.078 1.479 692 HB3 LEU 81 3HB LEU 81 -4.892 3.541 2.321 693 HG LEU 81 HG LEU 81 -5.243 5.799 1.619 694 HD11 LEU 81 1HD1 LEU 81 -5.751 6.966 3.676 695 HD12 LEU 81 2HD1 LEU 81 -4.732 5.847 4.588 696 HD13 LEU 81 3HD1 LEU 81 -6.188 5.260 3.779 697 HD21 LEU 81 1HD2 LEU 81 -2.711 6.621 3.054 698 HD22 LEU 81 2HD2 LEU 81 -3.845 7.698 2.230 699 HD23 LEU 81 3HD2 LEU 81 -2.932 6.506 1.308 700 H VAL 82 H VAL 82 -3.722 1.390 4.743 701 HA VAL 82 HA VAL 82 -1.847 -0.178 3.051 702 HB VAL 82 HB VAL 82 -2.456 -0.696 6.001 703 HG11 VAL 82 1HG1 VAL 82 -0.611 -2.351 5.891 704 HG12 VAL 82 2HG1 VAL 82 -0.459 -2.063 4.156 705 HG13 VAL 82 3HG1 VAL 82 -1.937 -2.776 4.804 706 HG21 VAL 82 1HG2 VAL 82 0.053 0.485 4.755 707 HG22 VAL 82 2HG2 VAL 82 -0.136 0.047 6.455 708 HG23 VAL 82 3HG2 VAL 82 -1.114 1.344 5.762 709 H ILE 83 H ILE 83 -2.826 -1.622 1.847 710 HA ILE 83 HA ILE 83 -5.231 -3.076 2.782 711 HB ILE 83 HB ILE 83 -4.103 -2.615 -0.020 712 HG12 ILE 83 2HG1 ILE 83 -6.758 -1.929 1.290 713 HG13 ILE 83 3HG1 ILE 83 -5.504 -0.808 0.787 714 HG21 ILE 83 1HG2 ILE 83 -4.765 -4.982 0.104 715 HG22 ILE 83 2HG2 ILE 83 -5.857 -4.075 -0.940 716 HG23 ILE 83 3HG2 ILE 83 -6.362 -4.514 0.693 717 HD11 ILE 83 1HD1 ILE 83 -7.237 -2.471 -1.034 718 HD12 ILE 83 2HD1 ILE 83 -5.952 -1.374 -1.550 719 HD13 ILE 83 3HD1 ILE 83 -7.368 -0.741 -0.719 720 H MET 84 H MET 84 -4.860 -5.089 3.491 721 HA MET 84 HA MET 84 -2.607 -6.681 2.391 722 HB2 MET 84 2HB MET 84 -3.749 -6.616 5.221 723 HB3 MET 84 3HB MET 84 -2.676 -7.888 4.654 724 HG2 MET 84 2HG MET 84 -0.841 -6.402 4.465 725 HG3 MET 84 3HG MET 84 -1.868 -4.975 4.580 726 HE1 MET 84 1HE MET 84 -3.700 -5.199 7.017 727 HE2 MET 84 2HE MET 84 -2.594 -3.845 6.778 728 HE3 MET 84 3HE MET 84 -2.653 -4.673 8.332 729 H VAL 85 H VAL 85 -3.433 -8.196 1.090 730 HA VAL 85 HA VAL 85 -5.988 -9.522 1.744 731 HB VAL 85 HB VAL 85 -5.167 -8.590 -1.053 732 HG11 VAL 85 1HG1 VAL 85 -7.657 -10.121 -0.183 733 HG12 VAL 85 2HG1 VAL 85 -6.333 -10.756 -1.164 734 HG13 VAL 85 3HG1 VAL 85 -7.365 -9.477 -1.802 735 HG21 VAL 85 1HG2 VAL 85 -7.479 -7.649 0.672 736 HG22 VAL 85 2HG2 VAL 85 -7.119 -7.106 -0.968 737 HG23 VAL 85 3HG2 VAL 85 -6.004 -6.745 0.347 738 H ASP 86 H ASP 86 -5.470 -11.555 2.136 739 HA ASP 86 HA ASP 86 -4.596 -13.293 0.113 740 HB2 ASP 86 2HB ASP 86 -2.327 -12.295 0.918 741 HB3 ASP 86 3HB ASP 86 -2.590 -13.173 2.420 742 H GLN 87 H GLN 87 -4.622 -15.549 0.883 743 HA GLN 87 HA GLN 87 -6.856 -15.959 2.621 744 HB2 GLN 87 2HB GLN 87 -5.043 -17.897 1.140 745 HB3 GLN 87 3HB GLN 87 -6.511 -18.377 1.989 746 HG2 GLN 87 2HG GLN 87 -7.891 -17.046 0.473 747 HG3 GLN 87 3HG GLN 87 -6.455 -16.371 -0.296 748 HE21 GLN 87 1HE2 GLN 87 -7.179 -17.081 -2.333 749 HE22 GLN 87 2HE2 GLN 87 -7.086 -18.741 -2.809 750 H ASP 88 H ASP 88 -3.387 -16.111 3.125 751 HA ASP 88 HA ASP 88 -3.625 -17.314 5.778 752 HB2 ASP 88 2HB ASP 88 -1.314 -16.140 4.192 753 HB3 ASP 88 3HB ASP 88 -1.158 -16.274 5.939 754 H GLN 89 H GLN 89 -5.233 -16.017 6.662 755 HA GLN 89 HA GLN 89 -5.128 -13.143 6.485 756 HB2 GLN 89 2HB GLN 89 -7.254 -14.467 6.247 757 HB3 GLN 89 3HB GLN 89 -7.152 -14.888 7.955 758 HG2 GLN 89 2HG GLN 89 -8.720 -13.014 7.519 759 HG3 GLN 89 3HG GLN 89 -7.398 -12.545 8.592 760 HE21 GLN 89 1HE2 GLN 89 -8.662 -12.249 5.321 761 HE22 GLN 89 2HE2 GLN 89 -7.729 -10.860 4.901 762 H GLU 90 H GLU 90 -4.846 -15.555 9.094 763 HA GLU 90 HA GLU 90 -4.847 -13.815 11.308 764 HB2 GLU 90 2HB GLU 90 -3.445 -16.506 10.993 765 HB3 GLU 90 3HB GLU 90 -3.772 -15.706 12.530 766 HG2 GLU 90 2HG GLU 90 -6.163 -15.954 12.234 767 HG3 GLU 90 3HG GLU 90 -5.953 -16.567 10.594 768 H GLU 91 H GLU 91 -2.312 -14.857 9.152 769 HA GLU 91 HA GLU 91 -0.030 -13.787 10.405 770 HB2 GLU 91 2HB GLU 91 -0.028 -15.438 8.540 771 HB3 GLU 91 3HB GLU 91 -0.628 -14.203 7.437 772 HG2 GLU 91 2HG GLU 91 1.436 -12.936 7.661 773 HG3 GLU 91 3HG GLU 91 2.026 -14.041 8.901 774 H LEU 92 H LEU 92 -2.226 -12.436 7.936 775 HA LEU 92 HA LEU 92 -0.980 -9.878 7.738 776 HB2 LEU 92 2HB LEU 92 -3.832 -10.684 7.038 777 HB3 LEU 92 3HB LEU 92 -3.030 -9.209 6.516 778 HG LEU 92 HG LEU 92 -2.209 -12.028 5.695 779 HD11 LEU 92 1HD1 LEU 92 -3.115 -11.452 3.490 780 HD12 LEU 92 2HD1 LEU 92 -3.675 -9.896 4.109 781 HD13 LEU 92 3HD1 LEU 92 -4.362 -11.398 4.734 782 HD21 LEU 92 1HD2 LEU 92 -0.281 -10.504 5.730 783 HD22 LEU 92 2HD2 LEU 92 -1.149 -9.353 4.709 784 HD23 LEU 92 3HD2 LEU 92 -0.716 -10.945 4.080 785 H GLU 93 H GLU 93 -3.218 -11.235 10.031 786 HA GLU 93 HA GLU 93 -4.287 -8.748 11.019 787 HB2 GLU 93 2HB GLU 93 -4.373 -11.577 12.134 788 HB3 GLU 93 3HB GLU 93 -5.155 -10.201 12.911 789 HG2 GLU 93 2HG GLU 93 -6.518 -9.848 10.834 790 HG3 GLU 93 3HG GLU 93 -5.790 -11.302 10.154 791 H ARG 94 H ARG 94 -1.437 -10.677 11.762 792 HA ARG 94 HA ARG 94 -0.777 -9.242 14.193 793 HB2 ARG 94 2HB ARG 94 0.183 -11.453 13.913 794 HB3 ARG 94 3HB ARG 94 0.887 -11.029 12.359 795 HG2 ARG 94 2HG ARG 94 2.620 -11.148 14.093 796 HG3 ARG 94 3HG ARG 94 2.474 -9.504 13.474 797 HD2 ARG 94 2HD ARG 94 1.035 -8.970 15.501 798 HD3 ARG 94 3HD ARG 94 1.451 -10.570 16.129 799 HE ARG 94 HE ARG 94 3.806 -9.155 15.441 800 HH11 ARG 94 1HH1 ARG 94 1.319 -9.165 17.946 801 HH12 ARG 94 2HH1 ARG 94 2.372 -8.484 19.147 802 HH21 ARG 94 1HH2 ARG 94 5.152 -8.234 17.049 803 HH22 ARG 94 2HH2 ARG 94 4.522 -7.962 18.643 804 H ILE 95 H ILE 95 0.005 -8.872 10.744 805 HA ILE 95 HA ILE 95 1.714 -6.610 10.986 806 HB ILE 95 HB ILE 95 -0.199 -7.155 8.660 807 HG12 ILE 95 2HG1 ILE 95 2.608 -8.306 9.062 808 HG13 ILE 95 3HG1 ILE 95 1.107 -9.220 9.108 809 HG21 ILE 95 1HG2 ILE 95 0.871 -4.939 8.647 810 HG22 ILE 95 2HG2 ILE 95 1.469 -5.934 7.321 811 HG23 ILE 95 3HG2 ILE 95 2.464 -5.693 8.758 812 HD11 ILE 95 1HD1 ILE 95 0.731 -8.740 6.745 813 HD12 ILE 95 2HD1 ILE 95 2.276 -9.543 7.015 814 HD13 ILE 95 3HD1 ILE 95 2.234 -7.812 6.687 815 H TYR 96 H TYR 96 -1.756 -7.034 10.581 816 HA TYR 96 HA TYR 96 -2.649 -4.423 10.292 817 HB2 TYR 96 2HB TYR 96 -3.991 -6.466 9.859 818 HB3 TYR 96 3HB TYR 96 -4.033 -6.824 11.573 819 HD1 TYR 96 HD1 TYR 96 -5.414 -4.714 8.895 820 HD2 TYR 96 HD2 TYR 96 -5.573 -5.584 13.071 821 HE1 TYR 96 HE1 TYR 96 -7.574 -3.557 9.050 822 HE2 TYR 96 HE2 TYR 96 -7.731 -4.408 13.235 823 HH TYR 96 HH TYR 96 -9.588 -3.578 10.544 824 H GLU 97 H GLU 97 -2.417 -6.376 13.296 825 HA GLU 97 HA GLU 97 -3.467 -4.418 15.045 826 HB2 GLU 97 2HB GLU 97 -2.654 -5.859 16.867 827 HB3 GLU 97 3HB GLU 97 -3.415 -6.824 15.619 828 HG2 GLU 97 2HG GLU 97 -1.205 -7.463 14.773 829 HG3 GLU 97 3HG GLU 97 -0.436 -6.469 16.006 830 H GLN 98 H GLN 98 -0.208 -5.038 13.893 831 HA GLN 98 HA GLN 98 1.244 -3.495 15.786 832 HB2 GLN 98 2HB GLN 98 2.254 -5.246 14.332 833 HB3 GLN 98 3HB GLN 98 1.944 -4.253 12.914 834 HG2 GLN 98 2HG GLN 98 4.287 -4.079 13.519 835 HG3 GLN 98 3HG GLN 98 3.504 -2.526 13.811 836 HE21 GLN 98 1HE2 GLN 98 5.141 -1.913 15.287 837 HE22 GLN 98 2HE2 GLN 98 5.249 -2.590 16.873 838 H LEU 99 H LEU 99 -0.093 -2.797 12.573 839 HA LEU 99 HA LEU 99 0.920 -0.087 12.454 840 HB2 LEU 99 2HB LEU 99 -1.104 -1.501 10.685 841 HB3 LEU 99 3HB LEU 99 -0.251 -0.015 10.290 842 HG LEU 99 HG LEU 99 0.948 -2.802 10.526 843 HD11 LEU 99 1HD1 LEU 99 -0.302 -2.465 8.463 844 HD12 LEU 99 2HD1 LEU 99 1.424 -2.593 8.134 845 HD13 LEU 99 3HD1 LEU 99 0.634 -1.012 8.101 846 HD21 LEU 99 1HD2 LEU 99 2.540 -1.205 11.408 847 HD22 LEU 99 2HD2 LEU 99 2.393 -0.207 9.960 848 HD23 LEU 99 3HD2 LEU 99 3.088 -1.827 9.853 849 H LYS 100 H LYS 100 -2.109 -1.669 13.228 850 HA LYS 100 HA LYS 100 -3.881 0.560 13.199 851 HB2 LYS 100 2HB LYS 100 -4.450 -1.970 13.098 852 HB3 LYS 100 3HB LYS 100 -4.221 -2.006 14.833 853 HG2 LYS 100 2HG LYS 100 -6.254 -0.171 13.538 854 HG3 LYS 100 3HG LYS 100 -6.624 -1.858 13.883 855 HD2 LYS 100 2HD LYS 100 -6.068 -1.389 16.315 856 HD3 LYS 100 3HD LYS 100 -5.933 0.320 15.891 857 HE2 LYS 100 2HE LYS 100 -8.425 -1.402 15.601 858 HE3 LYS 100 3HE LYS 100 -8.149 -0.169 16.831 859 HZ1 LYS 100 1HZ LYS 100 -8.294 0.344 13.905 860 HZ2 LYS 100 2HZ LYS 100 -8.104 1.516 15.113 861 HZ3 LYS 100 3HZ LYS 100 -9.541 0.632 15.006 862 H LYS 101 H LYS 101 -1.897 -1.023 15.628 863 HA LYS 101 HA LYS 101 -2.491 0.271 17.988 864 HB2 LYS 101 2HB LYS 101 -0.868 -1.613 17.620 865 HB3 LYS 101 3HB LYS 101 0.291 -0.457 16.977 866 HG2 LYS 101 2HG LYS 101 0.394 0.671 19.174 867 HG3 LYS 101 3HG LYS 101 -0.800 -0.460 19.820 868 HD2 LYS 101 2HD LYS 101 2.040 -1.059 18.927 869 HD3 LYS 101 3HD LYS 101 1.364 -1.218 20.548 870 HE2 LYS 101 2HE LYS 101 0.749 -2.953 18.128 871 HE3 LYS 101 3HE LYS 101 1.591 -3.429 19.603 872 HZ1 LYS 101 1HZ LYS 101 -0.668 -4.221 19.639 873 HZ2 LYS 101 2HZ LYS 101 -1.274 -2.666 19.394 874 HZ3 LYS 101 3HZ LYS 101 -0.478 -3.041 20.835 875 H ASP 102 H ASP 102 -0.320 1.346 15.387 876 HA ASP 102 HA ASP 102 0.487 3.803 16.622 877 HB2 ASP 102 2HB ASP 102 1.874 2.722 14.922 878 HB3 ASP 102 3HB ASP 102 0.583 2.810 13.734 879 H GLY 103 H GLY 103 -2.177 2.836 14.545 880 HA2 GLY 103 2HA GLY 103 -4.181 4.120 14.272 881 HA3 GLY 103 3HA GLY 103 -3.264 5.600 14.499 882 H VAL 104 H VAL 104 -1.700 3.321 12.483 883 HA VAL 104 HA VAL 104 -1.963 4.762 10.051 884 HB VAL 104 HB VAL 104 -1.206 1.815 10.431 885 HG11 VAL 104 1HG1 VAL 104 -0.626 3.653 8.075 886 HG12 VAL 104 2HG1 VAL 104 -1.753 2.293 8.084 887 HG13 VAL 104 3HG1 VAL 104 -0.023 2.003 8.268 888 HG21 VAL 104 1HG2 VAL 104 0.619 4.243 10.324 889 HG22 VAL 104 2HG2 VAL 104 1.143 2.558 10.412 890 HG23 VAL 104 3HG2 VAL 104 0.255 3.278 11.757 891 H ASP 105 H ASP 105 -3.311 4.397 8.243 892 HA ASP 105 HA ASP 105 -5.865 3.177 8.688 893 HB2 ASP 105 2HB ASP 105 -5.491 5.164 7.190 894 HB3 ASP 105 3HB ASP 105 -4.656 4.108 6.051 895 H VAL 106 H VAL 106 -6.121 1.048 8.692 896 HA VAL 106 HA VAL 106 -4.693 -0.654 6.729 897 HB VAL 106 HB VAL 106 -4.513 -2.427 8.584 898 HG11 VAL 106 1HG1 VAL 106 -2.427 -1.558 9.468 899 HG12 VAL 106 2HG1 VAL 106 -2.849 0.083 8.974 900 HG13 VAL 106 3HG1 VAL 106 -2.562 -1.165 7.757 901 HG21 VAL 106 1HG2 VAL 106 -6.079 -1.441 10.210 902 HG22 VAL 106 2HG2 VAL 106 -5.033 -0.034 10.406 903 HG23 VAL 106 3HG2 VAL 106 -4.482 -1.627 10.939 904 H ARG 107 H ARG 107 -5.718 -2.474 6.070 905 HA ARG 107 HA ARG 107 -8.241 -3.352 7.196 906 HB2 ARG 107 2HB ARG 107 -9.470 -3.228 5.028 907 HB3 ARG 107 3HB ARG 107 -9.049 -1.640 5.655 908 HG2 ARG 107 2HG ARG 107 -7.139 -1.531 4.062 909 HG3 ARG 107 3HG ARG 107 -7.623 -3.093 3.397 910 HD2 ARG 107 2HD ARG 107 -8.425 -1.275 1.975 911 HD3 ARG 107 3HD ARG 107 -9.795 -2.112 2.710 912 HE ARG 107 HE ARG 107 -8.780 0.321 4.005 913 HH11 ARG 107 1HH1 ARG 107 -11.332 -1.191 2.126 914 HH12 ARG 107 2HH1 ARG 107 -12.463 0.094 2.396 915 HH21 ARG 107 1HH2 ARG 107 -10.289 1.982 4.382 916 HH22 ARG 107 2HH2 ARG 107 -11.871 1.892 3.677 917 H VAL 108 H VAL 108 -8.601 -5.493 6.830 918 HA VAL 108 HA VAL 108 -6.742 -6.991 5.092 919 HB VAL 108 HB VAL 108 -6.792 -8.861 6.813 920 HG11 VAL 108 1HG1 VAL 108 -5.439 -6.294 7.696 921 HG12 VAL 108 2HG1 VAL 108 -4.809 -7.458 6.528 922 HG13 VAL 108 3HG1 VAL 108 -5.007 -7.927 8.216 923 HG21 VAL 108 1HG2 VAL 108 -7.848 -6.714 8.694 924 HG22 VAL 108 2HG2 VAL 108 -7.319 -8.333 9.166 925 HG23 VAL 108 3HG2 VAL 108 -8.739 -8.134 8.139 926 H THR 109 H THR 109 -7.641 -8.504 3.841 927 HA THR 109 HA THR 109 -10.145 -9.830 4.395 928 HB THR 109 HB THR 109 -11.077 -7.743 3.449 929 HG1 THR 109 HG1 THR 109 -12.482 -8.877 2.362 930 HG21 THR 109 1HG2 THR 109 -9.402 -8.294 0.973 931 HG22 THR 109 2HG2 THR 109 -9.167 -6.962 2.105 932 HG23 THR 109 3HG2 THR 109 -10.634 -7.033 1.128 933 H ASP 110 H ASP 110 -10.679 -11.239 2.307 934 HA ASP 110 HA ASP 110 -8.377 -11.878 0.659 935 HB2 ASP 110 2HB ASP 110 -8.444 -14.333 1.218 936 HB3 ASP 110 3HB ASP 110 -7.805 -13.318 2.497 937 H ASN 111 H ASN 111 -9.506 -11.244 -1.012 938 HA ASN 111 HA ASN 111 -11.493 -12.774 -2.321 939 HB2 ASN 111 2HB ASN 111 -12.876 -11.766 -0.411 940 HB3 ASN 111 3HB ASN 111 -12.523 -10.172 -1.058 941 HD21 ASN 111 1HD2 ASN 111 -14.444 -12.997 -1.340 942 HD22 ASN 111 2HD2 ASN 111 -15.429 -12.476 -2.655 943 H GLU 112 H GLU 112 -11.134 -12.228 -4.460 944 HA GLU 112 HA GLU 112 -9.274 -10.289 -5.237 945 HB2 GLU 112 2HB GLU 112 -9.851 -12.342 -6.562 946 HB3 GLU 112 3HB GLU 112 -11.389 -11.608 -7.002 947 HG2 GLU 112 2HG GLU 112 -10.137 -9.756 -8.129 948 HG3 GLU 112 3HG GLU 112 -8.625 -10.577 -7.757 949 H ASP 113 H ASP 113 -12.832 -10.270 -5.490 950 HA ASP 113 HA ASP 113 -13.058 -7.829 -6.893 951 HB2 ASP 113 2HB ASP 113 -15.075 -9.355 -5.194 952 HB3 ASP 113 3HB ASP 113 -15.494 -7.949 -6.170 953 H GLU 114 H GLU 114 -13.515 -8.578 -3.413 954 HA GLU 114 HA GLU 114 -14.149 -6.017 -2.500 955 HB2 GLU 114 2HB GLU 114 -12.950 -8.449 -1.164 956 HB3 GLU 114 3HB GLU 114 -12.997 -6.936 -0.271 957 HG2 GLU 114 2HG GLU 114 -15.406 -8.339 -1.458 958 HG3 GLU 114 3HG GLU 114 -14.919 -8.395 0.234 959 H ALA 115 H ALA 115 -10.963 -7.583 -2.752 960 HA ALA 115 HA ALA 115 -9.279 -5.642 -1.743 961 HB1 ALA 115 1HB ALA 115 -7.544 -6.631 -3.200 962 HB2 ALA 115 2HB ALA 115 -8.795 -7.448 -4.144 963 HB3 ALA 115 3HB ALA 115 -8.537 -7.879 -2.451 964 H LYS 116 H LYS 116 -10.586 -5.924 -5.013 965 HA LYS 116 HA LYS 116 -9.177 -3.716 -6.153 966 HB2 LYS 116 2HB LYS 116 -11.515 -5.405 -7.134 967 HB3 LYS 116 3HB LYS 116 -10.686 -4.206 -8.128 968 HG2 LYS 116 2HG LYS 116 -8.620 -5.455 -8.077 969 HG3 LYS 116 3HG LYS 116 -9.238 -6.536 -6.827 970 HD2 LYS 116 2HD LYS 116 -9.266 -7.727 -8.920 971 HD3 LYS 116 3HD LYS 116 -10.936 -7.388 -8.466 972 HE2 LYS 116 2HE LYS 116 -10.959 -5.487 -10.069 973 HE3 LYS 116 3HE LYS 116 -9.293 -5.872 -10.521 974 HZ1 LYS 116 1HZ LYS 116 -10.022 -8.038 -11.280 975 HZ2 LYS 116 2HZ LYS 116 -10.886 -6.822 -12.077 976 HZ3 LYS 116 3HZ LYS 116 -11.612 -7.708 -10.833 977 H LYS 117 H LYS 117 -12.353 -4.090 -4.652 978 HA LYS 117 HA LYS 117 -13.462 -1.595 -5.512 979 HB2 LYS 117 2HB LYS 117 -14.150 -3.304 -3.079 980 HB3 LYS 117 3HB LYS 117 -15.111 -1.948 -3.642 981 HG2 LYS 117 2HG LYS 117 -14.638 -4.514 -5.192 982 HG3 LYS 117 3HG LYS 117 -16.061 -4.168 -4.220 983 HD2 LYS 117 2HD LYS 117 -16.812 -3.688 -6.376 984 HD3 LYS 117 3HD LYS 117 -16.350 -2.089 -5.800 985 HE2 LYS 117 2HE LYS 117 -14.168 -2.355 -7.020 986 HE3 LYS 117 3HE LYS 117 -14.751 -3.895 -7.654 987 HZ1 LYS 117 1HZ LYS 117 -16.571 -2.714 -8.719 988 HZ2 LYS 117 2HZ LYS 117 -15.082 -2.113 -9.232 989 HZ3 LYS 117 3HZ LYS 117 -16.004 -1.241 -8.117 990 H ARG 118 H ARG 118 -11.759 -2.686 -2.603 991 HA ARG 118 HA ARG 118 -11.953 -0.160 -1.232 992 HB2 ARG 118 2HB ARG 118 -10.182 -2.524 -0.499 993 HB3 ARG 118 3HB ARG 118 -10.765 -1.249 0.568 994 HG2 ARG 118 2HG ARG 118 -12.389 -3.474 -0.689 995 HG3 ARG 118 3HG ARG 118 -12.016 -3.267 1.014 996 HD2 ARG 118 2HD ARG 118 -13.570 -1.511 1.260 997 HD3 ARG 118 3HD ARG 118 -13.618 -1.171 -0.472 998 HE ARG 118 HE ARG 118 -14.561 -3.806 0.163 999 HH11 ARG 118 1HH1 ARG 118 -15.597 -0.426 0.045 1000 HH12 ARG 118 2HH1 ARG 118 -17.270 -0.838 -0.168 1001 HH21 ARG 118 1HH2 ARG 118 -16.724 -4.309 -0.143 1002 HH22 ARG 118 2HH2 ARG 118 -17.906 -3.043 -0.276 1003 H LEU 119 H LEU 119 -9.733 -1.623 -3.435 1004 HA LEU 119 HA LEU 119 -7.417 -0.089 -2.955 1005 HB2 LEU 119 2HB LEU 119 -7.826 -2.196 -4.493 1006 HB3 LEU 119 3HB LEU 119 -8.265 -1.031 -5.719 1007 HG LEU 119 HG LEU 119 -5.952 -1.815 -6.004 1008 HD11 LEU 119 1HD1 LEU 119 -5.970 1.084 -5.171 1009 HD12 LEU 119 2HD1 LEU 119 -6.414 0.447 -6.755 1010 HD13 LEU 119 3HD1 LEU 119 -4.757 0.289 -6.179 1011 HD21 LEU 119 1HD2 LEU 119 -4.185 -1.343 -4.387 1012 HD22 LEU 119 2HD2 LEU 119 -5.436 -2.360 -3.676 1013 HD23 LEU 119 3HD2 LEU 119 -5.365 -0.643 -3.272 1014 H LYS 120 H LYS 120 -10.066 0.369 -5.363 1015 HA LYS 120 HA LYS 120 -9.294 2.934 -6.266 1016 HB2 LYS 120 2HB LYS 120 -10.928 1.451 -7.464 1017 HB3 LYS 120 3HB LYS 120 -12.114 1.760 -6.200 1018 HG2 LYS 120 2HG LYS 120 -12.146 4.166 -6.804 1019 HG3 LYS 120 3HG LYS 120 -10.915 3.873 -8.033 1020 HD2 LYS 120 2HD LYS 120 -13.085 4.035 -9.105 1021 HD3 LYS 120 3HD LYS 120 -12.505 2.373 -9.237 1022 HE2 LYS 120 2HE LYS 120 -14.887 2.413 -8.688 1023 HE3 LYS 120 3HE LYS 120 -13.981 1.732 -7.335 1024 HZ1 LYS 120 1HZ LYS 120 -14.104 3.897 -6.239 1025 HZ2 LYS 120 2HZ LYS 120 -15.641 3.292 -6.570 1026 HZ3 LYS 120 3HZ LYS 120 -14.996 4.521 -7.530 1027 H GLU 121 H GLU 121 -11.336 1.849 -3.621 1028 HA GLU 121 HA GLU 121 -12.591 4.188 -2.811 1029 HB2 GLU 121 2HB GLU 121 -13.001 1.807 -2.026 1030 HB3 GLU 121 3HB GLU 121 -11.585 1.965 -0.995 1031 HG2 GLU 121 2HG GLU 121 -12.732 3.896 0.145 1032 HG3 GLU 121 3HG GLU 121 -14.169 3.536 -0.808 1033 H LEU 122 H LEU 122 -9.417 2.859 -1.796 1034 HA LEU 122 HA LEU 122 -8.716 4.944 -0.006 1035 HB2 LEU 122 2HB LEU 122 -6.941 3.011 -1.548 1036 HB3 LEU 122 3HB LEU 122 -6.332 4.133 -0.342 1037 HG LEU 122 HG LEU 122 -8.160 1.747 0.131 1038 HD11 LEU 122 1HD1 LEU 122 -5.343 2.365 1.055 1039 HD12 LEU 122 2HD1 LEU 122 -5.825 1.171 -0.146 1040 HD13 LEU 122 3HD1 LEU 122 -6.292 0.960 1.538 1041 HD21 LEU 122 1HD2 LEU 122 -7.298 3.839 2.161 1042 HD22 LEU 122 2HD2 LEU 122 -8.119 2.319 2.530 1043 HD23 LEU 122 3HD2 LEU 122 -8.942 3.551 1.578 1044 H LEU 123 H LEU 123 -7.916 4.396 -3.447 1045 HA LEU 123 HA LEU 123 -6.286 6.610 -3.904 1046 HB2 LEU 123 2HB LEU 123 -7.988 4.850 -5.653 1047 HB3 LEU 123 3HB LEU 123 -7.439 6.356 -6.360 1048 HG LEU 123 HG LEU 123 -5.936 4.512 -6.965 1049 HD11 LEU 123 1HD1 LEU 123 -4.579 6.468 -5.081 1050 HD12 LEU 123 2HD1 LEU 123 -4.978 6.756 -6.777 1051 HD13 LEU 123 3HD1 LEU 123 -3.798 5.521 -6.353 1052 HD21 LEU 123 1HD2 LEU 123 -6.236 3.055 -5.022 1053 HD22 LEU 123 2HD2 LEU 123 -5.357 4.194 -4.003 1054 HD23 LEU 123 3HD2 LEU 123 -4.527 3.359 -5.322 1055 H GLU 124 H GLU 124 -9.809 6.425 -3.812 1056 HA GLU 124 HA GLU 124 -10.312 9.082 -4.798 1057 HB2 GLU 124 2HB GLU 124 -12.073 7.071 -3.334 1058 HB3 GLU 124 3HB GLU 124 -12.665 8.608 -3.965 1059 HG2 GLU 124 2HG GLU 124 -12.178 7.946 -6.246 1060 HG3 GLU 124 3HG GLU 124 -11.355 6.486 -5.703 1061 H LYS 125 H LYS 125 -9.921 7.622 -1.571 1062 HA LYS 125 HA LYS 125 -10.582 9.927 -0.010 1063 HB2 LYS 125 2HB LYS 125 -8.688 7.633 0.692 1064 HB3 LYS 125 3HB LYS 125 -9.352 8.790 1.844 1065 HG2 LYS 125 2HG LYS 125 -11.573 7.892 1.593 1066 HG3 LYS 125 3HG LYS 125 -11.076 6.903 0.214 1067 HD2 LYS 125 2HD LYS 125 -9.469 5.702 1.798 1068 HD3 LYS 125 3HD LYS 125 -10.263 6.556 3.126 1069 HE2 LYS 125 2HE LYS 125 -11.675 4.729 1.159 1070 HE3 LYS 125 3HE LYS 125 -11.123 4.234 2.755 1071 HZ1 LYS 125 1HZ LYS 125 -12.611 5.859 3.732 1072 HZ2 LYS 125 2HZ LYS 125 -13.463 4.773 2.759 1073 HZ3 LYS 125 3HZ LYS 125 -13.143 6.337 2.200 1074 H VAL 126 H VAL 126 -7.710 8.878 -1.677 1075 HA VAL 126 HA VAL 126 -5.847 10.650 -0.378 1076 HB VAL 126 HB VAL 126 -5.635 8.927 -2.895 1077 HG11 VAL 126 1HG1 VAL 126 -3.443 10.491 -1.489 1078 HG12 VAL 126 2HG1 VAL 126 -4.061 10.777 -3.120 1079 HG13 VAL 126 3HG1 VAL 126 -3.189 9.291 -2.754 1080 HG21 VAL 126 1HG2 VAL 126 -4.270 7.425 -1.501 1081 HG22 VAL 126 2HG2 VAL 126 -5.857 7.657 -0.770 1082 HG23 VAL 126 3HG2 VAL 126 -4.457 8.505 -0.116 1083 H LEU 127 H LEU 127 -7.557 10.607 -3.526 1084 HA LEU 127 HA LEU 127 -6.432 13.025 -4.526 1085 HB2 LEU 127 2HB LEU 127 -9.010 11.599 -5.289 1086 HB3 LEU 127 3HB LEU 127 -8.318 12.939 -6.192 1087 HG LEU 127 HG LEU 127 -7.011 10.211 -5.812 1088 HD11 LEU 127 1HD1 LEU 127 -7.446 9.861 -8.206 1089 HD12 LEU 127 2HD1 LEU 127 -8.326 11.390 -8.277 1090 HD13 LEU 127 3HD1 LEU 127 -8.939 10.062 -7.289 1091 HD21 LEU 127 1HD2 LEU 127 -6.053 12.590 -7.439 1092 HD22 LEU 127 2HD2 LEU 127 -5.334 10.977 -7.450 1093 HD23 LEU 127 3HD2 LEU 127 -5.305 11.940 -5.976 1094 H GLU 128 H GLU 128 -9.454 12.275 -2.822 1095 HA GLU 128 HA GLU 128 -10.529 14.880 -2.565 1096 HB2 GLU 128 2HB GLU 128 -11.797 12.816 -2.098 1097 HB3 GLU 128 3HB GLU 128 -10.723 12.435 -0.757 1098 HG2 GLU 128 2HG GLU 128 -11.577 14.797 0.162 1099 HG3 GLU 128 3HG GLU 128 -12.933 14.475 -0.920 1100 H HIS 129 H HIS 129 -8.310 12.990 -0.610 1101 HA HIS 129 HA HIS 129 -6.996 13.284 1.152 1102 HB2 HIS 129 2HB HIS 129 -5.394 15.134 1.046 1103 HB3 HIS 129 3HB HIS 129 -5.668 14.427 -0.535 1104 HD1 HIS 129 HD1 HIS 129 -6.245 16.015 -2.383 1105 HD2 HIS 129 HD2 HIS 129 -6.632 17.771 1.353 1106 HE1 HIS 129 HE1 HIS 129 -6.642 18.451 -2.817 1107 HE2 HIS 129 HE2 HIS 129 -7.139 19.425 -0.553 1108 H HIS 130 H HIS 130 -9.815 14.191 1.615 1109 HA HIS 130 HA HIS 130 -9.475 16.152 3.790 1110 HB2 HIS 130 2HB HIS 130 -11.994 14.822 2.694 1111 HB3 HIS 130 3HB HIS 130 -11.972 15.995 4.008 1112 HD1 HIS 130 HD1 HIS 130 -13.475 16.374 1.233 1113 HD2 HIS 130 HD2 HIS 130 -9.829 18.057 2.305 1114 HE1 HIS 130 HE1 HIS 130 -13.232 18.424 -0.190 1115 HE2 HIS 130 HE2 HIS 130 -11.119 19.514 0.616 1116 H HIS 131 H HIS 131 -10.698 12.835 3.286 1117 HA HIS 131 HA HIS 131 -10.930 12.284 6.094 1118 HB2 HIS 131 2HB HIS 131 -11.098 10.435 3.681 1119 HB3 HIS 131 3HB HIS 131 -11.361 9.911 5.340 1120 HD1 HIS 131 HD1 HIS 131 -13.183 12.131 6.381 1121 HD2 HIS 131 HD2 HIS 131 -13.660 10.339 2.659 1122 HE1 HIS 131 HE1 HIS 131 -15.597 12.445 5.781 1123 HE2 HIS 131 HE2 HIS 131 -15.842 11.418 3.506 1124 H HIS 132 H HIS 132 -8.774 12.879 6.740 1125 HA HIS 132 HA HIS 132 -6.699 10.861 6.347 1126 HB2 HIS 132 2HB HIS 132 -5.419 12.200 8.067 1127 HB3 HIS 132 3HB HIS 132 -5.866 13.117 6.638 1128 HD1 HIS 132 HD1 HIS 132 -7.778 14.914 6.925 1129 HD2 HIS 132 HD2 HIS 132 -6.419 13.216 10.467 1130 HE1 HIS 132 HE1 HIS 132 -8.588 16.427 8.758 1131 HE2 HIS 132 HE2 HIS 132 -7.876 15.297 10.889 1132 H HIS 133 H HIS 133 -6.337 9.176 7.735 1133 HA HIS 133 HA HIS 133 -8.574 8.068 8.982 1134 HB2 HIS 133 2HB HIS 133 -6.750 6.757 7.943 1135 HB3 HIS 133 3HB HIS 133 -5.668 7.220 9.253 1136 HD1 HIS 133 HD1 HIS 133 -5.339 5.193 10.668 1137 HD2 HIS 133 HD2 HIS 133 -9.282 5.545 9.414 1138 HE1 HIS 133 HE1 HIS 133 -6.555 3.260 11.712 1139 HE2 HIS 133 HE2 HIS 133 -8.871 3.395 10.759 1140 H HIS 134 H HIS 134 -5.843 9.771 10.378 1141 HA HIS 134 HA HIS 134 -7.214 9.897 12.980 1142 HB2 HIS 134 2HB HIS 134 -5.500 8.100 13.173 1143 HB3 HIS 134 3HB HIS 134 -4.244 9.221 12.651 1144 HD1 HIS 134 HD1 HIS 134 -3.107 10.504 14.455 1145 HD2 HIS 134 HD2 HIS 134 -6.719 8.916 15.739 1146 HE1 HIS 134 HE1 HIS 134 -3.226 10.998 16.912 1147 HE2 HIS 134 HE2 HIS 134 -5.516 10.236 17.593 Start of MODEL 2 1 H1 MET 1 1H MET 1 2.464 16.649 2.340 2 H2 MET 1 2H MET 1 1.135 15.617 2.464 3 H3 MET 1 3H MET 1 0.896 17.273 2.224 4 HA MET 1 HA MET 1 0.531 16.013 0.202 5 HB2 MET 1 2HB MET 1 3.025 17.780 0.165 6 HB3 MET 1 3HB MET 1 2.103 17.331 -1.266 7 HG2 MET 1 2HG MET 1 0.160 18.548 -0.421 8 HG3 MET 1 3HG MET 1 1.028 18.946 1.060 9 HE1 MET 1 1HE MET 1 3.931 19.752 0.105 10 HE2 MET 1 2HE MET 1 2.983 20.749 1.213 11 HE3 MET 1 3HE MET 1 3.735 21.476 -0.208 12 H GLY 2 H GLY 2 1.273 14.447 -1.274 13 HA2 GLY 2 2HA GLY 2 2.628 12.684 -2.033 14 HA3 GLY 2 3HA GLY 2 3.763 12.982 -0.718 15 H THR 3 H THR 3 1.833 10.626 -1.743 16 HA THR 3 HA THR 3 0.849 9.823 0.931 17 HB THR 3 HB THR 3 -0.814 9.797 -1.638 18 HG1 THR 3 HG1 THR 3 -0.555 11.647 0.446 19 HG21 THR 3 1HG2 THR 3 -1.437 7.973 -0.102 20 HG22 THR 3 2HG2 THR 3 -2.695 9.209 -0.157 21 HG23 THR 3 3HG2 THR 3 -1.595 9.134 1.219 22 H VAL 4 H VAL 4 1.367 7.733 1.355 23 HA VAL 4 HA VAL 4 2.386 6.019 -0.846 24 HB VAL 4 HB VAL 4 3.152 5.960 2.118 25 HG11 VAL 4 1HG1 VAL 4 4.975 4.449 1.410 26 HG12 VAL 4 2HG1 VAL 4 4.365 4.476 -0.246 27 HG13 VAL 4 3HG1 VAL 4 3.393 3.759 1.040 28 HG21 VAL 4 1HG2 VAL 4 5.310 6.948 1.415 29 HG22 VAL 4 2HG2 VAL 4 3.963 8.028 1.053 30 HG23 VAL 4 3HG2 VAL 4 4.712 7.089 -0.241 31 H VAL 5 H VAL 5 0.810 4.622 -1.370 32 HA VAL 5 HA VAL 5 -0.917 3.353 0.639 33 HB VAL 5 HB VAL 5 -1.008 3.222 -2.423 34 HG11 VAL 5 1HG1 VAL 5 -3.266 2.244 -2.157 35 HG12 VAL 5 2HG1 VAL 5 -3.059 2.233 -0.404 36 HG13 VAL 5 3HG1 VAL 5 -2.031 1.219 -1.419 37 HG21 VAL 5 1HG2 VAL 5 -1.485 5.500 -1.589 38 HG22 VAL 5 2HG2 VAL 5 -2.743 4.861 -0.527 39 HG23 VAL 5 3HG2 VAL 5 -2.934 4.763 -2.279 40 H ILE 6 H ILE 6 -0.121 1.501 1.535 41 HA ILE 6 HA ILE 6 1.875 -0.135 0.081 42 HB ILE 6 HB ILE 6 1.146 -0.082 3.052 43 HG12 ILE 6 2HG1 ILE 6 2.411 1.918 2.378 44 HG13 ILE 6 3HG1 ILE 6 3.438 0.878 3.357 45 HG21 ILE 6 1HG2 ILE 6 3.091 -1.594 3.408 46 HG22 ILE 6 2HG2 ILE 6 3.292 -1.745 1.662 47 HG23 ILE 6 3HG2 ILE 6 1.831 -2.359 2.437 48 HD11 ILE 6 1HD1 ILE 6 3.517 1.147 0.350 49 HD12 ILE 6 2HD1 ILE 6 4.538 0.064 1.302 50 HD13 ILE 6 3HD1 ILE 6 4.673 1.811 1.502 51 H VAL 7 H VAL 7 0.871 -1.631 -1.101 52 HA VAL 7 HA VAL 7 -1.458 -3.122 -0.065 53 HB VAL 7 HB VAL 7 -0.382 -2.938 -2.928 54 HG11 VAL 7 1HG1 VAL 7 -2.488 -4.054 -3.587 55 HG12 VAL 7 2HG1 VAL 7 -2.934 -4.228 -1.889 56 HG13 VAL 7 3HG1 VAL 7 -1.523 -5.077 -2.520 57 HG21 VAL 7 1HG2 VAL 7 -1.331 -0.783 -2.184 58 HG22 VAL 7 2HG2 VAL 7 -2.825 -1.591 -1.704 59 HG23 VAL 7 3HG2 VAL 7 -2.363 -1.534 -3.406 60 H VAL 8 H VAL 8 -0.971 -5.023 0.812 61 HA VAL 8 HA VAL 8 1.484 -6.502 0.075 62 HB VAL 8 HB VAL 8 -0.155 -6.560 2.665 63 HG11 VAL 8 1HG1 VAL 8 0.798 -8.781 2.230 64 HG12 VAL 8 2HG1 VAL 8 1.624 -8.019 3.588 65 HG13 VAL 8 3HG1 VAL 8 2.400 -8.074 2.005 66 HG21 VAL 8 1HG2 VAL 8 1.153 -4.484 2.439 67 HG22 VAL 8 2HG2 VAL 8 2.621 -5.420 2.154 68 HG23 VAL 8 3HG2 VAL 8 1.817 -5.498 3.723 69 H SER 9 H SER 9 0.917 -8.029 -1.414 70 HA SER 9 HA SER 9 -0.993 -10.083 -0.568 71 HB2 SER 9 2HB SER 9 -1.058 -8.890 -3.377 72 HB3 SER 9 3HB SER 9 -1.988 -10.283 -2.836 73 HG SER 9 HG SER 9 -2.733 -8.646 -1.141 74 H ARG 10 H ARG 10 0.206 -11.788 -0.383 75 HA ARG 10 HA ARG 10 2.747 -12.311 -1.570 76 HB2 ARG 10 2HB ARG 10 1.874 -13.058 0.674 77 HB3 ARG 10 3HB ARG 10 0.818 -14.188 -0.151 78 HG2 ARG 10 2HG ARG 10 2.862 -15.397 -0.975 79 HG3 ARG 10 3HG ARG 10 3.846 -14.288 -0.007 80 HD2 ARG 10 2HD ARG 10 2.394 -14.995 2.005 81 HD3 ARG 10 3HD ARG 10 1.794 -16.298 0.977 82 HE ARG 10 HE ARG 10 4.617 -16.359 1.021 83 HH11 ARG 10 1HH1 ARG 10 1.876 -16.995 3.148 84 HH12 ARG 10 2HH1 ARG 10 2.736 -18.154 4.109 85 HH21 ARG 10 1HH2 ARG 10 5.739 -17.865 2.331 86 HH22 ARG 10 2HH2 ARG 10 4.919 -18.646 3.646 87 H ASP 11 H ASP 11 -0.481 -12.883 -2.617 88 HA ASP 11 HA ASP 11 0.272 -14.745 -4.758 89 HB2 ASP 11 2HB ASP 11 -1.889 -15.047 -3.492 90 HB3 ASP 11 3HB ASP 11 -2.437 -13.491 -4.101 91 H GLU 12 H GLU 12 0.822 -14.005 -6.700 92 HA GLU 12 HA GLU 12 1.144 -11.202 -7.246 93 HB2 GLU 12 2HB GLU 12 2.802 -12.970 -7.827 94 HB3 GLU 12 3HB GLU 12 1.680 -13.636 -9.000 95 HG2 GLU 12 2HG GLU 12 1.878 -11.688 -10.404 96 HG3 GLU 12 3HG GLU 12 2.776 -10.814 -9.161 97 H ARG 13 H ARG 13 -1.191 -13.608 -8.079 98 HA ARG 13 HA ARG 13 -2.138 -12.422 -10.534 99 HB2 ARG 13 2HB ARG 13 -3.259 -14.674 -8.810 100 HB3 ARG 13 3HB ARG 13 -3.997 -14.148 -10.316 101 HG2 ARG 13 2HG ARG 13 -2.729 -16.135 -10.762 102 HG3 ARG 13 3HG ARG 13 -1.898 -14.779 -11.523 103 HD2 ARG 13 2HD ARG 13 -0.253 -16.247 -10.516 104 HD3 ARG 13 3HD ARG 13 -0.295 -14.744 -9.595 105 HE ARG 13 HE ARG 13 -1.868 -16.119 -8.034 106 HH11 ARG 13 1HH1 ARG 13 0.954 -17.434 -9.703 107 HH12 ARG 13 2HH1 ARG 13 1.239 -18.654 -8.504 108 HH21 ARG 13 1HH2 ARG 13 -1.470 -17.768 -6.480 109 HH22 ARG 13 2HH2 ARG 13 -0.121 -18.844 -6.695 110 H ILE 14 H ILE 14 -2.868 -12.121 -7.127 111 HA ILE 14 HA ILE 14 -5.252 -10.526 -7.473 112 HB ILE 14 HB ILE 14 -3.387 -10.737 -5.056 113 HG12 ILE 14 2HG1 ILE 14 -6.014 -12.198 -5.631 114 HG13 ILE 14 3HG1 ILE 14 -4.412 -12.924 -5.661 115 HG21 ILE 14 1HG2 ILE 14 -4.744 -8.670 -4.981 116 HG22 ILE 14 2HG2 ILE 14 -5.248 -9.801 -3.727 117 HG23 ILE 14 3HG2 ILE 14 -6.217 -9.618 -5.190 118 HD11 ILE 14 1HD1 ILE 14 -5.511 -13.528 -3.634 119 HD12 ILE 14 2HD1 ILE 14 -5.854 -11.845 -3.243 120 HD13 ILE 14 3HD1 ILE 14 -4.191 -12.433 -3.245 121 H LEU 15 H LEU 15 -1.767 -9.874 -6.992 122 HA LEU 15 HA LEU 15 -1.796 -7.104 -6.641 123 HB2 LEU 15 2HB LEU 15 0.320 -8.884 -7.888 124 HB3 LEU 15 3HB LEU 15 0.589 -7.180 -7.563 125 HG LEU 15 HG LEU 15 0.008 -9.289 -5.445 126 HD11 LEU 15 1HD1 LEU 15 2.367 -9.001 -4.810 127 HD12 LEU 15 2HD1 LEU 15 2.612 -7.906 -6.172 128 HD13 LEU 15 3HD1 LEU 15 2.208 -9.601 -6.461 129 HD21 LEU 15 1HD2 LEU 15 -0.830 -7.072 -4.774 130 HD22 LEU 15 2HD2 LEU 15 0.741 -6.357 -5.115 131 HD23 LEU 15 3HD2 LEU 15 0.574 -7.532 -3.814 132 H GLU 16 H GLU 16 -1.648 -8.955 -9.680 133 HA GLU 16 HA GLU 16 -1.194 -6.760 -11.428 134 HB2 GLU 16 2HB GLU 16 -1.809 -8.331 -13.245 135 HB3 GLU 16 3HB GLU 16 -0.691 -9.060 -12.098 136 HG2 GLU 16 2HG GLU 16 -2.592 -10.244 -11.021 137 HG3 GLU 16 3HG GLU 16 -3.681 -9.548 -12.217 138 H GLU 17 H GLU 17 -4.150 -8.217 -10.154 139 HA GLU 17 HA GLU 17 -6.055 -6.771 -11.706 140 HB2 GLU 17 2HB GLU 17 -6.204 -8.111 -8.976 141 HB3 GLU 17 3HB GLU 17 -7.605 -7.364 -9.738 142 HG2 GLU 17 2HG GLU 17 -5.999 -9.623 -10.963 143 HG3 GLU 17 3HG GLU 17 -7.478 -9.840 -10.027 144 H LEU 18 H LEU 18 -4.629 -6.253 -8.503 145 HA LEU 18 HA LEU 18 -6.022 -3.889 -7.808 146 HB2 LEU 18 2HB LEU 18 -3.371 -4.987 -6.788 147 HB3 LEU 18 3HB LEU 18 -4.300 -3.719 -6.004 148 HG LEU 18 HG LEU 18 -5.188 -6.614 -6.353 149 HD11 LEU 18 1HD1 LEU 18 -3.430 -6.378 -4.661 150 HD12 LEU 18 2HD1 LEU 18 -4.972 -6.812 -3.927 151 HD13 LEU 18 3HD1 LEU 18 -4.384 -5.150 -3.824 152 HD21 LEU 18 1HD2 LEU 18 -7.114 -5.109 -6.468 153 HD22 LEU 18 2HD2 LEU 18 -6.634 -4.346 -4.951 154 HD23 LEU 18 3HD2 LEU 18 -7.132 -6.039 -4.970 155 H LEU 19 H LEU 19 -3.053 -4.493 -9.541 156 HA LEU 19 HA LEU 19 -1.979 -1.884 -9.674 157 HB2 LEU 19 2HB LEU 19 -0.649 -3.863 -10.227 158 HB3 LEU 19 3HB LEU 19 -1.734 -4.267 -11.547 159 HG LEU 19 HG LEU 19 -1.012 -2.139 -12.715 160 HD11 LEU 19 1HD1 LEU 19 -0.236 -0.829 -10.818 161 HD12 LEU 19 2HD1 LEU 19 1.061 -1.017 -11.994 162 HD13 LEU 19 3HD1 LEU 19 1.069 -1.978 -10.513 163 HD21 LEU 19 1HD2 LEU 19 -0.077 -4.300 -13.345 164 HD22 LEU 19 2HD2 LEU 19 1.183 -4.138 -12.117 165 HD23 LEU 19 3HD2 LEU 19 1.138 -3.028 -13.488 166 H GLU 20 H GLU 20 -4.071 -3.756 -11.879 167 HA GLU 20 HA GLU 20 -4.463 -1.871 -13.879 168 HB2 GLU 20 2HB GLU 20 -6.269 -4.114 -12.900 169 HB3 GLU 20 3HB GLU 20 -6.675 -3.125 -14.297 170 HG2 GLU 20 2HG GLU 20 -4.225 -4.888 -14.022 171 HG3 GLU 20 3HG GLU 20 -5.670 -5.250 -14.968 172 H VAL 21 H VAL 21 -6.187 -2.259 -10.794 173 HA VAL 21 HA VAL 21 -8.382 -0.580 -11.313 174 HB VAL 21 HB VAL 21 -7.073 -1.154 -8.613 175 HG11 VAL 21 1HG1 VAL 21 -9.271 -0.580 -7.610 176 HG12 VAL 21 2HG1 VAL 21 -9.875 -0.099 -9.198 177 HG13 VAL 21 3HG1 VAL 21 -8.561 0.805 -8.445 178 HG21 VAL 21 1HG2 VAL 21 -8.777 -2.916 -8.377 179 HG22 VAL 21 2HG2 VAL 21 -7.761 -3.203 -9.786 180 HG23 VAL 21 3HG2 VAL 21 -9.388 -2.560 -9.996 181 H VAL 22 H VAL 22 -5.137 0.227 -9.978 182 HA VAL 22 HA VAL 22 -5.637 2.974 -9.447 183 HB VAL 22 HB VAL 22 -2.937 1.888 -10.390 184 HG11 VAL 22 1HG1 VAL 22 -3.625 4.287 -8.636 185 HG12 VAL 22 2HG1 VAL 22 -3.073 4.346 -10.310 186 HG13 VAL 22 3HG1 VAL 22 -1.994 3.756 -9.048 187 HG21 VAL 22 1HG2 VAL 22 -3.988 1.903 -7.540 188 HG22 VAL 22 2HG2 VAL 22 -2.345 1.481 -8.034 189 HG23 VAL 22 3HG2 VAL 22 -3.705 0.474 -8.537 190 H LEU 23 H LEU 23 -4.526 1.235 -12.317 191 HA LEU 23 HA LEU 23 -3.823 3.495 -13.891 192 HB2 LEU 23 2HB LEU 23 -4.460 0.658 -14.780 193 HB3 LEU 23 3HB LEU 23 -3.590 1.860 -15.726 194 HG LEU 23 HG LEU 23 -2.594 0.721 -13.081 195 HD11 LEU 23 1HD1 LEU 23 -1.729 -0.045 -15.881 196 HD12 LEU 23 2HD1 LEU 23 -2.662 -1.042 -14.763 197 HD13 LEU 23 3HD1 LEU 23 -1.000 -0.609 -14.373 198 HD21 LEU 23 1HD2 LEU 23 -0.426 1.735 -13.682 199 HD22 LEU 23 2HD2 LEU 23 -1.689 2.950 -13.505 200 HD23 LEU 23 3HD2 LEU 23 -1.158 2.461 -15.116 201 H LYS 24 H LYS 24 -6.850 1.662 -13.530 202 HA LYS 24 HA LYS 24 -8.208 2.942 -15.750 203 HB2 LYS 24 2HB LYS 24 -9.642 1.615 -13.403 204 HB3 LYS 24 3HB LYS 24 -10.221 1.825 -15.046 205 HG2 LYS 24 2HG LYS 24 -8.124 -0.116 -14.079 206 HG3 LYS 24 3HG LYS 24 -9.751 -0.501 -14.623 207 HD2 LYS 24 2HD LYS 24 -9.143 0.187 -16.925 208 HD3 LYS 24 3HD LYS 24 -7.514 0.606 -16.373 209 HE2 LYS 24 2HE LYS 24 -7.151 -1.758 -15.702 210 HE3 LYS 24 3HE LYS 24 -8.764 -2.168 -16.289 211 HZ1 LYS 24 1HZ LYS 24 -6.953 -2.698 -17.846 212 HZ2 LYS 24 2HZ LYS 24 -6.606 -1.047 -17.989 213 HZ3 LYS 24 3HZ LYS 24 -8.105 -1.646 -18.503 214 H SER 25 H SER 25 -7.953 3.368 -12.246 215 HA SER 25 HA SER 25 -10.038 5.330 -11.993 216 HB2 SER 25 2HB SER 25 -9.393 3.700 -10.176 217 HB3 SER 25 3HB SER 25 -7.881 4.581 -9.962 218 HG SER 25 HG SER 25 -9.016 6.335 -9.226 219 H ASP 26 H ASP 26 -6.602 5.650 -11.038 220 HA ASP 26 HA ASP 26 -6.454 8.336 -12.275 221 HB2 ASP 26 2HB ASP 26 -5.462 7.541 -9.500 222 HB3 ASP 26 3HB ASP 26 -5.067 9.057 -10.296 223 HA PRO 27 HA PRO 27 -2.839 5.796 -13.812 224 HB2 PRO 27 2HB PRO 27 -2.695 6.892 -16.309 225 HB3 PRO 27 3HB PRO 27 -3.922 5.676 -15.893 226 HG2 PRO 27 2HG PRO 27 -4.216 8.669 -16.001 227 HG3 PRO 27 3HG PRO 27 -5.285 7.414 -16.673 228 HD2 PRO 27 2HD PRO 27 -5.807 8.640 -14.295 229 HD3 PRO 27 3HD PRO 27 -6.264 6.949 -14.608 230 H ASN 28 H ASN 28 -3.267 9.044 -13.027 231 HA ASN 28 HA ASN 28 -0.642 10.055 -13.735 232 HB2 ASN 28 2HB ASN 28 -2.847 11.230 -11.979 233 HB3 ASN 28 3HB ASN 28 -1.372 12.081 -12.429 234 HD21 ASN 28 1HD2 ASN 28 -4.434 10.873 -13.579 235 HD22 ASN 28 2HD2 ASN 28 -4.436 11.732 -15.075 236 H VAL 29 H VAL 29 -1.995 8.259 -11.156 237 HA VAL 29 HA VAL 29 -0.105 8.978 -9.088 238 HB VAL 29 HB VAL 29 -2.045 6.621 -9.310 239 HG11 VAL 29 1HG1 VAL 29 -0.239 6.091 -7.712 240 HG12 VAL 29 2HG1 VAL 29 -1.772 6.325 -6.873 241 HG13 VAL 29 3HG1 VAL 29 -0.549 7.597 -6.844 242 HG21 VAL 29 1HG2 VAL 29 -3.194 8.789 -9.317 243 HG22 VAL 29 2HG2 VAL 29 -2.347 9.267 -7.848 244 HG23 VAL 29 3HG2 VAL 29 -3.502 7.936 -7.804 245 H LYS 30 H LYS 30 1.846 8.021 -8.705 246 HA LYS 30 HA LYS 30 3.054 6.250 -10.603 247 HB2 LYS 30 2HB LYS 30 4.371 7.929 -9.351 248 HB3 LYS 30 3HB LYS 30 4.000 7.119 -7.833 249 HG2 LYS 30 2HG LYS 30 6.271 6.585 -8.537 250 HG3 LYS 30 3HG LYS 30 5.279 5.128 -8.590 251 HD2 LYS 30 2HD LYS 30 5.058 5.368 -11.049 252 HD3 LYS 30 3HD LYS 30 6.023 6.846 -10.996 253 HE2 LYS 30 2HE LYS 30 7.011 4.091 -10.181 254 HE3 LYS 30 3HE LYS 30 7.331 4.866 -11.731 255 HZ1 LYS 30 1HZ LYS 30 8.504 6.626 -10.574 256 HZ2 LYS 30 2HZ LYS 30 9.178 5.121 -10.209 257 HZ3 LYS 30 3HZ LYS 30 8.192 5.896 -9.080 258 H THR 31 H THR 31 3.298 4.052 -10.499 259 HA THR 31 HA THR 31 2.519 2.582 -8.042 260 HB THR 31 HB THR 31 1.702 0.740 -9.650 261 HG1 THR 31 HG1 THR 31 1.613 2.901 -11.516 262 HG21 THR 31 1HG2 THR 31 0.092 2.127 -8.392 263 HG22 THR 31 2HG2 THR 31 -0.520 1.734 -9.998 264 HG23 THR 31 3HG2 THR 31 0.132 3.341 -9.678 265 H VAL 32 H VAL 32 3.929 1.039 -7.425 266 HA VAL 32 HA VAL 32 6.038 0.053 -9.240 267 HB VAL 32 HB VAL 32 6.663 0.986 -6.378 268 HG11 VAL 32 1HG1 VAL 32 9.032 0.613 -6.998 269 HG12 VAL 32 2HG1 VAL 32 8.530 0.038 -8.588 270 HG13 VAL 32 3HG1 VAL 32 8.084 -0.871 -7.144 271 HG21 VAL 32 1HG2 VAL 32 7.403 2.412 -8.960 272 HG22 VAL 32 2HG2 VAL 32 7.936 2.869 -7.340 273 HG23 VAL 32 3HG2 VAL 32 6.229 2.971 -7.769 274 H ARG 33 H ARG 33 5.998 -2.150 -9.115 275 HA ARG 33 HA ARG 33 4.950 -3.436 -6.651 276 HB2 ARG 33 2HB ARG 33 3.529 -3.904 -8.611 277 HB3 ARG 33 3HB ARG 33 4.918 -4.472 -9.526 278 HG2 ARG 33 2HG ARG 33 5.162 -6.407 -8.058 279 HG3 ARG 33 3HG ARG 33 3.886 -5.803 -6.997 280 HD2 ARG 33 2HD ARG 33 3.046 -7.601 -8.447 281 HD3 ARG 33 3HD ARG 33 2.237 -6.076 -8.806 282 HE ARG 33 HE ARG 33 3.422 -5.929 -10.848 283 HH11 ARG 33 1HH1 ARG 33 4.071 -8.962 -9.197 284 HH12 ARG 33 2HH1 ARG 33 4.673 -9.746 -10.618 285 HH21 ARG 33 1HH2 ARG 33 4.226 -6.965 -12.704 286 HH22 ARG 33 2HH2 ARG 33 4.762 -8.613 -12.608 287 H THR 34 H THR 34 6.931 -3.347 -5.623 288 HA THR 34 HA THR 34 9.026 -5.191 -6.626 289 HB THR 34 HB THR 34 9.940 -2.947 -6.777 290 HG1 THR 34 HG1 THR 34 11.241 -3.588 -4.438 291 HG21 THR 34 1HG2 THR 34 9.242 -2.553 -3.847 292 HG22 THR 34 2HG2 THR 34 8.472 -1.734 -5.207 293 HG23 THR 34 3HG2 THR 34 10.172 -1.434 -4.843 294 H ASP 35 H ASP 35 9.683 -6.751 -5.225 295 HA ASP 35 HA ASP 35 8.502 -6.950 -2.561 296 HB2 ASP 35 2HB ASP 35 9.563 -9.164 -2.427 297 HB3 ASP 35 3HB ASP 35 8.658 -8.997 -3.924 298 H ASP 36 H ASP 36 11.481 -5.901 -4.035 299 HA ASP 36 HA ASP 36 13.203 -6.010 -1.773 300 HB2 ASP 36 2HB ASP 36 13.259 -4.074 -4.139 301 HB3 ASP 36 3HB ASP 36 14.544 -4.225 -2.942 302 H LYS 37 H LYS 37 12.302 -5.227 0.053 303 HA LYS 37 HA LYS 37 10.774 -2.915 0.423 304 HB2 LYS 37 2HB LYS 37 11.311 -3.113 2.850 305 HB3 LYS 37 3HB LYS 37 10.717 -4.592 2.132 306 HG2 LYS 37 2HG LYS 37 13.680 -4.153 2.572 307 HG3 LYS 37 3HG LYS 37 12.631 -4.735 3.865 308 HD2 LYS 37 2HD LYS 37 11.937 -6.621 2.258 309 HD3 LYS 37 3HD LYS 37 13.271 -6.091 1.226 310 HE2 LYS 37 2HE LYS 37 13.586 -6.986 4.108 311 HE3 LYS 37 3HE LYS 37 13.837 -8.023 2.706 312 HZ1 LYS 37 1HZ LYS 37 15.373 -5.571 3.367 313 HZ2 LYS 37 2HZ LYS 37 15.600 -6.512 1.981 314 HZ3 LYS 37 3HZ LYS 37 15.917 -7.166 3.511 315 H GLU 38 H GLU 38 14.183 -3.267 0.058 316 HA GLU 38 HA GLU 38 15.106 -0.742 0.942 317 HB2 GLU 38 2HB GLU 38 16.126 -2.618 -1.245 318 HB3 GLU 38 3HB GLU 38 16.981 -1.155 -0.769 319 HG2 GLU 38 2HG GLU 38 17.953 -3.176 0.246 320 HG3 GLU 38 3HG GLU 38 17.368 -2.043 1.457 321 H LYS 39 H LYS 39 14.045 -1.923 -2.240 322 HA LYS 39 HA LYS 39 14.353 0.492 -3.682 323 HB2 LYS 39 2HB LYS 39 14.356 -1.673 -4.807 324 HB3 LYS 39 3HB LYS 39 12.716 -2.012 -4.271 325 HG2 LYS 39 2HG LYS 39 12.795 -1.407 -6.656 326 HG3 LYS 39 3HG LYS 39 11.839 -0.247 -5.729 327 HD2 LYS 39 2HD LYS 39 13.851 1.274 -5.680 328 HD3 LYS 39 3HD LYS 39 14.689 0.133 -6.737 329 HE2 LYS 39 2HE LYS 39 13.048 0.506 -8.499 330 HE3 LYS 39 3HE LYS 39 12.088 1.538 -7.433 331 HZ1 LYS 39 1HZ LYS 39 13.942 3.090 -7.343 332 HZ2 LYS 39 2HZ LYS 39 13.429 2.847 -8.932 333 HZ3 LYS 39 3HZ LYS 39 14.845 2.105 -8.384 334 H VAL 40 H VAL 40 11.615 -0.887 -1.894 335 HA VAL 40 HA VAL 40 9.533 0.779 -2.715 336 HB VAL 40 HB VAL 40 9.989 -0.312 0.106 337 HG11 VAL 40 1HG1 VAL 40 7.522 -0.098 0.368 338 HG12 VAL 40 2HG1 VAL 40 7.434 0.699 -1.203 339 HG13 VAL 40 3HG1 VAL 40 8.308 1.465 0.124 340 HG21 VAL 40 1HG2 VAL 40 8.517 -2.193 -0.550 341 HG22 VAL 40 2HG2 VAL 40 9.971 -2.138 -1.544 342 HG23 VAL 40 3HG2 VAL 40 8.439 -1.563 -2.199 343 H LYS 41 H LYS 41 11.875 1.223 -0.053 344 HA LYS 41 HA LYS 41 10.937 3.688 0.951 345 HB2 LYS 41 2HB LYS 41 13.754 2.542 1.042 346 HB3 LYS 41 3HB LYS 41 13.171 3.879 2.034 347 HG2 LYS 41 2HG LYS 41 11.559 2.370 3.134 348 HG3 LYS 41 3HG LYS 41 12.137 1.028 2.133 349 HD2 LYS 41 2HD LYS 41 14.434 1.368 3.089 350 HD3 LYS 41 3HD LYS 41 13.770 2.609 4.155 351 HE2 LYS 41 2HE LYS 41 12.294 0.902 5.183 352 HE3 LYS 41 3HE LYS 41 13.019 -0.328 4.137 353 HZ1 LYS 41 1HZ LYS 41 14.081 -0.360 6.264 354 HZ2 LYS 41 2HZ LYS 41 14.415 1.292 6.196 355 HZ3 LYS 41 3HZ LYS 41 15.187 0.227 5.132 356 H GLU 42 H GLU 42 13.376 2.924 -1.495 357 HA GLU 42 HA GLU 42 14.371 5.502 -2.007 358 HB2 GLU 42 2HB GLU 42 14.052 3.198 -3.991 359 HB3 GLU 42 3HB GLU 42 15.128 4.579 -4.180 360 HG2 GLU 42 2HG GLU 42 15.342 2.387 -2.101 361 HG3 GLU 42 3HG GLU 42 16.394 2.623 -3.493 362 H GLU 43 H GLU 43 11.589 3.750 -3.373 363 HA GLU 43 HA GLU 43 10.791 5.796 -5.206 364 HB2 GLU 43 2HB GLU 43 9.338 3.350 -4.134 365 HB3 GLU 43 3HB GLU 43 8.662 4.416 -5.360 366 HG2 GLU 43 2HG GLU 43 11.201 2.790 -5.623 367 HG3 GLU 43 3HG GLU 43 9.650 2.441 -6.385 368 H ILE 44 H ILE 44 9.930 5.088 -1.848 369 HA ILE 44 HA ILE 44 7.771 6.931 -1.571 370 HB ILE 44 HB ILE 44 9.730 5.828 0.501 371 HG12 ILE 44 2HG1 ILE 44 6.833 5.027 -0.060 372 HG13 ILE 44 3HG1 ILE 44 8.249 4.116 -0.569 373 HG21 ILE 44 1HG2 ILE 44 8.827 7.945 1.357 374 HG22 ILE 44 2HG2 ILE 44 8.161 6.588 2.265 375 HG23 ILE 44 3HG2 ILE 44 7.179 7.395 1.041 376 HD11 ILE 44 1HD1 ILE 44 7.395 4.625 2.282 377 HD12 ILE 44 2HD1 ILE 44 8.838 3.738 1.785 378 HD13 ILE 44 3HD1 ILE 44 7.240 3.116 1.381 379 H GLU 45 H GLU 45 11.276 7.171 -1.248 380 HA GLU 45 HA GLU 45 11.517 9.805 -0.276 381 HB2 GLU 45 2HB GLU 45 13.269 7.759 -0.671 382 HB3 GLU 45 3HB GLU 45 13.640 8.678 -2.115 383 HG2 GLU 45 2HG GLU 45 13.861 9.632 0.749 384 HG3 GLU 45 3HG GLU 45 15.192 9.192 -0.311 385 H LYS 46 H LYS 46 11.378 8.449 -3.574 386 HA LYS 46 HA LYS 46 11.791 10.825 -5.048 387 HB2 LYS 46 2HB LYS 46 10.134 8.414 -5.924 388 HB3 LYS 46 3HB LYS 46 10.836 9.631 -6.981 389 HG2 LYS 46 2HG LYS 46 12.298 7.530 -5.374 390 HG3 LYS 46 3HG LYS 46 12.149 7.613 -7.121 391 HD2 LYS 46 2HD LYS 46 13.665 9.601 -5.388 392 HD3 LYS 46 3HD LYS 46 14.394 8.292 -6.316 393 HE2 LYS 46 2HE LYS 46 13.678 9.314 -8.412 394 HE3 LYS 46 3HE LYS 46 12.805 10.577 -7.536 395 HZ1 LYS 46 1HZ LYS 46 15.739 10.133 -7.469 396 HZ2 LYS 46 2HZ LYS 46 14.907 11.328 -6.614 397 HZ3 LYS 46 3HZ LYS 46 14.943 11.370 -8.302 398 H ALA 47 H ALA 47 8.790 9.141 -4.105 399 HA ALA 47 HA ALA 47 6.935 10.939 -5.252 400 HB1 ALA 47 1HB ALA 47 5.252 9.749 -3.917 401 HB2 ALA 47 2HB ALA 47 6.527 9.013 -2.939 402 HB3 ALA 47 3HB ALA 47 6.386 8.616 -4.652 403 H ARG 48 H ARG 48 8.560 10.923 -2.138 404 HA ARG 48 HA ARG 48 7.112 12.940 -0.789 405 HB2 ARG 48 2HB ARG 48 8.657 11.522 0.429 406 HB3 ARG 48 3HB ARG 48 10.006 12.001 -0.590 407 HG2 ARG 48 2HG ARG 48 10.181 13.033 1.620 408 HG3 ARG 48 3HG ARG 48 9.954 14.268 0.383 409 HD2 ARG 48 2HD ARG 48 7.545 14.409 1.000 410 HD3 ARG 48 3HD ARG 48 7.812 13.199 2.256 411 HE ARG 48 HE ARG 48 9.148 14.764 3.453 412 HH11 ARG 48 1HH1 ARG 48 7.444 16.229 0.749 413 HH12 ARG 48 2HH1 ARG 48 7.586 17.839 1.381 414 HH21 ARG 48 1HH2 ARG 48 9.329 16.866 4.257 415 HH22 ARG 48 2HH2 ARG 48 8.656 18.197 3.367 416 H LYS 49 H LYS 49 9.913 13.087 -2.988 417 HA LYS 49 HA LYS 49 10.273 15.944 -2.778 418 HB2 LYS 49 2HB LYS 49 11.441 13.893 -4.703 419 HB3 LYS 49 3HB LYS 49 11.956 15.577 -4.613 420 HG2 LYS 49 2HG LYS 49 12.134 13.588 -2.329 421 HG3 LYS 49 3HG LYS 49 13.469 14.035 -3.395 422 HD2 LYS 49 2HD LYS 49 13.389 16.349 -2.602 423 HD3 LYS 49 3HD LYS 49 11.961 16.001 -1.621 424 HE2 LYS 49 2HE LYS 49 14.113 16.093 -0.325 425 HE3 LYS 49 3HE LYS 49 13.236 14.570 -0.157 426 HZ1 LYS 49 1HZ LYS 49 15.421 14.927 -2.121 427 HZ2 LYS 49 2HZ LYS 49 14.737 13.480 -1.554 428 HZ3 LYS 49 3HZ LYS 49 15.694 14.422 -0.535 429 H GLN 50 H GLN 50 8.497 13.811 -4.882 430 HA GLN 50 HA GLN 50 7.864 15.826 -6.891 431 HB2 GLN 50 2HB GLN 50 6.701 13.040 -6.432 432 HB3 GLN 50 3HB GLN 50 6.440 14.040 -7.862 433 HG2 GLN 50 2HG GLN 50 8.770 13.856 -8.501 434 HG3 GLN 50 3HG GLN 50 9.173 13.052 -6.987 435 HE21 GLN 50 1HE2 GLN 50 7.784 12.655 -10.154 436 HE22 GLN 50 2HE2 GLN 50 7.644 10.936 -10.089 437 H GLY 51 H GLY 51 6.545 14.629 -3.902 438 HA2 GLY 51 2HA GLY 51 4.781 15.287 -2.598 439 HA3 GLY 51 3HA GLY 51 4.528 16.638 -3.692 440 H ARG 52 H ARG 52 4.533 13.359 -4.867 441 HA ARG 52 HA ARG 52 1.677 13.614 -5.613 442 HB2 ARG 52 2HB ARG 52 2.155 12.130 -7.486 443 HB3 ARG 52 3HB ARG 52 3.310 13.456 -7.504 444 HG2 ARG 52 2HG ARG 52 5.090 12.040 -6.706 445 HG3 ARG 52 3HG ARG 52 3.967 10.729 -6.334 446 HD2 ARG 52 2HD ARG 52 5.244 10.292 -8.400 447 HD3 ARG 52 3HD ARG 52 3.512 10.397 -8.714 448 HE ARG 52 HE ARG 52 5.418 12.605 -9.269 449 HH11 ARG 52 1HH1 ARG 52 2.655 10.667 -10.263 450 HH12 ARG 52 2HH1 ARG 52 2.412 11.547 -11.734 451 HH21 ARG 52 1HH2 ARG 52 5.076 13.759 -11.197 452 HH22 ARG 52 2HH2 ARG 52 3.783 13.300 -12.260 453 HA PRO 53 HA PRO 53 0.836 9.697 -3.398 454 HB2 PRO 53 2HB PRO 53 -1.140 8.605 -4.982 455 HB3 PRO 53 3HB PRO 53 -1.433 9.945 -3.855 456 HG2 PRO 53 2HG PRO 53 -0.964 10.060 -6.819 457 HG3 PRO 53 3HG PRO 53 -2.178 10.917 -5.840 458 HD2 PRO 53 2HD PRO 53 0.106 12.127 -6.654 459 HD3 PRO 53 3HD PRO 53 -0.650 12.510 -5.092 460 H ILE 54 H ILE 54 1.144 7.450 -3.642 461 HA ILE 54 HA ILE 54 2.172 6.290 -6.084 462 HB ILE 54 HB ILE 54 4.209 7.369 -5.108 463 HG12 ILE 54 2HG1 ILE 54 4.365 4.328 -4.863 464 HG13 ILE 54 3HG1 ILE 54 4.371 5.196 -6.393 465 HG21 ILE 54 1HG2 ILE 54 3.606 7.343 -2.716 466 HG22 ILE 54 2HG2 ILE 54 5.190 6.611 -2.970 467 HG23 ILE 54 3HG2 ILE 54 3.783 5.586 -2.679 468 HD11 ILE 54 1HD1 ILE 54 6.468 6.292 -5.758 469 HD12 ILE 54 2HD1 ILE 54 6.601 4.535 -5.760 470 HD13 ILE 54 3HD1 ILE 54 6.465 5.401 -4.232 471 H VAL 55 H VAL 55 1.802 4.078 -6.076 472 HA VAL 55 HA VAL 55 0.731 2.841 -3.604 473 HB VAL 55 HB VAL 55 -0.128 2.129 -6.459 474 HG11 VAL 55 1HG1 VAL 55 -1.947 0.873 -5.335 475 HG12 VAL 55 2HG1 VAL 55 -1.279 1.308 -3.762 476 HG13 VAL 55 3HG1 VAL 55 -0.354 0.279 -4.859 477 HG21 VAL 55 1HG2 VAL 55 -0.922 4.410 -5.944 478 HG22 VAL 55 2HG2 VAL 55 -1.663 3.832 -4.452 479 HG23 VAL 55 3HG2 VAL 55 -2.272 3.275 -6.012 480 H ILE 56 H ILE 56 2.149 1.401 -2.908 481 HA ILE 56 HA ILE 56 4.038 0.066 -4.727 482 HB ILE 56 HB ILE 56 4.056 0.118 -1.666 483 HG12 ILE 56 2HG1 ILE 56 4.474 2.405 -2.666 484 HG13 ILE 56 3HG1 ILE 56 5.843 1.777 -1.761 485 HG21 ILE 56 1HG2 ILE 56 6.169 -0.836 -3.646 486 HG22 ILE 56 2HG2 ILE 56 5.177 -1.861 -2.607 487 HG23 ILE 56 3HG2 ILE 56 6.360 -0.769 -1.894 488 HD11 ILE 56 1HD1 ILE 56 5.584 1.818 -4.770 489 HD12 ILE 56 2HD1 ILE 56 6.966 1.198 -3.863 490 HD13 ILE 56 3HD1 ILE 56 6.554 2.910 -3.782 491 H PHE 57 H PHE 57 3.739 -2.044 -5.179 492 HA PHE 57 HA PHE 57 1.793 -3.669 -3.646 493 HB2 PHE 57 2HB PHE 57 2.770 -4.025 -6.517 494 HB3 PHE 57 3HB PHE 57 1.552 -4.998 -5.719 495 HD1 PHE 57 HD1 PHE 57 -0.725 -4.091 -5.322 496 HD2 PHE 57 HD2 PHE 57 2.241 -1.800 -7.398 497 HE1 PHE 57 HE1 PHE 57 -2.466 -2.569 -6.150 498 HE2 PHE 57 HE2 PHE 57 0.486 -0.288 -8.219 499 HZ PHE 57 HZ PHE 57 -1.863 -0.670 -7.595 500 H ILE 58 H ILE 58 3.011 -4.764 -2.169 501 HA ILE 58 HA ILE 58 5.636 -5.905 -2.922 502 HB ILE 58 HB ILE 58 4.454 -5.742 -0.104 503 HG12 ILE 58 2HG1 ILE 58 6.443 -3.765 -1.322 504 HG13 ILE 58 3HG1 ILE 58 4.722 -3.439 -1.169 505 HG21 ILE 58 1HG2 ILE 58 7.321 -6.164 -1.071 506 HG22 ILE 58 2HG2 ILE 58 6.265 -7.406 -0.392 507 HG23 ILE 58 3HG2 ILE 58 6.813 -6.068 0.618 508 HD11 ILE 58 1HD1 ILE 58 5.988 -2.381 0.593 509 HD12 ILE 58 2HD1 ILE 58 6.624 -3.940 1.113 510 HD13 ILE 58 3HD1 ILE 58 4.897 -3.596 1.255 511 H ARG 59 H ARG 59 5.719 -8.047 -3.331 512 HA ARG 59 HA ARG 59 3.424 -9.750 -2.682 513 HB2 ARG 59 2HB ARG 59 4.436 -9.722 -5.014 514 HB3 ARG 59 3HB ARG 59 5.864 -10.503 -4.342 515 HG2 ARG 59 2HG ARG 59 4.513 -12.424 -3.633 516 HG3 ARG 59 3HG ARG 59 3.047 -11.630 -4.214 517 HD2 ARG 59 2HD ARG 59 3.786 -13.320 -5.798 518 HD3 ARG 59 3HD ARG 59 3.922 -11.712 -6.515 519 HE ARG 59 HE ARG 59 6.379 -11.987 -5.670 520 HH11 ARG 59 1HH1 ARG 59 4.421 -14.455 -7.215 521 HH12 ARG 59 2HH1 ARG 59 5.787 -15.262 -7.913 522 HH21 ARG 59 1HH2 ARG 59 8.155 -13.036 -6.615 523 HH22 ARG 59 2HH2 ARG 59 7.891 -14.459 -7.572 524 H GLY 60 H GLY 60 3.490 -10.599 -0.724 525 HA2 GLY 60 2HA GLY 60 4.090 -12.116 0.891 526 HA3 GLY 60 3HA GLY 60 5.569 -12.462 0.007 527 H ALA 61 H ALA 61 4.058 -9.819 1.855 528 HA ALA 61 HA ALA 61 6.699 -9.026 2.935 529 HB1 ALA 61 1HB ALA 61 5.403 -7.237 1.830 530 HB2 ALA 61 2HB ALA 61 5.609 -6.907 3.548 531 HB3 ALA 61 3HB ALA 61 4.062 -7.504 2.945 532 H THR 62 H THR 62 7.127 -9.982 4.832 533 HA THR 62 HA THR 62 5.153 -10.788 6.778 534 HB THR 62 HB THR 62 7.369 -11.935 6.588 535 HG1 THR 62 HG1 THR 62 6.562 -12.319 8.550 536 HG21 THR 62 1HG2 THR 62 8.552 -9.388 7.766 537 HG22 THR 62 2HG2 THR 62 8.837 -9.992 6.132 538 HG23 THR 62 3HG2 THR 62 9.412 -10.911 7.524 539 H GLU 63 H GLU 63 5.521 -9.905 9.134 540 HA GLU 63 HA GLU 63 4.649 -7.313 9.412 541 HB2 GLU 63 2HB GLU 63 4.553 -8.999 11.211 542 HB3 GLU 63 3HB GLU 63 6.302 -8.923 11.396 543 HG2 GLU 63 2HG GLU 63 6.028 -6.468 11.996 544 HG3 GLU 63 3HG GLU 63 4.286 -6.746 12.034 545 H GLU 64 H GLU 64 7.993 -8.519 9.660 546 HA GLU 64 HA GLU 64 9.301 -6.195 10.460 547 HB2 GLU 64 2HB GLU 64 10.325 -8.563 8.854 548 HB3 GLU 64 3HB GLU 64 11.378 -7.325 9.530 549 HG2 GLU 64 2HG GLU 64 9.574 -9.182 11.112 550 HG3 GLU 64 3HG GLU 64 11.322 -9.322 10.949 551 H VAL 65 H VAL 65 8.490 -7.255 7.181 552 HA VAL 65 HA VAL 65 9.916 -5.198 5.806 553 HB VAL 65 HB VAL 65 7.588 -6.968 4.919 554 HG11 VAL 65 1HG1 VAL 65 9.331 -5.178 3.185 555 HG12 VAL 65 2HG1 VAL 65 7.613 -4.955 3.514 556 HG13 VAL 65 3HG1 VAL 65 8.157 -6.353 2.585 557 HG21 VAL 65 1HG2 VAL 65 9.635 -8.232 5.450 558 HG22 VAL 65 2HG2 VAL 65 10.572 -7.207 4.360 559 HG23 VAL 65 3HG2 VAL 65 9.319 -8.269 3.714 560 H VAL 66 H VAL 66 6.455 -5.629 6.682 561 HA VAL 66 HA VAL 66 5.533 -3.278 5.415 562 HB VAL 66 HB VAL 66 4.159 -4.750 7.707 563 HG11 VAL 66 1HG1 VAL 66 3.011 -2.909 5.564 564 HG12 VAL 66 2HG1 VAL 66 3.168 -2.539 7.283 565 HG13 VAL 66 3HG1 VAL 66 2.063 -3.805 6.752 566 HG21 VAL 66 1HG2 VAL 66 3.898 -5.253 4.713 567 HG22 VAL 66 2HG2 VAL 66 2.972 -6.056 5.983 568 HG23 VAL 66 3HG2 VAL 66 4.712 -6.311 5.867 569 H ARG 67 H ARG 67 5.992 -3.915 8.935 570 HA ARG 67 HA ARG 67 5.300 -1.475 10.014 571 HB2 ARG 67 2HB ARG 67 6.663 -2.057 11.992 572 HB3 ARG 67 3HB ARG 67 5.787 -3.464 11.405 573 HG2 ARG 67 2HG ARG 67 7.834 -4.334 10.360 574 HG3 ARG 67 3HG ARG 67 8.726 -2.908 10.870 575 HD2 ARG 67 2HD ARG 67 7.396 -4.766 12.862 576 HD3 ARG 67 3HD ARG 67 9.028 -5.055 12.252 577 HE ARG 67 HE ARG 67 8.483 -2.434 13.449 578 HH11 ARG 67 1HH1 ARG 67 9.940 -5.628 13.884 579 HH12 ARG 67 2HH1 ARG 67 10.906 -5.126 15.240 580 HH21 ARG 67 1HH2 ARG 67 9.792 -1.800 15.201 581 HH22 ARG 67 2HH2 ARG 67 10.820 -2.960 15.981 582 H ASP 68 H ASP 68 8.367 -2.357 8.541 583 HA ASP 68 HA ASP 68 9.859 -0.106 9.561 584 HB2 ASP 68 2HB ASP 68 10.887 -2.306 9.340 585 HB3 ASP 68 3HB ASP 68 10.540 -2.345 7.618 586 H ILE 69 H ILE 69 8.378 -1.041 6.479 587 HA ILE 69 HA ILE 69 9.308 1.207 4.948 588 HB ILE 69 HB ILE 69 7.045 -0.790 4.559 589 HG12 ILE 69 2HG1 ILE 69 9.701 -0.474 3.082 590 HG13 ILE 69 3HG1 ILE 69 9.387 -1.650 4.354 591 HG21 ILE 69 1HG2 ILE 69 6.336 1.267 3.433 592 HG22 ILE 69 2HG2 ILE 69 6.772 0.042 2.243 593 HG23 ILE 69 3HG2 ILE 69 7.885 1.365 2.591 594 HD11 ILE 69 1HD1 ILE 69 8.037 -1.540 1.666 595 HD12 ILE 69 2HD1 ILE 69 7.680 -2.696 2.953 596 HD13 ILE 69 3HD1 ILE 69 9.267 -2.686 2.194 597 H VAL 70 H VAL 70 6.386 0.501 6.804 598 HA VAL 70 HA VAL 70 4.847 2.735 5.974 599 HB VAL 70 HB VAL 70 4.560 0.834 8.340 600 HG11 VAL 70 1HG1 VAL 70 2.267 1.709 8.665 601 HG12 VAL 70 2HG1 VAL 70 2.579 2.971 7.472 602 HG13 VAL 70 3HG1 VAL 70 3.485 2.945 8.984 603 HG21 VAL 70 1HG2 VAL 70 4.220 -0.177 6.108 604 HG22 VAL 70 2HG2 VAL 70 3.003 1.041 5.726 605 HG23 VAL 70 3HG2 VAL 70 2.704 -0.131 7.012 606 H GLU 71 H GLU 71 6.805 2.102 8.931 607 HA GLU 71 HA GLU 71 6.355 4.636 10.117 608 HB2 GLU 71 2HB GLU 71 8.159 4.118 11.668 609 HB3 GLU 71 3HB GLU 71 7.138 2.713 11.429 610 HG2 GLU 71 2HG GLU 71 9.219 1.724 11.426 611 HG3 GLU 71 3HG GLU 71 8.985 1.985 9.704 612 H TYR 72 H TYR 72 8.769 3.513 7.791 613 HA TYR 72 HA TYR 72 10.514 5.673 7.688 614 HB2 TYR 72 2HB TYR 72 10.943 3.623 6.410 615 HB3 TYR 72 3HB TYR 72 9.518 3.890 5.419 616 HD1 TYR 72 HD1 TYR 72 13.000 5.003 6.044 617 HD2 TYR 72 HD2 TYR 72 9.579 5.477 3.531 618 HE1 TYR 72 HE1 TYR 72 14.354 6.251 4.419 619 HE2 TYR 72 HE2 TYR 72 10.937 6.722 1.914 620 HH TYR 72 HH TYR 72 12.995 8.048 1.881 621 H ALA 73 H ALA 73 7.550 5.159 5.784 622 HA ALA 73 HA ALA 73 7.577 7.627 4.407 623 HB1 ALA 73 1HB ALA 73 5.265 7.050 3.768 624 HB2 ALA 73 2HB ALA 73 5.256 5.763 4.979 625 HB3 ALA 73 3HB ALA 73 6.356 5.675 3.603 626 H GLN 74 H GLN 74 6.153 6.698 7.524 627 HA GLN 74 HA GLN 74 4.601 9.070 7.926 628 HB2 GLN 74 2HB GLN 74 5.648 7.038 9.941 629 HB3 GLN 74 3HB GLN 74 4.456 8.290 10.303 630 HG2 GLN 74 2HG GLN 74 2.875 7.295 8.722 631 HG3 GLN 74 3HG GLN 74 4.069 6.095 8.240 632 HE21 GLN 74 1HE2 GLN 74 1.749 6.994 10.643 633 HE22 GLN 74 2HE2 GLN 74 1.837 5.530 11.557 634 H LYS 75 H LYS 75 7.969 8.230 8.627 635 HA LYS 75 HA LYS 75 8.548 10.618 10.168 636 HB2 LYS 75 2HB LYS 75 10.426 8.663 8.782 637 HB3 LYS 75 3HB LYS 75 10.944 9.948 9.872 638 HG2 LYS 75 2HG LYS 75 9.759 8.888 11.739 639 HG3 LYS 75 3HG LYS 75 9.143 7.632 10.666 640 HD2 LYS 75 2HD LYS 75 12.048 8.093 11.461 641 HD3 LYS 75 3HD LYS 75 11.021 6.737 11.931 642 HE2 LYS 75 2HE LYS 75 10.879 6.107 9.482 643 HE3 LYS 75 3HE LYS 75 12.091 7.346 9.154 644 HZ1 LYS 75 1HZ LYS 75 13.140 5.224 9.352 645 HZ2 LYS 75 2HZ LYS 75 12.422 4.941 10.853 646 HZ3 LYS 75 3HZ LYS 75 13.587 6.158 10.692 647 H GLU 76 H GLU 76 8.463 9.803 6.757 648 HA GLU 76 HA GLU 76 9.731 12.225 5.808 649 HB2 GLU 76 2HB GLU 76 7.781 10.405 4.328 650 HB3 GLU 76 3HB GLU 76 8.867 11.577 3.598 651 HG2 GLU 76 2HG GLU 76 9.790 9.117 5.105 652 HG3 GLU 76 3HG GLU 76 9.558 9.173 3.363 653 H GLY 77 H GLY 77 6.713 11.462 7.205 654 HA2 GLY 77 2HA GLY 77 4.966 12.840 7.831 655 HA3 GLY 77 3HA GLY 77 5.631 14.130 6.835 656 H LEU 78 H LEU 78 4.886 10.844 5.795 657 HA LEU 78 HA LEU 78 2.975 11.900 3.798 658 HB2 LEU 78 2HB LEU 78 4.639 9.347 3.675 659 HB3 LEU 78 3HB LEU 78 3.602 9.971 2.399 660 HG LEU 78 HG LEU 78 6.193 11.217 3.400 661 HD11 LEU 78 1HD1 LEU 78 6.552 9.282 1.957 662 HD12 LEU 78 2HD1 LEU 78 7.060 10.766 1.157 663 HD13 LEU 78 3HD1 LEU 78 5.534 9.999 0.706 664 HD21 LEU 78 1HD2 LEU 78 4.269 12.298 1.326 665 HD22 LEU 78 2HD2 LEU 78 5.898 12.910 1.608 666 HD23 LEU 78 3HD2 LEU 78 4.684 13.028 2.878 667 H ARG 79 H ARG 79 1.003 10.927 3.542 668 HA ARG 79 HA ARG 79 -0.079 9.488 5.791 669 HB2 ARG 79 2HB ARG 79 -1.352 11.279 4.702 670 HB3 ARG 79 3HB ARG 79 -1.311 10.431 3.165 671 HG2 ARG 79 2HG ARG 79 -3.513 10.299 4.314 672 HG3 ARG 79 3HG ARG 79 -2.801 8.719 4.000 673 HD2 ARG 79 2HD ARG 79 -3.824 8.805 6.225 674 HD3 ARG 79 3HD ARG 79 -2.081 8.559 6.345 675 HE ARG 79 HE ARG 79 -2.831 11.329 6.525 676 HH11 ARG 79 1HH1 ARG 79 -2.511 8.384 8.421 677 HH12 ARG 79 2HH1 ARG 79 -2.342 9.226 9.925 678 HH21 ARG 79 1HH2 ARG 79 -2.664 12.413 8.517 679 HH22 ARG 79 2HH2 ARG 79 -2.430 11.511 9.979 680 H VAL 80 H VAL 80 -0.070 7.309 5.972 681 HA VAL 80 HA VAL 80 0.529 5.660 3.596 682 HB VAL 80 HB VAL 80 0.876 4.833 6.514 683 HG11 VAL 80 1HG1 VAL 80 1.959 3.627 3.931 684 HG12 VAL 80 2HG1 VAL 80 0.686 2.945 4.948 685 HG13 VAL 80 3HG1 VAL 80 2.336 3.061 5.560 686 HG21 VAL 80 1HG2 VAL 80 2.993 5.957 4.634 687 HG22 VAL 80 2HG2 VAL 80 3.288 5.306 6.249 688 HG23 VAL 80 3HG2 VAL 80 2.327 6.773 6.053 689 H LEU 81 H LEU 81 -1.159 4.670 2.748 690 HA LEU 81 HA LEU 81 -3.437 3.750 4.432 691 HB2 LEU 81 2HB LEU 81 -3.331 4.275 1.418 692 HB3 LEU 81 3HB LEU 81 -4.725 3.688 2.296 693 HG LEU 81 HG LEU 81 -5.110 5.989 1.750 694 HD11 LEU 81 1HD1 LEU 81 -4.438 5.846 4.690 695 HD12 LEU 81 2HD1 LEU 81 -5.943 5.329 3.929 696 HD13 LEU 81 3HD1 LEU 81 -5.493 7.032 3.914 697 HD21 LEU 81 1HD2 LEU 81 -2.789 6.685 1.379 698 HD22 LEU 81 2HD2 LEU 81 -2.524 6.726 3.126 699 HD23 LEU 81 3HD2 LEU 81 -3.676 7.834 2.379 700 H VAL 82 H VAL 82 -3.190 1.573 4.852 701 HA VAL 82 HA VAL 82 -1.586 -0.067 2.993 702 HB VAL 82 HB VAL 82 -2.194 -0.629 5.930 703 HG11 VAL 82 1HG1 VAL 82 -0.275 -2.044 4.037 704 HG12 VAL 82 2HG1 VAL 82 -1.789 -2.702 4.661 705 HG13 VAL 82 3HG1 VAL 82 -0.449 -2.382 5.762 706 HG21 VAL 82 1HG2 VAL 82 0.364 0.450 4.696 707 HG22 VAL 82 2HG2 VAL 82 0.156 -0.008 6.388 708 HG23 VAL 82 3HG2 VAL 82 -0.754 1.351 5.725 709 H ILE 83 H ILE 83 -2.698 -1.419 1.746 710 HA ILE 83 HA ILE 83 -5.116 -2.805 2.735 711 HB ILE 83 HB ILE 83 -3.830 -2.873 -0.048 712 HG12 ILE 83 2HG1 ILE 83 -6.321 -1.448 0.954 713 HG13 ILE 83 3HG1 ILE 83 -4.836 -0.696 0.393 714 HG21 ILE 83 1HG2 ILE 83 -5.009 -4.986 0.482 715 HG22 ILE 83 2HG2 ILE 83 -5.851 -4.087 -0.779 716 HG23 ILE 83 3HG2 ILE 83 -6.471 -4.076 0.874 717 HD11 ILE 83 1HD1 ILE 83 -6.777 -2.265 -1.289 718 HD12 ILE 83 2HD1 ILE 83 -5.268 -1.541 -1.855 719 HD13 ILE 83 3HD1 ILE 83 -6.568 -0.515 -1.253 720 H MET 84 H MET 84 -4.967 -4.908 3.310 721 HA MET 84 HA MET 84 -2.618 -6.529 2.543 722 HB2 MET 84 2HB MET 84 -3.938 -6.231 5.274 723 HB3 MET 84 3HB MET 84 -2.996 -7.654 4.865 724 HG2 MET 84 2HG MET 84 -0.982 -6.404 4.694 725 HG3 MET 84 3HG MET 84 -1.846 -4.867 4.672 726 HE1 MET 84 1HE MET 84 -3.893 -4.875 6.961 727 HE2 MET 84 2HE MET 84 -2.690 -3.596 6.778 728 HE3 MET 84 3HE MET 84 -2.929 -4.363 8.346 729 H VAL 85 H VAL 85 -3.375 -8.036 1.234 730 HA VAL 85 HA VAL 85 -5.933 -9.411 1.773 731 HB VAL 85 HB VAL 85 -4.924 -8.657 -1.025 732 HG11 VAL 85 1HG1 VAL 85 -7.075 -9.586 -1.832 733 HG12 VAL 85 2HG1 VAL 85 -7.498 -10.054 -0.184 734 HG13 VAL 85 3HG1 VAL 85 -6.123 -10.813 -0.991 735 HG21 VAL 85 1HG2 VAL 85 -6.837 -7.127 -1.181 736 HG22 VAL 85 2HG2 VAL 85 -5.809 -6.682 0.179 737 HG23 VAL 85 3HG2 VAL 85 -7.325 -7.533 0.467 738 H ASP 86 H ASP 86 -5.443 -11.484 2.193 739 HA ASP 86 HA ASP 86 -3.674 -13.070 0.605 740 HB2 ASP 86 2HB ASP 86 -2.620 -11.913 3.163 741 HB3 ASP 86 3HB ASP 86 -2.324 -13.632 2.965 742 H GLN 87 H GLN 87 -4.001 -15.168 0.854 743 HA GLN 87 HA GLN 87 -6.037 -16.296 2.433 744 HB2 GLN 87 2HB GLN 87 -5.230 -18.465 1.679 745 HB3 GLN 87 3HB GLN 87 -5.197 -17.333 0.340 746 HG2 GLN 87 2HG GLN 87 -2.765 -18.196 1.934 747 HG3 GLN 87 3HG GLN 87 -3.253 -18.876 0.390 748 HE21 GLN 87 1HE2 GLN 87 -1.755 -16.186 1.972 749 HE22 GLN 87 2HE2 GLN 87 -1.202 -15.386 0.544 750 H ASP 88 H ASP 88 -2.832 -15.372 3.262 751 HA ASP 88 HA ASP 88 -2.799 -16.806 5.815 752 HB2 ASP 88 2HB ASP 88 -0.925 -14.728 4.590 753 HB3 ASP 88 3HB ASP 88 -0.697 -15.413 6.195 754 H GLN 89 H GLN 89 -5.035 -15.765 6.152 755 HA GLN 89 HA GLN 89 -5.330 -13.014 6.782 756 HB2 GLN 89 2HB GLN 89 -6.951 -15.478 7.535 757 HB3 GLN 89 3HB GLN 89 -7.415 -13.869 8.082 758 HG2 GLN 89 2HG GLN 89 -7.084 -14.631 5.164 759 HG3 GLN 89 3HG GLN 89 -8.619 -14.662 6.028 760 HE21 GLN 89 1HE2 GLN 89 -6.090 -12.581 4.790 761 HE22 GLN 89 2HE2 GLN 89 -7.008 -11.121 4.823 762 H GLU 90 H GLU 90 -4.287 -15.781 8.659 763 HA GLU 90 HA GLU 90 -4.313 -14.635 11.251 764 HB2 GLU 90 2HB GLU 90 -2.538 -16.845 10.131 765 HB3 GLU 90 3HB GLU 90 -2.723 -16.463 11.843 766 HG2 GLU 90 2HG GLU 90 -5.048 -17.128 11.817 767 HG3 GLU 90 3HG GLU 90 -5.021 -17.327 10.063 768 H GLU 91 H GLU 91 -1.803 -14.794 8.721 769 HA GLU 91 HA GLU 91 0.283 -13.557 10.201 770 HB2 GLU 91 2HB GLU 91 0.601 -14.945 8.124 771 HB3 GLU 91 3HB GLU 91 -0.067 -13.621 7.175 772 HG2 GLU 91 2HG GLU 91 1.797 -12.160 8.006 773 HG3 GLU 91 3HG GLU 91 2.485 -13.565 8.821 774 H LEU 92 H LEU 92 -2.131 -12.332 7.910 775 HA LEU 92 HA LEU 92 -1.374 -9.603 7.923 776 HB2 LEU 92 2HB LEU 92 -4.138 -10.768 7.423 777 HB3 LEU 92 3HB LEU 92 -3.626 -9.133 7.032 778 HG LEU 92 HG LEU 92 -2.743 -11.706 5.696 779 HD11 LEU 92 1HD1 LEU 92 -3.754 -10.649 3.697 780 HD12 LEU 92 2HD1 LEU 92 -4.289 -9.300 4.697 781 HD13 LEU 92 3HD1 LEU 92 -4.914 -10.924 4.994 782 HD21 LEU 92 1HD2 LEU 92 -1.611 -8.921 5.242 783 HD22 LEU 92 2HD2 LEU 92 -1.334 -10.312 4.194 784 HD23 LEU 92 3HD2 LEU 92 -0.744 -10.333 5.853 785 H GLU 93 H GLU 93 -3.309 -11.533 10.130 786 HA GLU 93 HA GLU 93 -4.693 -9.442 11.463 787 HB2 GLU 93 2HB GLU 93 -5.259 -11.906 11.474 788 HB3 GLU 93 3HB GLU 93 -3.905 -12.186 12.547 789 HG2 GLU 93 2HG GLU 93 -6.136 -10.303 13.339 790 HG3 GLU 93 3HG GLU 93 -6.326 -12.044 13.520 791 H ARG 94 H ARG 94 -1.501 -10.932 11.957 792 HA ARG 94 HA ARG 94 -0.788 -9.515 14.331 793 HB2 ARG 94 2HB ARG 94 0.498 -11.493 13.758 794 HB3 ARG 94 3HB ARG 94 0.947 -10.819 12.196 795 HG2 ARG 94 2HG ARG 94 2.842 -10.744 13.774 796 HG3 ARG 94 3HG ARG 94 2.351 -9.121 13.290 797 HD2 ARG 94 2HD ARG 94 0.948 -9.121 15.502 798 HD3 ARG 94 3HD ARG 94 1.958 -10.497 15.962 799 HE ARG 94 HE ARG 94 3.786 -8.672 15.233 800 HH11 ARG 94 1HH1 ARG 94 1.072 -8.431 17.456 801 HH12 ARG 94 2HH1 ARG 94 1.839 -7.220 18.436 802 HH21 ARG 94 1HH2 ARG 94 4.742 -7.051 16.469 803 HH22 ARG 94 2HH2 ARG 94 3.923 -6.439 17.876 804 H ILE 95 H ILE 95 -0.109 -8.913 10.891 805 HA ILE 95 HA ILE 95 1.454 -6.581 11.205 806 HB ILE 95 HB ILE 95 -0.202 -7.452 8.779 807 HG12 ILE 95 2HG1 ILE 95 2.716 -8.060 9.477 808 HG13 ILE 95 3HG1 ILE 95 1.393 -9.217 9.528 809 HG21 ILE 95 1HG2 ILE 95 1.383 -6.088 7.447 810 HG22 ILE 95 2HG2 ILE 95 2.163 -5.546 8.934 811 HG23 ILE 95 3HG2 ILE 95 0.488 -5.101 8.605 812 HD11 ILE 95 1HD1 ILE 95 2.763 -9.536 7.570 813 HD12 ILE 95 2HD1 ILE 95 2.478 -7.873 7.060 814 HD13 ILE 95 3HD1 ILE 95 1.140 -9.028 7.101 815 H TYR 96 H TYR 96 -1.995 -7.050 10.562 816 HA TYR 96 HA TYR 96 -2.922 -4.450 10.287 817 HB2 TYR 96 2HB TYR 96 -4.389 -6.318 9.808 818 HB3 TYR 96 3HB TYR 96 -4.237 -6.953 11.436 819 HD1 TYR 96 HD1 TYR 96 -5.947 -4.428 9.329 820 HD2 TYR 96 HD2 TYR 96 -5.572 -6.008 13.280 821 HE1 TYR 96 HE1 TYR 96 -8.022 -3.280 9.993 822 HE2 TYR 96 HE2 TYR 96 -7.633 -4.856 13.946 823 HH TYR 96 HH TYR 96 -9.782 -3.472 11.735 824 H GLU 97 H GLU 97 -2.566 -6.445 13.208 825 HA GLU 97 HA GLU 97 -3.573 -4.721 15.137 826 HB2 GLU 97 2HB GLU 97 -3.150 -7.025 15.696 827 HB3 GLU 97 3HB GLU 97 -1.444 -6.881 15.295 828 HG2 GLU 97 2HG GLU 97 -1.742 -7.021 17.713 829 HG3 GLU 97 3HG GLU 97 -1.077 -5.454 17.267 830 H GLN 98 H GLN 98 -0.137 -5.110 14.109 831 HA GLN 98 HA GLN 98 0.762 -3.183 16.034 832 HB2 GLN 98 2HB GLN 98 3.020 -3.510 15.023 833 HB3 GLN 98 3HB GLN 98 2.232 -4.991 15.517 834 HG2 GLN 98 2HG GLN 98 3.301 -5.550 13.526 835 HG3 GLN 98 3HG GLN 98 1.621 -5.329 13.061 836 HE21 GLN 98 1HE2 GLN 98 3.704 -2.563 13.622 837 HE22 GLN 98 2HE2 GLN 98 3.845 -2.106 11.966 838 H LEU 99 H LEU 99 -0.191 -2.913 12.671 839 HA LEU 99 HA LEU 99 0.798 -0.240 12.235 840 HB2 LEU 99 2HB LEU 99 -1.401 -1.821 10.847 841 HB3 LEU 99 3HB LEU 99 -0.816 -0.263 10.291 842 HG LEU 99 HG LEU 99 0.878 -2.788 10.446 843 HD11 LEU 99 1HD1 LEU 99 -0.370 -1.479 8.009 844 HD12 LEU 99 2HD1 LEU 99 -0.862 -3.007 8.740 845 HD13 LEU 99 3HD1 LEU 99 0.729 -2.862 7.999 846 HD21 LEU 99 1HD2 LEU 99 2.521 -1.520 9.125 847 HD22 LEU 99 2HD2 LEU 99 2.233 -0.785 10.698 848 HD23 LEU 99 3HD2 LEU 99 1.513 -0.076 9.251 849 H LYS 100 H LYS 100 -2.381 -1.609 13.042 850 HA LYS 100 HA LYS 100 -3.926 0.737 13.170 851 HB2 LYS 100 2HB LYS 100 -4.346 -2.071 13.542 852 HB3 LYS 100 3HB LYS 100 -4.871 -1.349 15.042 853 HG2 LYS 100 2HG LYS 100 -5.922 -0.640 12.296 854 HG3 LYS 100 3HG LYS 100 -6.702 -1.720 13.449 855 HD2 LYS 100 2HD LYS 100 -6.802 0.249 15.061 856 HD3 LYS 100 3HD LYS 100 -6.261 1.275 13.726 857 HE2 LYS 100 2HE LYS 100 -8.711 1.349 13.958 858 HE3 LYS 100 3HE LYS 100 -8.258 0.618 12.418 859 HZ1 LYS 100 1HZ LYS 100 -10.041 -0.596 13.537 860 HZ2 LYS 100 2HZ LYS 100 -9.035 -0.893 14.859 861 HZ3 LYS 100 3HZ LYS 100 -8.667 -1.561 13.352 862 H LYS 101 H LYS 101 -2.055 -1.000 15.557 863 HA LYS 101 HA LYS 101 -2.715 0.236 17.958 864 HB2 LYS 101 2HB LYS 101 -1.357 -1.852 17.607 865 HB3 LYS 101 3HB LYS 101 0.004 -0.860 17.098 866 HG2 LYS 101 2HG LYS 101 0.029 0.178 19.382 867 HG3 LYS 101 3HG LYS 101 -1.265 -0.924 19.865 868 HD2 LYS 101 2HD LYS 101 1.527 -1.724 18.941 869 HD3 LYS 101 3HD LYS 101 0.929 -1.776 20.599 870 HE2 LYS 101 2HE LYS 101 -0.129 -3.449 18.291 871 HE3 LYS 101 3HE LYS 101 0.948 -4.014 19.563 872 HZ1 LYS 101 1HZ LYS 101 -1.230 -4.676 20.114 873 HZ2 LYS 101 2HZ LYS 101 -1.861 -3.133 19.860 874 HZ3 LYS 101 3HZ LYS 101 -0.829 -3.420 21.171 875 H ASP 102 H ASP 102 -0.374 1.173 15.496 876 HA ASP 102 HA ASP 102 0.625 3.508 16.912 877 HB2 ASP 102 2HB ASP 102 2.130 2.202 15.491 878 HB3 ASP 102 3HB ASP 102 1.087 2.430 14.093 879 H GLY 103 H GLY 103 -1.820 2.770 14.501 880 HA2 GLY 103 2HA GLY 103 -3.776 4.187 14.362 881 HA3 GLY 103 3HA GLY 103 -2.742 5.596 14.527 882 H VAL 104 H VAL 104 -1.859 2.942 12.435 883 HA VAL 104 HA VAL 104 -1.938 4.623 10.064 884 HB VAL 104 HB VAL 104 -1.146 1.676 10.305 885 HG11 VAL 104 1HG1 VAL 104 -0.505 3.695 8.117 886 HG12 VAL 104 2HG1 VAL 104 -1.620 2.333 7.982 887 HG13 VAL 104 3HG1 VAL 104 0.105 2.040 8.201 888 HG21 VAL 104 1HG2 VAL 104 0.655 4.128 10.484 889 HG22 VAL 104 2HG2 VAL 104 1.204 2.450 10.457 890 HG23 VAL 104 3HG2 VAL 104 0.242 3.041 11.812 891 H ASP 105 H ASP 105 -3.381 4.405 8.346 892 HA ASP 105 HA ASP 105 -5.953 3.256 8.891 893 HB2 ASP 105 2HB ASP 105 -5.688 5.401 7.630 894 HB3 ASP 105 3HB ASP 105 -4.903 4.527 6.323 895 H VAL 106 H VAL 106 -6.331 1.135 8.633 896 HA VAL 106 HA VAL 106 -4.967 -0.393 6.484 897 HB VAL 106 HB VAL 106 -4.673 -2.288 8.138 898 HG11 VAL 106 1HG1 VAL 106 -2.778 -0.863 7.533 899 HG12 VAL 106 2HG1 VAL 106 -2.669 -1.358 9.216 900 HG13 VAL 106 3HG1 VAL 106 -3.190 0.280 8.812 901 HG21 VAL 106 1HG2 VAL 106 -4.745 -1.803 10.553 902 HG22 VAL 106 2HG2 VAL 106 -6.334 -1.569 9.826 903 HG23 VAL 106 3HG2 VAL 106 -5.337 -0.169 10.226 904 H ARG 107 H ARG 107 -5.933 -2.261 5.786 905 HA ARG 107 HA ARG 107 -8.586 -3.065 6.699 906 HB2 ARG 107 2HB ARG 107 -9.414 -3.042 4.269 907 HB3 ARG 107 3HB ARG 107 -9.240 -1.465 5.033 908 HG2 ARG 107 2HG ARG 107 -6.973 -1.270 3.899 909 HG3 ARG 107 3HG ARG 107 -7.383 -2.724 2.986 910 HD2 ARG 107 2HD ARG 107 -7.808 -0.583 1.749 911 HD3 ARG 107 3HD ARG 107 -9.231 -1.604 1.914 912 HE ARG 107 HE ARG 107 -10.236 0.191 2.827 913 HH11 ARG 107 1HH1 ARG 107 -6.846 0.447 3.825 914 HH12 ARG 107 2HH1 ARG 107 -7.119 1.900 4.733 915 HH21 ARG 107 1HH2 ARG 107 -10.535 2.096 3.961 916 HH22 ARG 107 2HH2 ARG 107 -9.203 2.828 4.812 917 H VAL 108 H VAL 108 -8.723 -5.249 6.675 918 HA VAL 108 HA VAL 108 -6.788 -6.829 5.080 919 HB VAL 108 HB VAL 108 -6.926 -8.592 6.906 920 HG11 VAL 108 1HG1 VAL 108 -5.305 -7.494 8.402 921 HG12 VAL 108 2HG1 VAL 108 -5.742 -5.919 7.734 922 HG13 VAL 108 3HG1 VAL 108 -4.970 -7.131 6.709 923 HG21 VAL 108 1HG2 VAL 108 -7.656 -7.908 9.184 924 HG22 VAL 108 2HG2 VAL 108 -8.996 -7.876 8.039 925 HG23 VAL 108 3HG2 VAL 108 -8.231 -6.366 8.538 926 H THR 109 H THR 109 -7.565 -8.465 3.886 927 HA THR 109 HA THR 109 -9.984 -9.898 4.442 928 HB THR 109 HB THR 109 -10.911 -7.831 3.292 929 HG1 THR 109 HG1 THR 109 -12.393 -9.055 2.377 930 HG21 THR 109 1HG2 THR 109 -9.065 -7.380 1.691 931 HG22 THR 109 2HG2 THR 109 -10.605 -7.565 0.849 932 HG23 THR 109 3HG2 THR 109 -9.431 -8.883 0.840 933 H ASP 110 H ASP 110 -10.404 -11.405 2.394 934 HA ASP 110 HA ASP 110 -7.966 -11.988 0.868 935 HB2 ASP 110 2HB ASP 110 -7.787 -13.491 2.800 936 HB3 ASP 110 3HB ASP 110 -9.437 -14.053 2.566 937 H ASN 111 H ASN 111 -9.062 -11.154 -0.884 938 HA ASN 111 HA ASN 111 -10.459 -13.048 -2.465 939 HB2 ASN 111 2HB ASN 111 -12.585 -11.862 -2.821 940 HB3 ASN 111 3HB ASN 111 -12.413 -12.209 -1.103 941 HD21 ASN 111 1HD2 ASN 111 -12.239 -10.496 0.342 942 HD22 ASN 111 2HD2 ASN 111 -12.431 -8.844 -0.127 943 H GLU 112 H GLU 112 -11.377 -11.596 -4.513 944 HA GLU 112 HA GLU 112 -9.089 -9.934 -5.377 945 HB2 GLU 112 2HB GLU 112 -9.521 -11.984 -6.688 946 HB3 GLU 112 3HB GLU 112 -11.165 -11.447 -7.015 947 HG2 GLU 112 2HG GLU 112 -10.282 -9.511 -8.277 948 HG3 GLU 112 3HG GLU 112 -8.632 -10.051 -7.956 949 H ASP 113 H ASP 113 -12.684 -10.087 -5.643 950 HA ASP 113 HA ASP 113 -12.919 -7.732 -7.192 951 HB2 ASP 113 2HB ASP 113 -14.583 -9.573 -7.255 952 HB3 ASP 113 3HB ASP 113 -15.087 -9.191 -5.614 953 H GLU 114 H GLU 114 -13.782 -8.308 -3.742 954 HA GLU 114 HA GLU 114 -14.461 -5.638 -3.084 955 HB2 GLU 114 2HB GLU 114 -15.102 -7.554 -1.649 956 HB3 GLU 114 3HB GLU 114 -13.402 -7.841 -1.261 957 HG2 GLU 114 2HG GLU 114 -13.366 -5.489 -0.250 958 HG3 GLU 114 3HG GLU 114 -15.114 -5.470 -0.432 959 H ALA 115 H ALA 115 -11.391 -7.413 -2.954 960 HA ALA 115 HA ALA 115 -9.766 -5.546 -1.645 961 HB1 ALA 115 1HB ALA 115 -9.095 -7.862 -2.154 962 HB2 ALA 115 2HB ALA 115 -7.887 -6.710 -2.726 963 HB3 ALA 115 3HB ALA 115 -8.999 -7.470 -3.870 964 H LYS 116 H LYS 116 -10.786 -5.750 -5.006 965 HA LYS 116 HA LYS 116 -9.196 -3.591 -6.045 966 HB2 LYS 116 2HB LYS 116 -11.624 -5.069 -7.129 967 HB3 LYS 116 3HB LYS 116 -10.726 -3.864 -8.048 968 HG2 LYS 116 2HG LYS 116 -8.749 -5.242 -8.101 969 HG3 LYS 116 3HG LYS 116 -9.432 -6.372 -6.928 970 HD2 LYS 116 2HD LYS 116 -9.531 -7.354 -9.163 971 HD3 LYS 116 3HD LYS 116 -11.166 -7.029 -8.589 972 HE2 LYS 116 2HE LYS 116 -11.197 -4.946 -9.964 973 HE3 LYS 116 3HE LYS 116 -9.589 -5.348 -10.570 974 HZ1 LYS 116 1HZ LYS 116 -11.292 -6.030 -12.119 975 HZ2 LYS 116 2HZ LYS 116 -12.042 -6.984 -10.938 976 HZ3 LYS 116 3HZ LYS 116 -10.501 -7.387 -11.497 977 H LYS 117 H LYS 117 -12.425 -3.871 -4.636 978 HA LYS 117 HA LYS 117 -13.371 -1.241 -5.253 979 HB2 LYS 117 2HB LYS 117 -14.180 -3.093 -2.962 980 HB3 LYS 117 3HB LYS 117 -15.065 -1.657 -3.459 981 HG2 LYS 117 2HG LYS 117 -14.671 -4.158 -5.135 982 HG3 LYS 117 3HG LYS 117 -16.136 -3.719 -4.258 983 HD2 LYS 117 2HD LYS 117 -16.305 -1.648 -5.681 984 HD3 LYS 117 3HD LYS 117 -14.916 -2.219 -6.610 985 HE2 LYS 117 2HE LYS 117 -17.595 -3.634 -6.359 986 HE3 LYS 117 3HE LYS 117 -17.025 -2.730 -7.762 987 HZ1 LYS 117 1HZ LYS 117 -15.179 -4.337 -7.913 988 HZ2 LYS 117 2HZ LYS 117 -16.696 -5.032 -8.152 989 HZ3 LYS 117 3HZ LYS 117 -15.891 -5.245 -6.683 990 H ARG 118 H ARG 118 -11.574 -2.675 -2.603 991 HA ARG 118 HA ARG 118 -11.413 -0.397 -0.878 992 HB2 ARG 118 2HB ARG 118 -9.731 -2.934 -1.056 993 HB3 ARG 118 3HB ARG 118 -9.628 -1.771 0.253 994 HG2 ARG 118 2HG ARG 118 -12.155 -3.307 -0.409 995 HG3 ARG 118 3HG ARG 118 -10.942 -3.874 0.736 996 HD2 ARG 118 2HD ARG 118 -12.628 -2.868 2.053 997 HD3 ARG 118 3HD ARG 118 -11.319 -1.693 2.010 998 HE ARG 118 HE ARG 118 -12.626 -0.273 0.700 999 HH11 ARG 118 1HH1 ARG 118 -14.403 -3.241 1.383 1000 HH12 ARG 118 2HH1 ARG 118 -15.930 -2.566 0.914 1001 HH21 ARG 118 1HH2 ARG 118 -14.649 0.594 0.155 1002 HH22 ARG 118 2HH2 ARG 118 -16.066 -0.407 0.222 1003 H LEU 119 H LEU 119 -9.542 -1.688 -3.529 1004 HA LEU 119 HA LEU 119 -7.176 -0.190 -3.278 1005 HB2 LEU 119 2HB LEU 119 -7.828 -2.267 -4.803 1006 HB3 LEU 119 3HB LEU 119 -8.293 -1.047 -5.966 1007 HG LEU 119 HG LEU 119 -6.055 -1.907 -6.458 1008 HD11 LEU 119 1HD1 LEU 119 -4.762 0.138 -6.606 1009 HD12 LEU 119 2HD1 LEU 119 -5.832 0.933 -5.450 1010 HD13 LEU 119 3HD1 LEU 119 -6.448 0.432 -7.028 1011 HD21 LEU 119 1HD2 LEU 119 -5.176 -0.922 -3.727 1012 HD22 LEU 119 2HD2 LEU 119 -4.154 -1.668 -4.961 1013 HD23 LEU 119 3HD2 LEU 119 -5.422 -2.610 -4.182 1014 H LYS 120 H LYS 120 -9.968 0.346 -5.515 1015 HA LYS 120 HA LYS 120 -9.314 2.927 -6.358 1016 HB2 LYS 120 2HB LYS 120 -11.011 1.843 -7.616 1017 HB3 LYS 120 3HB LYS 120 -11.977 1.478 -6.190 1018 HG2 LYS 120 2HG LYS 120 -12.608 3.835 -5.954 1019 HG3 LYS 120 3HG LYS 120 -11.546 4.294 -7.281 1020 HD2 LYS 120 2HD LYS 120 -13.935 2.441 -7.606 1021 HD3 LYS 120 3HD LYS 120 -14.024 4.187 -7.834 1022 HE2 LYS 120 2HE LYS 120 -12.235 2.310 -9.410 1023 HE3 LYS 120 3HE LYS 120 -13.764 2.984 -9.979 1024 HZ1 LYS 120 1HZ LYS 120 -11.862 4.234 -10.796 1025 HZ2 LYS 120 2HZ LYS 120 -11.373 4.573 -9.216 1026 HZ3 LYS 120 3HZ LYS 120 -12.829 5.194 -9.801 1027 H GLU 121 H GLU 121 -11.138 1.869 -3.508 1028 HA GLU 121 HA GLU 121 -12.210 4.216 -2.534 1029 HB2 GLU 121 2HB GLU 121 -12.687 2.060 -1.515 1030 HB3 GLU 121 3HB GLU 121 -11.007 1.864 -1.025 1031 HG2 GLU 121 2HG GLU 121 -11.265 3.790 0.531 1032 HG3 GLU 121 3HG GLU 121 -12.958 3.919 0.066 1033 H LEU 122 H LEU 122 -8.920 2.932 -1.965 1034 HA LEU 122 HA LEU 122 -8.074 5.059 -0.271 1035 HB2 LEU 122 2HB LEU 122 -6.475 2.981 -1.802 1036 HB3 LEU 122 3HB LEU 122 -5.745 4.145 -0.704 1037 HG LEU 122 HG LEU 122 -7.669 1.903 0.016 1038 HD11 LEU 122 1HD1 LEU 122 -4.820 2.468 0.865 1039 HD12 LEU 122 2HD1 LEU 122 -5.354 1.216 -0.252 1040 HD13 LEU 122 3HD1 LEU 122 -5.822 1.136 1.443 1041 HD21 LEU 122 1HD2 LEU 122 -8.376 3.791 1.331 1042 HD22 LEU 122 2HD2 LEU 122 -6.715 4.183 1.777 1043 HD23 LEU 122 3HD2 LEU 122 -7.465 2.705 2.376 1044 H LEU 123 H LEU 123 -7.802 4.510 -3.760 1045 HA LEU 123 HA LEU 123 -6.173 6.727 -4.396 1046 HB2 LEU 123 2HB LEU 123 -8.174 5.102 -5.974 1047 HB3 LEU 123 3HB LEU 123 -7.564 6.588 -6.676 1048 HG LEU 123 HG LEU 123 -6.303 4.676 -7.530 1049 HD11 LEU 123 1HD1 LEU 123 -4.015 5.409 -7.076 1050 HD12 LEU 123 2HD1 LEU 123 -4.568 6.340 -5.682 1051 HD13 LEU 123 3HD1 LEU 123 -5.091 6.786 -7.308 1052 HD21 LEU 123 1HD2 LEU 123 -4.883 3.259 -6.132 1053 HD22 LEU 123 2HD2 LEU 123 -6.574 3.104 -5.666 1054 HD23 LEU 123 3HD2 LEU 123 -5.474 4.064 -4.674 1055 H GLU 124 H GLU 124 -9.666 6.454 -3.864 1056 HA GLU 124 HA GLU 124 -10.351 9.158 -4.571 1057 HB2 GLU 124 2HB GLU 124 -11.890 7.147 -2.858 1058 HB3 GLU 124 3HB GLU 124 -12.546 8.629 -3.550 1059 HG2 GLU 124 2HG GLU 124 -12.175 7.749 -5.819 1060 HG3 GLU 124 3HG GLU 124 -11.502 6.272 -5.139 1061 H LYS 125 H LYS 125 -9.329 7.482 -1.657 1062 HA LYS 125 HA LYS 125 -9.921 9.573 0.198 1063 HB2 LYS 125 2HB LYS 125 -8.178 7.095 0.426 1064 HB3 LYS 125 3HB LYS 125 -8.406 8.232 1.753 1065 HG2 LYS 125 2HG LYS 125 -10.872 7.812 1.660 1066 HG3 LYS 125 3HG LYS 125 -10.590 6.611 0.398 1067 HD2 LYS 125 2HD LYS 125 -10.877 5.524 2.591 1068 HD3 LYS 125 3HD LYS 125 -9.251 5.255 1.964 1069 HE2 LYS 125 2HE LYS 125 -8.342 6.949 3.458 1070 HE3 LYS 125 3HE LYS 125 -9.962 7.393 3.996 1071 HZ1 LYS 125 1HZ LYS 125 -8.630 4.785 4.445 1072 HZ2 LYS 125 2HZ LYS 125 -10.205 5.177 4.924 1073 HZ3 LYS 125 3HZ LYS 125 -8.888 5.993 5.601 1074 H VAL 126 H VAL 126 -7.158 8.873 -1.860 1075 HA VAL 126 HA VAL 126 -5.398 10.858 -0.789 1076 HB VAL 126 HB VAL 126 -5.576 9.882 -3.690 1077 HG11 VAL 126 1HG1 VAL 126 -3.273 11.255 -2.241 1078 HG12 VAL 126 2HG1 VAL 126 -4.298 11.980 -3.482 1079 HG13 VAL 126 3HG1 VAL 126 -3.231 10.641 -3.895 1080 HG21 VAL 126 1HG2 VAL 126 -5.215 7.974 -2.194 1081 HG22 VAL 126 2HG2 VAL 126 -3.856 8.792 -1.429 1082 HG23 VAL 126 3HG2 VAL 126 -3.750 8.300 -3.120 1083 H LEU 127 H LEU 127 -7.996 10.841 -3.192 1084 HA LEU 127 HA LEU 127 -7.605 13.515 -4.145 1085 HB2 LEU 127 2HB LEU 127 -10.011 11.694 -4.518 1086 HB3 LEU 127 3HB LEU 127 -9.663 13.148 -5.445 1087 HG LEU 127 HG LEU 127 -8.121 10.530 -5.501 1088 HD11 LEU 127 1HD1 LEU 127 -10.161 10.454 -6.799 1089 HD12 LEU 127 2HD1 LEU 127 -8.759 10.442 -7.871 1090 HD13 LEU 127 3HD1 LEU 127 -9.705 11.922 -7.668 1091 HD21 LEU 127 1HD2 LEU 127 -6.485 12.328 -5.627 1092 HD22 LEU 127 2HD2 LEU 127 -7.389 13.096 -6.935 1093 HD23 LEU 127 3HD2 LEU 127 -6.635 11.519 -7.187 1094 H GLU 128 H GLU 128 -9.375 12.183 -1.451 1095 HA GLU 128 HA GLU 128 -11.116 14.289 -0.795 1096 HB2 GLU 128 2HB GLU 128 -9.394 12.623 1.097 1097 HB3 GLU 128 3HB GLU 128 -10.724 13.659 1.612 1098 HG2 GLU 128 2HG GLU 128 -12.283 12.244 0.244 1099 HG3 GLU 128 3HG GLU 128 -10.930 11.165 -0.105 1100 H HIS 129 H HIS 129 -7.640 14.013 -0.478 1101 HA HIS 129 HA HIS 129 -7.322 16.523 0.992 1102 HB2 HIS 129 2HB HIS 129 -5.242 14.530 -0.037 1103 HB3 HIS 129 3HB HIS 129 -4.913 15.904 1.021 1104 HD1 HIS 129 HD1 HIS 129 -6.185 12.415 1.034 1105 HD2 HIS 129 HD2 HIS 129 -5.873 15.593 3.698 1106 HE1 HIS 129 HE1 HIS 129 -6.647 11.450 3.301 1107 HE2 HIS 129 HE2 HIS 129 -6.430 13.379 4.895 1108 H HIS 130 H HIS 130 -6.352 18.349 0.146 1109 HA HIS 130 HA HIS 130 -6.535 18.953 -2.619 1110 HB2 HIS 130 2HB HIS 130 -6.689 20.677 -0.816 1111 HB3 HIS 130 3HB HIS 130 -5.003 20.405 -0.401 1112 HD1 HIS 130 HD1 HIS 130 -3.360 21.922 -1.537 1113 HD2 HIS 130 HD2 HIS 130 -6.992 21.798 -3.544 1114 HE1 HIS 130 HE1 HIS 130 -3.208 23.678 -3.316 1115 HE2 HIS 130 HE2 HIS 130 -5.482 23.720 -4.367 1116 H HIS 131 H HIS 131 -5.058 18.681 -4.223 1117 HA HIS 131 HA HIS 131 -2.693 17.094 -3.840 1118 HB2 HIS 131 2HB HIS 131 -3.639 18.636 -6.311 1119 HB3 HIS 131 3HB HIS 131 -2.315 17.476 -6.300 1120 HD1 HIS 131 HD1 HIS 131 -3.416 15.910 -7.972 1121 HD2 HIS 131 HD2 HIS 131 -5.780 16.584 -4.620 1122 HE1 HIS 131 HE1 HIS 131 -5.332 14.314 -8.169 1123 HE2 HIS 131 HE2 HIS 131 -6.840 14.890 -6.245 1124 H HIS 132 H HIS 132 -0.530 17.834 -4.722 1125 HA HIS 132 HA HIS 132 0.357 20.291 -3.559 1126 HB2 HIS 132 2HB HIS 132 1.816 18.271 -3.791 1127 HB3 HIS 132 3HB HIS 132 1.806 18.473 -5.538 1128 HD1 HIS 132 HD1 HIS 132 4.233 18.997 -5.915 1129 HD2 HIS 132 HD2 HIS 132 2.566 21.372 -2.947 1130 HE1 HIS 132 HE1 HIS 132 5.966 20.727 -5.374 1131 HE2 HIS 132 HE2 HIS 132 4.875 22.237 -3.693 1132 H HIS 133 H HIS 133 -1.185 19.610 -6.526 1133 HA HIS 133 HA HIS 133 -0.431 21.952 -8.002 1134 HB2 HIS 133 2HB HIS 133 -2.918 20.179 -8.122 1135 HB3 HIS 133 3HB HIS 133 -2.600 21.496 -9.249 1136 HD1 HIS 133 HD1 HIS 133 -1.857 20.535 -11.400 1137 HD2 HIS 133 HD2 HIS 133 -0.326 18.390 -8.189 1138 HE1 HIS 133 HE1 HIS 133 -0.393 18.769 -12.409 1139 HE2 HIS 133 HE2 HIS 133 0.650 17.599 -10.446 1140 H HIS 134 H HIS 134 -0.987 24.015 -7.512 1141 HA HIS 134 HA HIS 134 -2.401 24.642 -5.140 1142 HB2 HIS 134 2HB HIS 134 -1.937 27.003 -5.643 1143 HB3 HIS 134 3HB HIS 134 -0.507 26.015 -5.900 1144 HD1 HIS 134 HD1 HIS 134 -2.559 28.542 -7.485 1145 HD2 HIS 134 HD2 HIS 134 0.004 25.554 -8.793 1146 HE1 HIS 134 HE1 HIS 134 -2.003 29.125 -9.861 1147 HE2 HIS 134 HE2 HIS 134 -0.549 27.244 -10.661 Start of MODEL 3 1 H1 MET 1 1H MET 1 -2.449 13.772 -0.590 2 H2 MET 1 2H MET 1 -3.233 15.041 -1.382 3 H3 MET 1 3H MET 1 -1.623 15.213 -0.890 4 HA MET 1 HA MET 1 -2.626 13.305 -2.903 5 HB2 MET 1 2HB MET 1 -1.100 15.922 -3.213 6 HB3 MET 1 3HB MET 1 -1.249 14.734 -4.506 7 HG2 MET 1 2HG MET 1 -2.865 16.561 -4.769 8 HG3 MET 1 3HG MET 1 -3.679 15.015 -4.514 9 HE1 MET 1 1HE MET 1 -6.068 17.662 -2.741 10 HE2 MET 1 2HE MET 1 -5.989 16.402 -3.973 11 HE3 MET 1 3HE MET 1 -5.120 17.918 -4.207 12 H GLY 2 H GLY 2 0.449 14.926 -1.816 13 HA2 GLY 2 2HA GLY 2 2.172 12.774 -2.439 14 HA3 GLY 2 3HA GLY 2 2.514 14.049 -1.276 15 H THR 3 H THR 3 1.450 10.763 -1.681 16 HA THR 3 HA THR 3 1.268 10.243 1.201 17 HB THR 3 HB THR 3 -1.106 9.725 -0.675 18 HG1 THR 3 HG1 THR 3 -0.502 11.874 1.027 19 HG21 THR 3 1HG2 THR 3 -0.898 9.457 2.347 20 HG22 THR 3 2HG2 THR 3 -0.960 8.120 1.199 21 HG23 THR 3 3HG2 THR 3 -2.353 9.181 1.365 22 H VAL 4 H VAL 4 1.544 7.999 1.689 23 HA VAL 4 HA VAL 4 2.449 6.306 -0.572 24 HB VAL 4 HB VAL 4 3.063 6.015 2.415 25 HG11 VAL 4 1HG1 VAL 4 4.752 4.345 1.714 26 HG12 VAL 4 2HG1 VAL 4 4.218 4.498 0.038 27 HG13 VAL 4 3HG1 VAL 4 3.124 3.839 1.256 28 HG21 VAL 4 1HG2 VAL 4 4.139 8.005 1.472 29 HG22 VAL 4 2HG2 VAL 4 4.828 7.044 0.163 30 HG23 VAL 4 3HG2 VAL 4 5.345 6.767 1.828 31 H VAL 5 H VAL 5 1.546 4.364 -0.949 32 HA VAL 5 HA VAL 5 -0.533 3.263 0.860 33 HB VAL 5 HB VAL 5 -0.456 3.115 -2.208 34 HG11 VAL 5 1HG1 VAL 5 -1.383 1.067 -1.228 35 HG12 VAL 5 2HG1 VAL 5 -2.641 1.991 -2.047 36 HG13 VAL 5 3HG1 VAL 5 -2.534 2.021 -0.286 37 HG21 VAL 5 1HG2 VAL 5 -1.137 5.363 -1.431 38 HG22 VAL 5 2HG2 VAL 5 -2.415 4.640 -0.454 39 HG23 VAL 5 3HG2 VAL 5 -2.476 4.517 -2.212 40 H ILE 6 H ILE 6 0.369 1.472 1.783 41 HA ILE 6 HA ILE 6 2.322 -0.179 0.300 42 HB ILE 6 HB ILE 6 1.562 -0.186 3.266 43 HG12 ILE 6 2HG1 ILE 6 2.869 1.804 2.685 44 HG13 ILE 6 3HG1 ILE 6 3.888 0.703 3.603 45 HG21 ILE 6 1HG2 ILE 6 3.478 -1.742 3.584 46 HG22 ILE 6 2HG2 ILE 6 3.675 -1.854 1.833 47 HG23 ILE 6 3HG2 ILE 6 2.201 -2.454 2.595 48 HD11 ILE 6 1HD1 ILE 6 5.116 1.721 1.774 49 HD12 ILE 6 2HD1 ILE 6 3.950 1.102 0.607 50 HD13 ILE 6 3HD1 ILE 6 4.972 -0.017 1.513 51 H VAL 7 H VAL 7 1.165 -1.470 -1.000 52 HA VAL 7 HA VAL 7 -1.057 -3.097 0.068 53 HB VAL 7 HB VAL 7 -0.096 -2.788 -2.829 54 HG11 VAL 7 1HG1 VAL 7 -2.589 -4.150 -1.730 55 HG12 VAL 7 2HG1 VAL 7 -1.179 -4.965 -2.417 56 HG13 VAL 7 3HG1 VAL 7 -2.187 -3.938 -3.435 57 HG21 VAL 7 1HG2 VAL 7 -1.058 -0.687 -1.979 58 HG22 VAL 7 2HG2 VAL 7 -2.514 -1.541 -1.461 59 HG23 VAL 7 3HG2 VAL 7 -2.121 -1.426 -3.179 60 H VAL 8 H VAL 8 -0.533 -5.055 0.763 61 HA VAL 8 HA VAL 8 1.804 -6.515 -0.330 62 HB VAL 8 HB VAL 8 0.611 -6.612 2.487 63 HG11 VAL 8 1HG1 VAL 8 2.430 -8.177 3.062 64 HG12 VAL 8 2HG1 VAL 8 2.952 -8.199 1.378 65 HG13 VAL 8 3HG1 VAL 8 1.372 -8.849 1.819 66 HG21 VAL 8 1HG2 VAL 8 2.747 -5.655 3.248 67 HG22 VAL 8 2HG2 VAL 8 1.968 -4.583 2.083 68 HG23 VAL 8 3HG2 VAL 8 3.329 -5.589 1.583 69 H SER 9 H SER 9 1.191 -8.267 -1.469 70 HA SER 9 HA SER 9 -0.947 -9.999 -0.427 71 HB2 SER 9 2HB SER 9 -0.709 -9.255 -3.379 72 HB3 SER 9 3HB SER 9 -1.861 -10.395 -2.691 73 HG SER 9 HG SER 9 -2.591 -8.516 -1.405 74 H ARG 10 H ARG 10 -0.065 -11.916 -0.103 75 HA ARG 10 HA ARG 10 2.390 -12.861 -1.171 76 HB2 ARG 10 2HB ARG 10 0.098 -14.367 0.161 77 HB3 ARG 10 3HB ARG 10 1.677 -15.071 -0.179 78 HG2 ARG 10 2HG ARG 10 2.759 -13.558 1.383 79 HG3 ARG 10 3HG ARG 10 1.256 -12.659 1.620 80 HD2 ARG 10 2HD ARG 10 1.684 -14.146 3.517 81 HD3 ARG 10 3HD ARG 10 0.226 -14.647 2.659 82 HE ARG 10 HE ARG 10 2.079 -16.233 1.531 83 HH11 ARG 10 1HH1 ARG 10 1.424 -15.552 4.920 84 HH12 ARG 10 2HH1 ARG 10 1.957 -17.110 5.462 85 HH21 ARG 10 1HH2 ARG 10 2.793 -18.255 2.241 86 HH22 ARG 10 2HH2 ARG 10 2.742 -18.660 3.928 87 H ASP 11 H ASP 11 -0.985 -13.240 -2.134 88 HA ASP 11 HA ASP 11 -0.365 -14.706 -4.568 89 HB2 ASP 11 2HB ASP 11 -2.893 -13.316 -3.577 90 HB3 ASP 11 3HB ASP 11 -2.788 -14.091 -5.156 91 H GLU 12 H GLU 12 0.974 -13.567 -5.878 92 HA GLU 12 HA GLU 12 1.017 -10.780 -6.365 93 HB2 GLU 12 2HB GLU 12 1.896 -13.019 -8.240 94 HB3 GLU 12 3HB GLU 12 2.383 -11.329 -8.349 95 HG2 GLU 12 2HG GLU 12 3.575 -11.523 -6.197 96 HG3 GLU 12 3HG GLU 12 3.065 -13.207 -6.070 97 H ARG 13 H ARG 13 -1.021 -13.293 -7.549 98 HA ARG 13 HA ARG 13 -1.971 -12.216 -9.966 99 HB2 ARG 13 2HB ARG 13 -3.463 -14.043 -8.037 100 HB3 ARG 13 3HB ARG 13 -3.820 -13.820 -9.746 101 HG2 ARG 13 2HG ARG 13 -1.339 -15.105 -8.570 102 HG3 ARG 13 3HG ARG 13 -2.647 -15.919 -9.429 103 HD2 ARG 13 2HD ARG 13 -2.048 -14.766 -11.505 104 HD3 ARG 13 3HD ARG 13 -0.801 -13.837 -10.663 105 HE ARG 13 HE ARG 13 -0.332 -16.604 -10.331 106 HH11 ARG 13 1HH1 ARG 13 -0.070 -14.088 -12.782 107 HH12 ARG 13 2HH1 ARG 13 1.211 -14.899 -13.631 108 HH21 ARG 13 1HH2 ARG 13 1.323 -17.647 -11.461 109 HH22 ARG 13 2HH2 ARG 13 1.996 -16.912 -12.886 110 H ILE 14 H ILE 14 -2.860 -11.552 -6.642 111 HA ILE 14 HA ILE 14 -5.152 -9.927 -7.234 112 HB ILE 14 HB ILE 14 -3.414 -9.983 -4.712 113 HG12 ILE 14 2HG1 ILE 14 -5.998 -11.496 -5.352 114 HG13 ILE 14 3HG1 ILE 14 -4.397 -12.212 -5.220 115 HG21 ILE 14 1HG2 ILE 14 -5.367 -8.983 -3.562 116 HG22 ILE 14 2HG2 ILE 14 -6.230 -8.886 -5.098 117 HG23 ILE 14 3HG2 ILE 14 -4.773 -7.927 -4.845 118 HD11 ILE 14 1HD1 ILE 14 -5.712 -12.653 -3.251 119 HD12 ILE 14 2HD1 ILE 14 -5.954 -10.929 -2.984 120 HD13 ILE 14 3HD1 ILE 14 -4.337 -11.626 -2.845 121 H LEU 15 H LEU 15 -1.680 -9.296 -6.592 122 HA LEU 15 HA LEU 15 -1.677 -6.512 -6.388 123 HB2 LEU 15 2HB LEU 15 0.507 -8.332 -7.469 124 HB3 LEU 15 3HB LEU 15 0.756 -6.643 -7.062 125 HG LEU 15 HG LEU 15 0.025 -8.847 -5.090 126 HD11 LEU 15 1HD1 LEU 15 2.298 -8.544 -4.193 127 HD12 LEU 15 2HD1 LEU 15 2.654 -7.362 -5.454 128 HD13 LEU 15 3HD1 LEU 15 2.342 -9.045 -5.884 129 HD21 LEU 15 1HD2 LEU 15 -0.957 -6.707 -4.395 130 HD22 LEU 15 2HD2 LEU 15 0.607 -5.911 -4.553 131 HD23 LEU 15 3HD2 LEU 15 0.370 -7.154 -3.325 132 H GLU 16 H GLU 16 -1.363 -8.500 -9.313 133 HA GLU 16 HA GLU 16 -0.820 -6.374 -11.146 134 HB2 GLU 16 2HB GLU 16 -1.267 -8.103 -12.899 135 HB3 GLU 16 3HB GLU 16 -0.121 -8.638 -11.677 136 HG2 GLU 16 2HG GLU 16 -1.876 -9.955 -10.575 137 HG3 GLU 16 3HG GLU 16 -3.059 -9.393 -11.751 138 H GLU 17 H GLU 17 -3.796 -7.877 -10.000 139 HA GLU 17 HA GLU 17 -5.607 -6.624 -11.830 140 HB2 GLU 17 2HB GLU 17 -6.047 -7.759 -9.037 141 HB3 GLU 17 3HB GLU 17 -7.336 -7.299 -10.141 142 HG2 GLU 17 2HG GLU 17 -5.279 -9.429 -10.747 143 HG3 GLU 17 3HG GLU 17 -6.846 -9.758 -10.019 144 H LEU 18 H LEU 18 -4.420 -5.871 -8.587 145 HA LEU 18 HA LEU 18 -5.950 -3.543 -8.064 146 HB2 LEU 18 2HB LEU 18 -3.252 -4.407 -6.945 147 HB3 LEU 18 3HB LEU 18 -4.261 -3.136 -6.269 148 HG LEU 18 HG LEU 18 -4.982 -6.092 -6.380 149 HD11 LEU 18 1HD1 LEU 18 -3.226 -5.620 -4.735 150 HD12 LEU 18 2HD1 LEU 18 -4.736 -6.064 -3.947 151 HD13 LEU 18 3HD1 LEU 18 -4.236 -4.372 -3.999 152 HD21 LEU 18 1HD2 LEU 18 -6.512 -3.804 -5.132 153 HD22 LEU 18 2HD2 LEU 18 -6.935 -5.517 -5.047 154 HD23 LEU 18 3HD2 LEU 18 -6.967 -4.679 -6.596 155 H LEU 19 H LEU 19 -2.912 -4.112 -9.704 156 HA LEU 19 HA LEU 19 -1.903 -1.527 -10.015 157 HB2 LEU 19 2HB LEU 19 -0.638 -3.547 -10.608 158 HB3 LEU 19 3HB LEU 19 -1.780 -3.922 -11.888 159 HG LEU 19 HG LEU 19 -1.047 -1.857 -13.114 160 HD11 LEU 19 1HD1 LEU 19 1.013 -0.693 -12.433 161 HD12 LEU 19 2HD1 LEU 19 1.043 -1.616 -10.927 162 HD13 LEU 19 3HD1 LEU 19 -0.280 -0.492 -11.252 163 HD21 LEU 19 1HD2 LEU 19 1.119 -2.732 -13.869 164 HD22 LEU 19 2HD2 LEU 19 -0.063 -4.026 -13.681 165 HD23 LEU 19 3HD2 LEU 19 1.194 -3.798 -12.461 166 H GLU 20 H GLU 20 -4.161 -3.379 -12.046 167 HA GLU 20 HA GLU 20 -4.670 -1.423 -14.018 168 HB2 GLU 20 2HB GLU 20 -6.487 -3.671 -13.063 169 HB3 GLU 20 3HB GLU 20 -6.685 -2.771 -14.564 170 HG2 GLU 20 2HG GLU 20 -4.534 -3.682 -15.387 171 HG3 GLU 20 3HG GLU 20 -4.351 -4.594 -13.886 172 H VAL 21 H VAL 21 -6.138 -2.033 -10.860 173 HA VAL 21 HA VAL 21 -8.441 -0.415 -11.097 174 HB VAL 21 HB VAL 21 -6.865 -1.207 -8.598 175 HG11 VAL 21 1HG1 VAL 21 -9.672 -0.039 -8.750 176 HG12 VAL 21 2HG1 VAL 21 -8.245 0.756 -8.080 177 HG13 VAL 21 3HG1 VAL 21 -8.900 -0.679 -7.296 178 HG21 VAL 21 1HG2 VAL 21 -7.754 -3.132 -9.847 179 HG22 VAL 21 2HG2 VAL 21 -9.374 -2.433 -9.811 180 HG23 VAL 21 3HG2 VAL 21 -8.597 -2.943 -8.310 181 H VAL 22 H VAL 22 -5.122 0.342 -9.991 182 HA VAL 22 HA VAL 22 -5.553 3.071 -9.319 183 HB VAL 22 HB VAL 22 -2.951 1.891 -10.417 184 HG11 VAL 22 1HG1 VAL 22 -2.958 4.353 -10.380 185 HG12 VAL 22 2HG1 VAL 22 -1.854 3.731 -9.159 186 HG13 VAL 22 3HG1 VAL 22 -3.431 4.349 -8.680 187 HG21 VAL 22 1HG2 VAL 22 -2.280 1.486 -8.077 188 HG22 VAL 22 2HG2 VAL 22 -3.709 0.547 -8.506 189 HG23 VAL 22 3HG2 VAL 22 -3.875 2.002 -7.522 190 H LEU 23 H LEU 23 -4.580 1.450 -12.331 191 HA LEU 23 HA LEU 23 -4.107 3.733 -13.924 192 HB2 LEU 23 2HB LEU 23 -4.947 0.940 -14.798 193 HB3 LEU 23 3HB LEU 23 -4.273 2.170 -15.858 194 HG LEU 23 HG LEU 23 -2.822 0.781 -13.568 195 HD11 LEU 23 1HD1 LEU 23 -3.091 -0.670 -15.510 196 HD12 LEU 23 2HD1 LEU 23 -1.403 -0.207 -15.315 197 HD13 LEU 23 3HD1 LEU 23 -2.387 0.561 -16.562 198 HD21 LEU 23 1HD2 LEU 23 -1.755 2.928 -15.433 199 HD22 LEU 23 2HD2 LEU 23 -0.793 1.990 -14.284 200 HD23 LEU 23 3HD2 LEU 23 -2.040 3.088 -13.696 201 H LYS 24 H LYS 24 -7.086 2.057 -13.119 202 HA LYS 24 HA LYS 24 -8.763 3.320 -15.103 203 HB2 LYS 24 2HB LYS 24 -9.480 1.840 -12.520 204 HB3 LYS 24 3HB LYS 24 -10.655 2.396 -13.704 205 HG2 LYS 24 2HG LYS 24 -8.520 0.302 -14.170 206 HG3 LYS 24 3HG LYS 24 -10.239 0.004 -13.932 207 HD2 LYS 24 2HD LYS 24 -10.709 1.299 -16.024 208 HD3 LYS 24 3HD LYS 24 -8.969 1.473 -16.274 209 HE2 LYS 24 2HE LYS 24 -10.537 -1.127 -16.227 210 HE3 LYS 24 3HE LYS 24 -9.824 -0.355 -17.643 211 HZ1 LYS 24 1HZ LYS 24 -7.629 -0.659 -16.568 212 HZ2 LYS 24 2HZ LYS 24 -8.411 -2.109 -16.936 213 HZ3 LYS 24 3HZ LYS 24 -8.382 -1.550 -15.343 214 H SER 25 H SER 25 -8.007 3.847 -11.673 215 HA SER 25 HA SER 25 -10.054 5.837 -11.263 216 HB2 SER 25 2HB SER 25 -7.759 4.958 -9.464 217 HB3 SER 25 3HB SER 25 -9.119 5.970 -8.969 218 HG SER 25 HG SER 25 -9.007 3.238 -9.460 219 H ASP 26 H ASP 26 -6.472 5.966 -11.019 220 HA ASP 26 HA ASP 26 -6.355 8.512 -12.379 221 HB2 ASP 26 2HB ASP 26 -6.875 9.202 -10.045 222 HB3 ASP 26 3HB ASP 26 -5.462 8.327 -9.462 223 HA PRO 27 HA PRO 27 -2.568 6.143 -13.348 224 HB2 PRO 27 2HB PRO 27 -2.222 7.801 -15.734 225 HB3 PRO 27 3HB PRO 27 -2.807 6.133 -15.628 226 HG2 PRO 27 2HG PRO 27 -4.383 8.252 -16.396 227 HG3 PRO 27 3HG PRO 27 -5.016 6.745 -15.696 228 HD2 PRO 27 2HD PRO 27 -4.506 9.393 -14.342 229 HD3 PRO 27 3HD PRO 27 -5.883 8.276 -14.169 230 H ASN 28 H ASN 28 -2.874 9.412 -12.507 231 HA ASN 28 HA ASN 28 -0.157 10.298 -12.988 232 HB2 ASN 28 2HB ASN 28 -2.322 11.576 -11.254 233 HB3 ASN 28 3HB ASN 28 -0.834 12.351 -11.785 234 HD21 ASN 28 1HD2 ASN 28 -3.995 11.262 -12.754 235 HD22 ASN 28 2HD2 ASN 28 -4.026 12.060 -14.286 236 H VAL 29 H VAL 29 -1.909 8.713 -10.435 237 HA VAL 29 HA VAL 29 0.035 8.833 -8.371 238 HB VAL 29 HB VAL 29 -1.968 6.610 -9.033 239 HG11 VAL 29 1HG1 VAL 29 -0.206 5.734 -7.561 240 HG12 VAL 29 2HG1 VAL 29 -1.721 5.889 -6.671 241 HG13 VAL 29 3HG1 VAL 29 -0.439 7.080 -6.442 242 HG21 VAL 29 1HG2 VAL 29 -3.339 7.669 -7.221 243 HG22 VAL 29 2HG2 VAL 29 -3.127 8.690 -8.639 244 HG23 VAL 29 3HG2 VAL 29 -2.188 9.001 -7.182 245 H LYS 30 H LYS 30 1.939 7.794 -8.166 246 HA LYS 30 HA LYS 30 3.055 6.222 -10.325 247 HB2 LYS 30 2HB LYS 30 4.434 7.847 -9.083 248 HB3 LYS 30 3HB LYS 30 4.151 6.985 -7.576 249 HG2 LYS 30 2HG LYS 30 6.396 6.543 -8.475 250 HG3 LYS 30 3HG LYS 30 5.432 5.063 -8.403 251 HD2 LYS 30 2HD LYS 30 4.937 5.281 -10.830 252 HD3 LYS 30 3HD LYS 30 5.924 6.744 -10.893 253 HE2 LYS 30 2HE LYS 30 7.918 5.442 -10.298 254 HE3 LYS 30 3HE LYS 30 6.936 3.980 -10.153 255 HZ1 LYS 30 1HZ LYS 30 8.060 4.069 -12.277 256 HZ2 LYS 30 2HZ LYS 30 7.338 5.553 -12.642 257 HZ3 LYS 30 3HZ LYS 30 6.388 4.163 -12.504 258 H THR 31 H THR 31 3.215 3.966 -10.384 259 HA THR 31 HA THR 31 2.549 2.429 -7.918 260 HB THR 31 HB THR 31 1.685 0.628 -9.482 261 HG1 THR 31 HG1 THR 31 2.279 1.021 -11.488 262 HG21 THR 31 1HG2 THR 31 0.100 2.090 -8.294 263 HG22 THR 31 2HG2 THR 31 -0.502 1.673 -9.898 264 HG23 THR 31 3HG2 THR 31 0.193 3.268 -9.605 265 H VAL 32 H VAL 32 3.926 0.843 -7.359 266 HA VAL 32 HA VAL 32 6.100 0.014 -9.184 267 HB VAL 32 HB VAL 32 6.584 0.861 -6.274 268 HG11 VAL 32 1HG1 VAL 32 8.580 0.040 -8.423 269 HG12 VAL 32 2HG1 VAL 32 8.092 -0.935 -7.035 270 HG13 VAL 32 3HG1 VAL 32 8.979 0.566 -6.788 271 HG21 VAL 32 1HG2 VAL 32 6.135 2.865 -7.607 272 HG22 VAL 32 2HG2 VAL 32 7.324 2.373 -8.812 273 HG23 VAL 32 3HG2 VAL 32 7.846 2.803 -7.183 274 H ARG 33 H ARG 33 5.813 -2.158 -9.322 275 HA ARG 33 HA ARG 33 4.819 -3.670 -6.977 276 HB2 ARG 33 2HB ARG 33 3.549 -4.014 -9.090 277 HB3 ARG 33 3HB ARG 33 5.025 -4.539 -9.900 278 HG2 ARG 33 2HG ARG 33 5.175 -6.477 -8.332 279 HG3 ARG 33 3HG ARG 33 3.664 -5.962 -7.576 280 HD2 ARG 33 2HD ARG 33 3.333 -7.798 -9.209 281 HD3 ARG 33 3HD ARG 33 2.448 -6.336 -9.667 282 HE ARG 33 HE ARG 33 4.930 -6.245 -10.946 283 HH11 ARG 33 1HH1 ARG 33 2.058 -8.283 -11.087 284 HH12 ARG 33 2HH1 ARG 33 2.301 -8.709 -12.747 285 HH21 ARG 33 1HH2 ARG 33 5.238 -6.812 -13.095 286 HH22 ARG 33 2HH2 ARG 33 4.116 -7.868 -13.891 287 H THR 34 H THR 34 6.638 -3.838 -5.787 288 HA THR 34 HA THR 34 9.047 -5.125 -6.936 289 HB THR 34 HB THR 34 9.563 -2.796 -6.442 290 HG1 THR 34 HG1 THR 34 11.307 -3.965 -5.904 291 HG21 THR 34 1HG2 THR 34 9.366 -1.823 -4.182 292 HG22 THR 34 2HG2 THR 34 8.557 -3.283 -3.614 293 HG23 THR 34 3HG2 THR 34 7.786 -2.265 -4.832 294 H ASP 35 H ASP 35 10.402 -6.074 -5.046 295 HA ASP 35 HA ASP 35 8.710 -7.381 -2.989 296 HB2 ASP 35 2HB ASP 35 9.274 -9.015 -4.723 297 HB3 ASP 35 3HB ASP 35 10.979 -8.585 -4.631 298 H ASP 36 H ASP 36 11.617 -5.680 -3.817 299 HA ASP 36 HA ASP 36 13.080 -6.329 -1.407 300 HB2 ASP 36 2HB ASP 36 14.103 -5.887 -3.725 301 HB3 ASP 36 3HB ASP 36 13.766 -4.181 -3.464 302 H LYS 37 H LYS 37 13.093 -5.210 0.383 303 HA LYS 37 HA LYS 37 11.146 -3.358 1.124 304 HB2 LYS 37 2HB LYS 37 12.156 -3.361 3.318 305 HB3 LYS 37 3HB LYS 37 12.293 -4.984 2.672 306 HG2 LYS 37 2HG LYS 37 14.534 -2.939 2.834 307 HG3 LYS 37 3HG LYS 37 14.323 -4.318 3.911 308 HD2 LYS 37 2HD LYS 37 14.847 -5.879 2.139 309 HD3 LYS 37 3HD LYS 37 14.732 -4.613 0.917 310 HE2 LYS 37 2HE LYS 37 16.728 -3.501 2.034 311 HE3 LYS 37 3HE LYS 37 16.914 -4.977 2.988 312 HZ1 LYS 37 1HZ LYS 37 17.170 -6.227 0.941 313 HZ2 LYS 37 2HZ LYS 37 18.309 -4.979 1.011 314 HZ3 LYS 37 3HZ LYS 37 16.950 -4.822 0.018 315 H GLU 38 H GLU 38 14.542 -2.794 0.181 316 HA GLU 38 HA GLU 38 14.576 -0.054 1.121 317 HB2 GLU 38 2HB GLU 38 16.862 0.009 0.544 318 HB3 GLU 38 3HB GLU 38 16.603 -1.663 1.012 319 HG2 GLU 38 2HG GLU 38 16.365 -2.179 -1.487 320 HG3 GLU 38 3HG GLU 38 16.961 -0.554 -1.776 321 H LYS 39 H LYS 39 14.060 -1.768 -1.903 322 HA LYS 39 HA LYS 39 14.127 0.395 -3.703 323 HB2 LYS 39 2HB LYS 39 14.119 -1.935 -4.474 324 HB3 LYS 39 3HB LYS 39 12.497 -2.178 -3.836 325 HG2 LYS 39 2HG LYS 39 12.492 -1.900 -6.293 326 HG3 LYS 39 3HG LYS 39 11.568 -0.625 -5.498 327 HD2 LYS 39 2HD LYS 39 13.459 0.940 -5.791 328 HD3 LYS 39 3HD LYS 39 14.420 -0.340 -6.536 329 HE2 LYS 39 2HE LYS 39 12.889 -0.439 -8.437 330 HE3 LYS 39 3HE LYS 39 11.805 0.727 -7.665 331 HZ1 LYS 39 1HZ LYS 39 13.464 2.418 -7.843 332 HZ2 LYS 39 2HZ LYS 39 13.284 1.705 -9.367 333 HZ3 LYS 39 3HZ LYS 39 14.616 1.317 -8.408 334 H VAL 40 H VAL 40 11.469 -0.947 -1.739 335 HA VAL 40 HA VAL 40 9.357 0.673 -2.562 336 HB VAL 40 HB VAL 40 9.883 -0.243 0.308 337 HG11 VAL 40 1HG1 VAL 40 7.414 -0.142 0.556 338 HG12 VAL 40 2HG1 VAL 40 7.282 0.518 -1.074 339 HG13 VAL 40 3HG1 VAL 40 8.108 1.437 0.185 340 HG21 VAL 40 1HG2 VAL 40 8.403 -1.741 -1.890 341 HG22 VAL 40 2HG2 VAL 40 8.544 -2.248 -0.205 342 HG23 VAL 40 3HG2 VAL 40 9.980 -2.171 -1.224 343 H LYS 41 H LYS 41 11.795 1.220 -0.041 344 HA LYS 41 HA LYS 41 10.866 3.724 0.917 345 HB2 LYS 41 2HB LYS 41 13.607 2.413 1.127 346 HB3 LYS 41 3HB LYS 41 13.081 3.794 2.090 347 HG2 LYS 41 2HG LYS 41 11.416 2.477 3.231 348 HG3 LYS 41 3HG LYS 41 11.653 1.114 2.129 349 HD2 LYS 41 2HD LYS 41 13.976 0.846 2.998 350 HD3 LYS 41 3HD LYS 41 13.692 2.172 4.131 351 HE2 LYS 41 2HE LYS 41 11.945 0.879 5.255 352 HE3 LYS 41 3HE LYS 41 12.110 -0.423 4.073 353 HZ1 LYS 41 1HZ LYS 41 14.228 0.463 5.957 354 HZ2 LYS 41 2HZ LYS 41 14.352 -0.813 4.852 355 HZ3 LYS 41 3HZ LYS 41 13.261 -0.911 6.137 356 H GLU 42 H GLU 42 13.137 2.847 -1.642 357 HA GLU 42 HA GLU 42 14.186 5.387 -2.285 358 HB2 GLU 42 2HB GLU 42 13.547 3.011 -4.100 359 HB3 GLU 42 3HB GLU 42 14.446 4.424 -4.635 360 HG2 GLU 42 2HG GLU 42 15.334 2.588 -2.396 361 HG3 GLU 42 3HG GLU 42 15.857 2.440 -4.069 362 H GLU 43 H GLU 43 11.322 3.661 -3.445 363 HA GLU 43 HA GLU 43 10.445 5.691 -5.243 364 HB2 GLU 43 2HB GLU 43 8.917 3.314 -4.131 365 HB3 GLU 43 3HB GLU 43 8.482 4.252 -5.554 366 HG2 GLU 43 2HG GLU 43 10.905 2.476 -5.231 367 HG3 GLU 43 3HG GLU 43 9.484 2.156 -6.212 368 H ILE 44 H ILE 44 9.744 4.978 -1.867 369 HA ILE 44 HA ILE 44 7.413 6.473 -1.440 370 HB ILE 44 HB ILE 44 9.765 5.878 0.424 371 HG12 ILE 44 2HG1 ILE 44 6.912 4.770 0.354 372 HG13 ILE 44 3HG1 ILE 44 8.357 3.928 -0.183 373 HG21 ILE 44 1HG2 ILE 44 8.378 6.690 2.335 374 HG22 ILE 44 2HG2 ILE 44 7.193 7.308 1.184 375 HG23 ILE 44 3HG2 ILE 44 8.820 7.984 1.219 376 HD11 ILE 44 1HD1 ILE 44 7.716 4.722 2.653 377 HD12 ILE 44 2HD1 ILE 44 9.194 3.915 2.123 378 HD13 ILE 44 3HD1 ILE 44 7.638 3.102 1.960 379 H GLU 45 H GLU 45 10.842 7.438 -1.086 380 HA GLU 45 HA GLU 45 10.439 10.157 -0.522 381 HB2 GLU 45 2HB GLU 45 12.837 8.836 -1.853 382 HB3 GLU 45 3HB GLU 45 12.818 10.470 -1.193 383 HG2 GLU 45 2HG GLU 45 12.311 9.474 1.066 384 HG3 GLU 45 3HG GLU 45 12.547 7.877 0.348 385 H LYS 46 H LYS 46 11.062 8.500 -3.617 386 HA LYS 46 HA LYS 46 11.397 10.716 -5.280 387 HB2 LYS 46 2HB LYS 46 10.401 7.904 -5.854 388 HB3 LYS 46 3HB LYS 46 10.656 9.084 -7.137 389 HG2 LYS 46 2HG LYS 46 13.018 9.186 -6.706 390 HG3 LYS 46 3HG LYS 46 12.844 8.278 -5.200 391 HD2 LYS 46 2HD LYS 46 13.760 6.864 -7.020 392 HD3 LYS 46 3HD LYS 46 12.207 6.266 -6.435 393 HE2 LYS 46 2HE LYS 46 11.085 7.313 -8.388 394 HE3 LYS 46 3HE LYS 46 12.655 7.867 -8.979 395 HZ1 LYS 46 1HZ LYS 46 11.844 5.037 -8.587 396 HZ2 LYS 46 2HZ LYS 46 13.355 5.558 -9.133 397 HZ3 LYS 46 3HZ LYS 46 11.979 5.839 -10.069 398 H ALA 47 H ALA 47 8.382 8.762 -4.967 399 HA ALA 47 HA ALA 47 6.787 10.418 -6.602 400 HB1 ALA 47 1HB ALA 47 4.881 9.148 -5.710 401 HB2 ALA 47 2HB ALA 47 5.904 8.495 -4.423 402 HB3 ALA 47 3HB ALA 47 6.229 8.084 -6.110 403 H ARG 48 H ARG 48 7.202 10.307 -3.087 404 HA ARG 48 HA ARG 48 5.410 12.192 -2.138 405 HB2 ARG 48 2HB ARG 48 6.776 10.828 -0.669 406 HB3 ARG 48 3HB ARG 48 8.256 11.531 -1.305 407 HG2 ARG 48 2HG ARG 48 7.514 13.743 -0.286 408 HG3 ARG 48 3HG ARG 48 6.218 12.846 0.513 409 HD2 ARG 48 2HD ARG 48 7.958 11.369 1.550 410 HD3 ARG 48 3HD ARG 48 9.204 12.396 0.837 411 HE ARG 48 HE ARG 48 7.398 13.054 3.043 412 HH11 ARG 48 1HH1 ARG 48 10.002 14.096 0.967 413 HH12 ARG 48 2HH1 ARG 48 10.460 15.414 1.986 414 HH21 ARG 48 1HH2 ARG 48 7.992 14.766 4.400 415 HH22 ARG 48 2HH2 ARG 48 9.310 15.803 3.951 416 H LYS 49 H LYS 49 8.742 12.742 -3.263 417 HA LYS 49 HA LYS 49 8.629 15.599 -2.807 418 HB2 LYS 49 2HB LYS 49 10.836 13.828 -3.950 419 HB3 LYS 49 3HB LYS 49 11.019 15.539 -3.560 420 HG2 LYS 49 2HG LYS 49 10.723 15.144 -1.204 421 HG3 LYS 49 3HG LYS 49 10.174 13.490 -1.485 422 HD2 LYS 49 2HD LYS 49 12.473 12.910 -2.314 423 HD3 LYS 49 3HD LYS 49 12.999 14.546 -1.905 424 HE2 LYS 49 2HE LYS 49 12.446 14.139 0.470 425 HE3 LYS 49 3HE LYS 49 11.884 12.514 0.064 426 HZ1 LYS 49 1HZ LYS 49 14.144 11.995 -0.687 427 HZ2 LYS 49 2HZ LYS 49 14.094 12.427 0.941 428 HZ3 LYS 49 3HZ LYS 49 14.660 13.536 -0.205 429 H GLN 50 H GLN 50 8.111 13.473 -5.511 430 HA GLN 50 HA GLN 50 8.204 15.466 -7.592 431 HB2 GLN 50 2HB GLN 50 6.802 12.763 -7.423 432 HB3 GLN 50 3HB GLN 50 6.697 13.796 -8.847 433 HG2 GLN 50 2HG GLN 50 9.128 13.636 -9.173 434 HG3 GLN 50 3HG GLN 50 9.274 12.660 -7.713 435 HE21 GLN 50 1HE2 GLN 50 8.479 10.504 -7.749 436 HE22 GLN 50 2HE2 GLN 50 8.219 9.659 -9.230 437 H GLY 51 H GLY 51 5.888 14.503 -5.147 438 HA2 GLY 51 2HA GLY 51 4.199 15.907 -4.296 439 HA3 GLY 51 3HA GLY 51 4.167 16.801 -5.807 440 H ARG 52 H ARG 52 4.029 13.302 -5.519 441 HA ARG 52 HA ARG 52 1.188 13.247 -6.330 442 HB2 ARG 52 2HB ARG 52 1.754 11.371 -7.937 443 HB3 ARG 52 3HB ARG 52 2.386 12.942 -8.413 444 HG2 ARG 52 2HG ARG 52 4.624 12.340 -7.820 445 HG3 ARG 52 3HG ARG 52 4.085 10.892 -6.966 446 HD2 ARG 52 2HD ARG 52 5.145 10.542 -9.279 447 HD3 ARG 52 3HD ARG 52 3.599 9.745 -8.985 448 HE ARG 52 HE ARG 52 2.519 11.416 -10.331 449 HH11 ARG 52 1HH1 ARG 52 6.020 11.443 -10.635 450 HH12 ARG 52 2HH1 ARG 52 5.995 12.236 -12.172 451 HH21 ARG 52 1HH2 ARG 52 2.496 12.393 -12.354 452 HH22 ARG 52 2HH2 ARG 52 3.984 12.782 -13.153 453 HA PRO 53 HA PRO 53 0.947 9.767 -3.414 454 HB2 PRO 53 2HB PRO 53 -1.082 8.404 -5.107 455 HB3 PRO 53 3HB PRO 53 -1.285 9.177 -3.522 456 HG2 PRO 53 2HG PRO 53 -2.349 10.222 -5.789 457 HG3 PRO 53 3HG PRO 53 -1.823 11.233 -4.422 458 HD2 PRO 53 2HD PRO 53 -0.381 10.657 -7.009 459 HD3 PRO 53 3HD PRO 53 -0.564 12.193 -6.128 460 H ILE 54 H ILE 54 1.145 7.332 -3.365 461 HA ILE 54 HA ILE 54 2.059 6.058 -5.817 462 HB ILE 54 HB ILE 54 4.116 7.051 -4.905 463 HG12 ILE 54 2HG1 ILE 54 4.244 4.028 -4.554 464 HG13 ILE 54 3HG1 ILE 54 4.091 4.802 -6.127 465 HG21 ILE 54 1HG2 ILE 54 5.136 6.303 -2.781 466 HG22 ILE 54 2HG2 ILE 54 3.697 5.347 -2.422 467 HG23 ILE 54 3HG2 ILE 54 3.587 7.105 -2.501 468 HD11 ILE 54 1HD1 ILE 54 6.220 5.945 -5.766 469 HD12 ILE 54 2HD1 ILE 54 6.369 4.191 -5.681 470 HD13 ILE 54 3HD1 ILE 54 6.376 5.144 -4.199 471 H VAL 55 H VAL 55 1.510 3.987 -5.920 472 HA VAL 55 HA VAL 55 0.570 2.551 -3.519 473 HB VAL 55 HB VAL 55 -0.264 2.065 -6.431 474 HG11 VAL 55 1HG1 VAL 55 -0.371 0.032 -5.046 475 HG12 VAL 55 2HG1 VAL 55 -1.989 0.583 -5.478 476 HG13 VAL 55 3HG1 VAL 55 -1.364 0.879 -3.853 477 HG21 VAL 55 1HG2 VAL 55 -1.166 4.219 -5.630 478 HG22 VAL 55 2HG2 VAL 55 -1.867 3.416 -4.224 479 HG23 VAL 55 3HG2 VAL 55 -2.454 3.032 -5.845 480 H ILE 56 H ILE 56 2.199 1.306 -2.892 481 HA ILE 56 HA ILE 56 4.060 0.026 -4.775 482 HB ILE 56 HB ILE 56 4.077 0.011 -1.706 483 HG12 ILE 56 2HG1 ILE 56 4.478 2.313 -2.756 484 HG13 ILE 56 3HG1 ILE 56 5.770 1.716 -1.726 485 HG21 ILE 56 1HG2 ILE 56 6.404 -0.826 -1.948 486 HG22 ILE 56 2HG2 ILE 56 6.201 -0.899 -3.697 487 HG23 ILE 56 3HG2 ILE 56 5.230 -1.936 -2.652 488 HD11 ILE 56 1HD1 ILE 56 6.633 2.821 -3.704 489 HD12 ILE 56 2HD1 ILE 56 5.773 1.686 -4.741 490 HD13 ILE 56 3HD1 ILE 56 7.079 1.116 -3.701 491 H PHE 57 H PHE 57 3.716 -2.058 -5.338 492 HA PHE 57 HA PHE 57 1.942 -3.808 -3.735 493 HB2 PHE 57 2HB PHE 57 2.978 -4.214 -6.586 494 HB3 PHE 57 3HB PHE 57 1.734 -5.153 -5.776 495 HD1 PHE 57 HD1 PHE 57 -0.480 -4.012 -5.199 496 HD2 PHE 57 HD2 PHE 57 2.412 -2.244 -7.814 497 HE1 PHE 57 HE1 PHE 57 -2.198 -2.512 -6.105 498 HE2 PHE 57 HE2 PHE 57 0.677 -0.754 -8.713 499 HZ PHE 57 HZ PHE 57 -1.626 -0.884 -7.859 500 H ILE 58 H ILE 58 3.264 -4.787 -2.231 501 HA ILE 58 HA ILE 58 5.948 -5.691 -3.008 502 HB ILE 58 HB ILE 58 4.920 -5.898 -0.148 503 HG12 ILE 58 2HG1 ILE 58 6.214 -3.384 -1.325 504 HG13 ILE 58 3HG1 ILE 58 4.515 -3.522 -0.898 505 HG21 ILE 58 1HG2 ILE 58 7.343 -5.689 0.379 506 HG22 ILE 58 2HG2 ILE 58 7.709 -5.486 -1.335 507 HG23 ILE 58 3HG2 ILE 58 7.054 -7.017 -0.749 508 HD11 ILE 58 1HD1 ILE 58 5.118 -3.822 1.449 509 HD12 ILE 58 2HD1 ILE 58 5.765 -2.320 0.789 510 HD13 ILE 58 3HD1 ILE 58 6.830 -3.704 1.027 511 H ARG 59 H ARG 59 6.335 -7.781 -3.387 512 HA ARG 59 HA ARG 59 4.282 -9.761 -3.377 513 HB2 ARG 59 2HB ARG 59 6.087 -9.794 -5.037 514 HB3 ARG 59 3HB ARG 59 7.301 -9.966 -3.775 515 HG2 ARG 59 2HG ARG 59 6.352 -12.198 -3.204 516 HG3 ARG 59 3HG ARG 59 5.197 -12.024 -4.528 517 HD2 ARG 59 2HD ARG 59 7.043 -13.407 -5.257 518 HD3 ARG 59 3HD ARG 59 7.110 -11.872 -6.127 519 HE ARG 59 HE ARG 59 8.736 -11.542 -3.936 520 HH11 ARG 59 1HH1 ARG 59 8.700 -13.787 -6.645 521 HH12 ARG 59 2HH1 ARG 59 10.421 -14.006 -6.637 522 HH21 ARG 59 1HH2 ARG 59 10.995 -11.857 -3.941 523 HH22 ARG 59 2HH2 ARG 59 11.708 -12.919 -5.113 524 H GLY 60 H GLY 60 3.493 -10.358 -1.427 525 HA2 GLY 60 2HA GLY 60 3.295 -11.472 0.555 526 HA3 GLY 60 3HA GLY 60 4.637 -12.430 -0.027 527 H ALA 61 H ALA 61 4.556 -9.022 1.039 528 HA ALA 61 HA ALA 61 6.943 -9.286 2.596 529 HB1 ALA 61 1HB ALA 61 6.368 -7.188 1.496 530 HB2 ALA 61 2HB ALA 61 6.520 -6.934 3.232 531 HB3 ALA 61 3HB ALA 61 4.920 -7.026 2.488 532 H THR 62 H THR 62 7.026 -10.252 4.532 533 HA THR 62 HA THR 62 4.736 -10.545 6.289 534 HB THR 62 HB THR 62 6.392 -12.366 6.042 535 HG1 THR 62 HG1 THR 62 5.259 -12.296 7.981 536 HG21 THR 62 1HG2 THR 62 8.355 -10.506 7.431 537 HG22 THR 62 2HG2 THR 62 8.458 -11.046 5.754 538 HG23 THR 62 3HG2 THR 62 8.627 -12.213 7.066 539 H GLU 63 H GLU 63 5.400 -10.074 8.789 540 HA GLU 63 HA GLU 63 4.781 -7.425 9.131 541 HB2 GLU 63 2HB GLU 63 4.433 -9.203 10.846 542 HB3 GLU 63 3HB GLU 63 6.162 -9.187 11.189 543 HG2 GLU 63 2HG GLU 63 5.761 -6.606 11.655 544 HG3 GLU 63 3HG GLU 63 4.078 -7.093 11.838 545 H GLU 64 H GLU 64 7.998 -8.870 9.748 546 HA GLU 64 HA GLU 64 9.372 -6.674 10.717 547 HB2 GLU 64 2HB GLU 64 11.458 -7.867 9.932 548 HB3 GLU 64 3HB GLU 64 10.339 -8.867 10.856 549 HG2 GLU 64 2HG GLU 64 9.479 -9.857 8.759 550 HG3 GLU 64 3HG GLU 64 10.599 -8.867 7.831 551 H VAL 65 H VAL 65 8.650 -7.406 7.377 552 HA VAL 65 HA VAL 65 10.363 -5.365 6.238 553 HB VAL 65 HB VAL 65 8.096 -6.972 4.951 554 HG11 VAL 65 1HG1 VAL 65 10.328 -5.400 3.612 555 HG12 VAL 65 2HG1 VAL 65 8.617 -4.973 3.634 556 HG13 VAL 65 3HG1 VAL 65 9.150 -6.424 2.787 557 HG21 VAL 65 1HG2 VAL 65 9.835 -8.472 5.826 558 HG22 VAL 65 2HG2 VAL 65 11.080 -7.576 4.955 559 HG23 VAL 65 3HG2 VAL 65 9.849 -8.469 4.061 560 H VAL 66 H VAL 66 6.804 -5.847 6.583 561 HA VAL 66 HA VAL 66 6.047 -3.466 5.277 562 HB VAL 66 HB VAL 66 4.371 -4.979 7.327 563 HG11 VAL 66 1HG1 VAL 66 3.404 -2.791 6.743 564 HG12 VAL 66 2HG1 VAL 66 2.417 -4.092 6.081 565 HG13 VAL 66 3HG1 VAL 66 3.497 -3.181 5.023 566 HG21 VAL 66 1HG2 VAL 66 4.572 -5.496 4.340 567 HG22 VAL 66 2HG2 VAL 66 3.468 -6.298 5.461 568 HG23 VAL 66 3HG2 VAL 66 5.208 -6.535 5.619 569 H ARG 67 H ARG 67 6.138 -4.225 8.784 570 HA ARG 67 HA ARG 67 5.155 -1.831 9.809 571 HB2 ARG 67 2HB ARG 67 6.077 -2.481 11.965 572 HB3 ARG 67 3HB ARG 67 5.503 -3.929 11.152 573 HG2 ARG 67 2HG ARG 67 7.832 -4.505 10.525 574 HG3 ARG 67 3HG ARG 67 8.405 -3.048 11.332 575 HD2 ARG 67 2HD ARG 67 6.971 -5.349 12.705 576 HD3 ARG 67 3HD ARG 67 8.718 -5.097 12.694 577 HE ARG 67 HE ARG 67 7.747 -2.758 13.698 578 HH11 ARG 67 1HH1 ARG 67 7.334 -6.125 14.650 579 HH12 ARG 67 2HH1 ARG 67 7.122 -5.755 16.332 580 HH21 ARG 67 1HH2 ARG 67 7.467 -2.279 15.909 581 HH22 ARG 67 2HH2 ARG 67 7.193 -3.563 17.045 582 H ASP 68 H ASP 68 8.383 -2.618 8.728 583 HA ASP 68 HA ASP 68 9.729 -0.388 9.972 584 HB2 ASP 68 2HB ASP 68 10.729 -2.695 9.545 585 HB3 ASP 68 3HB ASP 68 10.776 -2.299 7.830 586 H ILE 69 H ILE 69 8.525 -1.247 6.783 587 HA ILE 69 HA ILE 69 9.463 1.060 5.371 588 HB ILE 69 HB ILE 69 7.257 -0.957 4.745 589 HG12 ILE 69 2HG1 ILE 69 10.091 -0.688 3.606 590 HG13 ILE 69 3HG1 ILE 69 9.582 -1.886 4.790 591 HG21 ILE 69 1HG2 ILE 69 7.258 -0.095 2.435 592 HG22 ILE 69 2HG2 ILE 69 8.383 1.180 2.903 593 HG23 ILE 69 3HG2 ILE 69 6.756 1.148 3.582 594 HD11 ILE 69 1HD1 ILE 69 9.731 -2.863 2.595 595 HD12 ILE 69 2HD1 ILE 69 8.599 -1.676 1.949 596 HD13 ILE 69 3HD1 ILE 69 8.056 -2.860 3.142 597 H VAL 70 H VAL 70 6.470 0.267 7.096 598 HA VAL 70 HA VAL 70 4.887 2.476 6.274 599 HB VAL 70 HB VAL 70 4.673 0.621 8.693 600 HG11 VAL 70 1HG1 VAL 70 2.640 2.720 7.827 601 HG12 VAL 70 2HG1 VAL 70 3.587 2.741 9.315 602 HG13 VAL 70 3HG1 VAL 70 2.379 1.484 9.061 603 HG21 VAL 70 1HG2 VAL 70 3.046 0.758 6.118 604 HG22 VAL 70 2HG2 VAL 70 2.791 -0.384 7.439 605 HG23 VAL 70 3HG2 VAL 70 4.281 -0.444 6.501 606 H GLU 71 H GLU 71 6.821 1.901 9.255 607 HA GLU 71 HA GLU 71 6.337 4.455 10.393 608 HB2 GLU 71 2HB GLU 71 8.170 3.938 11.967 609 HB3 GLU 71 3HB GLU 71 7.034 2.612 11.796 610 HG2 GLU 71 2HG GLU 71 8.950 1.380 11.734 611 HG3 GLU 71 3HG GLU 71 8.853 1.756 10.023 612 H TYR 72 H TYR 72 8.666 3.356 8.023 613 HA TYR 72 HA TYR 72 10.380 5.618 8.021 614 HB2 TYR 72 2HB TYR 72 11.021 3.496 6.924 615 HB3 TYR 72 3HB TYR 72 9.724 3.688 5.746 616 HD1 TYR 72 HD1 TYR 72 12.857 5.308 7.001 617 HD2 TYR 72 HD2 TYR 72 10.115 4.954 3.734 618 HE1 TYR 72 HE1 TYR 72 14.324 6.695 5.613 619 HE2 TYR 72 HE2 TYR 72 11.593 6.333 2.337 620 HH TYR 72 HH TYR 72 13.374 8.104 2.764 621 H ALA 73 H ALA 73 7.471 4.811 6.125 622 HA ALA 73 HA ALA 73 7.383 7.178 4.562 623 HB1 ALA 73 1HB ALA 73 6.193 5.136 3.927 624 HB2 ALA 73 2HB ALA 73 5.067 6.488 4.046 625 HB3 ALA 73 3HB ALA 73 5.142 5.286 5.336 626 H GLN 74 H GLN 74 6.335 6.438 7.808 627 HA GLN 74 HA GLN 74 4.852 8.891 8.250 628 HB2 GLN 74 2HB GLN 74 5.921 6.829 10.216 629 HB3 GLN 74 3HB GLN 74 4.801 8.134 10.613 630 HG2 GLN 74 2HG GLN 74 3.153 7.158 9.016 631 HG3 GLN 74 3HG GLN 74 4.259 5.817 8.734 632 HE21 GLN 74 1HE2 GLN 74 2.143 7.339 11.005 633 HE22 GLN 74 2HE2 GLN 74 2.013 6.004 12.073 634 H LYS 75 H LYS 75 8.193 7.836 8.612 635 HA LYS 75 HA LYS 75 9.157 10.142 10.035 636 HB2 LYS 75 2HB LYS 75 10.549 8.070 8.287 637 HB3 LYS 75 3HB LYS 75 11.427 9.395 9.049 638 HG2 LYS 75 2HG LYS 75 10.910 8.584 11.252 639 HG3 LYS 75 3HG LYS 75 9.775 7.390 10.615 640 HD2 LYS 75 2HD LYS 75 11.612 6.143 9.570 641 HD3 LYS 75 3HD LYS 75 12.777 7.369 10.085 642 HE2 LYS 75 2HE LYS 75 12.424 6.809 12.420 643 HE3 LYS 75 3HE LYS 75 11.086 5.734 12.007 644 HZ1 LYS 75 1HZ LYS 75 12.589 4.245 10.934 645 HZ2 LYS 75 2HZ LYS 75 13.172 4.563 12.489 646 HZ3 LYS 75 3HZ LYS 75 13.897 5.301 11.152 647 H GLU 76 H GLU 76 8.555 9.336 6.667 648 HA GLU 76 HA GLU 76 9.467 11.826 5.542 649 HB2 GLU 76 2HB GLU 76 7.548 9.717 4.460 650 HB3 GLU 76 3HB GLU 76 8.187 11.059 3.527 651 HG2 GLU 76 2HG GLU 76 9.807 8.785 4.707 652 HG3 GLU 76 3HG GLU 76 9.353 8.966 3.015 653 H GLY 77 H GLY 77 6.854 11.048 7.502 654 HA2 GLY 77 2HA GLY 77 5.301 12.406 8.487 655 HA3 GLY 77 3HA GLY 77 5.810 13.715 7.433 656 H LEU 78 H LEU 78 4.648 10.547 6.358 657 HA LEU 78 HA LEU 78 2.373 11.890 4.994 658 HB2 LEU 78 2HB LEU 78 3.838 9.371 4.098 659 HB3 LEU 78 3HB LEU 78 2.610 10.250 3.198 660 HG LEU 78 HG LEU 78 5.439 11.203 3.797 661 HD11 LEU 78 1HD1 LEU 78 5.355 9.478 2.078 662 HD12 LEU 78 2HD1 LEU 78 5.771 11.033 1.374 663 HD13 LEU 78 3HD1 LEU 78 4.139 10.392 1.179 664 HD21 LEU 78 1HD2 LEU 78 3.254 12.653 2.272 665 HD22 LEU 78 2HD2 LEU 78 4.940 13.163 2.381 666 HD23 LEU 78 3HD2 LEU 78 3.934 13.129 3.827 667 H ARG 79 H ARG 79 0.423 10.783 4.814 668 HA ARG 79 HA ARG 79 -0.357 8.780 6.685 669 HB2 ARG 79 2HB ARG 79 -2.102 10.207 5.890 670 HB3 ARG 79 3HB ARG 79 -1.608 10.036 4.210 671 HG2 ARG 79 2HG ARG 79 -2.402 7.648 4.282 672 HG3 ARG 79 3HG ARG 79 -3.028 7.947 5.901 673 HD2 ARG 79 2HD ARG 79 -3.897 9.722 3.614 674 HD3 ARG 79 3HD ARG 79 -4.621 8.126 3.803 675 HE ARG 79 HE ARG 79 -4.925 10.427 5.587 676 HH11 ARG 79 1HH1 ARG 79 -5.645 7.056 4.945 677 HH12 ARG 79 2HH1 ARG 79 -6.968 6.987 6.059 678 HH21 ARG 79 1HH2 ARG 79 -6.703 10.329 7.043 679 HH22 ARG 79 2HH2 ARG 79 -7.562 8.833 7.241 680 H VAL 80 H VAL 80 -0.488 6.578 6.410 681 HA VAL 80 HA VAL 80 0.559 5.377 3.910 682 HB VAL 80 HB VAL 80 0.767 4.129 6.695 683 HG11 VAL 80 1HG1 VAL 80 2.415 2.633 5.638 684 HG12 VAL 80 2HG1 VAL 80 2.183 3.452 4.092 685 HG13 VAL 80 3HG1 VAL 80 0.856 2.541 4.814 686 HG21 VAL 80 1HG2 VAL 80 3.145 4.797 6.749 687 HG22 VAL 80 2HG2 VAL 80 2.089 6.211 6.699 688 HG23 VAL 80 3HG2 VAL 80 2.935 5.693 5.241 689 H LEU 81 H LEU 81 -0.959 4.258 2.846 690 HA LEU 81 HA LEU 81 -3.370 3.218 4.224 691 HB2 LEU 81 2HB LEU 81 -2.793 3.517 1.234 692 HB3 LEU 81 3HB LEU 81 -4.295 2.955 1.934 693 HG LEU 81 HG LEU 81 -4.658 5.173 1.141 694 HD11 LEU 81 1HD1 LEU 81 -5.748 4.662 3.247 695 HD12 LEU 81 2HD1 LEU 81 -5.378 6.378 3.112 696 HD13 LEU 81 3HD1 LEU 81 -4.384 5.340 4.140 697 HD21 LEU 81 1HD2 LEU 81 -2.333 5.943 1.016 698 HD22 LEU 81 2HD2 LEU 81 -2.300 6.146 2.769 699 HD23 LEU 81 3HD2 LEU 81 -3.381 7.134 1.783 700 H VAL 82 H VAL 82 -2.998 1.103 4.886 701 HA VAL 82 HA VAL 82 -1.253 -0.589 3.210 702 HB VAL 82 HB VAL 82 -1.956 -1.099 6.130 703 HG11 VAL 82 1HG1 VAL 82 -0.014 -2.641 6.064 704 HG12 VAL 82 2HG1 VAL 82 0.204 -2.297 4.347 705 HG13 VAL 82 3HG1 VAL 82 -1.258 -3.112 4.906 706 HG21 VAL 82 1HG2 VAL 82 -0.728 1.034 5.961 707 HG22 VAL 82 2HG2 VAL 82 0.547 0.245 5.029 708 HG23 VAL 82 3HG2 VAL 82 0.275 -0.207 6.713 709 H ILE 83 H ILE 83 -2.458 -1.726 1.826 710 HA ILE 83 HA ILE 83 -4.863 -3.190 2.783 711 HB ILE 83 HB ILE 83 -3.870 -2.659 -0.068 712 HG12 ILE 83 2HG1 ILE 83 -6.294 -1.705 1.502 713 HG13 ILE 83 3HG1 ILE 83 -5.006 -0.723 0.819 714 HG21 ILE 83 1HG2 ILE 83 -5.841 -3.900 -0.902 715 HG22 ILE 83 2HG2 ILE 83 -6.283 -4.329 0.750 716 HG23 ILE 83 3HG2 ILE 83 -4.794 -4.957 0.048 717 HD11 ILE 83 1HD1 ILE 83 -7.020 -0.478 -0.447 718 HD12 ILE 83 2HD1 ILE 83 -7.129 -2.216 -0.708 719 HD13 ILE 83 3HD1 ILE 83 -5.809 -1.290 -1.433 720 H MET 84 H MET 84 -4.242 -5.105 3.665 721 HA MET 84 HA MET 84 -2.224 -6.746 2.209 722 HB2 MET 84 2HB MET 84 -3.023 -6.736 5.148 723 HB3 MET 84 3HB MET 84 -2.011 -7.982 4.428 724 HG2 MET 84 2HG MET 84 -0.251 -6.434 4.003 725 HG3 MET 84 3HG MET 84 -1.283 -5.049 4.341 726 HE1 MET 84 1HE MET 84 -1.961 -4.230 6.698 727 HE2 MET 84 2HE MET 84 -1.611 -5.095 8.191 728 HE3 MET 84 3HE MET 84 -2.772 -5.758 7.045 729 H VAL 85 H VAL 85 -3.165 -8.243 1.000 730 HA VAL 85 HA VAL 85 -5.648 -9.579 1.818 731 HB VAL 85 HB VAL 85 -5.369 -8.059 -0.829 732 HG11 VAL 85 1HG1 VAL 85 -6.386 -10.262 -1.244 733 HG12 VAL 85 2HG1 VAL 85 -7.594 -8.999 -1.423 734 HG13 VAL 85 3HG1 VAL 85 -7.568 -9.986 0.035 735 HG21 VAL 85 1HG2 VAL 85 -6.084 -6.636 1.060 736 HG22 VAL 85 2HG2 VAL 85 -7.398 -7.753 1.426 737 HG23 VAL 85 3HG2 VAL 85 -7.406 -6.849 -0.090 738 H ASP 86 H ASP 86 -5.290 -11.631 1.614 739 HA ASP 86 HA ASP 86 -4.924 -12.973 -0.770 740 HB2 ASP 86 2HB ASP 86 -2.715 -14.101 -0.449 741 HB3 ASP 86 3HB ASP 86 -2.540 -12.376 -0.707 742 H GLN 87 H GLN 87 -3.906 -15.413 0.219 743 HA GLN 87 HA GLN 87 -6.209 -16.496 1.408 744 HB2 GLN 87 2HB GLN 87 -3.422 -17.695 1.162 745 HB3 GLN 87 3HB GLN 87 -4.899 -18.605 1.472 746 HG2 GLN 87 2HG GLN 87 -5.755 -18.161 -0.726 747 HG3 GLN 87 3HG GLN 87 -4.526 -16.931 -1.029 748 HE21 GLN 87 1HE2 GLN 87 -3.762 -17.908 -2.898 749 HE22 GLN 87 2HE2 GLN 87 -2.882 -19.394 -2.889 750 H ASP 88 H ASP 88 -3.018 -15.720 2.840 751 HA ASP 88 HA ASP 88 -3.650 -17.041 5.346 752 HB2 ASP 88 2HB ASP 88 -1.304 -16.927 4.231 753 HB3 ASP 88 3HB ASP 88 -1.199 -15.289 4.863 754 H GLN 89 H GLN 89 -5.444 -15.882 6.082 755 HA GLN 89 HA GLN 89 -5.520 -13.046 6.388 756 HB2 GLN 89 2HB GLN 89 -7.569 -14.413 6.104 757 HB3 GLN 89 3HB GLN 89 -7.294 -15.188 7.659 758 HG2 GLN 89 2HG GLN 89 -9.038 -13.481 7.833 759 HG3 GLN 89 3HG GLN 89 -7.641 -13.032 8.805 760 HE21 GLN 89 1HE2 GLN 89 -7.907 -12.625 5.276 761 HE22 GLN 89 2HE2 GLN 89 -7.883 -10.902 5.312 762 H GLU 90 H GLU 90 -4.243 -15.599 8.380 763 HA GLU 90 HA GLU 90 -4.404 -14.384 10.945 764 HB2 GLU 90 2HB GLU 90 -2.373 -16.403 9.899 765 HB3 GLU 90 3HB GLU 90 -2.633 -16.007 11.598 766 HG2 GLU 90 2HG GLU 90 -4.920 -16.908 11.474 767 HG3 GLU 90 3HG GLU 90 -4.692 -17.268 9.762 768 H GLU 91 H GLU 91 -1.802 -14.480 8.513 769 HA GLU 91 HA GLU 91 0.077 -12.893 9.976 770 HB2 GLU 91 2HB GLU 91 0.826 -14.512 8.300 771 HB3 GLU 91 3HB GLU 91 -0.041 -13.663 7.023 772 HG2 GLU 91 2HG GLU 91 1.468 -11.805 7.103 773 HG3 GLU 91 3HG GLU 91 2.190 -12.361 8.614 774 H LEU 92 H LEU 92 -2.283 -12.264 7.433 775 HA LEU 92 HA LEU 92 -1.793 -9.563 6.902 776 HB2 LEU 92 2HB LEU 92 -4.215 -11.354 6.728 777 HB3 LEU 92 3HB LEU 92 -4.444 -9.633 6.487 778 HG LEU 92 HG LEU 92 -3.266 -9.598 4.457 779 HD11 LEU 92 1HD1 LEU 92 -1.742 -11.323 3.613 780 HD12 LEU 92 2HD1 LEU 92 -1.931 -12.228 5.112 781 HD13 LEU 92 3HD1 LEU 92 -1.179 -10.635 5.134 782 HD21 LEU 92 1HD2 LEU 92 -4.559 -12.342 4.524 783 HD22 LEU 92 2HD2 LEU 92 -4.169 -11.422 3.069 784 HD23 LEU 92 3HD2 LEU 92 -5.375 -10.809 4.196 785 H GLU 93 H GLU 93 -3.849 -11.059 9.397 786 HA GLU 93 HA GLU 93 -4.771 -8.610 10.561 787 HB2 GLU 93 2HB GLU 93 -6.008 -10.801 10.645 788 HB3 GLU 93 3HB GLU 93 -4.788 -11.423 11.754 789 HG2 GLU 93 2HG GLU 93 -5.396 -9.620 13.370 790 HG3 GLU 93 3HG GLU 93 -6.664 -9.086 12.269 791 H ARG 94 H ARG 94 -2.046 -10.740 11.121 792 HA ARG 94 HA ARG 94 -1.157 -9.860 13.652 793 HB2 ARG 94 2HB ARG 94 -0.237 -11.894 12.732 794 HB3 ARG 94 3HB ARG 94 0.298 -11.078 11.271 795 HG2 ARG 94 2HG ARG 94 2.241 -11.570 12.605 796 HG3 ARG 94 3HG ARG 94 1.986 -9.828 12.641 797 HD2 ARG 94 2HD ARG 94 0.929 -10.049 14.884 798 HD3 ARG 94 3HD ARG 94 1.264 -11.787 14.859 799 HE ARG 94 HE ARG 94 3.205 -9.600 15.128 800 HH11 ARG 94 1HH1 ARG 94 2.699 -13.079 14.999 801 HH12 ARG 94 2HH1 ARG 94 4.278 -13.440 15.615 802 HH21 ARG 94 1HH2 ARG 94 5.261 -10.078 15.874 803 HH22 ARG 94 2HH2 ARG 94 5.737 -11.729 16.116 804 H ILE 95 H ILE 95 -0.077 -8.876 10.384 805 HA ILE 95 HA ILE 95 1.618 -6.757 11.202 806 HB ILE 95 HB ILE 95 0.212 -7.016 8.500 807 HG12 ILE 95 2HG1 ILE 95 2.899 -8.263 9.275 808 HG13 ILE 95 3HG1 ILE 95 1.398 -9.165 9.142 809 HG21 ILE 95 1HG2 ILE 95 2.843 -5.688 9.258 810 HG22 ILE 95 2HG2 ILE 95 1.335 -4.857 8.864 811 HG23 ILE 95 3HG2 ILE 95 2.173 -5.793 7.628 812 HD11 ILE 95 1HD1 ILE 95 2.778 -7.715 6.886 813 HD12 ILE 95 2HD1 ILE 95 1.276 -8.636 6.761 814 HD13 ILE 95 3HD1 ILE 95 2.783 -9.454 7.173 815 H TYR 96 H TYR 96 -1.752 -6.917 10.132 816 HA TYR 96 HA TYR 96 -2.558 -4.303 9.941 817 HB2 TYR 96 2HB TYR 96 -4.011 -6.160 9.343 818 HB3 TYR 96 3HB TYR 96 -4.069 -6.730 11.000 819 HD1 TYR 96 HD1 TYR 96 -5.421 -4.274 8.599 820 HD2 TYR 96 HD2 TYR 96 -5.570 -5.632 12.643 821 HE1 TYR 96 HE1 TYR 96 -7.554 -3.087 8.931 822 HE2 TYR 96 HE2 TYR 96 -7.688 -4.438 12.978 823 HH TYR 96 HH TYR 96 -9.538 -3.203 10.448 824 H GLU 97 H GLU 97 -2.570 -6.318 12.895 825 HA GLU 97 HA GLU 97 -3.689 -4.490 14.684 826 HB2 GLU 97 2HB GLU 97 -3.402 -6.918 15.162 827 HB3 GLU 97 3HB GLU 97 -1.656 -6.693 15.275 828 HG2 GLU 97 2HG GLU 97 -2.048 -5.109 17.189 829 HG3 GLU 97 3HG GLU 97 -3.762 -5.516 17.124 830 H GLN 98 H GLN 98 -0.264 -5.193 14.005 831 HA GLN 98 HA GLN 98 1.012 -3.521 15.825 832 HB2 GLN 98 2HB GLN 98 2.214 -5.239 14.556 833 HB3 GLN 98 3HB GLN 98 1.890 -4.407 13.040 834 HG2 GLN 98 2HG GLN 98 4.221 -4.087 13.747 835 HG3 GLN 98 3HG GLN 98 3.356 -2.551 13.708 836 HE21 GLN 98 1HE2 GLN 98 4.710 -1.501 15.167 837 HE22 GLN 98 2HE2 GLN 98 4.828 -1.937 16.832 838 H LEU 99 H LEU 99 -0.162 -2.799 12.572 839 HA LEU 99 HA LEU 99 0.884 -0.086 12.535 840 HB2 LEU 99 2HB LEU 99 -1.004 -1.469 10.608 841 HB3 LEU 99 3HB LEU 99 -0.062 -0.019 10.284 842 HG LEU 99 HG LEU 99 1.026 -2.834 10.680 843 HD11 LEU 99 1HD1 LEU 99 1.684 -2.734 8.329 844 HD12 LEU 99 2HD1 LEU 99 0.952 -1.135 8.174 845 HD13 LEU 99 3HD1 LEU 99 -0.060 -2.541 8.513 846 HD21 LEU 99 1HD2 LEU 99 2.599 -1.242 11.617 847 HD22 LEU 99 2HD2 LEU 99 2.581 -0.301 10.125 848 HD23 LEU 99 3HD2 LEU 99 3.235 -1.941 10.131 849 H LYS 100 H LYS 100 -2.150 -1.653 13.255 850 HA LYS 100 HA LYS 100 -3.948 0.526 12.763 851 HB2 LYS 100 2HB LYS 100 -4.492 -1.972 12.741 852 HB3 LYS 100 3HB LYS 100 -4.412 -1.960 14.490 853 HG2 LYS 100 2HG LYS 100 -6.353 -0.159 13.013 854 HG3 LYS 100 3HG LYS 100 -6.729 -1.856 13.307 855 HD2 LYS 100 2HD LYS 100 -6.339 -1.402 15.784 856 HD3 LYS 100 3HD LYS 100 -6.260 0.316 15.380 857 HE2 LYS 100 2HE LYS 100 -8.508 -0.333 16.167 858 HE3 LYS 100 3HE LYS 100 -8.554 0.218 14.490 859 HZ1 LYS 100 1HZ LYS 100 -8.404 -2.645 15.270 860 HZ2 LYS 100 2HZ LYS 100 -8.708 -2.013 13.732 861 HZ3 LYS 100 3HZ LYS 100 -9.854 -1.833 14.957 862 H LYS 101 H LYS 101 -2.421 -0.880 15.630 863 HA LYS 101 HA LYS 101 -3.439 0.622 17.708 864 HB2 LYS 101 2HB LYS 101 -0.612 -0.431 17.278 865 HB3 LYS 101 3HB LYS 101 -1.164 0.247 18.809 866 HG2 LYS 101 2HG LYS 101 -2.829 -1.530 19.036 867 HG3 LYS 101 3HG LYS 101 -2.356 -2.203 17.471 868 HD2 LYS 101 2HD LYS 101 -0.148 -2.763 18.301 869 HD3 LYS 101 3HD LYS 101 -0.435 -1.896 19.811 870 HE2 LYS 101 2HE LYS 101 -2.169 -3.538 20.421 871 HE3 LYS 101 3HE LYS 101 -1.887 -4.403 18.910 872 HZ1 LYS 101 1HZ LYS 101 0.104 -4.008 21.073 873 HZ2 LYS 101 2HZ LYS 101 0.376 -4.838 19.628 874 HZ3 LYS 101 3HZ LYS 101 -0.737 -5.437 20.748 875 H ASP 102 H ASP 102 -0.824 1.445 15.484 876 HA ASP 102 HA ASP 102 0.078 3.802 16.795 877 HB2 ASP 102 2HB ASP 102 1.482 2.450 15.266 878 HB3 ASP 102 3HB ASP 102 0.435 2.847 13.909 879 H GLY 103 H GLY 103 -2.467 3.179 14.474 880 HA2 GLY 103 2HA GLY 103 -4.286 4.717 14.147 881 HA3 GLY 103 3HA GLY 103 -3.175 6.062 14.342 882 H VAL 104 H VAL 104 -1.822 3.600 12.457 883 HA VAL 104 HA VAL 104 -1.907 5.030 9.985 884 HB VAL 104 HB VAL 104 -1.170 2.106 10.541 885 HG11 VAL 104 1HG1 VAL 104 0.110 2.178 8.426 886 HG12 VAL 104 2HG1 VAL 104 -0.505 3.801 8.104 887 HG13 VAL 104 3HG1 VAL 104 -1.614 2.430 8.151 888 HG21 VAL 104 1HG2 VAL 104 0.633 4.555 10.383 889 HG22 VAL 104 2HG2 VAL 104 1.174 2.888 10.595 890 HG23 VAL 104 3HG2 VAL 104 0.209 3.666 11.849 891 H ASP 105 H ASP 105 -3.281 4.724 8.164 892 HA ASP 105 HA ASP 105 -5.807 3.401 8.612 893 HB2 ASP 105 2HB ASP 105 -5.596 5.460 7.170 894 HB3 ASP 105 3HB ASP 105 -4.729 4.507 5.976 895 H VAL 106 H VAL 106 -6.158 1.328 8.286 896 HA VAL 106 HA VAL 106 -4.497 -0.338 6.544 897 HB VAL 106 HB VAL 106 -4.117 -2.024 8.378 898 HG11 VAL 106 1HG1 VAL 106 -2.842 0.676 8.950 899 HG12 VAL 106 2HG1 VAL 106 -2.305 -0.483 7.738 900 HG13 VAL 106 3HG1 VAL 106 -2.229 -0.902 9.438 901 HG21 VAL 106 1HG2 VAL 106 -5.010 0.186 10.280 902 HG22 VAL 106 2HG2 VAL 106 -4.325 -1.373 10.748 903 HG23 VAL 106 3HG2 VAL 106 -5.892 -1.306 9.946 904 H ARG 107 H ARG 107 -5.505 -2.214 5.917 905 HA ARG 107 HA ARG 107 -8.006 -3.099 7.020 906 HB2 ARG 107 2HB ARG 107 -9.339 -2.858 4.949 907 HB3 ARG 107 3HB ARG 107 -8.898 -1.307 5.630 908 HG2 ARG 107 2HG ARG 107 -7.394 -2.535 3.301 909 HG3 ARG 107 3HG ARG 107 -8.824 -1.528 3.088 910 HD2 ARG 107 2HD ARG 107 -6.241 -0.653 4.429 911 HD3 ARG 107 3HD ARG 107 -6.730 -0.237 2.789 912 HE ARG 107 HE ARG 107 -7.515 1.062 5.198 913 HH11 ARG 107 1HH1 ARG 107 -8.811 0.200 2.038 914 HH12 ARG 107 2HH1 ARG 107 -9.956 1.501 2.025 915 HH21 ARG 107 1HH2 ARG 107 -8.955 2.814 5.116 916 HH22 ARG 107 2HH2 ARG 107 -10.040 2.980 3.764 917 H VAL 108 H VAL 108 -8.472 -5.179 6.504 918 HA VAL 108 HA VAL 108 -6.754 -6.644 4.611 919 HB VAL 108 HB VAL 108 -6.509 -8.516 6.286 920 HG11 VAL 108 1HG1 VAL 108 -4.681 -7.496 7.574 921 HG12 VAL 108 2HG1 VAL 108 -5.270 -5.882 7.165 922 HG13 VAL 108 3HG1 VAL 108 -4.659 -6.948 5.898 923 HG21 VAL 108 1HG2 VAL 108 -6.866 -8.076 8.700 924 HG22 VAL 108 2HG2 VAL 108 -8.380 -7.960 7.804 925 HG23 VAL 108 3HG2 VAL 108 -7.549 -6.491 8.318 926 H THR 109 H THR 109 -7.711 -8.359 3.628 927 HA THR 109 HA THR 109 -10.103 -9.637 4.590 928 HB THR 109 HB THR 109 -11.116 -7.662 3.403 929 HG1 THR 109 HG1 THR 109 -12.349 -9.496 3.376 930 HG21 THR 109 1HG2 THR 109 -9.392 -7.270 1.679 931 HG22 THR 109 2HG2 THR 109 -10.988 -7.458 0.953 932 HG23 THR 109 3HG2 THR 109 -9.829 -8.787 0.886 933 H ASP 110 H ASP 110 -10.410 -11.664 3.515 934 HA ASP 110 HA ASP 110 -8.131 -12.517 1.820 935 HB2 ASP 110 2HB ASP 110 -8.860 -14.876 2.514 936 HB3 ASP 110 3HB ASP 110 -8.199 -13.874 3.797 937 H ASN 111 H ASN 111 -9.050 -11.556 -0.031 938 HA ASN 111 HA ASN 111 -10.039 -13.268 -1.902 939 HB2 ASN 111 2HB ASN 111 -12.361 -12.693 -2.362 940 HB3 ASN 111 3HB ASN 111 -12.267 -13.206 -0.679 941 HD21 ASN 111 1HD2 ASN 111 -12.365 -11.552 0.961 942 HD22 ASN 111 2HD2 ASN 111 -13.148 -10.049 0.631 943 H GLU 112 H GLU 112 -10.211 -12.284 -3.965 944 HA GLU 112 HA GLU 112 -8.504 -9.997 -4.220 945 HB2 GLU 112 2HB GLU 112 -8.389 -11.972 -5.712 946 HB3 GLU 112 3HB GLU 112 -9.982 -11.587 -6.356 947 HG2 GLU 112 2HG GLU 112 -9.062 -9.422 -7.212 948 HG3 GLU 112 3HG GLU 112 -7.463 -9.911 -6.644 949 H ASP 113 H ASP 113 -11.992 -10.540 -4.684 950 HA ASP 113 HA ASP 113 -12.581 -8.337 -6.332 951 HB2 ASP 113 2HB ASP 113 -14.316 -9.934 -4.419 952 HB3 ASP 113 3HB ASP 113 -14.982 -8.632 -5.393 953 H GLU 114 H GLU 114 -12.806 -8.628 -2.787 954 HA GLU 114 HA GLU 114 -13.853 -6.019 -2.358 955 HB2 GLU 114 2HB GLU 114 -14.176 -7.928 -0.783 956 HB3 GLU 114 3HB GLU 114 -12.463 -7.873 -0.380 957 HG2 GLU 114 2HG GLU 114 -13.753 -6.797 1.366 958 HG3 GLU 114 3HG GLU 114 -12.760 -5.597 0.548 959 H ALA 115 H ALA 115 -10.598 -7.367 -2.434 960 HA ALA 115 HA ALA 115 -9.082 -5.271 -1.377 961 HB1 ALA 115 1HB ALA 115 -8.147 -7.458 -1.966 962 HB2 ALA 115 2HB ALA 115 -7.216 -6.159 -2.704 963 HB3 ALA 115 3HB ALA 115 -8.347 -7.108 -3.679 964 H LYS 116 H LYS 116 -10.341 -5.774 -4.640 965 HA LYS 116 HA LYS 116 -8.975 -3.592 -5.900 966 HB2 LYS 116 2HB LYS 116 -11.386 -5.218 -6.823 967 HB3 LYS 116 3HB LYS 116 -10.407 -4.167 -7.851 968 HG2 LYS 116 2HG LYS 116 -8.425 -5.592 -7.438 969 HG3 LYS 116 3HG LYS 116 -9.389 -6.624 -6.385 970 HD2 LYS 116 2HD LYS 116 -9.141 -7.703 -8.539 971 HD3 LYS 116 3HD LYS 116 -10.827 -7.225 -8.329 972 HE2 LYS 116 2HE LYS 116 -10.529 -5.326 -9.806 973 HE3 LYS 116 3HE LYS 116 -8.786 -5.613 -9.893 974 HZ1 LYS 116 1HZ LYS 116 -10.893 -7.446 -10.902 975 HZ2 LYS 116 2HZ LYS 116 -9.228 -7.718 -10.972 976 HZ3 LYS 116 3HZ LYS 116 -9.909 -6.443 -11.844 977 H LYS 117 H LYS 117 -12.040 -3.960 -4.294 978 HA LYS 117 HA LYS 117 -13.237 -1.486 -5.130 979 HB2 LYS 117 2HB LYS 117 -13.821 -3.249 -2.707 980 HB3 LYS 117 3HB LYS 117 -14.862 -1.957 -3.306 981 HG2 LYS 117 2HG LYS 117 -15.186 -3.191 -5.421 982 HG3 LYS 117 3HG LYS 117 -14.145 -4.486 -4.821 983 HD2 LYS 117 2HD LYS 117 -15.751 -4.904 -2.968 984 HD3 LYS 117 3HD LYS 117 -16.792 -3.619 -3.594 985 HE2 LYS 117 2HE LYS 117 -17.056 -4.900 -5.714 986 HE3 LYS 117 3HE LYS 117 -16.071 -6.197 -5.030 987 HZ1 LYS 117 1HZ LYS 117 -18.633 -5.235 -3.873 988 HZ2 LYS 117 2HZ LYS 117 -17.724 -6.558 -3.344 989 HZ3 LYS 117 3HZ LYS 117 -18.469 -6.599 -4.857 990 H ARG 118 H ARG 118 -11.442 -2.581 -2.241 991 HA ARG 118 HA ARG 118 -11.528 -0.053 -0.886 992 HB2 ARG 118 2HB ARG 118 -9.729 -2.458 -0.361 993 HB3 ARG 118 3HB ARG 118 -9.914 -1.077 0.709 994 HG2 ARG 118 2HG ARG 118 -11.909 -3.254 0.098 995 HG3 ARG 118 3HG ARG 118 -11.219 -2.800 1.650 996 HD2 ARG 118 2HD ARG 118 -13.300 -1.844 1.913 997 HD3 ARG 118 3HD ARG 118 -12.514 -0.482 1.106 998 HE ARG 118 HE ARG 118 -13.847 -2.426 -0.611 999 HH11 ARG 118 1HH1 ARG 118 -14.118 0.705 0.967 1000 HH12 ARG 118 2HH1 ARG 118 -15.431 1.220 -0.036 1001 HH21 ARG 118 1HH2 ARG 118 -15.646 -1.749 -1.832 1002 HH22 ARG 118 2HH2 ARG 118 -16.292 -0.155 -1.612 1003 H LEU 119 H LEU 119 -9.385 -1.514 -3.199 1004 HA LEU 119 HA LEU 119 -7.082 0.116 -2.884 1005 HB2 LEU 119 2HB LEU 119 -7.529 -2.107 -4.304 1006 HB3 LEU 119 3HB LEU 119 -7.961 -0.995 -5.582 1007 HG LEU 119 HG LEU 119 -5.657 -1.777 -5.857 1008 HD11 LEU 119 1HD1 LEU 119 -6.088 0.495 -6.626 1009 HD12 LEU 119 2HD1 LEU 119 -4.432 0.319 -6.053 1010 HD13 LEU 119 3HD1 LEU 119 -5.631 1.134 -5.045 1011 HD21 LEU 119 1HD2 LEU 119 -5.150 -2.312 -3.515 1012 HD22 LEU 119 2HD2 LEU 119 -5.043 -0.593 -3.131 1013 HD23 LEU 119 3HD2 LEU 119 -3.879 -1.327 -4.238 1014 H LYS 120 H LYS 120 -9.853 0.237 -5.085 1015 HA LYS 120 HA LYS 120 -9.389 2.677 -6.366 1016 HB2 LYS 120 2HB LYS 120 -10.966 0.957 -7.132 1017 HB3 LYS 120 3HB LYS 120 -12.001 1.239 -5.739 1018 HG2 LYS 120 2HG LYS 120 -12.637 3.420 -6.548 1019 HG3 LYS 120 3HG LYS 120 -11.421 3.369 -7.831 1020 HD2 LYS 120 2HD LYS 120 -13.835 1.522 -7.608 1021 HD3 LYS 120 3HD LYS 120 -13.693 2.893 -8.712 1022 HE2 LYS 120 2HE LYS 120 -11.778 1.798 -9.832 1023 HE3 LYS 120 3HE LYS 120 -11.904 0.432 -8.720 1024 HZ1 LYS 120 1HZ LYS 120 -14.080 -0.055 -9.605 1025 HZ2 LYS 120 2HZ LYS 120 -12.938 -0.018 -10.852 1026 HZ3 LYS 120 3HZ LYS 120 -14.000 1.281 -10.639 1027 H GLU 121 H GLU 121 -11.024 1.905 -3.341 1028 HA GLU 121 HA GLU 121 -12.220 4.342 -2.685 1029 HB2 GLU 121 2HB GLU 121 -12.600 2.198 -1.477 1030 HB3 GLU 121 3HB GLU 121 -10.970 2.286 -0.816 1031 HG2 GLU 121 2HG GLU 121 -11.775 4.608 0.136 1032 HG3 GLU 121 3HG GLU 121 -13.387 3.960 -0.139 1033 H LEU 122 H LEU 122 -8.890 3.204 -2.160 1034 HA LEU 122 HA LEU 122 -7.971 5.378 -0.559 1035 HB2 LEU 122 2HB LEU 122 -6.312 3.598 -2.389 1036 HB3 LEU 122 3HB LEU 122 -5.712 4.568 -1.048 1037 HG LEU 122 HG LEU 122 -7.485 2.113 -0.851 1038 HD11 LEU 122 1HD1 LEU 122 -5.205 1.538 -1.366 1039 HD12 LEU 122 2HD1 LEU 122 -5.546 1.116 0.309 1040 HD13 LEU 122 3HD1 LEU 122 -4.602 2.559 -0.059 1041 HD21 LEU 122 1HD2 LEU 122 -7.261 2.326 1.606 1042 HD22 LEU 122 2HD2 LEU 122 -8.172 3.652 0.891 1043 HD23 LEU 122 3HD2 LEU 122 -6.497 3.902 1.388 1044 H LEU 123 H LEU 123 -7.814 4.653 -4.013 1045 HA LEU 123 HA LEU 123 -6.430 6.889 -4.959 1046 HB2 LEU 123 2HB LEU 123 -8.403 4.962 -6.169 1047 HB3 LEU 123 3HB LEU 123 -7.990 6.394 -7.090 1048 HG LEU 123 HG LEU 123 -6.650 4.459 -7.798 1049 HD11 LEU 123 1HD1 LEU 123 -4.958 6.586 -6.462 1050 HD12 LEU 123 2HD1 LEU 123 -5.685 6.675 -8.067 1051 HD13 LEU 123 3HD1 LEU 123 -4.432 5.486 -7.737 1052 HD21 LEU 123 1HD2 LEU 123 -5.468 4.405 -4.997 1053 HD22 LEU 123 2HD2 LEU 123 -4.921 3.450 -6.378 1054 HD23 LEU 123 3HD2 LEU 123 -6.528 3.185 -5.710 1055 H GLU 124 H GLU 124 -9.798 6.543 -4.034 1056 HA GLU 124 HA GLU 124 -10.671 9.132 -4.937 1057 HB2 GLU 124 2HB GLU 124 -11.857 7.193 -2.903 1058 HB3 GLU 124 3HB GLU 124 -12.672 8.637 -3.503 1059 HG2 GLU 124 2HG GLU 124 -12.763 7.730 -5.756 1060 HG3 GLU 124 3HG GLU 124 -11.767 6.354 -5.283 1061 H LYS 125 H LYS 125 -9.716 7.756 -1.767 1062 HA LYS 125 HA LYS 125 -10.361 10.036 -0.216 1063 HB2 LYS 125 2HB LYS 125 -8.619 7.623 0.407 1064 HB3 LYS 125 3HB LYS 125 -9.032 8.852 1.598 1065 HG2 LYS 125 2HG LYS 125 -11.437 8.293 1.352 1066 HG3 LYS 125 3HG LYS 125 -11.016 7.064 0.153 1067 HD2 LYS 125 2HD LYS 125 -11.384 6.034 2.372 1068 HD3 LYS 125 3HD LYS 125 -9.713 5.824 1.844 1069 HE2 LYS 125 2HE LYS 125 -9.032 7.728 3.298 1070 HE3 LYS 125 3HE LYS 125 -10.704 7.890 3.848 1071 HZ1 LYS 125 1HZ LYS 125 -10.587 5.724 4.831 1072 HZ2 LYS 125 2HZ LYS 125 -9.278 6.629 5.372 1073 HZ3 LYS 125 3HZ LYS 125 -9.046 5.445 4.199 1074 H VAL 126 H VAL 126 -7.390 9.167 -1.890 1075 HA VAL 126 HA VAL 126 -5.705 10.998 -0.395 1076 HB VAL 126 HB VAL 126 -5.149 9.447 -2.979 1077 HG11 VAL 126 1HG1 VAL 126 -3.203 10.981 -1.206 1078 HG12 VAL 126 2HG1 VAL 126 -3.681 11.406 -2.852 1079 HG13 VAL 126 3HG1 VAL 126 -2.756 9.937 -2.559 1080 HG21 VAL 126 1HG2 VAL 126 -4.253 8.840 -0.121 1081 HG22 VAL 126 2HG2 VAL 126 -3.829 7.915 -1.565 1082 HG23 VAL 126 3HG2 VAL 126 -5.501 7.969 -1.015 1083 H LEU 127 H LEU 127 -7.386 10.997 -3.529 1084 HA LEU 127 HA LEU 127 -6.368 13.528 -4.442 1085 HB2 LEU 127 2HB LEU 127 -8.805 11.955 -5.360 1086 HB3 LEU 127 3HB LEU 127 -8.148 13.357 -6.189 1087 HG LEU 127 HG LEU 127 -6.759 10.667 -5.847 1088 HD11 LEU 127 1HD1 LEU 127 -7.884 11.985 -8.338 1089 HD12 LEU 127 2HD1 LEU 127 -8.546 10.580 -7.502 1090 HD13 LEU 127 3HD1 LEU 127 -6.977 10.470 -8.292 1091 HD21 LEU 127 1HD2 LEU 127 -5.076 12.432 -5.763 1092 HD22 LEU 127 2HD2 LEU 127 -5.724 13.169 -7.228 1093 HD23 LEU 127 3HD2 LEU 127 -4.968 11.577 -7.302 1094 H GLU 128 H GLU 128 -9.415 12.471 -2.931 1095 HA GLU 128 HA GLU 128 -10.689 14.948 -2.573 1096 HB2 GLU 128 2HB GLU 128 -10.747 12.402 -0.884 1097 HB3 GLU 128 3HB GLU 128 -11.810 13.771 -0.589 1098 HG2 GLU 128 2HG GLU 128 -11.726 12.203 -3.170 1099 HG3 GLU 128 3HG GLU 128 -12.860 11.898 -1.862 1100 H HIS 129 H HIS 129 -8.412 13.161 -0.544 1101 HA HIS 129 HA HIS 129 -7.316 13.499 1.382 1102 HB2 HIS 129 2HB HIS 129 -6.124 15.174 -0.052 1103 HB3 HIS 129 3HB HIS 129 -7.234 16.420 0.498 1104 HD1 HIS 129 HD1 HIS 129 -5.839 17.912 1.930 1105 HD2 HIS 129 HD2 HIS 129 -5.090 13.900 2.717 1106 HE1 HIS 129 HE1 HIS 129 -4.288 17.888 3.901 1107 HE2 HIS 129 HE2 HIS 129 -3.926 15.463 4.417 1108 H HIS 130 H HIS 130 -10.285 13.828 1.296 1109 HA HIS 130 HA HIS 130 -10.919 15.602 3.541 1110 HB2 HIS 130 2HB HIS 130 -12.737 13.875 1.794 1111 HB3 HIS 130 3HB HIS 130 -13.295 14.958 3.067 1112 HD1 HIS 130 HD1 HIS 130 -13.547 14.974 -0.305 1113 HD2 HIS 130 HD2 HIS 130 -11.715 17.694 2.250 1114 HE1 HIS 130 HE1 HIS 130 -13.447 17.132 -1.581 1115 HE2 HIS 130 HE2 HIS 130 -12.178 18.699 -0.080 1116 H HIS 131 H HIS 131 -11.634 14.885 5.483 1117 HA HIS 131 HA HIS 131 -10.940 12.165 6.297 1118 HB2 HIS 131 2HB HIS 131 -11.333 13.076 8.627 1119 HB3 HIS 131 3HB HIS 131 -10.097 13.931 7.714 1120 HD1 HIS 131 HD1 HIS 131 -13.661 14.347 8.904 1121 HD2 HIS 131 HD2 HIS 131 -10.554 16.650 7.382 1122 HE1 HIS 131 HE1 HIS 131 -14.420 16.727 9.116 1123 HE2 HIS 131 HE2 HIS 131 -12.541 18.101 8.171 1124 H HIS 132 H HIS 132 -13.127 12.204 4.598 1125 HA HIS 132 HA HIS 132 -15.661 12.094 5.852 1126 HB2 HIS 132 2HB HIS 132 -15.335 12.317 3.381 1127 HB3 HIS 132 3HB HIS 132 -14.717 10.669 3.313 1128 HD1 HIS 132 HD1 HIS 132 -16.449 8.958 2.720 1129 HD2 HIS 132 HD2 HIS 132 -18.156 12.370 4.367 1130 HE1 HIS 132 HE1 HIS 132 -18.923 8.555 2.692 1131 HE2 HIS 132 HE2 HIS 132 -19.932 10.685 3.549 1132 H HIS 133 H HIS 133 -13.036 9.824 5.541 1133 HA HIS 133 HA HIS 133 -14.124 8.220 7.719 1134 HB2 HIS 133 2HB HIS 133 -13.360 7.031 5.017 1135 HB3 HIS 133 3HB HIS 133 -13.329 6.069 6.489 1136 HD1 HIS 133 HD1 HIS 133 -15.392 6.459 3.724 1137 HD2 HIS 133 HD2 HIS 133 -16.123 6.457 7.815 1138 HE1 HIS 133 HE1 HIS 133 -17.828 5.912 3.977 1139 HE2 HIS 133 HE2 HIS 133 -18.257 5.986 6.444 1140 H HIS 134 H HIS 134 -12.447 6.976 8.782 1141 HA HIS 134 HA HIS 134 -9.898 8.170 8.966 1142 HB2 HIS 134 2HB HIS 134 -10.745 6.976 10.889 1143 HB3 HIS 134 3HB HIS 134 -10.929 5.484 9.976 1144 HD1 HIS 134 HD1 HIS 134 -8.244 7.706 11.452 1145 HD2 HIS 134 HD2 HIS 134 -8.649 3.872 9.912 1146 HE1 HIS 134 HE1 HIS 134 -6.049 6.557 11.898 1147 HE2 HIS 134 HE2 HIS 134 -6.340 4.231 11.003 Start of MODEL 4 1 H1 MET 1 1H MET 1 2.127 16.601 -2.974 2 H2 MET 1 2H MET 1 0.561 16.595 -3.605 3 H3 MET 1 3H MET 1 1.666 15.408 -4.076 4 HA MET 1 HA MET 1 0.608 15.779 -1.345 5 HB2 MET 1 2HB MET 1 -0.039 13.657 -3.441 6 HB3 MET 1 3HB MET 1 -0.541 13.560 -1.758 7 HG2 MET 1 2HG MET 1 -1.900 15.582 -2.033 8 HG3 MET 1 3HG MET 1 -1.377 15.712 -3.714 9 HE1 MET 1 1HE MET 1 -3.883 15.804 -4.574 10 HE2 MET 1 2HE MET 1 -4.460 15.715 -2.907 11 HE3 MET 1 3HE MET 1 -5.114 14.622 -4.126 12 H GLY 2 H GLY 2 1.111 13.973 0.046 13 HA2 GLY 2 2HA GLY 2 3.517 12.380 -0.632 14 HA3 GLY 2 3HA GLY 2 3.400 13.263 0.893 15 H THR 3 H THR 3 1.708 10.888 -1.091 16 HA THR 3 HA THR 3 0.496 9.662 1.322 17 HB THR 3 HB THR 3 -0.607 9.673 -1.526 18 HG1 THR 3 HG1 THR 3 -2.037 11.262 -0.807 19 HG21 THR 3 1HG2 THR 3 -2.694 8.886 -0.503 20 HG22 THR 3 2HG2 THR 3 -1.940 8.894 1.093 21 HG23 THR 3 3HG2 THR 3 -1.378 7.765 -0.145 22 H VAL 4 H VAL 4 1.417 7.690 1.710 23 HA VAL 4 HA VAL 4 2.388 6.059 -0.574 24 HB VAL 4 HB VAL 4 3.371 5.932 2.318 25 HG11 VAL 4 1HG1 VAL 4 4.430 4.577 -0.194 26 HG12 VAL 4 2HG1 VAL 4 3.588 3.780 1.136 27 HG13 VAL 4 3HG1 VAL 4 5.178 4.496 1.405 28 HG21 VAL 4 1HG2 VAL 4 4.065 8.062 1.283 29 HG22 VAL 4 2HG2 VAL 4 4.727 7.192 -0.104 30 HG23 VAL 4 3HG2 VAL 4 5.460 6.998 1.491 31 H VAL 5 H VAL 5 0.795 4.657 -1.024 32 HA VAL 5 HA VAL 5 -0.751 3.331 1.089 33 HB VAL 5 HB VAL 5 -1.019 3.107 -1.948 34 HG11 VAL 5 1HG1 VAL 5 -3.230 2.076 -1.511 35 HG12 VAL 5 2HG1 VAL 5 -2.917 2.134 0.226 36 HG13 VAL 5 3HG1 VAL 5 -1.924 1.112 -0.816 37 HG21 VAL 5 1HG2 VAL 5 -2.998 4.579 -1.725 38 HG22 VAL 5 2HG2 VAL 5 -1.530 5.393 -1.181 39 HG23 VAL 5 3HG2 VAL 5 -2.674 4.755 0.004 40 H ILE 6 H ILE 6 0.083 1.482 1.929 41 HA ILE 6 HA ILE 6 2.087 -0.072 0.421 42 HB ILE 6 HB ILE 6 1.385 -0.091 3.390 43 HG12 ILE 6 2HG1 ILE 6 2.615 1.934 2.724 44 HG13 ILE 6 3HG1 ILE 6 3.658 0.898 3.694 45 HG21 ILE 6 1HG2 ILE 6 2.088 -2.348 2.734 46 HG22 ILE 6 2HG2 ILE 6 3.343 -1.587 3.714 47 HG23 ILE 6 3HG2 ILE 6 3.538 -1.699 1.963 48 HD11 ILE 6 1HD1 ILE 6 3.726 1.195 0.692 49 HD12 ILE 6 2HD1 ILE 6 4.760 0.115 1.636 50 HD13 ILE 6 3HD1 ILE 6 4.869 1.861 1.854 51 H VAL 7 H VAL 7 1.149 -1.611 -0.775 52 HA VAL 7 HA VAL 7 -1.131 -3.154 0.288 53 HB VAL 7 HB VAL 7 -0.097 -2.980 -2.573 54 HG11 VAL 7 1HG1 VAL 7 -2.163 -4.194 -3.188 55 HG12 VAL 7 2HG1 VAL 7 -2.576 -4.353 -1.478 56 HG13 VAL 7 3HG1 VAL 7 -1.141 -5.157 -2.118 57 HG21 VAL 7 1HG2 VAL 7 -2.155 -1.678 -3.044 58 HG22 VAL 7 2HG2 VAL 7 -1.138 -0.857 -1.858 59 HG23 VAL 7 3HG2 VAL 7 -2.581 -1.726 -1.329 60 H VAL 8 H VAL 8 -0.900 -5.233 0.773 61 HA VAL 8 HA VAL 8 1.728 -6.563 0.460 62 HB VAL 8 HB VAL 8 -0.209 -6.591 2.825 63 HG11 VAL 8 1HG1 VAL 8 1.505 -7.962 4.019 64 HG12 VAL 8 2HG1 VAL 8 2.400 -8.121 2.504 65 HG13 VAL 8 3HG1 VAL 8 0.781 -8.804 2.648 66 HG21 VAL 8 1HG2 VAL 8 1.590 -5.458 4.083 67 HG22 VAL 8 2HG2 VAL 8 1.079 -4.500 2.691 68 HG23 VAL 8 3HG2 VAL 8 2.589 -5.414 2.627 69 H SER 9 H SER 9 1.343 -8.152 -1.061 70 HA SER 9 HA SER 9 -0.481 -10.282 -0.210 71 HB2 SER 9 2HB SER 9 -1.723 -9.010 -1.998 72 HB3 SER 9 3HB SER 9 -0.403 -9.353 -3.118 73 HG SER 9 HG SER 9 -2.255 -11.128 -1.943 74 H ARG 10 H ARG 10 0.463 -12.222 -0.336 75 HA ARG 10 HA ARG 10 3.172 -12.613 -1.082 76 HB2 ARG 10 2HB ARG 10 2.199 -14.028 0.587 77 HB3 ARG 10 3HB ARG 10 0.887 -14.509 -0.474 78 HG2 ARG 10 2HG ARG 10 2.412 -15.856 -1.825 79 HG3 ARG 10 3HG ARG 10 3.792 -15.302 -0.871 80 HD2 ARG 10 2HD ARG 10 1.447 -16.881 0.271 81 HD3 ARG 10 3HD ARG 10 2.976 -17.595 -0.243 82 HE ARG 10 HE ARG 10 4.068 -16.621 1.577 83 HH11 ARG 10 1HH1 ARG 10 0.629 -15.774 1.683 84 HH12 ARG 10 2HH1 ARG 10 0.714 -15.237 3.332 85 HH21 ARG 10 1HH2 ARG 10 4.137 -15.844 3.687 86 HH22 ARG 10 2HH2 ARG 10 2.691 -15.278 4.454 87 H ASP 11 H ASP 11 0.095 -13.275 -2.677 88 HA ASP 11 HA ASP 11 1.328 -14.278 -5.095 89 HB2 ASP 11 2HB ASP 11 -0.836 -15.203 -4.442 90 HB3 ASP 11 3HB ASP 11 -1.563 -13.597 -4.433 91 H GLU 12 H GLU 12 2.092 -13.043 -6.645 92 HA GLU 12 HA GLU 12 2.040 -10.183 -6.512 93 HB2 GLU 12 2HB GLU 12 4.003 -11.627 -7.202 94 HB3 GLU 12 3HB GLU 12 3.174 -11.937 -8.722 95 HG2 GLU 12 2HG GLU 12 3.259 -9.542 -9.272 96 HG3 GLU 12 3HG GLU 12 4.026 -9.198 -7.722 97 H ARG 13 H ARG 13 0.059 -12.510 -8.049 98 HA ARG 13 HA ARG 13 -0.783 -10.945 -10.318 99 HB2 ARG 13 2HB ARG 13 -2.109 -13.386 -9.078 100 HB3 ARG 13 3HB ARG 13 -2.441 -12.715 -10.676 101 HG2 ARG 13 2HG ARG 13 -0.161 -13.284 -11.400 102 HG3 ARG 13 3HG ARG 13 0.199 -13.932 -9.793 103 HD2 ARG 13 2HD ARG 13 -1.560 -15.638 -10.094 104 HD3 ARG 13 3HD ARG 13 -1.932 -14.984 -11.695 105 HE ARG 13 HE ARG 13 0.462 -16.482 -10.896 106 HH11 ARG 13 1HH1 ARG 13 -1.339 -14.934 -13.501 107 HH12 ARG 13 2HH1 ARG 13 -0.409 -15.698 -14.747 108 HH21 ARG 13 1HH2 ARG 13 1.650 -17.477 -12.529 109 HH22 ARG 13 2HH2 ARG 13 1.290 -17.147 -14.194 110 H ILE 14 H ILE 14 -2.060 -11.601 -7.036 111 HA ILE 14 HA ILE 14 -4.452 -10.105 -7.240 112 HB ILE 14 HB ILE 14 -2.662 -10.634 -4.825 113 HG12 ILE 14 2HG1 ILE 14 -5.350 -11.845 -5.630 114 HG13 ILE 14 3HG1 ILE 14 -3.787 -12.633 -5.795 115 HG21 ILE 14 1HG2 ILE 14 -4.518 -9.861 -3.372 116 HG22 ILE 14 2HG2 ILE 14 -5.422 -9.351 -4.800 117 HG23 ILE 14 3HG2 ILE 14 -3.903 -8.556 -4.385 118 HD11 ILE 14 1HD1 ILE 14 -4.973 -13.503 -3.889 119 HD12 ILE 14 2HD1 ILE 14 -5.149 -11.889 -3.203 120 HD13 ILE 14 3HD1 ILE 14 -3.547 -12.622 -3.340 121 H LEU 15 H LEU 15 -1.118 -9.166 -6.478 122 HA LEU 15 HA LEU 15 -1.462 -6.467 -5.862 123 HB2 LEU 15 2HB LEU 15 0.870 -7.832 -7.241 124 HB3 LEU 15 3HB LEU 15 0.929 -6.202 -6.590 125 HG LEU 15 HG LEU 15 0.522 -8.737 -4.949 126 HD11 LEU 15 1HD1 LEU 15 2.783 -8.576 -5.875 127 HD12 LEU 15 2HD1 LEU 15 2.789 -8.348 -4.128 128 HD13 LEU 15 3HD1 LEU 15 2.960 -6.953 -5.199 129 HD21 LEU 15 1HD2 LEU 15 -0.606 -6.814 -3.914 130 HD22 LEU 15 2HD2 LEU 15 0.877 -5.863 -4.019 131 HD23 LEU 15 3HD2 LEU 15 0.810 -7.288 -2.979 132 H GLU 16 H GLU 16 -1.176 -8.020 -9.091 133 HA GLU 16 HA GLU 16 -1.119 -5.457 -10.457 134 HB2 GLU 16 2HB GLU 16 -0.997 -6.663 -12.539 135 HB3 GLU 16 3HB GLU 16 0.106 -7.405 -11.385 136 HG2 GLU 16 2HG GLU 16 -1.605 -9.179 -10.979 137 HG3 GLU 16 3HG GLU 16 -2.596 -8.469 -12.251 138 H GLU 17 H GLU 17 -3.583 -7.783 -9.531 139 HA GLU 17 HA GLU 17 -5.736 -6.712 -11.070 140 HB2 GLU 17 2HB GLU 17 -5.758 -8.174 -8.394 141 HB3 GLU 17 3HB GLU 17 -7.204 -7.797 -9.327 142 HG2 GLU 17 2HG GLU 17 -4.940 -9.618 -10.178 143 HG3 GLU 17 3HG GLU 17 -6.540 -10.121 -9.646 144 H LEU 18 H LEU 18 -4.355 -5.925 -7.928 145 HA LEU 18 HA LEU 18 -6.221 -3.837 -7.272 146 HB2 LEU 18 2HB LEU 18 -3.478 -4.523 -6.132 147 HB3 LEU 18 3HB LEU 18 -4.616 -3.393 -5.410 148 HG LEU 18 HG LEU 18 -5.015 -6.396 -5.718 149 HD11 LEU 18 1HD1 LEU 18 -4.971 -6.488 -3.287 150 HD12 LEU 18 2HD1 LEU 18 -4.654 -4.751 -3.207 151 HD13 LEU 18 3HD1 LEU 18 -3.463 -5.838 -3.927 152 HD21 LEU 18 1HD2 LEU 18 -7.108 -6.122 -4.483 153 HD22 LEU 18 2HD2 LEU 18 -7.147 -5.268 -6.020 154 HD23 LEU 18 3HD2 LEU 18 -6.915 -4.367 -4.519 155 H LEU 19 H LEU 19 -3.166 -4.089 -8.959 156 HA LEU 19 HA LEU 19 -2.377 -1.390 -9.079 157 HB2 LEU 19 2HB LEU 19 -0.835 -3.160 -9.660 158 HB3 LEU 19 3HB LEU 19 -1.884 -3.723 -10.946 159 HG LEU 19 HG LEU 19 -1.424 -1.600 -12.211 160 HD11 LEU 19 1HD1 LEU 19 0.449 -0.172 -11.544 161 HD12 LEU 19 2HD1 LEU 19 0.605 -1.073 -10.031 162 HD13 LEU 19 3HD1 LEU 19 -0.856 -0.138 -10.360 163 HD21 LEU 19 1HD2 LEU 19 0.832 -2.207 -12.944 164 HD22 LEU 19 2HD2 LEU 19 -0.173 -3.639 -12.728 165 HD23 LEU 19 3HD2 LEU 19 1.041 -3.225 -11.513 166 H GLU 20 H GLU 20 -4.489 -3.318 -11.256 167 HA GLU 20 HA GLU 20 -4.700 -1.365 -13.284 168 HB2 GLU 20 2HB GLU 20 -6.463 -2.639 -14.265 169 HB3 GLU 20 3HB GLU 20 -5.318 -3.791 -13.597 170 HG2 GLU 20 2HG GLU 20 -6.780 -4.486 -11.908 171 HG3 GLU 20 3HG GLU 20 -7.733 -3.007 -11.970 172 H VAL 21 H VAL 21 -6.384 -1.755 -10.243 173 HA VAL 21 HA VAL 21 -8.688 -0.190 -10.743 174 HB VAL 21 HB VAL 21 -7.283 -0.637 -8.065 175 HG11 VAL 21 1HG1 VAL 21 -10.163 0.163 -8.657 176 HG12 VAL 21 2HG1 VAL 21 -8.923 1.202 -7.952 177 HG13 VAL 21 3HG1 VAL 21 -9.508 -0.200 -7.056 178 HG21 VAL 21 1HG2 VAL 21 -8.864 -2.526 -7.755 179 HG22 VAL 21 2HG2 VAL 21 -7.807 -2.786 -9.145 180 HG23 VAL 21 3HG2 VAL 21 -9.480 -2.277 -9.391 181 H VAL 22 H VAL 22 -5.435 0.642 -9.532 182 HA VAL 22 HA VAL 22 -5.879 3.394 -9.030 183 HB VAL 22 HB VAL 22 -3.241 2.202 -10.014 184 HG11 VAL 22 1HG1 VAL 22 -3.827 4.689 -8.355 185 HG12 VAL 22 2HG1 VAL 22 -3.268 4.653 -10.028 186 HG13 VAL 22 3HG1 VAL 22 -2.213 4.081 -8.737 187 HG21 VAL 22 1HG2 VAL 22 -2.614 1.857 -7.649 188 HG22 VAL 22 2HG2 VAL 22 -4.026 0.887 -8.080 189 HG23 VAL 22 3HG2 VAL 22 -4.228 2.368 -7.140 190 H LEU 23 H LEU 23 -4.930 1.596 -11.914 191 HA LEU 23 HA LEU 23 -4.247 3.861 -13.522 192 HB2 LEU 23 2HB LEU 23 -4.765 0.981 -14.350 193 HB3 LEU 23 3HB LEU 23 -3.965 2.205 -15.333 194 HG LEU 23 HG LEU 23 -2.911 1.028 -12.729 195 HD11 LEU 23 1HD1 LEU 23 -1.158 0.017 -14.102 196 HD12 LEU 23 2HD1 LEU 23 -1.928 0.639 -15.565 197 HD13 LEU 23 3HD1 LEU 23 -2.760 -0.554 -14.562 198 HD21 LEU 23 1HD2 LEU 23 -2.241 3.369 -12.905 199 HD22 LEU 23 2HD2 LEU 23 -1.613 3.097 -14.533 200 HD23 LEU 23 3HD2 LEU 23 -0.855 2.310 -13.145 201 H LYS 24 H LYS 24 -7.179 1.851 -13.224 202 HA LYS 24 HA LYS 24 -8.552 2.917 -15.485 203 HB2 LYS 24 2HB LYS 24 -9.676 1.531 -13.007 204 HB3 LYS 24 3HB LYS 24 -10.626 1.940 -14.430 205 HG2 LYS 24 2HG LYS 24 -8.350 -0.068 -14.284 206 HG3 LYS 24 3HG LYS 24 -10.072 -0.428 -14.445 207 HD2 LYS 24 2HD LYS 24 -10.028 0.790 -16.669 208 HD3 LYS 24 3HD LYS 24 -8.274 0.925 -16.499 209 HE2 LYS 24 2HE LYS 24 -9.887 -1.645 -16.716 210 HE3 LYS 24 3HE LYS 24 -8.808 -0.968 -17.936 211 HZ1 LYS 24 1HZ LYS 24 -6.961 -1.288 -16.346 212 HZ2 LYS 24 2HZ LYS 24 -7.703 -2.733 -16.797 213 HZ3 LYS 24 3HZ LYS 24 -8.027 -2.063 -15.281 214 H SER 25 H SER 25 -8.288 3.802 -12.083 215 HA SER 25 HA SER 25 -10.190 5.947 -12.139 216 HB2 SER 25 2HB SER 25 -9.591 4.851 -10.012 217 HB3 SER 25 3HB SER 25 -7.913 5.357 -10.192 218 HG SER 25 HG SER 25 -8.636 7.537 -10.044 219 H ASP 26 H ASP 26 -6.701 6.294 -11.457 220 HA ASP 26 HA ASP 26 -6.354 8.344 -13.526 221 HB2 ASP 26 2HB ASP 26 -5.842 8.782 -10.550 222 HB3 ASP 26 3HB ASP 26 -5.134 9.803 -11.797 223 HA PRO 27 HA PRO 27 -2.365 6.034 -13.584 224 HB2 PRO 27 2HB PRO 27 -1.411 7.056 -15.920 225 HB3 PRO 27 3HB PRO 27 -2.719 5.851 -15.906 226 HG2 PRO 27 2HG PRO 27 -2.934 8.848 -16.172 227 HG3 PRO 27 3HG PRO 27 -3.730 7.578 -17.134 228 HD2 PRO 27 2HD PRO 27 -5.002 8.851 -15.081 229 HD3 PRO 27 3HD PRO 27 -5.347 7.164 -15.511 230 H ASN 28 H ASN 28 -3.082 9.243 -12.990 231 HA ASN 28 HA ASN 28 -0.516 10.500 -13.011 232 HB2 ASN 28 2HB ASN 28 -3.088 11.248 -11.549 233 HB3 ASN 28 3HB ASN 28 -1.659 12.278 -11.641 234 HD21 ASN 28 1HD2 ASN 28 -2.677 13.934 -12.739 235 HD22 ASN 28 2HD2 ASN 28 -3.229 13.793 -14.367 236 H VAL 29 H VAL 29 -2.224 8.508 -10.718 237 HA VAL 29 HA VAL 29 -0.505 9.073 -8.461 238 HB VAL 29 HB VAL 29 -2.367 6.694 -8.917 239 HG11 VAL 29 1HG1 VAL 29 -1.209 7.796 -6.327 240 HG12 VAL 29 2HG1 VAL 29 -0.726 6.292 -7.114 241 HG13 VAL 29 3HG1 VAL 29 -2.356 6.456 -6.456 242 HG21 VAL 29 1HG2 VAL 29 -3.626 8.808 -9.078 243 HG22 VAL 29 2HG2 VAL 29 -2.976 9.327 -7.520 244 HG23 VAL 29 3HG2 VAL 29 -4.053 7.931 -7.605 245 H LYS 30 H LYS 30 1.532 8.364 -8.362 246 HA LYS 30 HA LYS 30 2.769 6.664 -10.245 247 HB2 LYS 30 2HB LYS 30 4.066 8.366 -9.081 248 HB3 LYS 30 3HB LYS 30 3.709 7.646 -7.517 249 HG2 LYS 30 2HG LYS 30 6.017 7.167 -8.209 250 HG3 LYS 30 3HG LYS 30 5.070 5.683 -8.071 251 HD2 LYS 30 2HD LYS 30 4.716 5.911 -10.650 252 HD3 LYS 30 3HD LYS 30 6.033 7.087 -10.592 253 HE2 LYS 30 2HE LYS 30 7.539 5.385 -9.698 254 HE3 LYS 30 3HE LYS 30 6.217 4.216 -9.624 255 HZ1 LYS 30 1HZ LYS 30 7.361 5.429 -12.076 256 HZ2 LYS 30 2HZ LYS 30 6.031 4.388 -12.040 257 HZ3 LYS 30 3HZ LYS 30 7.550 3.832 -11.554 258 H THR 31 H THR 31 3.175 4.477 -10.240 259 HA THR 31 HA THR 31 2.293 2.858 -7.914 260 HB THR 31 HB THR 31 1.427 1.173 -9.609 261 HG1 THR 31 HG1 THR 31 2.647 2.550 -11.356 262 HG21 THR 31 1HG2 THR 31 -0.165 2.620 -8.421 263 HG22 THR 31 2HG2 THR 31 -0.689 2.361 -10.086 264 HG23 THR 31 3HG2 THR 31 0.067 3.888 -9.631 265 H VAL 32 H VAL 32 3.539 1.183 -7.364 266 HA VAL 32 HA VAL 32 5.723 0.206 -9.101 267 HB VAL 32 HB VAL 32 6.022 0.961 -6.149 268 HG11 VAL 32 1HG1 VAL 32 8.389 0.257 -6.356 269 HG12 VAL 32 2HG1 VAL 32 8.065 -0.329 -7.989 270 HG13 VAL 32 3HG1 VAL 32 7.277 -1.093 -6.605 271 HG21 VAL 32 1HG2 VAL 32 7.384 2.171 -8.583 272 HG22 VAL 32 2HG2 VAL 32 7.712 2.597 -6.900 273 HG23 VAL 32 3HG2 VAL 32 6.130 2.941 -7.604 274 H ARG 33 H ARG 33 5.816 -2.015 -9.095 275 HA ARG 33 HA ARG 33 4.640 -3.516 -6.821 276 HB2 ARG 33 2HB ARG 33 3.245 -3.752 -8.888 277 HB3 ARG 33 3HB ARG 33 4.639 -4.397 -9.747 278 HG2 ARG 33 2HG ARG 33 4.694 -6.335 -8.205 279 HG3 ARG 33 3HG ARG 33 3.312 -5.677 -7.327 280 HD2 ARG 33 2HD ARG 33 2.537 -7.419 -8.818 281 HD3 ARG 33 3HD ARG 33 1.951 -5.863 -9.408 282 HE ARG 33 HE ARG 33 4.215 -6.161 -10.818 283 HH11 ARG 33 1HH1 ARG 33 1.581 -8.453 -10.292 284 HH12 ARG 33 2HH1 ARG 33 1.808 -9.235 -11.820 285 HH21 ARG 33 1HH2 ARG 33 4.486 -7.189 -12.805 286 HH22 ARG 33 2HH2 ARG 33 3.461 -8.515 -13.248 287 H THR 34 H THR 34 6.530 -3.758 -5.738 288 HA THR 34 HA THR 34 8.853 -5.051 -7.069 289 HB THR 34 HB THR 34 9.351 -2.780 -6.206 290 HG1 THR 34 HG1 THR 34 11.249 -3.522 -5.708 291 HG21 THR 34 1HG2 THR 34 7.696 -2.656 -4.380 292 HG22 THR 34 2HG2 THR 34 9.319 -2.277 -3.800 293 HG23 THR 34 3HG2 THR 34 8.612 -3.858 -3.464 294 H ASP 35 H ASP 35 10.174 -6.373 -5.420 295 HA ASP 35 HA ASP 35 8.457 -7.843 -3.481 296 HB2 ASP 35 2HB ASP 35 9.895 -9.818 -3.860 297 HB3 ASP 35 3HB ASP 35 9.170 -9.280 -5.369 298 H ASP 36 H ASP 36 11.032 -5.711 -3.845 299 HA ASP 36 HA ASP 36 12.518 -6.586 -1.453 300 HB2 ASP 36 2HB ASP 36 13.771 -6.075 -3.589 301 HB3 ASP 36 3HB ASP 36 13.211 -4.413 -3.485 302 H LYS 37 H LYS 37 12.541 -5.387 0.394 303 HA LYS 37 HA LYS 37 10.363 -3.595 0.850 304 HB2 LYS 37 2HB LYS 37 10.969 -3.594 3.188 305 HB3 LYS 37 3HB LYS 37 11.043 -5.228 2.572 306 HG2 LYS 37 2HG LYS 37 13.489 -3.493 3.057 307 HG3 LYS 37 3HG LYS 37 12.817 -4.611 4.245 308 HD2 LYS 37 2HD LYS 37 13.157 -6.449 2.479 309 HD3 LYS 37 3HD LYS 37 14.116 -5.268 1.579 310 HE2 LYS 37 2HE LYS 37 14.682 -6.311 4.379 311 HE3 LYS 37 3HE LYS 37 15.573 -6.712 2.913 312 HZ1 LYS 37 1HZ LYS 37 16.768 -5.086 4.200 313 HZ2 LYS 37 2HZ LYS 37 15.444 -4.041 4.214 314 HZ3 LYS 37 3HZ LYS 37 16.244 -4.366 2.761 315 H GLU 38 H GLU 38 13.890 -3.075 0.688 316 HA GLU 38 HA GLU 38 13.547 -0.291 1.503 317 HB2 GLU 38 2HB GLU 38 16.065 -1.901 0.988 318 HB3 GLU 38 3HB GLU 38 16.049 -0.201 1.467 319 HG2 GLU 38 2HG GLU 38 14.606 -0.966 3.473 320 HG3 GLU 38 3HG GLU 38 15.112 -2.599 3.055 321 H LYS 39 H LYS 39 13.765 -2.021 -1.439 322 HA LYS 39 HA LYS 39 14.498 0.052 -3.206 323 HB2 LYS 39 2HB LYS 39 14.219 -2.308 -3.972 324 HB3 LYS 39 3HB LYS 39 12.489 -2.206 -3.662 325 HG2 LYS 39 2HG LYS 39 12.835 -1.944 -6.036 326 HG3 LYS 39 3HG LYS 39 12.323 -0.386 -5.376 327 HD2 LYS 39 2HD LYS 39 14.858 0.185 -5.253 328 HD3 LYS 39 3HD LYS 39 15.098 -1.224 -6.292 329 HE2 LYS 39 2HE LYS 39 13.515 1.287 -6.919 330 HE3 LYS 39 3HE LYS 39 15.011 0.750 -7.684 331 HZ1 LYS 39 1HZ LYS 39 13.744 -1.207 -8.506 332 HZ2 LYS 39 2HZ LYS 39 13.205 0.269 -9.127 333 HZ3 LYS 39 3HZ LYS 39 12.324 -0.499 -7.905 334 H VAL 40 H VAL 40 11.436 -0.837 -1.658 335 HA VAL 40 HA VAL 40 9.633 0.952 -2.774 336 HB VAL 40 HB VAL 40 9.774 0.113 0.162 337 HG11 VAL 40 1HG1 VAL 40 8.255 1.997 -0.151 338 HG12 VAL 40 2HG1 VAL 40 7.330 0.535 0.194 339 HG13 VAL 40 3HG1 VAL 40 7.429 1.148 -1.457 340 HG21 VAL 40 1HG2 VAL 40 9.745 -1.858 -1.314 341 HG22 VAL 40 2HG2 VAL 40 8.298 -1.250 -2.120 342 HG23 VAL 40 3HG2 VAL 40 8.229 -1.716 -0.419 343 H LYS 41 H LYS 41 11.900 1.412 -0.074 344 HA LYS 41 HA LYS 41 11.107 3.983 0.762 345 HB2 LYS 41 2HB LYS 41 13.831 2.651 0.985 346 HB3 LYS 41 3HB LYS 41 13.328 4.091 1.876 347 HG2 LYS 41 2HG LYS 41 11.589 2.787 3.020 348 HG3 LYS 41 3HG LYS 41 12.078 1.336 2.126 349 HD2 LYS 41 2HD LYS 41 14.346 1.498 3.141 350 HD3 LYS 41 3HD LYS 41 13.832 2.926 4.047 351 HE2 LYS 41 2HE LYS 41 12.202 1.584 5.272 352 HE3 LYS 41 3HE LYS 41 12.626 0.158 4.320 353 HZ1 LYS 41 1HZ LYS 41 13.742 0.078 6.419 354 HZ2 LYS 41 2HZ LYS 41 14.394 1.622 6.204 355 HZ3 LYS 41 3HZ LYS 41 14.902 0.346 5.215 356 H GLU 42 H GLU 42 13.611 2.918 -1.525 357 HA GLU 42 HA GLU 42 14.704 5.411 -2.220 358 HB2 GLU 42 2HB GLU 42 14.430 2.908 -3.939 359 HB3 GLU 42 3HB GLU 42 15.477 4.281 -4.308 360 HG2 GLU 42 2HG GLU 42 16.790 3.841 -2.271 361 HG3 GLU 42 3HG GLU 42 15.734 2.483 -1.872 362 H GLU 43 H GLU 43 11.885 3.657 -3.422 363 HA GLU 43 HA GLU 43 11.304 5.603 -5.496 364 HB2 GLU 43 2HB GLU 43 9.762 3.121 -4.645 365 HB3 GLU 43 3HB GLU 43 9.434 4.098 -6.082 366 HG2 GLU 43 2HG GLU 43 11.945 3.626 -6.676 367 HG3 GLU 43 3HG GLU 43 11.807 2.318 -5.505 368 H ILE 44 H ILE 44 10.383 5.141 -2.193 369 HA ILE 44 HA ILE 44 8.114 6.872 -2.114 370 HB ILE 44 HB ILE 44 10.154 6.049 0.002 371 HG12 ILE 44 2HG1 ILE 44 7.182 5.413 -0.274 372 HG13 ILE 44 3HG1 ILE 44 8.503 4.327 -0.678 373 HG21 ILE 44 1HG2 ILE 44 7.776 7.872 0.499 374 HG22 ILE 44 2HG2 ILE 44 9.477 8.330 0.598 375 HG23 ILE 44 3HG2 ILE 44 8.811 7.172 1.749 376 HD11 ILE 44 1HD1 ILE 44 7.525 3.712 1.430 377 HD12 ILE 44 2HD1 ILE 44 7.795 5.329 2.077 378 HD13 ILE 44 3HD1 ILE 44 9.171 4.289 1.692 379 H GLU 45 H GLU 45 11.641 7.329 -1.857 380 HA GLU 45 HA GLU 45 11.726 10.124 -1.460 381 HB2 GLU 45 2HB GLU 45 13.750 8.330 -2.864 382 HB3 GLU 45 3HB GLU 45 14.060 9.992 -2.359 383 HG2 GLU 45 2HG GLU 45 13.748 9.343 -0.005 384 HG3 GLU 45 3HG GLU 45 13.418 7.680 -0.497 385 H LYS 46 H LYS 46 11.693 8.146 -4.427 386 HA LYS 46 HA LYS 46 12.060 10.148 -6.358 387 HB2 LYS 46 2HB LYS 46 10.476 7.552 -6.574 388 HB3 LYS 46 3HB LYS 46 10.934 8.555 -7.951 389 HG2 LYS 46 2HG LYS 46 13.317 8.144 -7.475 390 HG3 LYS 46 3HG LYS 46 12.878 7.179 -6.064 391 HD2 LYS 46 2HD LYS 46 13.374 5.632 -7.826 392 HD3 LYS 46 3HD LYS 46 11.623 5.619 -7.621 393 HE2 LYS 46 2HE LYS 46 12.121 5.609 -9.985 394 HE3 LYS 46 3HE LYS 46 11.457 7.194 -9.586 395 HZ1 LYS 46 1HZ LYS 46 13.376 7.408 -11.016 396 HZ2 LYS 46 2HZ LYS 46 14.336 6.536 -9.934 397 HZ3 LYS 46 3HZ LYS 46 13.739 8.054 -9.497 398 H ALA 47 H ALA 47 9.013 8.768 -5.078 399 HA ALA 47 HA ALA 47 7.253 10.504 -6.481 400 HB1 ALA 47 1HB ALA 47 5.508 9.606 -4.999 401 HB2 ALA 47 2HB ALA 47 6.746 8.872 -3.973 402 HB3 ALA 47 3HB ALA 47 6.535 8.317 -5.634 403 H ARG 48 H ARG 48 8.934 10.785 -3.407 404 HA ARG 48 HA ARG 48 7.418 12.902 -2.254 405 HB2 ARG 48 2HB ARG 48 8.856 11.464 -0.889 406 HB3 ARG 48 3HB ARG 48 10.279 11.974 -1.781 407 HG2 ARG 48 2HG ARG 48 10.249 13.046 0.389 408 HG3 ARG 48 3HG ARG 48 10.028 14.261 -0.873 409 HD2 ARG 48 2HD ARG 48 7.596 14.293 -0.417 410 HD3 ARG 48 3HD ARG 48 7.810 13.064 0.839 411 HE ARG 48 HE ARG 48 8.654 15.882 0.944 412 HH11 ARG 48 1HH1 ARG 48 8.415 12.794 2.614 413 HH12 ARG 48 2HH1 ARG 48 8.734 13.480 4.174 414 HH21 ARG 48 1HH2 ARG 48 9.127 16.752 2.986 415 HH22 ARG 48 2HH2 ARG 48 9.137 15.725 4.384 416 H LYS 49 H LYS 49 10.321 12.828 -4.302 417 HA LYS 49 HA LYS 49 10.836 15.652 -4.294 418 HB2 LYS 49 2HB LYS 49 11.767 13.488 -6.235 419 HB3 LYS 49 3HB LYS 49 12.414 15.128 -6.162 420 HG2 LYS 49 2HG LYS 49 13.294 14.735 -3.929 421 HG3 LYS 49 3HG LYS 49 12.536 13.141 -3.875 422 HD2 LYS 49 2HD LYS 49 13.988 12.465 -5.828 423 HD3 LYS 49 3HD LYS 49 14.810 14.025 -5.693 424 HE2 LYS 49 2HE LYS 49 14.734 11.814 -3.606 425 HE3 LYS 49 3HE LYS 49 16.131 12.328 -4.554 426 HZ1 LYS 49 1HZ LYS 49 14.720 13.888 -2.458 427 HZ2 LYS 49 2HZ LYS 49 15.928 14.524 -3.454 428 HZ3 LYS 49 3HZ LYS 49 16.292 13.263 -2.390 429 H GLN 50 H GLN 50 8.983 13.453 -6.307 430 HA GLN 50 HA GLN 50 8.263 15.364 -8.340 431 HB2 GLN 50 2HB GLN 50 7.066 12.655 -7.604 432 HB3 GLN 50 3HB GLN 50 6.620 13.588 -9.029 433 HG2 GLN 50 2HG GLN 50 9.410 12.520 -8.480 434 HG3 GLN 50 3HG GLN 50 8.210 11.713 -9.485 435 HE21 GLN 50 1HE2 GLN 50 7.741 12.566 -11.530 436 HE22 GLN 50 2HE2 GLN 50 8.745 13.749 -12.291 437 H GLY 51 H GLY 51 7.059 14.469 -5.197 438 HA2 GLY 51 2HA GLY 51 5.392 15.302 -3.862 439 HA3 GLY 51 3HA GLY 51 5.142 16.584 -5.042 440 H ARG 52 H ARG 52 4.885 13.053 -5.353 441 HA ARG 52 HA ARG 52 2.103 13.311 -6.318 442 HB2 ARG 52 2HB ARG 52 4.225 11.284 -7.174 443 HB3 ARG 52 3HB ARG 52 2.563 11.326 -7.757 444 HG2 ARG 52 2HG ARG 52 4.683 13.446 -8.235 445 HG3 ARG 52 3HG ARG 52 4.104 12.265 -9.414 446 HD2 ARG 52 2HD ARG 52 2.526 14.545 -8.171 447 HD3 ARG 52 3HD ARG 52 3.058 14.408 -9.849 448 HE ARG 52 HE ARG 52 1.560 12.269 -9.771 449 HH11 ARG 52 1HH1 ARG 52 0.824 15.363 -8.284 450 HH12 ARG 52 2HH1 ARG 52 -0.894 15.148 -8.402 451 HH21 ARG 52 1HH2 ARG 52 -0.684 11.984 -9.850 452 HH22 ARG 52 2HH2 ARG 52 -1.744 13.230 -9.289 453 HA PRO 53 HA PRO 53 1.096 10.036 -3.280 454 HB2 PRO 53 2HB PRO 53 -1.236 9.113 -4.437 455 HB3 PRO 53 3HB PRO 53 -1.165 10.614 -3.487 456 HG2 PRO 53 2HG PRO 53 -1.140 10.270 -6.473 457 HG3 PRO 53 3HG PRO 53 -2.023 11.461 -5.487 458 HD2 PRO 53 2HD PRO 53 0.298 12.075 -6.784 459 HD3 PRO 53 3HD PRO 53 -0.163 12.846 -5.249 460 H ILE 54 H ILE 54 1.767 7.935 -3.248 461 HA ILE 54 HA ILE 54 2.177 6.466 -5.764 462 HB ILE 54 HB ILE 54 4.332 7.366 -4.927 463 HG12 ILE 54 2HG1 ILE 54 4.238 4.334 -4.613 464 HG13 ILE 54 3HG1 ILE 54 4.229 5.171 -6.159 465 HG21 ILE 54 1HG2 ILE 54 3.886 5.694 -2.434 466 HG22 ILE 54 2HG2 ILE 54 3.851 7.456 -2.519 467 HG23 ILE 54 3HG2 ILE 54 5.356 6.590 -2.833 468 HD11 ILE 54 1HD1 ILE 54 6.444 6.093 -5.678 469 HD12 ILE 54 2HD1 ILE 54 6.431 4.331 -5.639 470 HD13 ILE 54 3HD1 ILE 54 6.462 5.241 -4.129 471 H VAL 55 H VAL 55 1.649 4.342 -5.748 472 HA VAL 55 HA VAL 55 0.640 3.086 -3.273 473 HB VAL 55 HB VAL 55 -0.366 2.492 -6.106 474 HG11 VAL 55 1HG1 VAL 55 -0.524 0.573 -4.565 475 HG12 VAL 55 2HG1 VAL 55 -2.133 1.194 -4.939 476 HG13 VAL 55 3HG1 VAL 55 -1.381 1.572 -3.387 477 HG21 VAL 55 1HG2 VAL 55 -2.472 3.627 -5.468 478 HG22 VAL 55 2HG2 VAL 55 -1.110 4.749 -5.431 479 HG23 VAL 55 3HG2 VAL 55 -1.754 4.098 -3.922 480 H ILE 56 H ILE 56 1.888 1.482 -2.713 481 HA ILE 56 HA ILE 56 3.836 0.265 -4.552 482 HB ILE 56 HB ILE 56 3.774 0.314 -1.496 483 HG12 ILE 56 2HG1 ILE 56 4.242 2.571 -2.561 484 HG13 ILE 56 3HG1 ILE 56 5.556 1.965 -1.560 485 HG21 ILE 56 1HG2 ILE 56 6.079 -0.590 -1.613 486 HG22 ILE 56 2HG2 ILE 56 5.949 -0.701 -3.370 487 HG23 ILE 56 3HG2 ILE 56 4.912 -1.693 -2.343 488 HD11 ILE 56 1HD1 ILE 56 5.450 1.886 -4.571 489 HD12 ILE 56 2HD1 ILE 56 6.774 1.287 -3.564 490 HD13 ILE 56 3HD1 ILE 56 6.377 3.003 -3.573 491 H PHE 57 H PHE 57 3.873 -1.930 -4.800 492 HA PHE 57 HA PHE 57 1.897 -3.638 -3.413 493 HB2 PHE 57 2HB PHE 57 2.717 -3.782 -6.359 494 HB3 PHE 57 3HB PHE 57 1.594 -4.865 -5.553 495 HD1 PHE 57 HD1 PHE 57 -0.648 -4.007 -4.813 496 HD2 PHE 57 HD2 PHE 57 1.982 -1.632 -7.210 497 HE1 PHE 57 HE1 PHE 57 -2.512 -2.524 -5.408 498 HE2 PHE 57 HE2 PHE 57 0.108 -0.158 -7.796 499 HZ PHE 57 HZ PHE 57 -2.140 -0.604 -6.894 500 H ILE 58 H ILE 58 3.212 -4.850 -2.085 501 HA ILE 58 HA ILE 58 5.914 -5.624 -3.032 502 HB ILE 58 HB ILE 58 4.936 -5.839 -0.159 503 HG12 ILE 58 2HG1 ILE 58 6.455 -3.437 -1.273 504 HG13 ILE 58 3HG1 ILE 58 4.708 -3.446 -1.063 505 HG21 ILE 58 1HG2 ILE 58 7.365 -5.766 0.365 506 HG22 ILE 58 2HG2 ILE 58 7.735 -5.626 -1.356 507 HG23 ILE 58 3HG2 ILE 58 6.987 -7.097 -0.732 508 HD11 ILE 58 1HD1 ILE 58 5.821 -2.320 0.768 509 HD12 ILE 58 2HD1 ILE 58 6.739 -3.778 1.142 510 HD13 ILE 58 3HD1 ILE 58 4.983 -3.763 1.336 511 H ARG 59 H ARG 59 6.213 -7.692 -3.634 512 HA ARG 59 HA ARG 59 4.194 -9.711 -3.251 513 HB2 ARG 59 2HB ARG 59 5.592 -9.509 -5.341 514 HB3 ARG 59 3HB ARG 59 6.996 -10.042 -4.419 515 HG2 ARG 59 2HG ARG 59 5.726 -12.182 -3.909 516 HG3 ARG 59 3HG ARG 59 4.477 -11.630 -5.026 517 HD2 ARG 59 2HD ARG 59 5.909 -13.168 -6.202 518 HD3 ARG 59 3HD ARG 59 6.215 -11.550 -6.838 519 HE ARG 59 HE ARG 59 7.974 -12.774 -4.797 520 HH11 ARG 59 1HH1 ARG 59 7.634 -11.242 -7.963 521 HH12 ARG 59 2HH1 ARG 59 9.345 -11.154 -8.228 522 HH21 ARG 59 1HH2 ARG 59 10.188 -12.647 -5.151 523 HH22 ARG 59 2HH2 ARG 59 10.798 -11.955 -6.623 524 H GLY 60 H GLY 60 3.982 -10.517 -1.249 525 HA2 GLY 60 2HA GLY 60 4.408 -11.922 0.517 526 HA3 GLY 60 3HA GLY 60 6.010 -12.214 -0.138 527 H ALA 61 H ALA 61 4.495 -9.162 0.892 528 HA ALA 61 HA ALA 61 6.768 -8.304 2.379 529 HB1 ALA 61 1HB ALA 61 3.938 -7.219 2.424 530 HB2 ALA 61 2HB ALA 61 5.220 -6.717 1.333 531 HB3 ALA 61 3HB ALA 61 5.367 -6.403 3.059 532 H THR 62 H THR 62 7.366 -9.248 4.236 533 HA THR 62 HA THR 62 5.536 -10.563 6.064 534 HB THR 62 HB THR 62 7.606 -11.051 7.389 535 HG1 THR 62 HG1 THR 62 9.623 -10.369 6.454 536 HG21 THR 62 1HG2 THR 62 7.936 -11.602 4.414 537 HG22 THR 62 2HG2 THR 62 6.990 -12.580 5.540 538 HG23 THR 62 3HG2 THR 62 8.740 -12.472 5.724 539 H GLU 63 H GLU 63 5.887 -10.077 8.490 540 HA GLU 63 HA GLU 63 4.779 -7.703 9.280 541 HB2 GLU 63 2HB GLU 63 6.743 -9.403 10.870 542 HB3 GLU 63 3HB GLU 63 5.647 -8.213 11.568 543 HG2 GLU 63 2HG GLU 63 3.713 -9.541 10.927 544 HG3 GLU 63 3HG GLU 63 4.738 -10.683 10.055 545 H GLU 64 H GLU 64 8.275 -8.482 9.255 546 HA GLU 64 HA GLU 64 9.212 -6.050 10.296 547 HB2 GLU 64 2HB GLU 64 11.439 -6.713 9.529 548 HB3 GLU 64 3HB GLU 64 10.620 -8.077 10.274 549 HG2 GLU 64 2HG GLU 64 10.200 -9.094 8.114 550 HG3 GLU 64 3HG GLU 64 10.794 -7.668 7.269 551 H VAL 65 H VAL 65 8.750 -7.149 6.931 552 HA VAL 65 HA VAL 65 9.928 -5.009 5.550 553 HB VAL 65 HB VAL 65 7.700 -6.946 4.778 554 HG11 VAL 65 1HG1 VAL 65 8.072 -6.314 2.398 555 HG12 VAL 65 2HG1 VAL 65 9.101 -4.985 2.929 556 HG13 VAL 65 3HG1 VAL 65 7.390 -4.989 3.344 557 HG21 VAL 65 1HG2 VAL 65 9.919 -7.959 5.175 558 HG22 VAL 65 2HG2 VAL 65 10.639 -6.861 3.994 559 HG23 VAL 65 3HG2 VAL 65 9.469 -8.074 3.470 560 H VAL 66 H VAL 66 6.491 -5.559 6.358 561 HA VAL 66 HA VAL 66 5.464 -3.266 5.099 562 HB VAL 66 HB VAL 66 4.172 -4.678 7.483 563 HG11 VAL 66 1HG1 VAL 66 2.039 -3.902 6.480 564 HG12 VAL 66 2HG1 VAL 66 2.934 -3.089 5.195 565 HG13 VAL 66 3HG1 VAL 66 3.097 -2.540 6.865 566 HG21 VAL 66 1HG2 VAL 66 3.946 -5.414 4.538 567 HG22 VAL 66 2HG2 VAL 66 3.036 -6.152 5.860 568 HG23 VAL 66 3HG2 VAL 66 4.784 -6.351 5.772 569 H ARG 67 H ARG 67 6.054 -3.882 8.603 570 HA ARG 67 HA ARG 67 5.194 -1.344 9.487 571 HB2 ARG 67 2HB ARG 67 6.021 -1.941 11.659 572 HB3 ARG 67 3HB ARG 67 5.417 -3.421 10.921 573 HG2 ARG 67 2HG ARG 67 7.754 -4.068 10.359 574 HG3 ARG 67 3HG ARG 67 8.334 -2.596 11.142 575 HD2 ARG 67 2HD ARG 67 6.869 -4.890 12.481 576 HD3 ARG 67 3HD ARG 67 8.592 -4.523 12.611 577 HE ARG 67 HE ARG 67 6.820 -2.382 13.452 578 HH11 ARG 67 1HH1 ARG 67 8.646 -5.205 14.525 579 HH12 ARG 67 2HH1 ARG 67 8.675 -4.697 16.186 580 HH21 ARG 67 1HH2 ARG 67 6.824 -1.767 15.639 581 HH22 ARG 67 2HH2 ARG 67 7.641 -2.749 16.814 582 H ASP 68 H ASP 68 8.319 -2.466 8.361 583 HA ASP 68 HA ASP 68 9.997 -0.418 9.410 584 HB2 ASP 68 2HB ASP 68 10.863 -2.605 8.737 585 HB3 ASP 68 3HB ASP 68 10.306 -2.363 7.087 586 H ILE 69 H ILE 69 8.402 -0.924 6.286 587 HA ILE 69 HA ILE 69 9.323 1.511 5.055 588 HB ILE 69 HB ILE 69 7.000 -0.319 4.315 589 HG12 ILE 69 2HG1 ILE 69 9.801 -0.289 3.093 590 HG13 ILE 69 3HG1 ILE 69 9.327 -1.387 4.387 591 HG21 ILE 69 1HG2 ILE 69 8.403 1.795 2.641 592 HG22 ILE 69 2HG2 ILE 69 6.757 1.888 3.272 593 HG23 ILE 69 3HG2 ILE 69 7.165 0.678 2.059 594 HD11 ILE 69 1HD1 ILE 69 8.076 -1.264 1.648 595 HD12 ILE 69 2HD1 ILE 69 7.631 -2.370 2.953 596 HD13 ILE 69 3HD1 ILE 69 9.232 -2.463 2.227 597 H VAL 70 H VAL 70 6.366 0.513 6.737 598 HA VAL 70 HA VAL 70 4.738 2.751 6.290 599 HB VAL 70 HB VAL 70 4.767 0.753 8.602 600 HG11 VAL 70 1HG1 VAL 70 3.750 2.826 9.460 601 HG12 VAL 70 2HG1 VAL 70 2.517 1.581 9.256 602 HG13 VAL 70 3HG1 VAL 70 2.658 2.886 8.075 603 HG21 VAL 70 1HG2 VAL 70 2.767 -0.195 7.506 604 HG22 VAL 70 2HG2 VAL 70 4.127 -0.164 6.384 605 HG23 VAL 70 3HG2 VAL 70 2.851 1.045 6.249 606 H GLU 71 H GLU 71 6.902 2.037 9.098 607 HA GLU 71 HA GLU 71 6.441 4.515 10.391 608 HB2 GLU 71 2HB GLU 71 8.220 3.924 11.934 609 HB3 GLU 71 3HB GLU 71 7.211 2.527 11.625 610 HG2 GLU 71 2HG GLU 71 9.248 1.488 11.533 611 HG3 GLU 71 3HG GLU 71 9.133 1.967 9.844 612 H TYR 72 H TYR 72 8.830 3.465 8.012 613 HA TYR 72 HA TYR 72 10.610 5.612 8.015 614 HB2 TYR 72 2HB TYR 72 11.038 3.608 6.670 615 HB3 TYR 72 3HB TYR 72 9.610 3.904 5.690 616 HD1 TYR 72 HD1 TYR 72 13.012 5.257 6.486 617 HD2 TYR 72 HD2 TYR 72 9.762 5.265 3.695 618 HE1 TYR 72 HE1 TYR 72 14.387 6.506 4.879 619 HE2 TYR 72 HE2 TYR 72 11.142 6.518 2.098 620 HH TYR 72 HH TYR 72 13.118 7.999 2.109 621 H ALA 73 H ALA 73 7.619 5.194 6.109 622 HA ALA 73 HA ALA 73 7.669 7.732 4.852 623 HB1 ALA 73 1HB ALA 73 5.341 5.834 5.272 624 HB2 ALA 73 2HB ALA 73 6.461 5.819 3.908 625 HB3 ALA 73 3HB ALA 73 5.375 7.192 4.141 626 H GLN 74 H GLN 74 6.194 6.557 7.865 627 HA GLN 74 HA GLN 74 4.616 8.834 8.495 628 HB2 GLN 74 2HB GLN 74 5.903 6.804 10.377 629 HB3 GLN 74 3HB GLN 74 4.664 7.970 10.847 630 HG2 GLN 74 2HG GLN 74 3.086 6.898 9.261 631 HG3 GLN 74 3HG GLN 74 4.323 5.718 8.849 632 HE21 GLN 74 1HE2 GLN 74 2.011 6.704 11.220 633 HE22 GLN 74 2HE2 GLN 74 2.167 5.310 12.225 634 H LYS 75 H LYS 75 7.978 7.988 9.164 635 HA LYS 75 HA LYS 75 8.604 10.276 10.772 636 HB2 LYS 75 2HB LYS 75 10.313 8.210 9.353 637 HB3 LYS 75 3HB LYS 75 11.011 9.505 10.319 638 HG2 LYS 75 2HG LYS 75 10.107 8.633 12.348 639 HG3 LYS 75 3HG LYS 75 8.992 7.566 11.490 640 HD2 LYS 75 2HD LYS 75 10.897 6.306 12.462 641 HD3 LYS 75 3HD LYS 75 10.841 6.176 10.705 642 HE2 LYS 75 2HE LYS 75 12.636 7.901 10.547 643 HE3 LYS 75 3HE LYS 75 12.708 7.959 12.309 644 HZ1 LYS 75 1HZ LYS 75 13.214 5.535 10.676 645 HZ2 LYS 75 2HZ LYS 75 13.380 5.663 12.349 646 HZ3 LYS 75 3HZ LYS 75 14.418 6.524 11.330 647 H GLU 76 H GLU 76 8.598 9.621 7.313 648 HA GLU 76 HA GLU 76 9.915 12.064 6.537 649 HB2 GLU 76 2HB GLU 76 8.066 10.238 4.938 650 HB3 GLU 76 3HB GLU 76 9.027 11.549 4.261 651 HG2 GLU 76 2HG GLU 76 10.067 8.998 5.524 652 HG3 GLU 76 3HG GLU 76 10.073 9.401 3.811 653 H GLY 77 H GLY 77 6.725 11.216 7.585 654 HA2 GLY 77 2HA GLY 77 5.048 12.703 8.260 655 HA3 GLY 77 3HA GLY 77 5.788 13.990 7.316 656 H LEU 78 H LEU 78 4.937 10.738 6.268 657 HA LEU 78 HA LEU 78 3.179 11.852 4.161 658 HB2 LEU 78 2HB LEU 78 4.761 9.243 4.078 659 HB3 LEU 78 3HB LEU 78 3.879 9.987 2.749 660 HG LEU 78 HG LEU 78 6.419 11.070 4.039 661 HD11 LEU 78 1HD1 LEU 78 6.010 9.844 1.302 662 HD12 LEU 78 2HD1 LEU 78 6.864 9.119 2.668 663 HD13 LEU 78 3HD1 LEU 78 7.506 10.571 1.906 664 HD21 LEU 78 1HD2 LEU 78 6.434 12.787 2.304 665 HD22 LEU 78 2HD2 LEU 78 4.983 12.915 3.292 666 HD23 LEU 78 3HD2 LEU 78 4.890 12.202 1.680 667 H ARG 79 H ARG 79 1.151 10.986 3.935 668 HA ARG 79 HA ARG 79 0.007 9.507 6.100 669 HB2 ARG 79 2HB ARG 79 -1.301 11.228 4.987 670 HB3 ARG 79 3HB ARG 79 -1.119 10.432 3.432 671 HG2 ARG 79 2HG ARG 79 -3.364 10.100 4.277 672 HG3 ARG 79 3HG ARG 79 -2.527 8.559 4.214 673 HD2 ARG 79 2HD ARG 79 -2.676 10.143 6.786 674 HD3 ARG 79 3HD ARG 79 -4.010 9.123 6.281 675 HE ARG 79 HE ARG 79 -2.290 7.258 6.260 676 HH11 ARG 79 1HH1 ARG 79 -2.015 9.976 8.488 677 HH12 ARG 79 2HH1 ARG 79 -1.143 9.062 9.681 678 HH21 ARG 79 1HH2 ARG 79 -1.122 6.097 7.815 679 HH22 ARG 79 2HH2 ARG 79 -0.640 6.866 9.296 680 H VAL 80 H VAL 80 0.180 7.391 6.321 681 HA VAL 80 HA VAL 80 0.677 5.634 4.018 682 HB VAL 80 HB VAL 80 0.883 4.915 6.979 683 HG11 VAL 80 1HG1 VAL 80 1.998 3.538 4.500 684 HG12 VAL 80 2HG1 VAL 80 0.639 2.973 5.474 685 HG13 VAL 80 3HG1 VAL 80 2.260 3.021 6.169 686 HG21 VAL 80 1HG2 VAL 80 3.114 5.830 5.118 687 HG22 VAL 80 2HG2 VAL 80 3.328 5.241 6.770 688 HG23 VAL 80 3HG2 VAL 80 2.459 6.749 6.475 689 H LEU 81 H LEU 81 -0.925 4.458 3.211 690 HA LEU 81 HA LEU 81 -3.240 3.621 4.896 691 HB2 LEU 81 2HB LEU 81 -3.264 4.001 1.862 692 HB3 LEU 81 3HB LEU 81 -4.619 3.583 2.884 693 HG LEU 81 HG LEU 81 -4.936 5.828 2.148 694 HD11 LEU 81 1HD1 LEU 81 -5.057 7.121 4.194 695 HD12 LEU 81 2HD1 LEU 81 -4.005 5.961 5.012 696 HD13 LEU 81 3HD1 LEU 81 -5.601 5.463 4.440 697 HD21 LEU 81 1HD2 LEU 81 -2.639 6.344 1.498 698 HD22 LEU 81 2HD2 LEU 81 -2.204 6.551 3.198 699 HD23 LEU 81 3HD2 LEU 81 -3.370 7.641 2.443 700 H VAL 82 H VAL 82 -3.177 1.382 5.184 701 HA VAL 82 HA VAL 82 -1.461 -0.186 3.355 702 HB VAL 82 HB VAL 82 -2.085 -0.840 6.263 703 HG11 VAL 82 1HG1 VAL 82 -0.241 -2.490 6.055 704 HG12 VAL 82 2HG1 VAL 82 -0.069 -2.079 4.347 705 HG13 VAL 82 3HG1 VAL 82 -1.555 -2.836 4.927 706 HG21 VAL 82 1HG2 VAL 82 -0.733 1.214 6.153 707 HG22 VAL 82 2HG2 VAL 82 0.438 0.410 5.105 708 HG23 VAL 82 3HG2 VAL 82 0.237 -0.126 6.775 709 H ILE 83 H ILE 83 -2.477 -1.579 2.106 710 HA ILE 83 HA ILE 83 -5.024 -2.843 2.953 711 HB ILE 83 HB ILE 83 -3.960 -2.481 0.107 712 HG12 ILE 83 2HG1 ILE 83 -6.197 -1.001 1.562 713 HG13 ILE 83 3HG1 ILE 83 -4.665 -0.316 1.035 714 HG21 ILE 83 1HG2 ILE 83 -6.649 -3.560 1.048 715 HG22 ILE 83 2HG2 ILE 83 -5.337 -4.514 0.353 716 HG23 ILE 83 3HG2 ILE 83 -6.164 -3.313 -0.635 717 HD11 ILE 83 1HD1 ILE 83 -6.537 0.309 -0.407 718 HD12 ILE 83 2HD1 ILE 83 -6.803 -1.384 -0.809 719 HD13 ILE 83 3HD1 ILE 83 -5.297 -0.587 -1.272 720 H MET 84 H MET 84 -4.512 -4.787 3.801 721 HA MET 84 HA MET 84 -2.367 -6.464 2.631 722 HB2 MET 84 2HB MET 84 -3.719 -6.445 5.363 723 HB3 MET 84 3HB MET 84 -2.655 -7.745 4.846 724 HG2 MET 84 2HG MET 84 -0.753 -6.399 4.941 725 HG3 MET 84 3HG MET 84 -1.669 -4.901 4.783 726 HE1 MET 84 1HE MET 84 -3.046 -4.262 8.312 727 HE2 MET 84 2HE MET 84 -3.905 -4.939 6.931 728 HE3 MET 84 3HE MET 84 -2.765 -3.610 6.699 729 H VAL 85 H VAL 85 -3.069 -7.989 1.296 730 HA VAL 85 HA VAL 85 -5.731 -9.236 1.575 731 HB VAL 85 HB VAL 85 -4.554 -8.117 -1.023 732 HG11 VAL 85 1HG1 VAL 85 -6.633 -8.897 -2.117 733 HG12 VAL 85 2HG1 VAL 85 -7.148 -9.654 -0.609 734 HG13 VAL 85 3HG1 VAL 85 -5.711 -10.244 -1.449 735 HG21 VAL 85 1HG2 VAL 85 -7.063 -7.264 0.471 736 HG22 VAL 85 2HG2 VAL 85 -6.507 -6.615 -1.075 737 HG23 VAL 85 3HG2 VAL 85 -5.553 -6.355 0.386 738 H ASP 86 H ASP 86 -5.340 -11.359 1.789 739 HA ASP 86 HA ASP 86 -3.975 -12.937 -0.116 740 HB2 ASP 86 2HB ASP 86 -1.971 -11.932 1.153 741 HB3 ASP 86 3HB ASP 86 -2.514 -12.817 2.573 742 H GLN 87 H GLN 87 -4.090 -15.260 0.450 743 HA GLN 87 HA GLN 87 -6.582 -15.909 1.662 744 HB2 GLN 87 2HB GLN 87 -4.330 -17.715 0.696 745 HB3 GLN 87 3HB GLN 87 -5.923 -18.291 1.185 746 HG2 GLN 87 2HG GLN 87 -5.336 -16.433 -1.143 747 HG3 GLN 87 3HG GLN 87 -5.729 -18.150 -1.255 748 HE21 GLN 87 1HE2 GLN 87 -6.986 -14.947 -0.683 749 HE22 GLN 87 2HE2 GLN 87 -8.661 -15.370 -0.770 750 H ASP 88 H ASP 88 -3.318 -15.816 2.940 751 HA ASP 88 HA ASP 88 -4.012 -17.357 5.318 752 HB2 ASP 88 2HB ASP 88 -1.633 -17.280 4.330 753 HB3 ASP 88 3HB ASP 88 -1.513 -15.643 4.961 754 H GLN 89 H GLN 89 -5.609 -16.360 6.335 755 HA GLN 89 HA GLN 89 -5.997 -13.556 6.541 756 HB2 GLN 89 2HB GLN 89 -7.867 -15.126 6.523 757 HB3 GLN 89 3HB GLN 89 -7.284 -15.904 7.986 758 HG2 GLN 89 2HG GLN 89 -9.260 -14.440 8.362 759 HG3 GLN 89 3HG GLN 89 -7.860 -13.975 9.325 760 HE21 GLN 89 1HE2 GLN 89 -8.844 -11.922 9.600 761 HE22 GLN 89 2HE2 GLN 89 -8.791 -10.723 8.357 762 H GLU 90 H GLU 90 -4.348 -15.917 8.586 763 HA GLU 90 HA GLU 90 -4.495 -14.493 11.036 764 HB2 GLU 90 2HB GLU 90 -2.558 -16.668 10.170 765 HB3 GLU 90 3HB GLU 90 -2.677 -16.039 11.813 766 HG2 GLU 90 2HG GLU 90 -5.157 -16.744 11.719 767 HG3 GLU 90 3HG GLU 90 -4.721 -17.662 10.278 768 H GLU 91 H GLU 91 -1.977 -14.556 8.493 769 HA GLU 91 HA GLU 91 -0.126 -12.908 9.963 770 HB2 GLU 91 2HB GLU 91 1.178 -12.778 7.911 771 HB3 GLU 91 3HB GLU 91 0.667 -14.440 8.190 772 HG2 GLU 91 2HG GLU 91 -1.146 -14.136 6.524 773 HG3 GLU 91 3HG GLU 91 -0.565 -12.499 6.208 774 H LEU 92 H LEU 92 -2.691 -12.340 7.601 775 HA LEU 92 HA LEU 92 -2.364 -9.596 7.150 776 HB2 LEU 92 2HB LEU 92 -4.631 -11.541 6.961 777 HB3 LEU 92 3HB LEU 92 -5.094 -9.856 7.070 778 HG LEU 92 HG LEU 92 -3.898 -9.308 5.030 779 HD11 LEU 92 1HD1 LEU 92 -2.992 -12.195 4.897 780 HD12 LEU 92 2HD1 LEU 92 -1.973 -10.793 5.226 781 HD13 LEU 92 3HD1 LEU 92 -2.745 -10.964 3.653 782 HD21 LEU 92 1HD2 LEU 92 -6.191 -10.127 4.808 783 HD22 LEU 92 2HD2 LEU 92 -5.605 -11.786 4.641 784 HD23 LEU 92 3HD2 LEU 92 -5.218 -10.580 3.410 785 H GLU 93 H GLU 93 -4.216 -11.312 9.660 786 HA GLU 93 HA GLU 93 -5.212 -9.094 11.090 787 HB2 GLU 93 2HB GLU 93 -4.602 -11.922 12.041 788 HB3 GLU 93 3HB GLU 93 -5.545 -10.746 12.958 789 HG2 GLU 93 2HG GLU 93 -7.263 -10.725 11.229 790 HG3 GLU 93 3HG GLU 93 -6.311 -11.809 10.222 791 H ARG 94 H ARG 94 -2.206 -10.919 11.346 792 HA ARG 94 HA ARG 94 -1.279 -9.992 13.842 793 HB2 ARG 94 2HB ARG 94 -0.421 -12.027 12.750 794 HB3 ARG 94 3HB ARG 94 0.236 -11.071 11.430 795 HG2 ARG 94 2HG ARG 94 2.026 -11.744 12.910 796 HG3 ARG 94 3HG ARG 94 1.817 -9.995 12.999 797 HD2 ARG 94 2HD ARG 94 0.597 -10.232 15.119 798 HD3 ARG 94 3HD ARG 94 0.740 -11.992 15.018 799 HE ARG 94 HE ARG 94 3.325 -11.061 14.886 800 HH11 ARG 94 1HH1 ARG 94 0.713 -10.749 17.230 801 HH12 ARG 94 2HH1 ARG 94 1.787 -10.609 18.584 802 HH21 ARG 94 1HH2 ARG 94 4.716 -10.898 16.670 803 HH22 ARG 94 2HH2 ARG 94 4.062 -10.695 18.265 804 H ILE 95 H ILE 95 -0.366 -8.997 10.528 805 HA ILE 95 HA ILE 95 1.336 -6.843 11.259 806 HB ILE 95 HB ILE 95 -0.134 -7.310 8.615 807 HG12 ILE 95 2HG1 ILE 95 2.694 -8.172 9.412 808 HG13 ILE 95 3HG1 ILE 95 1.308 -9.247 9.313 809 HG21 ILE 95 1HG2 ILE 95 0.704 -5.008 8.791 810 HG22 ILE 95 2HG2 ILE 95 1.627 -5.909 7.589 811 HG23 ILE 95 3HG2 ILE 95 2.318 -5.606 9.185 812 HD11 ILE 95 1HD1 ILE 95 1.163 -8.840 6.902 813 HD12 ILE 95 2HD1 ILE 95 2.737 -9.479 7.374 814 HD13 ILE 95 3HD1 ILE 95 2.561 -7.765 6.998 815 H TYR 96 H TYR 96 -2.057 -7.003 10.242 816 HA TYR 96 HA TYR 96 -2.884 -4.367 10.280 817 HB2 TYR 96 2HB TYR 96 -4.412 -5.968 9.458 818 HB3 TYR 96 3HB TYR 96 -4.225 -7.018 10.843 819 HD1 TYR 96 HD1 TYR 96 -5.960 -3.998 9.565 820 HD2 TYR 96 HD2 TYR 96 -5.648 -6.776 12.796 821 HE1 TYR 96 HE1 TYR 96 -8.106 -3.191 10.473 822 HE2 TYR 96 HE2 TYR 96 -7.776 -5.967 13.707 823 HH TYR 96 HH TYR 96 -9.911 -3.964 11.968 824 H GLU 97 H GLU 97 -2.599 -6.614 13.022 825 HA GLU 97 HA GLU 97 -3.768 -4.956 14.999 826 HB2 GLU 97 2HB GLU 97 -3.393 -7.486 15.090 827 HB3 GLU 97 3HB GLU 97 -1.708 -7.160 15.466 828 HG2 GLU 97 2HG GLU 97 -4.015 -6.166 17.177 829 HG3 GLU 97 3HG GLU 97 -3.256 -7.732 17.423 830 H GLN 98 H GLN 98 -0.408 -5.500 13.966 831 HA GLN 98 HA GLN 98 0.899 -3.921 15.917 832 HB2 GLN 98 2HB GLN 98 2.123 -5.613 14.633 833 HB3 GLN 98 3HB GLN 98 1.792 -4.767 13.128 834 HG2 GLN 98 2HG GLN 98 4.116 -4.417 13.836 835 HG3 GLN 98 3HG GLN 98 3.224 -2.896 13.834 836 HE21 GLN 98 1HE2 GLN 98 4.517 -1.837 15.310 837 HE22 GLN 98 2HE2 GLN 98 4.638 -2.282 16.977 838 H LEU 99 H LEU 99 -0.376 -3.116 12.708 839 HA LEU 99 HA LEU 99 0.829 -0.486 12.642 840 HB2 LEU 99 2HB LEU 99 -1.286 -1.706 10.841 841 HB3 LEU 99 3HB LEU 99 -0.390 -0.227 10.515 842 HG LEU 99 HG LEU 99 0.783 -3.035 10.647 843 HD11 LEU 99 1HD1 LEU 99 0.372 -1.230 8.255 844 HD12 LEU 99 2HD1 LEU 99 -0.569 -2.672 8.649 845 HD13 LEU 99 3HD1 LEU 99 1.140 -2.823 8.254 846 HD21 LEU 99 1HD2 LEU 99 2.885 -2.039 9.887 847 HD22 LEU 99 2HD2 LEU 99 2.405 -1.400 11.454 848 HD23 LEU 99 3HD2 LEU 99 2.179 -0.424 9.999 849 H LYS 100 H LYS 100 -2.430 -1.809 13.221 850 HA LYS 100 HA LYS 100 -3.698 0.756 13.558 851 HB2 LYS 100 2HB LYS 100 -4.865 -1.383 12.809 852 HB3 LYS 100 3HB LYS 100 -4.759 -1.947 14.472 853 HG2 LYS 100 2HG LYS 100 -6.146 -0.050 15.220 854 HG3 LYS 100 3HG LYS 100 -6.215 0.564 13.564 855 HD2 LYS 100 2HD LYS 100 -7.436 -1.448 12.846 856 HD3 LYS 100 3HD LYS 100 -7.310 -2.126 14.473 857 HE2 LYS 100 2HE LYS 100 -8.828 0.395 13.704 858 HE3 LYS 100 3HE LYS 100 -9.542 -1.171 14.099 859 HZ1 LYS 100 1HZ LYS 100 -8.002 0.583 15.942 860 HZ2 LYS 100 2HZ LYS 100 -8.550 -0.968 16.332 861 HZ3 LYS 100 3HZ LYS 100 -9.663 0.261 15.999 862 H LYS 101 H LYS 101 -1.939 -1.422 15.617 863 HA LYS 101 HA LYS 101 -2.458 -0.439 18.177 864 HB2 LYS 101 2HB LYS 101 -0.928 -2.347 17.625 865 HB3 LYS 101 3HB LYS 101 0.249 -1.201 17.001 866 HG2 LYS 101 2HG LYS 101 0.338 -0.194 19.348 867 HG3 LYS 101 3HG LYS 101 -0.631 -1.572 19.882 868 HD2 LYS 101 2HD LYS 101 2.160 -1.649 18.665 869 HD3 LYS 101 3HD LYS 101 1.713 -2.027 20.329 870 HE2 LYS 101 2HE LYS 101 0.914 -3.625 17.866 871 HE3 LYS 101 3HE LYS 101 2.144 -4.074 19.045 872 HZ1 LYS 101 1HZ LYS 101 0.100 -5.237 19.476 873 HZ2 LYS 101 2HZ LYS 101 -0.761 -3.789 19.573 874 HZ3 LYS 101 3HZ LYS 101 0.405 -4.155 20.741 875 H ASP 102 H ASP 102 -0.199 0.792 15.682 876 HA ASP 102 HA ASP 102 0.472 3.212 17.080 877 HB2 ASP 102 2HB ASP 102 2.020 2.290 15.420 878 HB3 ASP 102 3HB ASP 102 0.796 2.377 14.161 879 H GLY 103 H GLY 103 -2.042 2.200 14.862 880 HA2 GLY 103 2HA GLY 103 -4.162 3.230 14.683 881 HA3 GLY 103 3HA GLY 103 -3.465 4.774 15.143 882 H VAL 104 H VAL 104 -1.921 2.762 12.739 883 HA VAL 104 HA VAL 104 -2.200 4.640 10.593 884 HB VAL 104 HB VAL 104 -1.362 1.696 10.466 885 HG11 VAL 104 1HG1 VAL 104 -0.167 2.300 8.377 886 HG12 VAL 104 2HG1 VAL 104 -0.823 3.938 8.480 887 HG13 VAL 104 3HG1 VAL 104 -1.907 2.567 8.232 888 HG21 VAL 104 1HG2 VAL 104 0.070 2.936 12.047 889 HG22 VAL 104 2HG2 VAL 104 0.408 4.148 10.810 890 HG23 VAL 104 3HG2 VAL 104 0.979 2.490 10.599 891 H ASP 105 H ASP 105 -3.520 4.456 8.688 892 HA ASP 105 HA ASP 105 -6.092 3.219 8.931 893 HB2 ASP 105 2HB ASP 105 -5.746 5.267 7.536 894 HB3 ASP 105 3HB ASP 105 -4.713 4.350 6.455 895 H VAL 106 H VAL 106 -6.323 1.078 8.808 896 HA VAL 106 HA VAL 106 -4.810 -0.511 6.812 897 HB VAL 106 HB VAL 106 -4.660 -2.379 8.566 898 HG11 VAL 106 1HG1 VAL 106 -2.689 -1.036 7.933 899 HG12 VAL 106 2HG1 VAL 106 -2.642 -1.484 9.635 900 HG13 VAL 106 3HG1 VAL 106 -3.095 0.159 9.169 901 HG21 VAL 106 1HG2 VAL 106 -6.346 -1.494 10.151 902 HG22 VAL 106 2HG2 VAL 106 -5.304 -0.112 10.500 903 HG23 VAL 106 3HG2 VAL 106 -4.790 -1.742 10.949 904 H ARG 107 H ARG 107 -5.782 -2.379 6.074 905 HA ARG 107 HA ARG 107 -8.401 -3.240 6.975 906 HB2 ARG 107 2HB ARG 107 -9.478 -2.951 4.745 907 HB3 ARG 107 3HB ARG 107 -9.041 -1.414 5.482 908 HG2 ARG 107 2HG ARG 107 -6.881 -1.589 3.995 909 HG3 ARG 107 3HG ARG 107 -7.809 -2.774 3.073 910 HD2 ARG 107 2HD ARG 107 -8.044 -0.582 2.040 911 HD3 ARG 107 3HD ARG 107 -9.597 -1.053 2.743 912 HE ARG 107 HE ARG 107 -7.696 0.811 4.068 913 HH11 ARG 107 1HH1 ARG 107 -11.010 -0.009 3.173 914 HH12 ARG 107 2HH1 ARG 107 -11.681 1.367 3.983 915 HH21 ARG 107 1HH2 ARG 107 -8.585 2.590 5.099 916 HH22 ARG 107 2HH2 ARG 107 -10.303 2.841 5.076 917 H VAL 108 H VAL 108 -8.763 -5.370 6.480 918 HA VAL 108 HA VAL 108 -6.819 -6.794 4.771 919 HB VAL 108 HB VAL 108 -6.795 -8.692 6.368 920 HG11 VAL 108 1HG1 VAL 108 -5.940 -6.078 7.658 921 HG12 VAL 108 2HG1 VAL 108 -5.002 -7.032 6.506 922 HG13 VAL 108 3HG1 VAL 108 -5.362 -7.688 8.103 923 HG21 VAL 108 1HG2 VAL 108 -8.366 -6.902 8.271 924 HG22 VAL 108 2HG2 VAL 108 -7.679 -8.481 8.669 925 HG23 VAL 108 3HG2 VAL 108 -8.976 -8.357 7.480 926 H THR 109 H THR 109 -7.664 -8.381 3.462 927 HA THR 109 HA THR 109 -10.155 -9.694 4.016 928 HB THR 109 HB THR 109 -11.045 -7.602 2.985 929 HG1 THR 109 HG1 THR 109 -12.242 -9.474 2.685 930 HG21 THR 109 1HG2 THR 109 -9.192 -7.042 1.441 931 HG22 THR 109 2HG2 THR 109 -10.734 -7.130 0.586 932 HG23 THR 109 3HG2 THR 109 -9.579 -8.458 0.461 933 H ASP 110 H ASP 110 -10.182 -11.712 3.074 934 HA ASP 110 HA ASP 110 -7.904 -12.414 1.324 935 HB2 ASP 110 2HB ASP 110 -8.214 -14.734 2.024 936 HB3 ASP 110 3HB ASP 110 -8.055 -13.698 3.429 937 H ASN 111 H ASN 111 -8.827 -11.571 -0.561 938 HA ASN 111 HA ASN 111 -9.836 -13.593 -2.244 939 HB2 ASN 111 2HB ASN 111 -11.988 -12.553 -2.975 940 HB3 ASN 111 3HB ASN 111 -12.059 -13.066 -1.299 941 HD21 ASN 111 1HD2 ASN 111 -12.245 -11.523 0.322 942 HD22 ASN 111 2HD2 ASN 111 -12.574 -9.859 -0.003 943 H GLU 112 H GLU 112 -10.714 -12.173 -4.409 944 HA GLU 112 HA GLU 112 -8.564 -10.233 -4.995 945 HB2 GLU 112 2HB GLU 112 -8.674 -12.259 -6.403 946 HB3 GLU 112 3HB GLU 112 -10.332 -11.871 -6.844 947 HG2 GLU 112 2HG GLU 112 -9.534 -9.808 -7.965 948 HG3 GLU 112 3HG GLU 112 -7.875 -10.236 -7.544 949 H ASP 113 H ASP 113 -12.088 -10.770 -5.364 950 HA ASP 113 HA ASP 113 -12.638 -8.490 -6.938 951 HB2 ASP 113 2HB ASP 113 -14.140 -10.386 -6.964 952 HB3 ASP 113 3HB ASP 113 -14.442 -10.252 -5.235 953 H GLU 114 H GLU 114 -13.584 -9.029 -3.522 954 HA GLU 114 HA GLU 114 -14.607 -6.504 -2.938 955 HB2 GLU 114 2HB GLU 114 -14.436 -8.877 -1.598 956 HB3 GLU 114 3HB GLU 114 -13.211 -7.986 -0.714 957 HG2 GLU 114 2HG GLU 114 -16.126 -7.249 -1.028 958 HG3 GLU 114 3HG GLU 114 -15.372 -7.942 0.400 959 H ALA 115 H ALA 115 -11.339 -7.754 -2.701 960 HA ALA 115 HA ALA 115 -9.987 -5.693 -1.393 961 HB1 ALA 115 1HB ALA 115 -9.054 -7.932 -1.789 962 HB2 ALA 115 2HB ALA 115 -7.962 -6.684 -2.394 963 HB3 ALA 115 3HB ALA 115 -8.967 -7.601 -3.521 964 H LYS 116 H LYS 116 -10.594 -6.178 -4.876 965 HA LYS 116 HA LYS 116 -9.103 -3.968 -5.838 966 HB2 LYS 116 2HB LYS 116 -11.406 -5.508 -7.110 967 HB3 LYS 116 3HB LYS 116 -10.431 -4.312 -7.966 968 HG2 LYS 116 2HG LYS 116 -8.420 -5.661 -7.656 969 HG3 LYS 116 3HG LYS 116 -9.316 -6.820 -6.678 970 HD2 LYS 116 2HD LYS 116 -9.051 -7.786 -8.853 971 HD3 LYS 116 3HD LYS 116 -10.744 -7.327 -8.690 972 HE2 LYS 116 2HE LYS 116 -10.450 -5.432 -10.141 973 HE3 LYS 116 3HE LYS 116 -8.695 -5.587 -10.097 974 HZ1 LYS 116 1HZ LYS 116 -9.534 -6.449 -12.153 975 HZ2 LYS 116 2HZ LYS 116 -10.589 -7.491 -11.351 976 HZ3 LYS 116 3HZ LYS 116 -8.924 -7.733 -11.238 977 H LYS 117 H LYS 117 -12.404 -4.258 -4.697 978 HA LYS 117 HA LYS 117 -13.236 -1.625 -5.504 979 HB2 LYS 117 2HB LYS 117 -14.467 -3.940 -4.123 980 HB3 LYS 117 3HB LYS 117 -14.998 -2.408 -3.458 981 HG2 LYS 117 2HG LYS 117 -16.543 -3.193 -5.177 982 HG3 LYS 117 3HG LYS 117 -15.781 -1.678 -5.655 983 HD2 LYS 117 2HD LYS 117 -15.894 -3.125 -7.581 984 HD3 LYS 117 3HD LYS 117 -14.201 -2.970 -7.108 985 HE2 LYS 117 2HE LYS 117 -14.752 -5.282 -7.724 986 HE3 LYS 117 3HE LYS 117 -14.311 -5.180 -6.020 987 HZ1 LYS 117 1HZ LYS 117 -16.256 -6.584 -6.407 988 HZ2 LYS 117 2HZ LYS 117 -17.090 -5.264 -7.058 989 HZ3 LYS 117 3HZ LYS 117 -16.636 -5.257 -5.427 990 H ARG 118 H ARG 118 -11.766 -3.035 -2.612 991 HA ARG 118 HA ARG 118 -11.983 -0.612 -1.036 992 HB2 ARG 118 2HB ARG 118 -10.389 -3.153 -0.537 993 HB3 ARG 118 3HB ARG 118 -10.555 -1.828 0.619 994 HG2 ARG 118 2HG ARG 118 -12.783 -3.598 -0.439 995 HG3 ARG 118 3HG ARG 118 -12.091 -3.630 1.183 996 HD2 ARG 118 2HD ARG 118 -12.993 -1.411 1.658 997 HD3 ARG 118 3HD ARG 118 -13.562 -1.248 -0.009 998 HE ARG 118 HE ARG 118 -14.639 -3.563 1.306 999 HH11 ARG 118 1HH1 ARG 118 -15.114 -0.079 0.906 1000 HH12 ARG 118 2HH1 ARG 118 -16.804 -0.162 1.281 1001 HH21 ARG 118 1HH2 ARG 118 -16.847 -3.632 1.765 1002 HH22 ARG 118 2HH2 ARG 118 -17.789 -2.175 1.768 1003 H LEU 119 H LEU 119 -9.774 -1.815 -3.373 1004 HA LEU 119 HA LEU 119 -7.543 -0.161 -2.769 1005 HB2 LEU 119 2HB LEU 119 -7.855 -2.195 -4.484 1006 HB3 LEU 119 3HB LEU 119 -8.285 -0.926 -5.608 1007 HG LEU 119 HG LEU 119 -5.948 -1.586 -5.897 1008 HD11 LEU 119 1HD1 LEU 119 -4.809 0.560 -5.760 1009 HD12 LEU 119 2HD1 LEU 119 -6.084 1.188 -4.712 1010 HD13 LEU 119 3HD1 LEU 119 -6.449 0.740 -6.380 1011 HD21 LEU 119 1HD2 LEU 119 -4.248 -1.352 -4.209 1012 HD22 LEU 119 2HD2 LEU 119 -5.537 -2.383 -3.588 1013 HD23 LEU 119 3HD2 LEU 119 -5.417 -0.704 -3.059 1014 H LYS 120 H LYS 120 -10.437 0.236 -4.836 1015 HA LYS 120 HA LYS 120 -9.942 2.902 -5.676 1016 HB2 LYS 120 2HB LYS 120 -11.501 1.478 -6.908 1017 HB3 LYS 120 3HB LYS 120 -12.557 1.356 -5.502 1018 HG2 LYS 120 2HG LYS 120 -13.071 3.760 -5.642 1019 HG3 LYS 120 3HG LYS 120 -11.952 3.940 -6.995 1020 HD2 LYS 120 2HD LYS 120 -14.456 2.212 -7.036 1021 HD3 LYS 120 3HD LYS 120 -14.366 3.858 -7.667 1022 HE2 LYS 120 2HE LYS 120 -12.607 3.104 -9.271 1023 HE3 LYS 120 3HE LYS 120 -12.803 1.456 -8.672 1024 HZ1 LYS 120 1HZ LYS 120 -14.870 3.096 -10.029 1025 HZ2 LYS 120 2HZ LYS 120 -15.129 1.557 -9.380 1026 HZ3 LYS 120 3HZ LYS 120 -14.055 1.759 -10.668 1027 H GLU 121 H GLU 121 -11.627 1.524 -2.899 1028 HA GLU 121 HA GLU 121 -13.048 3.580 -1.785 1029 HB2 GLU 121 2HB GLU 121 -12.965 1.309 -0.834 1030 HB3 GLU 121 3HB GLU 121 -11.273 1.508 -0.417 1031 HG2 GLU 121 2HG GLU 121 -12.458 1.682 1.619 1032 HG3 GLU 121 3HG GLU 121 -11.982 3.328 1.202 1033 H LEU 122 H LEU 122 -9.546 3.047 -1.547 1034 HA LEU 122 HA LEU 122 -9.090 5.383 0.118 1035 HB2 LEU 122 2HB LEU 122 -7.135 3.444 -1.165 1036 HB3 LEU 122 3HB LEU 122 -6.694 4.725 -0.035 1037 HG LEU 122 HG LEU 122 -8.390 2.270 0.562 1038 HD11 LEU 122 1HD1 LEU 122 -6.603 1.706 2.130 1039 HD12 LEU 122 2HD1 LEU 122 -5.688 3.115 1.591 1040 HD13 LEU 122 3HD1 LEU 122 -6.021 1.803 0.470 1041 HD21 LEU 122 1HD2 LEU 122 -9.341 4.144 1.783 1042 HD22 LEU 122 2HD2 LEU 122 -7.748 4.619 2.379 1043 HD23 LEU 122 3HD2 LEU 122 -8.471 3.097 2.899 1044 H LEU 123 H LEU 123 -8.538 4.386 -3.248 1045 HA LEU 123 HA LEU 123 -6.944 6.422 -4.208 1046 HB2 LEU 123 2HB LEU 123 -8.734 4.413 -5.387 1047 HB3 LEU 123 3HB LEU 123 -8.751 5.876 -6.342 1048 HG LEU 123 HG LEU 123 -7.104 4.186 -7.160 1049 HD11 LEU 123 1HD1 LEU 123 -5.218 5.718 -7.484 1050 HD12 LEU 123 2HD1 LEU 123 -5.824 6.770 -6.200 1051 HD13 LEU 123 3HD1 LEU 123 -6.755 6.559 -7.686 1052 HD21 LEU 123 1HD2 LEU 123 -5.614 4.732 -4.566 1053 HD22 LEU 123 2HD2 LEU 123 -5.047 3.736 -5.912 1054 HD23 LEU 123 3HD2 LEU 123 -6.453 3.232 -4.976 1055 H GLU 124 H GLU 124 -10.498 6.411 -3.959 1056 HA GLU 124 HA GLU 124 -11.058 8.880 -5.170 1057 HB2 GLU 124 2HB GLU 124 -12.578 7.460 -2.945 1058 HB3 GLU 124 3HB GLU 124 -13.227 8.753 -3.958 1059 HG2 GLU 124 2HG GLU 124 -12.997 7.308 -5.948 1060 HG3 GLU 124 3HG GLU 124 -12.331 6.019 -4.936 1061 H LYS 125 H LYS 125 -10.470 8.083 -1.744 1062 HA LYS 125 HA LYS 125 -10.987 10.672 -0.690 1063 HB2 LYS 125 2HB LYS 125 -9.306 8.420 0.516 1064 HB3 LYS 125 3HB LYS 125 -9.978 9.793 1.400 1065 HG2 LYS 125 2HG LYS 125 -12.253 9.001 0.927 1066 HG3 LYS 125 3HG LYS 125 -11.601 7.650 -0.010 1067 HD2 LYS 125 2HD LYS 125 -10.474 6.805 2.066 1068 HD3 LYS 125 3HD LYS 125 -11.223 8.121 2.981 1069 HE2 LYS 125 2HE LYS 125 -13.454 7.248 2.402 1070 HE3 LYS 125 3HE LYS 125 -12.709 5.944 1.474 1071 HZ1 LYS 125 1HZ LYS 125 -12.516 6.372 4.404 1072 HZ2 LYS 125 2HZ LYS 125 -11.670 5.183 3.554 1073 HZ3 LYS 125 3HZ LYS 125 -13.359 5.140 3.605 1074 H VAL 126 H VAL 126 -8.066 9.119 -1.896 1075 HA VAL 126 HA VAL 126 -6.179 11.065 -0.960 1076 HB VAL 126 HB VAL 126 -5.956 8.933 -3.135 1077 HG11 VAL 126 1HG1 VAL 126 -4.285 10.675 -3.573 1078 HG12 VAL 126 2HG1 VAL 126 -3.490 9.217 -2.975 1079 HG13 VAL 126 3HG1 VAL 126 -3.731 10.595 -1.899 1080 HG21 VAL 126 1HG2 VAL 126 -6.322 7.996 -0.879 1081 HG22 VAL 126 2HG2 VAL 126 -4.952 8.919 -0.259 1082 HG23 VAL 126 3HG2 VAL 126 -4.688 7.636 -1.443 1083 H LEU 127 H LEU 127 -7.779 10.445 -4.091 1084 HA LEU 127 HA LEU 127 -6.499 12.478 -5.600 1085 HB2 LEU 127 2HB LEU 127 -9.127 11.015 -6.039 1086 HB3 LEU 127 3HB LEU 127 -8.389 12.071 -7.238 1087 HG LEU 127 HG LEU 127 -6.940 9.632 -6.141 1088 HD11 LEU 127 1HD1 LEU 127 -7.656 8.385 -8.113 1089 HD12 LEU 127 2HD1 LEU 127 -8.695 9.728 -8.601 1090 HD13 LEU 127 3HD1 LEU 127 -9.029 8.846 -7.108 1091 HD21 LEU 127 1HD2 LEU 127 -5.617 9.831 -8.206 1092 HD22 LEU 127 2HD2 LEU 127 -5.512 11.291 -7.227 1093 HD23 LEU 127 3HD2 LEU 127 -6.538 11.267 -8.666 1094 H GLU 128 H GLU 128 -9.745 12.349 -4.118 1095 HA GLU 128 HA GLU 128 -10.584 14.987 -4.565 1096 HB2 GLU 128 2HB GLU 128 -11.200 13.066 -2.288 1097 HB3 GLU 128 3HB GLU 128 -12.013 14.618 -2.467 1098 HG2 GLU 128 2HG GLU 128 -12.909 13.884 -4.639 1099 HG3 GLU 128 3HG GLU 128 -12.110 12.325 -4.451 1100 H HIS 129 H HIS 129 -8.257 13.682 -2.364 1101 HA HIS 129 HA HIS 129 -6.991 14.423 -0.652 1102 HB2 HIS 129 2HB HIS 129 -6.465 16.270 -2.285 1103 HB3 HIS 129 3HB HIS 129 -7.772 17.218 -1.597 1104 HD1 HIS 129 HD1 HIS 129 -6.815 19.003 -0.178 1105 HD2 HIS 129 HD2 HIS 129 -4.641 15.477 0.116 1106 HE1 HIS 129 HE1 HIS 129 -4.970 19.483 1.454 1107 HE2 HIS 129 HE2 HIS 129 -3.777 17.282 1.724 1108 H HIS 130 H HIS 130 -9.637 13.657 -0.298 1109 HA HIS 130 HA HIS 130 -11.383 15.443 0.969 1110 HB2 HIS 130 2HB HIS 130 -11.923 13.222 -0.217 1111 HB3 HIS 130 3HB HIS 130 -11.420 12.406 1.254 1112 HD1 HIS 130 HD1 HIS 130 -14.363 13.569 -0.380 1113 HD2 HIS 130 HD2 HIS 130 -13.118 13.440 3.591 1114 HE1 HIS 130 HE1 HIS 130 -16.447 13.792 1.004 1115 HE2 HIS 130 HE2 HIS 130 -15.679 13.593 3.387 1116 H HIS 131 H HIS 131 -9.077 13.081 2.289 1117 HA HIS 131 HA HIS 131 -9.587 14.110 5.031 1118 HB2 HIS 131 2HB HIS 131 -10.318 11.683 4.508 1119 HB3 HIS 131 3HB HIS 131 -8.614 11.296 4.377 1120 HD1 HIS 131 HD1 HIS 131 -11.333 11.777 6.811 1121 HD2 HIS 131 HD2 HIS 131 -7.197 11.471 6.924 1122 HE1 HIS 131 HE1 HIS 131 -10.757 11.308 9.202 1123 HE2 HIS 131 HE2 HIS 131 -8.282 10.887 9.186 1124 H HIS 132 H HIS 132 -7.848 14.857 6.109 1125 HA HIS 132 HA HIS 132 -5.112 14.154 5.214 1126 HB2 HIS 132 2HB HIS 132 -5.603 16.513 4.606 1127 HB3 HIS 132 3HB HIS 132 -6.066 16.864 6.263 1128 HD1 HIS 132 HD1 HIS 132 -3.168 16.805 4.016 1129 HD2 HIS 132 HD2 HIS 132 -3.781 16.803 8.124 1130 HE1 HIS 132 HE1 HIS 132 -0.960 17.416 5.034 1131 HE2 HIS 132 HE2 HIS 132 -1.381 17.494 7.508 1132 H HIS 133 H HIS 133 -3.999 13.168 6.753 1133 HA HIS 133 HA HIS 133 -4.250 13.788 9.574 1134 HB2 HIS 133 2HB HIS 133 -6.164 12.236 9.269 1135 HB3 HIS 133 3HB HIS 133 -5.113 11.049 8.510 1136 HD1 HIS 133 HD1 HIS 133 -5.989 12.516 11.872 1137 HD2 HIS 133 HD2 HIS 133 -3.669 9.440 10.300 1138 HE1 HIS 133 HE1 HIS 133 -5.331 11.085 13.825 1139 HE2 HIS 133 HE2 HIS 133 -4.057 9.170 12.833 1140 H HIS 134 H HIS 134 -2.456 13.115 10.713 1141 HA HIS 134 HA HIS 134 -0.383 11.543 9.287 1142 HB2 HIS 134 2HB HIS 134 1.338 12.910 10.541 1143 HB3 HIS 134 3HB HIS 134 0.449 13.800 9.316 1144 HD1 HIS 134 HD1 HIS 134 1.005 13.614 13.007 1145 HD2 HIS 134 HD2 HIS 134 -1.201 15.874 10.304 1146 HE1 HIS 134 HE1 HIS 134 0.133 15.573 14.311 1147 HE2 HIS 134 HE2 HIS 134 -1.101 16.979 12.627 Start of MODEL 5 1 H1 MET 1 1H MET 1 -3.491 14.440 -2.283 2 H2 MET 1 2H MET 1 -2.639 15.143 -1.002 3 H3 MET 1 3H MET 1 -2.913 13.476 -1.018 4 HA MET 1 HA MET 1 -1.553 13.239 -2.989 5 HB2 MET 1 2HB MET 1 -1.202 16.238 -2.593 6 HB3 MET 1 3HB MET 1 -0.100 15.283 -3.573 7 HG2 MET 1 2HG MET 1 -3.067 15.575 -4.089 8 HG3 MET 1 3HG MET 1 -1.785 16.451 -4.932 9 HE1 MET 1 1HE MET 1 -3.850 14.953 -6.697 10 HE2 MET 1 2HE MET 1 -2.830 14.019 -7.791 11 HE3 MET 1 3HE MET 1 -2.391 15.677 -7.376 12 H GLY 2 H GLY 2 0.902 13.156 -2.856 13 HA2 GLY 2 2HA GLY 2 2.788 12.514 -1.709 14 HA3 GLY 2 3HA GLY 2 2.354 13.719 -0.505 15 H THR 3 H THR 3 1.662 10.409 -1.573 16 HA THR 3 HA THR 3 1.162 9.539 1.188 17 HB THR 3 HB THR 3 -0.881 9.311 -1.072 18 HG1 THR 3 HG1 THR 3 -0.585 10.987 1.101 19 HG21 THR 3 1HG2 THR 3 -0.839 7.210 0.238 20 HG22 THR 3 2HG2 THR 3 -2.321 8.119 0.526 21 HG23 THR 3 3HG2 THR 3 -1.036 8.139 1.727 22 H VAL 4 H VAL 4 1.682 7.426 1.522 23 HA VAL 4 HA VAL 4 2.729 5.844 -0.744 24 HB VAL 4 HB VAL 4 3.407 5.570 2.224 25 HG11 VAL 4 1HG1 VAL 4 3.690 3.468 0.977 26 HG12 VAL 4 2HG1 VAL 4 5.254 4.121 1.461 27 HG13 VAL 4 3HG1 VAL 4 4.709 4.288 -0.210 28 HG21 VAL 4 1HG2 VAL 4 5.579 6.624 1.678 29 HG22 VAL 4 2HG2 VAL 4 4.235 7.722 1.364 30 HG23 VAL 4 3HG2 VAL 4 5.035 6.901 0.022 31 H VAL 5 H VAL 5 1.426 4.261 -1.350 32 HA VAL 5 HA VAL 5 -0.438 2.931 0.517 33 HB VAL 5 HB VAL 5 -0.426 2.981 -2.548 34 HG11 VAL 5 1HG1 VAL 5 -2.476 1.740 -0.675 35 HG12 VAL 5 2HG1 VAL 5 -1.355 0.866 -1.722 36 HG13 VAL 5 3HG1 VAL 5 -2.624 1.864 -2.430 37 HG21 VAL 5 1HG2 VAL 5 -1.064 5.167 -1.595 38 HG22 VAL 5 2HG2 VAL 5 -2.315 4.395 -0.617 39 HG23 VAL 5 3HG2 VAL 5 -2.445 4.395 -2.377 40 H ILE 6 H ILE 6 0.158 0.937 1.203 41 HA ILE 6 HA ILE 6 2.189 -0.615 -0.304 42 HB ILE 6 HB ILE 6 1.483 -0.777 2.672 43 HG12 ILE 6 2HG1 ILE 6 2.647 1.323 2.220 44 HG13 ILE 6 3HG1 ILE 6 3.761 0.231 3.035 45 HG21 ILE 6 1HG2 ILE 6 3.477 -2.230 2.881 46 HG22 ILE 6 2HG2 ILE 6 3.699 -2.192 1.131 47 HG23 ILE 6 3HG2 ILE 6 2.261 -2.949 1.823 48 HD11 ILE 6 1HD1 ILE 6 3.711 0.854 0.078 49 HD12 ILE 6 2HD1 ILE 6 4.817 -0.276 0.864 50 HD13 ILE 6 3HD1 ILE 6 4.878 1.439 1.262 51 H VAL 7 H VAL 7 1.225 -2.109 -1.484 52 HA VAL 7 HA VAL 7 -1.106 -3.636 -0.483 53 HB VAL 7 HB VAL 7 -0.074 -3.273 -3.348 54 HG11 VAL 7 1HG1 VAL 7 -2.540 -4.779 -2.386 55 HG12 VAL 7 2HG1 VAL 7 -1.085 -5.493 -3.087 56 HG13 VAL 7 3HG1 VAL 7 -2.123 -4.462 -4.071 57 HG21 VAL 7 1HG2 VAL 7 -1.128 -1.228 -2.483 58 HG22 VAL 7 2HG2 VAL 7 -2.574 -2.135 -2.033 59 HG23 VAL 7 3HG2 VAL 7 -2.134 -1.961 -3.734 60 H VAL 8 H VAL 8 -0.454 -5.547 0.415 61 HA VAL 8 HA VAL 8 1.806 -7.016 -0.841 62 HB VAL 8 HB VAL 8 0.945 -7.207 2.093 63 HG11 VAL 8 1HG1 VAL 8 3.295 -8.502 0.641 64 HG12 VAL 8 2HG1 VAL 8 1.864 -9.331 1.256 65 HG13 VAL 8 3HG1 VAL 8 2.997 -8.582 2.380 66 HG21 VAL 8 1HG2 VAL 8 3.083 -6.071 2.623 67 HG22 VAL 8 2HG2 VAL 8 2.030 -5.042 1.655 68 HG23 VAL 8 3HG2 VAL 8 3.401 -5.856 0.901 69 H SER 9 H SER 9 1.135 -8.724 -1.905 70 HA SER 9 HA SER 9 -0.822 -10.567 -0.739 71 HB2 SER 9 2HB SER 9 -2.166 -9.277 -2.352 72 HB3 SER 9 3HB SER 9 -0.958 -9.533 -3.613 73 HG SER 9 HG SER 9 -2.853 -11.287 -2.554 74 H ARG 10 H ARG 10 -0.065 -12.622 -0.880 75 HA ARG 10 HA ARG 10 2.442 -13.250 -2.073 76 HB2 ARG 10 2HB ARG 10 1.574 -14.511 -0.132 77 HB3 ARG 10 3HB ARG 10 0.230 -15.113 -1.094 78 HG2 ARG 10 2HG ARG 10 2.018 -16.818 -0.785 79 HG3 ARG 10 3HG ARG 10 1.750 -16.430 -2.487 80 HD2 ARG 10 2HD ARG 10 3.725 -14.873 -2.392 81 HD3 ARG 10 3HD ARG 10 4.018 -15.409 -0.741 82 HE ARG 10 HE ARG 10 4.808 -17.434 -1.524 83 HH11 ARG 10 1HH1 ARG 10 3.538 -15.569 -4.226 84 HH12 ARG 10 2HH1 ARG 10 4.279 -16.583 -5.419 85 HH21 ARG 10 1HH2 ARG 10 5.797 -18.723 -3.104 86 HH22 ARG 10 2HH2 ARG 10 5.560 -18.369 -4.786 87 H ASP 11 H ASP 11 -0.837 -13.298 -3.234 88 HA ASP 11 HA ASP 11 -0.224 -14.896 -5.604 89 HB2 ASP 11 2HB ASP 11 -2.365 -15.310 -4.496 90 HB3 ASP 11 3HB ASP 11 -2.813 -13.614 -4.647 91 H GLU 12 H GLU 12 0.246 -14.075 -7.515 92 HA GLU 12 HA GLU 12 0.813 -11.290 -7.894 93 HB2 GLU 12 2HB GLU 12 0.863 -13.577 -9.909 94 HB3 GLU 12 3HB GLU 12 1.613 -11.997 -10.124 95 HG2 GLU 12 2HG GLU 12 3.083 -12.473 -8.168 96 HG3 GLU 12 3HG GLU 12 2.378 -14.084 -8.072 97 H ARG 13 H ARG 13 -1.895 -13.353 -8.650 98 HA ARG 13 HA ARG 13 -3.069 -11.812 -10.727 99 HB2 ARG 13 2HB ARG 13 -4.366 -13.724 -8.746 100 HB3 ARG 13 3HB ARG 13 -5.196 -13.021 -10.127 101 HG2 ARG 13 2HG ARG 13 -2.799 -14.877 -10.259 102 HG3 ARG 13 3HG ARG 13 -4.477 -15.312 -10.587 103 HD2 ARG 13 2HD ARG 13 -2.798 -13.342 -12.178 104 HD3 ARG 13 3HD ARG 13 -3.273 -14.970 -12.682 105 HE ARG 13 HE ARG 13 -5.639 -13.694 -12.126 106 HH11 ARG 13 1HH1 ARG 13 -3.002 -13.062 -14.351 107 HH12 ARG 13 2HH1 ARG 13 -4.019 -12.273 -15.510 108 HH21 ARG 13 1HH2 ARG 13 -6.953 -12.642 -13.649 109 HH22 ARG 13 2HH2 ARG 13 -6.252 -12.031 -15.116 110 H ILE 14 H ILE 14 -3.576 -11.841 -7.184 111 HA ILE 14 HA ILE 14 -5.547 -9.826 -7.065 112 HB ILE 14 HB ILE 14 -3.467 -10.565 -4.948 113 HG12 ILE 14 2HG1 ILE 14 -6.358 -11.537 -5.223 114 HG13 ILE 14 3HG1 ILE 14 -4.947 -12.466 -5.711 115 HG21 ILE 14 1HG2 ILE 14 -6.083 -9.038 -4.603 116 HG22 ILE 14 2HG2 ILE 14 -4.459 -8.358 -4.467 117 HG23 ILE 14 3HG2 ILE 14 -5.013 -9.554 -3.296 118 HD11 ILE 14 1HD1 ILE 14 -5.800 -13.211 -3.573 119 HD12 ILE 14 2HD1 ILE 14 -5.587 -11.597 -2.895 120 HD13 ILE 14 3HD1 ILE 14 -4.179 -12.538 -3.395 121 H LEU 15 H LEU 15 -1.980 -9.642 -6.872 122 HA LEU 15 HA LEU 15 -1.624 -6.909 -6.433 123 HB2 LEU 15 2HB LEU 15 0.095 -8.838 -8.035 124 HB3 LEU 15 3HB LEU 15 0.610 -7.215 -7.607 125 HG LEU 15 HG LEU 15 0.010 -9.440 -5.613 126 HD11 LEU 15 1HD1 LEU 15 2.040 -9.897 -6.913 127 HD12 LEU 15 2HD1 LEU 15 2.436 -9.515 -5.240 128 HD13 LEU 15 3HD1 LEU 15 2.685 -8.304 -6.502 129 HD21 LEU 15 1HD2 LEU 15 1.127 -6.651 -5.129 130 HD22 LEU 15 2HD2 LEU 15 0.966 -7.924 -3.915 131 HD23 LEU 15 3HD2 LEU 15 -0.473 -7.230 -4.655 132 H GLU 16 H GLU 16 -1.945 -8.624 -9.580 133 HA GLU 16 HA GLU 16 -1.541 -6.215 -11.110 134 HB2 GLU 16 2HB GLU 16 -1.871 -7.559 -13.094 135 HB3 GLU 16 3HB GLU 16 -0.819 -8.415 -11.975 136 HG2 GLU 16 2HG GLU 16 -2.613 -9.914 -11.341 137 HG3 GLU 16 3HG GLU 16 -3.779 -8.995 -12.288 138 H GLU 17 H GLU 17 -4.402 -7.965 -9.965 139 HA GLU 17 HA GLU 17 -6.338 -6.600 -11.531 140 HB2 GLU 17 2HB GLU 17 -6.621 -7.757 -8.723 141 HB3 GLU 17 3HB GLU 17 -7.969 -7.172 -9.693 142 HG2 GLU 17 2HG GLU 17 -6.205 -9.552 -10.291 143 HG3 GLU 17 3HG GLU 17 -7.875 -9.579 -9.755 144 H LEU 18 H LEU 18 -4.862 -5.916 -8.375 145 HA LEU 18 HA LEU 18 -6.352 -3.523 -7.869 146 HB2 LEU 18 2HB LEU 18 -3.792 -4.546 -6.579 147 HB3 LEU 18 3HB LEU 18 -4.763 -3.209 -5.978 148 HG LEU 18 HG LEU 18 -5.544 -6.148 -6.070 149 HD11 LEU 18 1HD1 LEU 18 -5.757 -5.935 -3.630 150 HD12 LEU 18 2HD1 LEU 18 -5.232 -4.252 -3.726 151 HD13 LEU 18 3HD1 LEU 18 -4.127 -5.551 -4.179 152 HD21 LEU 18 1HD2 LEU 18 -7.493 -4.859 -6.754 153 HD22 LEU 18 2HD2 LEU 18 -7.325 -3.808 -5.346 154 HD23 LEU 18 3HD2 LEU 18 -7.726 -5.513 -5.134 155 H LEU 19 H LEU 19 -3.304 -4.249 -9.458 156 HA LEU 19 HA LEU 19 -2.291 -1.642 -9.789 157 HB2 LEU 19 2HB LEU 19 -0.930 -3.580 -10.362 158 HB3 LEU 19 3HB LEU 19 -2.083 -4.087 -11.587 159 HG LEU 19 HG LEU 19 -1.511 -2.087 -12.959 160 HD11 LEU 19 1HD1 LEU 19 -0.862 -0.523 -11.208 161 HD12 LEU 19 2HD1 LEU 19 0.414 -0.673 -12.411 162 HD13 LEU 19 3HD1 LEU 19 0.579 -1.479 -10.848 163 HD21 LEU 19 1HD2 LEU 19 -0.329 -4.184 -13.377 164 HD22 LEU 19 2HD2 LEU 19 0.916 -3.742 -12.206 165 HD23 LEU 19 3HD2 LEU 19 0.712 -2.798 -13.685 166 H GLU 20 H GLU 20 -4.494 -3.577 -11.799 167 HA GLU 20 HA GLU 20 -5.041 -1.678 -13.774 168 HB2 GLU 20 2HB GLU 20 -6.761 -3.946 -12.704 169 HB3 GLU 20 3HB GLU 20 -7.161 -3.009 -14.137 170 HG2 GLU 20 2HG GLU 20 -4.667 -4.694 -13.793 171 HG3 GLU 20 3HG GLU 20 -6.111 -5.182 -14.672 172 H VAL 21 H VAL 21 -6.678 -2.293 -10.649 173 HA VAL 21 HA VAL 21 -8.821 -0.503 -10.924 174 HB VAL 21 HB VAL 21 -7.393 -1.399 -8.375 175 HG11 VAL 21 1HG1 VAL 21 -8.650 0.669 -7.899 176 HG12 VAL 21 2HG1 VAL 21 -9.414 -0.716 -7.125 177 HG13 VAL 21 3HG1 VAL 21 -10.113 -0.036 -8.598 178 HG21 VAL 21 1HG2 VAL 21 -9.962 -2.428 -9.645 179 HG22 VAL 21 2HG2 VAL 21 -9.241 -3.003 -8.138 180 HG23 VAL 21 3HG2 VAL 21 -8.398 -3.247 -9.665 181 H VAL 22 H VAL 22 -5.527 0.052 -9.638 182 HA VAL 22 HA VAL 22 -5.748 2.742 -8.872 183 HB VAL 22 HB VAL 22 -3.331 1.308 -10.082 184 HG11 VAL 22 1HG1 VAL 22 -3.403 3.952 -8.575 185 HG12 VAL 22 2HG1 VAL 22 -3.023 3.728 -10.284 186 HG13 VAL 22 3HG1 VAL 22 -1.941 3.085 -9.052 187 HG21 VAL 22 1HG2 VAL 22 -4.013 1.814 -7.164 188 HG22 VAL 22 2HG2 VAL 22 -2.549 1.032 -7.769 189 HG23 VAL 22 3HG2 VAL 22 -4.118 0.266 -8.000 190 H LEU 23 H LEU 23 -4.905 1.302 -12.015 191 HA LEU 23 HA LEU 23 -4.315 3.719 -13.372 192 HB2 LEU 23 2HB LEU 23 -5.065 0.997 -14.510 193 HB3 LEU 23 3HB LEU 23 -4.328 2.308 -15.420 194 HG LEU 23 HG LEU 23 -3.029 0.787 -13.124 195 HD11 LEU 23 1HD1 LEU 23 -1.491 -0.118 -14.814 196 HD12 LEU 23 2HD1 LEU 23 -2.402 0.697 -16.089 197 HD13 LEU 23 3HD1 LEU 23 -3.162 -0.579 -15.137 198 HD21 LEU 23 1HD2 LEU 23 -1.850 3.002 -14.827 199 HD22 LEU 23 2HD2 LEU 23 -0.985 2.040 -13.626 200 HD23 LEU 23 3HD2 LEU 23 -2.283 3.113 -13.118 201 H LYS 24 H LYS 24 -7.300 1.772 -13.127 202 HA LYS 24 HA LYS 24 -8.796 3.136 -15.136 203 HB2 LYS 24 2HB LYS 24 -9.997 1.735 -12.699 204 HB3 LYS 24 3HB LYS 24 -10.779 2.051 -14.239 205 HG2 LYS 24 2HG LYS 24 -8.637 0.021 -13.631 206 HG3 LYS 24 3HG LYS 24 -10.302 -0.282 -14.102 207 HD2 LYS 24 2HD LYS 24 -9.840 0.563 -16.364 208 HD3 LYS 24 3HD LYS 24 -8.185 0.972 -15.895 209 HE2 LYS 24 2HE LYS 24 -7.748 -1.435 -15.435 210 HE3 LYS 24 3HE LYS 24 -9.382 -1.822 -15.979 211 HZ1 LYS 24 1HZ LYS 24 -7.273 -0.555 -17.641 212 HZ2 LYS 24 2HZ LYS 24 -8.824 -0.977 -18.165 213 HZ3 LYS 24 3HZ LYS 24 -7.727 -2.181 -17.706 214 H SER 25 H SER 25 -8.348 3.568 -11.671 215 HA SER 25 HA SER 25 -10.288 5.589 -11.210 216 HB2 SER 25 2HB SER 25 -7.748 4.936 -9.643 217 HB3 SER 25 3HB SER 25 -9.095 5.916 -9.052 218 HG SER 25 HG SER 25 -8.805 3.269 -8.976 219 H ASP 26 H ASP 26 -6.716 5.790 -11.449 220 HA ASP 26 HA ASP 26 -6.811 8.406 -12.706 221 HB2 ASP 26 2HB ASP 26 -6.948 8.947 -10.265 222 HB3 ASP 26 3HB ASP 26 -5.473 8.039 -9.977 223 HA PRO 27 HA PRO 27 -3.226 6.240 -14.444 224 HB2 PRO 27 2HB PRO 27 -2.739 7.848 -16.562 225 HB3 PRO 27 3HB PRO 27 -4.229 6.884 -16.469 226 HG2 PRO 27 2HG PRO 27 -3.839 9.794 -15.838 227 HG3 PRO 27 3HG PRO 27 -5.133 9.017 -16.780 228 HD2 PRO 27 2HD PRO 27 -5.396 9.725 -14.125 229 HD3 PRO 27 3HD PRO 27 -6.320 8.411 -14.888 230 H ASN 28 H ASN 28 -3.104 9.389 -13.005 231 HA ASN 28 HA ASN 28 -0.348 10.027 -13.636 232 HB2 ASN 28 2HB ASN 28 -2.116 11.280 -11.480 233 HB3 ASN 28 3HB ASN 28 -0.620 11.951 -12.117 234 HD21 ASN 28 1HD2 ASN 28 -3.990 11.370 -12.724 235 HD22 ASN 28 2HD2 ASN 28 -4.137 12.413 -14.095 236 H VAL 29 H VAL 29 -2.006 8.255 -11.162 237 HA VAL 29 HA VAL 29 -0.278 8.423 -8.976 238 HB VAL 29 HB VAL 29 -1.910 5.984 -9.833 239 HG11 VAL 29 1HG1 VAL 29 -0.840 6.746 -7.084 240 HG12 VAL 29 2HG1 VAL 29 -0.268 5.412 -8.087 241 HG13 VAL 29 3HG1 VAL 29 -1.902 5.376 -7.423 242 HG21 VAL 29 1HG2 VAL 29 -3.695 6.865 -8.399 243 HG22 VAL 29 2HG2 VAL 29 -3.304 7.998 -9.690 244 HG23 VAL 29 3HG2 VAL 29 -2.726 8.299 -8.052 245 H LYS 30 H LYS 30 1.745 7.739 -8.634 246 HA LYS 30 HA LYS 30 3.283 6.248 -10.534 247 HB2 LYS 30 2HB LYS 30 4.262 7.988 -9.038 248 HB3 LYS 30 3HB LYS 30 3.912 6.990 -7.636 249 HG2 LYS 30 2HG LYS 30 6.264 6.818 -8.167 250 HG3 LYS 30 3HG LYS 30 5.498 5.263 -8.507 251 HD2 LYS 30 2HD LYS 30 5.419 5.856 -10.924 252 HD3 LYS 30 3HD LYS 30 6.207 7.394 -10.562 253 HE2 LYS 30 2HE LYS 30 8.218 6.208 -9.802 254 HE3 LYS 30 3HE LYS 30 7.424 4.652 -10.074 255 HZ1 LYS 30 1HZ LYS 30 8.040 6.668 -12.170 256 HZ2 LYS 30 2HZ LYS 30 7.277 5.183 -12.429 257 HZ3 LYS 30 3HZ LYS 30 8.883 5.226 -11.910 258 H THR 31 H THR 31 3.412 4.064 -10.697 259 HA THR 31 HA THR 31 2.632 2.364 -8.385 260 HB THR 31 HB THR 31 1.887 0.655 -10.062 261 HG1 THR 31 HG1 THR 31 2.993 2.452 -11.800 262 HG21 THR 31 1HG2 THR 31 0.164 2.138 -9.090 263 HG22 THR 31 2HG2 THR 31 -0.220 1.749 -10.767 264 HG23 THR 31 3HG2 THR 31 0.452 3.328 -10.361 265 H VAL 32 H VAL 32 4.072 0.840 -7.797 266 HA VAL 32 HA VAL 32 6.403 0.158 -9.469 267 HB VAL 32 HB VAL 32 6.652 1.025 -6.529 268 HG11 VAL 32 1HG1 VAL 32 8.834 0.334 -8.533 269 HG12 VAL 32 2HG1 VAL 32 8.314 -0.663 -7.171 270 HG13 VAL 32 3HG1 VAL 32 9.088 0.894 -6.877 271 HG21 VAL 32 1HG2 VAL 32 6.186 3.018 -7.885 272 HG22 VAL 32 2HG2 VAL 32 7.513 2.619 -8.976 273 HG23 VAL 32 3HG2 VAL 32 7.851 3.049 -7.296 274 H ARG 33 H ARG 33 6.706 -2.050 -9.357 275 HA ARG 33 HA ARG 33 5.505 -3.524 -7.077 276 HB2 ARG 33 2HB ARG 33 4.531 -4.172 -9.211 277 HB3 ARG 33 3HB ARG 33 6.123 -4.446 -9.912 278 HG2 ARG 33 2HG ARG 33 6.486 -6.359 -8.429 279 HG3 ARG 33 3HG ARG 33 4.952 -6.053 -7.613 280 HD2 ARG 33 2HD ARG 33 3.693 -6.661 -9.566 281 HD3 ARG 33 3HD ARG 33 5.141 -6.662 -10.579 282 HE ARG 33 HE ARG 33 5.523 -8.538 -8.548 283 HH11 ARG 33 1HH1 ARG 33 3.414 -8.127 -11.335 284 HH12 ARG 33 2HH1 ARG 33 3.220 -9.831 -11.593 285 HH21 ARG 33 1HH2 ARG 33 5.329 -10.754 -8.932 286 HH22 ARG 33 2HH2 ARG 33 4.321 -11.337 -10.217 287 H THR 34 H THR 34 7.234 -3.115 -5.737 288 HA THR 34 HA THR 34 9.642 -4.770 -6.224 289 HB THR 34 HB THR 34 10.365 -2.451 -6.152 290 HG1 THR 34 HG1 THR 34 11.855 -3.646 -5.120 291 HG21 THR 34 1HG2 THR 34 8.958 -2.202 -3.465 292 HG22 THR 34 2HG2 THR 34 8.471 -1.410 -4.967 293 HG23 THR 34 3HG2 THR 34 10.001 -0.983 -4.201 294 H ASP 35 H ASP 35 10.554 -5.692 -4.215 295 HA ASP 35 HA ASP 35 8.500 -6.290 -2.161 296 HB2 ASP 35 2HB ASP 35 9.551 -8.548 -1.928 297 HB3 ASP 35 3HB ASP 35 8.859 -8.275 -3.523 298 H ASP 36 H ASP 36 11.814 -5.442 -2.846 299 HA ASP 36 HA ASP 36 12.939 -5.778 -0.270 300 HB2 ASP 36 2HB ASP 36 13.739 -4.031 -2.635 301 HB3 ASP 36 3HB ASP 36 14.668 -4.053 -1.138 302 H LYS 37 H LYS 37 12.263 -4.763 1.498 303 HA LYS 37 HA LYS 37 10.774 -2.388 1.685 304 HB2 LYS 37 2HB LYS 37 11.340 -2.374 4.124 305 HB3 LYS 37 3HB LYS 37 10.720 -3.908 3.556 306 HG2 LYS 37 2HG LYS 37 13.702 -3.558 3.738 307 HG3 LYS 37 3HG LYS 37 12.782 -3.785 5.224 308 HD2 LYS 37 2HD LYS 37 11.858 -5.909 4.304 309 HD3 LYS 37 3HD LYS 37 12.834 -5.689 2.849 310 HE2 LYS 37 2HE LYS 37 13.928 -7.258 4.351 311 HE3 LYS 37 3HE LYS 37 14.889 -5.785 4.237 312 HZ1 LYS 37 1HZ LYS 37 14.725 -6.570 6.508 313 HZ2 LYS 37 2HZ LYS 37 13.040 -6.478 6.455 314 HZ3 LYS 37 3HZ LYS 37 13.967 -5.066 6.353 315 H GLU 38 H GLU 38 14.186 -2.873 1.376 316 HA GLU 38 HA GLU 38 15.134 -0.280 2.045 317 HB2 GLU 38 2HB GLU 38 16.256 -2.320 0.068 318 HB3 GLU 38 3HB GLU 38 17.135 -0.930 0.697 319 HG2 GLU 38 2HG GLU 38 16.992 -1.874 2.982 320 HG3 GLU 38 3HG GLU 38 16.109 -3.260 2.352 321 H LYS 39 H LYS 39 14.180 -1.765 -1.049 322 HA LYS 39 HA LYS 39 14.678 0.478 -2.694 323 HB2 LYS 39 2HB LYS 39 14.637 -1.771 -3.621 324 HB3 LYS 39 3HB LYS 39 12.961 -1.999 -3.137 325 HG2 LYS 39 2HG LYS 39 13.178 -1.617 -5.556 326 HG3 LYS 39 3HG LYS 39 12.224 -0.350 -4.784 327 HD2 LYS 39 2HD LYS 39 14.222 1.140 -4.811 328 HD3 LYS 39 3HD LYS 39 15.139 -0.129 -5.633 329 HE2 LYS 39 2HE LYS 39 13.703 0.010 -7.579 330 HE3 LYS 39 3HE LYS 39 12.598 1.111 -6.743 331 HZ1 LYS 39 1HZ LYS 39 14.090 2.268 -8.255 332 HZ2 LYS 39 2HZ LYS 39 15.431 1.709 -7.400 333 HZ3 LYS 39 3HZ LYS 39 14.331 2.763 -6.658 334 H VAL 40 H VAL 40 11.734 -0.649 -1.031 335 HA VAL 40 HA VAL 40 9.883 1.079 -2.225 336 HB VAL 40 HB VAL 40 9.784 0.168 0.689 337 HG11 VAL 40 1HG1 VAL 40 7.318 0.389 0.400 338 HG12 VAL 40 2HG1 VAL 40 7.576 1.038 -1.220 339 HG13 VAL 40 3HG1 VAL 40 8.156 1.927 0.190 340 HG21 VAL 40 1HG2 VAL 40 8.716 -1.285 -1.763 341 HG22 VAL 40 2HG2 VAL 40 8.461 -1.766 -0.083 342 HG23 VAL 40 3HG2 VAL 40 10.082 -1.791 -0.769 343 H LYS 41 H LYS 41 12.068 1.574 0.539 344 HA LYS 41 HA LYS 41 11.150 4.105 1.374 345 HB2 LYS 41 2HB LYS 41 13.909 2.846 1.621 346 HB3 LYS 41 3HB LYS 41 13.448 4.359 2.403 347 HG2 LYS 41 2HG LYS 41 11.656 3.151 3.636 348 HG3 LYS 41 3HG LYS 41 12.205 1.641 2.903 349 HD2 LYS 41 2HD LYS 41 14.421 1.917 3.983 350 HD3 LYS 41 3HD LYS 41 13.877 3.437 4.706 351 HE2 LYS 41 2HE LYS 41 13.773 1.574 6.315 352 HE3 LYS 41 3HE LYS 41 12.163 2.226 5.989 353 HZ1 LYS 41 1HZ LYS 41 12.098 -0.150 5.982 354 HZ2 LYS 41 2HZ LYS 41 13.340 -0.250 4.847 355 HZ3 LYS 41 3HZ LYS 41 11.842 0.387 4.403 356 H GLU 42 H GLU 42 13.518 3.188 -1.089 357 HA GLU 42 HA GLU 42 14.471 5.762 -1.781 358 HB2 GLU 42 2HB GLU 42 14.161 3.285 -3.540 359 HB3 GLU 42 3HB GLU 42 15.124 4.702 -3.953 360 HG2 GLU 42 2HG GLU 42 16.607 4.268 -2.033 361 HG3 GLU 42 3HG GLU 42 15.624 2.877 -1.584 362 H GLU 43 H GLU 43 11.718 3.846 -2.873 363 HA GLU 43 HA GLU 43 10.769 5.709 -4.828 364 HB2 GLU 43 2HB GLU 43 9.304 3.416 -3.459 365 HB3 GLU 43 3HB GLU 43 8.775 4.257 -4.909 366 HG2 GLU 43 2HG GLU 43 11.244 2.530 -4.639 367 HG3 GLU 43 3HG GLU 43 9.761 2.111 -5.491 368 H ILE 44 H ILE 44 10.264 5.408 -1.360 369 HA ILE 44 HA ILE 44 7.933 7.078 -1.162 370 HB ILE 44 HB ILE 44 9.982 6.238 0.944 371 HG12 ILE 44 2HG1 ILE 44 7.115 5.276 0.477 372 HG13 ILE 44 3HG1 ILE 44 8.563 4.396 0.016 373 HG21 ILE 44 1HG2 ILE 44 7.363 7.719 1.416 374 HG22 ILE 44 2HG2 ILE 44 8.986 8.357 1.682 375 HG23 ILE 44 3HG2 ILE 44 8.390 7.032 2.679 376 HD11 ILE 44 1HD1 ILE 44 7.604 3.470 2.020 377 HD12 ILE 44 2HD1 ILE 44 7.686 5.031 2.833 378 HD13 ILE 44 3HD1 ILE 44 9.172 4.184 2.392 379 H GLU 45 H GLU 45 11.443 7.658 -1.015 380 HA GLU 45 HA GLU 45 11.472 10.397 -0.320 381 HB2 GLU 45 2HB GLU 45 13.369 9.015 -2.268 382 HB3 GLU 45 3HB GLU 45 13.682 10.510 -1.390 383 HG2 GLU 45 2HG GLU 45 13.699 9.283 0.729 384 HG3 GLU 45 3HG GLU 45 13.323 7.787 -0.122 385 H LYS 46 H LYS 46 11.139 8.760 -3.407 386 HA LYS 46 HA LYS 46 11.044 11.048 -5.115 387 HB2 LYS 46 2HB LYS 46 10.051 8.196 -5.499 388 HB3 LYS 46 3HB LYS 46 10.218 9.387 -6.788 389 HG2 LYS 46 2HG LYS 46 12.610 9.388 -6.620 390 HG3 LYS 46 3HG LYS 46 12.572 8.505 -5.089 391 HD2 LYS 46 2HD LYS 46 13.235 7.047 -6.989 392 HD3 LYS 46 3HD LYS 46 11.752 6.497 -6.207 393 HE2 LYS 46 2HE LYS 46 10.425 7.549 -8.021 394 HE3 LYS 46 3HE LYS 46 11.923 8.059 -8.804 395 HZ1 LYS 46 1HZ LYS 46 11.111 6.061 -9.801 396 HZ2 LYS 46 2HZ LYS 46 11.062 5.267 -8.314 397 HZ3 LYS 46 3HZ LYS 46 12.544 5.716 -8.982 398 H ALA 47 H ALA 47 8.589 9.027 -3.537 399 HA ALA 47 HA ALA 47 6.264 10.246 -4.618 400 HB1 ALA 47 1HB ALA 47 6.248 8.053 -3.497 401 HB2 ALA 47 2HB ALA 47 5.078 9.151 -2.765 402 HB3 ALA 47 3HB ALA 47 6.617 8.827 -1.955 403 H ARG 48 H ARG 48 8.401 11.090 -1.972 404 HA ARG 48 HA ARG 48 6.815 13.124 -0.768 405 HB2 ARG 48 2HB ARG 48 8.784 11.977 0.326 406 HB3 ARG 48 3HB ARG 48 9.857 12.847 -0.763 407 HG2 ARG 48 2HG ARG 48 9.858 13.991 1.358 408 HG3 ARG 48 3HG ARG 48 8.987 15.008 0.204 409 HD2 ARG 48 2HD ARG 48 6.838 14.109 1.096 410 HD3 ARG 48 3HD ARG 48 7.741 13.178 2.290 411 HE ARG 48 HE ARG 48 7.135 16.004 2.324 412 HH11 ARG 48 1HH1 ARG 48 9.304 13.545 3.616 413 HH12 ARG 48 2HH1 ARG 48 9.688 14.481 5.026 414 HH21 ARG 48 1HH2 ARG 48 7.593 17.167 4.205 415 HH22 ARG 48 2HH2 ARG 48 8.721 16.530 5.358 416 H LYS 49 H LYS 49 9.467 13.177 -3.157 417 HA LYS 49 HA LYS 49 9.650 15.978 -3.498 418 HB2 LYS 49 2HB LYS 49 10.444 13.707 -5.365 419 HB3 LYS 49 3HB LYS 49 10.874 15.395 -5.634 420 HG2 LYS 49 2HG LYS 49 12.166 15.410 -3.523 421 HG3 LYS 49 3HG LYS 49 11.724 13.722 -3.248 422 HD2 LYS 49 2HD LYS 49 14.012 13.933 -4.172 423 HD3 LYS 49 3HD LYS 49 12.950 13.026 -5.251 424 HE2 LYS 49 2HE LYS 49 14.401 14.596 -6.487 425 HE3 LYS 49 3HE LYS 49 12.698 14.995 -6.695 426 HZ1 LYS 49 1HZ LYS 49 12.957 16.757 -5.047 427 HZ2 LYS 49 2HZ LYS 49 14.038 16.968 -6.330 428 HZ3 LYS 49 3HZ LYS 49 14.590 16.360 -4.849 429 H GLN 50 H GLN 50 8.151 13.522 -5.591 430 HA GLN 50 HA GLN 50 6.877 15.326 -7.383 431 HB2 GLN 50 2HB GLN 50 6.231 12.404 -6.765 432 HB3 GLN 50 3HB GLN 50 5.634 13.303 -8.155 433 HG2 GLN 50 2HG GLN 50 8.547 12.686 -7.606 434 HG3 GLN 50 3HG GLN 50 7.509 11.785 -8.704 435 HE21 GLN 50 1HE2 GLN 50 6.182 14.144 -9.820 436 HE22 GLN 50 2HE2 GLN 50 7.351 14.926 -10.818 437 H GLY 51 H GLY 51 6.005 13.966 -4.278 438 HA2 GLY 51 2HA GLY 51 4.277 14.352 -2.836 439 HA3 GLY 51 3HA GLY 51 3.995 15.841 -3.728 440 H ARG 52 H ARG 52 3.781 12.502 -4.889 441 HA ARG 52 HA ARG 52 0.875 12.846 -5.407 442 HB2 ARG 52 2HB ARG 52 1.154 11.595 -7.507 443 HB3 ARG 52 3HB ARG 52 2.172 13.028 -7.513 444 HG2 ARG 52 2HG ARG 52 4.158 11.659 -7.059 445 HG3 ARG 52 3HG ARG 52 3.156 10.206 -6.957 446 HD2 ARG 52 2HD ARG 52 4.294 10.415 -9.155 447 HD3 ARG 52 3HD ARG 52 2.535 10.419 -9.313 448 HE ARG 52 HE ARG 52 3.837 13.029 -9.183 449 HH11 ARG 52 1HH1 ARG 52 2.506 10.557 -11.295 450 HH12 ARG 52 2HH1 ARG 52 2.316 11.636 -12.636 451 HH21 ARG 52 1HH2 ARG 52 3.539 14.439 -10.956 452 HH22 ARG 52 2HH2 ARG 52 2.898 13.831 -12.445 453 HA PRO 53 HA PRO 53 0.270 8.775 -3.464 454 HB2 PRO 53 2HB PRO 53 -1.449 7.551 -5.319 455 HB3 PRO 53 3HB PRO 53 -1.971 8.650 -4.034 456 HG2 PRO 53 2HG PRO 53 -1.473 9.247 -6.925 457 HG3 PRO 53 3HG PRO 53 -2.774 9.830 -5.860 458 HD2 PRO 53 2HD PRO 53 -0.681 11.405 -6.463 459 HD3 PRO 53 3HD PRO 53 -1.408 11.431 -4.841 460 H ILE 54 H ILE 54 1.496 6.996 -3.493 461 HA ILE 54 HA ILE 54 2.374 5.811 -6.053 462 HB ILE 54 HB ILE 54 4.283 6.968 -4.924 463 HG12 ILE 54 2HG1 ILE 54 4.623 3.933 -4.876 464 HG13 ILE 54 3HG1 ILE 54 4.623 4.904 -6.345 465 HG21 ILE 54 1HG2 ILE 54 3.868 4.995 -2.646 466 HG22 ILE 54 2HG2 ILE 54 3.602 6.738 -2.573 467 HG23 ILE 54 3HG2 ILE 54 5.232 6.107 -2.810 468 HD11 ILE 54 1HD1 ILE 54 6.869 4.338 -5.660 469 HD12 ILE 54 2HD1 ILE 54 6.622 5.108 -4.095 470 HD13 ILE 54 3HD1 ILE 54 6.619 6.080 -5.571 471 H VAL 55 H VAL 55 2.073 3.596 -6.184 472 HA VAL 55 HA VAL 55 0.980 2.214 -3.796 473 HB VAL 55 HB VAL 55 0.153 1.638 -6.690 474 HG11 VAL 55 1HG1 VAL 55 -1.008 0.682 -4.041 475 HG12 VAL 55 2HG1 VAL 55 -0.054 -0.285 -5.170 476 HG13 VAL 55 3HG1 VAL 55 -1.646 0.304 -5.644 477 HG21 VAL 55 1HG2 VAL 55 -0.658 3.882 -6.054 478 HG22 VAL 55 2HG2 VAL 55 -1.399 3.220 -4.597 479 HG23 VAL 55 3HG2 VAL 55 -1.998 2.744 -6.188 480 H ILE 56 H ILE 56 2.260 0.655 -3.155 481 HA ILE 56 HA ILE 56 4.376 -0.421 -4.902 482 HB ILE 56 HB ILE 56 4.165 -0.433 -1.848 483 HG12 ILE 56 2HG1 ILE 56 4.469 1.871 -2.811 484 HG13 ILE 56 3HG1 ILE 56 5.820 1.354 -1.815 485 HG21 ILE 56 1HG2 ILE 56 6.538 -1.129 -1.877 486 HG22 ILE 56 2HG2 ILE 56 6.501 -1.217 -3.638 487 HG23 ILE 56 3HG2 ILE 56 5.507 -2.314 -2.679 488 HD11 ILE 56 1HD1 ILE 56 5.760 1.413 -4.832 489 HD12 ILE 56 2HD1 ILE 56 7.122 0.875 -3.847 490 HD13 ILE 56 3HD1 ILE 56 6.586 2.553 -3.771 491 H PHE 57 H PHE 57 3.973 -2.400 -5.679 492 HA PHE 57 HA PHE 57 2.067 -4.206 -4.339 493 HB2 PHE 57 2HB PHE 57 3.238 -4.301 -7.161 494 HB3 PHE 57 3HB PHE 57 2.037 -5.417 -6.511 495 HD1 PHE 57 HD1 PHE 57 -0.279 -4.636 -6.032 496 HD2 PHE 57 HD2 PHE 57 2.597 -2.055 -7.878 497 HE1 PHE 57 HE1 PHE 57 -2.075 -3.096 -6.698 498 HE2 PHE 57 HE2 PHE 57 0.790 -0.528 -8.543 499 HZ PHE 57 HZ PHE 57 -1.541 -1.043 -7.949 500 H ILE 58 H ILE 58 2.999 -5.547 -2.966 501 HA ILE 58 HA ILE 58 5.724 -6.591 -3.432 502 HB ILE 58 HB ILE 58 4.253 -6.309 -0.759 503 HG12 ILE 58 2HG1 ILE 58 6.519 -4.593 -1.887 504 HG13 ILE 58 3HG1 ILE 58 4.852 -4.078 -1.665 505 HG21 ILE 58 1HG2 ILE 58 5.843 -8.180 -0.752 506 HG22 ILE 58 2HG2 ILE 58 6.455 -6.872 0.255 507 HG23 ILE 58 3HG2 ILE 58 7.128 -7.128 -1.354 508 HD11 ILE 58 1HD1 ILE 58 6.788 -4.810 0.527 509 HD12 ILE 58 2HD1 ILE 58 5.109 -4.311 0.759 510 HD13 ILE 58 3HD1 ILE 58 6.277 -3.188 0.062 511 H ARG 59 H ARG 59 5.801 -8.701 -3.897 512 HA ARG 59 HA ARG 59 3.769 -10.559 -2.805 513 HB2 ARG 59 2HB ARG 59 4.000 -10.705 -5.250 514 HB3 ARG 59 3HB ARG 59 5.745 -10.890 -5.107 515 HG2 ARG 59 2HG ARG 59 5.390 -13.049 -3.916 516 HG3 ARG 59 3HG ARG 59 3.650 -12.871 -4.154 517 HD2 ARG 59 2HD ARG 59 4.761 -14.389 -5.809 518 HD3 ARG 59 3HD ARG 59 3.897 -13.039 -6.541 519 HE ARG 59 HE ARG 59 5.897 -12.119 -7.245 520 HH11 ARG 59 1HH1 ARG 59 6.585 -14.988 -5.324 521 HH12 ARG 59 2HH1 ARG 59 8.242 -15.061 -5.822 522 HH21 ARG 59 1HH2 ARG 59 8.080 -12.185 -7.821 523 HH22 ARG 59 2HH2 ARG 59 9.088 -13.469 -7.239 524 H GLY 60 H GLY 60 4.403 -11.729 -1.092 525 HA2 GLY 60 2HA GLY 60 5.684 -13.048 0.278 526 HA3 GLY 60 3HA GLY 60 6.992 -12.961 -0.890 527 H ALA 61 H ALA 61 5.293 -11.027 1.530 528 HA ALA 61 HA ALA 61 7.878 -9.907 2.490 529 HB1 ALA 61 1HB ALA 61 6.530 -8.017 3.385 530 HB2 ALA 61 2HB ALA 61 5.082 -8.711 2.651 531 HB3 ALA 61 3HB ALA 61 6.405 -8.147 1.633 532 H THR 62 H THR 62 6.953 -9.021 4.946 533 HA THR 62 HA THR 62 5.258 -10.843 6.350 534 HB THR 62 HB THR 62 7.308 -12.243 6.339 535 HG1 THR 62 HG1 THR 62 6.211 -12.604 8.163 536 HG21 THR 62 1HG2 THR 62 9.340 -11.558 7.557 537 HG22 THR 62 2HG2 THR 62 8.654 -9.951 7.800 538 HG23 THR 62 3HG2 THR 62 9.038 -10.505 6.169 539 H GLU 63 H GLU 63 5.795 -10.145 9.000 540 HA GLU 63 HA GLU 63 4.639 -7.593 9.072 541 HB2 GLU 63 2HB GLU 63 4.468 -9.340 10.911 542 HB3 GLU 63 3HB GLU 63 6.089 -8.876 11.418 543 HG2 GLU 63 2HG GLU 63 4.998 -6.426 11.474 544 HG3 GLU 63 3HG GLU 63 3.505 -7.342 11.643 545 H GLU 64 H GLU 64 7.970 -8.602 9.753 546 HA GLU 64 HA GLU 64 8.916 -6.091 10.642 547 HB2 GLU 64 2HB GLU 64 11.154 -7.066 10.558 548 HB3 GLU 64 3HB GLU 64 10.008 -8.199 11.251 549 HG2 GLU 64 2HG GLU 64 10.982 -9.717 9.886 550 HG3 GLU 64 3HG GLU 64 9.973 -9.010 8.635 551 H VAL 65 H VAL 65 8.534 -7.394 7.408 552 HA VAL 65 HA VAL 65 10.172 -5.467 6.049 553 HB VAL 65 HB VAL 65 7.834 -7.142 4.999 554 HG11 VAL 65 1HG1 VAL 65 8.221 -5.239 3.503 555 HG12 VAL 65 2HG1 VAL 65 8.722 -6.739 2.728 556 HG13 VAL 65 3HG1 VAL 65 9.937 -5.641 3.387 557 HG21 VAL 65 1HG2 VAL 65 10.817 -7.711 4.820 558 HG22 VAL 65 2HG2 VAL 65 9.527 -8.683 4.104 559 HG23 VAL 65 3HG2 VAL 65 9.657 -8.547 5.855 560 H VAL 66 H VAL 66 6.625 -5.834 6.420 561 HA VAL 66 HA VAL 66 5.973 -3.534 4.911 562 HB VAL 66 HB VAL 66 4.218 -4.993 6.934 563 HG11 VAL 66 1HG1 VAL 66 3.261 -2.816 6.324 564 HG12 VAL 66 2HG1 VAL 66 2.301 -4.118 5.623 565 HG13 VAL 66 3HG1 VAL 66 3.414 -3.198 4.606 566 HG21 VAL 66 1HG2 VAL 66 5.124 -6.556 5.259 567 HG22 VAL 66 2HG2 VAL 66 4.529 -5.529 3.953 568 HG23 VAL 66 3HG2 VAL 66 3.388 -6.331 5.034 569 H ARG 67 H ARG 67 6.110 -4.086 8.440 570 HA ARG 67 HA ARG 67 5.192 -1.526 9.231 571 HB2 ARG 67 2HB ARG 67 5.857 -2.096 11.462 572 HB3 ARG 67 3HB ARG 67 5.313 -3.589 10.712 573 HG2 ARG 67 2HG ARG 67 7.683 -4.227 10.317 574 HG3 ARG 67 3HG ARG 67 8.196 -2.753 11.131 575 HD2 ARG 67 2HD ARG 67 7.077 -3.557 13.214 576 HD3 ARG 67 3HD ARG 67 6.676 -5.069 12.380 577 HE ARG 67 HE ARG 67 9.467 -4.435 12.232 578 HH11 ARG 67 1HH1 ARG 67 7.089 -5.897 14.398 579 HH12 ARG 67 2HH1 ARG 67 8.289 -6.832 15.239 580 HH21 ARG 67 1HH2 ARG 67 10.993 -5.645 13.326 581 HH22 ARG 67 2HH2 ARG 67 10.510 -6.688 14.628 582 H ASP 68 H ASP 68 8.398 -2.753 8.407 583 HA ASP 68 HA ASP 68 9.978 -0.578 9.359 584 HB2 ASP 68 2HB ASP 68 10.947 -2.792 8.989 585 HB3 ASP 68 3HB ASP 68 10.542 -2.729 7.281 586 H ILE 69 H ILE 69 8.363 -1.266 6.319 587 HA ILE 69 HA ILE 69 9.275 1.010 4.847 588 HB ILE 69 HB ILE 69 6.709 -0.628 4.609 589 HG12 ILE 69 2HG1 ILE 69 9.250 -0.854 2.926 590 HG13 ILE 69 3HG1 ILE 69 8.888 -1.896 4.297 591 HG21 ILE 69 1HG2 ILE 69 7.891 1.371 2.654 592 HG22 ILE 69 2HG2 ILE 69 6.365 1.517 3.531 593 HG23 ILE 69 3HG2 ILE 69 6.555 0.274 2.297 594 HD11 ILE 69 1HD1 ILE 69 6.886 -2.710 3.150 595 HD12 ILE 69 2HD1 ILE 69 8.358 -3.002 2.226 596 HD13 ILE 69 3HD1 ILE 69 7.273 -1.692 1.760 597 H VAL 70 H VAL 70 6.303 0.366 6.714 598 HA VAL 70 HA VAL 70 4.959 2.764 6.103 599 HB VAL 70 HB VAL 70 4.529 0.755 8.358 600 HG11 VAL 70 1HG1 VAL 70 3.481 2.879 9.018 601 HG12 VAL 70 2HG1 VAL 70 2.248 1.687 8.612 602 HG13 VAL 70 3HG1 VAL 70 2.641 2.974 7.468 603 HG21 VAL 70 1HG2 VAL 70 4.268 -0.157 6.072 604 HG22 VAL 70 2HG2 VAL 70 3.076 1.089 5.699 605 HG23 VAL 70 3HG2 VAL 70 2.728 -0.127 6.930 606 H GLU 71 H GLU 71 7.094 1.911 8.808 607 HA GLU 71 HA GLU 71 6.620 4.236 10.372 608 HB2 GLU 71 2HB GLU 71 8.698 3.604 11.610 609 HB3 GLU 71 3HB GLU 71 7.525 2.309 11.458 610 HG2 GLU 71 2HG GLU 71 9.384 1.087 10.996 611 HG3 GLU 71 3HG GLU 71 9.063 1.651 9.367 612 H TYR 72 H TYR 72 8.805 3.605 7.691 613 HA TYR 72 HA TYR 72 10.279 6.057 7.896 614 HB2 TYR 72 2HB TYR 72 11.205 4.120 6.695 615 HB3 TYR 72 3HB TYR 72 9.889 4.184 5.525 616 HD1 TYR 72 HD1 TYR 72 12.726 6.267 6.862 617 HD2 TYR 72 HD2 TYR 72 10.193 5.446 3.524 618 HE1 TYR 72 HE1 TYR 72 14.036 7.818 5.481 619 HE2 TYR 72 HE2 TYR 72 11.509 6.994 2.145 620 HH TYR 72 HH TYR 72 13.024 8.826 2.348 621 H ALA 73 H ALA 73 7.402 5.025 6.096 622 HA ALA 73 HA ALA 73 6.972 7.433 4.658 623 HB1 ALA 73 1HB ALA 73 5.900 5.317 4.044 624 HB2 ALA 73 2HB ALA 73 4.688 6.573 4.306 625 HB3 ALA 73 3HB ALA 73 4.961 5.337 5.538 626 H GLN 74 H GLN 74 6.130 6.416 7.931 627 HA GLN 74 HA GLN 74 4.562 8.758 8.575 628 HB2 GLN 74 2HB GLN 74 5.768 6.590 10.338 629 HB3 GLN 74 3HB GLN 74 4.732 7.882 10.940 630 HG2 GLN 74 2HG GLN 74 2.883 7.060 9.516 631 HG3 GLN 74 3HG GLN 74 3.912 5.765 8.919 632 HE21 GLN 74 1HE2 GLN 74 2.034 6.914 11.605 633 HE22 GLN 74 2HE2 GLN 74 2.080 5.460 12.531 634 H LYS 75 H LYS 75 7.994 7.882 8.793 635 HA LYS 75 HA LYS 75 8.932 10.068 10.341 636 HB2 LYS 75 2HB LYS 75 10.249 8.519 8.074 637 HB3 LYS 75 3HB LYS 75 11.089 9.797 8.945 638 HG2 LYS 75 2HG LYS 75 10.903 8.525 11.028 639 HG3 LYS 75 3HG LYS 75 10.009 7.254 10.187 640 HD2 LYS 75 2HD LYS 75 11.970 6.788 8.764 641 HD3 LYS 75 3HD LYS 75 12.870 8.093 9.554 642 HE2 LYS 75 2HE LYS 75 13.435 5.810 10.413 643 HE3 LYS 75 3HE LYS 75 12.848 6.910 11.661 644 HZ1 LYS 75 1HZ LYS 75 11.139 4.928 10.271 645 HZ2 LYS 75 2HZ LYS 75 10.734 5.854 11.627 646 HZ3 LYS 75 3HZ LYS 75 11.900 4.640 11.748 647 H GLU 76 H GLU 76 8.286 9.709 6.882 648 HA GLU 76 HA GLU 76 8.979 12.354 6.073 649 HB2 GLU 76 2HB GLU 76 7.200 10.253 4.765 650 HB3 GLU 76 3HB GLU 76 7.710 11.742 3.979 651 HG2 GLU 76 2HG GLU 76 9.549 9.520 4.916 652 HG3 GLU 76 3HG GLU 76 9.045 9.810 3.251 653 H GLY 77 H GLY 77 6.224 11.024 7.651 654 HA2 GLY 77 2HA GLY 77 4.345 12.025 8.533 655 HA3 GLY 77 3HA GLY 77 4.842 13.552 7.815 656 H LEU 78 H LEU 78 4.817 10.940 5.635 657 HA LEU 78 HA LEU 78 2.572 11.972 4.136 658 HB2 LEU 78 2HB LEU 78 4.266 9.480 3.652 659 HB3 LEU 78 3HB LEU 78 3.118 10.171 2.514 660 HG LEU 78 HG LEU 78 5.721 11.447 3.433 661 HD11 LEU 78 1HD1 LEU 78 6.467 11.149 1.112 662 HD12 LEU 78 2HD1 LEU 78 4.957 10.319 0.723 663 HD13 LEU 78 3HD1 LEU 78 6.089 9.604 1.874 664 HD21 LEU 78 1HD2 LEU 78 5.255 13.224 1.783 665 HD22 LEU 78 2HD2 LEU 78 4.080 13.198 3.091 666 HD23 LEU 78 3HD2 LEU 78 3.652 12.542 1.510 667 H ARG 79 H ARG 79 0.567 11.052 3.952 668 HA ARG 79 HA ARG 79 -0.497 9.319 5.898 669 HB2 ARG 79 2HB ARG 79 -1.812 10.956 4.548 670 HB3 ARG 79 3HB ARG 79 -1.550 9.983 3.107 671 HG2 ARG 79 2HG ARG 79 -2.886 8.158 4.073 672 HG3 ARG 79 3HG ARG 79 -3.086 9.075 5.568 673 HD2 ARG 79 2HD ARG 79 -4.115 9.920 2.832 674 HD3 ARG 79 3HD ARG 79 -5.093 9.228 4.131 675 HE ARG 79 HE ARG 79 -3.908 11.402 5.286 676 HH11 ARG 79 1HH1 ARG 79 -5.937 11.020 2.437 677 HH12 ARG 79 2HH1 ARG 79 -6.612 12.606 2.561 678 HH21 ARG 79 1HH2 ARG 79 -4.788 13.467 5.444 679 HH22 ARG 79 2HH2 ARG 79 -5.956 14.012 4.280 680 H VAL 80 H VAL 80 -0.762 7.084 5.902 681 HA VAL 80 HA VAL 80 0.396 5.555 3.639 682 HB VAL 80 HB VAL 80 0.367 4.525 6.507 683 HG11 VAL 80 1HG1 VAL 80 0.658 2.841 4.750 684 HG12 VAL 80 2HG1 VAL 80 2.141 3.013 5.685 685 HG13 VAL 80 3HG1 VAL 80 2.026 3.736 4.081 686 HG21 VAL 80 1HG2 VAL 80 2.669 6.053 5.238 687 HG22 VAL 80 2HG2 VAL 80 2.710 5.220 6.795 688 HG23 VAL 80 3HG2 VAL 80 1.658 6.618 6.572 689 H LEU 81 H LEU 81 -0.931 4.149 2.678 690 HA LEU 81 HA LEU 81 -3.352 3.125 4.066 691 HB2 LEU 81 2HB LEU 81 -2.980 3.892 1.134 692 HB3 LEU 81 3HB LEU 81 -4.304 2.887 1.685 693 HG LEU 81 HG LEU 81 -5.227 5.041 1.411 694 HD11 LEU 81 1HD1 LEU 81 -5.949 5.708 3.642 695 HD12 LEU 81 2HD1 LEU 81 -4.671 4.726 4.360 696 HD13 LEU 81 3HD1 LEU 81 -5.968 3.958 3.441 697 HD21 LEU 81 1HD2 LEU 81 -4.350 7.107 2.374 698 HD22 LEU 81 2HD2 LEU 81 -3.199 6.368 1.264 699 HD23 LEU 81 3HD2 LEU 81 -2.951 6.234 3.007 700 H VAL 82 H VAL 82 -2.957 0.974 4.536 701 HA VAL 82 HA VAL 82 -1.311 -0.584 2.605 702 HB VAL 82 HB VAL 82 -1.559 -1.154 5.594 703 HG11 VAL 82 1HG1 VAL 82 -1.075 -3.166 4.282 704 HG12 VAL 82 2HG1 VAL 82 0.324 -2.708 5.252 705 HG13 VAL 82 3HG1 VAL 82 0.304 -2.363 3.522 706 HG21 VAL 82 1HG2 VAL 82 0.740 -0.274 5.830 707 HG22 VAL 82 2HG2 VAL 82 -0.373 0.972 5.268 708 HG23 VAL 82 3HG2 VAL 82 0.733 0.203 4.129 709 H ILE 83 H ILE 83 -2.515 -1.972 1.477 710 HA ILE 83 HA ILE 83 -4.732 -3.435 2.799 711 HB ILE 83 HB ILE 83 -4.332 -2.753 -0.151 712 HG12 ILE 83 2HG1 ILE 83 -6.517 -2.113 1.881 713 HG13 ILE 83 3HG1 ILE 83 -5.423 -0.980 1.102 714 HG21 ILE 83 1HG2 ILE 83 -6.401 -4.669 0.991 715 HG22 ILE 83 2HG2 ILE 83 -5.037 -5.116 -0.034 716 HG23 ILE 83 3HG2 ILE 83 -6.329 -4.108 -0.682 717 HD11 ILE 83 1HD1 ILE 83 -7.642 -0.809 0.194 718 HD12 ILE 83 2HD1 ILE 83 -7.641 -2.516 -0.245 719 HD13 ILE 83 3HD1 ILE 83 -6.531 -1.394 -1.043 720 H MET 84 H MET 84 -4.305 -5.457 3.261 721 HA MET 84 HA MET 84 -2.256 -6.980 1.748 722 HB2 MET 84 2HB MET 84 -2.856 -6.983 4.736 723 HB3 MET 84 3HB MET 84 -1.860 -8.203 3.954 724 HG2 MET 84 2HG MET 84 -0.158 -6.622 3.424 725 HG3 MET 84 3HG MET 84 -1.202 -5.253 3.792 726 HE1 MET 84 1HE MET 84 -1.641 -4.307 6.204 727 HE2 MET 84 2HE MET 84 -1.319 -5.225 7.676 728 HE3 MET 84 3HE MET 84 -2.526 -5.799 6.526 729 H VAL 85 H VAL 85 -3.114 -8.657 0.694 730 HA VAL 85 HA VAL 85 -5.664 -9.876 1.581 731 HB VAL 85 HB VAL 85 -5.096 -8.824 -1.248 732 HG11 VAL 85 1HG1 VAL 85 -7.508 -10.396 -0.265 733 HG12 VAL 85 2HG1 VAL 85 -6.281 -10.960 -1.400 734 HG13 VAL 85 3HG1 VAL 85 -7.361 -9.642 -1.856 735 HG21 VAL 85 1HG2 VAL 85 -7.240 -7.967 0.738 736 HG22 VAL 85 2HG2 VAL 85 -7.043 -7.343 -0.902 737 HG23 VAL 85 3HG2 VAL 85 -5.799 -7.047 0.310 738 H ASP 86 H ASP 86 -5.093 -11.937 1.919 739 HA ASP 86 HA ASP 86 -4.842 -13.730 -0.159 740 HB2 ASP 86 2HB ASP 86 -2.589 -14.747 0.141 741 HB3 ASP 86 3HB ASP 86 -2.477 -13.091 -0.436 742 H GLN 87 H GLN 87 -3.751 -15.969 1.083 743 HA GLN 87 HA GLN 87 -6.096 -16.593 2.656 744 HB2 GLN 87 2HB GLN 87 -3.862 -18.401 1.637 745 HB3 GLN 87 3HB GLN 87 -5.340 -18.963 2.410 746 HG2 GLN 87 2HG GLN 87 -5.643 -19.268 0.066 747 HG3 GLN 87 3HG GLN 87 -6.640 -17.886 0.516 748 HE21 GLN 87 1HE2 GLN 87 -6.676 -16.872 -1.449 749 HE22 GLN 87 2HE2 GLN 87 -5.284 -16.239 -2.247 750 H ASP 88 H ASP 88 -2.772 -15.923 3.379 751 HA ASP 88 HA ASP 88 -2.801 -17.332 5.961 752 HB2 ASP 88 2HB ASP 88 -0.606 -15.665 4.631 753 HB3 ASP 88 3HB ASP 88 -0.426 -16.538 6.152 754 H GLN 89 H GLN 89 -4.759 -15.747 6.102 755 HA GLN 89 HA GLN 89 -4.637 -13.026 6.443 756 HB2 GLN 89 2HB GLN 89 -6.679 -14.519 6.168 757 HB3 GLN 89 3HB GLN 89 -6.557 -14.909 7.878 758 HG2 GLN 89 2HG GLN 89 -8.250 -13.212 7.551 759 HG3 GLN 89 3HG GLN 89 -6.885 -12.501 8.415 760 HE21 GLN 89 1HE2 GLN 89 -8.464 -12.738 5.287 761 HE22 GLN 89 2HE2 GLN 89 -7.784 -11.297 4.638 762 H GLU 90 H GLU 90 -3.810 -15.522 8.744 763 HA GLU 90 HA GLU 90 -3.956 -14.243 11.194 764 HB2 GLU 90 2HB GLU 90 -1.832 -16.198 10.231 765 HB3 GLU 90 3HB GLU 90 -2.107 -15.768 11.917 766 HG2 GLU 90 2HG GLU 90 -4.376 -16.731 11.798 767 HG3 GLU 90 3HG GLU 90 -4.103 -17.152 10.107 768 H GLU 91 H GLU 91 -1.143 -14.322 8.983 769 HA GLU 91 HA GLU 91 0.504 -12.571 10.513 770 HB2 GLU 91 2HB GLU 91 1.464 -14.175 8.906 771 HB3 GLU 91 3HB GLU 91 0.666 -13.350 7.567 772 HG2 GLU 91 2HG GLU 91 2.001 -11.319 8.012 773 HG3 GLU 91 3HG GLU 91 2.791 -12.126 9.363 774 H LEU 92 H LEU 92 -1.749 -12.125 7.843 775 HA LEU 92 HA LEU 92 -1.163 -9.459 7.161 776 HB2 LEU 92 2HB LEU 92 -3.648 -11.168 6.865 777 HB3 LEU 92 3HB LEU 92 -3.659 -9.488 6.362 778 HG LEU 92 HG LEU 92 -2.001 -9.909 4.632 779 HD11 LEU 92 1HD1 LEU 92 -1.062 -12.106 4.136 780 HD12 LEU 92 2HD1 LEU 92 -1.818 -12.769 5.587 781 HD13 LEU 92 3HD1 LEU 92 -0.565 -11.537 5.731 782 HD21 LEU 92 1HD2 LEU 92 -4.323 -10.347 4.042 783 HD22 LEU 92 2HD2 LEU 92 -4.175 -12.023 4.577 784 HD23 LEU 92 3HD2 LEU 92 -3.259 -11.456 3.178 785 H GLU 93 H GLU 93 -3.408 -10.829 9.542 786 HA GLU 93 HA GLU 93 -4.458 -8.324 10.480 787 HB2 GLU 93 2HB GLU 93 -4.638 -11.134 11.624 788 HB3 GLU 93 3HB GLU 93 -5.482 -9.740 12.295 789 HG2 GLU 93 2HG GLU 93 -6.727 -9.468 10.163 790 HG3 GLU 93 3HG GLU 93 -5.883 -10.872 9.506 791 H ARG 94 H ARG 94 -1.760 -10.366 11.339 792 HA ARG 94 HA ARG 94 -1.083 -9.254 13.852 793 HB2 ARG 94 2HB ARG 94 -0.048 -11.325 13.070 794 HB3 ARG 94 3HB ARG 94 0.657 -10.505 11.682 795 HG2 ARG 94 2HG ARG 94 2.379 -10.922 13.344 796 HG3 ARG 94 3HG ARG 94 2.105 -9.186 13.209 797 HD2 ARG 94 2HD ARG 94 0.716 -9.256 15.263 798 HD3 ARG 94 3HD ARG 94 1.019 -10.992 15.403 799 HE ARG 94 HE ARG 94 3.147 -8.929 15.538 800 HH11 ARG 94 1HH1 ARG 94 1.760 -11.938 16.697 801 HH12 ARG 94 2HH1 ARG 94 3.016 -12.208 17.863 802 HH21 ARG 94 1HH2 ARG 94 4.770 -9.272 17.073 803 HH22 ARG 94 2HH2 ARG 94 4.731 -10.687 18.078 804 H ILE 95 H ILE 95 -0.089 -8.410 10.544 805 HA ILE 95 HA ILE 95 1.499 -6.131 11.208 806 HB ILE 95 HB ILE 95 0.109 -6.660 8.532 807 HG12 ILE 95 2HG1 ILE 95 2.865 -7.666 9.377 808 HG13 ILE 95 3HG1 ILE 95 1.431 -8.672 9.291 809 HG21 ILE 95 1HG2 ILE 95 2.650 -5.115 9.192 810 HG22 ILE 95 2HG2 ILE 95 1.091 -4.411 8.758 811 HG23 ILE 95 3HG2 ILE 95 1.986 -5.363 7.576 812 HD11 ILE 95 1HD1 ILE 95 2.739 -7.277 6.957 813 HD12 ILE 95 2HD1 ILE 95 1.306 -8.308 6.882 814 HD13 ILE 95 3HD1 ILE 95 2.859 -8.990 7.360 815 H TYR 96 H TYR 96 -1.870 -6.651 10.288 816 HA TYR 96 HA TYR 96 -2.780 -4.060 9.888 817 HB2 TYR 96 2HB TYR 96 -4.213 -5.836 9.262 818 HB3 TYR 96 3HB TYR 96 -4.097 -6.616 10.826 819 HD1 TYR 96 HD1 TYR 96 -5.682 -3.794 8.996 820 HD2 TYR 96 HD2 TYR 96 -5.709 -6.134 12.569 821 HE1 TYR 96 HE1 TYR 96 -7.865 -2.843 9.613 822 HE2 TYR 96 HE2 TYR 96 -7.883 -5.172 13.194 823 HH TYR 96 HH TYR 96 -9.823 -3.428 11.058 824 H GLU 97 H GLU 97 -2.927 -5.951 12.954 825 HA GLU 97 HA GLU 97 -4.107 -3.897 14.499 826 HB2 GLU 97 2HB GLU 97 -4.162 -6.286 15.162 827 HB3 GLU 97 3HB GLU 97 -2.426 -6.258 15.461 828 HG2 GLU 97 2HG GLU 97 -2.714 -4.687 17.296 829 HG3 GLU 97 3HG GLU 97 -4.432 -4.524 16.948 830 H GLN 98 H GLN 98 -0.744 -4.815 13.941 831 HA GLN 98 HA GLN 98 0.616 -3.121 15.687 832 HB2 GLN 98 2HB GLN 98 1.745 -4.870 14.392 833 HB3 GLN 98 3HB GLN 98 1.352 -4.062 12.882 834 HG2 GLN 98 2HG GLN 98 3.695 -3.722 13.393 835 HG3 GLN 98 3HG GLN 98 2.846 -2.181 13.508 836 HE21 GLN 98 1HE2 GLN 98 4.325 -1.213 14.873 837 HE22 GLN 98 2HE2 GLN 98 4.587 -1.709 16.506 838 H LEU 99 H LEU 99 -0.170 -2.481 12.254 839 HA LEU 99 HA LEU 99 0.729 0.215 12.236 840 HB2 LEU 99 2HB LEU 99 -1.152 -1.152 10.274 841 HB3 LEU 99 3HB LEU 99 -0.222 0.309 9.977 842 HG LEU 99 HG LEU 99 0.865 -2.514 10.284 843 HD11 LEU 99 1HD1 LEU 99 -0.128 -2.084 8.092 844 HD12 LEU 99 2HD1 LEU 99 1.618 -2.266 7.965 845 HD13 LEU 99 3HD1 LEU 99 0.894 -0.658 7.888 846 HD21 LEU 99 1HD2 LEU 99 2.402 -1.004 11.370 847 HD22 LEU 99 2HD2 LEU 99 2.432 0.042 9.948 848 HD23 LEU 99 3HD2 LEU 99 3.091 -1.594 9.860 849 H LYS 100 H LYS 100 -2.323 -1.266 12.979 850 HA LYS 100 HA LYS 100 -4.077 0.942 12.668 851 HB2 LYS 100 2HB LYS 100 -4.778 -1.445 12.834 852 HB3 LYS 100 3HB LYS 100 -4.279 -1.489 14.512 853 HG2 LYS 100 2HG LYS 100 -6.418 0.458 13.635 854 HG3 LYS 100 3HG LYS 100 -6.824 -1.237 13.871 855 HD2 LYS 100 2HD LYS 100 -5.645 0.608 15.980 856 HD3 LYS 100 3HD LYS 100 -7.333 0.110 15.878 857 HE2 LYS 100 2HE LYS 100 -4.965 -1.731 16.366 858 HE3 LYS 100 3HE LYS 100 -6.122 -1.198 17.579 859 HZ1 LYS 100 1HZ LYS 100 -6.658 -3.399 16.842 860 HZ2 LYS 100 2HZ LYS 100 -6.718 -2.909 15.226 861 HZ3 LYS 100 3HZ LYS 100 -7.868 -2.339 16.321 862 H LYS 101 H LYS 101 -2.156 -0.270 15.404 863 HA LYS 101 HA LYS 101 -2.890 1.701 17.328 864 HB2 LYS 101 2HB LYS 101 -0.366 0.004 17.138 865 HB3 LYS 101 3HB LYS 101 -0.833 0.945 18.550 866 HG2 LYS 101 2HG LYS 101 -2.823 -0.462 18.863 867 HG3 LYS 101 3HG LYS 101 -2.423 -1.377 17.406 868 HD2 LYS 101 2HD LYS 101 -0.299 -2.132 18.485 869 HD3 LYS 101 3HD LYS 101 -0.744 -1.248 19.949 870 HE2 LYS 101 2HE LYS 101 -2.764 -2.679 20.170 871 HE3 LYS 101 3HE LYS 101 -2.271 -3.575 18.731 872 HZ1 LYS 101 1HZ LYS 101 -0.760 -3.400 21.281 873 HZ2 LYS 101 2HZ LYS 101 -0.248 -4.230 19.898 874 HZ3 LYS 101 3HZ LYS 101 -1.635 -4.736 20.724 875 H ASP 102 H ASP 102 -0.390 1.558 14.834 876 HA ASP 102 HA ASP 102 1.075 3.895 15.542 877 HB2 ASP 102 2HB ASP 102 0.797 2.339 12.947 878 HB3 ASP 102 3HB ASP 102 1.790 3.784 13.034 879 H GLY 103 H GLY 103 -2.031 3.535 14.074 880 HA2 GLY 103 2HA GLY 103 -3.593 5.261 13.713 881 HA3 GLY 103 3HA GLY 103 -2.289 6.442 13.690 882 H VAL 104 H VAL 104 -2.307 3.465 11.864 883 HA VAL 104 HA VAL 104 -2.309 4.973 9.317 884 HB VAL 104 HB VAL 104 -1.278 2.156 9.938 885 HG11 VAL 104 1HG1 VAL 104 -0.233 2.228 7.692 886 HG12 VAL 104 2HG1 VAL 104 -1.027 3.774 7.379 887 HG13 VAL 104 3HG1 VAL 104 -1.994 2.319 7.605 888 HG21 VAL 104 1HG2 VAL 104 0.311 4.704 9.463 889 HG22 VAL 104 2HG2 VAL 104 0.983 3.093 9.735 890 HG23 VAL 104 3HG2 VAL 104 0.088 3.901 11.020 891 H ASP 105 H ASP 105 -3.891 4.522 7.787 892 HA ASP 105 HA ASP 105 -6.167 2.912 8.608 893 HB2 ASP 105 2HB ASP 105 -6.431 5.094 7.385 894 HB3 ASP 105 3HB ASP 105 -5.696 4.361 5.970 895 H VAL 106 H VAL 106 -5.921 0.812 8.480 896 HA VAL 106 HA VAL 106 -4.612 -0.421 6.132 897 HB VAL 106 HB VAL 106 -3.736 -2.201 7.714 898 HG11 VAL 106 1HG1 VAL 106 -1.799 -0.934 8.385 899 HG12 VAL 106 2HG1 VAL 106 -2.692 0.585 8.333 900 HG13 VAL 106 3HG1 VAL 106 -2.353 -0.288 6.844 901 HG21 VAL 106 1HG2 VAL 106 -5.245 -1.772 9.643 902 HG22 VAL 106 2HG2 VAL 106 -4.479 -0.206 9.900 903 HG23 VAL 106 3HG2 VAL 106 -3.549 -1.692 10.118 904 H ARG 107 H ARG 107 -5.420 -2.319 5.394 905 HA ARG 107 HA ARG 107 -8.097 -3.162 6.313 906 HB2 ARG 107 2HB ARG 107 -7.410 -2.565 3.386 907 HB3 ARG 107 3HB ARG 107 -8.990 -2.974 4.048 908 HG2 ARG 107 2HG ARG 107 -9.067 -0.839 5.245 909 HG3 ARG 107 3HG ARG 107 -7.450 -0.444 4.667 910 HD2 ARG 107 2HD ARG 107 -8.303 -0.392 2.343 911 HD3 ARG 107 3HD ARG 107 -9.927 -0.772 2.938 912 HE ARG 107 HE ARG 107 -8.583 1.595 4.020 913 HH11 ARG 107 1HH1 ARG 107 -11.038 0.365 1.830 914 HH12 ARG 107 2HH1 ARG 107 -11.849 1.885 1.684 915 HH21 ARG 107 1HH2 ARG 107 -9.653 3.552 3.874 916 HH22 ARG 107 2HH2 ARG 107 -11.057 3.716 2.858 917 H VAL 108 H VAL 108 -8.143 -5.341 6.470 918 HA VAL 108 HA VAL 108 -6.450 -6.957 4.668 919 HB VAL 108 HB VAL 108 -6.133 -8.630 6.514 920 HG11 VAL 108 1HG1 VAL 108 -4.343 -7.068 5.942 921 HG12 VAL 108 2HG1 VAL 108 -4.337 -7.390 7.675 922 HG13 VAL 108 3HG1 VAL 108 -4.989 -5.867 7.064 923 HG21 VAL 108 1HG2 VAL 108 -7.249 -6.455 8.337 924 HG22 VAL 108 2HG2 VAL 108 -6.484 -7.951 8.878 925 HG23 VAL 108 3HG2 VAL 108 -8.005 -8.013 7.989 926 H THR 109 H THR 109 -7.434 -8.572 3.691 927 HA THR 109 HA THR 109 -9.774 -9.932 4.558 928 HB THR 109 HB THR 109 -10.943 -7.866 3.818 929 HG1 THR 109 HG1 THR 109 -12.483 -9.025 2.913 930 HG21 THR 109 1HG2 THR 109 -9.757 -8.393 1.063 931 HG22 THR 109 2HG2 THR 109 -9.346 -7.035 2.112 932 HG23 THR 109 3HG2 THR 109 -10.974 -7.173 1.446 933 H ASP 110 H ASP 110 -10.071 -11.815 3.301 934 HA ASP 110 HA ASP 110 -8.000 -12.304 1.237 935 HB2 ASP 110 2HB ASP 110 -8.448 -14.736 1.670 936 HB3 ASP 110 3HB ASP 110 -7.839 -13.892 3.081 937 H ASN 111 H ASN 111 -9.027 -11.334 -0.453 938 HA ASN 111 HA ASN 111 -11.271 -12.423 -1.783 939 HB2 ASN 111 2HB ASN 111 -12.347 -11.429 0.347 940 HB3 ASN 111 3HB ASN 111 -11.902 -9.841 -0.263 941 HD21 ASN 111 1HD2 ASN 111 -14.532 -10.844 0.309 942 HD22 ASN 111 2HD2 ASN 111 -15.427 -10.784 -1.159 943 H GLU 112 H GLU 112 -10.483 -11.991 -3.748 944 HA GLU 112 HA GLU 112 -8.788 -9.769 -4.382 945 HB2 GLU 112 2HB GLU 112 -8.560 -11.953 -5.490 946 HB3 GLU 112 3HB GLU 112 -10.183 -11.814 -6.158 947 HG2 GLU 112 2HG GLU 112 -9.442 -9.853 -7.497 948 HG3 GLU 112 3HG GLU 112 -7.812 -10.048 -6.851 949 H ASP 113 H ASP 113 -12.208 -10.532 -4.863 950 HA ASP 113 HA ASP 113 -12.894 -8.460 -6.666 951 HB2 ASP 113 2HB ASP 113 -14.346 -10.412 -6.384 952 HB3 ASP 113 3HB ASP 113 -14.610 -10.024 -4.688 953 H GLU 114 H GLU 114 -13.371 -8.703 -3.119 954 HA GLU 114 HA GLU 114 -14.422 -6.075 -2.821 955 HB2 GLU 114 2HB GLU 114 -14.877 -7.949 -1.236 956 HB3 GLU 114 3HB GLU 114 -13.207 -7.876 -0.687 957 HG2 GLU 114 2HG GLU 114 -14.778 -6.769 0.875 958 HG3 GLU 114 3HG GLU 114 -13.556 -5.660 0.253 959 H ALA 115 H ALA 115 -11.169 -7.386 -2.707 960 HA ALA 115 HA ALA 115 -9.733 -5.312 -1.531 961 HB1 ALA 115 1HB ALA 115 -8.876 -7.058 -3.864 962 HB2 ALA 115 2HB ALA 115 -8.730 -7.463 -2.153 963 HB3 ALA 115 3HB ALA 115 -7.797 -6.122 -2.820 964 H LYS 116 H LYS 116 -10.965 -5.613 -4.830 965 HA LYS 116 HA LYS 116 -9.766 -3.427 -6.108 966 HB2 LYS 116 2HB LYS 116 -12.527 -4.649 -6.515 967 HB3 LYS 116 3HB LYS 116 -11.759 -3.546 -7.651 968 HG2 LYS 116 2HG LYS 116 -10.076 -5.153 -8.223 969 HG3 LYS 116 3HG LYS 116 -10.527 -6.209 -6.881 970 HD2 LYS 116 2HD LYS 116 -12.638 -6.772 -7.934 971 HD3 LYS 116 3HD LYS 116 -12.399 -5.556 -9.194 972 HE2 LYS 116 2HE LYS 116 -10.607 -7.976 -8.804 973 HE3 LYS 116 3HE LYS 116 -11.948 -7.903 -9.949 974 HZ1 LYS 116 1HZ LYS 116 -9.909 -7.405 -11.067 975 HZ2 LYS 116 2HZ LYS 116 -9.525 -6.193 -9.959 976 HZ3 LYS 116 3HZ LYS 116 -10.838 -5.995 -11.006 977 H LYS 117 H LYS 117 -12.754 -3.590 -4.203 978 HA LYS 117 HA LYS 117 -13.728 -0.959 -4.747 979 HB2 LYS 117 2HB LYS 117 -14.331 -2.938 -2.502 980 HB3 LYS 117 3HB LYS 117 -15.149 -1.390 -2.638 981 HG2 LYS 117 2HG LYS 117 -16.543 -3.206 -3.463 982 HG3 LYS 117 3HG LYS 117 -16.159 -2.084 -4.768 983 HD2 LYS 117 2HD LYS 117 -14.633 -3.626 -5.773 984 HD3 LYS 117 3HD LYS 117 -14.588 -4.643 -4.332 985 HE2 LYS 117 2HE LYS 117 -17.071 -4.260 -6.033 986 HE3 LYS 117 3HE LYS 117 -15.924 -5.586 -6.248 987 HZ1 LYS 117 1HZ LYS 117 -16.394 -6.371 -4.059 988 HZ2 LYS 117 2HZ LYS 117 -17.862 -6.167 -4.867 989 HZ3 LYS 117 3HZ LYS 117 -17.370 -5.033 -3.712 990 H ARG 118 H ARG 118 -12.068 -2.442 -1.995 991 HA ARG 118 HA ARG 118 -11.844 -0.147 -0.362 992 HB2 ARG 118 2HB ARG 118 -10.228 -2.733 -0.363 993 HB3 ARG 118 3HB ARG 118 -10.236 -1.562 0.949 994 HG2 ARG 118 2HG ARG 118 -12.617 -3.204 0.000 995 HG3 ARG 118 3HG ARG 118 -11.688 -3.470 1.477 996 HD2 ARG 118 2HD ARG 118 -12.450 -1.355 2.401 997 HD3 ARG 118 3HD ARG 118 -13.238 -0.931 0.882 998 HE ARG 118 HE ARG 118 -14.242 -3.358 2.073 999 HH11 ARG 118 1HH1 ARG 118 -14.594 0.149 1.929 1000 HH12 ARG 118 2HH1 ARG 118 -16.231 0.125 2.509 1001 HH21 ARG 118 1HH2 ARG 118 -16.381 -3.357 2.839 1002 HH22 ARG 118 2HH2 ARG 118 -17.242 -1.859 3.022 1003 H LEU 119 H LEU 119 -9.826 -1.467 -2.905 1004 HA LEU 119 HA LEU 119 -7.467 0.071 -2.449 1005 HB2 LEU 119 2HB LEU 119 -7.885 -2.104 -3.935 1006 HB3 LEU 119 3HB LEU 119 -8.246 -0.958 -5.205 1007 HG LEU 119 HG LEU 119 -5.939 -1.774 -5.387 1008 HD11 LEU 119 1HD1 LEU 119 -6.329 0.528 -6.120 1009 HD12 LEU 119 2HD1 LEU 119 -4.693 0.308 -5.508 1010 HD13 LEU 119 3HD1 LEU 119 -5.904 1.121 -4.511 1011 HD21 LEU 119 1HD2 LEU 119 -5.455 -0.637 -2.614 1012 HD22 LEU 119 2HD2 LEU 119 -4.242 -1.362 -3.673 1013 HD23 LEU 119 3HD2 LEU 119 -5.551 -2.349 -3.035 1014 H LYS 120 H LYS 120 -10.274 0.418 -4.611 1015 HA LYS 120 HA LYS 120 -9.521 2.752 -5.962 1016 HB2 LYS 120 2HB LYS 120 -11.309 1.309 -6.765 1017 HB3 LYS 120 3HB LYS 120 -12.289 1.650 -5.344 1018 HG2 LYS 120 2HG LYS 120 -12.621 3.951 -6.040 1019 HG3 LYS 120 3HG LYS 120 -11.478 3.766 -7.372 1020 HD2 LYS 120 2HD LYS 120 -14.122 2.279 -7.113 1021 HD3 LYS 120 3HD LYS 120 -13.849 3.696 -8.131 1022 HE2 LYS 120 2HE LYS 120 -12.438 1.019 -8.420 1023 HE3 LYS 120 3HE LYS 120 -13.752 1.603 -9.440 1024 HZ1 LYS 120 1HZ LYS 120 -12.381 3.340 -10.263 1025 HZ2 LYS 120 2HZ LYS 120 -11.504 1.905 -10.400 1026 HZ3 LYS 120 3HZ LYS 120 -11.146 2.998 -9.164 1027 H GLU 121 H GLU 121 -11.257 2.304 -2.913 1028 HA GLU 121 HA GLU 121 -11.959 4.966 -2.375 1029 HB2 GLU 121 2HB GLU 121 -11.276 2.732 -0.426 1030 HB3 GLU 121 3HB GLU 121 -12.010 4.267 0.036 1031 HG2 GLU 121 2HG GLU 121 -13.956 3.740 -1.446 1032 HG3 GLU 121 3HG GLU 121 -13.235 2.168 -1.781 1033 H LEU 122 H LEU 122 -8.884 3.251 -1.868 1034 HA LEU 122 HA LEU 122 -7.606 5.130 -0.193 1035 HB2 LEU 122 2HB LEU 122 -6.194 3.425 -2.282 1036 HB3 LEU 122 3HB LEU 122 -5.487 4.130 -0.836 1037 HG LEU 122 HG LEU 122 -7.409 1.790 -1.005 1038 HD11 LEU 122 1HD1 LEU 122 -5.105 1.233 -1.493 1039 HD12 LEU 122 2HD1 LEU 122 -5.553 0.564 0.070 1040 HD13 LEU 122 3HD1 LEU 122 -4.557 2.013 -0.008 1041 HD21 LEU 122 1HD2 LEU 122 -7.341 1.638 1.454 1042 HD22 LEU 122 2HD2 LEU 122 -8.122 3.121 0.914 1043 HD23 LEU 122 3HD2 LEU 122 -6.471 3.172 1.530 1044 H LEU 123 H LEU 123 -7.726 4.814 -3.739 1045 HA LEU 123 HA LEU 123 -6.074 6.944 -4.479 1046 HB2 LEU 123 2HB LEU 123 -8.504 5.771 -5.882 1047 HB3 LEU 123 3HB LEU 123 -7.588 7.089 -6.584 1048 HG LEU 123 HG LEU 123 -6.801 5.147 -7.675 1049 HD11 LEU 123 1HD1 LEU 123 -4.742 5.715 -5.530 1050 HD12 LEU 123 2HD1 LEU 123 -4.985 6.635 -7.016 1051 HD13 LEU 123 3HD1 LEU 123 -4.448 4.961 -7.101 1052 HD21 LEU 123 1HD2 LEU 123 -7.729 3.442 -6.197 1053 HD22 LEU 123 2HD2 LEU 123 -6.455 3.745 -5.013 1054 HD23 LEU 123 3HD2 LEU 123 -6.052 3.092 -6.605 1055 H GLU 124 H GLU 124 -9.544 6.914 -3.695 1056 HA GLU 124 HA GLU 124 -10.111 9.623 -4.304 1057 HB2 GLU 124 2HB GLU 124 -11.529 7.774 -2.335 1058 HB3 GLU 124 3HB GLU 124 -12.179 9.279 -2.981 1059 HG2 GLU 124 2HG GLU 124 -12.104 8.286 -5.277 1060 HG3 GLU 124 3HG GLU 124 -11.564 6.764 -4.567 1061 H LYS 125 H LYS 125 -9.130 7.986 -1.316 1062 HA LYS 125 HA LYS 125 -9.440 10.110 0.510 1063 HB2 LYS 125 2HB LYS 125 -7.564 7.706 0.596 1064 HB3 LYS 125 3HB LYS 125 -7.856 8.777 1.964 1065 HG2 LYS 125 2HG LYS 125 -10.174 8.082 2.110 1066 HG3 LYS 125 3HG LYS 125 -10.046 7.184 0.597 1067 HD2 LYS 125 2HD LYS 125 -9.977 5.597 2.425 1068 HD3 LYS 125 3HD LYS 125 -8.377 5.658 1.684 1069 HE2 LYS 125 2HE LYS 125 -8.167 5.597 4.106 1070 HE3 LYS 125 3HE LYS 125 -7.623 7.168 3.514 1071 HZ1 LYS 125 1HZ LYS 125 -8.999 7.414 5.457 1072 HZ2 LYS 125 2HZ LYS 125 -10.262 6.565 4.726 1073 HZ3 LYS 125 3HZ LYS 125 -9.797 8.071 4.122 1074 H VAL 126 H VAL 126 -6.680 9.140 -1.504 1075 HA VAL 126 HA VAL 126 -4.808 11.019 -0.413 1076 HB VAL 126 HB VAL 126 -4.724 9.693 -3.168 1077 HG11 VAL 126 1HG1 VAL 126 -3.191 11.579 -3.015 1078 HG12 VAL 126 2HG1 VAL 126 -2.265 10.084 -2.984 1079 HG13 VAL 126 3HG1 VAL 126 -2.532 10.979 -1.492 1080 HG21 VAL 126 1HG2 VAL 126 -3.302 7.955 -2.151 1081 HG22 VAL 126 2HG2 VAL 126 -4.905 7.974 -1.420 1082 HG23 VAL 126 3HG2 VAL 126 -3.540 8.676 -0.558 1083 H LEU 127 H LEU 127 -6.753 10.933 -3.395 1084 HA LEU 127 HA LEU 127 -5.841 13.409 -4.454 1085 HB2 LEU 127 2HB LEU 127 -8.320 11.795 -5.150 1086 HB3 LEU 127 3HB LEU 127 -7.655 13.096 -6.126 1087 HG LEU 127 HG LEU 127 -6.301 10.421 -5.559 1088 HD11 LEU 127 1HD1 LEU 127 -7.535 11.442 -8.133 1089 HD12 LEU 127 2HD1 LEU 127 -8.170 10.164 -7.097 1090 HD13 LEU 127 3HD1 LEU 127 -6.644 9.928 -7.944 1091 HD21 LEU 127 1HD2 LEU 127 -5.310 12.704 -7.291 1092 HD22 LEU 127 2HD2 LEU 127 -4.569 11.105 -7.169 1093 HD23 LEU 127 3HD2 LEU 127 -4.611 12.164 -5.762 1094 H GLU 128 H GLU 128 -8.298 12.590 -2.141 1095 HA GLU 128 HA GLU 128 -9.758 15.033 -2.127 1096 HB2 GLU 128 2HB GLU 128 -9.327 12.798 -0.120 1097 HB3 GLU 128 3HB GLU 128 -10.034 14.306 0.444 1098 HG2 GLU 128 2HG GLU 128 -11.166 12.637 -1.808 1099 HG3 GLU 128 3HG GLU 128 -11.703 12.553 -0.133 1100 H HIS 129 H HIS 129 -6.916 13.899 -0.267 1101 HA HIS 129 HA HIS 129 -5.471 14.843 1.160 1102 HB2 HIS 129 2HB HIS 129 -4.909 16.630 -0.357 1103 HB3 HIS 129 3HB HIS 129 -6.411 17.476 -0.034 1104 HD1 HIS 129 HD1 HIS 129 -5.876 19.566 1.160 1105 HD2 HIS 129 HD2 HIS 129 -3.478 16.441 2.469 1106 HE1 HIS 129 HE1 HIS 129 -4.485 20.520 3.009 1107 HE2 HIS 129 HE2 HIS 129 -3.216 18.560 3.923 1108 H HIS 130 H HIS 130 -8.678 16.397 1.215 1109 HA HIS 130 HA HIS 130 -9.056 16.989 3.842 1110 HB2 HIS 130 2HB HIS 130 -11.071 15.523 2.097 1111 HB3 HIS 130 3HB HIS 130 -11.438 16.491 3.517 1112 HD1 HIS 130 HD1 HIS 130 -11.133 19.135 3.224 1113 HD2 HIS 130 HD2 HIS 130 -10.988 16.909 -0.283 1114 HE1 HIS 130 HE1 HIS 130 -11.481 20.781 1.355 1115 HE2 HIS 130 HE2 HIS 130 -11.374 19.417 -0.749 1116 H HIS 131 H HIS 131 -8.399 15.774 5.525 1117 HA HIS 131 HA HIS 131 -8.359 12.914 5.634 1118 HB2 HIS 131 2HB HIS 131 -6.755 14.171 6.955 1119 HB3 HIS 131 3HB HIS 131 -8.038 15.069 7.757 1120 HD1 HIS 131 HD1 HIS 131 -8.504 14.273 10.038 1121 HD2 HIS 131 HD2 HIS 131 -7.029 11.225 7.639 1122 HE1 HIS 131 HE1 HIS 131 -8.329 12.271 11.531 1123 HE2 HIS 131 HE2 HIS 131 -7.224 10.521 10.113 1124 H HIS 132 H HIS 132 -10.461 12.334 5.054 1125 HA HIS 132 HA HIS 132 -12.806 13.151 6.476 1126 HB2 HIS 132 2HB HIS 132 -12.222 11.065 4.371 1127 HB3 HIS 132 3HB HIS 132 -13.743 10.988 5.246 1128 HD1 HIS 132 HD1 HIS 132 -15.593 12.332 4.339 1129 HD2 HIS 132 HD2 HIS 132 -11.919 13.671 2.953 1130 HE1 HIS 132 HE1 HIS 132 -16.120 14.078 2.622 1131 HE2 HIS 132 HE2 HIS 132 -13.895 14.670 1.622 1132 H HIS 133 H HIS 133 -12.293 12.789 8.658 1133 HA HIS 133 HA HIS 133 -12.089 10.156 9.799 1134 HB2 HIS 133 2HB HIS 133 -11.503 12.436 10.899 1135 HB3 HIS 133 3HB HIS 133 -13.226 12.647 11.162 1136 HD1 HIS 133 HD1 HIS 133 -11.289 12.604 13.524 1137 HD2 HIS 133 HD2 HIS 133 -13.253 9.212 12.148 1138 HE1 HIS 133 HE1 HIS 133 -11.265 10.984 15.443 1139 HE2 HIS 133 HE2 HIS 133 -12.465 8.951 14.590 1140 H HIS 134 H HIS 134 -14.641 12.301 8.756 1141 HA HIS 134 HA HIS 134 -16.695 10.214 9.176 1142 HB2 HIS 134 2HB HIS 134 -17.322 12.278 10.305 1143 HB3 HIS 134 3HB HIS 134 -17.005 13.231 8.856 1144 HD1 HIS 134 HD1 HIS 134 -19.279 10.317 9.821 1145 HD2 HIS 134 HD2 HIS 134 -19.293 13.729 7.449 1146 HE1 HIS 134 HE1 HIS 134 -21.552 10.394 8.759 1147 HE2 HIS 134 HE2 HIS 134 -21.507 12.408 7.259 Start of MODEL 6 1 H1 MET 1 1H MET 1 2.244 14.823 3.309 2 H2 MET 1 2H MET 1 3.251 16.163 3.478 3 H3 MET 1 3H MET 1 3.844 14.746 2.785 4 HA MET 1 HA MET 1 1.689 16.424 1.668 5 HB2 MET 1 2HB MET 1 4.580 16.124 0.733 6 HB3 MET 1 3HB MET 1 3.335 17.048 -0.099 7 HG2 MET 1 2HG MET 1 3.172 18.541 1.888 8 HG3 MET 1 3HG MET 1 4.503 17.653 2.628 9 HE1 MET 1 1HE MET 1 6.283 17.156 -0.176 10 HE2 MET 1 2HE MET 1 6.972 17.506 1.413 11 HE3 MET 1 3HE MET 1 7.406 18.499 0.021 12 H GLY 2 H GLY 2 4.211 14.140 0.530 13 HA2 GLY 2 2HA GLY 2 2.553 12.762 -1.339 14 HA3 GLY 2 3HA GLY 2 4.140 12.265 -0.773 15 H THR 3 H THR 3 2.352 10.317 -1.242 16 HA THR 3 HA THR 3 1.720 9.297 1.451 17 HB THR 3 HB THR 3 -0.246 9.319 -0.887 18 HG1 THR 3 HG1 THR 3 0.159 11.011 1.206 19 HG21 THR 3 1HG2 THR 3 -0.423 7.201 0.376 20 HG22 THR 3 2HG2 THR 3 -1.825 8.228 0.676 21 HG23 THR 3 3HG2 THR 3 -0.550 8.108 1.887 22 H VAL 4 H VAL 4 2.101 7.158 1.688 23 HA VAL 4 HA VAL 4 2.996 5.566 -0.650 24 HB VAL 4 HB VAL 4 3.849 5.248 2.277 25 HG11 VAL 4 1HG1 VAL 4 5.001 4.027 -0.263 26 HG12 VAL 4 2HG1 VAL 4 4.061 3.179 0.968 27 HG13 VAL 4 3HG1 VAL 4 5.652 3.827 1.367 28 HG21 VAL 4 1HG2 VAL 4 4.617 7.428 1.432 29 HG22 VAL 4 2HG2 VAL 4 5.346 6.652 0.025 30 HG23 VAL 4 3HG2 VAL 4 5.984 6.331 1.639 31 H VAL 5 H VAL 5 1.300 4.312 -1.188 32 HA VAL 5 HA VAL 5 -0.433 3.021 0.805 33 HB VAL 5 HB VAL 5 -0.637 2.983 -2.261 34 HG11 VAL 5 1HG1 VAL 5 -2.702 2.170 -0.171 35 HG12 VAL 5 2HG1 VAL 5 -1.794 1.074 -1.216 36 HG13 VAL 5 3HG1 VAL 5 -2.955 2.200 -1.919 37 HG21 VAL 5 1HG2 VAL 5 -2.406 4.689 -2.043 38 HG22 VAL 5 2HG2 VAL 5 -0.873 5.287 -1.405 39 HG23 VAL 5 3HG2 VAL 5 -2.144 4.761 -0.297 40 H ILE 6 H ILE 6 0.238 1.062 1.527 41 HA ILE 6 HA ILE 6 2.145 -0.563 -0.014 42 HB ILE 6 HB ILE 6 1.454 -0.545 2.969 43 HG12 ILE 6 2HG1 ILE 6 2.837 1.383 2.299 44 HG13 ILE 6 3HG1 ILE 6 3.802 0.266 3.258 45 HG21 ILE 6 1HG2 ILE 6 3.471 -2.309 1.521 46 HG22 ILE 6 2HG2 ILE 6 1.984 -2.842 2.312 47 HG23 ILE 6 3HG2 ILE 6 3.301 -2.172 3.272 48 HD11 ILE 6 1HD1 ILE 6 3.874 0.545 0.249 49 HD12 ILE 6 2HD1 ILE 6 4.847 -0.586 1.196 50 HD13 ILE 6 3HD1 ILE 6 5.071 1.151 1.391 51 H VAL 7 H VAL 7 1.106 -1.993 -1.232 52 HA VAL 7 HA VAL 7 -1.268 -3.453 -0.266 53 HB VAL 7 HB VAL 7 -0.129 -3.289 -3.105 54 HG11 VAL 7 1HG1 VAL 7 -1.371 -5.377 -2.727 55 HG12 VAL 7 2HG1 VAL 7 -2.267 -4.316 -3.812 56 HG13 VAL 7 3HG1 VAL 7 -2.761 -4.467 -2.124 57 HG21 VAL 7 1HG2 VAL 7 -0.984 -1.099 -2.382 58 HG22 VAL 7 2HG2 VAL 7 -2.525 -1.828 -1.922 59 HG23 VAL 7 3HG2 VAL 7 -2.032 -1.799 -3.618 60 H VAL 8 H VAL 8 -0.848 -5.382 0.597 61 HA VAL 8 HA VAL 8 1.623 -6.868 -0.071 62 HB VAL 8 HB VAL 8 -0.004 -6.825 2.521 63 HG11 VAL 8 1HG1 VAL 8 0.878 -9.083 2.193 64 HG12 VAL 8 2HG1 VAL 8 1.769 -8.283 3.488 65 HG13 VAL 8 3HG1 VAL 8 2.496 -8.447 1.887 66 HG21 VAL 8 1HG2 VAL 8 1.366 -4.799 2.171 67 HG22 VAL 8 2HG2 VAL 8 2.807 -5.801 1.976 68 HG23 VAL 8 3HG2 VAL 8 1.964 -5.759 3.526 69 H SER 9 H SER 9 1.188 -8.553 -1.347 70 HA SER 9 HA SER 9 -0.605 -10.620 -0.306 71 HB2 SER 9 2HB SER 9 -1.867 -9.483 -2.180 72 HB3 SER 9 3HB SER 9 -0.555 -9.908 -3.277 73 HG SER 9 HG SER 9 -2.412 -11.579 -1.981 74 H ARG 10 H ARG 10 0.349 -12.673 -0.491 75 HA ARG 10 HA ARG 10 3.083 -12.829 -1.507 76 HB2 ARG 10 2HB ARG 10 3.304 -14.838 -0.350 77 HB3 ARG 10 3HB ARG 10 2.074 -14.048 0.623 78 HG2 ARG 10 2HG ARG 10 0.340 -15.380 -0.679 79 HG3 ARG 10 3HG ARG 10 1.679 -16.272 -1.402 80 HD2 ARG 10 2HD ARG 10 2.409 -16.839 0.995 81 HD3 ARG 10 3HD ARG 10 0.852 -16.201 1.520 82 HE ARG 10 HE ARG 10 1.396 -18.728 0.292 83 HH11 ARG 10 1HH1 ARG 10 -1.179 -16.350 0.703 84 HH12 ARG 10 2HH1 ARG 10 -2.429 -17.530 0.453 85 HH21 ARG 10 1HH2 ARG 10 -0.221 -20.210 -0.021 86 HH22 ARG 10 2HH2 ARG 10 -1.885 -19.718 0.044 87 H ASP 11 H ASP 11 -0.139 -13.681 -2.447 88 HA ASP 11 HA ASP 11 0.522 -15.213 -4.801 89 HB2 ASP 11 2HB ASP 11 -1.657 -15.457 -3.574 90 HB3 ASP 11 3HB ASP 11 -2.082 -13.809 -4.022 91 H GLU 12 H GLU 12 1.526 -14.250 -6.473 92 HA GLU 12 HA GLU 12 1.901 -11.482 -6.799 93 HB2 GLU 12 2HB GLU 12 3.441 -13.275 -7.621 94 HB3 GLU 12 3HB GLU 12 2.280 -13.665 -8.884 95 HG2 GLU 12 2HG GLU 12 2.560 -11.310 -9.753 96 HG3 GLU 12 3HG GLU 12 3.854 -11.087 -8.575 97 H ARG 13 H ARG 13 -0.590 -13.607 -8.020 98 HA ARG 13 HA ARG 13 -1.395 -11.948 -10.227 99 HB2 ARG 13 2HB ARG 13 -2.997 -14.174 -8.917 100 HB3 ARG 13 3HB ARG 13 -3.279 -13.460 -10.503 101 HG2 ARG 13 2HG ARG 13 -0.881 -14.310 -11.079 102 HG3 ARG 13 3HG ARG 13 -1.055 -15.322 -9.641 103 HD2 ARG 13 2HD ARG 13 -1.704 -16.608 -11.591 104 HD3 ARG 13 3HD ARG 13 -3.154 -16.276 -10.636 105 HE ARG 13 HE ARG 13 -2.433 -14.597 -12.970 106 HH11 ARG 13 1HH1 ARG 13 -4.775 -16.684 -11.371 107 HH12 ARG 13 2HH1 ARG 13 -6.034 -16.343 -12.520 108 HH21 ARG 13 1HH2 ARG 13 -4.086 -14.163 -14.462 109 HH22 ARG 13 2HH2 ARG 13 -5.640 -14.911 -14.273 110 H ILE 14 H ILE 14 -2.253 -12.041 -6.804 111 HA ILE 14 HA ILE 14 -4.560 -10.350 -7.097 112 HB ILE 14 HB ILE 14 -2.847 -10.737 -4.585 113 HG12 ILE 14 2HG1 ILE 14 -5.419 -12.148 -5.475 114 HG13 ILE 14 3HG1 ILE 14 -3.822 -12.880 -5.409 115 HG21 ILE 14 1HG2 ILE 14 -5.664 -9.607 -4.935 116 HG22 ILE 14 2HG2 ILE 14 -4.223 -8.683 -4.491 117 HG23 ILE 14 3HG2 ILE 14 -4.865 -9.895 -3.381 118 HD11 ILE 14 1HD1 ILE 14 -5.165 -13.594 -3.547 119 HD12 ILE 14 2HD1 ILE 14 -5.442 -11.925 -3.050 120 HD13 ILE 14 3HD1 ILE 14 -3.818 -12.616 -2.966 121 H LEU 15 H LEU 15 -1.050 -9.748 -6.733 122 HA LEU 15 HA LEU 15 -1.235 -6.921 -6.416 123 HB2 LEU 15 2HB LEU 15 1.067 -8.548 -7.572 124 HB3 LEU 15 3HB LEU 15 1.133 -6.817 -7.315 125 HG LEU 15 HG LEU 15 2.266 -7.593 -5.446 126 HD11 LEU 15 1HD1 LEU 15 -0.568 -7.453 -4.384 127 HD12 LEU 15 2HD1 LEU 15 0.512 -6.086 -4.669 128 HD13 LEU 15 3HD1 LEU 15 0.916 -7.282 -3.441 129 HD21 LEU 15 1HD2 LEU 15 0.326 -9.896 -5.176 130 HD22 LEU 15 2HD2 LEU 15 1.681 -9.565 -4.091 131 HD23 LEU 15 3HD2 LEU 15 1.983 -9.962 -5.781 132 H GLU 16 H GLU 16 -1.307 -8.967 -9.341 133 HA GLU 16 HA GLU 16 -0.927 -6.767 -11.174 134 HB2 GLU 16 2HB GLU 16 -1.261 -8.302 -12.991 135 HB3 GLU 16 3HB GLU 16 -0.325 -9.158 -11.771 136 HG2 GLU 16 2HG GLU 16 -2.300 -10.398 -11.065 137 HG3 GLU 16 3HG GLU 16 -3.323 -9.452 -12.139 138 H GLU 17 H GLU 17 -3.807 -8.399 -9.813 139 HA GLU 17 HA GLU 17 -5.684 -7.113 -11.581 140 HB2 GLU 17 2HB GLU 17 -7.469 -7.917 -10.110 141 HB3 GLU 17 3HB GLU 17 -6.321 -9.208 -10.424 142 HG2 GLU 17 2HG GLU 17 -5.407 -9.056 -8.211 143 HG3 GLU 17 3HG GLU 17 -6.272 -7.555 -7.894 144 H LEU 18 H LEU 18 -4.423 -6.461 -8.337 145 HA LEU 18 HA LEU 18 -6.010 -4.114 -7.882 146 HB2 LEU 18 2HB LEU 18 -3.526 -5.144 -6.462 147 HB3 LEU 18 3HB LEU 18 -4.523 -3.813 -5.895 148 HG LEU 18 HG LEU 18 -5.363 -6.734 -6.129 149 HD11 LEU 18 1HD1 LEU 18 -5.618 -6.653 -3.689 150 HD12 LEU 18 2HD1 LEU 18 -5.033 -4.987 -3.670 151 HD13 LEU 18 3HD1 LEU 18 -3.963 -6.295 -4.183 152 HD21 LEU 18 1HD2 LEU 18 -7.545 -6.084 -5.196 153 HD22 LEU 18 2HD2 LEU 18 -7.264 -5.343 -6.769 154 HD23 LEU 18 3HD2 LEU 18 -7.091 -4.382 -5.298 155 H LEU 19 H LEU 19 -2.987 -4.739 -9.465 156 HA LEU 19 HA LEU 19 -1.970 -2.108 -9.683 157 HB2 LEU 19 2HB LEU 19 -0.649 -4.107 -10.255 158 HB3 LEU 19 3HB LEU 19 -1.746 -4.486 -11.567 159 HG LEU 19 HG LEU 19 -0.995 -2.456 -12.790 160 HD11 LEU 19 1HD1 LEU 19 0.960 -1.173 -12.030 161 HD12 LEU 19 2HD1 LEU 19 0.943 -2.048 -10.495 162 HD13 LEU 19 3HD1 LEU 19 -0.411 -1.002 -10.935 163 HD21 LEU 19 1HD2 LEU 19 0.125 -4.588 -13.241 164 HD22 LEU 19 2HD2 LEU 19 1.299 -4.267 -11.961 165 HD23 LEU 19 3HD2 LEU 19 1.251 -3.239 -13.396 166 H GLU 20 H GLU 20 -4.120 -4.029 -11.798 167 HA GLU 20 HA GLU 20 -4.632 -2.065 -13.736 168 HB2 GLU 20 2HB GLU 20 -6.275 -4.476 -12.874 169 HB3 GLU 20 3HB GLU 20 -6.724 -3.454 -14.233 170 HG2 GLU 20 2HG GLU 20 -4.154 -5.044 -13.998 171 HG3 GLU 20 3HG GLU 20 -5.563 -5.491 -14.956 172 H VAL 21 H VAL 21 -6.099 -2.565 -10.559 173 HA VAL 21 HA VAL 21 -8.406 -0.990 -10.869 174 HB VAL 21 HB VAL 21 -6.763 -1.365 -8.318 175 HG11 VAL 21 1HG1 VAL 21 -8.881 -0.807 -7.125 176 HG12 VAL 21 2HG1 VAL 21 -9.633 -0.407 -8.668 177 HG13 VAL 21 3HG1 VAL 21 -8.268 0.545 -8.080 178 HG21 VAL 21 1HG2 VAL 21 -8.374 -3.157 -7.753 179 HG22 VAL 21 2HG2 VAL 21 -7.505 -3.523 -9.242 180 HG23 VAL 21 3HG2 VAL 21 -9.169 -2.943 -9.319 181 H VAL 22 H VAL 22 -5.132 -0.043 -9.689 182 HA VAL 22 HA VAL 22 -5.674 2.710 -9.283 183 HB VAL 22 HB VAL 22 -2.940 1.596 -10.101 184 HG11 VAL 22 1HG1 VAL 22 -3.681 4.041 -8.429 185 HG12 VAL 22 2HG1 VAL 22 -3.074 4.059 -10.087 186 HG13 VAL 22 3HG1 VAL 22 -2.040 3.491 -8.776 187 HG21 VAL 22 1HG2 VAL 22 -2.458 1.220 -7.720 188 HG22 VAL 22 2HG2 VAL 22 -3.816 0.230 -8.257 189 HG23 VAL 22 3HG2 VAL 22 -4.112 1.682 -7.299 190 H LEU 23 H LEU 23 -4.457 0.904 -12.079 191 HA LEU 23 HA LEU 23 -3.732 3.150 -13.667 192 HB2 LEU 23 2HB LEU 23 -4.255 0.274 -14.514 193 HB3 LEU 23 3HB LEU 23 -3.456 1.491 -15.499 194 HG LEU 23 HG LEU 23 -2.390 0.351 -12.882 195 HD11 LEU 23 1HD1 LEU 23 -1.439 -0.111 -15.725 196 HD12 LEU 23 2HD1 LEU 23 -2.262 -1.278 -14.688 197 HD13 LEU 23 3HD1 LEU 23 -0.651 -0.708 -14.261 198 HD21 LEU 23 1HD2 LEU 23 -1.079 2.363 -14.740 199 HD22 LEU 23 2HD2 LEU 23 -0.321 1.601 -13.340 200 HD23 LEU 23 3HD2 LEU 23 -1.692 2.684 -13.113 201 H LYS 24 H LYS 24 -6.754 1.314 -13.376 202 HA LYS 24 HA LYS 24 -8.043 2.556 -15.660 203 HB2 LYS 24 2HB LYS 24 -9.199 0.910 -13.350 204 HB3 LYS 24 3HB LYS 24 -10.173 1.549 -14.670 205 HG2 LYS 24 2HG LYS 24 -7.943 -0.486 -14.922 206 HG3 LYS 24 3HG LYS 24 -9.676 -0.805 -15.035 207 HD2 LYS 24 2HD LYS 24 -9.783 0.655 -17.059 208 HD3 LYS 24 3HD LYS 24 -8.037 0.897 -16.957 209 HE2 LYS 24 2HE LYS 24 -9.475 -1.729 -17.463 210 HE3 LYS 24 3HE LYS 24 -8.530 -0.799 -18.627 211 HZ1 LYS 24 1HZ LYS 24 -6.587 -1.152 -17.130 212 HZ2 LYS 24 2HZ LYS 24 -7.181 -2.557 -17.849 213 HZ3 LYS 24 3HZ LYS 24 -7.531 -2.229 -16.233 214 H SER 25 H SER 25 -7.964 3.051 -12.147 215 HA SER 25 HA SER 25 -10.113 4.954 -12.078 216 HB2 SER 25 2HB SER 25 -8.026 4.242 -9.963 217 HB3 SER 25 3HB SER 25 -9.472 5.220 -9.678 218 HG SER 25 HG SER 25 -9.417 2.521 -10.566 219 H ASP 26 H ASP 26 -6.660 5.361 -11.221 220 HA ASP 26 HA ASP 26 -6.542 7.951 -12.563 221 HB2 ASP 26 2HB ASP 26 -5.670 9.054 -10.471 222 HB3 ASP 26 3HB ASP 26 -7.368 8.627 -10.406 223 HA PRO 27 HA PRO 27 -2.643 5.536 -13.196 224 HB2 PRO 27 2HB PRO 27 -2.278 6.204 -15.815 225 HB3 PRO 27 3HB PRO 27 -3.464 4.976 -15.319 226 HG2 PRO 27 2HG PRO 27 -3.938 7.871 -15.985 227 HG3 PRO 27 3HG PRO 27 -4.830 6.435 -16.538 228 HD2 PRO 27 2HD PRO 27 -5.717 7.988 -14.486 229 HD3 PRO 27 3HD PRO 27 -6.014 6.233 -14.544 230 H ASN 28 H ASN 28 -3.339 8.784 -12.906 231 HA ASN 28 HA ASN 28 -0.862 10.042 -13.517 232 HB2 ASN 28 2HB ASN 28 -2.835 10.911 -11.347 233 HB3 ASN 28 3HB ASN 28 -1.682 11.925 -12.203 234 HD21 ASN 28 1HD2 ASN 28 -4.731 10.288 -12.366 235 HD22 ASN 28 2HD2 ASN 28 -5.289 11.004 -13.837 236 H VAL 29 H VAL 29 -2.178 8.382 -10.710 237 HA VAL 29 HA VAL 29 -0.018 8.830 -8.905 238 HB VAL 29 HB VAL 29 -2.126 6.611 -8.944 239 HG11 VAL 29 1HG1 VAL 29 -0.269 7.436 -6.670 240 HG12 VAL 29 2HG1 VAL 29 -0.194 5.921 -7.570 241 HG13 VAL 29 3HG1 VAL 29 -1.585 6.265 -6.542 242 HG21 VAL 29 1HG2 VAL 29 -2.038 9.252 -7.446 243 HG22 VAL 29 2HG2 VAL 29 -3.265 8.003 -7.229 244 HG23 VAL 29 3HG2 VAL 29 -3.121 8.834 -8.777 245 H LYS 30 H LYS 30 1.839 7.719 -8.644 246 HA LYS 30 HA LYS 30 2.784 6.027 -10.768 247 HB2 LYS 30 2HB LYS 30 4.223 7.733 -9.696 248 HB3 LYS 30 3HB LYS 30 4.113 6.881 -8.159 249 HG2 LYS 30 2HG LYS 30 6.259 6.509 -9.369 250 HG3 LYS 30 3HG LYS 30 5.382 5.012 -9.030 251 HD2 LYS 30 2HD LYS 30 4.623 4.855 -11.324 252 HD3 LYS 30 3HD LYS 30 5.242 6.467 -11.700 253 HE2 LYS 30 2HE LYS 30 6.936 4.068 -10.943 254 HE3 LYS 30 3HE LYS 30 6.701 4.691 -12.580 255 HZ1 LYS 30 1HZ LYS 30 7.988 6.117 -10.320 256 HZ2 LYS 30 2HZ LYS 30 7.668 6.806 -11.832 257 HZ3 LYS 30 3HZ LYS 30 8.745 5.516 -11.706 258 H THR 31 H THR 31 3.106 3.851 -10.743 259 HA THR 31 HA THR 31 2.485 2.305 -8.290 260 HB THR 31 HB THR 31 1.685 0.480 -9.858 261 HG1 THR 31 HG1 THR 31 2.058 0.776 -11.910 262 HG21 THR 31 1HG2 THR 31 0.113 3.073 -10.071 263 HG22 THR 31 2HG2 THR 31 0.012 1.917 -8.740 264 HG23 THR 31 3HG2 THR 31 -0.523 1.454 -10.358 265 H VAL 32 H VAL 32 3.995 0.859 -7.695 266 HA VAL 32 HA VAL 32 6.105 -0.054 -9.557 267 HB VAL 32 HB VAL 32 6.704 0.969 -6.716 268 HG11 VAL 32 1HG1 VAL 32 9.082 0.520 -7.221 269 HG12 VAL 32 2HG1 VAL 32 8.639 -0.142 -8.796 270 HG13 VAL 32 3HG1 VAL 32 8.122 -0.960 -7.320 271 HG21 VAL 32 1HG2 VAL 32 7.537 2.212 -9.372 272 HG22 VAL 32 2HG2 VAL 32 8.044 2.765 -7.772 273 HG23 VAL 32 3HG2 VAL 32 6.347 2.866 -8.244 274 H ARG 33 H ARG 33 6.089 -2.255 -9.501 275 HA ARG 33 HA ARG 33 5.065 -3.637 -7.081 276 HB2 ARG 33 2HB ARG 33 3.725 -4.128 -9.094 277 HB3 ARG 33 3HB ARG 33 5.167 -4.646 -9.960 278 HG2 ARG 33 2HG ARG 33 5.441 -6.554 -8.438 279 HG3 ARG 33 3HG ARG 33 4.068 -6.006 -7.471 280 HD2 ARG 33 2HD ARG 33 3.445 -7.863 -8.962 281 HD3 ARG 33 3HD ARG 33 2.552 -6.391 -9.370 282 HE ARG 33 HE ARG 33 4.986 -6.810 -10.893 283 HH11 ARG 33 1HH1 ARG 33 1.521 -7.422 -10.797 284 HH12 ARG 33 2HH1 ARG 33 1.402 -7.680 -12.506 285 HH21 ARG 33 1HH2 ARG 33 4.806 -7.148 -13.129 286 HH22 ARG 33 2HH2 ARG 33 3.259 -7.524 -13.824 287 H THR 34 H THR 34 6.879 -3.771 -5.902 288 HA THR 34 HA THR 34 9.279 -5.141 -6.998 289 HB THR 34 HB THR 34 9.775 -2.766 -6.568 290 HG1 THR 34 HG1 THR 34 11.467 -4.150 -6.094 291 HG21 THR 34 1HG2 THR 34 9.656 -1.778 -4.309 292 HG22 THR 34 2HG2 THR 34 8.895 -3.245 -3.695 293 HG23 THR 34 3HG2 THR 34 8.051 -2.246 -4.880 294 H ASP 35 H ASP 35 10.524 -6.334 -5.309 295 HA ASP 35 HA ASP 35 8.941 -7.168 -2.937 296 HB2 ASP 35 2HB ASP 35 10.042 -9.409 -3.085 297 HB3 ASP 35 3HB ASP 35 9.034 -9.054 -4.482 298 H ASP 36 H ASP 36 11.382 -5.279 -3.831 299 HA ASP 36 HA ASP 36 13.151 -5.798 -1.524 300 HB2 ASP 36 2HB ASP 36 13.402 -3.892 -3.907 301 HB3 ASP 36 3HB ASP 36 14.552 -3.949 -2.569 302 H LYS 37 H LYS 37 12.484 -4.803 0.320 303 HA LYS 37 HA LYS 37 10.546 -2.688 0.314 304 HB2 LYS 37 2HB LYS 37 10.381 -2.959 2.630 305 HB3 LYS 37 3HB LYS 37 10.795 -4.569 2.068 306 HG2 LYS 37 2HG LYS 37 13.135 -4.207 2.797 307 HG3 LYS 37 3HG LYS 37 12.697 -2.584 3.346 308 HD2 LYS 37 2HD LYS 37 10.867 -3.860 4.775 309 HD3 LYS 37 3HD LYS 37 11.910 -5.261 4.510 310 HE2 LYS 37 2HE LYS 37 12.704 -2.648 5.820 311 HE3 LYS 37 3HE LYS 37 12.418 -4.176 6.642 312 HZ1 LYS 37 1HZ LYS 37 14.588 -3.636 4.692 313 HZ2 LYS 37 2HZ LYS 37 14.322 -5.104 5.483 314 HZ3 LYS 37 3HZ LYS 37 14.760 -3.734 6.369 315 H GLU 38 H GLU 38 13.994 -2.773 0.333 316 HA GLU 38 HA GLU 38 14.450 -0.100 1.304 317 HB2 GLU 38 2HB GLU 38 16.300 -1.828 -0.397 318 HB3 GLU 38 3HB GLU 38 16.768 -0.427 0.560 319 HG2 GLU 38 2HG GLU 38 15.801 -3.105 1.611 320 HG3 GLU 38 3HG GLU 38 17.445 -2.479 1.678 321 H LYS 39 H LYS 39 13.960 -1.617 -1.861 322 HA LYS 39 HA LYS 39 14.505 0.578 -3.547 323 HB2 LYS 39 2HB LYS 39 14.218 -1.739 -4.393 324 HB3 LYS 39 3HB LYS 39 12.516 -1.706 -3.957 325 HG2 LYS 39 2HG LYS 39 12.744 -1.384 -6.352 326 HG3 LYS 39 3HG LYS 39 12.151 0.116 -5.631 327 HD2 LYS 39 2HD LYS 39 14.474 1.033 -5.695 328 HD3 LYS 39 3HD LYS 39 15.025 -0.460 -6.459 329 HE2 LYS 39 2HE LYS 39 13.509 0.009 -8.384 330 HE3 LYS 39 3HE LYS 39 13.050 1.536 -7.620 331 HZ1 LYS 39 1HZ LYS 39 15.405 2.195 -7.708 332 HZ2 LYS 39 2HZ LYS 39 14.755 1.919 -9.242 333 HZ3 LYS 39 3HZ LYS 39 15.769 0.769 -8.535 334 H VAL 40 H VAL 40 11.576 -0.443 -1.845 335 HA VAL 40 HA VAL 40 9.673 1.326 -2.805 336 HB VAL 40 HB VAL 40 9.949 0.409 0.103 337 HG11 VAL 40 1HG1 VAL 40 7.492 1.340 -1.430 338 HG12 VAL 40 2HG1 VAL 40 8.304 2.210 -0.127 339 HG13 VAL 40 3HG1 VAL 40 7.484 0.684 0.209 340 HG21 VAL 40 1HG2 VAL 40 9.999 -1.531 -1.403 341 HG22 VAL 40 2HG2 VAL 40 8.520 -0.986 -2.193 342 HG23 VAL 40 3HG2 VAL 40 8.482 -1.491 -0.502 343 H LYS 41 H LYS 41 12.094 1.804 -0.246 344 HA LYS 41 HA LYS 41 11.239 4.322 0.720 345 HB2 LYS 41 2HB LYS 41 14.011 3.056 0.813 346 HB3 LYS 41 3HB LYS 41 13.477 4.413 1.809 347 HG2 LYS 41 2HG LYS 41 11.854 3.040 2.953 348 HG3 LYS 41 3HG LYS 41 12.147 1.688 1.849 349 HD2 LYS 41 2HD LYS 41 14.502 1.560 2.698 350 HD3 LYS 41 3HD LYS 41 14.121 2.832 3.866 351 HE2 LYS 41 2HE LYS 41 12.404 1.393 4.885 352 HE3 LYS 41 3HE LYS 41 12.746 0.130 3.696 353 HZ1 LYS 41 1HZ LYS 41 13.834 -0.283 5.800 354 HZ2 LYS 41 2HZ LYS 41 14.679 1.174 5.693 355 HZ3 LYS 41 3HZ LYS 41 14.975 -0.063 4.574 356 H GLU 42 H GLU 42 13.519 3.425 -1.821 357 HA GLU 42 HA GLU 42 14.461 6.023 -2.482 358 HB2 GLU 42 2HB GLU 42 14.250 3.444 -4.090 359 HB3 GLU 42 3HB GLU 42 14.999 4.901 -4.732 360 HG2 GLU 42 2HG GLU 42 15.917 3.383 -2.274 361 HG3 GLU 42 3HG GLU 42 16.664 3.307 -3.870 362 H GLU 43 H GLU 43 11.686 4.104 -3.599 363 HA GLU 43 HA GLU 43 10.732 6.006 -5.524 364 HB2 GLU 43 2HB GLU 43 9.287 3.670 -4.195 365 HB3 GLU 43 3HB GLU 43 8.736 4.541 -5.620 366 HG2 GLU 43 2HG GLU 43 11.219 2.832 -5.404 367 HG3 GLU 43 3HG GLU 43 9.742 2.427 -6.278 368 H ILE 44 H ILE 44 10.259 5.563 -2.103 369 HA ILE 44 HA ILE 44 7.875 7.011 -1.644 370 HB ILE 44 HB ILE 44 10.243 6.263 0.131 371 HG12 ILE 44 2HG1 ILE 44 7.315 5.400 0.154 372 HG13 ILE 44 3HG1 ILE 44 8.655 4.455 -0.467 373 HG21 ILE 44 1HG2 ILE 44 7.838 7.839 1.088 374 HG22 ILE 44 2HG2 ILE 44 9.503 8.418 1.020 375 HG23 ILE 44 3HG2 ILE 44 9.067 7.114 2.127 376 HD11 ILE 44 1HD1 ILE 44 8.176 5.207 2.410 377 HD12 ILE 44 2HD1 ILE 44 9.575 4.313 1.812 378 HD13 ILE 44 3HD1 ILE 44 7.961 3.622 1.669 379 H GLU 45 H GLU 45 11.307 7.946 -1.587 380 HA GLU 45 HA GLU 45 10.982 10.649 -0.848 381 HB2 GLU 45 2HB GLU 45 13.234 9.275 -2.370 382 HB3 GLU 45 3HB GLU 45 13.328 10.925 -1.757 383 HG2 GLU 45 2HG GLU 45 12.973 8.423 -0.077 384 HG3 GLU 45 3HG GLU 45 14.466 9.343 -0.262 385 H LYS 46 H LYS 46 10.743 9.089 -3.971 386 HA LYS 46 HA LYS 46 10.857 11.415 -5.637 387 HB2 LYS 46 2HB LYS 46 9.628 8.660 -6.141 388 HB3 LYS 46 3HB LYS 46 9.895 9.883 -7.384 389 HG2 LYS 46 2HG LYS 46 12.295 9.720 -7.148 390 HG3 LYS 46 3HG LYS 46 12.138 8.719 -5.703 391 HD2 LYS 46 2HD LYS 46 12.751 7.288 -7.544 392 HD3 LYS 46 3HD LYS 46 11.083 6.928 -7.104 393 HE2 LYS 46 2HE LYS 46 10.331 8.340 -9.018 394 HE3 LYS 46 3HE LYS 46 12.022 8.581 -9.470 395 HZ1 LYS 46 1HZ LYS 46 12.247 6.205 -9.775 396 HZ2 LYS 46 2HZ LYS 46 10.988 6.793 -10.733 397 HZ3 LYS 46 3HZ LYS 46 10.648 5.952 -9.308 398 H ALA 47 H ALA 47 8.128 9.407 -4.427 399 HA ALA 47 HA ALA 47 6.046 11.117 -5.390 400 HB1 ALA 47 1HB ALA 47 4.551 9.771 -3.980 401 HB2 ALA 47 2HB ALA 47 5.943 9.072 -3.144 402 HB3 ALA 47 3HB ALA 47 5.681 8.743 -4.857 403 H ARG 48 H ARG 48 7.958 11.123 -2.486 404 HA ARG 48 HA ARG 48 6.471 12.694 -0.715 405 HB2 ARG 48 2HB ARG 48 8.407 11.413 -0.005 406 HB3 ARG 48 3HB ARG 48 9.469 12.309 -1.079 407 HG2 ARG 48 2HG ARG 48 9.273 14.302 0.301 408 HG3 ARG 48 3HG ARG 48 8.073 13.522 1.329 409 HD2 ARG 48 2HD ARG 48 9.742 11.878 2.074 410 HD3 ARG 48 3HD ARG 48 10.948 12.596 0.998 411 HE ARG 48 HE ARG 48 9.939 14.569 2.743 412 HH11 ARG 48 1HH1 ARG 48 12.020 11.742 2.779 413 HH12 ARG 48 2HH1 ARG 48 12.964 12.305 4.125 414 HH21 ARG 48 1HH2 ARG 48 11.202 15.323 4.493 415 HH22 ARG 48 2HH2 ARG 48 12.498 14.339 5.094 416 H LYS 49 H LYS 49 9.093 13.714 -2.944 417 HA LYS 49 HA LYS 49 8.862 16.499 -2.339 418 HB2 LYS 49 2HB LYS 49 10.439 16.863 -4.186 419 HB3 LYS 49 3HB LYS 49 10.976 15.562 -3.133 420 HG2 LYS 49 2HG LYS 49 10.346 13.883 -4.760 421 HG3 LYS 49 3HG LYS 49 9.580 15.094 -5.791 422 HD2 LYS 49 2HD LYS 49 12.558 14.965 -5.146 423 HD3 LYS 49 3HD LYS 49 11.811 14.423 -6.649 424 HE2 LYS 49 2HE LYS 49 11.107 16.704 -7.176 425 HE3 LYS 49 3HE LYS 49 11.708 17.281 -5.621 426 HZ1 LYS 49 1HZ LYS 49 13.948 16.675 -6.303 427 HZ2 LYS 49 2HZ LYS 49 13.264 17.777 -7.381 428 HZ3 LYS 49 3HZ LYS 49 13.373 16.146 -7.799 429 H GLN 50 H GLN 50 7.463 14.420 -4.785 430 HA GLN 50 HA GLN 50 6.230 16.456 -6.380 431 HB2 GLN 50 2HB GLN 50 5.602 13.486 -6.059 432 HB3 GLN 50 3HB GLN 50 4.873 14.536 -7.272 433 HG2 GLN 50 2HG GLN 50 7.138 14.972 -8.213 434 HG3 GLN 50 3HG GLN 50 7.806 13.822 -7.056 435 HE21 GLN 50 1HE2 GLN 50 5.877 14.204 -9.933 436 HE22 GLN 50 2HE2 GLN 50 5.870 12.542 -10.391 437 H GLY 51 H GLY 51 5.462 14.862 -3.405 438 HA2 GLY 51 2HA GLY 51 3.840 15.215 -1.839 439 HA3 GLY 51 3HA GLY 51 3.195 16.513 -2.826 440 H ARG 52 H ARG 52 3.539 13.545 -4.475 441 HA ARG 52 HA ARG 52 0.602 13.215 -4.567 442 HB2 ARG 52 2HB ARG 52 0.935 12.070 -6.677 443 HB3 ARG 52 3HB ARG 52 1.843 13.574 -6.721 444 HG2 ARG 52 2HG ARG 52 3.943 12.384 -6.387 445 HG3 ARG 52 3HG ARG 52 3.086 10.859 -6.145 446 HD2 ARG 52 2HD ARG 52 4.061 11.012 -8.407 447 HD3 ARG 52 3HD ARG 52 2.298 10.905 -8.470 448 HE ARG 52 HE ARG 52 3.321 13.609 -8.509 449 HH11 ARG 52 1HH1 ARG 52 2.502 10.863 -10.558 450 HH12 ARG 52 2HH1 ARG 52 2.290 11.840 -11.974 451 HH21 ARG 52 1HH2 ARG 52 3.017 14.864 -10.368 452 HH22 ARG 52 2HH2 ARG 52 2.580 14.105 -11.869 453 HA PRO 53 HA PRO 53 0.946 9.062 -2.716 454 HB2 PRO 53 2HB PRO 53 -0.995 7.674 -4.146 455 HB3 PRO 53 3HB PRO 53 -1.335 8.752 -2.786 456 HG2 PRO 53 2HG PRO 53 -1.551 9.303 -5.709 457 HG3 PRO 53 3HG PRO 53 -2.638 9.794 -4.393 458 HD2 PRO 53 2HD PRO 53 -0.836 11.505 -5.510 459 HD3 PRO 53 3HD PRO 53 -1.314 11.606 -3.800 460 H ILE 54 H ILE 54 1.633 6.962 -3.176 461 HA ILE 54 HA ILE 54 2.146 6.111 -5.924 462 HB ILE 54 HB ILE 54 4.304 7.092 -5.135 463 HG12 ILE 54 2HG1 ILE 54 4.481 4.049 -5.300 464 HG13 ILE 54 3HG1 ILE 54 4.274 5.109 -6.690 465 HG21 ILE 54 1HG2 ILE 54 5.596 6.100 -3.280 466 HG22 ILE 54 2HG2 ILE 54 4.250 5.022 -2.909 467 HG23 ILE 54 3HG2 ILE 54 4.062 6.763 -2.703 468 HD11 ILE 54 1HD1 ILE 54 6.650 5.066 -4.836 469 HD12 ILE 54 2HD1 ILE 54 6.438 6.142 -6.222 470 HD13 ILE 54 3HD1 ILE 54 6.566 4.401 -6.467 471 H VAL 55 H VAL 55 1.717 3.923 -6.135 472 HA VAL 55 HA VAL 55 0.752 2.509 -3.722 473 HB VAL 55 HB VAL 55 -0.161 1.956 -6.593 474 HG11 VAL 55 1HG1 VAL 55 -0.411 0.059 -5.036 475 HG12 VAL 55 2HG1 VAL 55 -1.987 0.707 -5.485 476 HG13 VAL 55 3HG1 VAL 55 -1.301 1.083 -3.902 477 HG21 VAL 55 1HG2 VAL 55 -2.255 3.150 -6.037 478 HG22 VAL 55 2HG2 VAL 55 -0.864 4.233 -5.966 479 HG23 VAL 55 3HG2 VAL 55 -1.583 3.623 -4.474 480 H ILE 56 H ILE 56 2.189 1.133 -3.106 481 HA ILE 56 HA ILE 56 4.143 -0.092 -4.920 482 HB ILE 56 HB ILE 56 4.105 0.084 -1.864 483 HG12 ILE 56 2HG1 ILE 56 4.441 2.313 -3.000 484 HG13 ILE 56 3HG1 ILE 56 5.820 1.809 -2.032 485 HG21 ILE 56 1HG2 ILE 56 5.327 -1.899 -2.634 486 HG22 ILE 56 2HG2 ILE 56 6.443 -0.709 -1.973 487 HG23 ILE 56 3HG2 ILE 56 6.306 -0.907 -3.721 488 HD11 ILE 56 1HD1 ILE 56 5.619 1.638 -5.040 489 HD12 ILE 56 2HD1 ILE 56 7.011 1.145 -4.070 490 HD13 ILE 56 3HD1 ILE 56 6.518 2.837 -4.114 491 H PHE 57 H PHE 57 3.727 -2.121 -5.520 492 HA PHE 57 HA PHE 57 1.940 -3.868 -3.950 493 HB2 PHE 57 2HB PHE 57 2.928 -4.108 -6.835 494 HB3 PHE 57 3HB PHE 57 1.792 -5.200 -6.049 495 HD1 PHE 57 HD1 PHE 57 -0.504 -4.454 -5.514 496 HD2 PHE 57 HD2 PHE 57 2.203 -1.909 -7.641 497 HE1 PHE 57 HE1 PHE 57 -2.372 -3.000 -6.168 498 HE2 PHE 57 HE2 PHE 57 0.319 -0.467 -8.292 499 HZ PHE 57 HZ PHE 57 -1.962 -1.009 -7.549 500 H ILE 58 H ILE 58 3.182 -4.922 -2.465 501 HA ILE 58 HA ILE 58 5.886 -5.816 -3.179 502 HB ILE 58 HB ILE 58 4.656 -6.050 -0.401 503 HG12 ILE 58 2HG1 ILE 58 6.296 -3.689 -1.456 504 HG13 ILE 58 3HG1 ILE 58 4.565 -3.645 -1.151 505 HG21 ILE 58 1HG2 ILE 58 7.554 -5.950 -1.363 506 HG22 ILE 58 2HG2 ILE 58 6.691 -7.397 -0.838 507 HG23 ILE 58 3HG2 ILE 58 7.038 -6.110 0.318 508 HD11 ILE 58 1HD1 ILE 58 5.799 -2.592 0.633 509 HD12 ILE 58 2HD1 ILE 58 6.711 -4.073 0.923 510 HD13 ILE 58 3HD1 ILE 58 4.971 -4.029 1.227 511 H ARG 59 H ARG 59 5.972 -7.755 -4.086 512 HA ARG 59 HA ARG 59 4.054 -9.863 -3.677 513 HB2 ARG 59 2HB ARG 59 5.280 -9.541 -5.834 514 HB3 ARG 59 3HB ARG 59 6.800 -9.908 -5.026 515 HG2 ARG 59 2HG ARG 59 5.824 -12.202 -4.481 516 HG3 ARG 59 3HG ARG 59 4.479 -11.797 -5.545 517 HD2 ARG 59 2HD ARG 59 6.051 -11.553 -7.436 518 HD3 ARG 59 3HD ARG 59 7.404 -11.938 -6.370 519 HE ARG 59 HE ARG 59 5.452 -13.773 -7.499 520 HH11 ARG 59 1HH1 ARG 59 7.992 -13.392 -5.089 521 HH12 ARG 59 2HH1 ARG 59 8.259 -15.099 -4.934 522 HH21 ARG 59 1HH2 ARG 59 5.820 -16.007 -7.270 523 HH22 ARG 59 2HH2 ARG 59 7.035 -16.570 -6.164 524 H GLY 60 H GLY 60 4.003 -10.871 -1.765 525 HA2 GLY 60 2HA GLY 60 4.578 -12.434 -0.206 526 HA3 GLY 60 3HA GLY 60 6.152 -12.589 -0.976 527 H ALA 61 H ALA 61 4.472 -9.890 0.691 528 HA ALA 61 HA ALA 61 6.848 -9.333 2.328 529 HB1 ALA 61 1HB ALA 61 5.636 -7.454 1.285 530 HB2 ALA 61 2HB ALA 61 5.628 -7.324 3.040 531 HB3 ALA 61 3HB ALA 61 4.185 -7.874 2.190 532 H THR 62 H THR 62 6.383 -8.768 4.649 533 HA THR 62 HA THR 62 4.261 -10.200 6.040 534 HB THR 62 HB THR 62 5.976 -11.946 5.942 535 HG1 THR 62 HG1 THR 62 5.053 -12.074 7.901 536 HG21 THR 62 1HG2 THR 62 8.242 -11.641 6.880 537 HG22 THR 62 2HG2 THR 62 7.903 -9.931 7.150 538 HG23 THR 62 3HG2 THR 62 7.967 -10.566 5.505 539 H GLU 63 H GLU 63 4.863 -9.722 8.624 540 HA GLU 63 HA GLU 63 4.051 -7.106 8.924 541 HB2 GLU 63 2HB GLU 63 3.778 -8.941 10.638 542 HB3 GLU 63 3HB GLU 63 5.471 -8.726 11.076 543 HG2 GLU 63 2HG GLU 63 4.904 -6.292 11.588 544 HG3 GLU 63 3HG GLU 63 3.206 -6.736 11.412 545 H GLU 64 H GLU 64 7.330 -8.385 9.568 546 HA GLU 64 HA GLU 64 8.604 -6.106 10.471 547 HB2 GLU 64 2HB GLU 64 10.744 -7.167 9.770 548 HB3 GLU 64 3HB GLU 64 9.674 -8.316 10.568 549 HG2 GLU 64 2HG GLU 64 9.033 -9.284 8.420 550 HG3 GLU 64 3HG GLU 64 9.971 -8.073 7.556 551 H VAL 65 H VAL 65 8.059 -7.104 7.119 552 HA VAL 65 HA VAL 65 9.648 -5.129 5.835 553 HB VAL 65 HB VAL 65 7.301 -6.807 4.815 554 HG11 VAL 65 1HG1 VAL 65 9.275 -5.205 3.151 555 HG12 VAL 65 2HG1 VAL 65 7.559 -4.851 3.359 556 HG13 VAL 65 3HG1 VAL 65 8.060 -6.321 2.522 557 HG21 VAL 65 1HG2 VAL 65 10.296 -7.254 4.486 558 HG22 VAL 65 2HG2 VAL 65 9.017 -8.274 3.819 559 HG23 VAL 65 3HG2 VAL 65 9.230 -8.155 5.567 560 H VAL 66 H VAL 66 6.149 -5.416 6.451 561 HA VAL 66 HA VAL 66 5.335 -3.079 5.094 562 HB VAL 66 HB VAL 66 3.855 -4.449 7.393 563 HG11 VAL 66 1HG1 VAL 66 2.801 -2.747 5.095 564 HG12 VAL 66 2HG1 VAL 66 2.907 -2.261 6.788 565 HG13 VAL 66 3HG1 VAL 66 1.810 -3.556 6.312 566 HG21 VAL 66 1HG2 VAL 66 3.752 -5.127 4.427 567 HG22 VAL 66 2HG2 VAL 66 2.738 -5.844 5.683 568 HG23 VAL 66 3HG2 VAL 66 4.481 -6.115 5.691 569 H ARG 67 H ARG 67 5.583 -3.715 8.621 570 HA ARG 67 HA ARG 67 4.887 -1.183 9.529 571 HB2 ARG 67 2HB ARG 67 5.712 -1.867 11.740 572 HB3 ARG 67 3HB ARG 67 4.840 -3.176 10.969 573 HG2 ARG 67 2HG ARG 67 6.590 -4.381 11.814 574 HG3 ARG 67 3HG ARG 67 7.294 -3.953 10.257 575 HD2 ARG 67 2HD ARG 67 8.943 -3.632 11.990 576 HD3 ARG 67 3HD ARG 67 8.469 -2.042 11.380 577 HE ARG 67 HE ARG 67 7.008 -2.964 13.708 578 HH11 ARG 67 1HH1 ARG 67 9.799 -1.102 12.629 579 HH12 ARG 67 2HH1 ARG 67 9.933 -0.220 14.119 580 HH21 ARG 67 1HH2 ARG 67 7.231 -1.837 15.664 581 HH22 ARG 67 2HH2 ARG 67 8.477 -0.641 15.833 582 H ASP 68 H ASP 68 8.029 -2.351 8.468 583 HA ASP 68 HA ASP 68 9.650 -0.286 9.602 584 HB2 ASP 68 2HB ASP 68 10.561 -2.501 8.946 585 HB3 ASP 68 3HB ASP 68 10.200 -2.165 7.255 586 H ILE 69 H ILE 69 8.485 -0.894 6.267 587 HA ILE 69 HA ILE 69 9.365 1.471 5.010 588 HB ILE 69 HB ILE 69 6.852 -0.164 4.413 589 HG12 ILE 69 2HG1 ILE 69 9.610 -0.366 3.101 590 HG13 ILE 69 3HG1 ILE 69 8.976 -1.497 4.296 591 HG21 ILE 69 1HG2 ILE 69 6.938 0.813 2.132 592 HG22 ILE 69 2HG2 ILE 69 8.275 1.849 2.633 593 HG23 ILE 69 3HG2 ILE 69 6.684 2.048 3.369 594 HD11 ILE 69 1HD1 ILE 69 7.145 -2.068 2.758 595 HD12 ILE 69 2HD1 ILE 69 8.738 -2.409 2.088 596 HD13 ILE 69 3HD1 ILE 69 7.846 -0.989 1.548 597 H VAL 70 H VAL 70 6.432 0.758 6.803 598 HA VAL 70 HA VAL 70 4.953 3.090 6.205 599 HB VAL 70 HB VAL 70 4.710 0.991 8.396 600 HG11 VAL 70 1HG1 VAL 70 2.448 1.888 8.893 601 HG12 VAL 70 2HG1 VAL 70 2.774 3.269 7.846 602 HG13 VAL 70 3HG1 VAL 70 3.726 3.033 9.312 603 HG21 VAL 70 1HG2 VAL 70 2.793 0.209 7.026 604 HG22 VAL 70 2HG2 VAL 70 4.284 0.221 6.090 605 HG23 VAL 70 3HG2 VAL 70 3.094 1.499 5.862 606 H GLU 71 H GLU 71 6.821 2.201 9.183 607 HA GLU 71 HA GLU 71 6.344 4.700 10.449 608 HB2 GLU 71 2HB GLU 71 8.021 4.034 12.133 609 HB3 GLU 71 3HB GLU 71 6.844 2.775 11.817 610 HG2 GLU 71 2HG GLU 71 8.802 1.563 12.027 611 HG3 GLU 71 3HG GLU 71 8.661 1.730 10.283 612 H TYR 72 H TYR 72 8.859 3.580 8.269 613 HA TYR 72 HA TYR 72 10.658 5.711 8.328 614 HB2 TYR 72 2HB TYR 72 11.174 3.739 6.999 615 HB3 TYR 72 3HB TYR 72 9.742 3.954 6.005 616 HD1 TYR 72 HD1 TYR 72 13.077 5.506 6.780 617 HD2 TYR 72 HD2 TYR 72 9.875 5.229 3.964 618 HE1 TYR 72 HE1 TYR 72 14.385 6.803 5.160 619 HE2 TYR 72 HE2 TYR 72 11.195 6.523 2.344 620 HH TYR 72 HH TYR 72 13.054 8.230 2.463 621 H ALA 73 H ALA 73 7.850 5.300 6.158 622 HA ALA 73 HA ALA 73 8.042 7.800 4.876 623 HB1 ALA 73 1HB ALA 73 6.878 5.873 3.902 624 HB2 ALA 73 2HB ALA 73 5.808 7.277 3.978 625 HB3 ALA 73 3HB ALA 73 5.641 5.970 5.155 626 H GLN 74 H GLN 74 6.301 6.760 7.768 627 HA GLN 74 HA GLN 74 4.736 9.042 8.268 628 HB2 GLN 74 2HB GLN 74 5.974 6.991 10.153 629 HB3 GLN 74 3HB GLN 74 4.918 8.280 10.726 630 HG2 GLN 74 2HG GLN 74 3.099 7.428 9.293 631 HG3 GLN 74 3HG GLN 74 4.143 6.120 8.742 632 HE21 GLN 74 1HE2 GLN 74 1.571 6.153 10.251 633 HE22 GLN 74 2HE2 GLN 74 1.866 5.180 11.643 634 H LYS 75 H LYS 75 8.076 8.253 9.279 635 HA LYS 75 HA LYS 75 8.594 10.713 10.652 636 HB2 LYS 75 2HB LYS 75 10.469 8.579 9.544 637 HB3 LYS 75 3HB LYS 75 11.032 9.970 10.471 638 HG2 LYS 75 2HG LYS 75 9.753 9.242 12.427 639 HG3 LYS 75 3HG LYS 75 9.067 7.897 11.516 640 HD2 LYS 75 2HD LYS 75 12.036 8.239 12.124 641 HD3 LYS 75 3HD LYS 75 10.932 7.212 13.039 642 HE2 LYS 75 2HE LYS 75 10.484 5.914 10.946 643 HE3 LYS 75 3HE LYS 75 11.711 6.880 10.124 644 HZ1 LYS 75 1HZ LYS 75 12.656 4.822 10.860 645 HZ2 LYS 75 2HZ LYS 75 12.124 5.069 12.437 646 HZ3 LYS 75 3HZ LYS 75 13.321 6.066 11.787 647 H GLU 76 H GLU 76 8.648 9.835 7.268 648 HA GLU 76 HA GLU 76 10.222 12.145 6.441 649 HB2 GLU 76 2HB GLU 76 8.583 10.314 4.641 650 HB3 GLU 76 3HB GLU 76 9.898 11.380 4.171 651 HG2 GLU 76 2HG GLU 76 10.035 8.729 5.598 652 HG3 GLU 76 3HG GLU 76 10.811 9.201 4.095 653 H GLY 77 H GLY 77 7.254 11.974 7.715 654 HA2 GLY 77 2HA GLY 77 5.587 13.538 7.937 655 HA3 GLY 77 3HA GLY 77 6.412 14.549 6.760 656 H LEU 78 H LEU 78 5.393 11.228 6.214 657 HA LEU 78 HA LEU 78 3.539 12.153 4.087 658 HB2 LEU 78 2HB LEU 78 5.154 9.569 4.163 659 HB3 LEU 78 3HB LEU 78 4.126 10.111 2.843 660 HG LEU 78 HG LEU 78 6.753 11.372 3.734 661 HD11 LEU 78 1HD1 LEU 78 7.590 10.682 1.542 662 HD12 LEU 78 2HD1 LEU 78 6.044 9.917 1.168 663 HD13 LEU 78 3HD1 LEU 78 7.045 9.294 2.481 664 HD21 LEU 78 1HD2 LEU 78 5.222 13.134 3.029 665 HD22 LEU 78 2HD2 LEU 78 4.890 12.277 1.525 666 HD23 LEU 78 3HD2 LEU 78 6.499 12.915 1.839 667 H ARG 79 H ARG 79 1.569 11.246 3.942 668 HA ARG 79 HA ARG 79 0.386 9.731 6.044 669 HB2 ARG 79 2HB ARG 79 -0.951 11.298 4.719 670 HB3 ARG 79 3HB ARG 79 -0.523 10.473 3.224 671 HG2 ARG 79 2HG ARG 79 -1.802 8.463 4.023 672 HG3 ARG 79 3HG ARG 79 -2.298 9.391 5.441 673 HD2 ARG 79 2HD ARG 79 -2.906 10.189 2.570 674 HD3 ARG 79 3HD ARG 79 -4.016 9.312 3.626 675 HE ARG 79 HE ARG 79 -3.078 11.778 4.760 676 HH11 ARG 79 1HH1 ARG 79 -5.537 10.397 2.657 677 HH12 ARG 79 2HH1 ARG 79 -6.660 11.697 2.910 678 HH21 ARG 79 1HH2 ARG 79 -4.543 13.454 5.111 679 HH22 ARG 79 2HH2 ARG 79 -6.087 13.436 4.311 680 H VAL 80 H VAL 80 0.100 7.496 6.151 681 HA VAL 80 HA VAL 80 0.976 5.858 3.831 682 HB VAL 80 HB VAL 80 1.126 4.952 6.756 683 HG11 VAL 80 1HG1 VAL 80 0.935 3.132 5.123 684 HG12 VAL 80 2HG1 VAL 80 2.552 3.152 5.821 685 HG13 VAL 80 3HG1 VAL 80 2.290 3.781 4.195 686 HG21 VAL 80 1HG2 VAL 80 2.700 6.824 6.465 687 HG22 VAL 80 2HG2 VAL 80 3.403 6.045 5.047 688 HG23 VAL 80 3HG2 VAL 80 3.581 5.302 6.640 689 H LEU 81 H LEU 81 -0.400 4.358 3.118 690 HA LEU 81 HA LEU 81 -2.821 3.585 4.660 691 HB2 LEU 81 2HB LEU 81 -2.407 3.955 1.652 692 HB3 LEU 81 3HB LEU 81 -3.706 2.964 2.280 693 HG LEU 81 HG LEU 81 -4.553 5.152 1.611 694 HD11 LEU 81 1HD1 LEU 81 -4.624 4.884 4.623 695 HD12 LEU 81 2HD1 LEU 81 -5.670 4.048 3.474 696 HD13 LEU 81 3HD1 LEU 81 -5.756 5.800 3.622 697 HD21 LEU 81 1HD2 LEU 81 -2.728 6.403 3.678 698 HD22 LEU 81 2HD2 LEU 81 -3.927 7.237 2.685 699 HD23 LEU 81 3HD2 LEU 81 -2.521 6.493 1.929 700 H VAL 82 H VAL 82 -3.157 1.295 4.761 701 HA VAL 82 HA VAL 82 -1.197 -0.435 3.357 702 HB VAL 82 HB VAL 82 -1.970 -0.808 6.299 703 HG11 VAL 82 1HG1 VAL 82 -0.351 -2.695 6.286 704 HG12 VAL 82 2HG1 VAL 82 -0.122 -2.486 4.549 705 HG13 VAL 82 3HG1 VAL 82 -1.696 -2.978 5.177 706 HG21 VAL 82 1HG2 VAL 82 -0.345 1.028 6.003 707 HG22 VAL 82 2HG2 VAL 82 0.726 -0.049 5.107 708 HG23 VAL 82 3HG2 VAL 82 0.399 -0.352 6.816 709 H ILE 83 H ILE 83 -2.380 -1.571 1.991 710 HA ILE 83 HA ILE 83 -4.904 -2.878 2.823 711 HB ILE 83 HB ILE 83 -3.699 -2.592 0.016 712 HG12 ILE 83 2HG1 ILE 83 -6.011 -1.098 1.324 713 HG13 ILE 83 3HG1 ILE 83 -4.444 -0.421 0.903 714 HG21 ILE 83 1HG2 ILE 83 -5.868 -3.448 -0.814 715 HG22 ILE 83 2HG2 ILE 83 -6.426 -3.675 0.844 716 HG23 ILE 83 3HG2 ILE 83 -5.078 -4.633 0.230 717 HD11 ILE 83 1HD1 ILE 83 -6.155 0.245 -0.654 718 HD12 ILE 83 2HD1 ILE 83 -6.503 -1.439 -1.042 719 HD13 ILE 83 3HD1 ILE 83 -4.933 -0.738 -1.453 720 H MET 84 H MET 84 -4.660 -4.944 3.462 721 HA MET 84 HA MET 84 -2.559 -6.647 2.244 722 HB2 MET 84 2HB MET 84 -3.690 -6.626 5.079 723 HB3 MET 84 3HB MET 84 -2.752 -7.972 4.441 724 HG2 MET 84 2HG MET 84 -0.780 -6.661 4.284 725 HG3 MET 84 3HG MET 84 -1.670 -5.152 4.490 726 HE1 MET 84 1HE MET 84 -2.298 -4.091 6.758 727 HE2 MET 84 2HE MET 84 -2.412 -4.998 8.261 728 HE3 MET 84 3HE MET 84 -3.509 -5.362 6.934 729 H VAL 85 H VAL 85 -3.499 -7.909 0.838 730 HA VAL 85 HA VAL 85 -5.992 -9.348 1.459 731 HB VAL 85 HB VAL 85 -5.454 -8.022 -1.265 732 HG11 VAL 85 1HG1 VAL 85 -7.785 -9.789 -0.383 733 HG12 VAL 85 2HG1 VAL 85 -6.496 -10.254 -1.496 734 HG13 VAL 85 3HG1 VAL 85 -7.632 -8.988 -1.949 735 HG21 VAL 85 1HG2 VAL 85 -7.496 -6.689 -0.849 736 HG22 VAL 85 2HG2 VAL 85 -6.279 -6.382 0.391 737 HG23 VAL 85 3HG2 VAL 85 -7.658 -7.419 0.753 738 H ASP 86 H ASP 86 -5.397 -11.382 1.438 739 HA ASP 86 HA ASP 86 -3.849 -12.570 -0.705 740 HB2 ASP 86 2HB ASP 86 -2.104 -11.697 0.922 741 HB3 ASP 86 3HB ASP 86 -2.808 -12.718 2.174 742 H GLN 87 H GLN 87 -3.671 -15.035 -0.176 743 HA GLN 87 HA GLN 87 -6.342 -15.955 0.442 744 HB2 GLN 87 2HB GLN 87 -3.852 -17.546 -0.325 745 HB3 GLN 87 3HB GLN 87 -5.502 -18.169 -0.287 746 HG2 GLN 87 2HG GLN 87 -6.141 -16.605 -2.081 747 HG3 GLN 87 3HG GLN 87 -4.498 -15.961 -2.106 748 HE21 GLN 87 1HE2 GLN 87 -4.158 -16.526 -4.251 749 HE22 GLN 87 2HE2 GLN 87 -3.986 -18.161 -4.774 750 H ASP 88 H ASP 88 -6.155 -15.109 2.653 751 HA ASP 88 HA ASP 88 -5.942 -16.992 4.670 752 HB2 ASP 88 2HB ASP 88 -3.433 -16.765 4.111 753 HB3 ASP 88 3HB ASP 88 -3.518 -15.112 4.707 754 H GLN 89 H GLN 89 -6.481 -16.063 6.758 755 HA GLN 89 HA GLN 89 -7.293 -13.211 6.734 756 HB2 GLN 89 2HB GLN 89 -9.152 -14.855 7.018 757 HB3 GLN 89 3HB GLN 89 -8.362 -15.495 8.453 758 HG2 GLN 89 2HG GLN 89 -10.237 -13.983 9.001 759 HG3 GLN 89 3HG GLN 89 -8.703 -13.382 9.631 760 HE21 GLN 89 1HE2 GLN 89 -7.832 -11.468 8.737 761 HE22 GLN 89 2HE2 GLN 89 -8.764 -10.412 7.736 762 H GLU 90 H GLU 90 -5.638 -15.719 8.628 763 HA GLU 90 HA GLU 90 -5.644 -14.353 11.108 764 HB2 GLU 90 2HB GLU 90 -4.068 -16.759 10.135 765 HB3 GLU 90 3HB GLU 90 -4.071 -16.215 11.811 766 HG2 GLU 90 2HG GLU 90 -6.450 -16.668 12.019 767 HG3 GLU 90 3HG GLU 90 -6.577 -17.004 10.294 768 H GLU 91 H GLU 91 -2.877 -14.956 8.861 769 HA GLU 91 HA GLU 91 -0.966 -13.514 10.425 770 HB2 GLU 91 2HB GLU 91 0.573 -13.776 8.551 771 HB3 GLU 91 3HB GLU 91 -0.306 -15.284 8.790 772 HG2 GLU 91 2HG GLU 91 -1.821 -14.657 6.905 773 HG3 GLU 91 3HG GLU 91 -0.852 -13.205 6.649 774 H LEU 92 H LEU 92 -3.184 -12.628 7.865 775 HA LEU 92 HA LEU 92 -2.239 -10.051 7.242 776 HB2 LEU 92 2HB LEU 92 -4.990 -11.333 7.089 777 HB3 LEU 92 3HB LEU 92 -4.787 -9.633 6.728 778 HG LEU 92 HG LEU 92 -3.195 -10.235 4.882 779 HD11 LEU 92 1HD1 LEU 92 -2.406 -12.398 5.665 780 HD12 LEU 92 2HD1 LEU 92 -3.069 -12.520 4.036 781 HD13 LEU 92 3HD1 LEU 92 -4.009 -13.096 5.417 782 HD21 LEU 92 1HD2 LEU 92 -5.959 -11.466 4.633 783 HD22 LEU 92 2HD2 LEU 92 -4.915 -10.981 3.292 784 HD23 LEU 92 3HD2 LEU 92 -5.552 -9.764 4.397 785 H GLU 93 H GLU 93 -4.528 -11.190 9.734 786 HA GLU 93 HA GLU 93 -5.134 -8.688 10.928 787 HB2 GLU 93 2HB GLU 93 -5.250 -11.504 12.086 788 HB3 GLU 93 3HB GLU 93 -5.923 -10.081 12.879 789 HG2 GLU 93 2HG GLU 93 -7.500 -9.758 11.031 790 HG3 GLU 93 3HG GLU 93 -6.794 -11.120 10.167 791 H ARG 94 H ARG 94 -2.426 -10.876 11.372 792 HA ARG 94 HA ARG 94 -1.447 -9.927 13.858 793 HB2 ARG 94 2HB ARG 94 -0.679 -12.056 12.891 794 HB3 ARG 94 3HB ARG 94 0.025 -11.215 11.516 795 HG2 ARG 94 2HG ARG 94 1.773 -11.896 13.086 796 HG3 ARG 94 3HG ARG 94 1.671 -10.135 13.007 797 HD2 ARG 94 2HD ARG 94 0.361 -10.134 15.121 798 HD3 ARG 94 3HD ARG 94 0.518 -11.894 15.205 799 HE ARG 94 HE ARG 94 3.013 -10.390 15.041 800 HH11 ARG 94 1HH1 ARG 94 0.658 -11.881 17.201 801 HH12 ARG 94 2HH1 ARG 94 1.768 -12.001 18.527 802 HH21 ARG 94 1HH2 ARG 94 4.461 -10.586 16.784 803 HH22 ARG 94 2HH2 ARG 94 3.929 -11.263 18.289 804 H ILE 95 H ILE 95 -0.514 -9.133 10.514 805 HA ILE 95 HA ILE 95 1.304 -7.041 11.069 806 HB ILE 95 HB ILE 95 -0.399 -7.316 8.536 807 HG12 ILE 95 2HG1 ILE 95 2.254 -8.729 9.131 808 HG13 ILE 95 3HG1 ILE 95 0.684 -9.514 9.070 809 HG21 ILE 95 1HG2 ILE 95 0.876 -5.216 8.697 810 HG22 ILE 95 2HG2 ILE 95 1.520 -6.236 7.413 811 HG23 ILE 95 3HG2 ILE 95 2.369 -6.123 8.956 812 HD11 ILE 95 1HD1 ILE 95 2.089 -8.188 6.752 813 HD12 ILE 95 2HD1 ILE 95 0.504 -8.962 6.688 814 HD13 ILE 95 3HD1 ILE 95 1.940 -9.921 7.045 815 H TYR 96 H TYR 96 -2.141 -7.093 10.311 816 HA TYR 96 HA TYR 96 -2.864 -4.422 10.170 817 HB2 TYR 96 2HB TYR 96 -4.283 -6.336 9.562 818 HB3 TYR 96 3HB TYR 96 -4.369 -6.860 11.227 819 HD1 TYR 96 HD1 TYR 96 -5.695 -4.518 8.724 820 HD2 TYR 96 HD2 TYR 96 -5.909 -5.739 12.813 821 HE1 TYR 96 HE1 TYR 96 -7.857 -3.376 8.959 822 HE2 TYR 96 HE2 TYR 96 -8.061 -4.576 13.047 823 HH TYR 96 HH TYR 96 -9.829 -3.404 10.387 824 H GLU 97 H GLU 97 -2.471 -6.455 13.068 825 HA GLU 97 HA GLU 97 -3.669 -4.760 14.979 826 HB2 GLU 97 2HB GLU 97 -3.114 -7.195 15.320 827 HB3 GLU 97 3HB GLU 97 -1.411 -6.765 15.413 828 HG2 GLU 97 2HG GLU 97 -2.282 -7.096 17.653 829 HG3 GLU 97 3HG GLU 97 -1.876 -5.395 17.436 830 H GLN 98 H GLN 98 -0.240 -5.262 14.167 831 HA GLN 98 HA GLN 98 0.949 -3.299 15.785 832 HB2 GLN 98 2HB GLN 98 2.285 -5.066 14.793 833 HB3 GLN 98 3HB GLN 98 1.778 -4.626 13.169 834 HG2 GLN 98 2HG GLN 98 4.093 -3.986 13.518 835 HG3 GLN 98 3HG GLN 98 3.099 -2.545 13.311 836 HE21 GLN 98 1HE2 GLN 98 4.578 -1.203 14.324 837 HE22 GLN 98 2HE2 GLN 98 4.879 -1.254 16.028 838 H LEU 99 H LEU 99 -0.114 -3.209 12.427 839 HA LEU 99 HA LEU 99 0.925 -0.648 11.800 840 HB2 LEU 99 2HB LEU 99 -0.728 -2.737 10.404 841 HB3 LEU 99 3HB LEU 99 -0.732 -1.125 9.727 842 HG LEU 99 HG LEU 99 0.920 -2.575 8.617 843 HD11 LEU 99 1HD1 LEU 99 2.805 -1.027 8.699 844 HD12 LEU 99 2HD1 LEU 99 2.148 -0.283 10.161 845 HD13 LEU 99 3HD1 LEU 99 1.259 -0.188 8.637 846 HD21 LEU 99 1HD2 LEU 99 2.996 -3.278 9.734 847 HD22 LEU 99 2HD2 LEU 99 1.590 -4.031 10.481 848 HD23 LEU 99 3HD2 LEU 99 2.386 -2.677 11.282 849 H LYS 100 H LYS 100 -2.190 -1.700 13.026 850 HA LYS 100 HA LYS 100 -3.685 0.664 12.434 851 HB2 LYS 100 2HB LYS 100 -4.892 -1.361 13.052 852 HB3 LYS 100 3HB LYS 100 -4.067 -1.449 14.605 853 HG2 LYS 100 2HG LYS 100 -5.224 0.569 15.382 854 HG3 LYS 100 3HG LYS 100 -5.989 0.782 13.809 855 HD2 LYS 100 2HD LYS 100 -6.429 -1.658 15.567 856 HD3 LYS 100 3HD LYS 100 -7.456 -0.227 15.625 857 HE2 LYS 100 2HE LYS 100 -7.014 -1.966 13.172 858 HE3 LYS 100 3HE LYS 100 -8.431 -2.016 14.221 859 HZ1 LYS 100 1HZ LYS 100 -7.550 0.299 12.588 860 HZ2 LYS 100 2HZ LYS 100 -8.866 0.306 13.642 861 HZ3 LYS 100 3HZ LYS 100 -8.880 -0.694 12.282 862 H LYS 101 H LYS 101 -1.671 -0.345 15.168 863 HA LYS 101 HA LYS 101 -2.326 1.838 16.895 864 HB2 LYS 101 2HB LYS 101 0.057 -0.057 16.997 865 HB3 LYS 101 3HB LYS 101 -0.471 0.996 18.310 866 HG2 LYS 101 2HG LYS 101 -2.613 -0.237 18.448 867 HG3 LYS 101 3HG LYS 101 -2.088 -1.292 17.129 868 HD2 LYS 101 2HD LYS 101 -0.163 -2.045 18.552 869 HD3 LYS 101 3HD LYS 101 -0.790 -1.054 19.875 870 HE2 LYS 101 2HE LYS 101 -2.873 -2.384 19.874 871 HE3 LYS 101 3HE LYS 101 -2.240 -3.370 18.554 872 HZ1 LYS 101 1HZ LYS 101 -1.980 -4.414 20.722 873 HZ2 LYS 101 2HZ LYS 101 -1.008 -3.139 21.243 874 HZ3 LYS 101 3HZ LYS 101 -0.486 -4.138 19.987 875 H ASP 102 H ASP 102 -0.032 1.475 14.301 876 HA ASP 102 HA ASP 102 1.652 3.707 14.921 877 HB2 ASP 102 2HB ASP 102 1.074 2.243 12.316 878 HB3 ASP 102 3HB ASP 102 2.197 3.598 12.399 879 H GLY 103 H GLY 103 -1.610 3.619 14.034 880 HA2 GLY 103 2HA GLY 103 -3.093 5.392 13.816 881 HA3 GLY 103 3HA GLY 103 -1.735 6.504 13.666 882 H VAL 104 H VAL 104 -2.335 3.576 11.824 883 HA VAL 104 HA VAL 104 -2.386 5.112 9.281 884 HB VAL 104 HB VAL 104 -1.474 2.229 9.819 885 HG11 VAL 104 1HG1 VAL 104 -1.366 3.813 7.226 886 HG12 VAL 104 2HG1 VAL 104 -2.402 2.422 7.559 887 HG13 VAL 104 3HG1 VAL 104 -0.652 2.221 7.489 888 HG21 VAL 104 1HG2 VAL 104 0.093 3.890 10.741 889 HG22 VAL 104 2HG2 VAL 104 0.202 4.679 9.164 890 HG23 VAL 104 3HG2 VAL 104 0.800 3.032 9.370 891 H ASP 105 H ASP 105 -4.094 4.690 7.835 892 HA ASP 105 HA ASP 105 -6.357 3.144 8.737 893 HB2 ASP 105 2HB ASP 105 -6.791 5.121 7.369 894 HB3 ASP 105 3HB ASP 105 -5.768 4.506 6.082 895 H VAL 106 H VAL 106 -6.120 1.055 8.809 896 HA VAL 106 HA VAL 106 -4.689 -0.471 6.705 897 HB VAL 106 HB VAL 106 -4.264 -2.177 8.506 898 HG11 VAL 106 1HG1 VAL 106 -3.237 0.629 9.105 899 HG12 VAL 106 2HG1 VAL 106 -2.521 -0.545 7.997 900 HG13 VAL 106 3HG1 VAL 106 -2.540 -0.869 9.728 901 HG21 VAL 106 1HG2 VAL 106 -5.396 -0.081 10.423 902 HG22 VAL 106 2HG2 VAL 106 -4.627 -1.603 10.887 903 HG23 VAL 106 3HG2 VAL 106 -6.160 -1.620 10.018 904 H ARG 107 H ARG 107 -5.569 -2.470 6.073 905 HA ARG 107 HA ARG 107 -8.208 -3.297 6.957 906 HB2 ARG 107 2HB ARG 107 -9.187 -3.131 4.651 907 HB3 ARG 107 3HB ARG 107 -8.845 -1.576 5.392 908 HG2 ARG 107 2HG ARG 107 -6.667 -1.538 4.022 909 HG3 ARG 107 3HG ARG 107 -7.320 -2.921 3.134 910 HD2 ARG 107 2HD ARG 107 -7.764 -0.816 1.942 911 HD3 ARG 107 3HD ARG 107 -9.280 -1.562 2.469 912 HE ARG 107 HE ARG 107 -8.011 0.572 4.085 913 HH11 ARG 107 1HH1 ARG 107 -10.771 -0.519 2.208 914 HH12 ARG 107 2HH1 ARG 107 -11.777 0.805 2.708 915 HH21 ARG 107 1HH2 ARG 107 -9.348 2.284 4.736 916 HH22 ARG 107 2HH2 ARG 107 -10.980 2.384 4.134 917 H VAL 108 H VAL 108 -8.543 -5.426 6.652 918 HA VAL 108 HA VAL 108 -6.714 -6.979 4.933 919 HB VAL 108 HB VAL 108 -6.632 -8.788 6.658 920 HG11 VAL 108 1HG1 VAL 108 -5.507 -6.118 7.557 921 HG12 VAL 108 2HG1 VAL 108 -4.761 -7.255 6.429 922 HG13 VAL 108 3HG1 VAL 108 -4.973 -7.705 8.119 923 HG21 VAL 108 1HG2 VAL 108 -7.877 -6.749 8.561 924 HG22 VAL 108 2HG2 VAL 108 -7.216 -8.322 9.020 925 HG23 VAL 108 3HG2 VAL 108 -8.642 -8.236 7.989 926 H THR 109 H THR 109 -7.679 -8.558 3.767 927 HA THR 109 HA THR 109 -10.142 -9.818 4.536 928 HB THR 109 HB THR 109 -11.036 -7.667 3.570 929 HG1 THR 109 HG1 THR 109 -12.318 -9.509 3.433 930 HG21 THR 109 1HG2 THR 109 -9.324 -7.236 1.832 931 HG22 THR 109 2HG2 THR 109 -10.952 -7.247 1.150 932 HG23 THR 109 3HG2 THR 109 -9.892 -8.641 0.924 933 H ASP 110 H ASP 110 -10.562 -11.678 3.312 934 HA ASP 110 HA ASP 110 -8.589 -12.425 1.227 935 HB2 ASP 110 2HB ASP 110 -8.158 -13.880 3.082 936 HB3 ASP 110 3HB ASP 110 -9.864 -14.115 3.404 937 H ASN 111 H ASN 111 -9.854 -11.536 -0.364 938 HA ASN 111 HA ASN 111 -11.360 -13.412 -1.775 939 HB2 ASN 111 2HB ASN 111 -13.572 -12.389 -1.975 940 HB3 ASN 111 3HB ASN 111 -13.259 -12.687 -0.267 941 HD21 ASN 111 1HD2 ASN 111 -12.879 -10.909 1.100 942 HD22 ASN 111 2HD2 ASN 111 -13.315 -9.303 0.647 943 H GLU 112 H GLU 112 -12.490 -12.075 -3.755 944 HA GLU 112 HA GLU 112 -10.160 -10.711 -4.964 945 HB2 GLU 112 2HB GLU 112 -10.955 -12.954 -5.813 946 HB3 GLU 112 3HB GLU 112 -12.469 -12.204 -6.305 947 HG2 GLU 112 2HG GLU 112 -11.277 -10.792 -7.900 948 HG3 GLU 112 3HG GLU 112 -9.726 -11.435 -7.357 949 H ASP 113 H ASP 113 -13.579 -10.324 -4.317 950 HA ASP 113 HA ASP 113 -14.116 -8.231 -6.239 951 HB2 ASP 113 2HB ASP 113 -15.731 -9.239 -3.855 952 HB3 ASP 113 3HB ASP 113 -16.320 -8.028 -4.989 953 H GLU 114 H GLU 114 -14.135 -8.265 -2.671 954 HA GLU 114 HA GLU 114 -14.542 -5.509 -2.295 955 HB2 GLU 114 2HB GLU 114 -14.993 -7.390 -0.625 956 HB3 GLU 114 3HB GLU 114 -13.267 -7.426 -0.288 957 HG2 GLU 114 2HG GLU 114 -14.293 -6.149 1.444 958 HG3 GLU 114 3HG GLU 114 -13.446 -4.998 0.412 959 H ALA 115 H ALA 115 -11.639 -7.438 -2.583 960 HA ALA 115 HA ALA 115 -9.592 -5.817 -1.727 961 HB1 ALA 115 1HB ALA 115 -9.296 -8.114 -2.562 962 HB2 ALA 115 2HB ALA 115 -8.185 -7.007 -3.372 963 HB3 ALA 115 3HB ALA 115 -9.636 -7.576 -4.207 964 H LYS 116 H LYS 116 -11.128 -5.837 -4.939 965 HA LYS 116 HA LYS 116 -9.546 -3.788 -6.107 966 HB2 LYS 116 2HB LYS 116 -12.256 -4.904 -6.927 967 HB3 LYS 116 3HB LYS 116 -11.262 -3.851 -7.932 968 HG2 LYS 116 2HG LYS 116 -9.464 -5.585 -7.926 969 HG3 LYS 116 3HG LYS 116 -10.529 -6.649 -6.998 970 HD2 LYS 116 2HD LYS 116 -12.160 -6.672 -8.843 971 HD3 LYS 116 3HD LYS 116 -11.166 -5.535 -9.762 972 HE2 LYS 116 2HE LYS 116 -10.833 -7.785 -10.611 973 HE3 LYS 116 3HE LYS 116 -9.345 -7.237 -9.836 974 HZ1 LYS 116 1HZ LYS 116 -9.849 -9.502 -9.234 975 HZ2 LYS 116 2HZ LYS 116 -11.369 -9.059 -8.648 976 HZ3 LYS 116 3HZ LYS 116 -9.973 -8.512 -7.866 977 H LYS 117 H LYS 117 -12.661 -3.752 -4.427 978 HA LYS 117 HA LYS 117 -13.512 -1.130 -5.167 979 HB2 LYS 117 2HB LYS 117 -14.279 -2.741 -2.690 980 HB3 LYS 117 3HB LYS 117 -15.139 -1.333 -3.309 981 HG2 LYS 117 2HG LYS 117 -15.599 -2.651 -5.423 982 HG3 LYS 117 3HG LYS 117 -14.919 -4.068 -4.606 983 HD2 LYS 117 2HD LYS 117 -16.632 -3.722 -2.764 984 HD3 LYS 117 3HD LYS 117 -17.361 -2.455 -3.755 985 HE2 LYS 117 2HE LYS 117 -18.609 -4.512 -4.018 986 HE3 LYS 117 3HE LYS 117 -17.784 -4.156 -5.536 987 HZ1 LYS 117 1HZ LYS 117 -16.829 -6.073 -3.473 988 HZ2 LYS 117 2HZ LYS 117 -16.097 -5.767 -4.971 989 HZ3 LYS 117 3HZ LYS 117 -17.624 -6.490 -4.908 990 H ARG 118 H ARG 118 -11.871 -2.434 -2.307 991 HA ARG 118 HA ARG 118 -11.702 0.080 -0.909 992 HB2 ARG 118 2HB ARG 118 -10.302 -2.555 -0.290 993 HB3 ARG 118 3HB ARG 118 -10.513 -1.201 0.817 994 HG2 ARG 118 2HG ARG 118 -12.724 -2.937 -0.321 995 HG3 ARG 118 3HG ARG 118 -12.079 -3.021 1.314 996 HD2 ARG 118 2HD ARG 118 -12.948 -0.765 1.785 997 HD3 ARG 118 3HD ARG 118 -13.538 -0.634 0.122 998 HE ARG 118 HE ARG 118 -14.561 -2.931 1.478 999 HH11 ARG 118 1HH1 ARG 118 -15.108 0.523 1.081 1000 HH12 ARG 118 2HH1 ARG 118 -16.794 0.406 1.469 1001 HH21 ARG 118 1HH2 ARG 118 -16.777 -3.069 1.838 1002 HH22 ARG 118 2HH2 ARG 118 -17.734 -1.621 1.893 1003 H LEU 119 H LEU 119 -9.706 -1.678 -3.144 1004 HA LEU 119 HA LEU 119 -7.222 -0.396 -2.776 1005 HB2 LEU 119 2HB LEU 119 -7.962 -2.429 -4.317 1006 HB3 LEU 119 3HB LEU 119 -8.271 -1.196 -5.510 1007 HG LEU 119 HG LEU 119 -6.109 -2.237 -5.931 1008 HD11 LEU 119 1HD1 LEU 119 -5.627 0.559 -4.877 1009 HD12 LEU 119 2HD1 LEU 119 -6.205 0.133 -6.488 1010 HD13 LEU 119 3HD1 LEU 119 -4.583 -0.337 -5.988 1011 HD21 LEU 119 1HD2 LEU 119 -5.230 -1.396 -3.158 1012 HD22 LEU 119 2HD2 LEU 119 -4.261 -2.248 -4.360 1013 HD23 LEU 119 3HD2 LEU 119 -5.661 -3.035 -3.640 1014 H LYS 120 H LYS 120 -9.810 0.286 -5.161 1015 HA LYS 120 HA LYS 120 -8.891 2.748 -6.131 1016 HB2 LYS 120 2HB LYS 120 -10.611 1.384 -7.270 1017 HB3 LYS 120 3HB LYS 120 -11.745 1.687 -5.958 1018 HG2 LYS 120 2HG LYS 120 -11.758 4.109 -6.530 1019 HG3 LYS 120 3HG LYS 120 -10.623 3.792 -7.845 1020 HD2 LYS 120 2HD LYS 120 -12.849 3.978 -8.774 1021 HD3 LYS 120 3HD LYS 120 -12.330 2.296 -8.906 1022 HE2 LYS 120 2HE LYS 120 -14.649 2.375 -8.201 1023 HE3 LYS 120 3HE LYS 120 -13.675 1.772 -6.859 1024 HZ1 LYS 120 1HZ LYS 120 -13.728 4.013 -5.906 1025 HZ2 LYS 120 2HZ LYS 120 -15.283 3.389 -6.101 1026 HZ3 LYS 120 3HZ LYS 120 -14.696 4.547 -7.182 1027 H GLU 121 H GLU 121 -10.989 1.984 -3.395 1028 HA GLU 121 HA GLU 121 -12.109 4.427 -2.740 1029 HB2 GLU 121 2HB GLU 121 -12.723 2.272 -1.672 1030 HB3 GLU 121 3HB GLU 121 -11.169 2.233 -0.845 1031 HG2 GLU 121 2HG GLU 121 -11.852 4.420 0.279 1032 HG3 GLU 121 3HG GLU 121 -13.463 4.162 -0.390 1033 H LEU 122 H LEU 122 -8.949 3.094 -1.781 1034 HA LEU 122 HA LEU 122 -8.299 5.265 -0.028 1035 HB2 LEU 122 2HB LEU 122 -6.509 3.080 -1.166 1036 HB3 LEU 122 3HB LEU 122 -6.015 4.244 0.057 1037 HG LEU 122 HG LEU 122 -7.990 1.962 0.337 1038 HD11 LEU 122 1HD1 LEU 122 -6.638 1.334 2.254 1039 HD12 LEU 122 2HD1 LEU 122 -5.624 2.764 2.050 1040 HD13 LEU 122 3HD1 LEU 122 -5.625 1.500 0.822 1041 HD21 LEU 122 1HD2 LEU 122 -9.184 3.827 1.271 1042 HD22 LEU 122 2HD2 LEU 122 -7.774 4.335 2.204 1043 HD23 LEU 122 3HD2 LEU 122 -8.586 2.815 2.582 1044 H LEU 123 H LEU 123 -7.541 4.508 -3.404 1045 HA LEU 123 HA LEU 123 -5.700 6.535 -3.973 1046 HB2 LEU 123 2HB LEU 123 -7.765 5.093 -5.647 1047 HB3 LEU 123 3HB LEU 123 -6.963 6.487 -6.339 1048 HG LEU 123 HG LEU 123 -5.864 4.458 -7.090 1049 HD11 LEU 123 1HD1 LEU 123 -3.546 4.939 -6.505 1050 HD12 LEU 123 2HD1 LEU 123 -4.073 5.958 -5.163 1051 HD13 LEU 123 3HD1 LEU 123 -4.456 6.413 -6.831 1052 HD21 LEU 123 1HD2 LEU 123 -5.313 3.776 -4.191 1053 HD22 LEU 123 2HD2 LEU 123 -4.683 2.914 -5.598 1054 HD23 LEU 123 3HD2 LEU 123 -6.416 2.932 -5.280 1055 H GLU 124 H GLU 124 -9.230 6.642 -3.805 1056 HA GLU 124 HA GLU 124 -9.580 9.338 -4.711 1057 HB2 GLU 124 2HB GLU 124 -11.444 7.486 -3.142 1058 HB3 GLU 124 3HB GLU 124 -11.929 9.009 -3.888 1059 HG2 GLU 124 2HG GLU 124 -11.549 8.149 -6.110 1060 HG3 GLU 124 3HG GLU 124 -10.759 6.705 -5.477 1061 H LYS 125 H LYS 125 -9.595 7.790 -1.483 1062 HA LYS 125 HA LYS 125 -10.067 10.019 0.151 1063 HB2 LYS 125 2HB LYS 125 -8.530 7.451 0.719 1064 HB3 LYS 125 3HB LYS 125 -8.877 8.649 1.960 1065 HG2 LYS 125 2HG LYS 125 -11.284 8.290 1.693 1066 HG3 LYS 125 3HG LYS 125 -10.989 7.157 0.369 1067 HD2 LYS 125 2HD LYS 125 -11.455 5.982 2.523 1068 HD3 LYS 125 3HD LYS 125 -9.857 5.607 1.880 1069 HE2 LYS 125 2HE LYS 125 -8.847 7.236 3.463 1070 HE3 LYS 125 3HE LYS 125 -10.448 7.578 4.119 1071 HZ1 LYS 125 1HZ LYS 125 -9.115 4.916 4.186 1072 HZ2 LYS 125 2HZ LYS 125 -10.607 5.313 4.876 1073 HZ3 LYS 125 3HZ LYS 125 -9.196 6.007 5.475 1074 H VAL 126 H VAL 126 -7.090 8.890 -1.310 1075 HA VAL 126 HA VAL 126 -5.392 10.660 0.229 1076 HB VAL 126 HB VAL 126 -4.765 8.874 -2.167 1077 HG11 VAL 126 1HG1 VAL 126 -2.375 9.295 -1.535 1078 HG12 VAL 126 2HG1 VAL 126 -2.919 10.556 -0.433 1079 HG13 VAL 126 3HG1 VAL 126 -3.194 10.722 -2.169 1080 HG21 VAL 126 1HG2 VAL 126 -5.346 7.658 -0.075 1081 HG22 VAL 126 2HG2 VAL 126 -4.083 8.540 0.785 1082 HG23 VAL 126 3HG2 VAL 126 -3.654 7.427 -0.518 1083 H LEU 127 H LEU 127 -6.788 10.613 -3.085 1084 HA LEU 127 HA LEU 127 -5.416 12.933 -4.004 1085 HB2 LEU 127 2HB LEU 127 -8.064 11.753 -4.916 1086 HB3 LEU 127 3HB LEU 127 -7.276 13.109 -5.712 1087 HG LEU 127 HG LEU 127 -6.273 10.244 -5.560 1088 HD11 LEU 127 1HD1 LEU 127 -7.119 11.979 -7.900 1089 HD12 LEU 127 2HD1 LEU 127 -7.987 10.594 -7.232 1090 HD13 LEU 127 3HD1 LEU 127 -6.433 10.356 -8.025 1091 HD21 LEU 127 1HD2 LEU 127 -4.333 11.701 -5.260 1092 HD22 LEU 127 2HD2 LEU 127 -4.785 12.650 -6.676 1093 HD23 LEU 127 3HD2 LEU 127 -4.299 10.963 -6.861 1094 H GLU 128 H GLU 128 -8.179 12.531 -1.932 1095 HA GLU 128 HA GLU 128 -9.232 15.123 -1.873 1096 HB2 GLU 128 2HB GLU 128 -8.934 13.052 0.334 1097 HB3 GLU 128 3HB GLU 128 -9.841 14.545 0.544 1098 HG2 GLU 128 2HG GLU 128 -11.299 13.867 -1.382 1099 HG3 GLU 128 3HG GLU 128 -10.451 12.321 -1.420 1100 H HIS 129 H HIS 129 -6.112 14.040 -0.573 1101 HA HIS 129 HA HIS 129 -5.681 16.269 1.161 1102 HB2 HIS 129 2HB HIS 129 -3.437 15.562 1.482 1103 HB3 HIS 129 3HB HIS 129 -4.299 14.063 1.205 1104 HD1 HIS 129 HD1 HIS 129 -3.033 12.493 -0.264 1105 HD2 HIS 129 HD2 HIS 129 -2.031 16.432 -1.096 1106 HE1 HIS 129 HE1 HIS 129 -1.195 12.385 -1.970 1107 HE2 HIS 129 HE2 HIS 129 -0.698 14.772 -2.528 1108 H HIS 130 H HIS 130 -4.301 18.077 0.837 1109 HA HIS 130 HA HIS 130 -4.867 19.580 -1.494 1110 HB2 HIS 130 2HB HIS 130 -4.607 20.565 0.769 1111 HB3 HIS 130 3HB HIS 130 -2.907 20.125 0.781 1112 HD1 HIS 130 HD1 HIS 130 -5.319 22.566 -0.700 1113 HD2 HIS 130 HD2 HIS 130 -1.223 21.894 -0.582 1114 HE1 HIS 130 HE1 HIS 130 -4.264 24.661 -1.591 1115 HE2 HIS 130 HE2 HIS 130 -1.799 24.196 -1.584 1116 H HIS 131 H HIS 131 -3.785 19.679 -3.403 1117 HA HIS 131 HA HIS 131 -1.370 18.073 -3.792 1118 HB2 HIS 131 2HB HIS 131 -2.950 19.658 -5.873 1119 HB3 HIS 131 3HB HIS 131 -1.789 18.372 -6.185 1120 HD1 HIS 131 HD1 HIS 131 -5.164 18.827 -6.481 1121 HD2 HIS 131 HD2 HIS 131 -2.965 15.891 -4.529 1122 HE1 HIS 131 HE1 HIS 131 -6.692 16.857 -6.295 1123 HE2 HIS 131 HE2 HIS 131 -5.367 15.117 -5.065 1124 H HIS 132 H HIS 132 0.242 19.089 -5.496 1125 HA HIS 132 HA HIS 132 0.973 21.860 -4.694 1126 HB2 HIS 132 2HB HIS 132 2.776 19.623 -5.750 1127 HB3 HIS 132 3HB HIS 132 3.300 21.267 -5.393 1128 HD1 HIS 132 HD1 HIS 132 3.958 21.772 -3.029 1129 HD2 HIS 132 HD2 HIS 132 2.039 18.108 -3.370 1130 HE1 HIS 132 HE1 HIS 132 4.201 20.681 -0.795 1131 HE2 HIS 132 HE2 HIS 132 2.765 18.631 -0.947 1132 H HIS 133 H HIS 133 1.327 23.358 -6.279 1133 HA HIS 133 HA HIS 133 1.691 22.745 -9.045 1134 HB2 HIS 133 2HB HIS 133 -0.366 23.869 -9.915 1135 HB3 HIS 133 3HB HIS 133 -0.743 22.404 -9.020 1136 HD1 HIS 133 HD1 HIS 133 -1.643 25.927 -9.254 1137 HD2 HIS 133 HD2 HIS 133 -1.754 22.998 -6.303 1138 HE1 HIS 133 HE1 HIS 133 -3.264 26.763 -7.526 1139 HE2 HIS 133 HE2 HIS 133 -3.303 24.985 -5.754 1140 H HIS 134 H HIS 134 3.015 24.255 -9.761 1141 HA HIS 134 HA HIS 134 3.083 26.946 -8.542 1142 HB2 HIS 134 2HB HIS 134 5.227 25.797 -8.336 1143 HB3 HIS 134 3HB HIS 134 5.242 25.386 -10.049 1144 HD1 HIS 134 HD1 HIS 134 5.327 28.517 -7.852 1145 HD2 HIS 134 HD2 HIS 134 6.565 27.228 -11.608 1146 HE1 HIS 134 HE1 HIS 134 6.650 30.422 -8.825 1147 HE2 HIS 134 HE2 HIS 134 7.209 29.686 -11.157 Start of MODEL 7 1 H1 MET 1 1H MET 1 -3.756 14.258 -2.038 2 H2 MET 1 2H MET 1 -3.553 13.859 -0.410 3 H3 MET 1 3H MET 1 -3.004 12.812 -1.602 4 HA MET 1 HA MET 1 -1.402 14.430 -2.345 5 HB2 MET 1 2HB MET 1 -2.454 16.006 0.047 6 HB3 MET 1 3HB MET 1 -0.972 16.405 -0.811 7 HG2 MET 1 2HG MET 1 -2.254 16.847 -2.846 8 HG3 MET 1 3HG MET 1 -3.748 16.415 -2.007 9 HE1 MET 1 1HE MET 1 -4.590 18.878 -2.951 10 HE2 MET 1 2HE MET 1 -2.980 19.287 -3.551 11 HE3 MET 1 3HE MET 1 -3.822 20.387 -2.458 12 H GLY 2 H GLY 2 0.453 13.409 -1.877 13 HA2 GLY 2 2HA GLY 2 2.203 12.433 -0.777 14 HA3 GLY 2 3HA GLY 2 1.769 13.450 0.584 15 H THR 3 H THR 3 0.787 10.445 -1.047 16 HA THR 3 HA THR 3 0.142 9.219 1.572 17 HB THR 3 HB THR 3 -1.543 9.064 -0.972 18 HG1 THR 3 HG1 THR 3 -1.635 10.658 1.295 19 HG21 THR 3 1HG2 THR 3 -3.153 7.774 0.409 20 HG22 THR 3 2HG2 THR 3 -2.006 7.772 1.746 21 HG23 THR 3 3HG2 THR 3 -1.617 6.917 0.251 22 H VAL 4 H VAL 4 1.129 7.318 1.846 23 HA VAL 4 HA VAL 4 2.264 5.872 -0.468 24 HB VAL 4 HB VAL 4 3.070 5.641 2.475 25 HG11 VAL 4 1HG1 VAL 4 4.403 4.548 -0.034 26 HG12 VAL 4 2HG1 VAL 4 3.540 3.599 1.179 27 HG13 VAL 4 3HG1 VAL 4 5.040 4.422 1.606 28 HG21 VAL 4 1HG2 VAL 4 4.458 7.154 0.232 29 HG22 VAL 4 2HG2 VAL 4 5.083 6.933 1.868 30 HG23 VAL 4 3HG2 VAL 4 3.616 7.877 1.607 31 H VAL 5 H VAL 5 0.910 4.330 -1.085 32 HA VAL 5 HA VAL 5 -0.698 2.771 0.799 33 HB VAL 5 HB VAL 5 -0.736 2.731 -2.261 34 HG11 VAL 5 1HG1 VAL 5 -2.899 1.552 -2.024 35 HG12 VAL 5 2HG1 VAL 5 -2.703 1.530 -0.270 36 HG13 VAL 5 3HG1 VAL 5 -1.580 0.632 -1.294 37 HG21 VAL 5 1HG2 VAL 5 -2.619 4.190 -0.358 38 HG22 VAL 5 2HG2 VAL 5 -2.797 4.092 -2.112 39 HG23 VAL 5 3HG2 VAL 5 -1.420 4.945 -1.414 40 H ILE 6 H ILE 6 0.317 1.028 1.630 41 HA ILE 6 HA ILE 6 2.284 -0.508 0.052 42 HB ILE 6 HB ILE 6 1.655 -0.669 3.048 43 HG12 ILE 6 2HG1 ILE 6 2.682 1.505 2.549 44 HG13 ILE 6 3HG1 ILE 6 3.863 0.492 3.367 45 HG21 ILE 6 1HG2 ILE 6 3.742 -1.998 3.216 46 HG22 ILE 6 2HG2 ILE 6 3.923 -1.949 1.462 47 HG23 ILE 6 3HG2 ILE 6 2.552 -2.794 2.184 48 HD11 ILE 6 1HD1 ILE 6 3.758 1.076 0.405 49 HD12 ILE 6 2HD1 ILE 6 4.934 0.020 1.195 50 HD13 ILE 6 3HD1 ILE 6 4.895 1.740 1.576 51 H VAL 7 H VAL 7 1.365 -2.089 -1.065 52 HA VAL 7 HA VAL 7 -1.035 -3.494 -0.100 53 HB VAL 7 HB VAL 7 0.232 -3.507 -2.884 54 HG11 VAL 7 1HG1 VAL 7 -1.841 -4.628 -3.618 55 HG12 VAL 7 2HG1 VAL 7 -2.423 -4.667 -1.953 56 HG13 VAL 7 3HG1 VAL 7 -0.993 -5.595 -2.409 57 HG21 VAL 7 1HG2 VAL 7 -2.251 -2.047 -1.897 58 HG22 VAL 7 2HG2 VAL 7 -1.683 -2.101 -3.569 59 HG23 VAL 7 3HG2 VAL 7 -0.710 -1.300 -2.334 60 H VAL 8 H VAL 8 -0.593 -5.250 1.034 61 HA VAL 8 HA VAL 8 1.771 -6.939 0.467 62 HB VAL 8 HB VAL 8 0.084 -6.716 3.007 63 HG11 VAL 8 1HG1 VAL 8 2.598 -8.355 2.532 64 HG12 VAL 8 2HG1 VAL 8 0.968 -8.985 2.776 65 HG13 VAL 8 3HG1 VAL 8 1.794 -8.146 4.090 66 HG21 VAL 8 1HG2 VAL 8 1.442 -4.695 2.668 67 HG22 VAL 8 2HG2 VAL 8 2.897 -5.677 2.488 68 HG23 VAL 8 3HG2 VAL 8 2.057 -5.624 4.039 69 H SER 9 H SER 9 1.143 -8.585 -0.867 70 HA SER 9 HA SER 9 -1.047 -10.341 0.018 71 HB2 SER 9 2HB SER 9 -2.043 -8.907 -1.751 72 HB3 SER 9 3HB SER 9 -0.762 -9.391 -2.866 73 HG SER 9 HG SER 9 -2.775 -11.011 -1.696 74 H ARG 10 H ARG 10 -0.589 -12.497 -0.260 75 HA ARG 10 HA ARG 10 2.186 -13.179 -0.738 76 HB2 ARG 10 2HB ARG 10 0.867 -14.126 1.130 77 HB3 ARG 10 3HB ARG 10 -0.222 -14.898 -0.013 78 HG2 ARG 10 2HG ARG 10 1.646 -16.332 -0.803 79 HG3 ARG 10 3HG ARG 10 2.722 -15.561 0.368 80 HD2 ARG 10 2HD ARG 10 0.260 -17.235 0.974 81 HD3 ARG 10 3HD ARG 10 1.941 -17.669 1.295 82 HE ARG 10 HE ARG 10 1.916 -15.630 2.832 83 HH11 ARG 10 1HH1 ARG 10 -0.978 -17.592 2.336 84 HH12 ARG 10 2HH1 ARG 10 -1.644 -17.190 3.881 85 HH21 ARG 10 1HH2 ARG 10 1.006 -15.114 4.824 86 HH22 ARG 10 2HH2 ARG 10 -0.520 -15.792 5.288 87 H ASP 11 H ASP 11 -0.798 -13.372 -2.496 88 HA ASP 11 HA ASP 11 0.227 -15.251 -4.522 89 HB2 ASP 11 2HB ASP 11 -2.034 -15.650 -3.638 90 HB3 ASP 11 3HB ASP 11 -2.532 -14.021 -4.070 91 H GLU 12 H GLU 12 1.074 -14.512 -6.418 92 HA GLU 12 HA GLU 12 1.684 -11.835 -6.955 93 HB2 GLU 12 2HB GLU 12 1.569 -14.147 -8.943 94 HB3 GLU 12 3HB GLU 12 2.340 -12.594 -9.243 95 HG2 GLU 12 2HG GLU 12 3.861 -13.079 -7.292 96 HG3 GLU 12 3HG GLU 12 3.187 -14.709 -7.264 97 H ARG 13 H ARG 13 -0.986 -13.818 -8.126 98 HA ARG 13 HA ARG 13 -1.813 -12.174 -10.267 99 HB2 ARG 13 2HB ARG 13 -3.425 -14.203 -8.673 100 HB3 ARG 13 3HB ARG 13 -3.951 -13.477 -10.186 101 HG2 ARG 13 2HG ARG 13 -1.517 -15.254 -9.832 102 HG3 ARG 13 3HG ARG 13 -3.063 -15.744 -10.529 103 HD2 ARG 13 2HD ARG 13 -2.742 -14.077 -12.349 104 HD3 ARG 13 3HD ARG 13 -1.177 -13.642 -11.655 105 HE ARG 13 HE ARG 13 -1.415 -16.443 -12.268 106 HH11 ARG 13 1HH1 ARG 13 -0.626 -13.278 -13.637 107 HH12 ARG 13 2HH1 ARG 13 0.332 -13.955 -14.921 108 HH21 ARG 13 1HH2 ARG 13 -0.194 -17.295 -13.961 109 HH22 ARG 13 2HH2 ARG 13 0.575 -16.235 -15.100 110 H ILE 14 H ILE 14 -2.652 -12.140 -6.820 111 HA ILE 14 HA ILE 14 -4.814 -10.305 -6.991 112 HB ILE 14 HB ILE 14 -2.938 -10.852 -4.640 113 HG12 ILE 14 2HG1 ILE 14 -5.724 -11.964 -5.258 114 HG13 ILE 14 3HG1 ILE 14 -4.217 -12.857 -5.398 115 HG21 ILE 14 1HG2 ILE 14 -4.047 -8.661 -4.353 116 HG22 ILE 14 2HG2 ILE 14 -4.683 -9.832 -3.198 117 HG23 ILE 14 3HG2 ILE 14 -5.624 -9.408 -4.630 118 HD11 ILE 14 1HD1 ILE 14 -5.420 -11.807 -2.836 119 HD12 ILE 14 2HD1 ILE 14 -3.898 -12.692 -2.974 120 HD13 ILE 14 3HD1 ILE 14 -5.417 -13.481 -3.396 121 H LEU 15 H LEU 15 -1.272 -9.793 -6.548 122 HA LEU 15 HA LEU 15 -1.289 -7.005 -6.133 123 HB2 LEU 15 2HB LEU 15 0.873 -8.724 -7.415 124 HB3 LEU 15 3HB LEU 15 1.083 -7.012 -7.110 125 HG LEU 15 HG LEU 15 2.222 -8.059 -5.342 126 HD11 LEU 15 1HD1 LEU 15 -0.476 -7.385 -4.142 127 HD12 LEU 15 2HD1 LEU 15 0.811 -6.239 -4.518 128 HD13 LEU 15 3HD1 LEU 15 1.069 -7.471 -3.287 129 HD21 LEU 15 1HD2 LEU 15 1.437 -10.335 -5.653 130 HD22 LEU 15 2HD2 LEU 15 -0.111 -9.933 -4.905 131 HD23 LEU 15 3HD2 LEU 15 1.375 -9.879 -3.952 132 H GLU 16 H GLU 16 -1.087 -8.839 -9.192 133 HA GLU 16 HA GLU 16 -0.701 -6.522 -10.839 134 HB2 GLU 16 2HB GLU 16 -0.885 -8.037 -12.756 135 HB3 GLU 16 3HB GLU 16 0.158 -8.729 -11.520 136 HG2 GLU 16 2HG GLU 16 -1.654 -10.221 -10.796 137 HG3 GLU 16 3HG GLU 16 -2.730 -9.513 -11.998 138 H GLU 17 H GLU 17 -3.573 -8.320 -9.788 139 HA GLU 17 HA GLU 17 -5.440 -7.062 -11.549 140 HB2 GLU 17 2HB GLU 17 -5.875 -8.329 -8.808 141 HB3 GLU 17 3HB GLU 17 -7.184 -7.750 -9.833 142 HG2 GLU 17 2HG GLU 17 -5.282 -10.031 -10.400 143 HG3 GLU 17 3HG GLU 17 -7.013 -10.130 -10.089 144 H LEU 18 H LEU 18 -4.204 -6.278 -8.331 145 HA LEU 18 HA LEU 18 -5.846 -3.986 -7.898 146 HB2 LEU 18 2HB LEU 18 -3.252 -4.881 -6.584 147 HB3 LEU 18 3HB LEU 18 -4.217 -3.520 -6.022 148 HG LEU 18 HG LEU 18 -5.152 -6.421 -6.114 149 HD11 LEU 18 1HD1 LEU 18 -5.124 -6.343 -3.662 150 HD12 LEU 18 2HD1 LEU 18 -4.449 -4.712 -3.711 151 HD13 LEU 18 3HD1 LEU 18 -3.514 -6.074 -4.333 152 HD21 LEU 18 1HD2 LEU 18 -6.591 -3.966 -5.076 153 HD22 LEU 18 2HD2 LEU 18 -7.157 -5.634 -4.952 154 HD23 LEU 18 3HD2 LEU 18 -6.996 -4.878 -6.533 155 H LEU 19 H LEU 19 -2.677 -4.490 -9.367 156 HA LEU 19 HA LEU 19 -1.838 -1.830 -9.694 157 HB2 LEU 19 2HB LEU 19 -0.322 -3.696 -10.119 158 HB3 LEU 19 3HB LEU 19 -1.331 -4.274 -11.436 159 HG LEU 19 HG LEU 19 -0.764 -2.217 -12.753 160 HD11 LEU 19 1HD1 LEU 19 1.132 -1.552 -10.479 161 HD12 LEU 19 2HD1 LEU 19 -0.309 -0.644 -10.946 162 HD13 LEU 19 3HD1 LEU 19 1.064 -0.735 -12.045 163 HD21 LEU 19 1HD2 LEU 19 1.658 -3.799 -11.838 164 HD22 LEU 19 2HD2 LEU 19 1.548 -2.831 -13.311 165 HD23 LEU 19 3HD2 LEU 19 0.531 -4.257 -13.119 166 H GLU 20 H GLU 20 -3.817 -3.921 -11.779 167 HA GLU 20 HA GLU 20 -4.364 -2.173 -13.869 168 HB2 GLU 20 2HB GLU 20 -5.921 -4.472 -12.656 169 HB3 GLU 20 3HB GLU 20 -6.608 -3.546 -13.984 170 HG2 GLU 20 2HG GLU 20 -3.914 -4.926 -14.127 171 HG3 GLU 20 3HG GLU 20 -5.421 -5.673 -14.644 172 H VAL 21 H VAL 21 -6.104 -2.564 -10.779 173 HA VAL 21 HA VAL 21 -8.283 -0.876 -11.276 174 HB VAL 21 HB VAL 21 -6.962 -1.383 -8.571 175 HG11 VAL 21 1HG1 VAL 21 -9.201 -0.927 -7.604 176 HG12 VAL 21 2HG1 VAL 21 -9.812 -0.511 -9.205 177 HG13 VAL 21 3HG1 VAL 21 -8.563 0.483 -8.456 178 HG21 VAL 21 1HG2 VAL 21 -9.173 -2.957 -9.934 179 HG22 VAL 21 2HG2 VAL 21 -8.529 -3.248 -8.316 180 HG23 VAL 21 3HG2 VAL 21 -7.504 -3.484 -9.727 181 H VAL 22 H VAL 22 -5.076 -0.142 -9.898 182 HA VAL 22 HA VAL 22 -5.537 2.554 -9.194 183 HB VAL 22 HB VAL 22 -2.841 1.467 -10.143 184 HG11 VAL 22 1HG1 VAL 22 -2.920 3.906 -9.878 185 HG12 VAL 22 2HG1 VAL 22 -1.913 3.194 -8.620 186 HG13 VAL 22 3HG1 VAL 22 -3.547 3.735 -8.236 187 HG21 VAL 22 1HG2 VAL 22 -3.733 -0.050 -8.423 188 HG22 VAL 22 2HG2 VAL 22 -3.973 1.311 -7.330 189 HG23 VAL 22 3HG2 VAL 22 -2.342 0.848 -7.821 190 H LEU 23 H LEU 23 -4.344 1.045 -12.185 191 HA LEU 23 HA LEU 23 -3.680 3.441 -13.568 192 HB2 LEU 23 2HB LEU 23 -4.278 0.668 -14.665 193 HB3 LEU 23 3HB LEU 23 -3.526 1.970 -15.577 194 HG LEU 23 HG LEU 23 -2.312 0.631 -13.125 195 HD11 LEU 23 1HD1 LEU 23 -2.367 -0.899 -15.025 196 HD12 LEU 23 2HD1 LEU 23 -0.716 -0.405 -14.664 197 HD13 LEU 23 3HD1 LEU 23 -1.563 0.301 -16.044 198 HD21 LEU 23 1HD2 LEU 23 -1.102 2.711 -14.981 199 HD22 LEU 23 2HD2 LEU 23 -0.251 1.863 -13.685 200 HD23 LEU 23 3HD2 LEU 23 -1.577 2.958 -13.297 201 H LYS 24 H LYS 24 -6.690 1.552 -13.361 202 HA LYS 24 HA LYS 24 -8.024 2.922 -15.534 203 HB2 LYS 24 2HB LYS 24 -9.486 1.461 -13.294 204 HB3 LYS 24 3HB LYS 24 -10.022 1.729 -14.944 205 HG2 LYS 24 2HG LYS 24 -7.928 -0.208 -13.969 206 HG3 LYS 24 3HG LYS 24 -9.495 -0.591 -14.667 207 HD2 LYS 24 2HD LYS 24 -8.735 0.210 -16.870 208 HD3 LYS 24 3HD LYS 24 -7.187 0.712 -16.176 209 HE2 LYS 24 2HE LYS 24 -6.697 -1.645 -15.588 210 HE3 LYS 24 3HE LYS 24 -8.233 -2.141 -16.298 211 HZ1 LYS 24 1HZ LYS 24 -7.477 -1.491 -18.441 212 HZ2 LYS 24 2HZ LYS 24 -6.277 -2.466 -17.749 213 HZ3 LYS 24 3HZ LYS 24 -6.074 -0.790 -17.815 214 H SER 25 H SER 25 -7.809 3.276 -12.034 215 HA SER 25 HA SER 25 -9.805 5.290 -11.697 216 HB2 SER 25 2HB SER 25 -7.463 4.487 -9.920 217 HB3 SER 25 3HB SER 25 -8.760 5.578 -9.431 218 HG SER 25 HG SER 25 -8.776 2.819 -9.795 219 H ASP 26 H ASP 26 -6.259 5.577 -11.269 220 HA ASP 26 HA ASP 26 -6.193 8.034 -12.875 221 HB2 ASP 26 2HB ASP 26 -6.398 8.706 -10.451 222 HB3 ASP 26 3HB ASP 26 -4.925 7.826 -10.099 223 HA PRO 27 HA PRO 27 -2.807 5.307 -14.294 224 HB2 PRO 27 2HB PRO 27 -2.310 6.519 -16.679 225 HB3 PRO 27 3HB PRO 27 -3.786 5.567 -16.411 226 HG2 PRO 27 2HG PRO 27 -3.434 8.553 -16.276 227 HG3 PRO 27 3HG PRO 27 -4.696 7.613 -17.109 228 HD2 PRO 27 2HD PRO 27 -5.104 8.730 -14.657 229 HD3 PRO 27 3HD PRO 27 -5.880 7.204 -15.143 230 H ASN 28 H ASN 28 -2.633 8.595 -13.414 231 HA ASN 28 HA ASN 28 0.175 9.028 -14.071 232 HB2 ASN 28 2HB ASN 28 -1.859 10.783 -12.619 233 HB3 ASN 28 3HB ASN 28 -0.239 11.295 -13.087 234 HD21 ASN 28 1HD2 ASN 28 0.166 11.821 -15.238 235 HD22 ASN 28 2HD2 ASN 28 -1.078 11.944 -16.431 236 H VAL 29 H VAL 29 -1.473 7.533 -11.550 237 HA VAL 29 HA VAL 29 0.007 8.324 -9.269 238 HB VAL 29 HB VAL 29 -1.428 5.686 -9.833 239 HG11 VAL 29 1HG1 VAL 29 -1.443 5.316 -7.385 240 HG12 VAL 29 2HG1 VAL 29 -0.471 6.768 -7.147 241 HG13 VAL 29 3HG1 VAL 29 0.212 5.383 -7.998 242 HG21 VAL 29 1HG2 VAL 29 -2.888 7.656 -9.920 243 HG22 VAL 29 2HG2 VAL 29 -2.359 8.129 -8.306 244 HG23 VAL 29 3HG2 VAL 29 -3.262 6.632 -8.536 245 H LYS 30 H LYS 30 2.014 7.873 -8.675 246 HA LYS 30 HA LYS 30 3.877 6.304 -10.101 247 HB2 LYS 30 2HB LYS 30 4.601 8.172 -8.739 248 HB3 LYS 30 3HB LYS 30 3.835 7.512 -7.301 249 HG2 LYS 30 2HG LYS 30 6.261 7.314 -7.177 250 HG3 LYS 30 3HG LYS 30 5.505 5.719 -7.209 251 HD2 LYS 30 2HD LYS 30 6.082 5.501 -9.610 252 HD3 LYS 30 3HD LYS 30 6.830 7.104 -9.573 253 HE2 LYS 30 2HE LYS 30 8.457 6.293 -7.889 254 HE3 LYS 30 3HE LYS 30 7.711 4.697 -7.948 255 HZ1 LYS 30 1HZ LYS 30 9.097 6.070 -10.181 256 HZ2 LYS 30 2HZ LYS 30 8.309 4.586 -10.308 257 HZ3 LYS 30 3HZ LYS 30 9.660 4.738 -9.310 258 H THR 31 H THR 31 3.650 4.105 -10.270 259 HA THR 31 HA THR 31 3.031 2.513 -7.844 260 HB THR 31 HB THR 31 1.875 0.841 -9.364 261 HG1 THR 31 HG1 THR 31 1.416 2.847 -11.255 262 HG21 THR 31 1HG2 THR 31 0.528 3.562 -9.307 263 HG22 THR 31 2HG2 THR 31 0.560 2.420 -7.962 264 HG23 THR 31 3HG2 THR 31 -0.265 1.995 -9.462 265 H VAL 32 H VAL 32 4.288 0.798 -7.485 266 HA VAL 32 HA VAL 32 6.191 -0.201 -9.507 267 HB VAL 32 HB VAL 32 7.123 0.739 -6.731 268 HG11 VAL 32 1HG1 VAL 32 8.757 -0.413 -9.020 269 HG12 VAL 32 2HG1 VAL 32 8.375 -1.219 -7.495 270 HG13 VAL 32 3HG1 VAL 32 9.411 0.209 -7.500 271 HG21 VAL 32 1HG2 VAL 32 6.725 2.697 -8.152 272 HG22 VAL 32 2HG2 VAL 32 7.751 2.015 -9.414 273 HG23 VAL 32 3HG2 VAL 32 8.455 2.480 -7.863 274 H ARG 33 H ARG 33 6.571 -2.419 -9.218 275 HA ARG 33 HA ARG 33 5.660 -3.665 -6.684 276 HB2 ARG 33 2HB ARG 33 4.495 -4.662 -8.617 277 HB3 ARG 33 3HB ARG 33 6.032 -4.965 -9.424 278 HG2 ARG 33 2HG ARG 33 6.671 -6.482 -7.524 279 HG3 ARG 33 3HG ARG 33 5.058 -6.262 -6.856 280 HD2 ARG 33 2HD ARG 33 4.049 -7.421 -8.710 281 HD3 ARG 33 3HD ARG 33 5.573 -7.416 -9.615 282 HE ARG 33 HE ARG 33 6.093 -8.689 -7.206 283 HH11 ARG 33 1HH1 ARG 33 4.037 -9.337 -9.992 284 HH12 ARG 33 2HH1 ARG 33 4.114 -11.057 -9.794 285 HH21 ARG 33 1HH2 ARG 33 6.269 -10.922 -7.009 286 HH22 ARG 33 2HH2 ARG 33 5.390 -11.963 -8.093 287 H THR 34 H THR 34 7.537 -3.124 -5.571 288 HA THR 34 HA THR 34 9.923 -4.716 -6.312 289 HB THR 34 HB THR 34 10.595 -2.416 -6.500 290 HG1 THR 34 HG1 THR 34 12.221 -3.504 -5.560 291 HG21 THR 34 1HG2 THR 34 8.846 -1.274 -5.216 292 HG22 THR 34 2HG2 THR 34 10.443 -0.774 -4.651 293 HG23 THR 34 3HG2 THR 34 9.497 -1.928 -3.712 294 H ASP 35 H ASP 35 10.386 -6.287 -4.929 295 HA ASP 35 HA ASP 35 9.062 -6.485 -2.329 296 HB2 ASP 35 2HB ASP 35 10.121 -8.763 -2.217 297 HB3 ASP 35 3HB ASP 35 9.099 -8.527 -3.625 298 H ASP 36 H ASP 36 11.917 -5.143 -3.501 299 HA ASP 36 HA ASP 36 13.534 -5.545 -1.113 300 HB2 ASP 36 2HB ASP 36 14.525 -5.274 -3.431 301 HB3 ASP 36 3HB ASP 36 13.974 -3.601 -3.434 302 H LYS 37 H LYS 37 13.059 -4.462 0.685 303 HA LYS 37 HA LYS 37 11.075 -2.493 0.916 304 HB2 LYS 37 2HB LYS 37 11.552 -2.393 3.275 305 HB3 LYS 37 3HB LYS 37 11.725 -4.061 2.764 306 HG2 LYS 37 2HG LYS 37 14.069 -2.180 3.168 307 HG3 LYS 37 3HG LYS 37 13.438 -3.241 4.426 308 HD2 LYS 37 2HD LYS 37 13.957 -5.211 2.986 309 HD3 LYS 37 3HD LYS 37 14.628 -4.122 1.769 310 HE2 LYS 37 2HE LYS 37 16.356 -3.390 3.367 311 HE3 LYS 37 3HE LYS 37 15.675 -4.449 4.605 312 HZ1 LYS 37 1HZ LYS 37 17.600 -5.423 3.494 313 HZ2 LYS 37 2HZ LYS 37 16.795 -5.365 2.010 314 HZ3 LYS 37 3HZ LYS 37 16.208 -6.349 3.255 315 H GLU 38 H GLU 38 14.561 -2.138 0.527 316 HA GLU 38 HA GLU 38 14.691 0.612 1.388 317 HB2 GLU 38 2HB GLU 38 16.695 -1.013 -0.235 318 HB3 GLU 38 3HB GLU 38 17.013 0.554 0.498 319 HG2 GLU 38 2HG GLU 38 16.454 -2.044 1.945 320 HG3 GLU 38 3HG GLU 38 18.002 -1.209 1.826 321 H LYS 39 H LYS 39 14.371 -1.094 -1.685 322 HA LYS 39 HA LYS 39 14.605 1.159 -3.397 323 HB2 LYS 39 2HB LYS 39 14.883 -1.131 -4.243 324 HB3 LYS 39 3HB LYS 39 13.212 -1.519 -3.847 325 HG2 LYS 39 2HG LYS 39 13.562 -1.113 -6.278 326 HG3 LYS 39 3HG LYS 39 12.393 0.004 -5.569 327 HD2 LYS 39 2HD LYS 39 14.130 1.761 -5.460 328 HD3 LYS 39 3HD LYS 39 15.315 0.646 -6.140 329 HE2 LYS 39 2HE LYS 39 14.198 0.622 -8.262 330 HE3 LYS 39 3HE LYS 39 12.776 1.437 -7.599 331 HZ1 LYS 39 1HZ LYS 39 14.019 3.424 -7.297 332 HZ2 LYS 39 2HZ LYS 39 14.282 2.903 -8.887 333 HZ3 LYS 39 3HZ LYS 39 15.475 2.668 -7.710 334 H VAL 40 H VAL 40 11.812 -0.412 -1.803 335 HA VAL 40 HA VAL 40 9.696 1.125 -2.753 336 HB VAL 40 HB VAL 40 10.069 0.250 0.158 337 HG11 VAL 40 1HG1 VAL 40 7.596 0.277 0.288 338 HG12 VAL 40 2HG1 VAL 40 7.516 0.901 -1.358 339 HG13 VAL 40 3HG1 VAL 40 8.247 1.876 -0.084 340 HG21 VAL 40 1HG2 VAL 40 8.777 -1.306 -2.111 341 HG22 VAL 40 2HG2 VAL 40 8.811 -1.793 -0.415 342 HG23 VAL 40 3HG2 VAL 40 10.312 -1.685 -1.331 343 H LYS 41 H LYS 41 11.980 1.799 -0.125 344 HA LYS 41 HA LYS 41 10.897 4.234 0.799 345 HB2 LYS 41 2HB LYS 41 13.738 3.158 0.999 346 HB3 LYS 41 3HB LYS 41 13.114 4.524 1.927 347 HG2 LYS 41 2HG LYS 41 11.516 3.095 3.070 348 HG3 LYS 41 3HG LYS 41 11.975 1.717 2.066 349 HD2 LYS 41 2HD LYS 41 14.285 1.835 3.024 350 HD3 LYS 41 3HD LYS 41 13.752 3.149 4.078 351 HE2 LYS 41 2HE LYS 41 12.127 1.635 5.148 352 HE3 LYS 41 3HE LYS 41 12.641 0.323 4.081 353 HZ1 LYS 41 1HZ LYS 41 14.863 0.492 5.029 354 HZ2 LYS 41 2HZ LYS 41 13.712 0.162 6.217 355 HZ3 LYS 41 3HZ LYS 41 14.346 1.718 6.070 356 H GLU 42 H GLU 42 13.298 3.551 -1.737 357 HA GLU 42 HA GLU 42 14.081 6.199 -2.356 358 HB2 GLU 42 2HB GLU 42 13.778 3.797 -4.212 359 HB3 GLU 42 3HB GLU 42 14.507 5.323 -4.696 360 HG2 GLU 42 2HG GLU 42 16.279 4.985 -2.975 361 HG3 GLU 42 3HG GLU 42 15.563 3.417 -2.591 362 H GLU 43 H GLU 43 11.430 4.178 -3.577 363 HA GLU 43 HA GLU 43 10.422 6.082 -5.423 364 HB2 GLU 43 2HB GLU 43 8.848 3.789 -4.186 365 HB3 GLU 43 3HB GLU 43 8.575 4.557 -5.743 366 HG2 GLU 43 2HG GLU 43 10.889 2.767 -4.978 367 HG3 GLU 43 3HG GLU 43 9.573 2.374 -6.068 368 H ILE 44 H ILE 44 9.784 5.510 -2.007 369 HA ILE 44 HA ILE 44 7.368 6.956 -1.709 370 HB ILE 44 HB ILE 44 9.540 6.275 0.327 371 HG12 ILE 44 2HG1 ILE 44 6.754 5.081 -0.082 372 HG13 ILE 44 3HG1 ILE 44 8.260 4.334 -0.598 373 HG21 ILE 44 1HG2 ILE 44 8.405 8.281 1.154 374 HG22 ILE 44 2HG2 ILE 44 7.915 6.890 2.119 375 HG23 ILE 44 3HG2 ILE 44 6.827 7.535 0.890 376 HD11 ILE 44 1HD1 ILE 44 8.963 4.166 1.753 377 HD12 ILE 44 2HD1 ILE 44 7.460 3.306 1.426 378 HD13 ILE 44 3HD1 ILE 44 7.418 4.864 2.251 379 H GLU 45 H GLU 45 10.795 7.950 -1.099 380 HA GLU 45 HA GLU 45 10.161 10.619 -0.369 381 HB2 GLU 45 2HB GLU 45 12.571 11.139 -0.677 382 HB3 GLU 45 3HB GLU 45 12.312 9.698 0.298 383 HG2 GLU 45 2HG GLU 45 13.007 8.247 -1.461 384 HG3 GLU 45 3HG GLU 45 12.917 9.530 -2.662 385 H LYS 46 H LYS 46 10.849 9.140 -3.494 386 HA LYS 46 HA LYS 46 11.069 11.551 -5.002 387 HB2 LYS 46 2HB LYS 46 10.342 8.720 -5.864 388 HB3 LYS 46 3HB LYS 46 10.689 10.037 -6.983 389 HG2 LYS 46 2HG LYS 46 12.990 10.193 -6.160 390 HG3 LYS 46 3HG LYS 46 12.656 8.984 -4.920 391 HD2 LYS 46 2HD LYS 46 13.870 7.908 -6.714 392 HD3 LYS 46 3HD LYS 46 12.212 7.307 -6.739 393 HE2 LYS 46 2HE LYS 46 12.984 7.739 -9.011 394 HE3 LYS 46 3HE LYS 46 11.702 8.878 -8.600 395 HZ1 LYS 46 1HZ LYS 46 14.622 9.440 -8.576 396 HZ2 LYS 46 2HZ LYS 46 13.419 10.539 -8.133 397 HZ3 LYS 46 3HZ LYS 46 13.512 9.988 -9.727 398 H ALA 47 H ALA 47 8.311 9.424 -4.197 399 HA ALA 47 HA ALA 47 6.380 10.914 -5.744 400 HB1 ALA 47 1HB ALA 47 6.094 8.518 -5.307 401 HB2 ALA 47 2HB ALA 47 4.712 9.441 -4.714 402 HB3 ALA 47 3HB ALA 47 5.927 8.834 -3.581 403 H ARG 48 H ARG 48 7.642 11.122 -2.517 404 HA ARG 48 HA ARG 48 5.667 12.539 -1.131 405 HB2 ARG 48 2HB ARG 48 7.614 11.541 -0.032 406 HB3 ARG 48 3HB ARG 48 8.705 12.610 -0.903 407 HG2 ARG 48 2HG ARG 48 7.770 14.554 0.333 408 HG3 ARG 48 3HG ARG 48 6.704 13.463 1.220 409 HD2 ARG 48 2HD ARG 48 8.682 12.288 2.143 410 HD3 ARG 48 3HD ARG 48 9.740 13.397 1.263 411 HE ARG 48 HE ARG 48 7.989 14.878 2.911 412 HH11 ARG 48 1HH1 ARG 48 10.778 12.741 3.195 413 HH12 ARG 48 2HH1 ARG 48 11.320 13.451 4.683 414 HH21 ARG 48 1HH2 ARG 48 8.673 15.762 4.887 415 HH22 ARG 48 2HH2 ARG 48 10.117 15.174 5.650 416 H LYS 49 H LYS 49 8.471 13.769 -2.957 417 HA LYS 49 HA LYS 49 7.791 16.543 -2.643 418 HB2 LYS 49 2HB LYS 49 9.685 16.970 -4.155 419 HB3 LYS 49 3HB LYS 49 10.113 15.848 -2.872 420 HG2 LYS 49 2HG LYS 49 9.817 13.955 -4.495 421 HG3 LYS 49 3HG LYS 49 9.560 15.146 -5.771 422 HD2 LYS 49 2HD LYS 49 12.086 14.843 -4.094 423 HD3 LYS 49 3HD LYS 49 11.893 14.334 -5.772 424 HE2 LYS 49 2HE LYS 49 11.573 16.675 -6.465 425 HE3 LYS 49 3HE LYS 49 11.697 17.202 -4.784 426 HZ1 LYS 49 1HZ LYS 49 13.773 17.534 -5.913 427 HZ2 LYS 49 2HZ LYS 49 13.841 15.912 -6.381 428 HZ3 LYS 49 3HZ LYS 49 13.968 16.326 -4.747 429 H GLN 50 H GLN 50 6.873 14.097 -4.911 430 HA GLN 50 HA GLN 50 5.805 15.874 -6.929 431 HB2 GLN 50 2HB GLN 50 5.326 12.919 -6.360 432 HB3 GLN 50 3HB GLN 50 4.617 13.781 -7.725 433 HG2 GLN 50 2HG GLN 50 6.863 14.268 -8.607 434 HG3 GLN 50 3HG GLN 50 7.588 13.430 -7.233 435 HE21 GLN 50 1HE2 GLN 50 7.465 11.171 -7.148 436 HE22 GLN 50 2HE2 GLN 50 7.054 10.212 -8.518 437 H GLY 51 H GLY 51 4.699 14.525 -3.903 438 HA2 GLY 51 2HA GLY 51 2.907 15.048 -2.572 439 HA3 GLY 51 3HA GLY 51 2.465 16.301 -3.719 440 H ARG 52 H ARG 52 2.756 13.256 -5.186 441 HA ARG 52 HA ARG 52 -0.178 12.991 -5.403 442 HB2 ARG 52 2HB ARG 52 0.252 11.750 -7.470 443 HB3 ARG 52 3HB ARG 52 1.078 13.299 -7.520 444 HG2 ARG 52 2HG ARG 52 3.223 12.165 -7.000 445 HG3 ARG 52 3HG ARG 52 2.382 10.611 -6.974 446 HD2 ARG 52 2HD ARG 52 3.543 11.029 -9.137 447 HD3 ARG 52 3HD ARG 52 1.797 10.838 -9.338 448 HE ARG 52 HE ARG 52 3.059 13.515 -9.196 449 HH11 ARG 52 1HH1 ARG 52 1.049 11.240 -10.974 450 HH12 ARG 52 2HH1 ARG 52 0.572 12.417 -12.155 451 HH21 ARG 52 1HH2 ARG 52 2.396 15.033 -10.736 452 HH22 ARG 52 2HH2 ARG 52 1.333 14.559 -12.021 453 HA PRO 53 HA PRO 53 -0.170 9.014 -3.256 454 HB2 PRO 53 2HB PRO 53 -1.782 7.416 -4.872 455 HB3 PRO 53 3HB PRO 53 -2.411 8.639 -3.752 456 HG2 PRO 53 2HG PRO 53 -1.952 8.868 -6.708 457 HG3 PRO 53 3HG PRO 53 -3.343 9.414 -5.740 458 HD2 PRO 53 2HD PRO 53 -1.446 11.152 -6.534 459 HD3 PRO 53 3HD PRO 53 -2.218 11.306 -4.939 460 H ILE 54 H ILE 54 0.960 7.124 -3.233 461 HA ILE 54 HA ILE 54 2.058 6.011 -5.730 462 HB ILE 54 HB ILE 54 3.948 7.122 -4.726 463 HG12 ILE 54 2HG1 ILE 54 4.114 4.148 -4.053 464 HG13 ILE 54 3HG1 ILE 54 4.408 4.858 -5.635 465 HG21 ILE 54 1HG2 ILE 54 3.100 7.458 -2.443 466 HG22 ILE 54 2HG2 ILE 54 4.728 6.780 -2.415 467 HG23 ILE 54 3HG2 ILE 54 3.336 5.745 -2.091 468 HD11 ILE 54 1HD1 ILE 54 6.059 5.257 -3.152 469 HD12 ILE 54 2HD1 ILE 54 6.335 6.065 -4.699 470 HD13 ILE 54 3HD1 ILE 54 6.476 4.313 -4.583 471 H VAL 55 H VAL 55 1.806 3.811 -5.901 472 HA VAL 55 HA VAL 55 0.835 2.321 -3.529 473 HB VAL 55 HB VAL 55 -0.070 1.780 -6.400 474 HG11 VAL 55 1HG1 VAL 55 -1.113 0.748 -3.740 475 HG12 VAL 55 2HG1 VAL 55 -0.171 -0.170 -4.917 476 HG13 VAL 55 3HG1 VAL 55 -1.798 0.380 -5.325 477 HG21 VAL 55 1HG2 VAL 55 -0.945 3.985 -5.724 478 HG22 VAL 55 2HG2 VAL 55 -1.612 3.286 -4.248 479 HG23 VAL 55 3HG2 VAL 55 -2.250 2.799 -5.821 480 H ILE 56 H ILE 56 2.261 0.851 -2.976 481 HA ILE 56 HA ILE 56 4.192 -0.264 -4.914 482 HB ILE 56 HB ILE 56 4.371 -0.066 -1.863 483 HG12 ILE 56 2HG1 ILE 56 4.670 2.119 -3.104 484 HG13 ILE 56 3HG1 ILE 56 6.096 1.623 -2.206 485 HG21 ILE 56 1HG2 ILE 56 5.513 -2.095 -2.649 486 HG22 ILE 56 2HG2 ILE 56 6.701 -0.903 -2.129 487 HG23 ILE 56 3HG2 ILE 56 6.410 -1.161 -3.850 488 HD11 ILE 56 1HD1 ILE 56 5.696 1.349 -5.188 489 HD12 ILE 56 2HD1 ILE 56 7.132 0.839 -4.296 490 HD13 ILE 56 3HD1 ILE 56 6.696 2.545 -4.365 491 H PHE 57 H PHE 57 4.003 -2.342 -5.389 492 HA PHE 57 HA PHE 57 2.133 -4.082 -3.913 493 HB2 PHE 57 2HB PHE 57 3.238 -4.337 -6.755 494 HB3 PHE 57 3HB PHE 57 2.031 -5.391 -6.014 495 HD1 PHE 57 HD1 PHE 57 -0.258 -4.534 -5.527 496 HD2 PHE 57 HD2 PHE 57 2.617 -2.131 -7.601 497 HE1 PHE 57 HE1 PHE 57 -2.035 -2.990 -6.223 498 HE2 PHE 57 HE2 PHE 57 0.823 -0.602 -8.299 499 HZ PHE 57 HZ PHE 57 -1.499 -1.029 -7.606 500 H ILE 58 H ILE 58 3.115 -5.461 -2.563 501 HA ILE 58 HA ILE 58 5.751 -6.606 -3.303 502 HB ILE 58 HB ILE 58 4.830 -6.099 -0.430 503 HG12 ILE 58 2HG1 ILE 58 6.782 -4.437 -2.094 504 HG13 ILE 58 3HG1 ILE 58 5.179 -3.922 -1.588 505 HG21 ILE 58 1HG2 ILE 58 7.236 -6.565 0.104 506 HG22 ILE 58 2HG2 ILE 58 7.518 -6.939 -1.595 507 HG23 ILE 58 3HG2 ILE 58 6.429 -7.945 -0.643 508 HD11 ILE 58 1HD1 ILE 58 7.528 -4.477 0.207 509 HD12 ILE 58 2HD1 ILE 58 5.909 -4.031 0.754 510 HD13 ILE 58 3HD1 ILE 58 6.855 -2.905 -0.219 511 H ARG 59 H ARG 59 5.502 -8.685 -3.770 512 HA ARG 59 HA ARG 59 3.229 -10.206 -2.887 513 HB2 ARG 59 2HB ARG 59 4.303 -10.564 -5.139 514 HB3 ARG 59 3HB ARG 59 5.711 -11.240 -4.323 515 HG2 ARG 59 2HG ARG 59 3.655 -12.739 -3.207 516 HG3 ARG 59 3HG ARG 59 3.049 -12.467 -4.839 517 HD2 ARG 59 2HD ARG 59 4.294 -14.579 -4.653 518 HD3 ARG 59 3HD ARG 59 5.078 -13.464 -5.773 519 HE ARG 59 HE ARG 59 6.907 -13.415 -4.416 520 HH11 ARG 59 1HH1 ARG 59 4.260 -14.754 -2.505 521 HH12 ARG 59 2HH1 ARG 59 5.287 -15.180 -1.174 522 HH21 ARG 59 1HH2 ARG 59 8.212 -13.967 -2.664 523 HH22 ARG 59 2HH2 ARG 59 7.524 -14.728 -1.266 524 H GLY 60 H GLY 60 3.164 -10.770 -0.802 525 HA2 GLY 60 2HA GLY 60 3.558 -12.077 1.032 526 HA3 GLY 60 3HA GLY 60 4.946 -12.765 0.206 527 H ALA 61 H ALA 61 4.235 -9.377 1.132 528 HA ALA 61 HA ALA 61 6.798 -8.903 2.276 529 HB1 ALA 61 1HB ALA 61 4.225 -7.332 2.665 530 HB2 ALA 61 2HB ALA 61 5.398 -7.075 1.380 531 HB3 ALA 61 3HB ALA 61 5.851 -6.769 3.056 532 H THR 62 H THR 62 7.375 -10.175 3.955 533 HA THR 62 HA THR 62 5.614 -11.028 6.054 534 HB THR 62 HB THR 62 7.501 -12.438 5.401 535 HG1 THR 62 HG1 THR 62 6.829 -12.588 7.568 536 HG21 THR 62 1HG2 THR 62 9.144 -10.711 4.743 537 HG22 THR 62 2HG2 THR 62 9.845 -11.852 5.891 538 HG23 THR 62 3HG2 THR 62 9.345 -10.252 6.436 539 H GLU 63 H GLU 63 6.353 -10.631 8.401 540 HA GLU 63 HA GLU 63 5.432 -8.193 9.185 541 HB2 GLU 63 2HB GLU 63 5.761 -10.444 10.468 542 HB3 GLU 63 3HB GLU 63 7.335 -9.820 10.917 543 HG2 GLU 63 2HG GLU 63 4.716 -8.433 11.563 544 HG3 GLU 63 3HG GLU 63 5.505 -9.572 12.644 545 H GLU 64 H GLU 64 8.852 -9.163 9.056 546 HA GLU 64 HA GLU 64 9.967 -6.822 10.173 547 HB2 GLU 64 2HB GLU 64 12.137 -7.681 9.329 548 HB3 GLU 64 3HB GLU 64 11.193 -8.934 10.129 549 HG2 GLU 64 2HG GLU 64 10.485 -9.819 7.932 550 HG3 GLU 64 3HG GLU 64 11.425 -8.568 7.123 551 H VAL 65 H VAL 65 9.114 -7.606 6.844 552 HA VAL 65 HA VAL 65 10.534 -5.423 5.620 553 HB VAL 65 HB VAL 65 8.285 -7.169 4.505 554 HG11 VAL 65 1HG1 VAL 65 9.056 -6.458 2.261 555 HG12 VAL 65 2HG1 VAL 65 10.197 -5.335 3.005 556 HG13 VAL 65 3HG1 VAL 65 8.461 -5.093 3.210 557 HG21 VAL 65 1HG2 VAL 65 11.303 -7.453 4.190 558 HG22 VAL 65 2HG2 VAL 65 10.088 -8.455 3.392 559 HG23 VAL 65 3HG2 VAL 65 10.253 -8.499 5.148 560 H VAL 66 H VAL 66 7.108 -6.055 6.455 561 HA VAL 66 HA VAL 66 6.002 -3.734 5.330 562 HB VAL 66 HB VAL 66 4.897 -5.252 7.738 563 HG11 VAL 66 1HG1 VAL 66 3.784 -3.090 7.405 564 HG12 VAL 66 2HG1 VAL 66 2.687 -4.400 6.975 565 HG13 VAL 66 3HG1 VAL 66 3.488 -3.470 5.707 566 HG21 VAL 66 1HG2 VAL 66 3.603 -6.605 6.141 567 HG22 VAL 66 2HG2 VAL 66 5.334 -6.799 5.865 568 HG23 VAL 66 3HG2 VAL 66 4.381 -5.778 4.786 569 H ARG 67 H ARG 67 6.816 -4.413 8.757 570 HA ARG 67 HA ARG 67 6.073 -1.970 9.891 571 HB2 ARG 67 2HB ARG 67 7.369 -2.652 11.849 572 HB3 ARG 67 3HB ARG 67 6.563 -4.061 11.170 573 HG2 ARG 67 2HG ARG 67 8.707 -4.715 10.061 574 HG3 ARG 67 3HG ARG 67 9.492 -3.337 10.834 575 HD2 ARG 67 2HD ARG 67 8.185 -5.651 12.292 576 HD3 ARG 67 3HD ARG 67 9.914 -5.479 12.004 577 HE ARG 67 HE ARG 67 9.452 -3.226 13.316 578 HH11 ARG 67 1HH1 ARG 67 8.209 -6.437 14.069 579 HH12 ARG 67 2HH1 ARG 67 8.146 -6.140 15.780 580 HH21 ARG 67 1HH2 ARG 67 9.437 -2.896 15.563 581 HH22 ARG 67 2HH2 ARG 67 8.842 -4.136 16.620 582 H ASP 68 H ASP 68 9.023 -2.840 8.235 583 HA ASP 68 HA ASP 68 10.654 -0.664 9.214 584 HB2 ASP 68 2HB ASP 68 11.640 -2.850 8.736 585 HB3 ASP 68 3HB ASP 68 11.109 -2.769 7.062 586 H ILE 69 H ILE 69 8.798 -1.361 6.284 587 HA ILE 69 HA ILE 69 9.599 1.017 4.854 588 HB ILE 69 HB ILE 69 7.189 -0.820 4.491 589 HG12 ILE 69 2HG1 ILE 69 9.789 -0.719 2.889 590 HG13 ILE 69 3HG1 ILE 69 9.468 -1.879 4.174 591 HG21 ILE 69 1HG2 ILE 69 6.964 0.177 2.227 592 HG22 ILE 69 2HG2 ILE 69 8.234 1.336 2.617 593 HG23 ILE 69 3HG2 ILE 69 6.708 1.374 3.500 594 HD11 ILE 69 1HD1 ILE 69 7.960 -1.625 1.582 595 HD12 ILE 69 2HD1 ILE 69 7.571 -2.748 2.890 596 HD13 ILE 69 3HD1 ILE 69 9.107 -2.889 2.035 597 H VAL 70 H VAL 70 6.878 0.101 6.923 598 HA VAL 70 HA VAL 70 5.229 2.347 6.494 599 HB VAL 70 HB VAL 70 5.321 0.283 8.736 600 HG11 VAL 70 1HG1 VAL 70 3.189 2.412 8.320 601 HG12 VAL 70 2HG1 VAL 70 4.305 2.308 9.684 602 HG13 VAL 70 3HG1 VAL 70 3.083 1.058 9.451 603 HG21 VAL 70 1HG2 VAL 70 3.318 -0.638 7.609 604 HG22 VAL 70 2HG2 VAL 70 4.691 -0.562 6.502 605 HG23 VAL 70 3HG2 VAL 70 3.406 0.643 6.393 606 H GLU 71 H GLU 71 7.655 1.649 9.055 607 HA GLU 71 HA GLU 71 7.320 3.996 10.568 608 HB2 GLU 71 2HB GLU 71 9.575 3.620 11.478 609 HB3 GLU 71 3HB GLU 71 8.668 2.112 11.406 610 HG2 GLU 71 2HG GLU 71 9.938 1.287 9.584 611 HG3 GLU 71 3HG GLU 71 10.586 2.874 9.199 612 H TYR 72 H TYR 72 9.225 3.400 7.645 613 HA TYR 72 HA TYR 72 10.675 5.846 7.607 614 HB2 TYR 72 2HB TYR 72 11.454 3.935 6.297 615 HB3 TYR 72 3HB TYR 72 9.960 3.898 5.369 616 HD1 TYR 72 HD1 TYR 72 13.146 5.761 5.879 617 HD2 TYR 72 HD2 TYR 72 9.621 5.426 3.485 618 HE1 TYR 72 HE1 TYR 72 14.125 7.278 4.202 619 HE2 TYR 72 HE2 TYR 72 10.599 6.929 1.823 620 HH TYR 72 HH TYR 72 12.299 8.698 1.719 621 H ALA 73 H ALA 73 7.642 4.791 6.044 622 HA ALA 73 HA ALA 73 7.098 7.198 4.647 623 HB1 ALA 73 1HB ALA 73 5.172 5.031 5.556 624 HB2 ALA 73 2HB ALA 73 6.079 5.045 4.044 625 HB3 ALA 73 3HB ALA 73 4.840 6.266 4.332 626 H GLN 74 H GLN 74 6.475 6.175 7.949 627 HA GLN 74 HA GLN 74 4.796 8.391 8.697 628 HB2 GLN 74 2HB GLN 74 6.402 6.417 10.370 629 HB3 GLN 74 3HB GLN 74 5.347 7.649 11.062 630 HG2 GLN 74 2HG GLN 74 3.404 6.635 9.945 631 HG3 GLN 74 3HG GLN 74 4.443 5.413 9.218 632 HE21 GLN 74 1HE2 GLN 74 2.926 6.496 12.155 633 HE22 GLN 74 2HE2 GLN 74 3.226 5.069 13.081 634 H LYS 75 H LYS 75 8.300 7.756 8.746 635 HA LYS 75 HA LYS 75 9.147 10.093 10.132 636 HB2 LYS 75 2HB LYS 75 10.580 8.378 8.063 637 HB3 LYS 75 3HB LYS 75 11.360 9.720 8.896 638 HG2 LYS 75 2HG LYS 75 11.082 8.581 11.048 639 HG3 LYS 75 3HG LYS 75 10.227 7.254 10.252 640 HD2 LYS 75 2HD LYS 75 12.252 6.699 8.953 641 HD3 LYS 75 3HD LYS 75 13.112 8.058 9.686 642 HE2 LYS 75 2HE LYS 75 13.742 5.949 10.758 643 HE3 LYS 75 3HE LYS 75 12.897 6.991 11.903 644 HZ1 LYS 75 1HZ LYS 75 11.823 4.619 10.492 645 HZ2 LYS 75 2HZ LYS 75 10.855 5.697 11.361 646 HZ3 LYS 75 3HZ LYS 75 12.060 4.817 12.152 647 H GLU 76 H GLU 76 8.442 9.407 6.744 648 HA GLU 76 HA GLU 76 9.245 11.858 5.572 649 HB2 GLU 76 2HB GLU 76 7.077 9.902 4.683 650 HB3 GLU 76 3HB GLU 76 7.779 11.160 3.676 651 HG2 GLU 76 2HG GLU 76 9.333 8.845 4.838 652 HG3 GLU 76 3HG GLU 76 8.622 8.845 3.234 653 H GLY 77 H GLY 77 6.544 11.025 7.553 654 HA2 GLY 77 2HA GLY 77 4.850 12.306 8.444 655 HA3 GLY 77 3HA GLY 77 5.439 13.687 7.525 656 H LEU 78 H LEU 78 4.783 10.697 5.895 657 HA LEU 78 HA LEU 78 2.606 11.950 4.371 658 HB2 LEU 78 2HB LEU 78 4.176 9.389 3.853 659 HB3 LEU 78 3HB LEU 78 2.951 10.057 2.782 660 HG LEU 78 HG LEU 78 5.640 11.318 3.446 661 HD11 LEU 78 1HD1 LEU 78 4.622 10.173 0.830 662 HD12 LEU 78 2HD1 LEU 78 5.816 9.430 1.898 663 HD13 LEU 78 3HD1 LEU 78 6.186 10.951 1.095 664 HD21 LEU 78 1HD2 LEU 78 5.060 13.067 1.802 665 HD22 LEU 78 2HD2 LEU 78 3.998 13.091 3.203 666 HD23 LEU 78 3HD2 LEU 78 3.429 12.405 1.681 667 H ARG 79 H ARG 79 0.670 10.815 3.926 668 HA ARG 79 HA ARG 79 -0.490 9.449 6.160 669 HB2 ARG 79 2HB ARG 79 -1.711 11.060 4.632 670 HB3 ARG 79 3HB ARG 79 -1.612 9.858 3.349 671 HG2 ARG 79 2HG ARG 79 -2.893 8.283 4.833 672 HG3 ARG 79 3HG ARG 79 -3.103 9.605 5.971 673 HD2 ARG 79 2HD ARG 79 -4.076 9.652 3.099 674 HD3 ARG 79 3HD ARG 79 -5.071 9.208 4.488 675 HE ARG 79 HE ARG 79 -3.836 11.817 4.706 676 HH11 ARG 79 1HH1 ARG 79 -6.633 10.068 3.508 677 HH12 ARG 79 2HH1 ARG 79 -7.667 11.457 3.506 678 HH21 ARG 79 1HH2 ARG 79 -5.203 13.645 4.707 679 HH22 ARG 79 2HH2 ARG 79 -6.855 13.497 4.189 680 H VAL 80 H VAL 80 -0.116 7.292 6.532 681 HA VAL 80 HA VAL 80 0.836 5.576 4.325 682 HB VAL 80 HB VAL 80 0.861 4.857 7.297 683 HG11 VAL 80 1HG1 VAL 80 2.547 3.845 4.968 684 HG12 VAL 80 2HG1 VAL 80 1.221 2.978 5.746 685 HG13 VAL 80 3HG1 VAL 80 2.694 3.324 6.651 686 HG21 VAL 80 1HG2 VAL 80 3.051 6.335 5.788 687 HG22 VAL 80 2HG2 VAL 80 3.189 5.692 7.427 688 HG23 VAL 80 3HG2 VAL 80 2.047 6.992 7.083 689 H LEU 81 H LEU 81 -0.721 4.477 3.341 690 HA LEU 81 HA LEU 81 -2.996 3.271 4.816 691 HB2 LEU 81 2HB LEU 81 -2.628 4.220 1.947 692 HB3 LEU 81 3HB LEU 81 -3.818 2.985 2.301 693 HG LEU 81 HG LEU 81 -4.874 5.177 2.134 694 HD11 LEU 81 1HD1 LEU 81 -6.147 5.169 4.209 695 HD12 LEU 81 2HD1 LEU 81 -4.920 4.165 4.986 696 HD13 LEU 81 3HD1 LEU 81 -5.862 3.524 3.639 697 HD21 LEU 81 1HD2 LEU 81 -2.975 6.578 2.832 698 HD22 LEU 81 2HD2 LEU 81 -3.193 6.047 4.499 699 HD23 LEU 81 3HD2 LEU 81 -4.455 6.985 3.695 700 H VAL 82 H VAL 82 -2.491 1.151 5.304 701 HA VAL 82 HA VAL 82 -0.923 -0.372 3.289 702 HB VAL 82 HB VAL 82 -1.240 -1.067 6.244 703 HG11 VAL 82 1HG1 VAL 82 0.539 -2.291 4.095 704 HG12 VAL 82 2HG1 VAL 82 -0.872 -3.049 4.839 705 HG13 VAL 82 3HG1 VAL 82 0.563 -2.718 5.808 706 HG21 VAL 82 1HG2 VAL 82 1.149 0.186 4.836 707 HG22 VAL 82 2HG2 VAL 82 1.106 -0.341 6.520 708 HG23 VAL 82 3HG2 VAL 82 0.085 0.995 5.990 709 H ILE 83 H ILE 83 -2.337 -1.301 1.982 710 HA ILE 83 HA ILE 83 -4.754 -2.628 3.009 711 HB ILE 83 HB ILE 83 -3.796 -2.161 0.143 712 HG12 ILE 83 2HG1 ILE 83 -6.115 -1.032 1.774 713 HG13 ILE 83 3HG1 ILE 83 -4.739 -0.144 1.129 714 HG21 ILE 83 1HG2 ILE 83 -5.900 -3.214 -0.637 715 HG22 ILE 83 2HG2 ILE 83 -6.314 -3.633 1.026 716 HG23 ILE 83 3HG2 ILE 83 -4.909 -4.371 0.259 717 HD11 ILE 83 1HD1 ILE 83 -5.562 -0.545 -1.142 718 HD12 ILE 83 2HD1 ILE 83 -6.734 0.305 -0.138 719 HD13 ILE 83 3HD1 ILE 83 -6.953 -1.410 -0.481 720 H MET 84 H MET 84 -4.390 -4.558 3.818 721 HA MET 84 HA MET 84 -2.392 -6.386 2.609 722 HB2 MET 84 2HB MET 84 -3.552 -6.229 5.423 723 HB3 MET 84 3HB MET 84 -2.598 -7.597 4.856 724 HG2 MET 84 2HG MET 84 -0.656 -6.219 4.568 725 HG3 MET 84 3HG MET 84 -1.583 -4.747 4.841 726 HE1 MET 84 1HE MET 84 -2.223 -4.751 8.631 727 HE2 MET 84 2HE MET 84 -3.346 -5.249 7.370 728 HE3 MET 84 3HE MET 84 -2.310 -3.842 7.125 729 H VAL 85 H VAL 85 -3.242 -7.891 1.399 730 HA VAL 85 HA VAL 85 -5.949 -8.966 1.848 731 HB VAL 85 HB VAL 85 -4.882 -7.815 -0.783 732 HG11 VAL 85 1HG1 VAL 85 -7.374 -9.520 -0.394 733 HG12 VAL 85 2HG1 VAL 85 -5.919 -9.988 -1.276 734 HG13 VAL 85 3HG1 VAL 85 -6.929 -8.677 -1.880 735 HG21 VAL 85 1HG2 VAL 85 -7.407 -7.167 0.786 736 HG22 VAL 85 2HG2 VAL 85 -6.905 -6.412 -0.729 737 HG23 VAL 85 3HG2 VAL 85 -5.946 -6.179 0.732 738 H ASP 86 H ASP 86 -5.955 -11.109 1.665 739 HA ASP 86 HA ASP 86 -4.593 -12.603 -0.302 740 HB2 ASP 86 2HB ASP 86 -2.648 -12.193 1.308 741 HB3 ASP 86 3HB ASP 86 -3.533 -13.088 2.536 742 H GLN 87 H GLN 87 -4.991 -15.009 0.126 743 HA GLN 87 HA GLN 87 -7.738 -15.419 0.904 744 HB2 GLN 87 2HB GLN 87 -5.594 -17.394 0.015 745 HB3 GLN 87 3HB GLN 87 -7.321 -17.739 0.112 746 HG2 GLN 87 2HG GLN 87 -7.787 -16.109 -1.655 747 HG3 GLN 87 3HG GLN 87 -6.089 -15.634 -1.699 748 HE21 GLN 87 1HE2 GLN 87 -4.576 -17.026 -2.685 749 HE22 GLN 87 2HE2 GLN 87 -5.062 -18.325 -3.720 750 H ASP 88 H ASP 88 -5.153 -15.042 2.853 751 HA ASP 88 HA ASP 88 -6.341 -16.731 4.976 752 HB2 ASP 88 2HB ASP 88 -4.078 -17.553 4.472 753 HB3 ASP 88 3HB ASP 88 -3.415 -15.927 4.604 754 H GLN 89 H GLN 89 -7.373 -15.477 6.408 755 HA GLN 89 HA GLN 89 -7.021 -12.628 6.555 756 HB2 GLN 89 2HB GLN 89 -9.241 -13.574 6.880 757 HB3 GLN 89 3HB GLN 89 -8.690 -14.552 8.233 758 HG2 GLN 89 2HG GLN 89 -10.042 -12.575 8.934 759 HG3 GLN 89 3HG GLN 89 -8.425 -12.583 9.631 760 HE21 GLN 89 1HE2 GLN 89 -8.425 -10.365 10.026 761 HE22 GLN 89 2HE2 GLN 89 -8.319 -9.190 8.765 762 H GLU 90 H GLU 90 -5.677 -15.364 8.316 763 HA GLU 90 HA GLU 90 -5.052 -14.059 10.756 764 HB2 GLU 90 2HB GLU 90 -3.766 -16.486 9.449 765 HB3 GLU 90 3HB GLU 90 -3.435 -15.959 11.101 766 HG2 GLU 90 2HG GLU 90 -5.811 -16.304 11.695 767 HG3 GLU 90 3HG GLU 90 -6.155 -16.819 10.044 768 H GLU 91 H GLU 91 -3.176 -14.414 7.743 769 HA GLU 91 HA GLU 91 -0.768 -13.166 8.518 770 HB2 GLU 91 2HB GLU 91 -1.059 -14.367 6.357 771 HB3 GLU 91 3HB GLU 91 -2.193 -13.137 5.813 772 HG2 GLU 91 2HG GLU 91 -0.079 -12.751 4.728 773 HG3 GLU 91 3HG GLU 91 -0.352 -11.450 5.880 774 H LEU 92 H LEU 92 -3.659 -11.870 6.979 775 HA LEU 92 HA LEU 92 -3.035 -9.171 6.711 776 HB2 LEU 92 2HB LEU 92 -5.627 -10.717 6.954 777 HB3 LEU 92 3HB LEU 92 -5.673 -8.970 6.835 778 HG LEU 92 HG LEU 92 -4.884 -8.963 4.605 779 HD11 LEU 92 1HD1 LEU 92 -4.106 -11.870 4.835 780 HD12 LEU 92 2HD1 LEU 92 -3.016 -10.488 4.726 781 HD13 LEU 92 3HD1 LEU 92 -4.050 -10.901 3.362 782 HD21 LEU 92 1HD2 LEU 92 -7.219 -9.632 4.786 783 HD22 LEU 92 2HD2 LEU 92 -6.756 -11.333 4.874 784 HD23 LEU 92 3HD2 LEU 92 -6.471 -10.414 3.393 785 H GLU 93 H GLU 93 -4.526 -10.914 9.373 786 HA GLU 93 HA GLU 93 -5.418 -8.566 10.802 787 HB2 GLU 93 2HB GLU 93 -6.749 -10.663 10.631 788 HB3 GLU 93 3HB GLU 93 -5.510 -11.531 11.532 789 HG2 GLU 93 2HG GLU 93 -5.969 -10.200 13.524 790 HG3 GLU 93 3HG GLU 93 -7.111 -9.194 12.632 791 H ARG 94 H ARG 94 -2.704 -10.800 10.946 792 HA ARG 94 HA ARG 94 -1.943 -10.152 13.646 793 HB2 ARG 94 2HB ARG 94 -1.331 -12.310 12.219 794 HB3 ARG 94 3HB ARG 94 0.029 -11.335 11.665 795 HG2 ARG 94 2HG ARG 94 0.714 -12.718 13.563 796 HG3 ARG 94 3HG ARG 94 0.742 -11.014 14.032 797 HD2 ARG 94 2HD ARG 94 -1.577 -11.351 15.017 798 HD3 ARG 94 3HD ARG 94 -1.378 -13.077 14.722 799 HE ARG 94 HE ARG 94 0.723 -12.737 16.207 800 HH11 ARG 94 1HH1 ARG 94 -2.388 -11.125 16.675 801 HH12 ARG 94 2HH1 ARG 94 -2.177 -10.982 18.394 802 HH21 ARG 94 1HH2 ARG 94 0.936 -12.576 18.459 803 HH22 ARG 94 2HH2 ARG 94 -0.304 -11.802 19.395 804 H ILE 95 H ILE 95 -0.754 -9.253 10.408 805 HA ILE 95 HA ILE 95 1.159 -7.344 11.309 806 HB ILE 95 HB ILE 95 -0.208 -7.384 8.577 807 HG12 ILE 95 2HG1 ILE 95 0.711 -9.630 9.038 808 HG13 ILE 95 3HG1 ILE 95 1.657 -8.829 7.793 809 HG21 ILE 95 1HG2 ILE 95 2.505 -6.293 9.436 810 HG22 ILE 95 2HG2 ILE 95 1.090 -5.342 8.977 811 HG23 ILE 95 3HG2 ILE 95 1.904 -6.344 7.776 812 HD11 ILE 95 1HD1 ILE 95 3.081 -10.045 9.305 813 HD12 ILE 95 2HD1 ILE 95 2.433 -9.169 10.690 814 HD13 ILE 95 3HD1 ILE 95 3.388 -8.316 9.472 815 H TYR 96 H TYR 96 -2.274 -7.133 10.408 816 HA TYR 96 HA TYR 96 -2.789 -4.398 10.523 817 HB2 TYR 96 2HB TYR 96 -4.474 -6.060 9.866 818 HB3 TYR 96 3HB TYR 96 -4.482 -6.753 11.475 819 HD1 TYR 96 HD1 TYR 96 -5.917 -4.213 9.309 820 HD2 TYR 96 HD2 TYR 96 -5.531 -5.412 13.391 821 HE1 TYR 96 HE1 TYR 96 -7.863 -2.831 9.908 822 HE2 TYR 96 HE2 TYR 96 -7.458 -4.013 13.993 823 HH TYR 96 HH TYR 96 -9.537 -2.640 11.676 824 H GLU 97 H GLU 97 -2.663 -6.764 13.162 825 HA GLU 97 HA GLU 97 -3.470 -5.083 15.272 826 HB2 GLU 97 2HB GLU 97 -3.232 -7.719 15.057 827 HB3 GLU 97 3HB GLU 97 -1.627 -7.455 15.699 828 HG2 GLU 97 2HG GLU 97 -4.204 -6.653 17.087 829 HG3 GLU 97 3HG GLU 97 -3.340 -8.153 17.387 830 H GLN 98 H GLN 98 -0.304 -5.676 13.795 831 HA GLN 98 HA GLN 98 1.275 -4.241 15.707 832 HB2 GLN 98 2HB GLN 98 2.418 -5.830 14.299 833 HB3 GLN 98 3HB GLN 98 1.775 -5.111 12.829 834 HG2 GLN 98 2HG GLN 98 4.171 -4.627 13.101 835 HG3 GLN 98 3HG GLN 98 3.217 -3.145 13.117 836 HE21 GLN 98 1HE2 GLN 98 3.111 -1.930 15.049 837 HE22 GLN 98 2HE2 GLN 98 4.169 -2.231 16.383 838 H LEU 99 H LEU 99 0.071 -3.353 12.446 839 HA LEU 99 HA LEU 99 1.378 -0.827 12.402 840 HB2 LEU 99 2HB LEU 99 -0.898 -1.821 10.663 841 HB3 LEU 99 3HB LEU 99 0.194 -0.495 10.278 842 HG LEU 99 HG LEU 99 0.975 -3.430 10.502 843 HD11 LEU 99 1HD1 LEU 99 1.291 -3.366 8.086 844 HD12 LEU 99 2HD1 LEU 99 0.737 -1.690 8.036 845 HD13 LEU 99 3HD1 LEU 99 -0.372 -2.976 8.516 846 HD21 LEU 99 1HD2 LEU 99 3.165 -2.759 9.631 847 HD22 LEU 99 2HD2 LEU 99 2.828 -2.019 11.192 848 HD23 LEU 99 3HD2 LEU 99 2.689 -1.062 9.715 849 H LYS 100 H LYS 100 -1.830 -1.818 13.371 850 HA LYS 100 HA LYS 100 -3.116 0.718 13.243 851 HB2 LYS 100 2HB LYS 100 -4.071 -1.786 13.445 852 HB3 LYS 100 3HB LYS 100 -4.056 -1.429 15.159 853 HG2 LYS 100 2HG LYS 100 -5.498 0.311 13.137 854 HG3 LYS 100 3HG LYS 100 -6.262 -1.076 13.905 855 HD2 LYS 100 2HD LYS 100 -5.129 1.311 15.408 856 HD3 LYS 100 3HD LYS 100 -6.827 1.122 14.973 857 HE2 LYS 100 2HE LYS 100 -6.963 -0.914 16.355 858 HE3 LYS 100 3HE LYS 100 -5.255 -0.754 16.773 859 HZ1 LYS 100 1HZ LYS 100 -7.372 1.227 17.432 860 HZ2 LYS 100 2HZ LYS 100 -5.741 1.328 17.870 861 HZ3 LYS 100 3HZ LYS 100 -6.712 0.104 18.509 862 H LYS 101 H LYS 101 -1.116 -0.900 15.688 863 HA LYS 101 HA LYS 101 -1.462 0.803 17.912 864 HB2 LYS 101 2HB LYS 101 1.165 -0.476 17.029 865 HB3 LYS 101 3HB LYS 101 0.799 0.125 18.643 866 HG2 LYS 101 2HG LYS 101 -0.859 -1.655 18.956 867 HG3 LYS 101 3HG LYS 101 -0.569 -2.227 17.308 868 HD2 LYS 101 2HD LYS 101 1.853 -2.621 17.950 869 HD3 LYS 101 3HD LYS 101 1.421 -2.231 19.617 870 HE2 LYS 101 2HE LYS 101 0.305 -4.528 17.978 871 HE3 LYS 101 3HE LYS 101 1.506 -4.657 19.262 872 HZ1 LYS 101 1HZ LYS 101 -1.303 -3.765 19.568 873 HZ2 LYS 101 2HZ LYS 101 -0.162 -3.805 20.812 874 HZ3 LYS 101 3HZ LYS 101 -0.656 -5.243 20.070 875 H ASP 102 H ASP 102 0.599 1.069 15.053 876 HA ASP 102 HA ASP 102 2.074 3.403 15.827 877 HB2 ASP 102 2HB ASP 102 1.659 2.174 13.061 878 HB3 ASP 102 3HB ASP 102 2.902 3.346 13.482 879 H GLY 103 H GLY 103 -1.135 3.067 14.897 880 HA2 GLY 103 2HA GLY 103 -2.764 4.662 14.523 881 HA3 GLY 103 3HA GLY 103 -1.520 5.902 14.440 882 H VAL 104 H VAL 104 -1.272 3.027 12.523 883 HA VAL 104 HA VAL 104 -1.435 4.564 10.036 884 HB VAL 104 HB VAL 104 -0.611 1.665 10.575 885 HG11 VAL 104 1HG1 VAL 104 -0.318 3.263 8.003 886 HG12 VAL 104 2HG1 VAL 104 -1.423 1.912 8.259 887 HG13 VAL 104 3HG1 VAL 104 0.320 1.641 8.290 888 HG21 VAL 104 1HG2 VAL 104 1.132 4.089 10.005 889 HG22 VAL 104 2HG2 VAL 104 1.688 2.441 10.304 890 HG23 VAL 104 3HG2 VAL 104 0.897 3.348 11.590 891 H ASP 105 H ASP 105 -3.094 4.340 8.573 892 HA ASP 105 HA ASP 105 -5.490 2.966 9.446 893 HB2 ASP 105 2HB ASP 105 -5.529 5.242 8.377 894 HB3 ASP 105 3HB ASP 105 -5.042 4.496 6.860 895 H VAL 106 H VAL 106 -5.620 0.911 9.129 896 HA VAL 106 HA VAL 106 -4.309 -0.411 6.831 897 HB VAL 106 HB VAL 106 -4.313 -2.454 8.528 898 HG11 VAL 106 1HG1 VAL 106 -2.089 -1.813 9.306 899 HG12 VAL 106 2HG1 VAL 106 -2.394 -0.124 8.891 900 HG13 VAL 106 3HG1 VAL 106 -2.304 -1.348 7.623 901 HG21 VAL 106 1HG2 VAL 106 -4.047 -1.803 10.901 902 HG22 VAL 106 2HG2 VAL 106 -5.647 -1.347 10.318 903 HG23 VAL 106 3HG2 VAL 106 -4.394 -0.117 10.498 904 H ARG 107 H ARG 107 -5.492 -1.540 5.513 905 HA ARG 107 HA ARG 107 -8.343 -2.081 6.119 906 HB2 ARG 107 2HB ARG 107 -7.310 -1.364 3.339 907 HB3 ARG 107 3HB ARG 107 -8.962 -1.289 3.949 908 HG2 ARG 107 2HG ARG 107 -8.253 0.608 5.453 909 HG3 ARG 107 3HG ARG 107 -6.671 0.565 4.679 910 HD2 ARG 107 2HD ARG 107 -7.820 2.317 3.602 911 HD3 ARG 107 3HD ARG 107 -7.928 0.969 2.471 912 HE ARG 107 HE ARG 107 -10.194 0.989 2.711 913 HH11 ARG 107 1HH1 ARG 107 -8.868 2.799 5.432 914 HH12 ARG 107 2HH1 ARG 107 -10.424 3.333 5.981 915 HH21 ARG 107 1HH2 ARG 107 -12.214 1.746 3.436 916 HH22 ARG 107 2HH2 ARG 107 -12.309 2.740 4.862 917 H VAL 108 H VAL 108 -8.639 -4.231 6.172 918 HA VAL 108 HA VAL 108 -6.964 -6.019 4.518 919 HB VAL 108 HB VAL 108 -7.061 -7.701 6.318 920 HG11 VAL 108 1HG1 VAL 108 -5.546 -6.627 7.944 921 HG12 VAL 108 2HG1 VAL 108 -6.008 -5.034 7.338 922 HG13 VAL 108 3HG1 VAL 108 -5.147 -6.162 6.290 923 HG21 VAL 108 1HG2 VAL 108 -8.514 -5.608 7.995 924 HG22 VAL 108 2HG2 VAL 108 -7.925 -7.165 8.583 925 HG23 VAL 108 3HG2 VAL 108 -9.206 -7.109 7.375 926 H THR 109 H THR 109 -7.986 -7.698 3.464 927 HA THR 109 HA THR 109 -10.614 -8.615 4.163 928 HB THR 109 HB THR 109 -11.361 -6.665 2.915 929 HG1 THR 109 HG1 THR 109 -11.699 -8.752 1.049 930 HG21 THR 109 1HG2 THR 109 -9.707 -7.640 0.553 931 HG22 THR 109 2HG2 THR 109 -9.363 -6.210 1.527 932 HG23 THR 109 3HG2 THR 109 -10.824 -6.275 0.542 933 H ASP 110 H ASP 110 -10.800 -10.726 3.621 934 HA ASP 110 HA ASP 110 -8.674 -11.940 1.990 935 HB2 ASP 110 2HB ASP 110 -9.444 -14.120 2.955 936 HB3 ASP 110 3HB ASP 110 -8.937 -12.965 4.178 937 H ASN 111 H ASN 111 -9.355 -11.290 0.015 938 HA ASN 111 HA ASN 111 -10.686 -12.956 -1.693 939 HB2 ASN 111 2HB ASN 111 -12.795 -11.752 -2.302 940 HB3 ASN 111 3HB ASN 111 -12.865 -12.394 -0.667 941 HD21 ASN 111 1HD2 ASN 111 -14.477 -10.973 -0.025 942 HD22 ASN 111 2HD2 ASN 111 -14.213 -9.282 0.207 943 H GLU 112 H GLU 112 -11.267 -11.640 -3.862 944 HA GLU 112 HA GLU 112 -9.085 -9.692 -4.288 945 HB2 GLU 112 2HB GLU 112 -9.200 -11.698 -5.765 946 HB3 GLU 112 3HB GLU 112 -10.798 -11.199 -6.308 947 HG2 GLU 112 2HG GLU 112 -9.653 -9.013 -7.088 948 HG3 GLU 112 3HG GLU 112 -8.131 -9.869 -6.859 949 H ASP 113 H ASP 113 -12.603 -10.046 -4.488 950 HA ASP 113 HA ASP 113 -13.144 -7.873 -6.200 951 HB2 ASP 113 2HB ASP 113 -15.520 -8.085 -5.424 952 HB3 ASP 113 3HB ASP 113 -14.803 -9.604 -5.950 953 H GLU 114 H GLU 114 -13.435 -8.049 -2.601 954 HA GLU 114 HA GLU 114 -14.049 -5.302 -2.230 955 HB2 GLU 114 2HB GLU 114 -12.975 -7.424 -0.354 956 HB3 GLU 114 3HB GLU 114 -13.142 -5.762 0.179 957 HG2 GLU 114 2HG GLU 114 -15.440 -7.398 -0.907 958 HG3 GLU 114 3HG GLU 114 -15.024 -7.300 0.806 959 H ALA 115 H ALA 115 -10.991 -7.055 -2.432 960 HA ALA 115 HA ALA 115 -9.181 -5.168 -1.470 961 HB1 ALA 115 1HB ALA 115 -8.607 -7.486 -2.084 962 HB2 ALA 115 2HB ALA 115 -7.511 -6.328 -2.839 963 HB3 ALA 115 3HB ALA 115 -8.794 -7.087 -3.791 964 H LYS 116 H LYS 116 -10.508 -5.552 -4.719 965 HA LYS 116 HA LYS 116 -9.057 -3.442 -5.976 966 HB2 LYS 116 2HB LYS 116 -11.561 -4.965 -6.805 967 HB3 LYS 116 3HB LYS 116 -10.657 -3.880 -7.863 968 HG2 LYS 116 2HG LYS 116 -8.690 -5.328 -7.768 969 HG3 LYS 116 3HG LYS 116 -9.461 -6.355 -6.559 970 HD2 LYS 116 2HD LYS 116 -9.553 -7.466 -8.717 971 HD3 LYS 116 3HD LYS 116 -11.184 -7.007 -8.233 972 HE2 LYS 116 2HE LYS 116 -11.028 -5.029 -9.753 973 HE3 LYS 116 3HE LYS 116 -9.439 -5.593 -10.273 974 HZ1 LYS 116 1HZ LYS 116 -11.253 -6.253 -11.783 975 HZ2 LYS 116 2HZ LYS 116 -11.939 -7.173 -10.539 976 HZ3 LYS 116 3HZ LYS 116 -10.415 -7.577 -11.148 977 H LYS 117 H LYS 117 -12.183 -3.649 -4.335 978 HA LYS 117 HA LYS 117 -13.190 -1.083 -5.126 979 HB2 LYS 117 2HB LYS 117 -13.916 -2.720 -2.650 980 HB3 LYS 117 3HB LYS 117 -14.851 -1.379 -3.304 981 HG2 LYS 117 2HG LYS 117 -14.369 -4.046 -4.648 982 HG3 LYS 117 3HG LYS 117 -15.857 -3.548 -3.857 983 HD2 LYS 117 2HD LYS 117 -14.682 -2.152 -6.292 984 HD3 LYS 117 3HD LYS 117 -15.893 -3.429 -6.376 985 HE2 LYS 117 2HE LYS 117 -17.436 -2.018 -5.022 986 HE3 LYS 117 3HE LYS 117 -16.234 -0.722 -5.050 987 HZ1 LYS 117 1HZ LYS 117 -16.395 -0.661 -7.452 988 HZ2 LYS 117 2HZ LYS 117 -17.922 -0.436 -6.766 989 HZ3 LYS 117 3HZ LYS 117 -17.513 -1.931 -7.447 990 H ARG 118 H ARG 118 -11.332 -2.279 -2.341 991 HA ARG 118 HA ARG 118 -11.389 0.203 -0.877 992 HB2 ARG 118 2HB ARG 118 -9.677 -2.288 -0.421 993 HB3 ARG 118 3HB ARG 118 -9.865 -0.956 0.716 994 HG2 ARG 118 2HG ARG 118 -12.049 -2.857 -0.192 995 HG3 ARG 118 3HG ARG 118 -11.257 -2.865 1.379 996 HD2 ARG 118 2HD ARG 118 -12.334 -0.861 2.052 997 HD3 ARG 118 3HD ARG 118 -12.784 -0.439 0.399 998 HE ARG 118 HE ARG 118 -14.012 -2.884 1.183 999 HH11 ARG 118 1HH1 ARG 118 -14.279 0.608 1.634 1000 HH12 ARG 118 2HH1 ARG 118 -15.983 0.542 1.958 1001 HH21 ARG 118 1HH2 ARG 118 -16.231 -2.933 1.565 1002 HH22 ARG 118 2HH2 ARG 118 -17.095 -1.468 1.919 1003 H LEU 119 H LEU 119 -9.266 -1.260 -3.239 1004 HA LEU 119 HA LEU 119 -7.017 0.441 -2.920 1005 HB2 LEU 119 2HB LEU 119 -7.559 -1.754 -4.535 1006 HB3 LEU 119 3HB LEU 119 -7.644 -0.465 -5.715 1007 HG LEU 119 HG LEU 119 -5.406 -1.258 -5.842 1008 HD11 LEU 119 1HD1 LEU 119 -5.473 1.204 -5.773 1009 HD12 LEU 119 2HD1 LEU 119 -3.960 0.572 -5.130 1010 HD13 LEU 119 3HD1 LEU 119 -5.204 1.169 -4.028 1011 HD21 LEU 119 1HD2 LEU 119 -3.926 -1.681 -3.943 1012 HD22 LEU 119 2HD2 LEU 119 -5.408 -2.621 -3.786 1013 HD23 LEU 119 3HD2 LEU 119 -5.182 -1.166 -2.813 1014 H LYS 120 H LYS 120 -9.710 0.530 -5.288 1015 HA LYS 120 HA LYS 120 -9.278 3.034 -6.446 1016 HB2 LYS 120 2HB LYS 120 -10.808 1.502 -7.481 1017 HB3 LYS 120 3HB LYS 120 -11.809 1.399 -6.034 1018 HG2 LYS 120 2HG LYS 120 -12.568 3.718 -6.362 1019 HG3 LYS 120 3HG LYS 120 -11.531 3.882 -7.779 1020 HD2 LYS 120 2HD LYS 120 -13.824 1.900 -7.522 1021 HD3 LYS 120 3HD LYS 120 -13.932 3.457 -8.345 1022 HE2 LYS 120 2HE LYS 120 -12.094 1.166 -9.125 1023 HE3 LYS 120 3HE LYS 120 -13.587 1.620 -9.949 1024 HZ1 LYS 120 1HZ LYS 120 -12.614 3.732 -10.530 1025 HZ2 LYS 120 2HZ LYS 120 -11.606 2.483 -11.060 1026 HZ3 LYS 120 3HZ LYS 120 -11.201 3.368 -9.679 1027 H GLU 121 H GLU 121 -11.030 2.168 -3.540 1028 HA GLU 121 HA GLU 121 -12.381 4.485 -2.839 1029 HB2 GLU 121 2HB GLU 121 -12.689 2.358 -1.693 1030 HB3 GLU 121 3HB GLU 121 -11.018 2.359 -1.146 1031 HG2 GLU 121 2HG GLU 121 -11.527 4.325 0.293 1032 HG3 GLU 121 3HG GLU 121 -13.211 4.237 -0.227 1033 H LEU 122 H LEU 122 -9.025 3.515 -2.109 1034 HA LEU 122 HA LEU 122 -8.287 5.794 -0.610 1035 HB2 LEU 122 2HB LEU 122 -6.509 3.952 -2.260 1036 HB3 LEU 122 3HB LEU 122 -5.938 5.125 -1.079 1037 HG LEU 122 HG LEU 122 -7.499 2.584 -0.545 1038 HD11 LEU 122 1HD1 LEU 122 -5.117 2.267 -0.840 1039 HD12 LEU 122 2HD1 LEU 122 -5.548 2.014 0.848 1040 HD13 LEU 122 3HD1 LEU 122 -4.762 3.517 0.355 1041 HD21 LEU 122 1HD2 LEU 122 -6.939 4.844 1.402 1042 HD22 LEU 122 2HD2 LEU 122 -7.446 3.223 1.868 1043 HD23 LEU 122 3HD2 LEU 122 -8.515 4.223 0.894 1044 H LEU 123 H LEU 123 -7.989 5.039 -4.080 1045 HA LEU 123 HA LEU 123 -6.553 7.261 -4.934 1046 HB2 LEU 123 2HB LEU 123 -8.541 5.463 -6.310 1047 HB3 LEU 123 3HB LEU 123 -8.000 6.903 -7.150 1048 HG LEU 123 HG LEU 123 -6.660 5.084 -7.933 1049 HD11 LEU 123 1HD1 LEU 123 -4.394 5.804 -7.412 1050 HD12 LEU 123 2HD1 LEU 123 -4.969 6.693 -6.001 1051 HD13 LEU 123 3HD1 LEU 123 -5.461 7.191 -7.622 1052 HD21 LEU 123 1HD2 LEU 123 -5.909 4.399 -5.074 1053 HD22 LEU 123 2HD2 LEU 123 -5.298 3.620 -6.537 1054 HD23 LEU 123 3HD2 LEU 123 -7.000 3.474 -6.109 1055 H GLU 124 H GLU 124 -10.013 6.990 -4.241 1056 HA GLU 124 HA GLU 124 -10.780 9.577 -5.194 1057 HB2 GLU 124 2HB GLU 124 -12.084 7.833 -3.064 1058 HB3 GLU 124 3HB GLU 124 -12.829 9.234 -3.835 1059 HG2 GLU 124 2HG GLU 124 -12.769 8.093 -6.010 1060 HG3 GLU 124 3HG GLU 124 -11.988 6.694 -5.266 1061 H LYS 125 H LYS 125 -10.065 8.283 -1.963 1062 HA LYS 125 HA LYS 125 -10.626 10.538 -0.408 1063 HB2 LYS 125 2HB LYS 125 -8.651 8.274 0.143 1064 HB3 LYS 125 3HB LYS 125 -9.278 9.384 1.361 1065 HG2 LYS 125 2HG LYS 125 -11.525 8.510 1.112 1066 HG3 LYS 125 3HG LYS 125 -11.045 7.554 -0.290 1067 HD2 LYS 125 2HD LYS 125 -11.243 6.077 1.621 1068 HD3 LYS 125 3HD LYS 125 -9.538 6.204 1.183 1069 HE2 LYS 125 2HE LYS 125 -9.858 6.285 3.621 1070 HE3 LYS 125 3HE LYS 125 -9.176 7.800 3.021 1071 HZ1 LYS 125 1HZ LYS 125 -12.027 7.311 3.699 1072 HZ2 LYS 125 2HZ LYS 125 -11.409 8.759 3.095 1073 HZ3 LYS 125 3HZ LYS 125 -10.925 8.209 4.612 1074 H VAL 126 H VAL 126 -7.568 9.477 -1.808 1075 HA VAL 126 HA VAL 126 -5.845 11.403 -0.650 1076 HB VAL 126 HB VAL 126 -5.513 9.741 -3.203 1077 HG11 VAL 126 1HG1 VAL 126 -3.949 11.636 -3.203 1078 HG12 VAL 126 2HG1 VAL 126 -3.087 10.122 -2.959 1079 HG13 VAL 126 3HG1 VAL 126 -3.381 11.195 -1.592 1080 HG21 VAL 126 1HG2 VAL 126 -5.856 8.365 -1.165 1081 HG22 VAL 126 2HG2 VAL 126 -4.491 9.173 -0.393 1082 HG23 VAL 126 3HG2 VAL 126 -4.230 8.170 -1.822 1083 H LEU 127 H LEU 127 -7.390 11.206 -3.871 1084 HA LEU 127 HA LEU 127 -6.224 13.641 -4.852 1085 HB2 LEU 127 2HB LEU 127 -8.424 11.872 -5.971 1086 HB3 LEU 127 3HB LEU 127 -7.723 13.231 -6.834 1087 HG LEU 127 HG LEU 127 -6.183 10.739 -5.980 1088 HD11 LEU 127 1HD1 LEU 127 -7.210 11.500 -8.737 1089 HD12 LEU 127 2HD1 LEU 127 -7.817 10.195 -7.715 1090 HD13 LEU 127 3HD1 LEU 127 -6.181 10.111 -8.363 1091 HD21 LEU 127 1HD2 LEU 127 -4.707 12.681 -6.096 1092 HD22 LEU 127 2HD2 LEU 127 -5.291 13.070 -7.713 1093 HD23 LEU 127 3HD2 LEU 127 -4.375 11.586 -7.439 1094 H GLU 128 H GLU 128 -9.131 12.896 -3.092 1095 HA GLU 128 HA GLU 128 -10.625 15.258 -3.796 1096 HB2 GLU 128 2HB GLU 128 -10.904 13.150 -1.610 1097 HB3 GLU 128 3HB GLU 128 -11.903 14.594 -1.584 1098 HG2 GLU 128 2HG GLU 128 -11.812 12.675 -3.917 1099 HG3 GLU 128 3HG GLU 128 -12.971 12.556 -2.598 1100 H HIS 129 H HIS 129 -9.067 14.274 -0.710 1101 HA HIS 129 HA HIS 129 -8.446 15.371 1.148 1102 HB2 HIS 129 2HB HIS 129 -6.761 16.392 -0.429 1103 HB3 HIS 129 3HB HIS 129 -7.848 17.753 -0.667 1104 HD1 HIS 129 HD1 HIS 129 -5.692 16.158 2.006 1105 HD2 HIS 129 HD2 HIS 129 -7.649 19.739 1.256 1106 HE1 HIS 129 HE1 HIS 129 -4.927 17.734 3.797 1107 HE2 HIS 129 HE2 HIS 129 -5.990 19.933 3.215 1108 H HIS 130 H HIS 130 -11.241 15.843 -0.214 1109 HA HIS 130 HA HIS 130 -12.242 18.202 1.185 1110 HB2 HIS 130 2HB HIS 130 -13.637 16.174 -0.631 1111 HB3 HIS 130 3HB HIS 130 -14.434 17.568 0.093 1112 HD1 HIS 130 HD1 HIS 130 -13.500 19.954 -0.709 1113 HD2 HIS 130 HD2 HIS 130 -12.376 16.709 -3.034 1114 HE1 HIS 130 HE1 HIS 130 -12.703 20.924 -2.877 1115 HE2 HIS 130 HE2 HIS 130 -12.153 18.941 -4.314 1116 H HIS 131 H HIS 131 -12.426 17.855 3.337 1117 HA HIS 131 HA HIS 131 -13.988 15.561 4.315 1118 HB2 HIS 131 2HB HIS 131 -11.638 14.812 4.471 1119 HB3 HIS 131 3HB HIS 131 -11.205 16.266 5.364 1120 HD1 HIS 131 HD1 HIS 131 -11.756 16.326 7.869 1121 HD2 HIS 131 HD2 HIS 131 -13.122 12.882 5.991 1122 HE1 HIS 131 HE1 HIS 131 -12.483 14.795 9.716 1123 HE2 HIS 131 HE2 HIS 131 -13.094 12.652 8.562 1124 H HIS 132 H HIS 132 -15.644 16.653 5.203 1125 HA HIS 132 HA HIS 132 -15.030 18.482 7.452 1126 HB2 HIS 132 2HB HIS 132 -17.311 19.401 7.237 1127 HB3 HIS 132 3HB HIS 132 -16.419 19.608 5.736 1128 HD1 HIS 132 HD1 HIS 132 -17.068 17.801 3.802 1129 HD2 HIS 132 HD2 HIS 132 -19.776 18.239 6.921 1130 HE1 HIS 132 HE1 HIS 132 -19.223 16.829 2.959 1131 HE2 HIS 132 HE2 HIS 132 -20.801 16.981 4.910 1132 H HIS 133 H HIS 133 -15.213 17.478 9.371 1133 HA HIS 133 HA HIS 133 -16.546 14.880 9.585 1134 HB2 HIS 133 2HB HIS 133 -14.273 15.396 10.609 1135 HB3 HIS 133 3HB HIS 133 -15.085 16.439 11.770 1136 HD1 HIS 133 HD1 HIS 133 -16.226 15.281 13.756 1137 HD2 HIS 133 HD2 HIS 133 -14.752 12.613 10.942 1138 HE1 HIS 133 HE1 HIS 133 -16.435 13.013 14.807 1139 HE2 HIS 133 HE2 HIS 133 -15.736 11.410 13.000 1140 H HIS 134 H HIS 134 -17.238 18.188 10.248 1141 HA HIS 134 HA HIS 134 -19.680 17.532 11.778 1142 HB2 HIS 134 2HB HIS 134 -18.171 20.167 11.446 1143 HB3 HIS 134 3HB HIS 134 -19.762 20.056 12.188 1144 HD1 HIS 134 HD1 HIS 134 -19.694 19.924 14.643 1145 HD2 HIS 134 HD2 HIS 134 -16.227 18.397 12.941 1146 HE1 HIS 134 HE1 HIS 134 -18.219 19.294 16.570 1147 HE2 HIS 134 HE2 HIS 134 -16.217 18.201 15.513 Start of MODEL 8 1 H1 MET 1 1H MET 1 -0.787 16.132 -2.603 2 H2 MET 1 2H MET 1 -0.486 14.495 -2.336 3 H3 MET 1 3H MET 1 0.694 15.471 -3.041 4 HA MET 1 HA MET 1 0.986 16.719 -1.066 5 HB2 MET 1 2HB MET 1 -0.280 16.250 0.978 6 HB3 MET 1 3HB MET 1 -1.395 16.612 -0.330 7 HG2 MET 1 2HG MET 1 -1.894 14.226 -0.599 8 HG3 MET 1 3HG MET 1 -0.728 13.825 0.661 9 HE1 MET 1 1HE MET 1 -4.094 13.010 2.426 10 HE2 MET 1 2HE MET 1 -2.468 12.430 2.063 11 HE3 MET 1 3HE MET 1 -3.633 12.690 0.758 12 H GLY 2 H GLY 2 1.512 13.795 -2.319 13 HA2 GLY 2 2HA GLY 2 3.065 12.136 -1.911 14 HA3 GLY 2 3HA GLY 2 3.520 12.957 -0.421 15 H THR 3 H THR 3 1.639 10.401 -1.808 16 HA THR 3 HA THR 3 0.528 9.641 0.834 17 HB THR 3 HB THR 3 -1.027 9.726 -1.798 18 HG1 THR 3 HG1 THR 3 -0.769 11.515 0.340 19 HG21 THR 3 1HG2 THR 3 -3.008 9.220 -0.415 20 HG22 THR 3 2HG2 THR 3 -1.974 9.041 1.003 21 HG23 THR 3 3HG2 THR 3 -1.828 7.908 -0.345 22 H VAL 4 H VAL 4 1.263 7.607 1.270 23 HA VAL 4 HA VAL 4 2.245 5.912 -0.961 24 HB VAL 4 HB VAL 4 3.071 5.830 1.983 25 HG11 VAL 4 1HG1 VAL 4 4.947 4.426 1.208 26 HG12 VAL 4 2HG1 VAL 4 4.310 4.472 -0.439 27 HG13 VAL 4 3HG1 VAL 4 3.392 3.671 0.840 28 HG21 VAL 4 1HG2 VAL 4 5.171 6.927 1.266 29 HG22 VAL 4 2HG2 VAL 4 3.770 7.957 0.956 30 HG23 VAL 4 3HG2 VAL 4 4.533 7.081 -0.373 31 H VAL 5 H VAL 5 0.737 4.419 -1.482 32 HA VAL 5 HA VAL 5 -0.893 3.083 0.577 33 HB VAL 5 HB VAL 5 -1.165 2.891 -2.467 34 HG11 VAL 5 1HG1 VAL 5 -3.145 2.153 -0.271 35 HG12 VAL 5 2HG1 VAL 5 -2.229 1.014 -1.266 36 HG13 VAL 5 3HG1 VAL 5 -3.447 2.053 -2.009 37 HG21 VAL 5 1HG2 VAL 5 -2.681 4.730 -0.576 38 HG22 VAL 5 2HG2 VAL 5 -2.999 4.537 -2.302 39 HG23 VAL 5 3HG2 VAL 5 -1.470 5.231 -1.761 40 H ILE 6 H ILE 6 -0.005 1.235 1.375 41 HA ILE 6 HA ILE 6 1.926 -0.320 -0.226 42 HB ILE 6 HB ILE 6 1.319 -0.407 2.771 43 HG12 ILE 6 2HG1 ILE 6 2.448 1.681 2.181 44 HG13 ILE 6 3HG1 ILE 6 3.599 0.634 3.003 45 HG21 ILE 6 1HG2 ILE 6 2.092 -2.612 2.017 46 HG22 ILE 6 2HG2 ILE 6 3.343 -1.825 2.978 47 HG23 ILE 6 3HG2 ILE 6 3.490 -1.879 1.221 48 HD11 ILE 6 1HD1 ILE 6 3.438 1.122 0.027 49 HD12 ILE 6 2HD1 ILE 6 4.572 0.023 0.817 50 HD13 ILE 6 3HD1 ILE 6 4.646 1.753 1.143 51 H VAL 7 H VAL 7 0.948 -1.831 -1.397 52 HA VAL 7 HA VAL 7 -1.367 -3.346 -0.392 53 HB VAL 7 HB VAL 7 -0.098 -3.251 -3.171 54 HG11 VAL 7 1HG1 VAL 7 -2.632 -4.674 -2.273 55 HG12 VAL 7 2HG1 VAL 7 -1.129 -5.450 -2.779 56 HG13 VAL 7 3HG1 VAL 7 -2.077 -4.520 -3.941 57 HG21 VAL 7 1HG2 VAL 7 -2.699 -2.040 -2.165 58 HG22 VAL 7 2HG2 VAL 7 -2.121 -2.000 -3.833 59 HG23 VAL 7 3HG2 VAL 7 -1.229 -1.148 -2.570 60 H VAL 8 H VAL 8 -0.797 -5.050 0.798 61 HA VAL 8 HA VAL 8 1.469 -6.792 0.000 62 HB VAL 8 HB VAL 8 -0.013 -6.610 2.673 63 HG11 VAL 8 1HG1 VAL 8 2.426 -8.272 1.951 64 HG12 VAL 8 2HG1 VAL 8 0.806 -8.888 2.283 65 HG13 VAL 8 3HG1 VAL 8 1.735 -8.112 3.567 66 HG21 VAL 8 1HG2 VAL 8 2.054 -5.610 3.589 67 HG22 VAL 8 2HG2 VAL 8 1.371 -4.615 2.300 68 HG23 VAL 8 3HG2 VAL 8 2.780 -5.629 1.978 69 H SER 9 H SER 9 0.576 -8.270 -1.426 70 HA SER 9 HA SER 9 -1.693 -9.901 -0.430 71 HB2 SER 9 2HB SER 9 -1.305 -9.082 -3.345 72 HB3 SER 9 3HB SER 9 -2.603 -10.088 -2.702 73 HG SER 9 HG SER 9 -2.548 -7.802 -1.332 74 H ARG 10 H ARG 10 -1.197 -11.996 -0.339 75 HA ARG 10 HA ARG 10 1.464 -12.894 -0.913 76 HB2 ARG 10 2HB ARG 10 -0.988 -14.484 -0.047 77 HB3 ARG 10 3HB ARG 10 0.675 -15.071 -0.020 78 HG2 ARG 10 2HG ARG 10 1.267 -13.374 1.669 79 HG3 ARG 10 3HG ARG 10 -0.381 -12.740 1.622 80 HD2 ARG 10 2HD ARG 10 -0.158 -14.155 3.565 81 HD3 ARG 10 3HD ARG 10 -1.211 -14.960 2.402 82 HE ARG 10 HE ARG 10 1.653 -15.669 2.635 83 HH11 ARG 10 1HH1 ARG 10 -1.713 -16.680 2.698 84 HH12 ARG 10 2HH1 ARG 10 -1.331 -18.372 2.793 85 HH21 ARG 10 1HH2 ARG 10 2.154 -17.880 2.790 86 HH22 ARG 10 2HH2 ARG 10 0.873 -19.054 2.846 87 H ASP 11 H ASP 11 -1.618 -13.112 -2.498 88 HA ASP 11 HA ASP 11 -0.687 -14.921 -4.592 89 HB2 ASP 11 2HB ASP 11 -2.972 -15.174 -3.631 90 HB3 ASP 11 3HB ASP 11 -3.385 -13.558 -4.187 91 H GLU 12 H GLU 12 -0.069 -14.270 -6.571 92 HA GLU 12 HA GLU 12 0.694 -11.525 -6.990 93 HB2 GLU 12 2HB GLU 12 1.032 -14.001 -8.724 94 HB3 GLU 12 3HB GLU 12 1.781 -12.437 -9.058 95 HG2 GLU 12 2HG GLU 12 3.070 -12.564 -6.998 96 HG3 GLU 12 3HG GLU 12 2.250 -14.056 -6.542 97 H ARG 13 H ARG 13 -1.839 -13.607 -8.236 98 HA ARG 13 HA ARG 13 -2.487 -12.145 -10.591 99 HB2 ARG 13 2HB ARG 13 -4.349 -13.852 -8.894 100 HB3 ARG 13 3HB ARG 13 -4.598 -13.399 -10.579 101 HG2 ARG 13 2HG ARG 13 -2.834 -14.835 -11.328 102 HG3 ARG 13 3HG ARG 13 -2.234 -15.081 -9.683 103 HD2 ARG 13 2HD ARG 13 -4.891 -16.056 -10.790 104 HD3 ARG 13 3HD ARG 13 -3.475 -17.055 -10.444 105 HE ARG 13 HE ARG 13 -3.764 -16.344 -8.058 106 HH11 ARG 13 1HH1 ARG 13 -6.590 -16.327 -10.170 107 HH12 ARG 13 2HH1 ARG 13 -7.704 -16.530 -8.854 108 HH21 ARG 13 1HH2 ARG 13 -5.206 -16.595 -6.383 109 HH22 ARG 13 2HH2 ARG 13 -6.913 -16.682 -6.697 110 H ILE 14 H ILE 14 -3.558 -11.989 -7.222 111 HA ILE 14 HA ILE 14 -5.492 -9.954 -7.442 112 HB ILE 14 HB ILE 14 -3.681 -10.663 -5.082 113 HG12 ILE 14 2HG1 ILE 14 -6.553 -11.512 -5.717 114 HG13 ILE 14 3HG1 ILE 14 -5.134 -12.545 -5.831 115 HG21 ILE 14 1HG2 ILE 14 -6.213 -8.980 -5.087 116 HG22 ILE 14 2HG2 ILE 14 -4.576 -8.387 -4.799 117 HG23 ILE 14 3HG2 ILE 14 -5.328 -9.493 -3.649 118 HD11 ILE 14 1HD1 ILE 14 -4.822 -12.357 -3.400 119 HD12 ILE 14 2HD1 ILE 14 -6.386 -13.044 -3.834 120 HD13 ILE 14 3HD1 ILE 14 -6.280 -11.367 -3.299 121 H LEU 15 H LEU 15 -1.954 -9.761 -6.776 122 HA LEU 15 HA LEU 15 -1.642 -7.030 -6.372 123 HB2 LEU 15 2HB LEU 15 0.249 -9.029 -7.655 124 HB3 LEU 15 3HB LEU 15 0.734 -7.380 -7.297 125 HG LEU 15 HG LEU 15 -0.167 -9.389 -5.190 126 HD11 LEU 15 1HD1 LEU 15 2.645 -8.503 -5.926 127 HD12 LEU 15 2HD1 LEU 15 1.939 -10.091 -6.241 128 HD13 LEU 15 3HD1 LEU 15 2.202 -9.561 -4.582 129 HD21 LEU 15 1HD2 LEU 15 1.112 -6.642 -4.886 130 HD22 LEU 15 2HD2 LEU 15 0.728 -7.760 -3.573 131 HD23 LEU 15 3HD2 LEU 15 -0.570 -7.050 -4.528 132 H GLU 16 H GLU 16 -1.569 -8.757 -9.514 133 HA GLU 16 HA GLU 16 -0.892 -6.405 -11.037 134 HB2 GLU 16 2HB GLU 16 -1.113 -7.834 -13.019 135 HB3 GLU 16 3HB GLU 16 -0.162 -8.635 -11.772 136 HG2 GLU 16 2HG GLU 16 -2.100 -10.019 -11.152 137 HG3 GLU 16 3HG GLU 16 -3.088 -9.198 -12.359 138 H GLU 17 H GLU 17 -3.909 -7.976 -10.134 139 HA GLU 17 HA GLU 17 -5.609 -6.483 -11.898 140 HB2 GLU 17 2HB GLU 17 -6.189 -7.886 -9.256 141 HB3 GLU 17 3HB GLU 17 -7.434 -7.124 -10.242 142 HG2 GLU 17 2HG GLU 17 -5.662 -9.423 -11.106 143 HG3 GLU 17 3HG GLU 17 -7.342 -9.551 -10.592 144 H LEU 18 H LEU 18 -4.482 -6.053 -8.561 145 HA LEU 18 HA LEU 18 -5.889 -3.650 -8.004 146 HB2 LEU 18 2HB LEU 18 -3.382 -4.768 -6.677 147 HB3 LEU 18 3HB LEU 18 -4.380 -3.473 -6.035 148 HG LEU 18 HG LEU 18 -5.094 -6.415 -6.281 149 HD11 LEU 18 1HD1 LEU 18 -5.468 -6.280 -3.858 150 HD12 LEU 18 2HD1 LEU 18 -4.981 -4.583 -3.873 151 HD13 LEU 18 3HD1 LEU 18 -3.817 -5.840 -4.294 152 HD21 LEU 18 1HD2 LEU 18 -7.332 -5.890 -5.439 153 HD22 LEU 18 2HD2 LEU 18 -7.046 -5.182 -7.025 154 HD23 LEU 18 3HD2 LEU 18 -6.988 -4.166 -5.583 155 H LEU 19 H LEU 19 -2.853 -4.365 -9.571 156 HA LEU 19 HA LEU 19 -1.627 -1.860 -9.647 157 HB2 LEU 19 2HB LEU 19 -0.530 -3.919 -10.454 158 HB3 LEU 19 3HB LEU 19 -1.682 -4.036 -11.773 159 HG LEU 19 HG LEU 19 -0.763 -1.861 -12.692 160 HD11 LEU 19 1HD1 LEU 19 0.172 -0.918 -10.650 161 HD12 LEU 19 2HD1 LEU 19 1.407 -1.047 -11.898 162 HD13 LEU 19 3HD1 LEU 19 1.371 -2.211 -10.571 163 HD21 LEU 19 1HD2 LEU 19 1.260 -2.826 -13.648 164 HD22 LEU 19 2HD2 LEU 19 -0.039 -4.017 -13.608 165 HD23 LEU 19 3HD2 LEU 19 1.266 -4.096 -12.419 166 H GLU 20 H GLU 20 -3.864 -3.350 -12.009 167 HA GLU 20 HA GLU 20 -4.295 -1.150 -13.653 168 HB2 GLU 20 2HB GLU 20 -6.028 -3.543 -12.986 169 HB3 GLU 20 3HB GLU 20 -6.592 -2.305 -14.099 170 HG2 GLU 20 2HG GLU 20 -4.081 -3.965 -14.452 171 HG3 GLU 20 3HG GLU 20 -5.625 -4.248 -15.256 172 H VAL 21 H VAL 21 -6.012 -2.097 -10.659 173 HA VAL 21 HA VAL 21 -8.189 -0.355 -10.878 174 HB VAL 21 HB VAL 21 -6.919 -1.343 -8.279 175 HG11 VAL 21 1HG1 VAL 21 -9.156 -0.981 -7.275 176 HG12 VAL 21 2HG1 VAL 21 -9.734 -0.285 -8.790 177 HG13 VAL 21 3HG1 VAL 21 -8.467 0.532 -7.873 178 HG21 VAL 21 1HG2 VAL 21 -8.597 -3.152 -8.341 179 HG22 VAL 21 2HG2 VAL 21 -7.549 -3.218 -9.753 180 HG23 VAL 21 3HG2 VAL 21 -9.181 -2.576 -9.909 181 H VAL 22 H VAL 22 -4.942 0.281 -9.514 182 HA VAL 22 HA VAL 22 -5.466 2.941 -8.616 183 HB VAL 22 HB VAL 22 -2.781 1.892 -9.627 184 HG11 VAL 22 1HG1 VAL 22 -3.427 4.147 -7.683 185 HG12 VAL 22 2HG1 VAL 22 -2.870 4.341 -9.347 186 HG13 VAL 22 3HG1 VAL 22 -1.809 3.612 -8.139 187 HG21 VAL 22 1HG2 VAL 22 -3.893 1.716 -6.805 188 HG22 VAL 22 2HG2 VAL 22 -2.259 1.264 -7.304 189 HG23 VAL 22 3HG2 VAL 22 -3.650 0.362 -7.910 190 H LEU 23 H LEU 23 -4.212 1.598 -11.656 191 HA LEU 23 HA LEU 23 -3.389 4.041 -12.818 192 HB2 LEU 23 2HB LEU 23 -3.975 1.383 -14.170 193 HB3 LEU 23 3HB LEU 23 -3.061 2.704 -14.882 194 HG LEU 23 HG LEU 23 -2.210 1.071 -12.456 195 HD11 LEU 23 1HD1 LEU 23 -0.469 0.127 -13.903 196 HD12 LEU 23 2HD1 LEU 23 -1.127 1.008 -15.287 197 HD13 LEU 23 3HD1 LEU 23 -2.085 -0.250 -14.501 198 HD21 LEU 23 1HD2 LEU 23 -0.035 2.218 -12.666 199 HD22 LEU 23 2HD2 LEU 23 -1.347 3.317 -12.240 200 HD23 LEU 23 3HD2 LEU 23 -0.727 3.285 -13.893 201 H LYS 24 H LYS 24 -6.524 2.375 -12.906 202 HA LYS 24 HA LYS 24 -7.473 4.015 -15.146 203 HB2 LYS 24 2HB LYS 24 -9.494 2.427 -13.586 204 HB3 LYS 24 3HB LYS 24 -9.363 2.680 -15.315 205 HG2 LYS 24 2HG LYS 24 -7.844 0.707 -13.611 206 HG3 LYS 24 3HG LYS 24 -9.075 0.346 -14.811 207 HD2 LYS 24 2HD LYS 24 -6.356 1.549 -15.449 208 HD3 LYS 24 3HD LYS 24 -6.719 -0.174 -15.508 209 HE2 LYS 24 2HE LYS 24 -8.425 0.274 -17.264 210 HE3 LYS 24 3HE LYS 24 -7.966 1.983 -17.240 211 HZ1 LYS 24 1HZ LYS 24 -6.850 0.688 -19.003 212 HZ2 LYS 24 2HZ LYS 24 -6.092 -0.252 -17.820 213 HZ3 LYS 24 3HZ LYS 24 -5.757 1.401 -17.928 214 H SER 25 H SER 25 -7.768 3.869 -11.617 215 HA SER 25 HA SER 25 -9.794 5.828 -11.258 216 HB2 SER 25 2HB SER 25 -7.509 5.028 -9.389 217 HB3 SER 25 3HB SER 25 -8.903 6.006 -8.918 218 HG SER 25 HG SER 25 -8.704 3.375 -8.941 219 H ASP 26 H ASP 26 -6.246 6.017 -11.305 220 HA ASP 26 HA ASP 26 -6.238 8.606 -12.519 221 HB2 ASP 26 2HB ASP 26 -6.529 9.205 -10.086 222 HB3 ASP 26 3HB ASP 26 -5.013 8.385 -9.730 223 HA PRO 27 HA PRO 27 -2.611 6.191 -13.924 224 HB2 PRO 27 2HB PRO 27 -2.396 8.208 -16.091 225 HB3 PRO 27 3HB PRO 27 -2.764 6.476 -16.201 226 HG2 PRO 27 2HG PRO 27 -4.634 8.355 -16.709 227 HG3 PRO 27 3HG PRO 27 -5.045 6.789 -15.969 228 HD2 PRO 27 2HD PRO 27 -4.660 9.466 -14.616 229 HD3 PRO 27 3HD PRO 27 -5.949 8.257 -14.384 230 H ASN 28 H ASN 28 -2.690 9.478 -12.884 231 HA ASN 28 HA ASN 28 0.102 10.097 -13.393 232 HB2 ASN 28 2HB ASN 28 -1.830 11.623 -11.591 233 HB3 ASN 28 3HB ASN 28 -0.334 12.230 -12.289 234 HD21 ASN 28 1HD2 ASN 28 -3.667 11.469 -12.865 235 HD22 ASN 28 2HD2 ASN 28 -3.791 12.213 -14.425 236 H VAL 29 H VAL 29 -1.779 8.696 -10.793 237 HA VAL 29 HA VAL 29 0.134 8.848 -8.702 238 HB VAL 29 HB VAL 29 -1.976 6.684 -9.203 239 HG11 VAL 29 1HG1 VAL 29 -0.432 7.312 -6.654 240 HG12 VAL 29 2HG1 VAL 29 -0.270 5.856 -7.640 241 HG13 VAL 29 3HG1 VAL 29 -1.776 6.172 -6.776 242 HG21 VAL 29 1HG2 VAL 29 -2.979 8.924 -8.977 243 HG22 VAL 29 2HG2 VAL 29 -2.126 9.167 -7.450 244 HG23 VAL 29 3HG2 VAL 29 -3.369 7.920 -7.577 245 H LYS 30 H LYS 30 2.011 7.775 -8.418 246 HA LYS 30 HA LYS 30 3.100 6.075 -10.470 247 HB2 LYS 30 2HB LYS 30 4.471 7.720 -9.203 248 HB3 LYS 30 3HB LYS 30 4.212 6.807 -7.723 249 HG2 LYS 30 2HG LYS 30 6.438 6.372 -8.624 250 HG3 LYS 30 3HG LYS 30 5.466 4.897 -8.689 251 HD2 LYS 30 2HD LYS 30 5.057 5.265 -11.100 252 HD3 LYS 30 3HD LYS 30 5.971 6.774 -11.037 253 HE2 LYS 30 2HE LYS 30 8.014 5.525 -10.469 254 HE3 LYS 30 3HE LYS 30 7.102 4.013 -10.478 255 HZ1 LYS 30 1HZ LYS 30 6.657 4.312 -12.822 256 HZ2 LYS 30 2HZ LYS 30 8.322 4.367 -12.544 257 HZ3 LYS 30 3HZ LYS 30 7.470 5.795 -12.830 258 H THR 31 H THR 31 3.345 3.882 -10.438 259 HA THR 31 HA THR 31 2.609 2.346 -8.011 260 HB THR 31 HB THR 31 1.627 0.606 -9.598 261 HG1 THR 31 HG1 THR 31 1.689 2.787 -11.437 262 HG21 THR 31 1HG2 THR 31 -0.559 1.694 -9.863 263 HG22 THR 31 2HG2 THR 31 0.172 3.269 -9.545 264 HG23 THR 31 3HG2 THR 31 0.125 2.044 -8.274 265 H VAL 32 H VAL 32 3.955 0.720 -7.561 266 HA VAL 32 HA VAL 32 6.040 -0.146 -9.463 267 HB VAL 32 HB VAL 32 6.606 0.652 -6.553 268 HG11 VAL 32 1HG1 VAL 32 8.977 0.237 -7.106 269 HG12 VAL 32 2HG1 VAL 32 8.510 -0.299 -8.720 270 HG13 VAL 32 3HG1 VAL 32 7.999 -1.220 -7.303 271 HG21 VAL 32 1HG2 VAL 32 6.261 2.682 -7.899 272 HG22 VAL 32 2HG2 VAL 32 7.451 2.124 -9.078 273 HG23 VAL 32 3HG2 VAL 32 7.959 2.521 -7.434 274 H ARG 33 H ARG 33 6.289 -2.351 -9.372 275 HA ARG 33 HA ARG 33 5.296 -3.802 -6.990 276 HB2 ARG 33 2HB ARG 33 4.110 -4.479 -9.065 277 HB3 ARG 33 3HB ARG 33 5.651 -4.862 -9.827 278 HG2 ARG 33 2HG ARG 33 6.052 -6.604 -8.087 279 HG3 ARG 33 3HG ARG 33 4.471 -6.250 -7.397 280 HD2 ARG 33 2HD ARG 33 3.335 -7.125 -9.321 281 HD3 ARG 33 3HD ARG 33 4.834 -7.188 -10.262 282 HE ARG 33 HE ARG 33 5.373 -8.791 -8.139 283 HH11 ARG 33 1HH1 ARG 33 2.739 -8.840 -10.503 284 HH12 ARG 33 2HH1 ARG 33 2.544 -10.564 -10.400 285 HH21 ARG 33 1HH2 ARG 33 5.127 -11.018 -8.070 286 HH22 ARG 33 2HH2 ARG 33 3.903 -11.798 -9.019 287 H THR 34 H THR 34 7.146 -3.561 -5.795 288 HA THR 34 HA THR 34 9.535 -5.066 -6.702 289 HB THR 34 HB THR 34 10.160 -2.693 -6.473 290 HG1 THR 34 HG1 THR 34 11.941 -3.562 -5.735 291 HG21 THR 34 1HG2 THR 34 8.403 -1.941 -4.915 292 HG22 THR 34 2HG2 THR 34 10.007 -1.488 -4.333 293 HG23 THR 34 3HG2 THR 34 9.162 -2.858 -3.610 294 H ASP 35 H ASP 35 10.690 -6.095 -4.860 295 HA ASP 35 HA ASP 35 8.894 -6.949 -2.653 296 HB2 ASP 35 2HB ASP 35 10.217 -9.016 -2.535 297 HB3 ASP 35 3HB ASP 35 9.625 -8.781 -4.176 298 H ASP 36 H ASP 36 11.767 -5.256 -3.472 299 HA ASP 36 HA ASP 36 13.151 -5.698 -0.933 300 HB2 ASP 36 2HB ASP 36 14.476 -5.764 -2.976 301 HB3 ASP 36 3HB ASP 36 13.900 -4.177 -3.466 302 H LYS 37 H LYS 37 12.785 -4.453 0.736 303 HA LYS 37 HA LYS 37 11.119 -2.126 0.696 304 HB2 LYS 37 2HB LYS 37 11.414 -2.191 3.169 305 HB3 LYS 37 3HB LYS 37 10.935 -3.741 2.485 306 HG2 LYS 37 2HG LYS 37 13.343 -4.468 2.595 307 HG3 LYS 37 3HG LYS 37 13.708 -2.964 3.451 308 HD2 LYS 37 2HD LYS 37 12.210 -3.601 5.283 309 HD3 LYS 37 3HD LYS 37 11.695 -5.044 4.406 310 HE2 LYS 37 2HE LYS 37 13.995 -5.947 4.561 311 HE3 LYS 37 3HE LYS 37 14.494 -4.509 5.456 312 HZ1 LYS 37 1HZ LYS 37 14.042 -6.295 6.973 313 HZ2 LYS 37 2HZ LYS 37 12.499 -6.532 6.333 314 HZ3 LYS 37 3HZ LYS 37 12.851 -5.109 7.177 315 H GLU 38 H GLU 38 14.463 -2.430 0.240 316 HA GLU 38 HA GLU 38 15.270 0.092 1.448 317 HB2 GLU 38 2HB GLU 38 16.813 -1.599 -0.571 318 HB3 GLU 38 3HB GLU 38 17.468 -0.361 0.499 319 HG2 GLU 38 2HG GLU 38 16.904 -1.795 2.458 320 HG3 GLU 38 3HG GLU 38 16.318 -3.037 1.352 321 H LYS 39 H LYS 39 14.572 -1.203 -1.762 322 HA LYS 39 HA LYS 39 15.051 1.101 -3.320 323 HB2 LYS 39 2HB LYS 39 14.972 -1.105 -4.306 324 HB3 LYS 39 3HB LYS 39 13.285 -1.307 -3.834 325 HG2 LYS 39 2HG LYS 39 12.554 0.349 -5.411 326 HG3 LYS 39 3HG LYS 39 14.211 0.885 -5.718 327 HD2 LYS 39 2HD LYS 39 14.750 -1.187 -6.824 328 HD3 LYS 39 3HD LYS 39 13.211 -1.894 -6.343 329 HE2 LYS 39 2HE LYS 39 13.511 0.469 -8.223 330 HE3 LYS 39 3HE LYS 39 13.265 -1.197 -8.739 331 HZ1 LYS 39 1HZ LYS 39 11.366 0.244 -6.973 332 HZ2 LYS 39 2HZ LYS 39 11.113 -1.216 -7.790 333 HZ3 LYS 39 3HZ LYS 39 11.235 0.230 -8.655 334 H VAL 40 H VAL 40 12.142 -0.184 -1.741 335 HA VAL 40 HA VAL 40 10.206 1.570 -2.641 336 HB VAL 40 HB VAL 40 10.388 0.458 0.199 337 HG11 VAL 40 1HG1 VAL 40 7.905 0.642 0.186 338 HG12 VAL 40 2HG1 VAL 40 7.982 1.423 -1.394 339 HG13 VAL 40 3HG1 VAL 40 8.688 2.216 0.014 340 HG21 VAL 40 1HG2 VAL 40 10.556 -1.343 -1.483 341 HG22 VAL 40 2HG2 VAL 40 9.061 -0.787 -2.233 342 HG23 VAL 40 3HG2 VAL 40 9.037 -1.436 -0.590 343 H LYS 41 H LYS 41 12.564 2.026 -0.002 344 HA LYS 41 HA LYS 41 11.624 4.399 1.135 345 HB2 LYS 41 2HB LYS 41 14.509 3.474 0.810 346 HB3 LYS 41 3HB LYS 41 14.008 4.820 1.833 347 HG2 LYS 41 2HG LYS 41 12.585 3.212 3.136 348 HG3 LYS 41 3HG LYS 41 13.296 1.898 2.187 349 HD2 LYS 41 2HD LYS 41 15.565 2.603 2.990 350 HD3 LYS 41 3HD LYS 41 14.798 3.845 3.986 351 HE2 LYS 41 2HE LYS 41 15.318 1.937 5.373 352 HE3 LYS 41 3HE LYS 41 13.566 2.036 5.199 353 HZ1 LYS 41 1HZ LYS 41 14.345 -0.219 4.970 354 HZ2 LYS 41 2HZ LYS 41 15.362 0.210 3.692 355 HZ3 LYS 41 3HZ LYS 41 13.683 0.309 3.507 356 H GLU 42 H GLU 42 13.925 3.912 -1.515 357 HA GLU 42 HA GLU 42 14.597 6.563 -2.091 358 HB2 GLU 42 2HB GLU 42 14.376 4.223 -4.038 359 HB3 GLU 42 3HB GLU 42 15.238 5.730 -4.346 360 HG2 GLU 42 2HG GLU 42 16.796 5.210 -2.498 361 HG3 GLU 42 3HG GLU 42 15.934 3.696 -2.211 362 H GLU 43 H GLU 43 12.001 4.511 -3.296 363 HA GLU 43 HA GLU 43 10.945 6.406 -5.176 364 HB2 GLU 43 2HB GLU 43 9.763 3.797 -4.130 365 HB3 GLU 43 3HB GLU 43 9.227 4.678 -5.562 366 HG2 GLU 43 2HG GLU 43 11.445 4.350 -6.609 367 HG3 GLU 43 3HG GLU 43 11.987 3.468 -5.185 368 H ILE 44 H ILE 44 10.267 5.711 -1.802 369 HA ILE 44 HA ILE 44 7.797 7.152 -1.589 370 HB ILE 44 HB ILE 44 9.877 6.322 0.491 371 HG12 ILE 44 2HG1 ILE 44 7.013 5.363 0.025 372 HG13 ILE 44 3HG1 ILE 44 8.464 4.503 -0.475 373 HG21 ILE 44 1HG2 ILE 44 7.258 7.743 1.086 374 HG22 ILE 44 2HG2 ILE 44 8.874 8.410 1.323 375 HG23 ILE 44 3HG2 ILE 44 8.338 7.036 2.289 376 HD11 ILE 44 1HD1 ILE 44 7.551 3.517 1.520 377 HD12 ILE 44 2HD1 ILE 44 7.607 5.065 2.363 378 HD13 ILE 44 3HD1 ILE 44 9.106 4.261 1.890 379 H GLU 45 H GLU 45 11.235 7.977 -1.271 380 HA GLU 45 HA GLU 45 10.960 10.698 -0.526 381 HB2 GLU 45 2HB GLU 45 13.212 9.324 -2.057 382 HB3 GLU 45 3HB GLU 45 13.301 10.956 -1.398 383 HG2 GLU 45 2HG GLU 45 13.035 10.063 0.880 384 HG3 GLU 45 3HG GLU 45 12.935 8.426 0.230 385 H LYS 46 H LYS 46 11.265 9.092 -3.686 386 HA LYS 46 HA LYS 46 11.271 11.347 -5.368 387 HB2 LYS 46 2HB LYS 46 10.172 8.553 -5.924 388 HB3 LYS 46 3HB LYS 46 10.471 9.776 -7.157 389 HG2 LYS 46 2HG LYS 46 12.887 9.716 -6.658 390 HG3 LYS 46 3HG LYS 46 12.598 8.531 -5.385 391 HD2 LYS 46 2HD LYS 46 13.414 7.389 -7.378 392 HD3 LYS 46 3HD LYS 46 11.734 6.931 -7.087 393 HE2 LYS 46 2HE LYS 46 12.171 7.344 -9.481 394 HE3 LYS 46 3HE LYS 46 10.992 8.490 -8.843 395 HZ1 LYS 46 1HZ LYS 46 12.607 9.595 -10.245 396 HZ2 LYS 46 2HZ LYS 46 13.881 9.024 -9.293 397 HZ3 LYS 46 3HZ LYS 46 12.779 10.128 -8.648 398 H ALA 47 H ALA 47 8.612 9.461 -3.992 399 HA ALA 47 HA ALA 47 6.495 10.803 -5.310 400 HB1 ALA 47 1HB ALA 47 5.027 9.681 -3.688 401 HB2 ALA 47 2HB ALA 47 6.432 9.222 -2.718 402 HB3 ALA 47 3HB ALA 47 6.224 8.564 -4.343 403 H ARG 48 H ARG 48 8.072 11.300 -2.160 404 HA ARG 48 HA ARG 48 6.171 13.161 -1.142 405 HB2 ARG 48 2HB ARG 48 7.654 11.863 0.340 406 HB3 ARG 48 3HB ARG 48 9.068 12.683 -0.319 407 HG2 ARG 48 2HG ARG 48 8.239 14.837 0.586 408 HG3 ARG 48 3HG ARG 48 6.821 14.015 1.237 409 HD2 ARG 48 2HD ARG 48 8.261 12.695 2.736 410 HD3 ARG 48 3HD ARG 48 9.696 13.477 2.059 411 HE ARG 48 HE ARG 48 7.781 15.351 3.094 412 HH11 ARG 48 1HH1 ARG 48 10.454 13.259 4.087 413 HH12 ARG 48 2HH1 ARG 48 10.814 14.208 5.496 414 HH21 ARG 48 1HH2 ARG 48 8.256 16.578 4.893 415 HH22 ARG 48 2HH2 ARG 48 9.546 16.121 5.962 416 H LYS 49 H LYS 49 9.371 13.588 -2.665 417 HA LYS 49 HA LYS 49 9.493 16.414 -2.291 418 HB2 LYS 49 2HB LYS 49 11.485 16.346 -3.689 419 HB3 LYS 49 3HB LYS 49 11.500 14.998 -2.562 420 HG2 LYS 49 2HG LYS 49 10.728 13.494 -4.398 421 HG3 LYS 49 3HG LYS 49 10.824 14.852 -5.522 422 HD2 LYS 49 2HD LYS 49 13.148 13.636 -3.967 423 HD3 LYS 49 3HD LYS 49 12.827 13.424 -5.687 424 HE2 LYS 49 2HE LYS 49 13.181 15.854 -6.044 425 HE3 LYS 49 3HE LYS 49 13.516 16.051 -4.322 426 HZ1 LYS 49 1HZ LYS 49 15.566 15.921 -5.551 427 HZ2 LYS 49 2HZ LYS 49 15.117 14.448 -6.248 428 HZ3 LYS 49 3HZ LYS 49 15.415 14.539 -4.589 429 H GLN 50 H GLN 50 8.132 14.416 -4.800 430 HA GLN 50 HA GLN 50 7.616 16.697 -6.580 431 HB2 GLN 50 2HB GLN 50 6.986 13.730 -6.884 432 HB3 GLN 50 3HB GLN 50 6.645 14.959 -8.103 433 HG2 GLN 50 2HG GLN 50 9.078 15.460 -8.230 434 HG3 GLN 50 3HG GLN 50 9.388 14.166 -7.082 435 HE21 GLN 50 1HE2 GLN 50 9.163 12.012 -7.775 436 HE22 GLN 50 2HE2 GLN 50 9.129 11.592 -9.451 437 H GLY 51 H GLY 51 6.169 15.121 -3.955 438 HA2 GLY 51 2HA GLY 51 4.191 15.501 -2.865 439 HA3 GLY 51 3HA GLY 51 3.747 16.661 -4.103 440 H ARG 52 H ARG 52 4.597 13.633 -5.406 441 HA ARG 52 HA ARG 52 1.838 13.159 -6.232 442 HB2 ARG 52 2HB ARG 52 2.732 11.637 -7.865 443 HB3 ARG 52 3HB ARG 52 3.761 13.062 -7.869 444 HG2 ARG 52 2HG ARG 52 5.478 11.861 -6.590 445 HG3 ARG 52 3HG ARG 52 4.427 10.447 -6.481 446 HD2 ARG 52 2HD ARG 52 6.067 10.054 -8.210 447 HD3 ARG 52 3HD ARG 52 4.490 10.259 -8.976 448 HE ARG 52 HE ARG 52 6.650 12.284 -8.929 449 HH11 ARG 52 1HH1 ARG 52 3.818 10.923 -10.496 450 HH12 ARG 52 2HH1 ARG 52 3.927 11.971 -11.872 451 HH21 ARG 52 1HH2 ARG 52 6.786 13.657 -10.735 452 HH22 ARG 52 2HH2 ARG 52 5.618 13.529 -12.008 453 HA PRO 53 HA PRO 53 1.420 9.561 -3.470 454 HB2 PRO 53 2HB PRO 53 -0.672 8.470 -5.250 455 HB3 PRO 53 3HB PRO 53 -0.845 9.169 -3.628 456 HG2 PRO 53 2HG PRO 53 -1.796 10.407 -5.852 457 HG3 PRO 53 3HG PRO 53 -1.231 11.298 -4.421 458 HD2 PRO 53 2HD PRO 53 0.232 10.752 -7.001 459 HD3 PRO 53 3HD PRO 53 0.107 12.267 -6.068 460 H ILE 54 H ILE 54 1.788 7.268 -3.511 461 HA ILE 54 HA ILE 54 2.603 5.995 -6.012 462 HB ILE 54 HB ILE 54 4.697 7.005 -5.092 463 HG12 ILE 54 2HG1 ILE 54 4.724 3.959 -4.899 464 HG13 ILE 54 3HG1 ILE 54 4.729 4.854 -6.412 465 HG21 ILE 54 1HG2 ILE 54 4.166 6.960 -2.684 466 HG22 ILE 54 2HG2 ILE 54 5.713 6.173 -3.003 467 HG23 ILE 54 3HG2 ILE 54 4.276 5.198 -2.684 468 HD11 ILE 54 1HD1 ILE 54 6.937 4.073 -5.854 469 HD12 ILE 54 2HD1 ILE 54 6.887 4.921 -4.308 470 HD13 ILE 54 3HD1 ILE 54 6.888 5.835 -5.820 471 H VAL 55 H VAL 55 2.284 3.763 -5.978 472 HA VAL 55 HA VAL 55 1.199 2.556 -3.497 473 HB VAL 55 HB VAL 55 0.227 1.936 -6.333 474 HG11 VAL 55 1HG1 VAL 55 -0.876 1.091 -3.626 475 HG12 VAL 55 2HG1 VAL 55 -0.026 0.051 -4.775 476 HG13 VAL 55 3HG1 VAL 55 -1.602 0.724 -5.193 477 HG21 VAL 55 1HG2 VAL 55 -1.154 3.640 -4.225 478 HG22 VAL 55 2HG2 VAL 55 -1.855 3.143 -5.767 479 HG23 VAL 55 3HG2 VAL 55 -0.459 4.223 -5.741 480 H ILE 56 H ILE 56 2.408 0.868 -2.860 481 HA ILE 56 HA ILE 56 4.360 -0.344 -4.728 482 HB ILE 56 HB ILE 56 4.398 -0.230 -1.675 483 HG12 ILE 56 2HG1 ILE 56 4.788 2.000 -2.777 484 HG13 ILE 56 3HG1 ILE 56 6.175 1.431 -1.861 485 HG21 ILE 56 1HG2 ILE 56 6.729 -1.072 -1.851 486 HG22 ILE 56 2HG2 ILE 56 6.519 -1.277 -3.591 487 HG23 ILE 56 3HG2 ILE 56 5.555 -2.238 -2.468 488 HD11 ILE 56 1HD1 ILE 56 7.270 0.751 -3.954 489 HD12 ILE 56 2HD1 ILE 56 6.861 2.465 -3.932 490 HD13 ILE 56 3HD1 ILE 56 5.873 1.342 -4.862 491 H PHE 57 H PHE 57 4.046 -2.420 -5.274 492 HA PHE 57 HA PHE 57 2.041 -4.068 -3.870 493 HB2 PHE 57 2HB PHE 57 3.079 -4.289 -6.737 494 HB3 PHE 57 3HB PHE 57 1.832 -5.303 -6.014 495 HD1 PHE 57 HD1 PHE 57 -0.438 -4.434 -5.638 496 HD2 PHE 57 HD2 PHE 57 2.583 -1.954 -7.388 497 HE1 PHE 57 HE1 PHE 57 -2.150 -2.811 -6.329 498 HE2 PHE 57 HE2 PHE 57 0.856 -0.347 -8.071 499 HZ PHE 57 HZ PHE 57 -1.505 -0.771 -7.540 500 H ILE 58 H ILE 58 3.082 -5.374 -2.456 501 HA ILE 58 HA ILE 58 5.504 -6.827 -3.363 502 HB ILE 58 HB ILE 58 4.826 -6.212 -0.448 503 HG12 ILE 58 2HG1 ILE 58 6.821 -4.812 -2.291 504 HG13 ILE 58 3HG1 ILE 58 5.370 -4.100 -1.601 505 HG21 ILE 58 1HG2 ILE 58 7.349 -7.355 -1.723 506 HG22 ILE 58 2HG2 ILE 58 6.176 -8.258 -0.760 507 HG23 ILE 58 3HG2 ILE 58 7.147 -6.991 -0.008 508 HD11 ILE 58 1HD1 ILE 58 7.801 -5.001 -0.065 509 HD12 ILE 58 2HD1 ILE 58 6.340 -4.292 0.628 510 HD13 ILE 58 3HD1 ILE 58 7.351 -3.342 -0.459 511 H ARG 59 H ARG 59 5.299 -8.956 -3.519 512 HA ARG 59 HA ARG 59 2.927 -10.377 -2.823 513 HB2 ARG 59 2HB ARG 59 4.244 -11.077 -4.750 514 HB3 ARG 59 3HB ARG 59 5.673 -11.317 -3.748 515 HG2 ARG 59 2HG ARG 59 4.485 -13.169 -2.565 516 HG3 ARG 59 3HG ARG 59 3.118 -12.960 -3.664 517 HD2 ARG 59 2HD ARG 59 4.593 -14.819 -4.345 518 HD3 ARG 59 3HD ARG 59 4.524 -13.548 -5.568 519 HE ARG 59 HE ARG 59 6.725 -13.082 -3.868 520 HH11 ARG 59 1HH1 ARG 59 5.752 -15.308 -6.435 521 HH12 ARG 59 2HH1 ARG 59 7.391 -15.626 -6.921 522 HH21 ARG 59 1HH2 ARG 59 8.829 -13.502 -4.523 523 HH22 ARG 59 2HH2 ARG 59 9.139 -14.600 -5.834 524 H GLY 60 H GLY 60 2.451 -10.584 -0.738 525 HA2 GLY 60 2HA GLY 60 2.496 -11.237 1.452 526 HA3 GLY 60 3HA GLY 60 3.597 -12.488 0.899 527 H ALA 61 H ALA 61 3.934 -8.932 1.243 528 HA ALA 61 HA ALA 61 6.469 -8.958 2.451 529 HB1 ALA 61 1HB ALA 61 5.978 -6.637 3.132 530 HB2 ALA 61 2HB ALA 61 4.275 -6.878 2.738 531 HB3 ALA 61 3HB ALA 61 5.486 -6.928 1.462 532 H THR 62 H THR 62 6.935 -9.968 4.309 533 HA THR 62 HA THR 62 5.069 -10.565 6.395 534 HB THR 62 HB THR 62 7.004 -12.023 5.983 535 HG1 THR 62 HG1 THR 62 6.832 -12.490 8.018 536 HG21 THR 62 1HG2 THR 62 8.731 -9.726 6.971 537 HG22 THR 62 2HG2 THR 62 8.680 -10.336 5.315 538 HG23 THR 62 3HG2 THR 62 9.293 -11.364 6.613 539 H GLU 63 H GLU 63 5.656 -9.935 8.741 540 HA GLU 63 HA GLU 63 4.933 -7.271 9.080 541 HB2 GLU 63 2HB GLU 63 4.489 -9.162 10.664 542 HB3 GLU 63 3HB GLU 63 6.172 -9.140 11.148 543 HG2 GLU 63 2HG GLU 63 4.459 -6.673 11.496 544 HG3 GLU 63 3HG GLU 63 4.362 -7.993 12.658 545 H GLU 64 H GLU 64 8.176 -8.719 9.123 546 HA GLU 64 HA GLU 64 9.421 -6.352 10.191 547 HB2 GLU 64 2HB GLU 64 11.506 -7.520 10.062 548 HB3 GLU 64 3HB GLU 64 10.280 -8.624 10.651 549 HG2 GLU 64 2HG GLU 64 11.420 -10.012 9.217 550 HG3 GLU 64 3HG GLU 64 10.174 -9.402 8.133 551 H VAL 65 H VAL 65 8.637 -7.382 6.940 552 HA VAL 65 HA VAL 65 10.219 -5.336 5.643 553 HB VAL 65 HB VAL 65 7.795 -6.887 4.601 554 HG11 VAL 65 1HG1 VAL 65 9.729 -5.136 3.027 555 HG12 VAL 65 2HG1 VAL 65 8.032 -4.776 3.353 556 HG13 VAL 65 3HG1 VAL 65 8.459 -6.149 2.331 557 HG21 VAL 65 1HG2 VAL 65 9.414 -8.241 3.330 558 HG22 VAL 65 2HG2 VAL 65 9.728 -8.347 5.064 559 HG23 VAL 65 3HG2 VAL 65 10.750 -7.330 4.047 560 H VAL 66 H VAL 66 6.816 -5.696 6.643 561 HA VAL 66 HA VAL 66 5.874 -3.303 5.464 562 HB VAL 66 HB VAL 66 4.596 -4.894 7.735 563 HG11 VAL 66 1HG1 VAL 66 3.360 -2.927 5.765 564 HG12 VAL 66 2HG1 VAL 66 3.587 -2.671 7.496 565 HG13 VAL 66 3HG1 VAL 66 2.462 -3.905 6.932 566 HG21 VAL 66 1HG2 VAL 66 4.175 -5.193 4.734 567 HG22 VAL 66 2HG2 VAL 66 3.315 -6.079 5.997 568 HG23 VAL 66 3HG2 VAL 66 5.046 -6.328 5.768 569 H ARG 67 H ARG 67 6.950 -4.094 8.782 570 HA ARG 67 HA ARG 67 6.273 -1.782 10.162 571 HB2 ARG 67 2HB ARG 67 8.049 -2.299 11.769 572 HB3 ARG 67 3HB ARG 67 7.293 -3.806 11.262 573 HG2 ARG 67 2HG ARG 67 9.170 -4.383 9.873 574 HG3 ARG 67 3HG ARG 67 9.870 -2.778 10.044 575 HD2 ARG 67 2HD ARG 67 11.153 -4.236 11.400 576 HD3 ARG 67 3HD ARG 67 10.176 -3.261 12.493 577 HE ARG 67 HE ARG 67 8.650 -5.445 12.293 578 HH11 ARG 67 1HH1 ARG 67 12.138 -5.187 12.843 579 HH12 ARG 67 2HH1 ARG 67 12.226 -6.673 13.739 580 HH21 ARG 67 1HH2 ARG 67 8.797 -7.408 13.441 581 HH22 ARG 67 2HH2 ARG 67 10.328 -7.934 14.079 582 H ASP 68 H ASP 68 8.954 -2.436 8.018 583 HA ASP 68 HA ASP 68 10.638 -0.252 8.732 584 HB2 ASP 68 2HB ASP 68 11.595 -2.341 7.961 585 HB3 ASP 68 3HB ASP 68 10.653 -2.305 6.478 586 H ILE 69 H ILE 69 8.661 -1.038 5.893 587 HA ILE 69 HA ILE 69 9.193 1.333 4.423 588 HB ILE 69 HB ILE 69 6.869 -0.631 4.243 589 HG12 ILE 69 2HG1 ILE 69 9.462 -0.487 2.628 590 HG13 ILE 69 3HG1 ILE 69 9.120 -1.657 3.899 591 HG21 ILE 69 1HG2 ILE 69 7.750 1.483 2.250 592 HG22 ILE 69 2HG2 ILE 69 6.241 1.468 3.167 593 HG23 ILE 69 3HG2 ILE 69 6.540 0.238 1.939 594 HD11 ILE 69 1HD1 ILE 69 8.826 -2.658 1.745 595 HD12 ILE 69 2HD1 ILE 69 7.680 -1.407 1.269 596 HD13 ILE 69 3HD1 ILE 69 7.267 -2.543 2.558 597 H VAL 70 H VAL 70 6.502 0.379 6.545 598 HA VAL 70 HA VAL 70 4.887 2.656 6.041 599 HB VAL 70 HB VAL 70 4.798 0.588 8.275 600 HG11 VAL 70 1HG1 VAL 70 2.760 2.757 7.670 601 HG12 VAL 70 2HG1 VAL 70 3.765 2.644 9.117 602 HG13 VAL 70 3HG1 VAL 70 2.529 1.425 8.804 603 HG21 VAL 70 1HG2 VAL 70 3.066 0.949 5.796 604 HG22 VAL 70 2HG2 VAL 70 2.855 -0.307 7.021 605 HG23 VAL 70 3HG2 VAL 70 4.308 -0.286 6.017 606 H GLU 71 H GLU 71 7.123 1.819 8.747 607 HA GLU 71 HA GLU 71 6.654 4.123 10.305 608 HB2 GLU 71 2HB GLU 71 8.635 3.611 11.556 609 HB3 GLU 71 3HB GLU 71 7.901 2.079 11.111 610 HG2 GLU 71 2HG GLU 71 9.563 1.823 9.282 611 HG3 GLU 71 3HG GLU 71 10.315 3.338 9.769 612 H TYR 72 H TYR 72 8.846 3.488 7.633 613 HA TYR 72 HA TYR 72 10.415 5.824 7.748 614 HB2 TYR 72 2HB TYR 72 11.046 3.785 6.478 615 HB3 TYR 72 3HB TYR 72 9.710 4.050 5.363 616 HD1 TYR 72 HD1 TYR 72 12.995 5.375 6.494 617 HD2 TYR 72 HD2 TYR 72 9.932 5.623 3.520 618 HE1 TYR 72 HE1 TYR 72 14.457 6.759 5.089 619 HE2 TYR 72 HE2 TYR 72 11.401 7.005 2.121 620 HH TYR 72 HH TYR 72 13.377 8.486 2.431 621 H ALA 73 H ALA 73 7.468 5.013 5.915 622 HA ALA 73 HA ALA 73 7.244 7.511 4.569 623 HB1 ALA 73 1HB ALA 73 5.024 6.706 3.887 624 HB2 ALA 73 2HB ALA 73 5.137 5.386 5.058 625 HB3 ALA 73 3HB ALA 73 6.250 5.452 3.690 626 H GLN 74 H GLN 74 6.136 6.360 7.716 627 HA GLN 74 HA GLN 74 4.463 8.650 8.277 628 HB2 GLN 74 2HB GLN 74 5.685 6.598 10.164 629 HB3 GLN 74 3HB GLN 74 4.508 7.821 10.635 630 HG2 GLN 74 2HG GLN 74 2.856 6.785 9.086 631 HG3 GLN 74 3HG GLN 74 4.035 5.530 8.706 632 HE21 GLN 74 1HE2 GLN 74 1.809 6.738 11.091 633 HE22 GLN 74 2HE2 GLN 74 1.884 5.370 12.147 634 H LYS 75 H LYS 75 7.864 7.811 8.720 635 HA LYS 75 HA LYS 75 8.639 10.052 10.312 636 HB2 LYS 75 2HB LYS 75 10.263 8.298 8.410 637 HB3 LYS 75 3HB LYS 75 10.979 9.581 9.381 638 HG2 LYS 75 2HG LYS 75 10.227 8.401 11.452 639 HG3 LYS 75 3HG LYS 75 9.586 7.101 10.450 640 HD2 LYS 75 2HD LYS 75 11.772 6.456 11.332 641 HD3 LYS 75 3HD LYS 75 11.866 6.649 9.580 642 HE2 LYS 75 2HE LYS 75 13.832 7.611 10.750 643 HE3 LYS 75 3HE LYS 75 12.937 8.834 9.846 644 HZ1 LYS 75 1HZ LYS 75 13.569 9.639 12.031 645 HZ2 LYS 75 2HZ LYS 75 12.762 8.361 12.778 646 HZ3 LYS 75 3HZ LYS 75 11.887 9.525 11.926 647 H GLU 76 H GLU 76 8.168 9.506 6.867 648 HA GLU 76 HA GLU 76 9.083 12.114 6.038 649 HB2 GLU 76 2HB GLU 76 7.359 10.097 4.528 650 HB3 GLU 76 3HB GLU 76 8.177 11.487 3.833 651 HG2 GLU 76 2HG GLU 76 9.402 8.944 4.894 652 HG3 GLU 76 3HG GLU 76 9.461 9.573 3.252 653 H GLY 77 H GLY 77 6.294 11.022 7.610 654 HA2 GLY 77 2HA GLY 77 4.461 12.175 8.373 655 HA3 GLY 77 3HA GLY 77 5.035 13.601 7.526 656 H LEU 78 H LEU 78 4.581 10.636 5.792 657 HA LEU 78 HA LEU 78 2.491 11.856 4.136 658 HB2 LEU 78 2HB LEU 78 4.031 9.261 3.686 659 HB3 LEU 78 3HB LEU 78 3.025 10.101 2.513 660 HG LEU 78 HG LEU 78 5.679 11.081 3.635 661 HD11 LEU 78 1HD1 LEU 78 6.525 10.827 1.351 662 HD12 LEU 78 2HD1 LEU 78 4.969 10.168 0.836 663 HD13 LEU 78 3HD1 LEU 78 5.959 9.291 2.007 664 HD21 LEU 78 1HD2 LEU 78 3.846 12.458 1.649 665 HD22 LEU 78 2HD2 LEU 78 5.483 12.975 2.063 666 HD23 LEU 78 3HD2 LEU 78 4.218 12.997 3.288 667 H ARG 79 H ARG 79 0.519 10.808 3.660 668 HA ARG 79 HA ARG 79 -0.655 9.215 5.741 669 HB2 ARG 79 2HB ARG 79 -1.973 10.894 4.476 670 HB3 ARG 79 3HB ARG 79 -1.739 9.973 2.993 671 HG2 ARG 79 2HG ARG 79 -2.997 8.064 4.042 672 HG3 ARG 79 3HG ARG 79 -3.296 9.082 5.449 673 HD2 ARG 79 2HD ARG 79 -4.206 9.742 2.629 674 HD3 ARG 79 3HD ARG 79 -5.216 8.967 3.855 675 HE ARG 79 HE ARG 79 -4.200 11.362 4.926 676 HH11 ARG 79 1HH1 ARG 79 -6.454 10.325 2.454 677 HH12 ARG 79 2HH1 ARG 79 -7.435 11.745 2.563 678 HH21 ARG 79 1HH2 ARG 79 -5.492 13.262 5.076 679 HH22 ARG 79 2HH2 ARG 79 -6.891 13.430 4.059 680 H VAL 80 H VAL 80 -0.260 7.083 5.929 681 HA VAL 80 HA VAL 80 0.507 5.472 3.584 682 HB VAL 80 HB VAL 80 0.726 4.623 6.505 683 HG11 VAL 80 1HG1 VAL 80 2.141 3.609 4.006 684 HG12 VAL 80 2HG1 VAL 80 0.842 2.784 4.870 685 HG13 VAL 80 3HG1 VAL 80 2.407 3.020 5.650 686 HG21 VAL 80 1HG2 VAL 80 2.868 6.002 4.846 687 HG22 VAL 80 2HG2 VAL 80 3.094 5.318 6.459 688 HG23 VAL 80 3HG2 VAL 80 2.017 6.698 6.228 689 H LEU 81 H LEU 81 -1.090 4.352 2.651 690 HA LEU 81 HA LEU 81 -3.410 3.332 4.212 691 HB2 LEU 81 2HB LEU 81 -3.085 3.637 1.178 692 HB3 LEU 81 3HB LEU 81 -4.521 3.075 1.998 693 HG LEU 81 HG LEU 81 -4.920 5.303 1.198 694 HD11 LEU 81 1HD1 LEU 81 -4.539 5.457 4.186 695 HD12 LEU 81 2HD1 LEU 81 -5.942 4.801 3.338 696 HD13 LEU 81 3HD1 LEU 81 -5.554 6.516 3.199 697 HD21 LEU 81 1HD2 LEU 81 -2.482 6.251 2.717 698 HD22 LEU 81 2HD2 LEU 81 -3.607 7.263 1.806 699 HD23 LEU 81 3HD2 LEU 81 -2.613 6.075 0.965 700 H VAL 82 H VAL 82 -2.980 1.165 4.834 701 HA VAL 82 HA VAL 82 -1.388 -0.500 2.954 702 HB VAL 82 HB VAL 82 -1.774 -1.026 5.930 703 HG11 VAL 82 1HG1 VAL 82 0.070 -2.664 5.661 704 HG12 VAL 82 2HG1 VAL 82 0.095 -2.340 3.926 705 HG13 VAL 82 3HG1 VAL 82 -1.326 -3.083 4.663 706 HG21 VAL 82 1HG2 VAL 82 0.627 0.189 4.516 707 HG22 VAL 82 2HG2 VAL 82 0.565 -0.256 6.223 708 HG23 VAL 82 3HG2 VAL 82 -0.470 1.037 5.611 709 H ILE 83 H ILE 83 -2.549 -1.842 1.789 710 HA ILE 83 HA ILE 83 -5.061 -3.039 2.828 711 HB ILE 83 HB ILE 83 -4.147 -2.753 -0.081 712 HG12 ILE 83 2HG1 ILE 83 -6.267 -1.165 1.430 713 HG13 ILE 83 3HG1 ILE 83 -4.682 -0.557 0.973 714 HG21 ILE 83 1HG2 ILE 83 -6.445 -3.460 -0.671 715 HG22 ILE 83 2HG2 ILE 83 -6.827 -3.676 1.037 716 HG23 ILE 83 3HG2 ILE 83 -5.621 -4.708 0.267 717 HD11 ILE 83 1HD1 ILE 83 -6.406 0.258 -0.500 718 HD12 ILE 83 2HD1 ILE 83 -6.862 -1.388 -0.933 719 HD13 ILE 83 3HD1 ILE 83 -5.270 -0.761 -1.376 720 H MET 84 H MET 84 -4.621 -5.014 3.618 721 HA MET 84 HA MET 84 -2.633 -6.767 2.298 722 HB2 MET 84 2HB MET 84 -3.718 -6.658 5.138 723 HB3 MET 84 3HB MET 84 -2.811 -8.041 4.541 724 HG2 MET 84 2HG MET 84 -0.824 -6.776 4.303 725 HG3 MET 84 3HG MET 84 -1.680 -5.242 4.430 726 HE1 MET 84 1HE MET 84 -2.250 -4.033 6.588 727 HE2 MET 84 2HE MET 84 -2.307 -4.791 8.176 728 HE3 MET 84 3HE MET 84 -3.467 -5.266 6.937 729 H VAL 85 H VAL 85 -3.488 -8.290 1.011 730 HA VAL 85 HA VAL 85 -6.261 -9.243 1.452 731 HB VAL 85 HB VAL 85 -4.928 -8.952 -1.282 732 HG11 VAL 85 1HG1 VAL 85 -7.817 -9.546 -0.529 733 HG12 VAL 85 2HG1 VAL 85 -6.649 -10.714 -1.153 734 HG13 VAL 85 3HG1 VAL 85 -7.191 -9.380 -2.173 735 HG21 VAL 85 1HG2 VAL 85 -6.385 -7.006 -1.703 736 HG22 VAL 85 2HG2 VAL 85 -5.289 -6.700 -0.351 737 HG23 VAL 85 3HG2 VAL 85 -6.982 -7.086 -0.042 738 H ASP 86 H ASP 86 -6.274 -11.340 1.942 739 HA ASP 86 HA ASP 86 -5.500 -13.331 0.180 740 HB2 ASP 86 2HB ASP 86 -3.156 -12.820 1.083 741 HB3 ASP 86 3HB ASP 86 -3.700 -13.389 2.655 742 H GLN 87 H GLN 87 -5.872 -15.515 1.103 743 HA GLN 87 HA GLN 87 -8.302 -15.666 2.572 744 HB2 GLN 87 2HB GLN 87 -6.373 -17.906 1.821 745 HB3 GLN 87 3HB GLN 87 -8.086 -18.083 2.198 746 HG2 GLN 87 2HG GLN 87 -8.741 -16.987 0.161 747 HG3 GLN 87 3HG GLN 87 -7.091 -16.449 -0.152 748 HE21 GLN 87 1HE2 GLN 87 -7.042 -17.389 -2.196 749 HE22 GLN 87 2HE2 GLN 87 -6.915 -19.097 -2.426 750 H ASP 88 H ASP 88 -4.912 -16.394 3.311 751 HA ASP 88 HA ASP 88 -5.405 -17.367 5.987 752 HB2 ASP 88 2HB ASP 88 -2.804 -16.631 4.561 753 HB3 ASP 88 3HB ASP 88 -2.879 -17.300 6.189 754 H GLN 89 H GLN 89 -6.464 -15.773 7.048 755 HA GLN 89 HA GLN 89 -5.715 -13.053 7.298 756 HB2 GLN 89 2HB GLN 89 -7.413 -14.834 9.103 757 HB3 GLN 89 3HB GLN 89 -7.324 -13.081 9.238 758 HG2 GLN 89 2HG GLN 89 -8.364 -14.590 6.822 759 HG3 GLN 89 3HG GLN 89 -9.367 -13.879 8.083 760 HE21 GLN 89 1HE2 GLN 89 -7.896 -11.425 8.381 761 HE22 GLN 89 2HE2 GLN 89 -8.166 -10.498 6.948 762 H GLU 90 H GLU 90 -4.359 -15.881 8.659 763 HA GLU 90 HA GLU 90 -3.781 -15.314 11.288 764 HB2 GLU 90 2HB GLU 90 -1.905 -16.781 9.384 765 HB3 GLU 90 3HB GLU 90 -1.999 -16.976 11.132 766 HG2 GLU 90 2HG GLU 90 -4.070 -17.795 9.083 767 HG3 GLU 90 3HG GLU 90 -3.071 -18.858 10.069 768 H GLU 91 H GLU 91 -1.525 -14.756 8.580 769 HA GLU 91 HA GLU 91 0.327 -13.260 10.228 770 HB2 GLU 91 2HB GLU 91 1.641 -13.100 8.067 771 HB3 GLU 91 3HB GLU 91 1.300 -14.736 8.622 772 HG2 GLU 91 2HG GLU 91 -0.553 -14.894 6.968 773 HG3 GLU 91 3HG GLU 91 -0.156 -13.276 6.393 774 H LEU 92 H LEU 92 -2.116 -12.540 7.797 775 HA LEU 92 HA LEU 92 -1.475 -9.853 7.222 776 HB2 LEU 92 2HB LEU 92 -4.001 -11.495 7.020 777 HB3 LEU 92 3HB LEU 92 -4.105 -9.761 6.786 778 HG LEU 92 HG LEU 92 -2.575 -9.889 4.862 779 HD11 LEU 92 1HD1 LEU 92 -1.874 -12.005 3.872 780 HD12 LEU 92 2HD1 LEU 92 -2.559 -12.890 5.236 781 HD13 LEU 92 3HD1 LEU 92 -1.191 -11.807 5.486 782 HD21 LEU 92 1HD2 LEU 92 -4.119 -11.019 3.318 783 HD22 LEU 92 2HD2 LEU 92 -4.981 -10.043 4.505 784 HD23 LEU 92 3HD2 LEU 92 -4.920 -11.799 4.685 785 H GLU 93 H GLU 93 -3.479 -11.284 9.759 786 HA GLU 93 HA GLU 93 -4.545 -8.794 10.734 787 HB2 GLU 93 2HB GLU 93 -5.762 -10.965 10.773 788 HB3 GLU 93 3HB GLU 93 -4.627 -11.591 11.957 789 HG2 GLU 93 2HG GLU 93 -6.156 -9.087 12.618 790 HG3 GLU 93 3HG GLU 93 -7.028 -10.608 12.631 791 H ARG 94 H ARG 94 -1.916 -10.971 11.607 792 HA ARG 94 HA ARG 94 -1.085 -9.888 14.048 793 HB2 ARG 94 2HB ARG 94 -0.171 -11.983 13.101 794 HB3 ARG 94 3HB ARG 94 0.583 -11.082 11.793 795 HG2 ARG 94 2HG ARG 94 2.256 -11.721 13.464 796 HG3 ARG 94 3HG ARG 94 2.086 -9.964 13.411 797 HD2 ARG 94 2HD ARG 94 0.632 -10.069 15.438 798 HD3 ARG 94 3HD ARG 94 0.862 -11.819 15.493 799 HE ARG 94 HE ARG 94 3.366 -10.454 15.522 800 HH11 ARG 94 1HH1 ARG 94 0.640 -11.196 17.634 801 HH12 ARG 94 2HH1 ARG 94 1.589 -11.112 19.085 802 HH21 ARG 94 1HH2 ARG 94 4.605 -10.382 17.425 803 HH22 ARG 94 2HH2 ARG 94 3.848 -10.650 18.965 804 H ILE 95 H ILE 95 -0.277 -8.930 10.721 805 HA ILE 95 HA ILE 95 1.444 -6.736 11.398 806 HB ILE 95 HB ILE 95 -0.011 -7.319 8.773 807 HG12 ILE 95 2HG1 ILE 95 2.820 -8.087 9.620 808 HG13 ILE 95 3HG1 ILE 95 1.465 -9.200 9.491 809 HG21 ILE 95 1HG2 ILE 95 2.401 -5.552 9.302 810 HG22 ILE 95 2HG2 ILE 95 0.780 -4.995 8.886 811 HG23 ILE 95 3HG2 ILE 95 1.725 -5.911 7.712 812 HD11 ILE 95 1HD1 ILE 95 2.732 -7.676 7.217 813 HD12 ILE 95 2HD1 ILE 95 1.354 -8.774 7.081 814 HD13 ILE 95 3HD1 ILE 95 2.928 -9.390 7.582 815 H TYR 96 H TYR 96 -1.940 -7.030 10.396 816 HA TYR 96 HA TYR 96 -2.729 -4.395 10.079 817 HB2 TYR 96 2HB TYR 96 -4.110 -6.257 9.390 818 HB3 TYR 96 3HB TYR 96 -4.210 -6.880 11.025 819 HD1 TYR 96 HD1 TYR 96 -5.272 -3.949 8.925 820 HD2 TYR 96 HD2 TYR 96 -6.118 -6.386 12.332 821 HE1 TYR 96 HE1 TYR 96 -7.448 -2.839 9.194 822 HE2 TYR 96 HE2 TYR 96 -8.288 -5.269 12.597 823 HH TYR 96 HH TYR 96 -9.399 -3.222 11.978 824 H GLU 97 H GLU 97 -2.642 -6.326 13.034 825 HA GLU 97 HA GLU 97 -4.047 -4.439 14.653 826 HB2 GLU 97 2HB GLU 97 -3.448 -7.152 14.816 827 HB3 GLU 97 3HB GLU 97 -2.413 -6.494 16.068 828 HG2 GLU 97 2HG GLU 97 -5.374 -5.882 15.939 829 HG3 GLU 97 3HG GLU 97 -4.750 -7.328 16.717 830 H GLN 98 H GLN 98 -0.582 -5.173 14.134 831 HA GLN 98 HA GLN 98 0.280 -3.425 16.243 832 HB2 GLN 98 2HB GLN 98 2.588 -3.792 15.424 833 HB3 GLN 98 3HB GLN 98 1.715 -5.272 15.740 834 HG2 GLN 98 2HG GLN 98 2.905 -5.803 13.842 835 HG3 GLN 98 3HG GLN 98 1.343 -5.358 13.176 836 HE21 GLN 98 1HE2 GLN 98 3.575 -2.877 14.247 837 HE22 GLN 98 2HE2 GLN 98 4.053 -2.363 12.676 838 H LEU 99 H LEU 99 0.022 -3.091 12.707 839 HA LEU 99 HA LEU 99 1.020 -0.476 12.428 840 HB2 LEU 99 2HB LEU 99 -1.112 -1.926 10.826 841 HB3 LEU 99 3HB LEU 99 -0.435 -0.376 10.353 842 HG LEU 99 HG LEU 99 1.109 -2.992 10.538 843 HD11 LEU 99 1HD1 LEU 99 -0.492 -2.948 8.677 844 HD12 LEU 99 2HD1 LEU 99 1.165 -2.882 8.087 845 HD13 LEU 99 3HD1 LEU 99 0.181 -1.416 8.113 846 HD21 LEU 99 1HD2 LEU 99 2.016 -0.247 9.609 847 HD22 LEU 99 2HD2 LEU 99 2.950 -1.740 9.473 848 HD23 LEU 99 3HD2 LEU 99 2.555 -1.093 11.063 849 H LYS 100 H LYS 100 -2.189 -1.650 13.315 850 HA LYS 100 HA LYS 100 -3.651 0.740 13.059 851 HB2 LYS 100 2HB LYS 100 -4.373 -1.810 13.528 852 HB3 LYS 100 3HB LYS 100 -4.393 -1.278 15.197 853 HG2 LYS 100 2HG LYS 100 -5.984 0.064 12.988 854 HG3 LYS 100 3HG LYS 100 -6.621 -1.240 13.985 855 HD2 LYS 100 2HD LYS 100 -6.483 0.127 15.983 856 HD3 LYS 100 3HD LYS 100 -5.614 1.399 15.118 857 HE2 LYS 100 2HE LYS 100 -7.968 2.016 15.458 858 HE3 LYS 100 3HE LYS 100 -7.613 1.840 13.743 859 HZ1 LYS 100 1HZ LYS 100 -9.000 -0.152 15.457 860 HZ2 LYS 100 2HZ LYS 100 -8.631 -0.370 13.825 861 HZ3 LYS 100 3HZ LYS 100 -9.718 0.835 14.291 862 H LYS 101 H LYS 101 -1.680 -0.541 15.712 863 HA LYS 101 HA LYS 101 -2.272 1.437 17.668 864 HB2 LYS 101 2HB LYS 101 0.224 -0.291 17.370 865 HB3 LYS 101 3HB LYS 101 -0.207 0.636 18.811 866 HG2 LYS 101 2HG LYS 101 -2.309 -0.735 18.992 867 HG3 LYS 101 3HG LYS 101 -1.728 -1.719 17.644 868 HD2 LYS 101 2HD LYS 101 0.284 -2.319 18.999 869 HD3 LYS 101 3HD LYS 101 -0.375 -1.391 20.351 870 HE2 LYS 101 2HE LYS 101 -0.853 -3.749 20.689 871 HE3 LYS 101 3HE LYS 101 -2.365 -2.904 20.359 872 HZ1 LYS 101 1HZ LYS 101 -0.805 -4.489 18.382 873 HZ2 LYS 101 2HZ LYS 101 -2.265 -3.690 18.074 874 HZ3 LYS 101 3HZ LYS 101 -2.221 -4.989 19.154 875 H ASP 102 H ASP 102 0.172 1.240 15.113 876 HA ASP 102 HA ASP 102 1.637 3.601 15.757 877 HB2 ASP 102 2HB ASP 102 1.350 2.004 13.182 878 HB3 ASP 102 3HB ASP 102 2.402 3.410 13.294 879 H GLY 103 H GLY 103 -1.522 3.292 14.561 880 HA2 GLY 103 2HA GLY 103 -3.058 4.988 14.145 881 HA3 GLY 103 3HA GLY 103 -1.747 6.156 14.091 882 H VAL 104 H VAL 104 -1.396 3.314 12.198 883 HA VAL 104 HA VAL 104 -1.387 4.819 9.722 884 HB VAL 104 HB VAL 104 -1.085 1.797 10.053 885 HG11 VAL 104 1HG1 VAL 104 -0.048 3.682 7.902 886 HG12 VAL 104 2HG1 VAL 104 -1.394 2.553 7.729 887 HG13 VAL 104 3HG1 VAL 104 0.244 1.940 7.973 888 HG21 VAL 104 1HG2 VAL 104 0.476 2.929 11.581 889 HG22 VAL 104 2HG2 VAL 104 1.124 3.864 10.231 890 HG23 VAL 104 3HG2 VAL 104 1.327 2.111 10.268 891 H ASP 105 H ASP 105 -2.987 4.731 8.121 892 HA ASP 105 HA ASP 105 -5.553 3.588 8.783 893 HB2 ASP 105 2HB ASP 105 -5.281 5.728 7.455 894 HB3 ASP 105 3HB ASP 105 -4.645 4.773 6.121 895 H VAL 106 H VAL 106 -5.669 1.440 8.745 896 HA VAL 106 HA VAL 106 -4.506 -0.093 6.497 897 HB VAL 106 HB VAL 106 -3.847 -1.881 8.105 898 HG11 VAL 106 1HG1 VAL 106 -2.214 -0.161 7.377 899 HG12 VAL 106 2HG1 VAL 106 -1.855 -0.815 8.965 900 HG13 VAL 106 3HG1 VAL 106 -2.582 0.784 8.820 901 HG21 VAL 106 1HG2 VAL 106 -5.414 -1.405 9.957 902 HG22 VAL 106 2HG2 VAL 106 -4.574 0.107 10.305 903 HG23 VAL 106 3HG2 VAL 106 -3.750 -1.439 10.546 904 H ARG 107 H ARG 107 -5.565 -1.925 5.884 905 HA ARG 107 HA ARG 107 -7.773 -2.975 7.418 906 HB2 ARG 107 2HB ARG 107 -9.446 -2.835 5.709 907 HB3 ARG 107 3HB ARG 107 -8.835 -1.212 5.981 908 HG2 ARG 107 2HG ARG 107 -7.629 -1.228 3.878 909 HG3 ARG 107 3HG ARG 107 -7.948 -2.953 3.647 910 HD2 ARG 107 2HD ARG 107 -9.954 -0.673 3.572 911 HD3 ARG 107 3HD ARG 107 -9.493 -1.743 2.238 912 HE ARG 107 HE ARG 107 -10.454 -3.508 4.018 913 HH11 ARG 107 1HH1 ARG 107 -11.844 -0.506 2.866 914 HH12 ARG 107 2HH1 ARG 107 -13.477 -1.031 3.122 915 HH21 ARG 107 1HH2 ARG 107 -12.597 -4.151 4.407 916 HH22 ARG 107 2HH2 ARG 107 -13.900 -3.079 3.991 917 H VAL 108 H VAL 108 -8.220 -5.095 6.947 918 HA VAL 108 HA VAL 108 -6.586 -6.442 4.880 919 HB VAL 108 HB VAL 108 -6.967 -8.564 6.204 920 HG11 VAL 108 1HG1 VAL 108 -5.476 -6.371 7.688 921 HG12 VAL 108 2HG1 VAL 108 -4.838 -7.372 6.382 922 HG13 VAL 108 3HG1 VAL 108 -5.260 -8.109 7.925 923 HG21 VAL 108 1HG2 VAL 108 -8.956 -7.871 7.502 924 HG22 VAL 108 2HG2 VAL 108 -7.983 -6.697 8.390 925 HG23 VAL 108 3HG2 VAL 108 -7.666 -8.426 8.572 926 H THR 109 H THR 109 -7.697 -7.907 3.495 927 HA THR 109 HA THR 109 -10.522 -8.421 3.988 928 HB THR 109 HB THR 109 -10.414 -6.358 2.446 929 HG1 THR 109 HG1 THR 109 -11.676 -8.611 1.239 930 HG21 THR 109 1HG2 THR 109 -9.482 -8.403 0.395 931 HG22 THR 109 2HG2 THR 109 -8.522 -7.043 1.003 932 HG23 THR 109 3HG2 THR 109 -9.978 -6.739 0.053 933 H ASP 110 H ASP 110 -11.344 -10.099 2.729 934 HA ASP 110 HA ASP 110 -9.449 -11.830 1.284 935 HB2 ASP 110 2HB ASP 110 -10.138 -13.031 3.258 936 HB3 ASP 110 3HB ASP 110 -11.816 -12.542 3.064 937 H ASN 111 H ASN 111 -10.216 -12.676 -0.574 938 HA ASN 111 HA ASN 111 -11.646 -13.324 -2.252 939 HB2 ASN 111 2HB ASN 111 -13.544 -11.106 -1.370 940 HB3 ASN 111 3HB ASN 111 -13.748 -12.000 -2.868 941 HD21 ASN 111 1HD2 ASN 111 -14.063 -12.088 0.574 942 HD22 ASN 111 2HD2 ASN 111 -14.871 -13.614 0.670 943 H GLU 112 H GLU 112 -11.421 -12.849 -4.298 944 HA GLU 112 HA GLU 112 -9.472 -11.074 -5.187 945 HB2 GLU 112 2HB GLU 112 -10.061 -13.197 -6.272 946 HB3 GLU 112 3HB GLU 112 -11.654 -12.581 -6.687 947 HG2 GLU 112 2HG GLU 112 -10.600 -10.939 -8.219 948 HG3 GLU 112 3HG GLU 112 -9.012 -11.588 -7.805 949 H ASP 113 H ASP 113 -13.006 -10.898 -5.426 950 HA ASP 113 HA ASP 113 -13.173 -8.507 -6.932 951 HB2 ASP 113 2HB ASP 113 -15.204 -9.827 -5.079 952 HB3 ASP 113 3HB ASP 113 -15.570 -8.467 -6.136 953 H GLU 114 H GLU 114 -13.563 -9.126 -3.410 954 HA GLU 114 HA GLU 114 -14.222 -6.533 -2.624 955 HB2 GLU 114 2HB GLU 114 -12.753 -8.621 -0.957 956 HB3 GLU 114 3HB GLU 114 -13.597 -7.209 -0.327 957 HG2 GLU 114 2HG GLU 114 -14.828 -9.582 -1.742 958 HG3 GLU 114 3HG GLU 114 -14.959 -9.189 -0.033 959 H ALA 115 H ALA 115 -11.061 -8.061 -2.969 960 HA ALA 115 HA ALA 115 -9.302 -6.214 -1.933 961 HB1 ALA 115 1HB ALA 115 -8.654 -8.409 -2.865 962 HB2 ALA 115 2HB ALA 115 -7.659 -7.115 -3.538 963 HB3 ALA 115 3HB ALA 115 -8.967 -7.821 -4.496 964 H LYS 116 H LYS 116 -10.711 -6.285 -5.180 965 HA LYS 116 HA LYS 116 -9.229 -4.099 -6.233 966 HB2 LYS 116 2HB LYS 116 -11.771 -5.395 -7.303 967 HB3 LYS 116 3HB LYS 116 -10.671 -4.358 -8.214 968 HG2 LYS 116 2HG LYS 116 -8.847 -6.033 -7.889 969 HG3 LYS 116 3HG LYS 116 -9.987 -7.071 -7.030 970 HD2 LYS 116 2HD LYS 116 -9.750 -7.865 -9.317 971 HD3 LYS 116 3HD LYS 116 -11.377 -7.218 -9.097 972 HE2 LYS 116 2HE LYS 116 -10.739 -5.153 -10.252 973 HE3 LYS 116 3HE LYS 116 -9.071 -5.716 -10.385 974 HZ1 LYS 116 1HZ LYS 116 -11.441 -6.957 -11.678 975 HZ2 LYS 116 2HZ LYS 116 -9.867 -7.561 -11.749 976 HZ3 LYS 116 3HZ LYS 116 -10.221 -6.064 -12.440 977 H LYS 117 H LYS 117 -12.465 -4.382 -4.821 978 HA LYS 117 HA LYS 117 -13.339 -1.757 -5.566 979 HB2 LYS 117 2HB LYS 117 -14.405 -3.817 -3.609 980 HB3 LYS 117 3HB LYS 117 -15.088 -2.197 -3.651 981 HG2 LYS 117 2HG LYS 117 -16.480 -3.661 -4.968 982 HG3 LYS 117 3HG LYS 117 -15.673 -2.523 -6.049 983 HD2 LYS 117 2HD LYS 117 -14.086 -4.246 -6.743 984 HD3 LYS 117 3HD LYS 117 -14.752 -5.379 -5.564 985 HE2 LYS 117 2HE LYS 117 -16.234 -4.239 -7.954 986 HE3 LYS 117 3HE LYS 117 -15.549 -5.859 -7.847 987 HZ1 LYS 117 1HZ LYS 117 -17.727 -4.787 -6.128 988 HZ2 LYS 117 2HZ LYS 117 -17.078 -6.343 -6.035 989 HZ3 LYS 117 3HZ LYS 117 -17.921 -5.863 -7.417 990 H ARG 118 H ARG 118 -11.901 -3.156 -2.615 991 HA ARG 118 HA ARG 118 -12.023 -0.692 -1.116 992 HB2 ARG 118 2HB ARG 118 -10.374 -3.148 -0.407 993 HB3 ARG 118 3HB ARG 118 -10.923 -1.877 0.679 994 HG2 ARG 118 2HG ARG 118 -12.618 -3.970 -0.687 995 HG3 ARG 118 3HG ARG 118 -12.267 -3.852 1.028 996 HD2 ARG 118 2HD ARG 118 -14.034 -2.451 1.370 997 HD3 ARG 118 3HD ARG 118 -13.568 -1.405 0.034 998 HE ARG 118 HE ARG 118 -15.156 -2.394 -1.244 999 HH11 ARG 118 1HH1 ARG 118 -14.542 -4.629 1.419 1000 HH12 ARG 118 2HH1 ARG 118 -15.820 -5.708 0.946 1001 HH21 ARG 118 1HH2 ARG 118 -16.809 -3.832 -1.833 1002 HH22 ARG 118 2HH2 ARG 118 -17.086 -5.259 -0.876 1003 H LEU 119 H LEU 119 -9.818 -2.041 -3.370 1004 HA LEU 119 HA LEU 119 -7.497 -0.521 -2.794 1005 HB2 LEU 119 2HB LEU 119 -7.890 -2.548 -4.433 1006 HB3 LEU 119 3HB LEU 119 -8.375 -1.335 -5.590 1007 HG LEU 119 HG LEU 119 -6.055 -2.083 -5.956 1008 HD11 LEU 119 1HD1 LEU 119 -6.096 0.795 -5.038 1009 HD12 LEU 119 2HD1 LEU 119 -6.596 0.201 -6.621 1010 HD13 LEU 119 3HD1 LEU 119 -4.917 0.047 -6.120 1011 HD21 LEU 119 1HD2 LEU 119 -5.407 -0.951 -3.225 1012 HD22 LEU 119 2HD2 LEU 119 -4.268 -1.659 -4.374 1013 HD23 LEU 119 3HD2 LEU 119 -5.508 -2.665 -3.630 1014 H LYS 120 H LYS 120 -10.090 0.010 -5.229 1015 HA LYS 120 HA LYS 120 -9.415 2.625 -6.015 1016 HB2 LYS 120 2HB LYS 120 -10.880 1.215 -7.366 1017 HB3 LYS 120 3HB LYS 120 -12.092 1.167 -6.091 1018 HG2 LYS 120 2HG LYS 120 -12.467 3.621 -6.398 1019 HG3 LYS 120 3HG LYS 120 -11.293 3.617 -7.714 1020 HD2 LYS 120 2HD LYS 120 -13.821 1.930 -7.707 1021 HD3 LYS 120 3HD LYS 120 -13.727 3.534 -8.431 1022 HE2 LYS 120 2HE LYS 120 -12.017 1.160 -9.249 1023 HE3 LYS 120 3HE LYS 120 -13.464 1.705 -10.098 1024 HZ1 LYS 120 1HZ LYS 120 -12.334 3.867 -10.432 1025 HZ2 LYS 120 2HZ LYS 120 -11.557 2.579 -11.196 1026 HZ3 LYS 120 3HZ LYS 120 -10.928 3.210 -9.764 1027 H GLU 121 H GLU 121 -11.300 1.455 -3.343 1028 HA GLU 121 HA GLU 121 -12.688 3.685 -2.422 1029 HB2 GLU 121 2HB GLU 121 -12.977 1.394 -1.611 1030 HB3 GLU 121 3HB GLU 121 -11.356 1.399 -0.929 1031 HG2 GLU 121 2HG GLU 121 -12.175 3.328 0.560 1032 HG3 GLU 121 3HG GLU 121 -13.803 2.889 0.036 1033 H LEU 122 H LEU 122 -9.332 2.657 -1.709 1034 HA LEU 122 HA LEU 122 -8.861 4.982 -0.019 1035 HB2 LEU 122 2HB LEU 122 -6.934 2.782 -0.856 1036 HB3 LEU 122 3HB LEU 122 -6.595 4.044 0.319 1037 HG LEU 122 HG LEU 122 -8.542 1.718 0.612 1038 HD11 LEU 122 1HD1 LEU 122 -7.241 1.127 2.565 1039 HD12 LEU 122 2HD1 LEU 122 -6.245 2.575 2.400 1040 HD13 LEU 122 3HD1 LEU 122 -6.158 1.302 1.185 1041 HD21 LEU 122 1HD2 LEU 122 -8.311 4.128 2.434 1042 HD22 LEU 122 2HD2 LEU 122 -9.220 2.654 2.786 1043 HD23 LEU 122 3HD2 LEU 122 -9.705 3.686 1.444 1044 H LEU 123 H LEU 123 -8.433 4.119 -3.357 1045 HA LEU 123 HA LEU 123 -6.704 6.246 -4.091 1046 HB2 LEU 123 2HB LEU 123 -8.593 4.455 -5.555 1047 HB3 LEU 123 3HB LEU 123 -8.286 5.995 -6.331 1048 HG LEU 123 HG LEU 123 -6.807 4.219 -7.199 1049 HD11 LEU 123 1HD1 LEU 123 -6.007 6.540 -7.264 1050 HD12 LEU 123 2HD1 LEU 123 -4.676 5.408 -7.058 1051 HD13 LEU 123 3HD1 LEU 123 -5.253 6.343 -5.677 1052 HD21 LEU 123 1HD2 LEU 123 -5.047 3.203 -5.840 1053 HD22 LEU 123 2HD2 LEU 123 -6.632 2.831 -5.164 1054 HD23 LEU 123 3HD2 LEU 123 -5.618 4.062 -4.405 1055 H GLU 124 H GLU 124 -10.099 6.191 -3.169 1056 HA GLU 124 HA GLU 124 -10.761 8.833 -4.050 1057 HB2 GLU 124 2HB GLU 124 -11.923 7.299 -1.675 1058 HB3 GLU 124 3HB GLU 124 -12.642 8.703 -2.461 1059 HG2 GLU 124 2HG GLU 124 -12.944 7.406 -4.536 1060 HG3 GLU 124 3HG GLU 124 -12.214 5.994 -3.768 1061 H LYS 125 H LYS 125 -9.293 7.517 -1.105 1062 HA LYS 125 HA LYS 125 -9.088 10.033 0.292 1063 HB2 LYS 125 2HB LYS 125 -7.841 7.294 0.767 1064 HB3 LYS 125 3HB LYS 125 -7.403 8.684 1.755 1065 HG2 LYS 125 2HG LYS 125 -9.070 7.424 2.940 1066 HG3 LYS 125 3HG LYS 125 -9.805 8.937 2.400 1067 HD2 LYS 125 2HD LYS 125 -10.748 7.611 0.417 1068 HD3 LYS 125 3HD LYS 125 -10.211 6.150 1.251 1069 HE2 LYS 125 2HE LYS 125 -12.193 8.193 2.303 1070 HE3 LYS 125 3HE LYS 125 -12.583 6.588 1.688 1071 HZ1 LYS 125 1HZ LYS 125 -11.217 5.673 3.511 1072 HZ2 LYS 125 2HZ LYS 125 -12.560 6.535 4.053 1073 HZ3 LYS 125 3HZ LYS 125 -11.026 7.228 4.125 1074 H VAL 126 H VAL 126 -7.182 8.438 -2.134 1075 HA VAL 126 HA VAL 126 -4.981 10.296 -2.040 1076 HB VAL 126 HB VAL 126 -6.027 8.471 -4.252 1077 HG11 VAL 126 1HG1 VAL 126 -3.481 10.119 -4.279 1078 HG12 VAL 126 2HG1 VAL 126 -4.883 10.341 -5.327 1079 HG13 VAL 126 3HG1 VAL 126 -3.906 8.878 -5.461 1080 HG21 VAL 126 1HG2 VAL 126 -3.598 8.193 -2.441 1081 HG22 VAL 126 2HG2 VAL 126 -4.050 7.070 -3.726 1082 HG23 VAL 126 3HG2 VAL 126 -5.096 7.268 -2.318 1083 H LEU 127 H LEU 127 -8.068 10.108 -3.862 1084 HA LEU 127 HA LEU 127 -7.474 12.323 -5.578 1085 HB2 LEU 127 2HB LEU 127 -10.033 10.730 -5.218 1086 HB3 LEU 127 3HB LEU 127 -9.841 12.003 -6.412 1087 HG LEU 127 HG LEU 127 -8.345 9.352 -6.344 1088 HD11 LEU 127 1HD1 LEU 127 -9.480 8.886 -8.469 1089 HD12 LEU 127 2HD1 LEU 127 -10.354 10.416 -8.348 1090 HD13 LEU 127 3HD1 LEU 127 -10.633 9.143 -7.159 1091 HD21 LEU 127 1HD2 LEU 127 -6.803 11.076 -7.099 1092 HD22 LEU 127 2HD2 LEU 127 -7.974 11.637 -8.295 1093 HD23 LEU 127 3HD2 LEU 127 -7.262 10.027 -8.440 1094 H GLU 128 H GLU 128 -8.848 12.161 -2.440 1095 HA GLU 128 HA GLU 128 -10.458 14.539 -2.520 1096 HB2 GLU 128 2HB GLU 128 -10.415 14.408 -0.046 1097 HB3 GLU 128 3HB GLU 128 -10.780 12.845 -0.760 1098 HG2 GLU 128 2HG GLU 128 -8.559 12.043 -0.326 1099 HG3 GLU 128 3HG GLU 128 -8.014 13.644 0.167 1100 H HIS 129 H HIS 129 -7.042 13.970 -2.239 1101 HA HIS 129 HA HIS 129 -6.543 16.893 -2.096 1102 HB2 HIS 129 2HB HIS 129 -4.951 14.660 -0.754 1103 HB3 HIS 129 3HB HIS 129 -4.289 16.274 -1.010 1104 HD1 HIS 129 HD1 HIS 129 -5.498 18.252 0.280 1105 HD2 HIS 129 HD2 HIS 129 -6.656 14.435 1.444 1106 HE1 HIS 129 HE1 HIS 129 -6.769 18.554 2.415 1107 HE2 HIS 129 HE2 HIS 129 -7.285 16.224 3.191 1108 H HIS 130 H HIS 130 -7.079 15.303 -4.366 1109 HA HIS 130 HA HIS 130 -4.579 15.719 -5.901 1110 HB2 HIS 130 2HB HIS 130 -5.640 13.187 -5.457 1111 HB3 HIS 130 3HB HIS 130 -6.466 13.617 -6.941 1112 HD1 HIS 130 HD1 HIS 130 -5.213 12.970 -9.010 1113 HD2 HIS 130 HD2 HIS 130 -2.708 13.430 -5.730 1114 HE1 HIS 130 HE1 HIS 130 -2.934 12.270 -9.785 1115 HE2 HIS 130 HE2 HIS 130 -1.420 12.793 -7.868 1116 H HIS 131 H HIS 131 -5.019 16.443 -8.121 1117 HA HIS 131 HA HIS 131 -7.230 18.317 -8.129 1118 HB2 HIS 131 2HB HIS 131 -5.132 17.846 -10.288 1119 HB3 HIS 131 3HB HIS 131 -6.212 19.233 -10.170 1120 HD1 HIS 131 HD1 HIS 131 -2.968 17.953 -9.029 1121 HD2 HIS 131 HD2 HIS 131 -5.567 21.019 -7.981 1122 HE1 HIS 131 HE1 HIS 131 -1.647 19.481 -7.544 1123 HE2 HIS 131 HE2 HIS 131 -3.277 21.242 -6.810 1124 H HIS 132 H HIS 132 -9.192 17.416 -8.562 1125 HA HIS 132 HA HIS 132 -9.858 15.460 -10.462 1126 HB2 HIS 132 2HB HIS 132 -11.447 16.197 -8.715 1127 HB3 HIS 132 3HB HIS 132 -11.520 17.805 -9.423 1128 HD1 HIS 132 HD1 HIS 132 -12.786 14.301 -9.888 1129 HD2 HIS 132 HD2 HIS 132 -13.236 18.036 -11.661 1130 HE1 HIS 132 HE1 HIS 132 -14.726 14.085 -11.465 1131 HE2 HIS 132 HE2 HIS 132 -14.923 16.323 -12.584 1132 H HIS 133 H HIS 133 -8.839 15.743 -12.358 1133 HA HIS 133 HA HIS 133 -8.510 18.147 -13.815 1134 HB2 HIS 133 2HB HIS 133 -6.975 16.216 -13.995 1135 HB3 HIS 133 3HB HIS 133 -8.257 15.234 -14.689 1136 HD1 HIS 133 HD1 HIS 133 -8.313 15.162 -17.173 1137 HD2 HIS 133 HD2 HIS 133 -6.263 18.495 -15.770 1138 HE1 HIS 133 HE1 HIS 133 -7.372 16.285 -19.205 1139 HE2 HIS 133 HE2 HIS 133 -6.298 18.389 -18.349 1140 H HIS 134 H HIS 134 -10.021 19.184 -14.938 1141 HA HIS 134 HA HIS 134 -12.417 17.897 -15.987 1142 HB2 HIS 134 2HB HIS 134 -12.585 20.154 -14.905 1143 HB3 HIS 134 3HB HIS 134 -11.515 20.824 -16.132 1144 HD1 HIS 134 HD1 HIS 134 -15.058 20.012 -15.451 1145 HD2 HIS 134 HD2 HIS 134 -12.756 20.963 -18.781 1146 HE1 HIS 134 HE1 HIS 134 -16.687 20.666 -17.241 1147 HE2 HIS 134 HE2 HIS 134 -15.271 21.394 -19.176 Start of MODEL 9 1 H1 MET 1 1H MET 1 -0.350 16.777 -3.929 2 H2 MET 1 2H MET 1 -0.494 15.151 -4.360 3 H3 MET 1 3H MET 1 1.011 15.905 -4.404 4 HA MET 1 HA MET 1 1.068 16.159 -2.071 5 HB2 MET 1 2HB MET 1 -1.362 16.526 -1.724 6 HB3 MET 1 3HB MET 1 -1.690 14.847 -2.116 7 HG2 MET 1 2HG MET 1 -0.430 14.147 -0.099 8 HG3 MET 1 3HG MET 1 -0.156 15.847 0.299 9 HE1 MET 1 1HE MET 1 -1.212 15.411 2.749 10 HE2 MET 1 2HE MET 1 -1.483 13.718 2.328 11 HE3 MET 1 3HE MET 1 -2.799 14.683 2.994 12 H GLY 2 H GLY 2 2.447 14.682 -1.261 13 HA2 GLY 2 2HA GLY 2 2.806 12.035 -2.286 14 HA3 GLY 2 3HA GLY 2 3.577 12.733 -0.866 15 H THR 3 H THR 3 1.521 10.353 -1.823 16 HA THR 3 HA THR 3 0.401 9.938 0.876 17 HB THR 3 HB THR 3 -1.155 9.632 -1.746 18 HG1 THR 3 HG1 THR 3 -0.843 11.736 -0.045 19 HG21 THR 3 1HG2 THR 3 -1.850 7.942 -0.081 20 HG22 THR 3 2HG2 THR 3 -3.112 9.155 -0.316 21 HG23 THR 3 3HG2 THR 3 -2.087 9.217 1.119 22 H VAL 4 H VAL 4 1.083 7.963 1.549 23 HA VAL 4 HA VAL 4 2.284 6.101 -0.401 24 HB VAL 4 HB VAL 4 2.639 6.242 2.636 25 HG11 VAL 4 1HG1 VAL 4 4.513 4.660 2.310 26 HG12 VAL 4 2HG1 VAL 4 4.118 4.544 0.592 27 HG13 VAL 4 3HG1 VAL 4 2.977 3.951 1.802 28 HG21 VAL 4 1HG2 VAL 4 4.895 7.122 2.144 29 HG22 VAL 4 2HG2 VAL 4 3.638 8.187 1.511 30 HG23 VAL 4 3HG2 VAL 4 4.523 7.120 0.417 31 H VAL 5 H VAL 5 0.929 4.561 -1.033 32 HA VAL 5 HA VAL 5 -0.925 3.254 0.862 33 HB VAL 5 HB VAL 5 -0.891 3.183 -2.203 34 HG11 VAL 5 1HG1 VAL 5 -3.074 2.039 -2.041 35 HG12 VAL 5 2HG1 VAL 5 -2.926 2.002 -0.282 36 HG13 VAL 5 3HG1 VAL 5 -1.791 1.091 -1.281 37 HG21 VAL 5 1HG2 VAL 5 -2.937 4.563 -2.107 38 HG22 VAL 5 2HG2 VAL 5 -1.578 5.398 -1.350 39 HG23 VAL 5 3HG2 VAL 5 -2.817 4.640 -0.346 40 H ILE 6 H ILE 6 -0.110 1.403 1.709 41 HA ILE 6 HA ILE 6 1.964 -0.137 0.257 42 HB ILE 6 HB ILE 6 1.182 -0.187 3.214 43 HG12 ILE 6 2HG1 ILE 6 2.343 1.898 2.682 44 HG13 ILE 6 3HG1 ILE 6 3.438 0.860 3.590 45 HG21 ILE 6 1HG2 ILE 6 3.432 -1.683 1.815 46 HG22 ILE 6 2HG2 ILE 6 1.992 -2.395 2.549 47 HG23 ILE 6 3HG2 ILE 6 3.193 -1.596 3.564 48 HD11 ILE 6 1HD1 ILE 6 4.599 1.973 1.798 49 HD12 ILE 6 2HD1 ILE 6 3.471 1.327 0.611 50 HD13 ILE 6 3HD1 ILE 6 4.560 0.238 1.481 51 H VAL 7 H VAL 7 1.030 -1.685 -0.947 52 HA VAL 7 HA VAL 7 -1.248 -3.252 0.126 53 HB VAL 7 HB VAL 7 -0.311 -3.005 -2.778 54 HG11 VAL 7 1HG1 VAL 7 -2.427 -4.134 -3.348 55 HG12 VAL 7 2HG1 VAL 7 -2.804 -4.309 -1.633 56 HG13 VAL 7 3HG1 VAL 7 -1.414 -5.154 -2.320 57 HG21 VAL 7 1HG2 VAL 7 -2.321 -1.624 -3.159 58 HG22 VAL 7 2HG2 VAL 7 -1.240 -0.866 -1.985 59 HG23 VAL 7 3HG2 VAL 7 -2.703 -1.689 -1.437 60 H VAL 8 H VAL 8 -0.711 -5.200 0.871 61 HA VAL 8 HA VAL 8 1.728 -6.588 -0.098 62 HB VAL 8 HB VAL 8 0.425 -6.750 2.670 63 HG11 VAL 8 1HG1 VAL 8 1.435 -8.897 2.057 64 HG12 VAL 8 2HG1 VAL 8 2.381 -8.118 3.327 65 HG13 VAL 8 3HG1 VAL 8 2.956 -8.093 1.657 66 HG21 VAL 8 1HG2 VAL 8 2.463 -5.625 3.528 67 HG22 VAL 8 2HG2 VAL 8 1.590 -4.601 2.382 68 HG23 VAL 8 3HG2 VAL 8 3.057 -5.442 1.873 69 H SER 9 H SER 9 1.206 -8.320 -1.297 70 HA SER 9 HA SER 9 -0.849 -10.220 -0.406 71 HB2 SER 9 2HB SER 9 -1.966 -8.859 -2.181 72 HB3 SER 9 3HB SER 9 -0.641 -9.218 -3.282 73 HG SER 9 HG SER 9 -2.653 -10.937 -2.300 74 H ARG 10 H ARG 10 -0.506 -12.349 -1.622 75 HA ARG 10 HA ARG 10 2.404 -12.816 -2.018 76 HB2 ARG 10 2HB ARG 10 1.319 -13.946 -0.075 77 HB3 ARG 10 3HB ARG 10 0.223 -14.773 -1.175 78 HG2 ARG 10 2HG ARG 10 2.097 -16.013 -2.161 79 HG3 ARG 10 3HG ARG 10 3.247 -15.120 -1.164 80 HD2 ARG 10 2HD ARG 10 1.090 -17.010 -0.153 81 HD3 ARG 10 3HD ARG 10 2.820 -17.358 -0.216 82 HE ARG 10 HE ARG 10 3.063 -15.414 1.382 83 HH11 ARG 10 1HH1 ARG 10 0.114 -17.343 1.344 84 HH12 ARG 10 2HH1 ARG 10 -0.282 -16.981 2.994 85 HH21 ARG 10 1HH2 ARG 10 2.502 -14.925 3.504 86 HH22 ARG 10 2HH2 ARG 10 1.080 -15.607 4.219 87 H ASP 11 H ASP 11 -0.740 -13.073 -3.474 88 HA ASP 11 HA ASP 11 0.145 -14.738 -5.721 89 HB2 ASP 11 2HB ASP 11 -2.547 -13.440 -5.110 90 HB3 ASP 11 3HB ASP 11 -2.235 -14.503 -6.483 91 H GLU 12 H GLU 12 0.674 -13.957 -7.660 92 HA GLU 12 HA GLU 12 1.083 -11.195 -8.226 93 HB2 GLU 12 2HB GLU 12 0.924 -13.480 -10.253 94 HB3 GLU 12 3HB GLU 12 1.623 -11.891 -10.528 95 HG2 GLU 12 2HG GLU 12 3.480 -13.287 -10.235 96 HG3 GLU 12 3HG GLU 12 3.307 -12.473 -8.683 97 H ARG 13 H ARG 13 -1.474 -13.503 -8.957 98 HA ARG 13 HA ARG 13 -2.807 -12.066 -10.976 99 HB2 ARG 13 2HB ARG 13 -3.896 -14.220 -9.119 100 HB3 ARG 13 3HB ARG 13 -4.715 -13.635 -10.565 101 HG2 ARG 13 2HG ARG 13 -2.041 -15.070 -10.477 102 HG3 ARG 13 3HG ARG 13 -3.572 -15.752 -11.024 103 HD2 ARG 13 2HD ARG 13 -3.611 -14.248 -12.947 104 HD3 ARG 13 3HD ARG 13 -2.181 -13.392 -12.356 105 HE ARG 13 HE ARG 13 -2.090 -16.257 -13.103 106 HH11 ARG 13 1HH1 ARG 13 -0.776 -13.000 -13.465 107 HH12 ARG 13 2HH1 ARG 13 0.553 -13.524 -14.448 108 HH21 ARG 13 1HH2 ARG 13 -0.353 -16.911 -14.405 109 HH22 ARG 13 2HH2 ARG 13 0.790 -15.735 -14.977 110 H ILE 14 H ILE 14 -3.131 -11.914 -7.453 111 HA ILE 14 HA ILE 14 -5.446 -10.201 -7.486 112 HB ILE 14 HB ILE 14 -3.431 -10.579 -5.215 113 HG12 ILE 14 2HG1 ILE 14 -6.067 -12.056 -5.719 114 HG13 ILE 14 3HG1 ILE 14 -4.460 -12.751 -5.891 115 HG21 ILE 14 1HG2 ILE 14 -5.246 -9.758 -3.746 116 HG22 ILE 14 2HG2 ILE 14 -6.287 -9.516 -5.150 117 HG23 ILE 14 3HG2 ILE 14 -4.822 -8.545 -4.959 118 HD11 ILE 14 1HD1 ILE 14 -4.084 -12.472 -3.487 119 HD12 ILE 14 2HD1 ILE 14 -5.498 -13.467 -3.832 120 HD13 ILE 14 3HD1 ILE 14 -5.707 -11.795 -3.313 121 H LEU 15 H LEU 15 -1.912 -9.685 -7.077 122 HA LEU 15 HA LEU 15 -1.872 -6.935 -6.572 123 HB2 LEU 15 2HB LEU 15 0.197 -8.751 -7.850 124 HB3 LEU 15 3HB LEU 15 0.539 -7.064 -7.495 125 HG LEU 15 HG LEU 15 -0.179 -9.170 -5.407 126 HD11 LEU 15 1HD1 LEU 15 2.173 -9.048 -4.722 127 HD12 LEU 15 2HD1 LEU 15 2.520 -7.933 -6.047 128 HD13 LEU 15 3HD1 LEU 15 2.029 -9.592 -6.394 129 HD21 LEU 15 1HD2 LEU 15 -0.903 -6.927 -4.727 130 HD22 LEU 15 2HD2 LEU 15 0.708 -6.283 -5.048 131 HD23 LEU 15 3HD2 LEU 15 0.468 -7.460 -3.755 132 H GLU 16 H GLU 16 -1.868 -8.604 -9.704 133 HA GLU 16 HA GLU 16 -1.319 -6.271 -11.293 134 HB2 GLU 16 2HB GLU 16 -1.759 -7.719 -13.232 135 HB3 GLU 16 3HB GLU 16 -0.710 -8.526 -12.074 136 HG2 GLU 16 2HG GLU 16 -2.704 -9.774 -11.212 137 HG3 GLU 16 3HG GLU 16 -3.664 -9.041 -12.497 138 H GLU 17 H GLU 17 -4.256 -7.935 -10.237 139 HA GLU 17 HA GLU 17 -6.142 -6.469 -11.779 140 HB2 GLU 17 2HB GLU 17 -6.359 -7.948 -9.131 141 HB3 GLU 17 3HB GLU 17 -7.745 -7.172 -9.884 142 HG2 GLU 17 2HG GLU 17 -6.102 -9.383 -11.146 143 HG3 GLU 17 3HG GLU 17 -7.625 -9.614 -10.289 144 H LEU 18 H LEU 18 -4.686 -5.977 -8.589 145 HA LEU 18 HA LEU 18 -6.092 -3.626 -7.823 146 HB2 LEU 18 2HB LEU 18 -3.370 -4.678 -6.935 147 HB3 LEU 18 3HB LEU 18 -4.282 -3.424 -6.105 148 HG LEU 18 HG LEU 18 -5.198 -6.309 -6.434 149 HD11 LEU 18 1HD1 LEU 18 -4.107 -4.942 -3.961 150 HD12 LEU 18 2HD1 LEU 18 -3.275 -6.166 -4.923 151 HD13 LEU 18 3HD1 LEU 18 -4.748 -6.586 -4.050 152 HD21 LEU 18 1HD2 LEU 18 -6.421 -4.058 -4.824 153 HD22 LEU 18 2HD2 LEU 18 -6.971 -5.735 -4.867 154 HD23 LEU 18 3HD2 LEU 18 -7.070 -4.746 -6.317 155 H LEU 19 H LEU 19 -3.109 -4.226 -9.603 156 HA LEU 19 HA LEU 19 -2.047 -1.631 -9.758 157 HB2 LEU 19 2HB LEU 19 -0.759 -3.641 -10.385 158 HB3 LEU 19 3HB LEU 19 -1.850 -3.951 -11.725 159 HG LEU 19 HG LEU 19 -1.052 -1.891 -12.869 160 HD11 LEU 19 1HD1 LEU 19 0.864 -1.594 -10.543 161 HD12 LEU 19 2HD1 LEU 19 -0.497 -0.534 -10.923 162 HD13 LEU 19 3HD1 LEU 19 0.868 -0.638 -12.027 163 HD21 LEU 19 1HD2 LEU 19 1.202 -2.661 -13.460 164 HD22 LEU 19 2HD2 LEU 19 0.072 -4.011 -13.372 165 HD23 LEU 19 3HD2 LEU 19 1.219 -3.735 -12.058 166 H GLU 20 H GLU 20 -4.277 -3.405 -11.876 167 HA GLU 20 HA GLU 20 -4.693 -1.488 -13.854 168 HB2 GLU 20 2HB GLU 20 -6.586 -3.607 -12.773 169 HB3 GLU 20 3HB GLU 20 -6.887 -2.691 -14.242 170 HG2 GLU 20 2HG GLU 20 -4.460 -4.459 -13.845 171 HG3 GLU 20 3HG GLU 20 -5.966 -5.026 -14.550 172 H VAL 21 H VAL 21 -6.362 -1.933 -10.720 173 HA VAL 21 HA VAL 21 -8.477 -0.107 -11.058 174 HB VAL 21 HB VAL 21 -7.070 -0.911 -8.464 175 HG11 VAL 21 1HG1 VAL 21 -9.834 0.328 -8.815 176 HG12 VAL 21 2HG1 VAL 21 -8.430 1.103 -8.077 177 HG13 VAL 21 3HG1 VAL 21 -9.172 -0.295 -7.300 178 HG21 VAL 21 1HG2 VAL 21 -8.866 -2.580 -8.230 179 HG22 VAL 21 2HG2 VAL 21 -7.933 -2.844 -9.702 180 HG23 VAL 21 3HG2 VAL 21 -9.529 -2.099 -9.795 181 H VAL 22 H VAL 22 -5.173 0.401 -9.787 182 HA VAL 22 HA VAL 22 -5.453 3.149 -9.105 183 HB VAL 22 HB VAL 22 -2.845 1.815 -9.976 184 HG11 VAL 22 1HG1 VAL 22 -1.777 3.495 -8.490 185 HG12 VAL 22 2HG1 VAL 22 -3.360 4.199 -8.153 186 HG13 VAL 22 3HG1 VAL 22 -2.701 4.261 -9.789 187 HG21 VAL 22 1HG2 VAL 22 -3.891 0.428 -8.235 188 HG22 VAL 22 2HG2 VAL 22 -4.060 1.839 -7.188 189 HG23 VAL 22 3HG2 VAL 22 -2.453 1.237 -7.607 190 H LEU 23 H LEU 23 -4.396 1.470 -12.056 191 HA LEU 23 HA LEU 23 -3.698 3.762 -13.586 192 HB2 LEU 23 2HB LEU 23 -4.489 0.970 -14.497 193 HB3 LEU 23 3HB LEU 23 -3.776 2.192 -15.541 194 HG LEU 23 HG LEU 23 -2.406 0.920 -13.134 195 HD11 LEU 23 1HD1 LEU 23 -0.977 -0.230 -14.760 196 HD12 LEU 23 2HD1 LEU 23 -1.919 0.453 -16.091 197 HD13 LEU 23 3HD1 LEU 23 -2.671 -0.677 -14.962 198 HD21 LEU 23 1HD2 LEU 23 -0.364 2.057 -13.916 199 HD22 LEU 23 2HD2 LEU 23 -1.619 3.205 -13.456 200 HD23 LEU 23 3HD2 LEU 23 -1.298 2.888 -15.165 201 H LYS 24 H LYS 24 -6.770 2.146 -12.996 202 HA LYS 24 HA LYS 24 -8.255 3.397 -15.123 203 HB2 LYS 24 2HB LYS 24 -9.257 2.092 -12.548 204 HB3 LYS 24 3HB LYS 24 -10.290 2.613 -13.875 205 HG2 LYS 24 2HG LYS 24 -8.245 0.387 -13.919 206 HG3 LYS 24 3HG LYS 24 -9.995 0.225 -13.987 207 HD2 LYS 24 2HD LYS 24 -10.008 1.314 -16.216 208 HD3 LYS 24 3HD LYS 24 -8.250 1.500 -16.141 209 HE2 LYS 24 2HE LYS 24 -8.886 -0.450 -17.518 210 HE3 LYS 24 3HE LYS 24 -7.986 -0.958 -16.089 211 HZ1 LYS 24 1HZ LYS 24 -10.949 -1.015 -16.330 212 HZ2 LYS 24 2HZ LYS 24 -10.034 -1.608 -15.038 213 HZ3 LYS 24 3HZ LYS 24 -9.939 -2.352 -16.553 214 H SER 25 H SER 25 -7.735 4.054 -11.670 215 HA SER 25 HA SER 25 -9.530 6.302 -11.581 216 HB2 SER 25 2HB SER 25 -8.522 6.615 -9.257 217 HB3 SER 25 3HB SER 25 -9.250 5.033 -9.543 218 HG SER 25 HG SER 25 -7.319 4.118 -9.514 219 H ASP 26 H ASP 26 -5.955 6.170 -11.001 220 HA ASP 26 HA ASP 26 -5.609 8.620 -12.566 221 HB2 ASP 26 2HB ASP 26 -6.217 9.341 -10.254 222 HB3 ASP 26 3HB ASP 26 -4.817 8.471 -9.628 223 HA PRO 27 HA PRO 27 -1.662 6.445 -13.246 224 HB2 PRO 27 2HB PRO 27 -1.023 7.549 -15.586 225 HB3 PRO 27 3HB PRO 27 -2.514 6.592 -15.446 226 HG2 PRO 27 2HG PRO 27 -2.201 9.574 -15.485 227 HG3 PRO 27 3HG PRO 27 -3.419 8.563 -16.292 228 HD2 PRO 27 2HD PRO 27 -3.760 9.875 -13.818 229 HD3 PRO 27 3HD PRO 27 -4.786 8.567 -14.451 230 H ASN 28 H ASN 28 -1.994 9.641 -12.196 231 HA ASN 28 HA ASN 28 0.827 10.386 -12.391 232 HB2 ASN 28 2HB ASN 28 -1.371 11.747 -10.761 233 HB3 ASN 28 3HB ASN 28 0.214 12.409 -11.150 234 HD21 ASN 28 1HD2 ASN 28 -2.984 11.817 -12.298 235 HD22 ASN 28 2HD2 ASN 28 -2.836 12.652 -13.801 236 H VAL 29 H VAL 29 -1.356 8.850 -10.155 237 HA VAL 29 HA VAL 29 0.359 8.652 -7.902 238 HB VAL 29 HB VAL 29 -1.717 6.618 -8.869 239 HG11 VAL 29 1HG1 VAL 29 -0.199 5.683 -7.174 240 HG12 VAL 29 2HG1 VAL 29 -1.821 5.886 -6.511 241 HG13 VAL 29 3HG1 VAL 29 -0.547 7.037 -6.095 242 HG21 VAL 29 1HG2 VAL 29 -2.119 8.951 -6.959 243 HG22 VAL 29 2HG2 VAL 29 -3.321 7.722 -7.350 244 HG23 VAL 29 3HG2 VAL 29 -2.762 8.832 -8.599 245 H LYS 30 H LYS 30 2.386 7.867 -8.060 246 HA LYS 30 HA LYS 30 3.399 6.211 -10.101 247 HB2 LYS 30 2HB LYS 30 4.865 7.673 -8.763 248 HB3 LYS 30 3HB LYS 30 4.514 6.737 -7.312 249 HG2 LYS 30 2HG LYS 30 6.729 6.180 -8.244 250 HG3 LYS 30 3HG LYS 30 5.652 4.780 -8.264 251 HD2 LYS 30 2HD LYS 30 5.148 5.340 -10.698 252 HD3 LYS 30 3HD LYS 30 6.426 6.554 -10.615 253 HE2 LYS 30 2HE LYS 30 6.796 3.587 -10.108 254 HE3 LYS 30 3HE LYS 30 7.184 4.415 -11.615 255 HZ1 LYS 30 1HZ LYS 30 8.421 4.949 -8.983 256 HZ2 LYS 30 2HZ LYS 30 8.807 5.737 -10.422 257 HZ3 LYS 30 3HZ LYS 30 9.127 4.093 -10.248 258 H THR 31 H THR 31 3.397 4.031 -10.336 259 HA THR 31 HA THR 31 2.475 2.319 -8.092 260 HB THR 31 HB THR 31 1.749 0.702 -9.858 261 HG1 THR 31 HG1 THR 31 2.408 2.835 -11.634 262 HG21 THR 31 1HG2 THR 31 0.073 2.244 -8.913 263 HG22 THR 31 2HG2 THR 31 -0.262 1.911 -10.610 264 HG23 THR 31 3HG2 THR 31 0.477 3.445 -10.153 265 H VAL 32 H VAL 32 3.763 0.710 -7.477 266 HA VAL 32 HA VAL 32 6.303 0.149 -8.912 267 HB VAL 32 HB VAL 32 6.010 0.712 -5.909 268 HG11 VAL 32 1HG1 VAL 32 7.670 -1.062 -6.299 269 HG12 VAL 32 2HG1 VAL 32 8.459 0.417 -5.748 270 HG13 VAL 32 3HG1 VAL 32 8.522 -0.033 -7.453 271 HG21 VAL 32 1HG2 VAL 32 5.956 2.787 -7.241 272 HG22 VAL 32 2HG2 VAL 32 7.478 2.341 -8.015 273 HG23 VAL 32 3HG2 VAL 32 7.437 2.682 -6.285 274 H ARG 33 H ARG 33 6.175 -1.986 -9.383 275 HA ARG 33 HA ARG 33 4.958 -3.870 -7.448 276 HB2 ARG 33 2HB ARG 33 4.050 -3.881 -9.812 277 HB3 ARG 33 3HB ARG 33 5.656 -4.316 -10.393 278 HG2 ARG 33 2HG ARG 33 5.517 -6.400 -8.959 279 HG3 ARG 33 3HG ARG 33 3.839 -5.980 -8.617 280 HD2 ARG 33 2HD ARG 33 3.318 -6.130 -11.033 281 HD3 ARG 33 3HD ARG 33 5.001 -6.557 -11.368 282 HE ARG 33 HE ARG 33 2.976 -8.220 -10.045 283 HH11 ARG 33 1HH1 ARG 33 6.278 -8.012 -11.246 284 HH12 ARG 33 2HH1 ARG 33 6.528 -9.727 -11.189 285 HH21 ARG 33 1HH2 ARG 33 3.302 -10.455 -10.045 286 HH22 ARG 33 2HH2 ARG 33 4.838 -11.106 -10.510 287 H THR 34 H THR 34 6.637 -4.155 -6.039 288 HA THR 34 HA THR 34 9.269 -5.044 -7.086 289 HB THR 34 HB THR 34 9.371 -2.748 -6.111 290 HG1 THR 34 HG1 THR 34 11.277 -3.751 -5.891 291 HG21 THR 34 1HG2 THR 34 8.568 -4.060 -3.482 292 HG22 THR 34 2HG2 THR 34 7.589 -2.917 -4.407 293 HG23 THR 34 3HG2 THR 34 9.110 -2.392 -3.684 294 H ASP 35 H ASP 35 10.512 -6.260 -5.439 295 HA ASP 35 HA ASP 35 8.894 -7.924 -3.587 296 HB2 ASP 35 2HB ASP 35 11.281 -8.741 -5.316 297 HB3 ASP 35 3HB ASP 35 10.625 -9.746 -4.032 298 H ASP 36 H ASP 36 10.853 -5.418 -3.629 299 HA ASP 36 HA ASP 36 12.746 -6.262 -1.506 300 HB2 ASP 36 2HB ASP 36 13.211 -4.120 -3.647 301 HB3 ASP 36 3HB ASP 36 14.375 -4.671 -2.448 302 H LYS 37 H LYS 37 12.183 -5.281 0.375 303 HA LYS 37 HA LYS 37 10.465 -3.036 0.637 304 HB2 LYS 37 2HB LYS 37 11.175 -3.093 3.068 305 HB3 LYS 37 3HB LYS 37 10.522 -4.594 2.431 306 HG2 LYS 37 2HG LYS 37 12.756 -5.561 2.272 307 HG3 LYS 37 3HG LYS 37 13.486 -4.040 2.802 308 HD2 LYS 37 2HD LYS 37 12.492 -4.245 5.000 309 HD3 LYS 37 3HD LYS 37 11.503 -5.619 4.488 310 HE2 LYS 37 2HE LYS 37 13.388 -6.391 5.835 311 HE3 LYS 37 3HE LYS 37 13.561 -6.961 4.174 312 HZ1 LYS 37 1HZ LYS 37 15.100 -5.087 3.795 313 HZ2 LYS 37 2HZ LYS 37 15.651 -6.179 4.956 314 HZ3 LYS 37 3HZ LYS 37 15.005 -4.694 5.437 315 H GLU 38 H GLU 38 13.860 -3.288 0.167 316 HA GLU 38 HA GLU 38 14.665 -0.724 1.134 317 HB2 GLU 38 2HB GLU 38 16.038 -2.439 -0.992 318 HB3 GLU 38 3HB GLU 38 16.759 -1.101 -0.104 319 HG2 GLU 38 2HG GLU 38 17.642 -3.020 0.917 320 HG3 GLU 38 3HG GLU 38 16.378 -2.486 2.023 321 H LYS 39 H LYS 39 13.613 -2.033 -1.986 322 HA LYS 39 HA LYS 39 14.080 0.244 -3.598 323 HB2 LYS 39 2HB LYS 39 13.733 -2.034 -4.539 324 HB3 LYS 39 3HB LYS 39 12.053 -2.000 -4.021 325 HG2 LYS 39 2HG LYS 39 12.209 -1.546 -6.416 326 HG3 LYS 39 3HG LYS 39 11.616 -0.110 -5.572 327 HD2 LYS 39 2HD LYS 39 13.922 0.849 -5.650 328 HD3 LYS 39 3HD LYS 39 14.467 -0.573 -6.545 329 HE2 LYS 39 2HE LYS 39 12.366 1.409 -7.483 330 HE3 LYS 39 3HE LYS 39 14.038 1.341 -8.037 331 HZ1 LYS 39 1HZ LYS 39 12.573 0.272 -9.601 332 HZ2 LYS 39 2HZ LYS 39 11.991 -0.781 -8.415 333 HZ3 LYS 39 3HZ LYS 39 13.604 -0.877 -8.916 334 H VAL 40 H VAL 40 11.322 -0.781 -1.649 335 HA VAL 40 HA VAL 40 9.360 1.018 -2.473 336 HB VAL 40 HB VAL 40 9.806 -0.013 0.371 337 HG11 VAL 40 1HG1 VAL 40 8.186 1.808 0.322 338 HG12 VAL 40 2HG1 VAL 40 7.348 0.283 0.611 339 HG13 VAL 40 3HG1 VAL 40 7.296 1.025 -0.986 340 HG21 VAL 40 1HG2 VAL 40 9.736 -1.897 -1.209 341 HG22 VAL 40 2HG2 VAL 40 8.225 -1.297 -1.894 342 HG23 VAL 40 3HG2 VAL 40 8.272 -1.869 -0.223 343 H LYS 41 H LYS 41 11.839 1.387 0.082 344 HA LYS 41 HA LYS 41 11.109 3.939 1.037 345 HB2 LYS 41 2HB LYS 41 13.794 2.520 1.055 346 HB3 LYS 41 3HB LYS 41 13.467 4.010 1.943 347 HG2 LYS 41 2HG LYS 41 11.780 2.888 3.292 348 HG3 LYS 41 3HG LYS 41 11.999 1.389 2.370 349 HD2 LYS 41 2HD LYS 41 14.286 1.169 3.165 350 HD3 LYS 41 3HD LYS 41 14.221 2.754 3.943 351 HE2 LYS 41 2HE LYS 41 12.641 1.961 5.576 352 HE3 LYS 41 3HE LYS 41 12.452 0.424 4.723 353 HZ1 LYS 41 1HZ LYS 41 14.676 -0.166 5.237 354 HZ2 LYS 41 2HZ LYS 41 13.943 0.330 6.670 355 HZ3 LYS 41 3HZ LYS 41 15.021 1.355 5.876 356 H GLU 42 H GLU 42 13.430 2.974 -1.478 357 HA GLU 42 HA GLU 42 14.494 5.427 -2.248 358 HB2 GLU 42 2HB GLU 42 13.642 3.128 -4.069 359 HB3 GLU 42 3HB GLU 42 14.748 4.416 -4.531 360 HG2 GLU 42 2HG GLU 42 15.257 2.378 -2.350 361 HG3 GLU 42 3HG GLU 42 15.874 2.271 -3.997 362 H GLU 43 H GLU 43 11.560 3.803 -3.292 363 HA GLU 43 HA GLU 43 10.671 5.746 -5.144 364 HB2 GLU 43 2HB GLU 43 9.335 3.348 -3.835 365 HB3 GLU 43 3HB GLU 43 8.560 4.305 -5.089 366 HG2 GLU 43 2HG GLU 43 11.152 2.764 -5.399 367 HG3 GLU 43 3HG GLU 43 9.572 2.245 -5.982 368 H ILE 44 H ILE 44 10.028 5.316 -1.673 369 HA ILE 44 HA ILE 44 7.697 6.941 -1.484 370 HB ILE 44 HB ILE 44 9.808 6.323 0.649 371 HG12 ILE 44 2HG1 ILE 44 7.038 5.118 0.175 372 HG13 ILE 44 3HG1 ILE 44 8.572 4.332 -0.158 373 HG21 ILE 44 1HG2 ILE 44 8.150 7.082 2.336 374 HG22 ILE 44 2HG2 ILE 44 7.084 7.621 1.038 375 HG23 ILE 44 3HG2 ILE 44 8.652 8.398 1.268 376 HD11 ILE 44 1HD1 ILE 44 7.559 3.476 1.866 377 HD12 ILE 44 2HD1 ILE 44 7.546 5.089 2.577 378 HD13 ILE 44 3HD1 ILE 44 9.082 4.288 2.227 379 H GLU 45 H GLU 45 11.177 7.643 -1.175 380 HA GLU 45 HA GLU 45 11.076 10.399 -0.555 381 HB2 GLU 45 2HB GLU 45 13.229 8.902 -2.105 382 HB3 GLU 45 3HB GLU 45 13.426 10.478 -1.338 383 HG2 GLU 45 2HG GLU 45 13.110 9.467 0.869 384 HG3 GLU 45 3HG GLU 45 12.841 7.890 0.122 385 H LYS 46 H LYS 46 11.356 8.703 -3.659 386 HA LYS 46 HA LYS 46 11.628 10.856 -5.421 387 HB2 LYS 46 2HB LYS 46 10.310 8.142 -5.888 388 HB3 LYS 46 3HB LYS 46 10.781 9.253 -7.170 389 HG2 LYS 46 2HG LYS 46 13.131 8.965 -6.662 390 HG3 LYS 46 3HG LYS 46 12.750 8.062 -5.194 391 HD2 LYS 46 2HD LYS 46 13.452 6.506 -6.935 392 HD3 LYS 46 3HD LYS 46 11.742 6.262 -6.577 393 HE2 LYS 46 2HE LYS 46 12.067 6.150 -8.970 394 HE3 LYS 46 3HE LYS 46 11.180 7.631 -8.603 395 HZ1 LYS 46 1HZ LYS 46 13.308 8.836 -8.748 396 HZ2 LYS 46 2HZ LYS 46 12.917 8.066 -10.199 397 HZ3 LYS 46 3HZ LYS 46 14.084 7.403 -9.182 398 H ALA 47 H ALA 47 8.633 9.006 -4.700 399 HA ALA 47 HA ALA 47 6.861 10.583 -6.182 400 HB1 ALA 47 1HB ALA 47 6.342 8.293 -5.457 401 HB2 ALA 47 2HB ALA 47 5.067 9.413 -4.970 402 HB3 ALA 47 3HB ALA 47 6.237 8.828 -3.780 403 H ARG 48 H ARG 48 7.778 10.773 -2.768 404 HA ARG 48 HA ARG 48 5.923 12.598 -1.772 405 HB2 ARG 48 2HB ARG 48 7.484 11.343 -0.332 406 HB3 ARG 48 3HB ARG 48 8.853 12.220 -1.008 407 HG2 ARG 48 2HG ARG 48 7.909 14.331 -0.032 408 HG3 ARG 48 3HG ARG 48 6.640 13.369 0.723 409 HD2 ARG 48 2HD ARG 48 8.344 12.134 2.014 410 HD3 ARG 48 3HD ARG 48 9.619 13.089 1.245 411 HE ARG 48 HE ARG 48 7.625 14.696 2.563 412 HH11 ARG 48 1HH1 ARG 48 10.615 12.898 3.133 413 HH12 ARG 48 2HH1 ARG 48 11.032 13.820 4.544 414 HH21 ARG 48 1HH2 ARG 48 8.172 15.864 4.425 415 HH22 ARG 48 2HH2 ARG 48 9.640 15.505 5.273 416 H LYS 49 H LYS 49 9.148 13.240 -3.156 417 HA LYS 49 HA LYS 49 8.836 16.114 -2.855 418 HB2 LYS 49 2HB LYS 49 11.153 14.506 -4.003 419 HB3 LYS 49 3HB LYS 49 11.165 16.237 -3.672 420 HG2 LYS 49 2HG LYS 49 10.639 15.585 -1.209 421 HG3 LYS 49 3HG LYS 49 11.099 13.949 -1.688 422 HD2 LYS 49 2HD LYS 49 13.036 15.046 -0.700 423 HD3 LYS 49 3HD LYS 49 13.329 14.836 -2.429 424 HE2 LYS 49 2HE LYS 49 12.686 17.208 -2.810 425 HE3 LYS 49 3HE LYS 49 12.419 17.406 -1.078 426 HZ1 LYS 49 1HZ LYS 49 14.566 18.255 -1.678 427 HZ2 LYS 49 2HZ LYS 49 15.009 16.792 -2.397 428 HZ3 LYS 49 3HZ LYS 49 14.774 16.874 -0.728 429 H GLN 50 H GLN 50 8.380 13.783 -5.389 430 HA GLN 50 HA GLN 50 8.226 15.718 -7.546 431 HB2 GLN 50 2HB GLN 50 7.212 12.847 -7.310 432 HB3 GLN 50 3HB GLN 50 7.050 13.814 -8.772 433 HG2 GLN 50 2HG GLN 50 9.682 13.035 -7.479 434 HG3 GLN 50 3HG GLN 50 8.952 12.243 -8.873 435 HE21 GLN 50 1HE2 GLN 50 8.992 13.292 -10.875 436 HE22 GLN 50 2HE2 GLN 50 9.979 14.671 -11.188 437 H GLY 51 H GLY 51 6.264 14.902 -4.884 438 HA2 GLY 51 2HA GLY 51 4.316 15.843 -4.114 439 HA3 GLY 51 3HA GLY 51 4.244 16.833 -5.565 440 H ARG 52 H ARG 52 4.553 13.425 -5.908 441 HA ARG 52 HA ARG 52 1.727 13.155 -6.728 442 HB2 ARG 52 2HB ARG 52 2.461 11.267 -8.151 443 HB3 ARG 52 3HB ARG 52 3.259 12.767 -8.601 444 HG2 ARG 52 2HG ARG 52 5.341 12.055 -7.612 445 HG3 ARG 52 3HG ARG 52 4.569 10.651 -6.867 446 HD2 ARG 52 2HD ARG 52 5.900 10.050 -8.872 447 HD3 ARG 52 3HD ARG 52 4.191 9.640 -9.055 448 HE ARG 52 HE ARG 52 5.233 12.161 -10.181 449 HH11 ARG 52 1HH1 ARG 52 3.839 8.981 -10.755 450 HH12 ARG 52 2HH1 ARG 52 3.496 9.299 -12.419 451 HH21 ARG 52 1HH2 ARG 52 4.762 12.575 -12.346 452 HH22 ARG 52 2HH2 ARG 52 4.022 11.354 -13.331 453 HA PRO 53 HA PRO 53 1.377 9.957 -3.526 454 HB2 PRO 53 2HB PRO 53 -0.779 8.685 -5.118 455 HB3 PRO 53 3HB PRO 53 -0.890 9.523 -3.555 456 HG2 PRO 53 2HG PRO 53 -1.932 10.588 -5.800 457 HG3 PRO 53 3HG PRO 53 -1.223 11.600 -4.519 458 HD2 PRO 53 2HD PRO 53 0.034 10.705 -7.119 459 HD3 PRO 53 3HD PRO 53 0.001 12.327 -6.377 460 H ILE 54 H ILE 54 1.024 7.408 -3.560 461 HA ILE 54 HA ILE 54 2.270 6.052 -5.773 462 HB ILE 54 HB ILE 54 4.230 7.088 -4.685 463 HG12 ILE 54 2HG1 ILE 54 4.293 4.084 -4.207 464 HG13 ILE 54 3HG1 ILE 54 4.381 4.821 -5.803 465 HG21 ILE 54 1HG2 ILE 54 5.001 6.450 -2.437 466 HG22 ILE 54 2HG2 ILE 54 3.533 5.503 -2.193 467 HG23 ILE 54 3HG2 ILE 54 3.428 7.254 -2.369 468 HD11 ILE 54 1HD1 ILE 54 6.444 5.968 -5.157 469 HD12 ILE 54 2HD1 ILE 54 6.571 4.216 -5.023 470 HD13 ILE 54 3HD1 ILE 54 6.372 5.194 -3.568 471 H VAL 55 H VAL 55 1.638 3.982 -5.832 472 HA VAL 55 HA VAL 55 0.608 2.637 -3.419 473 HB VAL 55 HB VAL 55 -0.209 2.088 -6.320 474 HG11 VAL 55 1HG1 VAL 55 -1.889 0.550 -5.352 475 HG12 VAL 55 2HG1 VAL 55 -1.250 0.859 -3.736 476 HG13 VAL 55 3HG1 VAL 55 -0.246 0.046 -4.940 477 HG21 VAL 55 1HG2 VAL 55 -1.180 4.206 -5.502 478 HG22 VAL 55 2HG2 VAL 55 -1.848 3.369 -4.102 479 HG23 VAL 55 3HG2 VAL 55 -2.424 2.974 -5.725 480 H ILE 56 H ILE 56 1.932 1.121 -2.777 481 HA ILE 56 HA ILE 56 4.022 -0.010 -4.492 482 HB ILE 56 HB ILE 56 3.667 -0.105 -1.454 483 HG12 ILE 56 2HG1 ILE 56 4.160 2.208 -2.342 484 HG13 ILE 56 3HG1 ILE 56 5.408 1.584 -1.273 485 HG21 ILE 56 1HG2 ILE 56 6.002 -0.922 -1.380 486 HG22 ILE 56 2HG2 ILE 56 6.044 -0.977 -3.143 487 HG23 ILE 56 3HG2 ILE 56 4.947 -2.035 -2.253 488 HD11 ILE 56 1HD1 ILE 56 6.811 1.066 -3.207 489 HD12 ILE 56 2HD1 ILE 56 6.350 2.766 -3.159 490 HD13 ILE 56 3HD1 ILE 56 5.547 1.672 -4.282 491 H PHE 57 H PHE 57 4.028 -2.173 -4.930 492 HA PHE 57 HA PHE 57 1.984 -3.945 -3.753 493 HB2 PHE 57 2HB PHE 57 3.198 -4.070 -6.562 494 HB3 PHE 57 3HB PHE 57 2.020 -5.205 -5.903 495 HD1 PHE 57 HD1 PHE 57 -0.310 -4.345 -5.301 496 HD2 PHE 57 HD2 PHE 57 2.457 -2.020 -7.600 497 HE1 PHE 57 HE1 PHE 57 -2.148 -2.911 -6.081 498 HE2 PHE 57 HE2 PHE 57 0.603 -0.597 -8.374 499 HZ PHE 57 HZ PHE 57 -1.696 -1.040 -7.612 500 H ILE 58 H ILE 58 3.070 -4.975 -2.239 501 HA ILE 58 HA ILE 58 5.807 -5.990 -2.645 502 HB ILE 58 HB ILE 58 4.161 -5.879 -0.063 503 HG12 ILE 58 2HG1 ILE 58 6.415 -3.995 -0.880 504 HG13 ILE 58 3HG1 ILE 58 4.708 -3.599 -1.032 505 HG21 ILE 58 1HG2 ILE 58 5.909 -7.619 -0.016 506 HG22 ILE 58 2HG2 ILE 58 6.322 -6.303 1.083 507 HG23 ILE 58 3HG2 ILE 58 7.131 -6.430 -0.480 508 HD11 ILE 58 1HD1 ILE 58 4.435 -3.778 1.384 509 HD12 ILE 58 2HD1 ILE 58 5.664 -2.594 0.941 510 HD13 ILE 58 3HD1 ILE 58 6.150 -4.176 1.554 511 H ARG 59 H ARG 59 5.877 -8.036 -3.340 512 HA ARG 59 HA ARG 59 3.679 -9.898 -2.779 513 HB2 ARG 59 2HB ARG 59 4.443 -9.681 -5.106 514 HB3 ARG 59 3HB ARG 59 6.078 -10.139 -4.638 515 HG2 ARG 59 2HG ARG 59 5.298 -12.371 -4.013 516 HG3 ARG 59 3HG ARG 59 3.631 -11.919 -4.386 517 HD2 ARG 59 2HD ARG 59 4.781 -13.263 -6.172 518 HD3 ARG 59 3HD ARG 59 4.122 -11.722 -6.726 519 HE ARG 59 HE ARG 59 6.731 -11.182 -6.083 520 HH11 ARG 59 1HH1 ARG 59 5.188 -13.462 -8.279 521 HH12 ARG 59 2HH1 ARG 59 6.510 -13.446 -9.404 522 HH21 ARG 59 1HH2 ARG 59 8.415 -11.111 -7.557 523 HH22 ARG 59 2HH2 ARG 59 8.359 -12.097 -8.986 524 H GLY 60 H GLY 60 3.871 -10.846 -0.839 525 HA2 GLY 60 2HA GLY 60 4.669 -12.361 0.710 526 HA3 GLY 60 3HA GLY 60 6.141 -12.542 -0.229 527 H ALA 61 H ALA 61 4.630 -10.929 2.445 528 HA ALA 61 HA ALA 61 7.213 -9.721 3.261 529 HB1 ALA 61 1HB ALA 61 5.800 -7.916 2.312 530 HB2 ALA 61 2HB ALA 61 6.043 -7.697 4.045 531 HB3 ALA 61 3HB ALA 61 4.508 -8.326 3.440 532 H THR 62 H THR 62 6.936 -8.948 5.625 533 HA THR 62 HA THR 62 5.092 -10.473 7.276 534 HB THR 62 HB THR 62 7.122 -11.964 6.960 535 HG1 THR 62 HG1 THR 62 5.766 -12.040 8.842 536 HG21 THR 62 1HG2 THR 62 8.584 -9.827 8.564 537 HG22 THR 62 2HG2 THR 62 8.901 -10.240 6.877 538 HG23 THR 62 3HG2 THR 62 9.218 -11.422 8.148 539 H GLU 63 H GLU 63 5.934 -9.802 9.796 540 HA GLU 63 HA GLU 63 5.000 -7.185 10.040 541 HB2 GLU 63 2HB GLU 63 6.606 -8.759 12.093 542 HB3 GLU 63 3HB GLU 63 5.768 -7.248 12.420 543 HG2 GLU 63 2HG GLU 63 3.619 -8.423 11.743 544 HG3 GLU 63 3HG GLU 63 4.539 -9.929 11.747 545 H GLU 64 H GLU 64 8.334 -8.395 10.077 546 HA GLU 64 HA GLU 64 9.543 -5.937 10.823 547 HB2 GLU 64 2HB GLU 64 10.860 -8.291 9.405 548 HB3 GLU 64 3HB GLU 64 11.686 -7.003 10.277 549 HG2 GLU 64 2HG GLU 64 9.931 -9.180 11.421 550 HG3 GLU 64 3HG GLU 64 11.649 -8.933 11.697 551 H VAL 65 H VAL 65 8.799 -7.354 7.653 552 HA VAL 65 HA VAL 65 10.159 -5.473 6.029 553 HB VAL 65 HB VAL 65 7.628 -7.076 5.399 554 HG11 VAL 65 1HG1 VAL 65 7.915 -5.233 3.795 555 HG12 VAL 65 2HG1 VAL 65 8.208 -6.788 3.016 556 HG13 VAL 65 3HG1 VAL 65 9.568 -5.755 3.464 557 HG21 VAL 65 1HG2 VAL 65 9.490 -8.547 6.047 558 HG22 VAL 65 2HG2 VAL 65 10.528 -7.791 4.836 559 HG23 VAL 65 3HG2 VAL 65 9.117 -8.728 4.331 560 H VAL 66 H VAL 66 6.749 -5.700 7.045 561 HA VAL 66 HA VAL 66 5.872 -3.445 5.580 562 HB VAL 66 HB VAL 66 4.438 -4.791 7.919 563 HG11 VAL 66 1HG1 VAL 66 3.348 -3.080 5.647 564 HG12 VAL 66 2HG1 VAL 66 3.469 -2.608 7.345 565 HG13 VAL 66 3HG1 VAL 66 2.371 -3.902 6.864 566 HG21 VAL 66 1HG2 VAL 66 4.230 -5.456 4.950 567 HG22 VAL 66 2HG2 VAL 66 3.282 -6.192 6.248 568 HG23 VAL 66 3HG2 VAL 66 5.027 -6.450 6.172 569 H ARG 67 H ARG 67 6.542 -3.914 9.090 570 HA ARG 67 HA ARG 67 5.798 -1.335 9.952 571 HB2 ARG 67 2HB ARG 67 6.809 -1.825 12.058 572 HB3 ARG 67 3HB ARG 67 6.231 -3.371 11.458 573 HG2 ARG 67 2HG ARG 67 8.513 -4.003 10.800 574 HG3 ARG 67 3HG ARG 67 9.118 -2.424 11.300 575 HD2 ARG 67 2HD ARG 67 9.659 -4.017 13.017 576 HD3 ARG 67 3HD ARG 67 8.398 -2.955 13.642 577 HE ARG 67 HE ARG 67 7.858 -5.680 12.599 578 HH11 ARG 67 1HH1 ARG 67 7.384 -3.248 15.100 579 HH12 ARG 67 2HH1 ARG 67 6.283 -4.229 16.008 580 HH21 ARG 67 1HH2 ARG 67 6.458 -6.962 13.832 581 HH22 ARG 67 2HH2 ARG 67 5.759 -6.333 15.283 582 H ASP 68 H ASP 68 8.814 -2.569 8.661 583 HA ASP 68 HA ASP 68 10.571 -0.452 9.307 584 HB2 ASP 68 2HB ASP 68 11.353 -2.690 8.761 585 HB3 ASP 68 3HB ASP 68 10.626 -2.613 7.163 586 H ILE 69 H ILE 69 8.595 -1.157 6.478 587 HA ILE 69 HA ILE 69 9.324 1.129 4.914 588 HB ILE 69 HB ILE 69 6.972 -0.796 4.772 589 HG12 ILE 69 2HG1 ILE 69 9.502 -0.666 3.064 590 HG13 ILE 69 3HG1 ILE 69 9.252 -1.787 4.399 591 HG21 ILE 69 1HG2 ILE 69 6.586 0.046 2.470 592 HG22 ILE 69 2HG2 ILE 69 7.785 1.307 2.750 593 HG23 ILE 69 3HG2 ILE 69 6.299 1.283 3.701 594 HD11 ILE 69 1HD1 ILE 69 8.874 -2.875 2.291 595 HD12 ILE 69 2HD1 ILE 69 7.655 -1.684 1.847 596 HD13 ILE 69 3HD1 ILE 69 7.371 -2.783 3.201 597 H VAL 70 H VAL 70 6.621 0.414 7.130 598 HA VAL 70 HA VAL 70 5.015 2.646 6.371 599 HB VAL 70 HB VAL 70 4.833 0.758 8.763 600 HG11 VAL 70 1HG1 VAL 70 2.575 1.673 9.197 601 HG12 VAL 70 2HG1 VAL 70 2.839 2.908 7.964 602 HG13 VAL 70 3HG1 VAL 70 3.826 2.901 9.426 603 HG21 VAL 70 1HG2 VAL 70 3.128 0.979 6.245 604 HG22 VAL 70 2HG2 VAL 70 2.899 -0.192 7.548 605 HG23 VAL 70 3HG2 VAL 70 4.353 -0.253 6.552 606 H GLU 71 H GLU 71 7.214 2.037 9.135 607 HA GLU 71 HA GLU 71 6.883 4.471 10.509 608 HB2 GLU 71 2HB GLU 71 9.031 4.006 11.591 609 HB3 GLU 71 3HB GLU 71 8.087 2.527 11.470 610 HG2 GLU 71 2HG GLU 71 9.433 1.818 9.527 611 HG3 GLU 71 3HG GLU 71 10.375 3.302 9.631 612 H TYR 72 H TYR 72 8.822 3.616 7.712 613 HA TYR 72 HA TYR 72 10.473 5.893 7.544 614 HB2 TYR 72 2HB TYR 72 10.771 3.689 6.293 615 HB3 TYR 72 3HB TYR 72 9.468 4.183 5.222 616 HD1 TYR 72 HD1 TYR 72 12.962 4.743 6.183 617 HD2 TYR 72 HD2 TYR 72 9.837 6.007 3.556 618 HE1 TYR 72 HE1 TYR 72 14.600 5.931 4.808 619 HE2 TYR 72 HE2 TYR 72 11.486 7.201 2.173 620 HH TYR 72 HH TYR 72 14.816 6.749 2.488 621 H ALA 73 H ALA 73 7.386 5.057 5.996 622 HA ALA 73 HA ALA 73 6.905 7.499 4.656 623 HB1 ALA 73 1HB ALA 73 4.934 5.397 5.603 624 HB2 ALA 73 2HB ALA 73 5.798 5.393 4.066 625 HB3 ALA 73 3HB ALA 73 4.610 6.652 4.397 626 H GLN 74 H GLN 74 6.312 6.490 7.966 627 HA GLN 74 HA GLN 74 4.601 8.692 8.685 628 HB2 GLN 74 2HB GLN 74 6.123 6.698 10.419 629 HB3 GLN 74 3HB GLN 74 4.983 7.888 11.045 630 HG2 GLN 74 2HG GLN 74 3.165 6.836 9.730 631 HG3 GLN 74 3HG GLN 74 4.302 5.644 9.114 632 HE21 GLN 74 1HE2 GLN 74 2.388 6.622 11.852 633 HE22 GLN 74 2HE2 GLN 74 2.626 5.187 12.781 634 H LYS 75 H LYS 75 8.119 8.140 8.677 635 HA LYS 75 HA LYS 75 8.885 10.519 10.079 636 HB2 LYS 75 2HB LYS 75 10.411 9.108 7.840 637 HB3 LYS 75 3HB LYS 75 11.072 10.347 8.900 638 HG2 LYS 75 2HG LYS 75 10.696 8.761 10.831 639 HG3 LYS 75 3HG LYS 75 10.272 7.524 9.647 640 HD2 LYS 75 2HD LYS 75 12.945 8.978 9.818 641 HD3 LYS 75 3HD LYS 75 12.636 7.337 10.379 642 HE2 LYS 75 2HE LYS 75 13.735 7.117 8.285 643 HE3 LYS 75 3HE LYS 75 12.047 6.747 7.966 644 HZ1 LYS 75 1HZ LYS 75 11.761 8.825 6.882 645 HZ2 LYS 75 2HZ LYS 75 13.220 8.197 6.300 646 HZ3 LYS 75 3HZ LYS 75 13.236 9.419 7.462 647 H GLU 76 H GLU 76 8.204 9.737 6.683 648 HA GLU 76 HA GLU 76 8.769 12.289 5.569 649 HB2 GLU 76 2HB GLU 76 6.777 10.290 4.424 650 HB3 GLU 76 3HB GLU 76 7.738 11.474 3.555 651 HG2 GLU 76 2HG GLU 76 8.632 8.867 4.772 652 HG3 GLU 76 3HG GLU 76 8.645 9.331 3.082 653 H GLY 77 H GLY 77 6.076 10.934 7.272 654 HA2 GLY 77 2HA GLY 77 4.286 11.922 8.298 655 HA3 GLY 77 3HA GLY 77 4.829 13.482 7.691 656 H LEU 78 H LEU 78 4.208 10.711 5.654 657 HA LEU 78 HA LEU 78 2.147 12.190 4.181 658 HB2 LEU 78 2HB LEU 78 3.507 9.549 3.481 659 HB3 LEU 78 3HB LEU 78 2.481 10.505 2.419 660 HG LEU 78 HG LEU 78 5.249 11.268 3.432 661 HD11 LEU 78 1HD1 LEU 78 5.907 11.203 1.065 662 HD12 LEU 78 2HD1 LEU 78 4.295 10.630 0.627 663 HD13 LEU 78 3HD1 LEU 78 5.343 9.635 1.640 664 HD21 LEU 78 1HD2 LEU 78 3.882 13.271 3.359 665 HD22 LEU 78 2HD2 LEU 78 3.368 12.902 1.711 666 HD23 LEU 78 3HD2 LEU 78 5.058 13.294 2.043 667 H ARG 79 H ARG 79 0.150 11.093 3.528 668 HA ARG 79 HA ARG 79 -1.163 9.706 5.642 669 HB2 ARG 79 2HB ARG 79 -2.362 11.261 4.126 670 HB3 ARG 79 3HB ARG 79 -2.019 10.211 2.756 671 HG2 ARG 79 2HG ARG 79 -4.318 9.905 3.447 672 HG3 ARG 79 3HG ARG 79 -3.412 8.436 3.795 673 HD2 ARG 79 2HD ARG 79 -4.881 8.892 5.653 674 HD3 ARG 79 3HD ARG 79 -3.221 9.179 6.174 675 HE ARG 79 HE ARG 79 -3.645 11.575 5.961 676 HH11 ARG 79 1HH1 ARG 79 -6.504 9.512 6.062 677 HH12 ARG 79 2HH1 ARG 79 -7.549 10.786 6.597 678 HH21 ARG 79 1HH2 ARG 79 -5.037 13.239 6.656 679 HH22 ARG 79 2HH2 ARG 79 -6.714 12.898 6.933 680 H VAL 80 H VAL 80 -0.870 7.574 6.077 681 HA VAL 80 HA VAL 80 0.150 5.758 3.981 682 HB VAL 80 HB VAL 80 0.208 5.222 6.990 683 HG11 VAL 80 1HG1 VAL 80 1.975 3.584 6.408 684 HG12 VAL 80 2HG1 VAL 80 1.788 3.986 4.699 685 HG13 VAL 80 3HG1 VAL 80 0.460 3.222 5.574 686 HG21 VAL 80 1HG2 VAL 80 2.565 5.964 7.016 687 HG22 VAL 80 2HG2 VAL 80 1.489 7.288 6.564 688 HG23 VAL 80 3HG2 VAL 80 2.434 6.461 5.326 689 H LEU 81 H LEU 81 -1.370 4.530 3.058 690 HA LEU 81 HA LEU 81 -3.650 3.432 4.627 691 HB2 LEU 81 2HB LEU 81 -3.487 3.794 1.591 692 HB3 LEU 81 3HB LEU 81 -4.862 3.211 2.502 693 HG LEU 81 HG LEU 81 -5.425 5.391 1.804 694 HD11 LEU 81 1HD1 LEU 81 -4.563 5.674 4.680 695 HD12 LEU 81 2HD1 LEU 81 -6.064 4.948 4.101 696 HD13 LEU 81 3HD1 LEU 81 -5.760 6.664 3.836 697 HD21 LEU 81 1HD2 LEU 81 -2.781 6.428 2.845 698 HD22 LEU 81 2HD2 LEU 81 -4.062 7.389 2.100 699 HD23 LEU 81 3HD2 LEU 81 -3.208 6.174 1.150 700 H VAL 82 H VAL 82 -3.248 1.297 5.064 701 HA VAL 82 HA VAL 82 -1.497 -0.245 3.241 702 HB VAL 82 HB VAL 82 -1.926 -0.708 6.230 703 HG11 VAL 82 1HG1 VAL 82 -0.025 -2.107 4.305 704 HG12 VAL 82 2HG1 VAL 82 -1.448 -2.822 5.066 705 HG13 VAL 82 3HG1 VAL 82 -0.067 -2.344 6.054 706 HG21 VAL 82 1HG2 VAL 82 0.403 0.088 6.513 707 HG22 VAL 82 2HG2 VAL 82 -0.640 1.345 5.841 708 HG23 VAL 82 3HG2 VAL 82 0.476 0.470 4.791 709 H ILE 83 H ILE 83 -2.675 -1.534 1.992 710 HA ILE 83 HA ILE 83 -4.955 -3.066 3.108 711 HB ILE 83 HB ILE 83 -4.111 -2.825 0.174 712 HG12 ILE 83 2HG1 ILE 83 -6.270 -1.378 1.750 713 HG13 ILE 83 3HG1 ILE 83 -4.930 -0.664 0.866 714 HG21 ILE 83 1HG2 ILE 83 -6.630 -4.045 1.383 715 HG22 ILE 83 2HG2 ILE 83 -5.281 -4.952 0.697 716 HG23 ILE 83 3HG2 ILE 83 -6.264 -3.918 -0.339 717 HD11 ILE 83 1HD1 ILE 83 -7.016 -0.343 -0.285 718 HD12 ILE 83 2HD1 ILE 83 -7.299 -2.079 -0.344 719 HD13 ILE 83 3HD1 ILE 83 -5.948 -1.368 -1.234 720 H MET 84 H MET 84 -4.764 -5.258 3.317 721 HA MET 84 HA MET 84 -2.413 -6.663 2.196 722 HB2 MET 84 2HB MET 84 -3.513 -6.800 5.038 723 HB3 MET 84 3HB MET 84 -2.418 -8.009 4.383 724 HG2 MET 84 2HG MET 84 -0.633 -6.446 4.216 725 HG3 MET 84 3HG MET 84 -1.707 -5.074 4.473 726 HE1 MET 84 1HE MET 84 -3.459 -5.563 6.898 727 HE2 MET 84 2HE MET 84 -2.404 -4.149 6.833 728 HE3 MET 84 3HE MET 84 -2.430 -5.169 8.272 729 H VAL 85 H VAL 85 -3.151 -8.196 0.863 730 HA VAL 85 HA VAL 85 -5.788 -9.455 1.343 731 HB VAL 85 HB VAL 85 -4.612 -8.873 -1.416 732 HG11 VAL 85 1HG1 VAL 85 -6.141 -10.785 -1.393 733 HG12 VAL 85 2HG1 VAL 85 -6.891 -9.426 -2.234 734 HG13 VAL 85 3HG1 VAL 85 -7.381 -9.820 -0.583 735 HG21 VAL 85 1HG2 VAL 85 -5.150 -6.735 -0.306 736 HG22 VAL 85 2HG2 VAL 85 -6.792 -7.302 0.002 737 HG23 VAL 85 3HG2 VAL 85 -6.241 -7.053 -1.656 738 H ASP 86 H ASP 86 -5.460 -11.528 1.837 739 HA ASP 86 HA ASP 86 -4.163 -13.456 0.278 740 HB2 ASP 86 2HB ASP 86 -2.053 -12.356 1.053 741 HB3 ASP 86 3HB ASP 86 -2.532 -12.603 2.725 742 H GLN 87 H GLN 87 -4.488 -15.591 1.178 743 HA GLN 87 HA GLN 87 -6.878 -15.779 2.682 744 HB2 GLN 87 2HB GLN 87 -4.940 -17.953 1.817 745 HB3 GLN 87 3HB GLN 87 -6.547 -18.252 2.475 746 HG2 GLN 87 2HG GLN 87 -7.557 -17.067 0.548 747 HG3 GLN 87 3HG GLN 87 -5.945 -16.768 -0.107 748 HE21 GLN 87 1HE2 GLN 87 -6.375 -17.933 -2.024 749 HE22 GLN 87 2HE2 GLN 87 -6.501 -19.656 -2.041 750 H ASP 88 H ASP 88 -3.509 -16.054 3.609 751 HA ASP 88 HA ASP 88 -3.995 -17.178 6.231 752 HB2 ASP 88 2HB ASP 88 -1.521 -15.933 4.953 753 HB3 ASP 88 3HB ASP 88 -1.550 -16.465 6.629 754 H GLN 89 H GLN 89 -5.645 -15.725 6.862 755 HA GLN 89 HA GLN 89 -5.191 -12.931 7.263 756 HB2 GLN 89 2HB GLN 89 -7.385 -14.816 8.195 757 HB3 GLN 89 3HB GLN 89 -7.381 -13.094 8.570 758 HG2 GLN 89 2HG GLN 89 -7.390 -14.272 5.773 759 HG3 GLN 89 3HG GLN 89 -8.786 -13.600 6.612 760 HE21 GLN 89 1HE2 GLN 89 -7.508 -12.772 4.104 761 HE22 GLN 89 2HE2 GLN 89 -7.091 -11.110 4.306 762 H GLU 90 H GLU 90 -4.391 -15.724 9.151 763 HA GLU 90 HA GLU 90 -4.272 -14.682 11.744 764 HB2 GLU 90 2HB GLU 90 -2.347 -16.628 10.404 765 HB3 GLU 90 3HB GLU 90 -2.389 -16.302 12.136 766 HG2 GLU 90 2HG GLU 90 -4.715 -17.138 12.224 767 HG3 GLU 90 3HG GLU 90 -4.630 -17.526 10.506 768 H GLU 91 H GLU 91 -1.743 -14.644 9.226 769 HA GLU 91 HA GLU 91 0.040 -12.990 10.751 770 HB2 GLU 91 2HB GLU 91 1.490 -13.013 8.772 771 HB3 GLU 91 3HB GLU 91 0.953 -14.634 9.186 772 HG2 GLU 91 2HG GLU 91 -0.690 -14.565 7.350 773 HG3 GLU 91 3HG GLU 91 -0.169 -12.930 6.944 774 H LEU 92 H LEU 92 -2.317 -12.403 8.145 775 HA LEU 92 HA LEU 92 -1.588 -9.740 7.519 776 HB2 LEU 92 2HB LEU 92 -4.009 -11.452 7.052 777 HB3 LEU 92 3HB LEU 92 -4.255 -9.720 6.923 778 HG LEU 92 HG LEU 92 -2.557 -9.572 5.148 779 HD11 LEU 92 1HD1 LEU 92 -1.058 -11.394 5.777 780 HD12 LEU 92 2HD1 LEU 92 -1.563 -11.521 4.094 781 HD13 LEU 92 3HD1 LEU 92 -2.284 -12.575 5.311 782 HD21 LEU 92 1HD2 LEU 92 -3.826 -10.713 3.390 783 HD22 LEU 92 2HD2 LEU 92 -4.889 -9.912 4.546 784 HD23 LEU 92 3HD2 LEU 92 -4.673 -11.665 4.613 785 H GLU 93 H GLU 93 -4.017 -10.978 9.809 786 HA GLU 93 HA GLU 93 -4.801 -8.405 10.814 787 HB2 GLU 93 2HB GLU 93 -5.304 -11.201 11.913 788 HB3 GLU 93 3HB GLU 93 -6.075 -9.734 12.514 789 HG2 GLU 93 2HG GLU 93 -7.166 -9.372 10.342 790 HG3 GLU 93 3HG GLU 93 -6.328 -10.767 9.665 791 H ARG 94 H ARG 94 -2.236 -10.632 11.562 792 HA ARG 94 HA ARG 94 -1.481 -9.546 14.098 793 HB2 ARG 94 2HB ARG 94 -0.708 -11.774 13.415 794 HB3 ARG 94 3HB ARG 94 0.136 -11.095 12.027 795 HG2 ARG 94 2HG ARG 94 1.730 -11.656 13.776 796 HG3 ARG 94 3HG ARG 94 1.680 -9.908 13.545 797 HD2 ARG 94 2HD ARG 94 0.065 -9.830 15.543 798 HD3 ARG 94 3HD ARG 94 0.501 -11.523 15.826 799 HE ARG 94 HE ARG 94 2.754 -9.725 15.583 800 HH11 ARG 94 1HH1 ARG 94 0.469 -11.122 17.879 801 HH12 ARG 94 2HH1 ARG 94 1.497 -10.850 19.246 802 HH21 ARG 94 1HH2 ARG 94 4.070 -9.370 17.374 803 HH22 ARG 94 2HH2 ARG 94 3.548 -9.850 18.952 804 H ILE 95 H ILE 95 -0.463 -8.874 10.713 805 HA ILE 95 HA ILE 95 1.348 -6.761 11.228 806 HB ILE 95 HB ILE 95 -0.523 -6.914 8.811 807 HG12 ILE 95 2HG1 ILE 95 0.699 -9.067 9.012 808 HG13 ILE 95 3HG1 ILE 95 1.165 -8.181 7.577 809 HG21 ILE 95 1HG2 ILE 95 0.617 -4.765 9.011 810 HG22 ILE 95 2HG2 ILE 95 1.248 -5.656 7.626 811 HG23 ILE 95 3HG2 ILE 95 2.186 -5.571 9.119 812 HD11 ILE 95 1HD1 ILE 95 2.749 -8.384 10.120 813 HD12 ILE 95 2HD1 ILE 95 3.229 -7.511 8.662 814 HD13 ILE 95 3HD1 ILE 95 3.041 -9.262 8.621 815 H TYR 96 H TYR 96 -2.125 -6.842 10.546 816 HA TYR 96 HA TYR 96 -2.828 -4.169 10.612 817 HB2 TYR 96 2HB TYR 96 -4.354 -5.964 9.874 818 HB3 TYR 96 3HB TYR 96 -4.395 -6.657 11.482 819 HD1 TYR 96 HD1 TYR 96 -6.003 -4.357 9.207 820 HD2 TYR 96 HD2 TYR 96 -5.579 -5.295 13.355 821 HE1 TYR 96 HE1 TYR 96 -8.056 -3.090 9.710 822 HE2 TYR 96 HE2 TYR 96 -7.618 -4.022 13.856 823 HH TYR 96 HH TYR 96 -9.789 -2.954 11.491 824 H GLU 97 H GLU 97 -2.453 -6.454 13.329 825 HA GLU 97 HA GLU 97 -3.488 -4.877 15.419 826 HB2 GLU 97 2HB GLU 97 -3.060 -7.299 15.650 827 HB3 GLU 97 3HB GLU 97 -1.325 -7.026 15.513 828 HG2 GLU 97 2HG GLU 97 -1.375 -5.729 17.624 829 HG3 GLU 97 3HG GLU 97 -3.105 -6.033 17.765 830 H GLN 98 H GLN 98 -0.115 -5.339 14.338 831 HA GLN 98 HA GLN 98 1.115 -3.589 16.181 832 HB2 GLN 98 2HB GLN 98 2.422 -5.285 14.993 833 HB3 GLN 98 3HB GLN 98 2.060 -4.535 13.440 834 HG2 GLN 98 2HG GLN 98 4.358 -4.036 14.201 835 HG3 GLN 98 3HG GLN 98 3.390 -2.572 14.020 836 HE21 GLN 98 1HE2 GLN 98 4.507 -1.295 15.440 837 HE22 GLN 98 2HE2 GLN 98 4.653 -1.617 17.134 838 H LEU 99 H LEU 99 -0.071 -3.060 12.877 839 HA LEU 99 HA LEU 99 0.879 -0.348 12.711 840 HB2 LEU 99 2HB LEU 99 -0.724 -2.181 10.932 841 HB3 LEU 99 3HB LEU 99 -0.730 -0.458 10.591 842 HG LEU 99 HG LEU 99 1.714 -0.484 10.291 843 HD11 LEU 99 1HD1 LEU 99 2.387 -2.269 11.797 844 HD12 LEU 99 2HD1 LEU 99 3.028 -2.537 10.178 845 HD13 LEU 99 3HD1 LEU 99 1.633 -3.465 10.739 846 HD21 LEU 99 1HD2 LEU 99 1.805 -1.693 8.172 847 HD22 LEU 99 2HD2 LEU 99 0.279 -0.830 8.350 848 HD23 LEU 99 3HD2 LEU 99 0.338 -2.576 8.608 849 H LYS 100 H LYS 100 -2.123 -1.864 13.731 850 HA LYS 100 HA LYS 100 -3.778 0.459 13.759 851 HB2 LYS 100 2HB LYS 100 -4.074 -2.306 14.581 852 HB3 LYS 100 3HB LYS 100 -4.496 -1.329 15.967 853 HG2 LYS 100 2HG LYS 100 -5.789 -1.271 13.234 854 HG3 LYS 100 3HG LYS 100 -6.486 -1.875 14.739 855 HD2 LYS 100 2HD LYS 100 -6.273 0.507 15.650 856 HD3 LYS 100 3HD LYS 100 -5.874 1.014 14.005 857 HE2 LYS 100 2HE LYS 100 -8.475 -0.199 14.993 858 HE3 LYS 100 3HE LYS 100 -8.217 1.416 14.340 859 HZ1 LYS 100 1HZ LYS 100 -8.094 -1.148 12.861 860 HZ2 LYS 100 2HZ LYS 100 -7.640 0.332 12.205 861 HZ3 LYS 100 3HZ LYS 100 -9.235 0.083 12.679 862 H LYS 101 H LYS 101 -1.473 -0.982 15.976 863 HA LYS 101 HA LYS 101 -1.802 0.722 18.211 864 HB2 LYS 101 2HB LYS 101 -0.651 -1.521 18.197 865 HB3 LYS 101 3HB LYS 101 0.692 -0.797 17.323 866 HG2 LYS 101 2HG LYS 101 0.973 0.772 19.324 867 HG3 LYS 101 3HG LYS 101 -0.180 -0.249 20.180 868 HD2 LYS 101 2HD LYS 101 2.519 -1.111 19.064 869 HD3 LYS 101 3HD LYS 101 2.141 -0.845 20.761 870 HE2 LYS 101 2HE LYS 101 2.097 -3.188 20.552 871 HE3 LYS 101 3HE LYS 101 0.393 -2.759 20.442 872 HZ1 LYS 101 1HZ LYS 101 0.534 -2.975 18.038 873 HZ2 LYS 101 2HZ LYS 101 1.031 -4.399 18.789 874 HZ3 LYS 101 3HZ LYS 101 2.179 -3.347 18.137 875 H ASP 102 H ASP 102 0.283 0.867 15.332 876 HA ASP 102 HA ASP 102 1.632 3.312 16.017 877 HB2 ASP 102 2HB ASP 102 1.410 1.738 13.419 878 HB3 ASP 102 3HB ASP 102 2.329 3.235 13.527 879 H GLY 103 H GLY 103 -1.541 2.773 15.021 880 HA2 GLY 103 2HA GLY 103 -3.238 4.305 14.686 881 HA3 GLY 103 3HA GLY 103 -2.053 5.599 14.729 882 H VAL 104 H VAL 104 -1.634 2.955 12.590 883 HA VAL 104 HA VAL 104 -1.827 4.644 10.217 884 HB VAL 104 HB VAL 104 -0.846 1.768 10.564 885 HG11 VAL 104 1HG1 VAL 104 -0.519 3.621 8.177 886 HG12 VAL 104 2HG1 VAL 104 -1.526 2.172 8.239 887 HG13 VAL 104 3HG1 VAL 104 0.229 2.030 8.354 888 HG21 VAL 104 1HG2 VAL 104 0.515 3.398 11.830 889 HG22 VAL 104 2HG2 VAL 104 0.782 4.327 10.351 890 HG23 VAL 104 3HG2 VAL 104 1.424 2.690 10.492 891 H ASP 105 H ASP 105 -3.239 4.224 8.479 892 HA ASP 105 HA ASP 105 -5.702 2.871 8.987 893 HB2 ASP 105 2HB ASP 105 -5.500 4.838 7.413 894 HB3 ASP 105 3HB ASP 105 -4.577 3.828 6.307 895 H VAL 106 H VAL 106 -5.904 0.738 8.940 896 HA VAL 106 HA VAL 106 -4.479 -0.889 6.942 897 HB VAL 106 HB VAL 106 -4.435 -2.751 8.854 898 HG11 VAL 106 1HG1 VAL 106 -2.139 -2.154 9.409 899 HG12 VAL 106 2HG1 VAL 106 -2.387 -0.515 8.801 900 HG13 VAL 106 3HG1 VAL 106 -2.455 -1.890 7.694 901 HG21 VAL 106 1HG2 VAL 106 -4.307 -0.216 10.551 902 HG22 VAL 106 2HG2 VAL 106 -3.966 -1.855 11.119 903 HG23 VAL 106 3HG2 VAL 106 -5.594 -1.425 10.591 904 H ARG 107 H ARG 107 -5.542 -2.597 6.169 905 HA ARG 107 HA ARG 107 -8.176 -3.392 7.060 906 HB2 ARG 107 2HB ARG 107 -9.277 -2.765 4.911 907 HB3 ARG 107 3HB ARG 107 -8.722 -1.363 5.808 908 HG2 ARG 107 2HG ARG 107 -6.711 -1.264 4.290 909 HG3 ARG 107 3HG ARG 107 -7.431 -2.566 3.337 910 HD2 ARG 107 2HD ARG 107 -7.939 -0.476 2.247 911 HD3 ARG 107 3HD ARG 107 -9.437 -1.079 2.966 912 HE ARG 107 HE ARG 107 -7.957 0.764 4.649 913 HH11 ARG 107 1HH1 ARG 107 -10.365 0.554 2.080 914 HH12 ARG 107 2HH1 ARG 107 -11.061 2.089 2.454 915 HH21 ARG 107 1HH2 ARG 107 -8.840 2.794 5.094 916 HH22 ARG 107 2HH2 ARG 107 -10.198 3.372 4.172 917 H VAL 108 H VAL 108 -8.555 -5.481 6.483 918 HA VAL 108 HA VAL 108 -6.632 -6.835 4.681 919 HB VAL 108 HB VAL 108 -6.635 -8.796 6.223 920 HG11 VAL 108 1HG1 VAL 108 -5.709 -6.235 7.571 921 HG12 VAL 108 2HG1 VAL 108 -4.802 -7.174 6.380 922 HG13 VAL 108 3HG1 VAL 108 -5.162 -7.870 7.960 923 HG21 VAL 108 1HG2 VAL 108 -8.789 -8.444 7.363 924 HG22 VAL 108 2HG2 VAL 108 -8.153 -7.008 8.167 925 HG23 VAL 108 3HG2 VAL 108 -7.482 -8.599 8.540 926 H THR 109 H THR 109 -7.433 -8.464 3.408 927 HA THR 109 HA THR 109 -10.005 -9.726 3.799 928 HB THR 109 HB THR 109 -10.702 -7.624 2.609 929 HG1 THR 109 HG1 THR 109 -11.773 -9.679 2.210 930 HG21 THR 109 1HG2 THR 109 -10.083 -7.235 0.255 931 HG22 THR 109 2HG2 THR 109 -8.968 -8.601 0.309 932 HG23 THR 109 3HG2 THR 109 -8.659 -7.170 1.297 933 H ASP 110 H ASP 110 -10.321 -11.422 1.988 934 HA ASP 110 HA ASP 110 -7.857 -12.104 0.533 935 HB2 ASP 110 2HB ASP 110 -8.117 -14.535 1.151 936 HB3 ASP 110 3HB ASP 110 -7.618 -13.502 2.475 937 H ASN 111 H ASN 111 -8.930 -11.308 -1.203 938 HA ASN 111 HA ASN 111 -9.704 -13.100 -3.078 939 HB2 ASN 111 2HB ASN 111 -12.090 -12.768 -3.530 940 HB3 ASN 111 3HB ASN 111 -11.926 -13.349 -1.885 941 HD21 ASN 111 1HD2 ASN 111 -12.260 -11.830 -0.145 942 HD22 ASN 111 2HD2 ASN 111 -13.226 -10.424 -0.406 943 H GLU 112 H GLU 112 -9.854 -12.058 -5.095 944 HA GLU 112 HA GLU 112 -8.533 -9.588 -5.321 945 HB2 GLU 112 2HB GLU 112 -9.031 -9.799 -7.762 946 HB3 GLU 112 3HB GLU 112 -8.342 -11.259 -7.055 947 HG2 GLU 112 2HG GLU 112 -10.556 -12.303 -6.971 948 HG3 GLU 112 3HG GLU 112 -11.295 -10.828 -7.591 949 H ASP 113 H ASP 113 -11.997 -10.334 -5.337 950 HA ASP 113 HA ASP 113 -12.933 -8.133 -6.852 951 HB2 ASP 113 2HB ASP 113 -14.424 -9.775 -4.746 952 HB3 ASP 113 3HB ASP 113 -15.181 -8.726 -5.944 953 H GLU 114 H GLU 114 -13.359 -8.687 -3.356 954 HA GLU 114 HA GLU 114 -14.038 -6.063 -2.650 955 HB2 GLU 114 2HB GLU 114 -13.133 -8.485 -1.066 956 HB3 GLU 114 3HB GLU 114 -13.311 -6.927 -0.259 957 HG2 GLU 114 2HG GLU 114 -15.321 -8.307 0.008 958 HG3 GLU 114 3HG GLU 114 -15.663 -6.820 -0.865 959 H ALA 115 H ALA 115 -10.904 -7.672 -2.894 960 HA ALA 115 HA ALA 115 -9.229 -5.847 -1.632 961 HB1 ALA 115 1HB ALA 115 -7.460 -6.669 -3.131 962 HB2 ALA 115 2HB ALA 115 -8.677 -7.404 -4.181 963 HB3 ALA 115 3HB ALA 115 -8.454 -7.994 -2.531 964 H LYS 116 H LYS 116 -10.430 -5.847 -4.966 965 HA LYS 116 HA LYS 116 -9.048 -3.536 -5.898 966 HB2 LYS 116 2HB LYS 116 -11.468 -5.045 -6.966 967 HB3 LYS 116 3HB LYS 116 -10.667 -3.746 -7.846 968 HG2 LYS 116 2HG LYS 116 -8.627 -5.036 -8.057 969 HG3 LYS 116 3HG LYS 116 -9.247 -6.281 -6.969 970 HD2 LYS 116 2HD LYS 116 -9.395 -7.062 -9.286 971 HD3 LYS 116 3HD LYS 116 -11.017 -6.843 -8.625 972 HE2 LYS 116 2HE LYS 116 -11.223 -4.699 -9.812 973 HE3 LYS 116 3HE LYS 116 -9.575 -4.864 -10.422 974 HZ1 LYS 116 1HZ LYS 116 -10.298 -6.902 -11.571 975 HZ2 LYS 116 2HZ LYS 116 -11.105 -5.522 -12.103 976 HZ3 LYS 116 3HZ LYS 116 -11.887 -6.611 -11.075 977 H LYS 117 H LYS 117 -12.134 -4.021 -4.332 978 HA LYS 117 HA LYS 117 -13.278 -1.453 -4.989 979 HB2 LYS 117 2HB LYS 117 -14.107 -3.567 -2.945 980 HB3 LYS 117 3HB LYS 117 -15.093 -2.181 -3.422 981 HG2 LYS 117 2HG LYS 117 -15.328 -3.020 -5.677 982 HG3 LYS 117 3HG LYS 117 -14.129 -4.283 -5.392 983 HD2 LYS 117 2HD LYS 117 -15.687 -5.331 -3.730 984 HD3 LYS 117 3HD LYS 117 -16.895 -4.106 -4.128 985 HE2 LYS 117 2HE LYS 117 -16.969 -4.910 -6.449 986 HE3 LYS 117 3HE LYS 117 -15.708 -6.094 -6.095 987 HZ1 LYS 117 1HZ LYS 117 -18.394 -6.045 -4.822 988 HZ2 LYS 117 2HZ LYS 117 -17.199 -7.215 -4.588 989 HZ3 LYS 117 3HZ LYS 117 -17.942 -7.059 -6.097 990 H ARG 118 H ARG 118 -11.741 -2.929 -2.123 991 HA ARG 118 HA ARG 118 -11.798 -0.655 -0.407 992 HB2 ARG 118 2HB ARG 118 -9.848 -3.011 -0.409 993 HB3 ARG 118 3HB ARG 118 -10.062 -1.877 0.920 994 HG2 ARG 118 2HG ARG 118 -12.221 -3.733 -0.119 995 HG3 ARG 118 3HG ARG 118 -11.177 -4.092 1.250 996 HD2 ARG 118 2HD ARG 118 -12.962 -1.646 1.164 997 HD3 ARG 118 3HD ARG 118 -13.509 -3.209 1.776 998 HE ARG 118 HE ARG 118 -11.420 -2.964 3.290 999 HH11 ARG 118 1HH1 ARG 118 -13.567 -0.322 2.393 1000 HH12 ARG 118 2HH1 ARG 118 -13.285 0.550 3.870 1001 HH21 ARG 118 1HH2 ARG 118 -11.144 -1.868 5.247 1002 HH22 ARG 118 2HH2 ARG 118 -11.911 -0.330 5.483 1003 H LEU 119 H LEU 119 -9.622 -1.803 -2.890 1004 HA LEU 119 HA LEU 119 -7.402 -0.096 -2.533 1005 HB2 LEU 119 2HB LEU 119 -7.741 -2.267 -4.011 1006 HB3 LEU 119 3HB LEU 119 -8.310 -1.166 -5.237 1007 HG LEU 119 HG LEU 119 -5.960 -1.871 -5.589 1008 HD11 LEU 119 1HD1 LEU 119 -4.933 0.292 -5.994 1009 HD12 LEU 119 2HD1 LEU 119 -6.158 1.077 -4.997 1010 HD13 LEU 119 3HD1 LEU 119 -6.624 0.275 -6.499 1011 HD21 LEU 119 1HD2 LEU 119 -4.153 -1.136 -4.116 1012 HD22 LEU 119 2HD2 LEU 119 -5.282 -2.181 -3.260 1013 HD23 LEU 119 3HD2 LEU 119 -5.326 -0.436 -2.994 1014 H LYS 120 H LYS 120 -10.329 0.131 -4.546 1015 HA LYS 120 HA LYS 120 -9.685 2.555 -5.857 1016 HB2 LYS 120 2HB LYS 120 -11.348 0.827 -6.663 1017 HB3 LYS 120 3HB LYS 120 -12.462 1.374 -5.412 1018 HG2 LYS 120 2HG LYS 120 -12.589 3.598 -6.445 1019 HG3 LYS 120 3HG LYS 120 -11.366 3.138 -7.633 1020 HD2 LYS 120 2HD LYS 120 -13.544 3.042 -8.689 1021 HD3 LYS 120 3HD LYS 120 -12.927 1.396 -8.524 1022 HE2 LYS 120 2HE LYS 120 -15.294 1.449 -7.967 1023 HE3 LYS 120 3HE LYS 120 -14.373 1.103 -6.505 1024 HZ1 LYS 120 1HZ LYS 120 -15.532 3.727 -7.279 1025 HZ2 LYS 120 2HZ LYS 120 -14.599 3.463 -5.900 1026 HZ3 LYS 120 3HZ LYS 120 -16.095 2.703 -6.065 1027 H GLU 121 H GLU 121 -11.499 1.799 -2.892 1028 HA GLU 121 HA GLU 121 -12.608 4.246 -2.202 1029 HB2 GLU 121 2HB GLU 121 -11.447 2.067 -0.436 1030 HB3 GLU 121 3HB GLU 121 -12.240 3.485 0.246 1031 HG2 GLU 121 2HG GLU 121 -14.326 2.889 -0.915 1032 HG3 GLU 121 3HG GLU 121 -13.539 1.483 -1.625 1033 H LEU 122 H LEU 122 -9.264 3.192 -1.862 1034 HA LEU 122 HA LEU 122 -8.359 5.364 -0.247 1035 HB2 LEU 122 2HB LEU 122 -6.737 3.585 -2.112 1036 HB3 LEU 122 3HB LEU 122 -6.094 4.599 -0.825 1037 HG LEU 122 HG LEU 122 -7.780 2.093 -0.525 1038 HD11 LEU 122 1HD1 LEU 122 -5.798 1.254 0.679 1039 HD12 LEU 122 2HD1 LEU 122 -4.942 2.746 0.279 1040 HD13 LEU 122 3HD1 LEU 122 -5.469 1.655 -1.005 1041 HD21 LEU 122 1HD2 LEU 122 -7.590 2.395 1.928 1042 HD22 LEU 122 2HD2 LEU 122 -8.567 3.646 1.166 1043 HD23 LEU 122 3HD2 LEU 122 -6.914 4.005 1.672 1044 H LEU 123 H LEU 123 -8.114 4.623 -3.739 1045 HA LEU 123 HA LEU 123 -6.665 6.890 -4.520 1046 HB2 LEU 123 2HB LEU 123 -8.429 4.951 -6.029 1047 HB3 LEU 123 3HB LEU 123 -7.805 6.368 -6.854 1048 HG LEU 123 HG LEU 123 -6.387 4.445 -7.333 1049 HD11 LEU 123 1HD1 LEU 123 -5.290 6.633 -7.235 1050 HD12 LEU 123 2HD1 LEU 123 -4.194 5.342 -6.753 1051 HD13 LEU 123 3HD1 LEU 123 -4.915 6.386 -5.524 1052 HD21 LEU 123 1HD2 LEU 123 -5.084 3.266 -5.627 1053 HD22 LEU 123 2HD2 LEU 123 -6.813 3.091 -5.337 1054 HD23 LEU 123 3HD2 LEU 123 -5.866 4.209 -4.353 1055 H GLU 124 H GLU 124 -10.128 6.470 -4.093 1056 HA GLU 124 HA GLU 124 -11.037 8.901 -5.245 1057 HB2 GLU 124 2HB GLU 124 -12.257 7.172 -3.044 1058 HB3 GLU 124 3HB GLU 124 -13.108 8.461 -3.896 1059 HG2 GLU 124 2HG GLU 124 -12.955 7.261 -6.002 1060 HG3 GLU 124 3HG GLU 124 -11.937 6.022 -5.276 1061 H LYS 125 H LYS 125 -10.059 8.014 -1.942 1062 HA LYS 125 HA LYS 125 -10.397 10.606 -0.743 1063 HB2 LYS 125 2HB LYS 125 -8.712 8.231 0.155 1064 HB3 LYS 125 3HB LYS 125 -9.087 9.636 1.152 1065 HG2 LYS 125 2HG LYS 125 -11.433 9.054 1.214 1066 HG3 LYS 125 3HG LYS 125 -11.191 7.766 0.027 1067 HD2 LYS 125 2HD LYS 125 -9.745 6.554 1.643 1068 HD3 LYS 125 3HD LYS 125 -10.008 7.831 2.837 1069 HE2 LYS 125 2HE LYS 125 -11.452 5.840 3.223 1070 HE3 LYS 125 3HE LYS 125 -12.391 7.305 2.923 1071 HZ1 LYS 125 1HZ LYS 125 -12.843 6.613 0.718 1072 HZ2 LYS 125 2HZ LYS 125 -13.177 5.294 1.716 1073 HZ3 LYS 125 3HZ LYS 125 -11.757 5.326 0.808 1074 H VAL 126 H VAL 126 -7.849 9.099 -2.573 1075 HA VAL 126 HA VAL 126 -5.705 10.833 -1.725 1076 HB VAL 126 HB VAL 126 -5.945 8.875 -4.064 1077 HG11 VAL 126 1HG1 VAL 126 -3.509 9.095 -4.364 1078 HG12 VAL 126 2HG1 VAL 126 -3.471 10.379 -3.156 1079 HG13 VAL 126 3HG1 VAL 126 -4.335 10.624 -4.675 1080 HG21 VAL 126 1HG2 VAL 126 -4.412 8.651 -1.444 1081 HG22 VAL 126 2HG2 VAL 126 -4.425 7.447 -2.735 1082 HG23 VAL 126 3HG2 VAL 126 -5.902 7.800 -1.843 1083 H LEU 127 H LEU 127 -8.005 10.710 -4.422 1084 HA LEU 127 HA LEU 127 -6.953 13.017 -5.809 1085 HB2 LEU 127 2HB LEU 127 -9.607 11.547 -6.104 1086 HB3 LEU 127 3HB LEU 127 -9.041 12.809 -7.191 1087 HG LEU 127 HG LEU 127 -7.690 10.112 -6.782 1088 HD11 LEU 127 1HD1 LEU 127 -9.307 11.087 -9.154 1089 HD12 LEU 127 2HD1 LEU 127 -9.805 9.864 -7.982 1090 HD13 LEU 127 3HD1 LEU 127 -8.433 9.554 -9.043 1091 HD21 LEU 127 1HD2 LEU 127 -6.990 12.349 -8.702 1092 HD22 LEU 127 2HD2 LEU 127 -6.260 10.742 -8.679 1093 HD23 LEU 127 3HD2 LEU 127 -6.047 11.819 -7.307 1094 H GLU 128 H GLU 128 -9.421 12.409 -3.381 1095 HA GLU 128 HA GLU 128 -10.630 15.042 -3.504 1096 HB2 GLU 128 2HB GLU 128 -11.673 12.706 -2.792 1097 HB3 GLU 128 3HB GLU 128 -10.983 13.062 -1.221 1098 HG2 GLU 128 2HG GLU 128 -13.026 14.748 -2.693 1099 HG3 GLU 128 3HG GLU 128 -13.368 13.642 -1.368 1100 H HIS 129 H HIS 129 -8.960 13.305 -0.882 1101 HA HIS 129 HA HIS 129 -7.893 13.929 0.975 1102 HB2 HIS 129 2HB HIS 129 -5.648 14.817 0.622 1103 HB3 HIS 129 3HB HIS 129 -6.068 13.651 -0.624 1104 HD1 HIS 129 HD1 HIS 129 -5.251 17.255 -0.098 1105 HD2 HIS 129 HD2 HIS 129 -6.185 14.721 -3.255 1106 HE1 HIS 129 HE1 HIS 129 -4.698 18.530 -2.184 1107 HE2 HIS 129 HE2 HIS 129 -5.152 16.930 -4.062 1108 H HIS 130 H HIS 130 -9.973 15.262 1.323 1109 HA HIS 130 HA HIS 130 -8.981 17.655 2.756 1110 HB2 HIS 130 2HB HIS 130 -11.645 17.435 1.273 1111 HB3 HIS 130 3HB HIS 130 -11.283 18.697 2.446 1112 HD1 HIS 130 HD1 HIS 130 -10.692 17.671 -1.075 1113 HD2 HIS 130 HD2 HIS 130 -9.484 20.687 1.516 1114 HE1 HIS 130 HE1 HIS 130 -9.635 19.429 -2.524 1115 HE2 HIS 130 HE2 HIS 130 -9.156 21.329 -0.958 1116 H HIS 131 H HIS 131 -9.779 17.849 4.825 1117 HA HIS 131 HA HIS 131 -10.859 15.507 6.076 1118 HB2 HIS 131 2HB HIS 131 -10.124 18.277 7.089 1119 HB3 HIS 131 3HB HIS 131 -10.970 17.139 8.132 1120 HD1 HIS 131 HD1 HIS 131 -9.470 15.773 9.537 1121 HD2 HIS 131 HD2 HIS 131 -7.580 16.982 6.039 1122 HE1 HIS 131 HE1 HIS 131 -7.104 14.958 9.732 1123 HE2 HIS 131 HE2 HIS 131 -5.937 15.914 7.721 1124 H HIS 132 H HIS 132 -12.855 15.172 5.037 1125 HA HIS 132 HA HIS 132 -15.092 16.984 5.623 1126 HB2 HIS 132 2HB HIS 132 -14.969 14.270 4.219 1127 HB3 HIS 132 3HB HIS 132 -16.477 15.120 4.543 1128 HD1 HIS 132 HD1 HIS 132 -17.283 16.304 2.518 1129 HD2 HIS 132 HD2 HIS 132 -13.135 16.253 2.695 1130 HE1 HIS 132 HE1 HIS 132 -16.506 17.471 0.442 1131 HE2 HIS 132 HE2 HIS 132 -14.003 17.239 0.479 1132 H HIS 133 H HIS 133 -16.853 16.320 6.977 1133 HA HIS 133 HA HIS 133 -16.082 14.755 9.297 1134 HB2 HIS 133 2HB HIS 133 -18.653 16.237 8.600 1135 HB3 HIS 133 3HB HIS 133 -18.389 15.398 10.129 1136 HD1 HIS 133 HD1 HIS 133 -18.382 18.681 9.016 1137 HD2 HIS 133 HD2 HIS 133 -15.620 16.452 11.179 1138 HE1 HIS 133 HE1 HIS 133 -16.940 20.360 10.207 1139 HE2 HIS 133 HE2 HIS 133 -15.244 18.987 11.451 1140 H HIS 134 H HIS 134 -17.449 13.962 6.317 1141 HA HIS 134 HA HIS 134 -18.218 11.287 7.327 1142 HB2 HIS 134 2HB HIS 134 -20.034 12.300 6.024 1143 HB3 HIS 134 3HB HIS 134 -18.931 12.699 4.709 1144 HD1 HIS 134 HD1 HIS 134 -20.568 9.714 6.364 1145 HD2 HIS 134 HD2 HIS 134 -18.622 10.674 2.825 1146 HE1 HIS 134 HE1 HIS 134 -20.759 7.682 4.915 1147 HE2 HIS 134 HE2 HIS 134 -19.501 8.254 2.828 Start of MODEL 10 1 H1 MET 1 1H MET 1 -1.570 16.834 1.129 2 H2 MET 1 2H MET 1 -0.772 15.872 2.268 3 H3 MET 1 3H MET 1 -1.550 15.151 0.955 4 HA MET 1 HA MET 1 -0.016 16.119 -0.581 5 HB2 MET 1 2HB MET 1 0.424 18.214 0.620 6 HB3 MET 1 3HB MET 1 1.221 17.342 1.925 7 HG2 MET 1 2HG MET 1 2.834 18.474 0.453 8 HG3 MET 1 3HG MET 1 3.049 16.719 0.414 9 HE1 MET 1 1HE MET 1 4.257 18.775 -1.800 10 HE2 MET 1 2HE MET 1 3.948 17.846 -3.268 11 HE3 MET 1 3HE MET 1 4.537 17.034 -1.817 12 H GLY 2 H GLY 2 1.086 14.388 -1.246 13 HA2 GLY 2 2HA GLY 2 2.549 12.622 -1.325 14 HA3 GLY 2 3HA GLY 2 3.108 13.048 0.286 15 H THR 3 H THR 3 1.087 10.936 -1.558 16 HA THR 3 HA THR 3 -0.000 9.675 0.898 17 HB THR 3 HB THR 3 -1.206 9.703 -1.912 18 HG1 THR 3 HG1 THR 3 -2.802 10.836 -0.105 19 HG21 THR 3 1HG2 THR 3 -3.184 8.699 -0.859 20 HG22 THR 3 2HG2 THR 3 -2.352 8.633 0.693 21 HG23 THR 3 3HG2 THR 3 -1.783 7.646 -0.657 22 H VAL 4 H VAL 4 1.019 7.803 1.300 23 HA VAL 4 HA VAL 4 2.112 6.133 -0.887 24 HB VAL 4 HB VAL 4 2.696 5.936 2.116 25 HG11 VAL 4 1HG1 VAL 4 4.606 4.520 1.433 26 HG12 VAL 4 2HG1 VAL 4 4.101 4.638 -0.255 27 HG13 VAL 4 3HG1 VAL 4 3.070 3.815 0.920 28 HG21 VAL 4 1HG2 VAL 4 3.507 8.080 1.250 29 HG22 VAL 4 2HG2 VAL 4 4.363 7.257 -0.055 30 HG23 VAL 4 3HG2 VAL 4 4.862 7.011 1.620 31 H VAL 5 H VAL 5 1.318 4.118 -1.220 32 HA VAL 5 HA VAL 5 -0.695 2.956 0.620 33 HB VAL 5 HB VAL 5 -0.687 2.840 -2.450 34 HG11 VAL 5 1HG1 VAL 5 -1.423 0.696 -1.511 35 HG12 VAL 5 2HG1 VAL 5 -2.782 1.542 -2.249 36 HG13 VAL 5 3HG1 VAL 5 -2.608 1.522 -0.492 37 HG21 VAL 5 1HG2 VAL 5 -1.508 5.006 -1.580 38 HG22 VAL 5 2HG2 VAL 5 -2.694 4.168 -0.578 39 HG23 VAL 5 3HG2 VAL 5 -2.812 4.088 -2.338 40 H ILE 6 H ILE 6 0.126 1.123 1.470 41 HA ILE 6 HA ILE 6 2.201 -0.420 0.035 42 HB ILE 6 HB ILE 6 1.397 -0.527 2.987 43 HG12 ILE 6 2HG1 ILE 6 2.446 1.628 2.525 44 HG13 ILE 6 3HG1 ILE 6 3.604 0.625 3.392 45 HG21 ILE 6 1HG2 ILE 6 2.322 -2.669 2.232 46 HG22 ILE 6 2HG2 ILE 6 3.467 -1.853 3.293 47 HG23 ILE 6 3HG2 ILE 6 3.732 -1.851 1.548 48 HD11 ILE 6 1HD1 ILE 6 3.603 1.193 0.420 49 HD12 ILE 6 2HD1 ILE 6 4.751 0.143 1.254 50 HD13 ILE 6 3HD1 ILE 6 4.701 1.864 1.624 51 H VAL 7 H VAL 7 1.195 -1.846 -1.223 52 HA VAL 7 HA VAL 7 -1.090 -3.449 -0.284 53 HB VAL 7 HB VAL 7 0.210 -3.265 -3.057 54 HG11 VAL 7 1HG1 VAL 7 -0.753 -5.495 -2.720 55 HG12 VAL 7 2HG1 VAL 7 -1.724 -4.581 -3.873 56 HG13 VAL 7 3HG1 VAL 7 -2.290 -4.784 -2.214 57 HG21 VAL 7 1HG2 VAL 7 -2.432 -2.125 -2.064 58 HG22 VAL 7 2HG2 VAL 7 -1.846 -2.065 -3.729 59 HG23 VAL 7 3HG2 VAL 7 -0.978 -1.203 -2.459 60 H VAL 8 H VAL 8 -0.510 -5.250 0.797 61 HA VAL 8 HA VAL 8 1.924 -6.752 0.010 62 HB VAL 8 HB VAL 8 0.390 -6.840 2.651 63 HG11 VAL 8 1HG1 VAL 8 2.274 -8.196 3.504 64 HG12 VAL 8 2HG1 VAL 8 3.001 -8.196 1.895 65 HG13 VAL 8 3HG1 VAL 8 1.450 -8.994 2.163 66 HG21 VAL 8 1HG2 VAL 8 3.079 -5.545 2.069 67 HG22 VAL 8 2HG2 VAL 8 2.297 -5.637 3.649 68 HG23 VAL 8 3HG2 VAL 8 1.564 -4.686 2.357 69 H SER 9 H SER 9 1.235 -8.149 -1.488 70 HA SER 9 HA SER 9 -0.728 -10.192 -0.776 71 HB2 SER 9 2HB SER 9 -0.876 -8.627 -3.404 72 HB3 SER 9 3HB SER 9 -1.857 -10.033 -2.995 73 HG SER 9 HG SER 9 -2.383 -8.547 -1.053 74 H ARG 10 H ARG 10 0.104 -12.152 -1.296 75 HA ARG 10 HA ARG 10 2.703 -12.315 -2.627 76 HB2 ARG 10 2HB ARG 10 1.688 -14.985 -2.028 77 HB3 ARG 10 3HB ARG 10 3.056 -14.158 -1.324 78 HG2 ARG 10 2HG ARG 10 0.222 -13.850 -0.313 79 HG3 ARG 10 3HG ARG 10 1.349 -15.057 0.296 80 HD2 ARG 10 2HD ARG 10 2.879 -13.218 0.999 81 HD3 ARG 10 3HD ARG 10 1.674 -12.045 0.448 82 HE ARG 10 HE ARG 10 0.434 -13.817 2.206 83 HH11 ARG 10 1HH1 ARG 10 2.926 -11.346 2.432 84 HH12 ARG 10 2HH1 ARG 10 2.558 -10.967 4.078 85 HH21 ARG 10 1HH2 ARG 10 -0.077 -13.293 4.298 86 HH22 ARG 10 2HH2 ARG 10 0.841 -12.081 5.141 87 H ASP 11 H ASP 11 -0.628 -12.830 -3.285 88 HA ASP 11 HA ASP 11 -0.411 -14.701 -5.438 89 HB2 ASP 11 2HB ASP 11 -2.430 -14.479 -3.970 90 HB3 ASP 11 3HB ASP 11 -2.748 -12.890 -4.656 91 H GLU 12 H GLU 12 -0.053 -14.301 -7.512 92 HA GLU 12 HA GLU 12 0.970 -11.841 -8.453 93 HB2 GLU 12 2HB GLU 12 0.134 -14.333 -9.997 94 HB3 GLU 12 3HB GLU 12 1.162 -13.056 -10.628 95 HG2 GLU 12 2HG GLU 12 1.870 -14.797 -8.258 96 HG3 GLU 12 3HG GLU 12 2.378 -15.117 -9.916 97 H ARG 13 H ARG 13 -2.096 -13.476 -8.882 98 HA ARG 13 HA ARG 13 -3.117 -12.108 -11.124 99 HB2 ARG 13 2HB ARG 13 -4.736 -13.300 -8.843 100 HB3 ARG 13 3HB ARG 13 -5.262 -13.071 -10.503 101 HG2 ARG 13 2HG ARG 13 -4.170 -14.975 -11.267 102 HG3 ARG 13 3HG ARG 13 -2.930 -14.903 -10.010 103 HD2 ARG 13 2HD ARG 13 -4.558 -16.816 -9.768 104 HD3 ARG 13 3HD ARG 13 -4.441 -15.776 -8.349 105 HE ARG 13 HE ARG 13 -6.719 -16.005 -10.202 106 HH11 ARG 13 1HH1 ARG 13 -5.425 -14.558 -7.252 107 HH12 ARG 13 2HH1 ARG 13 -6.982 -14.020 -6.704 108 HH21 ARG 13 1HH2 ARG 13 -8.723 -15.200 -9.498 109 HH22 ARG 13 2HH2 ARG 13 -8.840 -14.383 -7.972 110 H ILE 14 H ILE 14 -3.491 -11.565 -7.618 111 HA ILE 14 HA ILE 14 -5.420 -9.463 -7.802 112 HB ILE 14 HB ILE 14 -3.630 -10.122 -5.403 113 HG12 ILE 14 2HG1 ILE 14 -6.392 -11.246 -6.103 114 HG13 ILE 14 3HG1 ILE 14 -4.885 -12.138 -6.187 115 HG21 ILE 14 1HG2 ILE 14 -4.773 -7.938 -5.215 116 HG22 ILE 14 2HG2 ILE 14 -5.441 -9.087 -4.058 117 HG23 ILE 14 3HG2 ILE 14 -6.331 -8.709 -5.537 118 HD11 ILE 14 1HD1 ILE 14 -4.636 -11.964 -3.766 119 HD12 ILE 14 2HD1 ILE 14 -6.156 -12.733 -4.221 120 HD13 ILE 14 3HD1 ILE 14 -6.147 -11.057 -3.677 121 H LEU 15 H LEU 15 -1.868 -9.540 -7.498 122 HA LEU 15 HA LEU 15 -1.326 -6.858 -6.910 123 HB2 LEU 15 2HB LEU 15 0.311 -8.825 -8.562 124 HB3 LEU 15 3HB LEU 15 0.920 -7.265 -8.033 125 HG LEU 15 HG LEU 15 0.067 -9.509 -6.155 126 HD11 LEU 15 1HD1 LEU 15 2.082 -10.140 -7.400 127 HD12 LEU 15 2HD1 LEU 15 2.461 -9.840 -5.707 128 HD13 LEU 15 3HD1 LEU 15 2.873 -8.632 -6.928 129 HD21 LEU 15 1HD2 LEU 15 1.454 -6.876 -5.530 130 HD22 LEU 15 2HD2 LEU 15 1.093 -8.160 -4.374 131 HD23 LEU 15 3HD2 LEU 15 -0.220 -7.280 -5.147 132 H GLU 16 H GLU 16 -1.603 -8.391 -10.145 133 HA GLU 16 HA GLU 16 -1.196 -5.937 -11.584 134 HB2 GLU 16 2HB GLU 16 -1.751 -7.225 -13.614 135 HB3 GLU 16 3HB GLU 16 -0.558 -8.056 -12.622 136 HG2 GLU 16 2HG GLU 16 -2.239 -9.614 -11.809 137 HG3 GLU 16 3HG GLU 16 -3.513 -8.724 -12.643 138 H GLU 17 H GLU 17 -4.067 -7.623 -10.395 139 HA GLU 17 HA GLU 17 -6.012 -6.145 -11.832 140 HB2 GLU 17 2HB GLU 17 -6.157 -7.520 -9.122 141 HB3 GLU 17 3HB GLU 17 -7.547 -6.738 -9.866 142 HG2 GLU 17 2HG GLU 17 -5.987 -9.030 -11.078 143 HG3 GLU 17 3HG GLU 17 -7.516 -9.180 -10.216 144 H LEU 18 H LEU 18 -4.609 -5.618 -8.580 145 HA LEU 18 HA LEU 18 -6.035 -3.239 -7.987 146 HB2 LEU 18 2HB LEU 18 -3.408 -4.225 -6.799 147 HB3 LEU 18 3HB LEU 18 -4.434 -2.978 -6.111 148 HG LEU 18 HG LEU 18 -5.080 -5.939 -6.349 149 HD11 LEU 18 1HD1 LEU 18 -5.161 -5.907 -3.899 150 HD12 LEU 18 2HD1 LEU 18 -4.716 -4.199 -3.894 151 HD13 LEU 18 3HD1 LEU 18 -3.579 -5.406 -4.496 152 HD21 LEU 18 1HD2 LEU 18 -7.111 -4.662 -6.827 153 HD22 LEU 18 2HD2 LEU 18 -6.901 -3.739 -5.338 154 HD23 LEU 18 3HD2 LEU 18 -7.226 -5.472 -5.266 155 H LEU 19 H LEU 19 -3.003 -3.881 -9.608 156 HA LEU 19 HA LEU 19 -1.982 -1.288 -9.926 157 HB2 LEU 19 2HB LEU 19 -0.689 -3.254 -10.560 158 HB3 LEU 19 3HB LEU 19 -1.884 -3.709 -11.761 159 HG LEU 19 HG LEU 19 -1.282 -1.661 -13.090 160 HD11 LEU 19 1HD1 LEU 19 0.796 -0.438 -12.577 161 HD12 LEU 19 2HD1 LEU 19 0.930 -1.305 -11.046 162 HD13 LEU 19 3HD1 LEU 19 -0.430 -0.218 -11.331 163 HD21 LEU 19 1HD2 LEU 19 -0.312 -3.831 -13.655 164 HD22 LEU 19 2HD2 LEU 19 1.021 -3.556 -12.531 165 HD23 LEU 19 3HD2 LEU 19 0.843 -2.534 -13.960 166 H GLU 20 H GLU 20 -4.231 -3.133 -11.975 167 HA GLU 20 HA GLU 20 -4.695 -1.033 -13.854 168 HB2 GLU 20 2HB GLU 20 -6.105 -3.674 -13.348 169 HB3 GLU 20 3HB GLU 20 -6.558 -2.579 -14.652 170 HG2 GLU 20 2HG GLU 20 -4.305 -2.782 -15.629 171 HG3 GLU 20 3HG GLU 20 -3.825 -3.844 -14.306 172 H VAL 21 H VAL 21 -6.222 -1.913 -10.825 173 HA VAL 21 HA VAL 21 -8.609 -0.400 -11.055 174 HB VAL 21 HB VAL 21 -6.967 -1.125 -8.570 175 HG11 VAL 21 1HG1 VAL 21 -9.783 0.020 -8.661 176 HG12 VAL 21 2HG1 VAL 21 -8.345 0.819 -8.020 177 HG13 VAL 21 3HG1 VAL 21 -8.982 -0.615 -7.219 178 HG21 VAL 21 1HG2 VAL 21 -8.675 -2.871 -8.193 179 HG22 VAL 21 2HG2 VAL 21 -7.874 -3.084 -9.745 180 HG23 VAL 21 3HG2 VAL 21 -9.494 -2.401 -9.685 181 H VAL 22 H VAL 22 -5.323 0.418 -9.916 182 HA VAL 22 HA VAL 22 -5.757 3.171 -9.369 183 HB VAL 22 HB VAL 22 -3.175 1.756 -10.204 184 HG11 VAL 22 1HG1 VAL 22 -3.490 4.513 -8.955 185 HG12 VAL 22 2HG1 VAL 22 -2.967 4.172 -10.606 186 HG13 VAL 22 3HG1 VAL 22 -1.957 3.684 -9.245 187 HG21 VAL 22 1HG2 VAL 22 -4.131 0.852 -8.122 188 HG22 VAL 22 2HG2 VAL 22 -4.185 2.473 -7.426 189 HG23 VAL 22 3HG2 VAL 22 -2.629 1.722 -7.797 190 H LEU 23 H LEU 23 -4.768 1.429 -12.309 191 HA LEU 23 HA LEU 23 -4.059 3.662 -13.880 192 HB2 LEU 23 2HB LEU 23 -4.879 0.849 -14.683 193 HB3 LEU 23 3HB LEU 23 -4.286 2.041 -15.829 194 HG LEU 23 HG LEU 23 -2.706 0.879 -13.498 195 HD11 LEU 23 1HD1 LEU 23 -1.321 -0.194 -15.219 196 HD12 LEU 23 2HD1 LEU 23 -2.359 0.462 -16.488 197 HD13 LEU 23 3HD1 LEU 23 -3.000 -0.718 -15.342 198 HD21 LEU 23 1HD2 LEU 23 -2.069 3.214 -13.844 199 HD22 LEU 23 2HD2 LEU 23 -1.839 2.928 -15.571 200 HD23 LEU 23 3HD2 LEU 23 -0.783 2.145 -14.396 201 H LYS 24 H LYS 24 -7.181 2.009 -13.504 202 HA LYS 24 HA LYS 24 -8.434 3.563 -15.632 203 HB2 LYS 24 2HB LYS 24 -10.454 2.217 -15.161 204 HB3 LYS 24 3HB LYS 24 -9.045 1.207 -15.407 205 HG2 LYS 24 2HG LYS 24 -9.939 0.101 -13.605 206 HG3 LYS 24 3HG LYS 24 -8.952 1.273 -12.737 207 HD2 LYS 24 2HD LYS 24 -11.139 1.156 -11.692 208 HD3 LYS 24 3HD LYS 24 -10.977 2.727 -12.479 209 HE2 LYS 24 2HE LYS 24 -12.299 1.879 -14.405 210 HE3 LYS 24 3HE LYS 24 -12.487 0.327 -13.583 211 HZ1 LYS 24 1HZ LYS 24 -13.478 2.948 -12.590 212 HZ2 LYS 24 2HZ LYS 24 -13.650 1.470 -11.788 213 HZ3 LYS 24 3HZ LYS 24 -14.424 1.721 -13.267 214 H SER 25 H SER 25 -7.921 3.898 -12.234 215 HA SER 25 HA SER 25 -10.104 5.843 -11.887 216 HB2 SER 25 2HB SER 25 -9.770 4.125 -10.108 217 HB3 SER 25 3HB SER 25 -8.140 4.735 -9.821 218 HG SER 25 HG SER 25 -8.995 6.627 -9.037 219 H ASP 26 H ASP 26 -6.683 5.840 -10.749 220 HA ASP 26 HA ASP 26 -6.257 8.540 -11.885 221 HB2 ASP 26 2HB ASP 26 -5.642 7.707 -9.014 222 HB3 ASP 26 3HB ASP 26 -5.065 9.191 -9.756 223 HA PRO 27 HA PRO 27 -2.691 5.699 -12.972 224 HB2 PRO 27 2HB PRO 27 -2.361 6.521 -15.554 225 HB3 PRO 27 3HB PRO 27 -3.643 5.390 -15.077 226 HG2 PRO 27 2HG PRO 27 -3.836 8.346 -15.552 227 HG3 PRO 27 3HG PRO 27 -4.913 7.046 -16.112 228 HD2 PRO 27 2HD PRO 27 -5.490 8.582 -13.930 229 HD3 PRO 27 3HD PRO 27 -6.008 6.886 -14.071 230 H ASN 28 H ASN 28 -2.906 9.042 -12.492 231 HA ASN 28 HA ASN 28 -0.231 9.854 -13.142 232 HB2 ASN 28 2HB ASN 28 -2.211 11.037 -11.141 233 HB3 ASN 28 3HB ASN 28 -0.678 11.787 -11.585 234 HD21 ASN 28 1HD2 ASN 28 -0.457 12.717 -13.646 235 HD22 ASN 28 2HD2 ASN 28 -1.820 13.032 -14.662 236 H VAL 29 H VAL 29 -1.634 8.097 -10.536 237 HA VAL 29 HA VAL 29 0.281 8.508 -8.484 238 HB VAL 29 HB VAL 29 -1.566 6.129 -9.020 239 HG11 VAL 29 1HG1 VAL 29 -1.305 5.560 -6.632 240 HG12 VAL 29 2HG1 VAL 29 -0.120 6.855 -6.452 241 HG13 VAL 29 3HG1 VAL 29 0.237 5.474 -7.488 242 HG21 VAL 29 1HG2 VAL 29 -3.075 7.170 -7.361 243 HG22 VAL 29 2HG2 VAL 29 -2.817 8.224 -8.751 244 HG23 VAL 29 3HG2 VAL 29 -1.982 8.549 -7.230 245 H LYS 30 H LYS 30 2.330 7.768 -8.363 246 HA LYS 30 HA LYS 30 3.585 6.143 -10.337 247 HB2 LYS 30 2HB LYS 30 4.872 7.773 -9.026 248 HB3 LYS 30 3HB LYS 30 4.496 6.928 -7.530 249 HG2 LYS 30 2HG LYS 30 6.788 6.459 -8.217 250 HG3 LYS 30 3HG LYS 30 5.817 4.986 -8.293 251 HD2 LYS 30 2HD LYS 30 5.555 5.378 -10.778 252 HD3 LYS 30 3HD LYS 30 6.690 6.725 -10.631 253 HE2 LYS 30 2HE LYS 30 7.270 3.817 -9.990 254 HE3 LYS 30 3HE LYS 30 7.825 4.698 -11.413 255 HZ1 LYS 30 1HZ LYS 30 9.050 6.189 -9.921 256 HZ2 LYS 30 2HZ LYS 30 9.570 4.589 -9.805 257 HZ3 LYS 30 3HZ LYS 30 8.585 5.243 -8.600 258 H THR 31 H THR 31 3.840 3.942 -10.415 259 HA THR 31 HA THR 31 3.033 2.327 -8.060 260 HB THR 31 HB THR 31 2.199 0.593 -9.665 261 HG1 THR 31 HG1 THR 31 3.286 1.145 -11.536 262 HG21 THR 31 1HG2 THR 31 0.084 1.693 -10.296 263 HG22 THR 31 2HG2 THR 31 0.799 3.278 -9.994 264 HG23 THR 31 3HG2 THR 31 0.556 2.150 -8.658 265 H VAL 32 H VAL 32 4.403 0.789 -7.478 266 HA VAL 32 HA VAL 32 6.707 -0.011 -9.157 267 HB VAL 32 HB VAL 32 6.909 0.795 -6.200 268 HG11 VAL 32 1HG1 VAL 32 8.462 -1.024 -6.794 269 HG12 VAL 32 2HG1 VAL 32 9.330 0.463 -6.421 270 HG13 VAL 32 3HG1 VAL 32 9.129 -0.040 -8.101 271 HG21 VAL 32 1HG2 VAL 32 7.998 2.296 -8.610 272 HG22 VAL 32 2HG2 VAL 32 8.263 2.721 -6.919 273 HG23 VAL 32 3HG2 VAL 32 6.640 2.798 -7.599 274 H ARG 33 H ARG 33 7.257 -2.187 -8.838 275 HA ARG 33 HA ARG 33 5.878 -3.696 -6.693 276 HB2 ARG 33 2HB ARG 33 4.827 -4.114 -8.909 277 HB3 ARG 33 3HB ARG 33 6.389 -4.604 -9.559 278 HG2 ARG 33 2HG ARG 33 6.443 -6.537 -8.047 279 HG3 ARG 33 3HG ARG 33 4.919 -6.029 -7.315 280 HD2 ARG 33 2HD ARG 33 3.742 -6.382 -9.429 281 HD3 ARG 33 3HD ARG 33 5.266 -6.776 -10.238 282 HE ARG 33 HE ARG 33 4.497 -8.433 -7.960 283 HH11 ARG 33 1HH1 ARG 33 4.646 -8.103 -11.459 284 HH12 ARG 33 2HH1 ARG 33 4.445 -9.800 -11.743 285 HH21 ARG 33 1HH2 ARG 33 4.203 -10.631 -8.344 286 HH22 ARG 33 2HH2 ARG 33 4.194 -11.233 -9.965 287 H THR 34 H THR 34 7.736 -3.420 -5.437 288 HA THR 34 HA THR 34 9.931 -5.296 -6.079 289 HB THR 34 HB THR 34 10.868 -3.044 -6.194 290 HG1 THR 34 HG1 THR 34 12.443 -4.186 -5.318 291 HG21 THR 34 1HG2 THR 34 9.248 -1.804 -4.815 292 HG22 THR 34 2HG2 THR 34 10.896 -1.518 -4.253 293 HG23 THR 34 3HG2 THR 34 9.841 -2.618 -3.365 294 H ASP 35 H ASP 35 10.676 -6.585 -4.353 295 HA ASP 35 HA ASP 35 8.983 -6.756 -1.942 296 HB2 ASP 35 2HB ASP 35 10.093 -8.956 -1.564 297 HB3 ASP 35 3HB ASP 35 9.324 -8.866 -3.143 298 H ASP 36 H ASP 36 12.015 -5.528 -2.963 299 HA ASP 36 HA ASP 36 13.468 -5.703 -0.482 300 HB2 ASP 36 2HB ASP 36 13.889 -3.778 -2.809 301 HB3 ASP 36 3HB ASP 36 15.044 -4.121 -1.523 302 H LYS 37 H LYS 37 12.707 -4.675 1.271 303 HA LYS 37 HA LYS 37 10.719 -2.684 1.227 304 HB2 LYS 37 2HB LYS 37 10.927 -2.625 3.673 305 HB3 LYS 37 3HB LYS 37 10.883 -4.271 3.064 306 HG2 LYS 37 2HG LYS 37 13.353 -4.423 3.370 307 HG3 LYS 37 3HG LYS 37 13.340 -2.793 4.058 308 HD2 LYS 37 2HD LYS 37 11.832 -3.559 5.868 309 HD3 LYS 37 3HD LYS 37 11.811 -5.182 5.171 310 HE2 LYS 37 2HE LYS 37 14.227 -5.403 5.602 311 HE3 LYS 37 3HE LYS 37 14.255 -3.769 6.278 312 HZ1 LYS 37 1HZ LYS 37 12.770 -6.104 7.349 313 HZ2 LYS 37 2HZ LYS 37 12.646 -4.538 7.961 314 HZ3 LYS 37 3HZ LYS 37 14.121 -5.360 8.042 315 H GLU 38 H GLU 38 14.190 -2.425 1.302 316 HA GLU 38 HA GLU 38 14.313 0.352 2.081 317 HB2 GLU 38 2HB GLU 38 16.376 -1.421 0.704 318 HB3 GLU 38 3HB GLU 38 16.693 0.206 1.303 319 HG2 GLU 38 2HG GLU 38 16.252 -0.500 3.596 320 HG3 GLU 38 3HG GLU 38 15.812 -2.117 3.040 321 H LYS 39 H LYS 39 14.411 -1.430 -1.002 322 HA LYS 39 HA LYS 39 14.662 0.739 -2.771 323 HB2 LYS 39 2HB LYS 39 15.015 -1.541 -3.538 324 HB3 LYS 39 3HB LYS 39 13.367 -1.992 -3.135 325 HG2 LYS 39 2HG LYS 39 13.677 -1.778 -5.558 326 HG3 LYS 39 3HG LYS 39 12.506 -0.603 -4.961 327 HD2 LYS 39 2HD LYS 39 14.233 1.164 -5.055 328 HD3 LYS 39 3HD LYS 39 15.416 -0.013 -5.634 329 HE2 LYS 39 2HE LYS 39 14.136 -0.349 -7.684 330 HE3 LYS 39 3HE LYS 39 12.847 0.704 -7.089 331 HZ1 LYS 39 1HZ LYS 39 14.402 2.550 -7.093 332 HZ2 LYS 39 2HZ LYS 39 14.292 1.857 -8.632 333 HZ3 LYS 39 3HZ LYS 39 15.639 1.544 -7.659 334 H VAL 40 H VAL 40 11.797 -0.726 -1.268 335 HA VAL 40 HA VAL 40 9.742 0.706 -2.471 336 HB VAL 40 HB VAL 40 9.953 -0.127 0.468 337 HG11 VAL 40 1HG1 VAL 40 7.469 -0.040 0.476 338 HG12 VAL 40 2HG1 VAL 40 7.503 0.637 -1.152 339 HG13 VAL 40 3HG1 VAL 40 8.195 1.544 0.191 340 HG21 VAL 40 1HG2 VAL 40 8.676 -1.611 -1.866 341 HG22 VAL 40 2HG2 VAL 40 8.643 -2.126 -0.177 342 HG23 VAL 40 3HG2 VAL 40 10.173 -2.060 -1.050 343 H LYS 41 H LYS 41 11.755 1.574 0.344 344 HA LYS 41 HA LYS 41 10.544 4.060 0.961 345 HB2 LYS 41 2HB LYS 41 13.378 3.128 1.602 346 HB3 LYS 41 3HB LYS 41 12.544 4.478 2.368 347 HG2 LYS 41 2HG LYS 41 10.836 2.889 3.240 348 HG3 LYS 41 3HG LYS 41 11.766 1.559 2.546 349 HD2 LYS 41 2HD LYS 41 13.717 2.238 3.967 350 HD3 LYS 41 3HD LYS 41 12.701 3.482 4.706 351 HE2 LYS 41 2HE LYS 41 11.110 1.613 5.375 352 HE3 LYS 41 3HE LYS 41 12.361 0.479 4.865 353 HZ1 LYS 41 1HZ LYS 41 13.861 1.572 6.487 354 HZ2 LYS 41 2HZ LYS 41 12.529 0.810 7.192 355 HZ3 LYS 41 3HZ LYS 41 12.549 2.493 7.039 356 H GLU 42 H GLU 42 13.304 3.203 -1.082 357 HA GLU 42 HA GLU 42 14.237 5.732 -1.829 358 HB2 GLU 42 2HB GLU 42 14.055 3.198 -3.521 359 HB3 GLU 42 3HB GLU 42 15.017 4.608 -3.940 360 HG2 GLU 42 2HG GLU 42 15.427 2.856 -1.509 361 HG3 GLU 42 3HG GLU 42 16.377 2.792 -2.989 362 H GLU 43 H GLU 43 11.665 3.737 -3.238 363 HA GLU 43 HA GLU 43 10.957 5.598 -5.281 364 HB2 GLU 43 2HB GLU 43 9.424 3.221 -4.153 365 HB3 GLU 43 3HB GLU 43 8.995 4.094 -5.622 366 HG2 GLU 43 2HG GLU 43 11.519 2.489 -5.155 367 HG3 GLU 43 3HG GLU 43 10.168 2.059 -6.198 368 H ILE 44 H ILE 44 9.830 5.087 -1.979 369 HA ILE 44 HA ILE 44 7.419 6.555 -2.021 370 HB ILE 44 HB ILE 44 9.372 5.943 0.247 371 HG12 ILE 44 2HG1 ILE 44 6.575 4.852 -0.334 372 HG13 ILE 44 3HG1 ILE 44 8.085 4.012 -0.655 373 HG21 ILE 44 1HG2 ILE 44 7.668 6.731 1.881 374 HG22 ILE 44 2HG2 ILE 44 6.708 7.371 0.546 375 HG23 ILE 44 3HG2 ILE 44 8.303 8.042 0.883 376 HD11 ILE 44 1HD1 ILE 44 8.550 3.962 1.767 377 HD12 ILE 44 2HD1 ILE 44 7.052 3.139 1.337 378 HD13 ILE 44 3HD1 ILE 44 6.994 4.744 2.065 379 H GLU 45 H GLU 45 10.767 7.544 -1.200 380 HA GLU 45 HA GLU 45 10.045 10.275 -0.751 381 HB2 GLU 45 2HB GLU 45 12.465 10.721 -0.548 382 HB3 GLU 45 3HB GLU 45 11.937 9.377 0.444 383 HG2 GLU 45 2HG GLU 45 13.955 8.607 -0.351 384 HG3 GLU 45 3HG GLU 45 12.837 7.888 -1.507 385 H LYS 46 H LYS 46 11.171 8.475 -3.584 386 HA LYS 46 HA LYS 46 11.716 10.677 -5.290 387 HB2 LYS 46 2HB LYS 46 10.856 7.822 -5.916 388 HB3 LYS 46 3HB LYS 46 11.195 9.000 -7.181 389 HG2 LYS 46 2HG LYS 46 13.520 9.238 -6.321 390 HG3 LYS 46 3HG LYS 46 13.163 8.024 -5.091 391 HD2 LYS 46 2HD LYS 46 14.371 6.986 -6.947 392 HD3 LYS 46 3HD LYS 46 12.727 6.347 -6.879 393 HE2 LYS 46 2HE LYS 46 13.422 6.812 -9.198 394 HE3 LYS 46 3HE LYS 46 12.066 7.839 -8.726 395 HZ1 LYS 46 1HZ LYS 46 14.922 8.652 -8.769 396 HZ2 LYS 46 2HZ LYS 46 13.628 9.640 -8.326 397 HZ3 LYS 46 3HZ LYS 46 13.761 9.085 -9.916 398 H ALA 47 H ALA 47 8.711 8.871 -4.665 399 HA ALA 47 HA ALA 47 7.049 10.346 -6.463 400 HB1 ALA 47 1HB ALA 47 6.410 8.120 -5.631 401 HB2 ALA 47 2HB ALA 47 5.164 9.314 -5.258 402 HB3 ALA 47 3HB ALA 47 6.267 8.760 -3.993 403 H ARG 48 H ARG 48 8.072 10.795 -3.130 404 HA ARG 48 HA ARG 48 6.349 12.984 -2.477 405 HB2 ARG 48 2HB ARG 48 7.348 11.628 -0.711 406 HB3 ARG 48 3HB ARG 48 8.975 12.016 -1.257 407 HG2 ARG 48 2HG ARG 48 8.371 13.240 0.794 408 HG3 ARG 48 3HG ARG 48 8.701 14.335 -0.549 409 HD2 ARG 48 2HD ARG 48 6.203 14.529 -0.904 410 HD3 ARG 48 3HD ARG 48 5.972 13.576 0.562 411 HE ARG 48 HE ARG 48 6.725 15.359 1.860 412 HH11 ARG 48 1HH1 ARG 48 6.888 16.211 -1.555 413 HH12 ARG 48 2HH1 ARG 48 7.071 17.907 -1.247 414 HH21 ARG 48 1HH2 ARG 48 6.968 17.571 2.251 415 HH22 ARG 48 2HH2 ARG 48 7.118 18.681 0.926 416 H LYS 49 H LYS 49 9.545 12.736 -4.017 417 HA LYS 49 HA LYS 49 10.165 15.520 -4.111 418 HB2 LYS 49 2HB LYS 49 11.014 13.301 -6.035 419 HB3 LYS 49 3HB LYS 49 11.699 14.922 -6.012 420 HG2 LYS 49 2HG LYS 49 11.894 12.879 -3.788 421 HG3 LYS 49 3HG LYS 49 13.172 13.296 -4.923 422 HD2 LYS 49 2HD LYS 49 13.313 15.556 -4.002 423 HD3 LYS 49 3HD LYS 49 11.932 15.247 -2.943 424 HE2 LYS 49 2HE LYS 49 13.229 13.529 -1.739 425 HE3 LYS 49 3HE LYS 49 14.603 13.801 -2.816 426 HZ1 LYS 49 1HZ LYS 49 14.790 16.041 -1.999 427 HZ2 LYS 49 2HZ LYS 49 14.818 14.966 -0.691 428 HZ3 LYS 49 3HZ LYS 49 13.421 15.857 -1.019 429 H GLN 50 H GLN 50 8.520 13.306 -6.354 430 HA GLN 50 HA GLN 50 7.771 15.220 -8.328 431 HB2 GLN 50 2HB GLN 50 6.464 12.550 -7.624 432 HB3 GLN 50 3HB GLN 50 6.194 13.459 -9.104 433 HG2 GLN 50 2HG GLN 50 8.755 12.095 -8.252 434 HG3 GLN 50 3HG GLN 50 7.667 11.592 -9.540 435 HE21 GLN 50 1HE2 GLN 50 7.304 14.290 -10.626 436 HE22 GLN 50 2HE2 GLN 50 8.785 14.701 -11.401 437 H GLY 51 H GLY 51 6.514 14.322 -5.225 438 HA2 GLY 51 2HA GLY 51 4.897 15.246 -3.888 439 HA3 GLY 51 3HA GLY 51 4.523 16.398 -5.160 440 H ARG 52 H ARG 52 4.491 13.178 -6.226 441 HA ARG 52 HA ARG 52 1.558 13.179 -6.459 442 HB2 ARG 52 2HB ARG 52 1.856 11.536 -8.220 443 HB3 ARG 52 3HB ARG 52 2.975 12.860 -8.512 444 HG2 ARG 52 2HG ARG 52 4.845 11.530 -7.693 445 HG3 ARG 52 3HG ARG 52 3.754 10.223 -7.223 446 HD2 ARG 52 2HD ARG 52 4.880 9.686 -9.322 447 HD3 ARG 52 3HD ARG 52 3.146 9.879 -9.595 448 HE ARG 52 HE ARG 52 4.739 12.253 -10.080 449 HH11 ARG 52 1HH1 ARG 52 3.365 9.356 -11.551 450 HH12 ARG 52 2HH1 ARG 52 3.462 9.998 -13.160 451 HH21 ARG 52 1HH2 ARG 52 4.890 13.041 -12.185 452 HH22 ARG 52 2HH2 ARG 52 4.327 12.087 -13.516 453 HA PRO 53 HA PRO 53 1.202 9.652 -3.608 454 HB2 PRO 53 2HB PRO 53 -0.833 8.359 -5.355 455 HB3 PRO 53 3HB PRO 53 -1.024 9.057 -3.732 456 HG2 PRO 53 2HG PRO 53 -2.087 10.232 -5.910 457 HG3 PRO 53 3HG PRO 53 -1.477 11.177 -4.532 458 HD2 PRO 53 2HD PRO 53 -0.133 10.616 -7.177 459 HD3 PRO 53 3HD PRO 53 -0.256 12.144 -6.266 460 H ILE 54 H ILE 54 1.291 7.197 -3.596 461 HA ILE 54 HA ILE 54 2.399 5.915 -5.949 462 HB ILE 54 HB ILE 54 4.398 6.961 -4.955 463 HG12 ILE 54 2HG1 ILE 54 4.504 3.944 -4.511 464 HG13 ILE 54 3HG1 ILE 54 4.526 4.696 -6.102 465 HG21 ILE 54 1HG2 ILE 54 5.285 6.307 -2.744 466 HG22 ILE 54 2HG2 ILE 54 3.837 5.345 -2.442 467 HG23 ILE 54 3HG2 ILE 54 3.712 7.097 -2.597 468 HD11 ILE 54 1HD1 ILE 54 6.622 5.829 -5.522 469 HD12 ILE 54 2HD1 ILE 54 6.744 4.074 -5.414 470 HD13 ILE 54 3HD1 ILE 54 6.601 5.035 -3.944 471 H VAL 55 H VAL 55 1.997 3.774 -5.996 472 HA VAL 55 HA VAL 55 0.968 2.389 -3.590 473 HB VAL 55 HB VAL 55 0.181 1.836 -6.508 474 HG11 VAL 55 1HG1 VAL 55 -0.858 0.604 -3.927 475 HG12 VAL 55 2HG1 VAL 55 0.164 -0.196 -5.125 476 HG13 VAL 55 3HG1 VAL 55 -1.480 0.281 -5.547 477 HG21 VAL 55 1HG2 VAL 55 -2.050 2.696 -5.936 478 HG22 VAL 55 2HG2 VAL 55 -0.827 3.943 -5.708 479 HG23 VAL 55 3HG2 VAL 55 -1.498 3.105 -4.309 480 H ILE 56 H ILE 56 2.312 0.831 -2.964 481 HA ILE 56 HA ILE 56 4.348 -0.286 -4.782 482 HB ILE 56 HB ILE 56 4.252 -0.398 -1.724 483 HG12 ILE 56 2HG1 ILE 56 4.548 1.964 -2.640 484 HG13 ILE 56 3HG1 ILE 56 5.864 1.395 -1.625 485 HG21 ILE 56 1HG2 ILE 56 6.493 -1.098 -3.666 486 HG22 ILE 56 2HG2 ILE 56 5.536 -2.238 -2.718 487 HG23 ILE 56 3HG2 ILE 56 6.618 -1.109 -1.906 488 HD11 ILE 56 1HD1 ILE 56 7.220 0.961 -3.617 489 HD12 ILE 56 2HD1 ILE 56 6.686 2.638 -3.538 490 HD13 ILE 56 3HD1 ILE 56 5.891 1.517 -4.639 491 H PHE 57 H PHE 57 4.071 -2.339 -5.403 492 HA PHE 57 HA PHE 57 2.129 -4.110 -4.072 493 HB2 PHE 57 2HB PHE 57 3.374 -4.292 -6.867 494 HB3 PHE 57 3HB PHE 57 2.147 -5.373 -6.215 495 HD1 PHE 57 HD1 PHE 57 -0.162 -4.498 -5.738 496 HD2 PHE 57 HD2 PHE 57 2.753 -2.157 -7.823 497 HE1 PHE 57 HE1 PHE 57 -1.929 -2.992 -6.539 498 HE2 PHE 57 HE2 PHE 57 0.968 -0.660 -8.622 499 HZ PHE 57 HZ PHE 57 -1.370 -1.074 -7.974 500 H ILE 58 H ILE 58 3.187 -5.190 -2.564 501 HA ILE 58 HA ILE 58 5.911 -6.225 -3.035 502 HB ILE 58 HB ILE 58 4.448 -6.166 -0.349 503 HG12 ILE 58 2HG1 ILE 58 6.382 -4.019 -1.349 504 HG13 ILE 58 3HG1 ILE 58 4.633 -3.827 -1.329 505 HG21 ILE 58 1HG2 ILE 58 6.396 -7.685 -0.509 506 HG22 ILE 58 2HG2 ILE 58 6.737 -6.348 0.588 507 HG23 ILE 58 3HG2 ILE 58 7.416 -6.345 -1.041 508 HD11 ILE 58 1HD1 ILE 58 5.661 -2.731 0.553 509 HD12 ILE 58 2HD1 ILE 58 6.384 -4.249 1.082 510 HD13 ILE 58 3HD1 ILE 58 4.628 -4.052 1.095 511 H ARG 59 H ARG 59 5.734 -8.210 -3.945 512 HA ARG 59 HA ARG 59 3.752 -10.160 -3.197 513 HB2 ARG 59 2HB ARG 59 4.717 -10.352 -5.406 514 HB3 ARG 59 3HB ARG 59 6.355 -10.380 -4.760 515 HG2 ARG 59 2HG ARG 59 5.937 -12.573 -3.741 516 HG3 ARG 59 3HG ARG 59 4.272 -12.550 -4.328 517 HD2 ARG 59 2HD ARG 59 5.838 -13.937 -5.702 518 HD3 ARG 59 3HD ARG 59 4.996 -12.680 -6.610 519 HE ARG 59 HE ARG 59 7.718 -12.148 -5.623 520 HH11 ARG 59 1HH1 ARG 59 5.590 -12.747 -8.373 521 HH12 ARG 59 2HH1 ARG 59 6.775 -12.239 -9.534 522 HH21 ARG 59 1HH2 ARG 59 9.240 -11.520 -7.150 523 HH22 ARG 59 2HH2 ARG 59 8.853 -11.540 -8.836 524 H GLY 60 H GLY 60 3.816 -11.460 -1.501 525 HA2 GLY 60 2HA GLY 60 4.644 -12.806 0.194 526 HA3 GLY 60 3HA GLY 60 6.286 -12.271 -0.172 527 H ALA 61 H ALA 61 7.122 -11.144 1.452 528 HA ALA 61 HA ALA 61 7.535 -9.630 3.062 529 HB1 ALA 61 1HB ALA 61 6.294 -7.954 1.767 530 HB2 ALA 61 2HB ALA 61 6.068 -7.718 3.499 531 HB3 ALA 61 3HB ALA 61 4.789 -8.459 2.533 532 H THR 62 H THR 62 7.008 -9.082 5.265 533 HA THR 62 HA THR 62 4.908 -10.493 6.692 534 HB THR 62 HB THR 62 6.782 -12.173 6.513 535 HG1 THR 62 HG1 THR 62 5.357 -12.201 8.310 536 HG21 THR 62 1HG2 THR 62 8.854 -11.863 7.806 537 HG22 THR 62 2HG2 THR 62 8.375 -10.220 8.230 538 HG23 THR 62 3HG2 THR 62 8.734 -10.631 6.550 539 H GLU 63 H GLU 63 5.805 -9.974 9.311 540 HA GLU 63 HA GLU 63 4.964 -7.355 9.630 541 HB2 GLU 63 2HB GLU 63 4.915 -9.094 11.437 542 HB3 GLU 63 3HB GLU 63 6.650 -8.879 11.662 543 HG2 GLU 63 2HG GLU 63 6.207 -6.459 12.183 544 HG3 GLU 63 3HG GLU 63 4.484 -6.800 12.118 545 H GLU 64 H GLU 64 8.325 -8.514 9.973 546 HA GLU 64 HA GLU 64 9.409 -6.000 10.669 547 HB2 GLU 64 2HB GLU 64 11.574 -7.061 10.534 548 HB3 GLU 64 3HB GLU 64 10.426 -8.183 11.245 549 HG2 GLU 64 2HG GLU 64 11.401 -9.679 9.839 550 HG3 GLU 64 3HG GLU 64 10.291 -9.004 8.653 551 H VAL 65 H VAL 65 8.673 -7.379 7.560 552 HA VAL 65 HA VAL 65 10.210 -5.526 5.993 553 HB VAL 65 HB VAL 65 7.719 -7.063 5.104 554 HG11 VAL 65 1HG1 VAL 65 10.019 -5.944 3.457 555 HG12 VAL 65 2HG1 VAL 65 8.381 -5.293 3.543 556 HG13 VAL 65 3HG1 VAL 65 8.659 -6.882 2.831 557 HG21 VAL 65 1HG2 VAL 65 9.296 -8.679 6.044 558 HG22 VAL 65 2HG2 VAL 65 10.594 -8.048 5.033 559 HG23 VAL 65 3HG2 VAL 65 9.215 -8.863 4.291 560 H VAL 66 H VAL 66 6.715 -5.863 6.693 561 HA VAL 66 HA VAL 66 5.922 -3.616 5.180 562 HB VAL 66 HB VAL 66 4.334 -5.014 7.386 563 HG11 VAL 66 1HG1 VAL 66 3.353 -3.320 5.048 564 HG12 VAL 66 2HG1 VAL 66 3.335 -2.854 6.751 565 HG13 VAL 66 3HG1 VAL 66 2.322 -4.186 6.193 566 HG21 VAL 66 1HG2 VAL 66 3.364 -6.427 5.611 567 HG22 VAL 66 2HG2 VAL 66 5.114 -6.636 5.692 568 HG23 VAL 66 3HG2 VAL 66 4.405 -5.656 4.411 569 H ARG 67 H ARG 67 6.158 -4.074 8.749 570 HA ARG 67 HA ARG 67 5.299 -1.480 9.480 571 HB2 ARG 67 2HB ARG 67 5.981 -1.976 11.723 572 HB3 ARG 67 3HB ARG 67 5.418 -3.495 11.039 573 HG2 ARG 67 2HG ARG 67 7.768 -4.193 10.677 574 HG3 ARG 67 3HG ARG 67 8.323 -2.671 11.371 575 HD2 ARG 67 2HD ARG 67 6.701 -4.780 12.831 576 HD3 ARG 67 3HD ARG 67 8.442 -4.533 12.987 577 HE ARG 67 HE ARG 67 7.277 -2.093 13.585 578 HH11 ARG 67 1HH1 ARG 67 7.158 -5.349 14.918 579 HH12 ARG 67 2HH1 ARG 67 6.850 -4.805 16.533 580 HH21 ARG 67 1HH2 ARG 67 6.868 -1.386 15.705 581 HH22 ARG 67 2HH2 ARG 67 6.685 -2.543 16.987 582 H ASP 68 H ASP 68 8.415 -2.712 8.517 583 HA ASP 68 HA ASP 68 10.033 -0.558 9.468 584 HB2 ASP 68 2HB ASP 68 10.915 -2.853 8.948 585 HB3 ASP 68 3HB ASP 68 10.656 -2.542 7.232 586 H ILE 69 H ILE 69 8.415 -1.295 6.409 587 HA ILE 69 HA ILE 69 9.241 1.045 4.972 588 HB ILE 69 HB ILE 69 6.758 -0.700 4.629 589 HG12 ILE 69 2HG1 ILE 69 9.404 -0.836 3.107 590 HG13 ILE 69 3HG1 ILE 69 8.972 -1.903 4.436 591 HG21 ILE 69 1HG2 ILE 69 7.974 1.316 2.707 592 HG22 ILE 69 2HG2 ILE 69 6.424 1.459 3.538 593 HG23 ILE 69 3HG2 ILE 69 6.657 0.205 2.323 594 HD11 ILE 69 1HD1 ILE 69 7.539 -1.706 1.797 595 HD12 ILE 69 2HD1 ILE 69 7.087 -2.756 3.144 596 HD13 ILE 69 3HD1 ILE 69 8.628 -2.991 2.322 597 H VAL 70 H VAL 70 6.427 0.248 6.966 598 HA VAL 70 HA VAL 70 4.846 2.524 6.409 599 HB VAL 70 HB VAL 70 4.773 0.516 8.706 600 HG11 VAL 70 1HG1 VAL 70 2.705 2.643 8.054 601 HG12 VAL 70 2HG1 VAL 70 3.723 2.584 9.496 602 HG13 VAL 70 3HG1 VAL 70 2.503 1.339 9.227 603 HG21 VAL 70 1HG2 VAL 70 4.281 -0.402 6.459 604 HG22 VAL 70 2HG2 VAL 70 3.005 0.794 6.242 605 HG23 VAL 70 3HG2 VAL 70 2.853 -0.441 7.494 606 H GLU 71 H GLU 71 7.230 1.840 8.988 607 HA GLU 71 HA GLU 71 6.771 4.189 10.493 608 HB2 GLU 71 2HB GLU 71 8.950 3.768 11.586 609 HB3 GLU 71 3HB GLU 71 7.932 2.344 11.532 610 HG2 GLU 71 2HG GLU 71 9.963 1.394 11.044 611 HG3 GLU 71 3HG GLU 71 9.375 1.738 9.423 612 H TYR 72 H TYR 72 8.786 3.539 7.669 613 HA TYR 72 HA TYR 72 10.167 6.003 7.576 614 HB2 TYR 72 2HB TYR 72 10.836 4.052 6.193 615 HB3 TYR 72 3HB TYR 72 9.360 4.208 5.244 616 HD1 TYR 72 HD1 TYR 72 12.522 6.017 6.145 617 HD2 TYR 72 HD2 TYR 72 9.312 5.688 3.338 618 HE1 TYR 72 HE1 TYR 72 13.649 7.621 4.662 619 HE2 TYR 72 HE2 TYR 72 10.452 7.284 1.852 620 HH TYR 72 HH TYR 72 12.129 9.147 2.101 621 H ALA 73 H ALA 73 7.138 4.958 5.991 622 HA ALA 73 HA ALA 73 6.579 7.390 4.662 623 HB1 ALA 73 1HB ALA 73 4.324 6.455 4.307 624 HB2 ALA 73 2HB ALA 73 4.655 5.198 5.504 625 HB3 ALA 73 3HB ALA 73 5.576 5.247 4.001 626 H GLN 74 H GLN 74 5.906 6.317 7.948 627 HA GLN 74 HA GLN 74 4.132 8.493 8.630 628 HB2 GLN 74 2HB GLN 74 5.612 6.456 10.340 629 HB3 GLN 74 3HB GLN 74 4.561 7.695 11.022 630 HG2 GLN 74 2HG GLN 74 2.659 6.764 9.714 631 HG3 GLN 74 3HG GLN 74 3.714 5.492 9.112 632 HE21 GLN 74 1HE2 GLN 74 2.014 6.723 11.894 633 HE22 GLN 74 2HE2 GLN 74 2.155 5.299 12.863 634 H LYS 75 H LYS 75 7.633 7.864 9.017 635 HA LYS 75 HA LYS 75 8.237 10.168 10.593 636 HB2 LYS 75 2HB LYS 75 9.987 8.430 8.805 637 HB3 LYS 75 3HB LYS 75 10.638 9.795 9.710 638 HG2 LYS 75 2HG LYS 75 9.972 8.739 11.830 639 HG3 LYS 75 3HG LYS 75 9.263 7.384 10.949 640 HD2 LYS 75 2HD LYS 75 12.211 8.155 10.987 641 HD3 LYS 75 3HD LYS 75 11.485 6.777 11.815 642 HE2 LYS 75 2HE LYS 75 10.822 5.847 9.588 643 HE3 LYS 75 3HE LYS 75 11.668 7.185 8.811 644 HZ1 LYS 75 1HZ LYS 75 12.981 5.135 8.916 645 HZ2 LYS 75 2HZ LYS 75 12.937 5.192 10.603 646 HZ3 LYS 75 3HZ LYS 75 13.732 6.410 9.739 647 H GLU 76 H GLU 76 8.111 9.579 7.108 648 HA GLU 76 HA GLU 76 8.964 12.129 6.197 649 HB2 GLU 76 2HB GLU 76 7.105 10.087 4.903 650 HB3 GLU 76 3HB GLU 76 7.768 11.484 4.069 651 HG2 GLU 76 2HG GLU 76 9.367 9.177 5.209 652 HG3 GLU 76 3HG GLU 76 8.965 9.410 3.511 653 H GLY 77 H GLY 77 5.994 10.974 7.572 654 HA2 GLY 77 2HA GLY 77 4.200 12.138 8.431 655 HA3 GLY 77 3HA GLY 77 4.873 13.634 7.792 656 H LEU 78 H LEU 78 4.019 10.594 6.181 657 HA LEU 78 HA LEU 78 2.332 12.069 4.246 658 HB2 LEU 78 2HB LEU 78 3.734 9.378 3.898 659 HB3 LEU 78 3HB LEU 78 2.851 10.256 2.658 660 HG LEU 78 HG LEU 78 5.484 11.084 3.928 661 HD11 LEU 78 1HD1 LEU 78 4.878 10.230 1.081 662 HD12 LEU 78 2HD1 LEU 78 5.744 9.285 2.294 663 HD13 LEU 78 3HD1 LEU 78 6.444 10.783 1.688 664 HD21 LEU 78 1HD2 LEU 78 5.499 12.995 2.372 665 HD22 LEU 78 2HD2 LEU 78 4.164 13.085 3.517 666 HD23 LEU 78 3HD2 LEU 78 3.862 12.579 1.856 667 H ARG 79 H ARG 79 0.452 10.899 3.391 668 HA ARG 79 HA ARG 79 -1.121 9.569 5.391 669 HB2 ARG 79 2HB ARG 79 -2.184 11.088 3.781 670 HB3 ARG 79 3HB ARG 79 -1.587 10.141 2.427 671 HG2 ARG 79 2HG ARG 79 -3.928 9.683 2.712 672 HG3 ARG 79 3HG ARG 79 -3.012 8.249 3.156 673 HD2 ARG 79 2HD ARG 79 -4.653 8.386 4.821 674 HD3 ARG 79 3HD ARG 79 -3.242 9.098 5.596 675 HE ARG 79 HE ARG 79 -4.309 11.132 5.657 676 HH11 ARG 79 1HH1 ARG 79 -6.141 8.991 3.556 677 HH12 ARG 79 2HH1 ARG 79 -7.502 10.051 3.443 678 HH21 ARG 79 1HH2 ARG 79 -6.125 12.502 5.554 679 HH22 ARG 79 2HH2 ARG 79 -7.494 12.056 4.584 680 H VAL 80 H VAL 80 -0.950 7.415 5.834 681 HA VAL 80 HA VAL 80 0.302 5.597 3.851 682 HB VAL 80 HB VAL 80 0.156 5.062 6.858 683 HG11 VAL 80 1HG1 VAL 80 2.073 3.570 6.424 684 HG12 VAL 80 2HG1 VAL 80 2.041 4.010 4.714 685 HG13 VAL 80 3HG1 VAL 80 0.683 3.133 5.425 686 HG21 VAL 80 1HG2 VAL 80 1.283 7.231 6.617 687 HG22 VAL 80 2HG2 VAL 80 2.410 6.544 5.447 688 HG23 VAL 80 3HG2 VAL 80 2.432 5.990 7.125 689 H LEU 81 H LEU 81 -1.172 4.345 2.870 690 HA LEU 81 HA LEU 81 -3.462 3.168 4.360 691 HB2 LEU 81 2HB LEU 81 -3.177 3.455 1.325 692 HB3 LEU 81 3HB LEU 81 -4.578 2.870 2.195 693 HG LEU 81 HG LEU 81 -5.135 5.023 1.377 694 HD11 LEU 81 1HD1 LEU 81 -5.618 6.340 3.357 695 HD12 LEU 81 2HD1 LEU 81 -4.465 5.388 4.295 696 HD13 LEU 81 3HD1 LEU 81 -5.915 4.625 3.639 697 HD21 LEU 81 1HD2 LEU 81 -2.614 6.163 2.602 698 HD22 LEU 81 2HD2 LEU 81 -3.842 7.048 1.692 699 HD23 LEU 81 3HD2 LEU 81 -2.863 5.826 0.885 700 H VAL 82 H VAL 82 -2.821 1.119 4.940 701 HA VAL 82 HA VAL 82 -1.124 -0.458 3.095 702 HB VAL 82 HB VAL 82 -1.532 -0.886 6.095 703 HG11 VAL 82 1HG1 VAL 82 -1.040 -2.995 4.940 704 HG12 VAL 82 2HG1 VAL 82 0.340 -2.503 5.920 705 HG13 VAL 82 3HG1 VAL 82 0.379 -2.274 4.170 706 HG21 VAL 82 1HG2 VAL 82 0.859 0.316 4.656 707 HG22 VAL 82 2HG2 VAL 82 0.767 -0.039 6.382 708 HG23 VAL 82 3HG2 VAL 82 -0.286 1.188 5.677 709 H ILE 83 H ILE 83 -2.483 -1.588 1.828 710 HA ILE 83 HA ILE 83 -4.731 -3.089 3.046 711 HB ILE 83 HB ILE 83 -4.141 -2.484 0.106 712 HG12 ILE 83 2HG1 ILE 83 -6.329 -1.607 2.036 713 HG13 ILE 83 3HG1 ILE 83 -5.192 -0.591 1.163 714 HG21 ILE 83 1HG2 ILE 83 -6.188 -3.754 -0.462 715 HG22 ILE 83 2HG2 ILE 83 -6.364 -4.236 1.225 716 HG23 ILE 83 3HG2 ILE 83 -4.981 -4.799 0.287 717 HD11 ILE 83 1HD1 ILE 83 -7.467 -2.151 -0.053 718 HD12 ILE 83 2HD1 ILE 83 -6.320 -1.137 -0.936 719 HD13 ILE 83 3HD1 ILE 83 -7.410 -0.415 0.244 720 H MET 84 H MET 84 -4.320 -5.095 3.561 721 HA MET 84 HA MET 84 -2.248 -6.685 2.168 722 HB2 MET 84 2HB MET 84 -3.272 -6.799 5.045 723 HB3 MET 84 3HB MET 84 -2.160 -7.976 4.354 724 HG2 MET 84 2HG MET 84 -0.438 -6.321 4.119 725 HG3 MET 84 3HG MET 84 -1.552 -5.014 4.494 726 HE1 MET 84 1HE MET 84 -3.058 -5.443 6.996 727 HE2 MET 84 2HE MET 84 -1.934 -4.089 6.875 728 HE3 MET 84 3HE MET 84 -1.920 -5.121 8.304 729 H VAL 85 H VAL 85 -3.146 -8.124 0.852 730 HA VAL 85 HA VAL 85 -5.768 -9.378 1.475 731 HB VAL 85 HB VAL 85 -4.763 -8.536 -1.298 732 HG11 VAL 85 1HG1 VAL 85 -6.020 -10.644 -1.422 733 HG12 VAL 85 2HG1 VAL 85 -6.937 -9.333 -2.162 734 HG13 VAL 85 3HG1 VAL 85 -7.374 -9.914 -0.553 735 HG21 VAL 85 1HG2 VAL 85 -7.092 -7.428 0.317 736 HG22 VAL 85 2HG2 VAL 85 -6.652 -6.950 -1.325 737 HG23 VAL 85 3HG2 VAL 85 -5.556 -6.615 0.013 738 H ASP 86 H ASP 86 -5.431 -11.463 1.831 739 HA ASP 86 HA ASP 86 -4.105 -13.280 0.149 740 HB2 ASP 86 2HB ASP 86 -2.006 -12.329 0.915 741 HB3 ASP 86 3HB ASP 86 -2.528 -12.377 2.591 742 H GLN 87 H GLN 87 -4.201 -15.469 0.979 743 HA GLN 87 HA GLN 87 -6.649 -15.910 2.408 744 HB2 GLN 87 2HB GLN 87 -4.640 -17.962 1.386 745 HB3 GLN 87 3HB GLN 87 -6.308 -18.281 1.855 746 HG2 GLN 87 2HG GLN 87 -5.407 -16.590 -0.492 747 HG3 GLN 87 3HG GLN 87 -6.078 -18.216 -0.579 748 HE21 GLN 87 1HE2 GLN 87 -7.041 -15.692 -1.801 749 HE22 GLN 87 2HE2 GLN 87 -8.662 -15.480 -1.237 750 H ASP 88 H ASP 88 -3.233 -16.103 3.245 751 HA ASP 88 HA ASP 88 -3.693 -17.469 5.785 752 HB2 ASP 88 2HB ASP 88 -1.184 -16.065 4.740 753 HB3 ASP 88 3HB ASP 88 -1.270 -17.040 6.205 754 H GLN 89 H GLN 89 -5.398 -15.936 6.276 755 HA GLN 89 HA GLN 89 -5.091 -13.151 6.462 756 HB2 GLN 89 2HB GLN 89 -7.272 -14.164 6.090 757 HB3 GLN 89 3HB GLN 89 -7.187 -15.043 7.611 758 HG2 GLN 89 2HG GLN 89 -8.730 -13.131 7.735 759 HG3 GLN 89 3HG GLN 89 -7.394 -12.960 8.870 760 HE21 GLN 89 1HE2 GLN 89 -7.268 -10.833 9.060 761 HE22 GLN 89 2HE2 GLN 89 -6.998 -9.728 7.775 762 H GLU 90 H GLU 90 -4.431 -15.669 8.804 763 HA GLU 90 HA GLU 90 -4.498 -14.128 11.185 764 HB2 GLU 90 2HB GLU 90 -2.835 -16.602 10.540 765 HB3 GLU 90 3HB GLU 90 -3.127 -15.961 12.157 766 HG2 GLU 90 2HG GLU 90 -5.567 -16.361 11.851 767 HG3 GLU 90 3HG GLU 90 -5.229 -17.056 10.267 768 H GLU 91 H GLU 91 -1.916 -14.772 8.835 769 HA GLU 91 HA GLU 91 0.223 -13.374 10.041 770 HB2 GLU 91 2HB GLU 91 0.619 -14.858 8.157 771 HB3 GLU 91 3HB GLU 91 -0.475 -13.950 7.129 772 HG2 GLU 91 2HG GLU 91 1.839 -13.571 6.478 773 HG3 GLU 91 3HG GLU 91 1.099 -12.082 7.055 774 H LEU 92 H LEU 92 -2.306 -12.337 7.764 775 HA LEU 92 HA LEU 92 -1.547 -9.654 7.371 776 HB2 LEU 92 2HB LEU 92 -4.207 -11.094 7.127 777 HB3 LEU 92 3HB LEU 92 -4.104 -9.368 6.839 778 HG LEU 92 HG LEU 92 -2.620 -9.720 4.925 779 HD11 LEU 92 1HD1 LEU 92 -2.069 -11.919 4.055 780 HD12 LEU 92 2HD1 LEU 92 -2.838 -12.687 5.446 781 HD13 LEU 92 3HD1 LEU 92 -1.394 -11.698 5.667 782 HD21 LEU 92 1HD2 LEU 92 -5.089 -11.479 4.803 783 HD22 LEU 92 2HD2 LEU 92 -4.221 -10.823 3.413 784 HD23 LEU 92 3HD2 LEU 92 -5.035 -9.734 4.532 785 H GLU 93 H GLU 93 -3.626 -11.163 9.788 786 HA GLU 93 HA GLU 93 -4.761 -8.791 10.878 787 HB2 GLU 93 2HB GLU 93 -5.836 -11.019 11.007 788 HB3 GLU 93 3HB GLU 93 -4.542 -11.603 12.054 789 HG2 GLU 93 2HG GLU 93 -5.196 -9.994 13.790 790 HG3 GLU 93 3HG GLU 93 -6.450 -9.336 12.738 791 H ARG 94 H ARG 94 -1.901 -10.710 11.640 792 HA ARG 94 HA ARG 94 -1.215 -9.502 14.116 793 HB2 ARG 94 2HB ARG 94 -0.161 -11.606 13.370 794 HB3 ARG 94 3HB ARG 94 0.590 -10.776 12.012 795 HG2 ARG 94 2HG ARG 94 2.219 -11.182 13.815 796 HG3 ARG 94 3HG ARG 94 1.984 -9.454 13.554 797 HD2 ARG 94 2HD ARG 94 0.520 -9.340 15.525 798 HD3 ARG 94 3HD ARG 94 0.686 -11.083 15.769 799 HE ARG 94 HE ARG 94 3.140 -9.476 15.783 800 HH11 ARG 94 1HH1 ARG 94 0.682 -11.124 17.692 801 HH12 ARG 94 2HH1 ARG 94 1.655 -11.172 19.128 802 HH21 ARG 94 1HH2 ARG 94 4.410 -9.565 17.670 803 HH22 ARG 94 2HH2 ARG 94 3.776 -10.286 19.114 804 H ILE 95 H ILE 95 -0.349 -8.745 10.747 805 HA ILE 95 HA ILE 95 1.402 -6.572 11.320 806 HB ILE 95 HB ILE 95 -0.193 -6.699 8.732 807 HG12 ILE 95 2HG1 ILE 95 0.513 -8.991 8.963 808 HG13 ILE 95 3HG1 ILE 95 1.563 -8.236 7.776 809 HG21 ILE 95 1HG2 ILE 95 1.879 -5.812 7.732 810 HG22 ILE 95 2HG2 ILE 95 2.669 -5.853 9.309 811 HG23 ILE 95 3HG2 ILE 95 1.298 -4.776 9.037 812 HD11 ILE 95 1HD1 ILE 95 2.847 -9.671 9.167 813 HD12 ILE 95 2HD1 ILE 95 2.232 -8.911 10.632 814 HD13 ILE 95 3HD1 ILE 95 3.285 -8.009 9.541 815 H TYR 96 H TYR 96 -2.004 -6.830 10.511 816 HA TYR 96 HA TYR 96 -2.807 -4.160 10.373 817 HB2 TYR 96 2HB TYR 96 -4.193 -6.107 9.680 818 HB3 TYR 96 3HB TYR 96 -4.308 -6.661 11.340 819 HD1 TYR 96 HD1 TYR 96 -5.724 -4.468 8.799 820 HD2 TYR 96 HD2 TYR 96 -5.751 -5.332 12.986 821 HE1 TYR 96 HE1 TYR 96 -7.853 -3.279 9.037 822 HE2 TYR 96 HE2 TYR 96 -7.886 -4.127 13.213 823 HH TYR 96 HH TYR 96 -9.176 -2.424 12.054 824 H GLU 97 H GLU 97 -2.603 -6.384 13.136 825 HA GLU 97 HA GLU 97 -3.863 -4.840 15.116 826 HB2 GLU 97 2HB GLU 97 -3.371 -7.318 15.203 827 HB3 GLU 97 3HB GLU 97 -1.678 -6.941 15.495 828 HG2 GLU 97 2HG GLU 97 -2.410 -5.716 17.581 829 HG3 GLU 97 3HG GLU 97 -4.032 -6.346 17.308 830 H GLN 98 H GLN 98 -0.403 -5.256 14.357 831 HA GLN 98 HA GLN 98 0.681 -3.466 16.261 832 HB2 GLN 98 2HB GLN 98 2.152 -5.074 15.230 833 HB3 GLN 98 3HB GLN 98 1.717 -4.553 13.607 834 HG2 GLN 98 2HG GLN 98 3.992 -3.839 14.195 835 HG3 GLN 98 3HG GLN 98 2.942 -2.447 13.920 836 HE21 GLN 98 1HE2 GLN 98 4.126 -1.006 15.128 837 HE22 GLN 98 2HE2 GLN 98 4.333 -1.128 16.840 838 H LEU 99 H LEU 99 -0.052 -3.009 12.805 839 HA LEU 99 HA LEU 99 0.835 -0.325 12.609 840 HB2 LEU 99 2HB LEU 99 -0.668 -2.232 10.832 841 HB3 LEU 99 3HB LEU 99 -0.662 -0.538 10.391 842 HG LEU 99 HG LEU 99 1.741 -0.548 10.098 843 HD11 LEU 99 1HD1 LEU 99 3.163 -2.519 10.358 844 HD12 LEU 99 2HD1 LEU 99 1.794 -3.423 11.010 845 HD13 LEU 99 3HD1 LEU 99 2.440 -2.041 11.895 846 HD21 LEU 99 1HD2 LEU 99 1.954 -2.101 8.196 847 HD22 LEU 99 2HD2 LEU 99 0.398 -1.275 8.189 848 HD23 LEU 99 3HD2 LEU 99 0.502 -2.951 8.733 849 H LYS 100 H LYS 100 -2.257 -1.708 13.480 850 HA LYS 100 HA LYS 100 -3.879 0.605 13.024 851 HB2 LYS 100 2HB LYS 100 -4.449 -2.038 13.655 852 HB3 LYS 100 3HB LYS 100 -4.736 -1.288 15.210 853 HG2 LYS 100 2HG LYS 100 -6.079 -0.512 12.599 854 HG3 LYS 100 3HG LYS 100 -6.797 -1.519 13.856 855 HD2 LYS 100 2HD LYS 100 -6.754 0.365 15.430 856 HD3 LYS 100 3HD LYS 100 -5.929 1.371 14.236 857 HE2 LYS 100 2HE LYS 100 -7.921 1.202 12.754 858 HE3 LYS 100 3HE LYS 100 -8.745 0.258 13.998 859 HZ1 LYS 100 1HZ LYS 100 -8.675 2.117 15.471 860 HZ2 LYS 100 2HZ LYS 100 -9.312 2.647 14.000 861 HZ3 LYS 100 3HZ LYS 100 -7.714 3.012 14.407 862 H LYS 101 H LYS 101 -2.031 -0.686 15.746 863 HA LYS 101 HA LYS 101 -2.665 1.332 17.656 864 HB2 LYS 101 2HB LYS 101 -1.785 -0.971 18.182 865 HB3 LYS 101 3HB LYS 101 -0.212 -0.475 17.568 866 HG2 LYS 101 2HG LYS 101 -0.079 1.264 19.330 867 HG3 LYS 101 3HG LYS 101 -1.650 0.754 19.953 868 HD2 LYS 101 2HD LYS 101 0.918 -0.876 19.906 869 HD3 LYS 101 3HD LYS 101 0.118 -0.205 21.328 870 HE2 LYS 101 2HE LYS 101 -0.922 -2.427 19.541 871 HE3 LYS 101 3HE LYS 101 -0.332 -2.590 21.192 872 HZ1 LYS 101 1HZ LYS 101 -2.193 -1.210 21.928 873 HZ2 LYS 101 2HZ LYS 101 -2.719 -2.614 21.150 874 HZ3 LYS 101 3HZ LYS 101 -2.775 -1.129 20.343 875 H ASP 102 H ASP 102 -0.150 1.018 15.163 876 HA ASP 102 HA ASP 102 1.387 3.332 15.829 877 HB2 ASP 102 2HB ASP 102 1.019 1.911 13.154 878 HB3 ASP 102 3HB ASP 102 2.138 3.246 13.384 879 H GLY 103 H GLY 103 -1.750 2.947 14.477 880 HA2 GLY 103 2HA GLY 103 -3.379 4.617 14.254 881 HA3 GLY 103 3HA GLY 103 -2.122 5.846 14.227 882 H VAL 104 H VAL 104 -1.872 3.039 12.236 883 HA VAL 104 HA VAL 104 -1.874 4.653 9.790 884 HB VAL 104 HB VAL 104 -1.102 1.725 10.255 885 HG11 VAL 104 1HG1 VAL 104 -0.557 3.501 7.847 886 HG12 VAL 104 2HG1 VAL 104 -1.667 2.130 7.903 887 HG13 VAL 104 3HG1 VAL 104 0.067 1.866 8.086 888 HG21 VAL 104 1HG2 VAL 104 0.292 3.304 11.545 889 HG22 VAL 104 2HG2 VAL 104 0.712 4.150 10.053 890 HG23 VAL 104 3HG2 VAL 104 1.210 2.474 10.291 891 H ASP 105 H ASP 105 -3.322 4.280 8.062 892 HA ASP 105 HA ASP 105 -5.823 2.988 8.705 893 HB2 ASP 105 2HB ASP 105 -5.682 5.037 7.223 894 HB3 ASP 105 3HB ASP 105 -4.892 4.047 6.001 895 H VAL 106 H VAL 106 -5.795 0.839 8.775 896 HA VAL 106 HA VAL 106 -4.396 -0.691 6.658 897 HB VAL 106 HB VAL 106 -4.294 -2.566 8.474 898 HG11 VAL 106 1HG1 VAL 106 -2.156 -1.718 9.342 899 HG12 VAL 106 2HG1 VAL 106 -2.547 -0.091 8.779 900 HG13 VAL 106 3HG1 VAL 106 -2.312 -1.400 7.618 901 HG21 VAL 106 1HG2 VAL 106 -5.775 -1.524 10.150 902 HG22 VAL 106 2HG2 VAL 106 -4.665 -0.164 10.320 903 HG23 VAL 106 3HG2 VAL 106 -4.165 -1.783 10.823 904 H ARG 107 H ARG 107 -5.413 -2.222 5.654 905 HA ARG 107 HA ARG 107 -8.194 -2.951 6.301 906 HB2 ARG 107 2HB ARG 107 -7.155 -2.185 3.517 907 HB3 ARG 107 3HB ARG 107 -8.785 -2.730 3.898 908 HG2 ARG 107 2HG ARG 107 -9.176 -0.703 5.231 909 HG3 ARG 107 3HG ARG 107 -7.530 -0.162 4.906 910 HD2 ARG 107 2HD ARG 107 -8.041 0.082 2.523 911 HD3 ARG 107 3HD ARG 107 -9.656 -0.593 2.777 912 HE ARG 107 HE ARG 107 -8.950 1.816 4.278 913 HH11 ARG 107 1HH1 ARG 107 -10.640 0.481 1.501 914 HH12 ARG 107 2HH1 ARG 107 -11.659 1.866 1.289 915 HH21 ARG 107 1HH2 ARG 107 -10.345 3.567 4.060 916 HH22 ARG 107 2HH2 ARG 107 -11.481 3.628 2.754 917 H VAL 108 H VAL 108 -8.245 -5.098 6.486 918 HA VAL 108 HA VAL 108 -6.424 -6.783 4.858 919 HB VAL 108 HB VAL 108 -6.544 -8.477 6.735 920 HG11 VAL 108 1HG1 VAL 108 -5.236 -5.824 7.429 921 HG12 VAL 108 2HG1 VAL 108 -4.555 -7.100 6.416 922 HG13 VAL 108 3HG1 VAL 108 -4.827 -7.395 8.132 923 HG21 VAL 108 1HG2 VAL 108 -8.550 -7.651 7.904 924 HG22 VAL 108 2HG2 VAL 108 -7.703 -6.174 8.362 925 HG23 VAL 108 3HG2 VAL 108 -7.177 -7.730 9.011 926 H THR 109 H THR 109 -7.369 -8.403 3.710 927 HA THR 109 HA THR 109 -9.877 -9.592 4.379 928 HB THR 109 HB THR 109 -10.855 -7.542 3.505 929 HG1 THR 109 HG1 THR 109 -12.177 -8.437 1.947 930 HG21 THR 109 1HG2 THR 109 -9.036 -6.685 2.074 931 HG22 THR 109 2HG2 THR 109 -10.560 -6.750 1.185 932 HG23 THR 109 3HG2 THR 109 -9.328 -7.983 0.912 933 H ASP 110 H ASP 110 -9.624 -11.682 3.711 934 HA ASP 110 HA ASP 110 -8.192 -12.272 1.225 935 HB2 ASP 110 2HB ASP 110 -8.797 -14.683 1.778 936 HB3 ASP 110 3HB ASP 110 -7.773 -13.882 2.954 937 H ASN 111 H ASN 111 -9.445 -11.213 -0.273 938 HA ASN 111 HA ASN 111 -11.656 -12.573 -1.411 939 HB2 ASN 111 2HB ASN 111 -12.348 -10.401 0.478 940 HB3 ASN 111 3HB ASN 111 -12.948 -10.044 -1.125 941 HD21 ASN 111 1HD2 ASN 111 -13.316 -12.124 1.653 942 HD22 ASN 111 2HD2 ASN 111 -14.757 -12.905 1.109 943 H GLU 112 H GLU 112 -11.946 -11.970 -3.518 944 HA GLU 112 HA GLU 112 -9.774 -10.533 -4.730 945 HB2 GLU 112 2HB GLU 112 -10.887 -12.641 -5.643 946 HB3 GLU 112 3HB GLU 112 -12.263 -11.643 -6.101 947 HG2 GLU 112 2HG GLU 112 -10.828 -12.013 -8.031 948 HG3 GLU 112 3HG GLU 112 -10.784 -10.311 -7.570 949 H ASP 113 H ASP 113 -13.326 -10.080 -4.633 950 HA ASP 113 HA ASP 113 -13.345 -7.653 -6.108 951 HB2 ASP 113 2HB ASP 113 -15.453 -8.805 -4.229 952 HB3 ASP 113 3HB ASP 113 -15.708 -7.376 -5.222 953 H GLU 114 H GLU 114 -13.648 -8.291 -2.572 954 HA GLU 114 HA GLU 114 -13.865 -5.697 -1.622 955 HB2 GLU 114 2HB GLU 114 -12.581 -8.141 -0.358 956 HB3 GLU 114 3HB GLU 114 -12.612 -6.605 0.493 957 HG2 GLU 114 2HG GLU 114 -15.036 -8.165 -0.436 958 HG3 GLU 114 3HG GLU 114 -14.423 -8.089 1.211 959 H ALA 115 H ALA 115 -10.908 -7.466 -2.462 960 HA ALA 115 HA ALA 115 -8.901 -5.749 -1.624 961 HB1 ALA 115 1HB ALA 115 -7.524 -6.738 -3.439 962 HB2 ALA 115 2HB ALA 115 -8.986 -7.375 -4.199 963 HB3 ALA 115 3HB ALA 115 -8.479 -7.972 -2.617 964 H LYS 116 H LYS 116 -10.683 -5.733 -4.688 965 HA LYS 116 HA LYS 116 -9.309 -3.515 -5.867 966 HB2 LYS 116 2HB LYS 116 -11.935 -4.822 -6.720 967 HB3 LYS 116 3HB LYS 116 -10.905 -3.800 -7.723 968 HG2 LYS 116 2HG LYS 116 -9.127 -5.471 -7.691 969 HG3 LYS 116 3HG LYS 116 -10.051 -6.471 -6.566 970 HD2 LYS 116 2HD LYS 116 -11.848 -6.646 -8.362 971 HD3 LYS 116 3HD LYS 116 -10.714 -5.864 -9.468 972 HE2 LYS 116 2HE LYS 116 -9.110 -7.699 -9.121 973 HE3 LYS 116 3HE LYS 116 -10.229 -8.472 -7.994 974 HZ1 LYS 116 1HZ LYS 116 -10.438 -9.497 -10.108 975 HZ2 LYS 116 2HZ LYS 116 -10.645 -8.023 -10.897 976 HZ3 LYS 116 3HZ LYS 116 -11.845 -8.598 -9.851 977 H LYS 117 H LYS 117 -12.320 -3.886 -4.034 978 HA LYS 117 HA LYS 117 -13.516 -1.378 -4.729 979 HB2 LYS 117 2HB LYS 117 -14.003 -2.962 -2.167 980 HB3 LYS 117 3HB LYS 117 -15.065 -1.755 -2.866 981 HG2 LYS 117 2HG LYS 117 -14.493 -4.517 -3.943 982 HG3 LYS 117 3HG LYS 117 -15.966 -3.980 -3.162 983 HD2 LYS 117 2HD LYS 117 -16.635 -3.920 -5.377 984 HD3 LYS 117 3HD LYS 117 -16.045 -2.268 -5.213 985 HE2 LYS 117 2HE LYS 117 -13.962 -2.852 -6.318 986 HE3 LYS 117 3HE LYS 117 -14.388 -4.566 -6.309 987 HZ1 LYS 117 1HZ LYS 117 -14.775 -3.579 -8.468 988 HZ2 LYS 117 2HZ LYS 117 -15.822 -2.431 -7.804 989 HZ3 LYS 117 3HZ LYS 117 -16.241 -4.071 -7.784 990 H ARG 118 H ARG 118 -11.770 -2.540 -1.866 991 HA ARG 118 HA ARG 118 -11.678 -0.109 -0.432 992 HB2 ARG 118 2HB ARG 118 -9.785 -2.496 -0.220 993 HB3 ARG 118 3HB ARG 118 -9.981 -1.234 0.989 994 HG2 ARG 118 2HG ARG 118 -12.070 -3.267 0.166 995 HG3 ARG 118 3HG ARG 118 -11.144 -3.275 1.663 996 HD2 ARG 118 2HD ARG 118 -12.256 -1.250 2.416 997 HD3 ARG 118 3HD ARG 118 -13.074 -1.073 0.859 998 HE ARG 118 HE ARG 118 -13.650 -3.580 2.119 999 HH11 ARG 118 1HH1 ARG 118 -14.595 -0.183 2.067 1000 HH12 ARG 118 2HH1 ARG 118 -16.187 -0.511 2.672 1001 HH21 ARG 118 1HH2 ARG 118 -15.736 -3.985 2.824 1002 HH22 ARG 118 2HH2 ARG 118 -16.834 -2.668 3.100 1003 H LEU 119 H LEU 119 -9.533 -1.577 -2.819 1004 HA LEU 119 HA LEU 119 -7.325 0.182 -2.571 1005 HB2 LEU 119 2HB LEU 119 -7.663 -2.124 -3.922 1006 HB3 LEU 119 3HB LEU 119 -8.001 -1.047 -5.258 1007 HG LEU 119 HG LEU 119 -5.663 -1.763 -5.325 1008 HD11 LEU 119 1HD1 LEU 119 -5.744 1.152 -4.488 1009 HD12 LEU 119 2HD1 LEU 119 -6.081 0.534 -6.106 1010 HD13 LEU 119 3HD1 LEU 119 -4.465 0.366 -5.423 1011 HD21 LEU 119 1HD2 LEU 119 -4.058 -1.287 -3.526 1012 HD22 LEU 119 2HD2 LEU 119 -5.369 -2.309 -2.946 1013 HD23 LEU 119 3HD2 LEU 119 -5.346 -0.592 -2.537 1014 H LYS 120 H LYS 120 -10.152 0.180 -4.739 1015 HA LYS 120 HA LYS 120 -9.563 2.504 -6.215 1016 HB2 LYS 120 2HB LYS 120 -11.227 0.690 -6.809 1017 HB3 LYS 120 3HB LYS 120 -12.321 1.336 -5.603 1018 HG2 LYS 120 2HG LYS 120 -11.332 3.055 -7.895 1019 HG3 LYS 120 3HG LYS 120 -12.681 1.946 -8.112 1020 HD2 LYS 120 2HD LYS 120 -12.572 4.237 -6.116 1021 HD3 LYS 120 3HD LYS 120 -13.458 4.238 -7.642 1022 HE2 LYS 120 2HE LYS 120 -14.935 2.482 -6.857 1023 HE3 LYS 120 3HE LYS 120 -13.980 2.272 -5.386 1024 HZ1 LYS 120 1HZ LYS 120 -14.576 4.516 -4.731 1025 HZ2 LYS 120 2HZ LYS 120 -15.958 3.577 -4.955 1026 HZ3 LYS 120 3HZ LYS 120 -15.506 4.710 -6.123 1027 H GLU 121 H GLU 121 -11.280 2.005 -3.167 1028 HA GLU 121 HA GLU 121 -12.230 4.591 -2.654 1029 HB2 GLU 121 2HB GLU 121 -11.342 2.359 -0.796 1030 HB3 GLU 121 3HB GLU 121 -12.035 3.858 -0.188 1031 HG2 GLU 121 2HG GLU 121 -14.145 3.413 -1.271 1032 HG3 GLU 121 3HG GLU 121 -13.465 2.045 -2.150 1033 H LEU 122 H LEU 122 -8.988 3.208 -2.240 1034 HA LEU 122 HA LEU 122 -7.882 5.253 -0.590 1035 HB2 LEU 122 2HB LEU 122 -6.363 3.442 -2.507 1036 HB3 LEU 122 3HB LEU 122 -5.679 4.357 -1.171 1037 HG LEU 122 HG LEU 122 -7.453 1.911 -1.030 1038 HD11 LEU 122 1HD1 LEU 122 -4.634 2.478 -0.099 1039 HD12 LEU 122 2HD1 LEU 122 -5.137 1.438 -1.434 1040 HD13 LEU 122 3HD1 LEU 122 -5.526 0.994 0.222 1041 HD21 LEU 122 1HD2 LEU 122 -6.647 3.665 1.321 1042 HD22 LEU 122 2HD2 LEU 122 -7.408 2.077 1.436 1043 HD23 LEU 122 3HD2 LEU 122 -8.285 3.419 0.710 1044 H LEU 123 H LEU 123 -8.111 4.820 -4.090 1045 HA LEU 123 HA LEU 123 -6.511 6.982 -4.937 1046 HB2 LEU 123 2HB LEU 123 -8.894 5.616 -6.227 1047 HB3 LEU 123 3HB LEU 123 -8.117 6.987 -6.988 1048 HG LEU 123 HG LEU 123 -7.205 5.084 -8.061 1049 HD11 LEU 123 1HD1 LEU 123 -5.513 6.784 -7.496 1050 HD12 LEU 123 2HD1 LEU 123 -4.822 5.171 -7.617 1051 HD13 LEU 123 3HD1 LEU 123 -5.100 5.891 -6.030 1052 HD21 LEU 123 1HD2 LEU 123 -6.607 3.813 -5.371 1053 HD22 LEU 123 2HD2 LEU 123 -6.206 3.146 -6.957 1054 HD23 LEU 123 3HD2 LEU 123 -7.891 3.338 -6.487 1055 H GLU 124 H GLU 124 -9.823 6.827 -3.812 1056 HA GLU 124 HA GLU 124 -10.461 9.613 -4.253 1057 HB2 GLU 124 2HB GLU 124 -11.901 7.542 -2.534 1058 HB3 GLU 124 3HB GLU 124 -12.553 9.084 -3.082 1059 HG2 GLU 124 2HG GLU 124 -12.430 8.306 -5.426 1060 HG3 GLU 124 3HG GLU 124 -11.796 6.757 -4.870 1061 H LYS 125 H LYS 125 -9.157 7.627 -1.654 1062 HA LYS 125 HA LYS 125 -9.313 9.635 0.400 1063 HB2 LYS 125 2HB LYS 125 -7.625 7.100 0.266 1064 HB3 LYS 125 3HB LYS 125 -7.742 8.154 1.673 1065 HG2 LYS 125 2HG LYS 125 -10.261 7.713 1.645 1066 HG3 LYS 125 3HG LYS 125 -9.927 6.464 0.445 1067 HD2 LYS 125 2HD LYS 125 -10.072 5.427 2.634 1068 HD3 LYS 125 3HD LYS 125 -8.400 5.345 2.074 1069 HE2 LYS 125 2HE LYS 125 -7.813 7.263 3.498 1070 HE3 LYS 125 3HE LYS 125 -9.494 7.402 4.024 1071 HZ1 LYS 125 1HZ LYS 125 -7.792 5.008 4.476 1072 HZ2 LYS 125 2HZ LYS 125 -9.346 5.280 5.078 1073 HZ3 LYS 125 3HZ LYS 125 -8.062 6.227 5.617 1074 H VAL 126 H VAL 126 -7.159 9.113 -2.249 1075 HA VAL 126 HA VAL 126 -5.200 11.046 -1.378 1076 HB VAL 126 HB VAL 126 -6.005 10.265 -4.237 1077 HG11 VAL 126 1HG1 VAL 126 -3.835 11.191 -4.917 1078 HG12 VAL 126 2HG1 VAL 126 -3.495 11.669 -3.254 1079 HG13 VAL 126 3HG1 VAL 126 -4.824 12.427 -4.137 1080 HG21 VAL 126 1HG2 VAL 126 -5.207 8.293 -3.000 1081 HG22 VAL 126 2HG2 VAL 126 -3.736 9.151 -2.543 1082 HG23 VAL 126 3HG2 VAL 126 -4.039 8.763 -4.237 1083 H LEU 127 H LEU 127 -8.090 11.074 -3.458 1084 HA LEU 127 HA LEU 127 -7.889 13.840 -4.160 1085 HB2 LEU 127 2HB LEU 127 -10.133 11.841 -4.631 1086 HB3 LEU 127 3HB LEU 127 -10.036 13.433 -5.371 1087 HG LEU 127 HG LEU 127 -8.062 11.157 -5.812 1088 HD11 LEU 127 1HD1 LEU 127 -10.208 10.704 -6.875 1089 HD12 LEU 127 2HD1 LEU 127 -8.963 11.016 -8.081 1090 HD13 LEU 127 3HD1 LEU 127 -10.157 12.265 -7.705 1091 HD21 LEU 127 1HD2 LEU 127 -8.105 13.917 -7.087 1092 HD22 LEU 127 2HD2 LEU 127 -7.060 12.580 -7.577 1093 HD23 LEU 127 3HD2 LEU 127 -6.888 13.286 -5.973 1094 H GLU 128 H GLU 128 -9.136 12.421 -1.354 1095 HA GLU 128 HA GLU 128 -11.339 14.110 -0.778 1096 HB2 GLU 128 2HB GLU 128 -10.995 13.482 1.602 1097 HB3 GLU 128 3HB GLU 128 -10.970 12.081 0.538 1098 HG2 GLU 128 2HG GLU 128 -8.568 11.913 0.694 1099 HG3 GLU 128 3HG GLU 128 -8.466 13.441 1.562 1100 H HIS 129 H HIS 129 -7.855 14.551 -0.409 1101 HA HIS 129 HA HIS 129 -8.286 17.428 0.189 1102 HB2 HIS 129 2HB HIS 129 -6.041 15.627 1.195 1103 HB3 HIS 129 3HB HIS 129 -6.022 17.383 1.328 1104 HD1 HIS 129 HD1 HIS 129 -7.737 18.459 2.985 1105 HD2 HIS 129 HD2 HIS 129 -7.628 14.306 3.076 1106 HE1 HIS 129 HE1 HIS 129 -8.993 17.797 5.054 1107 HE2 HIS 129 HE2 HIS 129 -8.833 15.290 5.137 1108 H HIS 130 H HIS 130 -8.161 15.986 -2.330 1109 HA HIS 130 HA HIS 130 -6.357 17.911 -3.627 1110 HB2 HIS 130 2HB HIS 130 -6.562 14.944 -4.339 1111 HB3 HIS 130 3HB HIS 130 -5.982 16.146 -5.486 1112 HD1 HIS 130 HD1 HIS 130 -4.862 13.976 -2.769 1113 HD2 HIS 130 HD2 HIS 130 -3.511 17.432 -4.620 1114 HE1 HIS 130 HE1 HIS 130 -2.433 14.142 -2.180 1115 HE2 HIS 130 HE2 HIS 130 -1.705 16.340 -3.152 1116 H HIS 131 H HIS 131 -8.275 19.130 -3.707 1117 HA HIS 131 HA HIS 131 -10.786 18.329 -4.628 1118 HB2 HIS 131 2HB HIS 131 -10.462 20.436 -3.409 1119 HB3 HIS 131 3HB HIS 131 -9.495 21.099 -4.721 1120 HD1 HIS 131 HD1 HIS 131 -10.759 22.329 -6.551 1121 HD2 HIS 131 HD2 HIS 131 -13.281 20.123 -4.084 1122 HE1 HIS 131 HE1 HIS 131 -13.094 22.921 -7.260 1123 HE2 HIS 131 HE2 HIS 131 -14.596 21.663 -5.689 1124 H HIS 132 H HIS 132 -8.212 20.046 -6.394 1125 HA HIS 132 HA HIS 132 -9.437 19.416 -8.977 1126 HB2 HIS 132 2HB HIS 132 -8.560 21.705 -8.636 1127 HB3 HIS 132 3HB HIS 132 -6.949 21.064 -8.313 1128 HD1 HIS 132 HD1 HIS 132 -9.484 21.283 -11.141 1129 HD2 HIS 132 HD2 HIS 132 -5.401 20.714 -10.589 1130 HE1 HIS 132 HE1 HIS 132 -8.478 21.302 -13.440 1131 HE2 HIS 132 HE2 HIS 132 -6.008 21.074 -13.068 1132 H HIS 133 H HIS 133 -6.026 19.290 -7.917 1133 HA HIS 133 HA HIS 133 -5.433 16.596 -8.288 1134 HB2 HIS 133 2HB HIS 133 -6.191 17.114 -10.693 1135 HB3 HIS 133 3HB HIS 133 -4.823 18.210 -10.823 1136 HD1 HIS 133 HD1 HIS 133 -2.673 17.174 -11.650 1137 HD2 HIS 133 HD2 HIS 133 -5.354 14.337 -10.222 1138 HE1 HIS 133 HE1 HIS 133 -1.657 14.939 -12.198 1139 HE2 HIS 133 HE2 HIS 133 -3.413 13.267 -11.520 1140 H HIS 134 H HIS 134 -3.094 16.236 -8.202 1141 HA HIS 134 HA HIS 134 -1.456 18.655 -7.769 1142 HB2 HIS 134 2HB HIS 134 -1.363 16.890 -5.964 1143 HB3 HIS 134 3HB HIS 134 -0.696 15.751 -7.134 1144 HD1 HIS 134 HD1 HIS 134 1.720 16.318 -8.060 1145 HD2 HIS 134 HD2 HIS 134 0.478 18.699 -4.895 1146 HE1 HIS 134 HE1 HIS 134 3.770 17.545 -7.294 1147 HE2 HIS 134 HE2 HIS 134 2.945 19.136 -5.533 Start of MODEL 11 1 H1 MET 1 1H MET 1 2.926 16.221 -1.942 2 H2 MET 1 2H MET 1 1.317 16.698 -2.097 3 H3 MET 1 3H MET 1 1.862 15.320 -2.898 4 HA MET 1 HA MET 1 1.683 15.694 0.027 5 HB2 MET 1 2HB MET 1 0.038 13.963 -1.871 6 HB3 MET 1 3HB MET 1 -0.070 13.886 -0.117 7 HG2 MET 1 2HG MET 1 -0.896 16.187 -0.044 8 HG3 MET 1 3HG MET 1 -0.729 16.318 -1.796 9 HE1 MET 1 1HE MET 1 -3.779 13.529 0.283 10 HE2 MET 1 2HE MET 1 -2.714 14.618 1.165 11 HE3 MET 1 3HE MET 1 -2.043 13.221 0.320 12 H GLY 2 H GLY 2 2.031 13.130 -2.492 13 HA2 GLY 2 2HA GLY 2 3.504 11.343 -2.615 14 HA3 GLY 2 3HA GLY 2 4.346 11.945 -1.190 15 H THR 3 H THR 3 0.915 11.263 -1.528 16 HA THR 3 HA THR 3 0.553 9.812 0.834 17 HB THR 3 HB THR 3 -1.122 9.818 -1.719 18 HG1 THR 3 HG1 THR 3 -1.169 11.403 0.630 19 HG21 THR 3 1HG2 THR 3 -1.955 8.995 1.082 20 HG22 THR 3 2HG2 THR 3 -1.814 7.922 -0.312 21 HG23 THR 3 3HG2 THR 3 -3.043 9.189 -0.294 22 H VAL 4 H VAL 4 1.333 7.826 1.341 23 HA VAL 4 HA VAL 4 2.237 6.001 -0.804 24 HB VAL 4 HB VAL 4 3.026 5.996 2.155 25 HG11 VAL 4 1HG1 VAL 4 3.254 3.783 1.100 26 HG12 VAL 4 2HG1 VAL 4 4.838 4.472 1.458 27 HG13 VAL 4 3HG1 VAL 4 4.225 4.484 -0.198 28 HG21 VAL 4 1HG2 VAL 4 3.840 8.042 1.060 29 HG22 VAL 4 2HG2 VAL 4 4.580 7.087 -0.224 30 HG23 VAL 4 3HG2 VAL 4 5.186 6.961 1.430 31 H VAL 5 H VAL 5 0.923 4.339 -1.227 32 HA VAL 5 HA VAL 5 -0.819 3.179 0.859 33 HB VAL 5 HB VAL 5 -1.030 2.946 -2.189 34 HG11 VAL 5 1HG1 VAL 5 -2.941 1.958 -0.036 35 HG12 VAL 5 2HG1 VAL 5 -1.924 0.954 -1.071 36 HG13 VAL 5 3HG1 VAL 5 -3.234 1.900 -1.776 37 HG21 VAL 5 1HG2 VAL 5 -1.554 5.232 -1.419 38 HG22 VAL 5 2HG2 VAL 5 -2.742 4.591 -0.282 39 HG23 VAL 5 3HG2 VAL 5 -3.001 4.417 -2.019 40 H ILE 6 H ILE 6 0.134 1.426 1.772 41 HA ILE 6 HA ILE 6 2.098 -0.190 0.291 42 HB ILE 6 HB ILE 6 1.317 -0.231 3.248 43 HG12 ILE 6 2HG1 ILE 6 2.485 1.851 2.637 44 HG13 ILE 6 3HG1 ILE 6 3.539 0.845 3.624 45 HG21 ILE 6 1HG2 ILE 6 3.324 -1.655 3.583 46 HG22 ILE 6 2HG2 ILE 6 3.561 -1.735 1.835 47 HG23 ILE 6 3HG2 ILE 6 2.119 -2.444 2.565 48 HD11 ILE 6 1HD1 ILE 6 3.680 1.171 0.626 49 HD12 ILE 6 2HD1 ILE 6 4.733 0.132 1.591 50 HD13 ILE 6 3HD1 ILE 6 4.767 1.880 1.818 51 H VAL 7 H VAL 7 1.051 -1.609 -0.989 52 HA VAL 7 HA VAL 7 -1.210 -3.193 0.058 53 HB VAL 7 HB VAL 7 -0.292 -2.907 -2.847 54 HG11 VAL 7 1HG1 VAL 7 -2.440 -3.994 -3.407 55 HG12 VAL 7 2HG1 VAL 7 -2.803 -4.186 -1.691 56 HG13 VAL 7 3HG1 VAL 7 -1.438 -5.046 -2.406 57 HG21 VAL 7 1HG2 VAL 7 -2.636 -1.572 -1.441 58 HG22 VAL 7 2HG2 VAL 7 -2.272 -1.475 -3.166 59 HG23 VAL 7 3HG2 VAL 7 -1.161 -0.771 -1.991 60 H VAL 8 H VAL 8 -0.461 -4.922 1.025 61 HA VAL 8 HA VAL 8 1.712 -6.557 -0.123 62 HB VAL 8 HB VAL 8 0.536 -6.566 2.703 63 HG11 VAL 8 1HG1 VAL 8 2.902 -8.129 1.611 64 HG12 VAL 8 2HG1 VAL 8 1.338 -8.797 2.081 65 HG13 VAL 8 3HG1 VAL 8 2.392 -8.081 3.300 66 HG21 VAL 8 1HG2 VAL 8 3.213 -5.480 1.757 67 HG22 VAL 8 2HG2 VAL 8 2.669 -5.558 3.434 68 HG23 VAL 8 3HG2 VAL 8 1.831 -4.518 2.282 69 H SER 9 H SER 9 1.022 -8.362 -1.163 70 HA SER 9 HA SER 9 -1.274 -9.861 -0.079 71 HB2 SER 9 2HB SER 9 -2.100 -8.691 -2.120 72 HB3 SER 9 3HB SER 9 -0.782 -9.398 -3.052 73 HG SER 9 HG SER 9 -2.954 -10.741 -1.816 74 H ARG 10 H ARG 10 -1.086 -12.107 -0.339 75 HA ARG 10 HA ARG 10 1.651 -13.104 -0.425 76 HB2 ARG 10 2HB ARG 10 -0.100 -13.750 1.290 77 HB3 ARG 10 3HB ARG 10 -0.968 -14.595 0.018 78 HG2 ARG 10 2HG ARG 10 0.935 -16.161 -0.240 79 HG3 ARG 10 3HG ARG 10 1.812 -15.303 1.031 80 HD2 ARG 10 2HD ARG 10 -0.127 -15.820 2.582 81 HD3 ARG 10 3HD ARG 10 -0.784 -16.844 1.305 82 HE ARG 10 HE ARG 10 1.800 -17.724 1.765 83 HH11 ARG 10 1HH1 ARG 10 -1.197 -17.461 3.581 84 HH12 ARG 10 2HH1 ARG 10 -0.840 -18.815 4.609 85 HH21 ARG 10 1HH2 ARG 10 2.276 -19.485 3.153 86 HH22 ARG 10 2HH2 ARG 10 1.125 -19.955 4.360 87 H ASP 11 H ASP 11 -0.430 -12.382 -2.813 88 HA ASP 11 HA ASP 11 0.676 -14.339 -4.685 89 HB2 ASP 11 2HB ASP 11 -1.474 -15.306 -3.999 90 HB3 ASP 11 3HB ASP 11 -2.303 -13.790 -4.326 91 H GLU 12 H GLU 12 1.244 -13.408 -6.580 92 HA GLU 12 HA GLU 12 1.057 -10.550 -6.885 93 HB2 GLU 12 2HB GLU 12 2.330 -12.664 -8.655 94 HB3 GLU 12 3HB GLU 12 2.402 -10.934 -8.985 95 HG2 GLU 12 2HG GLU 12 3.480 -10.676 -6.684 96 HG3 GLU 12 3HG GLU 12 3.634 -12.431 -6.672 97 H ARG 13 H ARG 13 -0.760 -13.231 -8.140 98 HA ARG 13 HA ARG 13 -1.715 -11.968 -10.532 99 HB2 ARG 13 2HB ARG 13 -3.106 -14.163 -8.947 100 HB3 ARG 13 3HB ARG 13 -3.397 -13.736 -10.629 101 HG2 ARG 13 2HG ARG 13 -1.142 -14.526 -11.227 102 HG3 ARG 13 3HG ARG 13 -0.832 -14.932 -9.536 103 HD2 ARG 13 2HD ARG 13 -2.736 -16.539 -9.604 104 HD3 ARG 13 3HD ARG 13 -2.961 -16.168 -11.319 105 HE ARG 13 HE ARG 13 -0.320 -16.942 -11.043 106 HH11 ARG 13 1HH1 ARG 13 -3.453 -18.450 -10.470 107 HH12 ARG 13 2HH1 ARG 13 -2.869 -20.056 -10.781 108 HH21 ARG 13 1HH2 ARG 13 0.429 -19.048 -11.455 109 HH22 ARG 13 2HH2 ARG 13 -0.666 -20.392 -11.339 110 H ILE 14 H ILE 14 -2.721 -11.978 -7.152 111 HA ILE 14 HA ILE 14 -5.092 -10.408 -7.501 112 HB ILE 14 HB ILE 14 -3.333 -10.801 -5.026 113 HG12 ILE 14 2HG1 ILE 14 -5.951 -12.132 -5.883 114 HG13 ILE 14 3HG1 ILE 14 -4.371 -12.899 -5.811 115 HG21 ILE 14 1HG2 ILE 14 -5.231 -9.910 -3.707 116 HG22 ILE 14 2HG2 ILE 14 -6.107 -9.554 -5.195 117 HG23 ILE 14 3HG2 ILE 14 -4.610 -8.697 -4.829 118 HD11 ILE 14 1HD1 ILE 14 -5.978 -11.910 -3.457 119 HD12 ILE 14 2HD1 ILE 14 -4.368 -12.631 -3.371 120 HD13 ILE 14 3HD1 ILE 14 -5.730 -13.585 -3.952 121 H LEU 15 H LEU 15 -1.686 -9.647 -6.715 122 HA LEU 15 HA LEU 15 -1.915 -6.883 -6.318 123 HB2 LEU 15 2HB LEU 15 0.441 -8.539 -7.284 124 HB3 LEU 15 3HB LEU 15 0.575 -6.829 -6.915 125 HG LEU 15 HG LEU 15 -0.273 -8.931 -4.882 126 HD11 LEU 15 1HD1 LEU 15 1.972 -8.741 -3.932 127 HD12 LEU 15 2HD1 LEU 15 2.456 -7.653 -5.237 128 HD13 LEU 15 3HD1 LEU 15 2.037 -9.331 -5.592 129 HD21 LEU 15 1HD2 LEU 15 -1.116 -6.694 -4.353 130 HD22 LEU 15 2HD2 LEU 15 0.505 -6.014 -4.515 131 HD23 LEU 15 3HD2 LEU 15 0.151 -7.161 -3.219 132 H GLU 16 H GLU 16 -1.599 -8.684 -9.374 133 HA GLU 16 HA GLU 16 -0.983 -6.380 -10.978 134 HB2 GLU 16 2HB GLU 16 -1.221 -7.811 -12.925 135 HB3 GLU 16 3HB GLU 16 -0.351 -8.701 -11.679 136 HG2 GLU 16 2HG GLU 16 -2.415 -9.921 -11.101 137 HG3 GLU 16 3HG GLU 16 -3.289 -9.025 -12.342 138 H GLU 17 H GLU 17 -3.982 -8.037 -10.048 139 HA GLU 17 HA GLU 17 -5.765 -6.609 -11.746 140 HB2 GLU 17 2HB GLU 17 -6.313 -7.816 -8.994 141 HB3 GLU 17 3HB GLU 17 -7.541 -7.299 -10.143 142 HG2 GLU 17 2HG GLU 17 -5.565 -9.553 -10.535 143 HG3 GLU 17 3HG GLU 17 -7.281 -9.720 -10.175 144 H LEU 18 H LEU 18 -4.689 -6.128 -8.408 145 HA LEU 18 HA LEU 18 -6.083 -3.748 -7.818 146 HB2 LEU 18 2HB LEU 18 -3.481 -4.804 -6.633 147 HB3 LEU 18 3HB LEU 18 -4.495 -3.569 -5.910 148 HG LEU 18 HG LEU 18 -5.199 -6.505 -6.265 149 HD11 LEU 18 1HD1 LEU 18 -4.741 -4.899 -3.734 150 HD12 LEU 18 2HD1 LEU 18 -3.638 -6.091 -4.423 151 HD13 LEU 18 3HD1 LEU 18 -5.213 -6.598 -3.818 152 HD21 LEU 18 1HD2 LEU 18 -7.199 -5.164 -6.634 153 HD22 LEU 18 2HD2 LEU 18 -6.929 -4.300 -5.119 154 HD23 LEU 18 3HD2 LEU 18 -7.302 -6.025 -5.099 155 H LEU 19 H LEU 19 -3.039 -4.386 -9.402 156 HA LEU 19 HA LEU 19 -1.892 -1.801 -9.389 157 HB2 LEU 19 2HB LEU 19 -0.588 -3.829 -9.885 158 HB3 LEU 19 3HB LEU 19 -1.545 -4.126 -11.325 159 HG LEU 19 HG LEU 19 -0.604 -2.076 -12.379 160 HD11 LEU 19 1HD1 LEU 19 1.069 -1.844 -9.865 161 HD12 LEU 19 2HD1 LEU 19 -0.193 -0.729 -10.399 162 HD13 LEU 19 3HD1 LEU 19 1.284 -0.900 -11.341 163 HD21 LEU 19 1HD2 LEU 19 1.658 -2.912 -12.760 164 HD22 LEU 19 2HD2 LEU 19 0.496 -4.235 -12.757 165 HD23 LEU 19 3HD2 LEU 19 1.529 -3.969 -11.350 166 H GLU 20 H GLU 20 -3.911 -3.546 -11.748 167 HA GLU 20 HA GLU 20 -4.063 -1.545 -13.728 168 HB2 GLU 20 2HB GLU 20 -6.035 -3.779 -13.073 169 HB3 GLU 20 3HB GLU 20 -6.102 -2.789 -14.528 170 HG2 GLU 20 2HG GLU 20 -3.889 -3.634 -15.221 171 HG3 GLU 20 3HG GLU 20 -3.809 -4.628 -13.766 172 H VAL 21 H VAL 21 -5.983 -2.154 -10.831 173 HA VAL 21 HA VAL 21 -8.179 -0.485 -11.255 174 HB VAL 21 HB VAL 21 -6.796 -1.206 -8.624 175 HG11 VAL 21 1HG1 VAL 21 -9.570 -0.013 -9.012 176 HG12 VAL 21 2HG1 VAL 21 -8.180 0.796 -8.283 177 HG13 VAL 21 3HG1 VAL 21 -8.903 -0.599 -7.484 178 HG21 VAL 21 1HG2 VAL 21 -7.639 -3.159 -9.868 179 HG22 VAL 21 2HG2 VAL 21 -9.242 -2.434 -9.961 180 HG23 VAL 21 3HG2 VAL 21 -8.575 -2.909 -8.396 181 H VAL 22 H VAL 22 -4.956 0.290 -9.908 182 HA VAL 22 HA VAL 22 -5.414 3.022 -9.293 183 HB VAL 22 HB VAL 22 -2.764 1.786 -10.198 184 HG11 VAL 22 1HG1 VAL 22 -1.704 3.658 -8.968 185 HG12 VAL 22 2HG1 VAL 22 -3.288 4.317 -8.583 186 HG13 VAL 22 3HG1 VAL 22 -2.748 4.258 -10.259 187 HG21 VAL 22 1HG2 VAL 22 -3.870 2.031 -7.376 188 HG22 VAL 22 2HG2 VAL 22 -2.256 1.455 -7.803 189 HG23 VAL 22 3HG2 VAL 22 -3.681 0.535 -8.292 190 H LEU 23 H LEU 23 -4.217 1.381 -12.200 191 HA LEU 23 HA LEU 23 -3.583 3.677 -13.734 192 HB2 LEU 23 2HB LEU 23 -4.259 0.887 -14.752 193 HB3 LEU 23 3HB LEU 23 -3.367 2.123 -15.627 194 HG LEU 23 HG LEU 23 -2.411 0.684 -13.120 195 HD11 LEU 23 1HD1 LEU 23 -1.463 0.401 -15.983 196 HD12 LEU 23 2HD1 LEU 23 -2.383 -0.785 -15.056 197 HD13 LEU 23 3HD1 LEU 23 -0.741 -0.375 -14.571 198 HD21 LEU 23 1HD2 LEU 23 -0.247 1.794 -13.472 199 HD22 LEU 23 2HD2 LEU 23 -1.531 2.955 -13.141 200 HD23 LEU 23 3HD2 LEU 23 -0.941 2.744 -14.791 201 H LYS 24 H LYS 24 -6.605 1.952 -13.234 202 HA LYS 24 HA LYS 24 -8.055 3.076 -15.462 203 HB2 LYS 24 2HB LYS 24 -9.178 1.919 -12.857 204 HB3 LYS 24 3HB LYS 24 -10.079 2.196 -14.340 205 HG2 LYS 24 2HG LYS 24 -7.875 0.171 -13.930 206 HG3 LYS 24 3HG LYS 24 -9.595 -0.172 -14.048 207 HD2 LYS 24 2HD LYS 24 -9.604 0.547 -16.396 208 HD3 LYS 24 3HD LYS 24 -7.901 1.006 -16.288 209 HE2 LYS 24 2HE LYS 24 -7.240 -1.311 -15.959 210 HE3 LYS 24 3HE LYS 24 -8.928 -1.825 -15.866 211 HZ1 LYS 24 1HZ LYS 24 -7.642 -0.619 -18.260 212 HZ2 LYS 24 2HZ LYS 24 -9.232 -1.187 -18.163 213 HZ3 LYS 24 3HZ LYS 24 -7.938 -2.269 -18.038 214 H SER 25 H SER 25 -7.548 3.891 -12.070 215 HA SER 25 HA SER 25 -9.596 5.909 -11.931 216 HB2 SER 25 2HB SER 25 -7.358 5.275 -9.966 217 HB3 SER 25 3HB SER 25 -8.804 6.230 -9.629 218 HG SER 25 HG SER 25 -8.467 3.518 -9.669 219 H ASP 26 H ASP 26 -6.000 6.033 -11.714 220 HA ASP 26 HA ASP 26 -5.853 8.631 -12.959 221 HB2 ASP 26 2HB ASP 26 -6.514 9.244 -10.636 222 HB3 ASP 26 3HB ASP 26 -5.133 8.356 -9.998 223 HA PRO 27 HA PRO 27 -1.812 6.691 -13.715 224 HB2 PRO 27 2HB PRO 27 -0.987 8.198 -15.773 225 HB3 PRO 27 3HB PRO 27 -2.428 7.174 -15.934 226 HG2 PRO 27 2HG PRO 27 -2.277 10.130 -15.472 227 HG3 PRO 27 3HG PRO 27 -3.360 9.217 -16.546 228 HD2 PRO 27 2HD PRO 27 -4.033 10.111 -13.975 229 HD3 PRO 27 3HD PRO 27 -4.878 8.826 -14.862 230 H ASN 28 H ASN 28 -2.263 9.866 -12.425 231 HA ASN 28 HA ASN 28 0.525 10.652 -12.329 232 HB2 ASN 28 2HB ASN 28 -1.975 11.806 -11.021 233 HB3 ASN 28 3HB ASN 28 -0.365 12.467 -10.746 234 HD21 ASN 28 1HD2 ASN 28 0.677 13.591 -12.412 235 HD22 ASN 28 2HD2 ASN 28 -0.159 14.110 -13.836 236 H VAL 29 H VAL 29 -1.778 9.064 -10.162 237 HA VAL 29 HA VAL 29 -0.021 8.804 -7.934 238 HB VAL 29 HB VAL 29 -2.234 6.872 -8.798 239 HG11 VAL 29 1HG1 VAL 29 -0.669 5.846 -7.199 240 HG12 VAL 29 2HG1 VAL 29 -2.235 6.126 -6.437 241 HG13 VAL 29 3HG1 VAL 29 -0.881 7.206 -6.091 242 HG21 VAL 29 1HG2 VAL 29 -2.394 9.215 -6.872 243 HG22 VAL 29 2HG2 VAL 29 -3.679 8.042 -7.167 244 HG23 VAL 29 3HG2 VAL 29 -3.154 9.117 -8.462 245 H LYS 30 H LYS 30 1.967 8.062 -8.312 246 HA LYS 30 HA LYS 30 2.753 6.284 -10.353 247 HB2 LYS 30 2HB LYS 30 4.283 7.925 -9.273 248 HB3 LYS 30 3HB LYS 30 4.224 7.002 -7.775 249 HG2 LYS 30 2HG LYS 30 6.309 6.646 -9.140 250 HG3 LYS 30 3HG LYS 30 5.426 5.158 -8.777 251 HD2 LYS 30 2HD LYS 30 4.438 5.162 -11.023 252 HD3 LYS 30 3HD LYS 30 5.209 6.704 -11.390 253 HE2 LYS 30 2HE LYS 30 6.765 4.190 -10.737 254 HE3 LYS 30 3HE LYS 30 6.305 4.654 -12.376 255 HZ1 LYS 30 1HZ LYS 30 8.527 5.371 -11.865 256 HZ2 LYS 30 2HZ LYS 30 7.978 6.258 -10.535 257 HZ3 LYS 30 3HZ LYS 30 7.521 6.713 -12.097 258 H THR 31 H THR 31 3.197 4.069 -10.325 259 HA THR 31 HA THR 31 2.614 2.576 -7.828 260 HB THR 31 HB THR 31 1.926 0.665 -9.401 261 HG1 THR 31 HG1 THR 31 1.707 1.062 -11.486 262 HG21 THR 31 1HG2 THR 31 0.261 1.924 -8.090 263 HG22 THR 31 2HG2 THR 31 -0.372 1.454 -9.669 264 HG23 THR 31 3HG2 THR 31 0.145 3.116 -9.387 265 H VAL 32 H VAL 32 4.101 1.167 -7.206 266 HA VAL 32 HA VAL 32 6.289 0.364 -9.018 267 HB VAL 32 HB VAL 32 6.648 1.304 -6.127 268 HG11 VAL 32 1HG1 VAL 32 9.048 0.854 -6.413 269 HG12 VAL 32 2HG1 VAL 32 8.764 0.236 -8.039 270 HG13 VAL 32 3HG1 VAL 32 8.118 -0.627 -6.643 271 HG21 VAL 32 1HG2 VAL 32 8.045 3.104 -7.100 272 HG22 VAL 32 2HG2 VAL 32 6.390 3.174 -7.707 273 HG23 VAL 32 3HG2 VAL 32 7.673 2.516 -8.722 274 H ARG 33 H ARG 33 6.028 -1.731 -9.244 275 HA ARG 33 HA ARG 33 4.987 -3.443 -7.086 276 HB2 ARG 33 2HB ARG 33 3.911 -3.637 -9.305 277 HB3 ARG 33 3HB ARG 33 5.468 -3.978 -10.050 278 HG2 ARG 33 2HG ARG 33 5.614 -6.105 -8.808 279 HG3 ARG 33 3HG ARG 33 4.067 -5.760 -8.026 280 HD2 ARG 33 2HD ARG 33 2.889 -5.892 -10.137 281 HD3 ARG 33 3HD ARG 33 4.410 -5.988 -11.035 282 HE ARG 33 HE ARG 33 4.389 -8.137 -9.271 283 HH11 ARG 33 1HH1 ARG 33 2.466 -7.053 -12.019 284 HH12 ARG 33 2HH1 ARG 33 2.039 -8.659 -12.510 285 HH21 ARG 33 1HH2 ARG 33 3.902 -10.227 -9.991 286 HH22 ARG 33 2HH2 ARG 33 2.854 -10.456 -11.355 287 H THR 34 H THR 34 6.710 -3.633 -5.765 288 HA THR 34 HA THR 34 9.337 -4.504 -6.825 289 HB THR 34 HB THR 34 9.546 -2.231 -6.004 290 HG1 THR 34 HG1 THR 34 10.785 -2.908 -3.848 291 HG21 THR 34 1HG2 THR 34 7.535 -2.115 -4.582 292 HG22 THR 34 2HG2 THR 34 8.967 -1.550 -3.720 293 HG23 THR 34 3HG2 THR 34 8.314 -3.156 -3.387 294 H ASP 35 H ASP 35 10.619 -5.708 -5.284 295 HA ASP 35 HA ASP 35 9.059 -7.599 -3.625 296 HB2 ASP 35 2HB ASP 35 10.246 -8.511 -5.657 297 HB3 ASP 35 3HB ASP 35 11.776 -7.974 -4.978 298 H ASP 36 H ASP 36 11.530 -5.190 -3.679 299 HA ASP 36 HA ASP 36 12.687 -5.952 -1.071 300 HB2 ASP 36 2HB ASP 36 14.361 -5.759 -2.792 301 HB3 ASP 36 3HB ASP 36 13.710 -4.224 -3.356 302 H LYS 37 H LYS 37 12.669 -4.583 0.655 303 HA LYS 37 HA LYS 37 10.662 -2.515 0.763 304 HB2 LYS 37 2HB LYS 37 11.139 -2.451 3.181 305 HB3 LYS 37 3HB LYS 37 10.885 -4.088 2.606 306 HG2 LYS 37 2HG LYS 37 13.360 -4.432 2.598 307 HG3 LYS 37 3HG LYS 37 13.546 -2.821 3.298 308 HD2 LYS 37 2HD LYS 37 12.173 -3.540 5.259 309 HD3 LYS 37 3HD LYS 37 12.062 -5.162 4.566 310 HE2 LYS 37 2HE LYS 37 13.785 -5.078 6.302 311 HE3 LYS 37 3HE LYS 37 14.523 -5.395 4.732 312 HZ1 LYS 37 1HZ LYS 37 14.403 -2.739 6.053 313 HZ2 LYS 37 2HZ LYS 37 15.186 -3.098 4.601 314 HZ3 LYS 37 3HZ LYS 37 15.751 -3.757 6.049 315 H GLU 38 H GLU 38 14.151 -2.549 0.523 316 HA GLU 38 HA GLU 38 14.585 0.152 1.401 317 HB2 GLU 38 2HB GLU 38 16.375 -1.628 -0.302 318 HB3 GLU 38 3HB GLU 38 16.870 -0.148 0.508 319 HG2 GLU 38 2HG GLU 38 16.014 -2.735 1.821 320 HG3 GLU 38 3HG GLU 38 17.639 -2.056 1.768 321 H LYS 39 H LYS 39 14.100 -1.446 -1.692 322 HA LYS 39 HA LYS 39 14.342 0.662 -3.485 323 HB2 LYS 39 2HB LYS 39 14.025 -1.650 -4.225 324 HB3 LYS 39 3HB LYS 39 12.438 -1.722 -3.473 325 HG2 LYS 39 2HG LYS 39 12.264 -1.517 -5.909 326 HG3 LYS 39 3HG LYS 39 11.555 -0.121 -5.099 327 HD2 LYS 39 2HD LYS 39 13.532 1.230 -5.622 328 HD3 LYS 39 3HD LYS 39 14.338 -0.169 -6.339 329 HE2 LYS 39 2HE LYS 39 12.726 -0.240 -8.151 330 HE3 LYS 39 3HE LYS 39 11.733 0.999 -7.379 331 HZ1 LYS 39 1HZ LYS 39 13.454 2.608 -7.725 332 HZ2 LYS 39 2HZ LYS 39 13.123 1.854 -9.203 333 HZ3 LYS 39 3HZ LYS 39 14.513 1.442 -8.334 334 H VAL 40 H VAL 40 11.593 -0.316 -1.433 335 HA VAL 40 HA VAL 40 9.646 1.445 -2.421 336 HB VAL 40 HB VAL 40 9.857 0.436 0.454 337 HG11 VAL 40 1HG1 VAL 40 7.446 1.385 -1.141 338 HG12 VAL 40 2HG1 VAL 40 8.204 2.232 0.208 339 HG13 VAL 40 3HG1 VAL 40 7.388 0.692 0.480 340 HG21 VAL 40 1HG2 VAL 40 8.501 -0.895 -1.912 341 HG22 VAL 40 2HG2 VAL 40 8.458 -1.459 -0.240 342 HG23 VAL 40 3HG2 VAL 40 9.982 -1.441 -1.126 343 H LYS 41 H LYS 41 12.002 1.828 0.242 344 HA LYS 41 HA LYS 41 11.101 4.275 1.293 345 HB2 LYS 41 2HB LYS 41 13.910 3.097 1.259 346 HB3 LYS 41 3HB LYS 41 13.438 4.493 2.227 347 HG2 LYS 41 2HG LYS 41 11.899 3.170 3.527 348 HG3 LYS 41 3HG LYS 41 12.142 1.766 2.480 349 HD2 LYS 41 2HD LYS 41 14.484 1.602 3.198 350 HD3 LYS 41 3HD LYS 41 14.307 3.052 4.192 351 HE2 LYS 41 2HE LYS 41 12.739 1.920 5.653 352 HE3 LYS 41 3HE LYS 41 12.719 0.500 4.602 353 HZ1 LYS 41 1HZ LYS 41 14.136 0.135 6.487 354 HZ2 LYS 41 2HZ LYS 41 15.062 1.503 6.132 355 HZ3 LYS 41 3HZ LYS 41 15.074 0.176 5.082 356 H GLU 42 H GLU 42 13.373 3.596 -1.328 357 HA GLU 42 HA GLU 42 14.166 6.261 -1.907 358 HB2 GLU 42 2HB GLU 42 13.990 3.849 -3.770 359 HB3 GLU 42 3HB GLU 42 14.836 5.352 -4.135 360 HG2 GLU 42 2HG GLU 42 16.383 4.950 -2.257 361 HG3 GLU 42 3HG GLU 42 15.536 3.448 -1.881 362 H GLU 43 H GLU 43 11.625 4.150 -3.255 363 HA GLU 43 HA GLU 43 10.599 5.989 -5.136 364 HB2 GLU 43 2HB GLU 43 9.227 3.584 -3.852 365 HB3 GLU 43 3HB GLU 43 8.669 4.432 -5.288 366 HG2 GLU 43 2HG GLU 43 11.201 2.817 -5.001 367 HG3 GLU 43 3HG GLU 43 9.781 2.411 -5.957 368 H ILE 44 H ILE 44 9.914 5.537 -1.736 369 HA ILE 44 HA ILE 44 7.523 7.002 -1.447 370 HB ILE 44 HB ILE 44 9.833 6.412 0.464 371 HG12 ILE 44 2HG1 ILE 44 6.936 5.444 0.442 372 HG13 ILE 44 3HG1 ILE 44 8.323 4.526 -0.121 373 HG21 ILE 44 1HG2 ILE 44 8.534 7.338 2.351 374 HG22 ILE 44 2HG2 ILE 44 7.332 7.950 1.216 375 HG23 ILE 44 3HG2 ILE 44 8.974 8.589 1.181 376 HD11 ILE 44 1HD1 ILE 44 7.782 5.371 2.721 377 HD12 ILE 44 2HD1 ILE 44 9.214 4.500 2.167 378 HD13 ILE 44 3HD1 ILE 44 7.625 3.749 2.043 379 H GLU 45 H GLU 45 10.953 7.940 -1.194 380 HA GLU 45 HA GLU 45 10.470 10.740 -0.887 381 HB2 GLU 45 2HB GLU 45 12.998 9.184 -1.592 382 HB3 GLU 45 3HB GLU 45 12.964 10.924 -1.327 383 HG2 GLU 45 2HG GLU 45 12.305 8.776 0.690 384 HG3 GLU 45 3HG GLU 45 13.719 9.830 0.684 385 H LYS 46 H LYS 46 10.969 8.655 -3.661 386 HA LYS 46 HA LYS 46 11.702 10.746 -5.496 387 HB2 LYS 46 2HB LYS 46 11.038 7.794 -5.837 388 HB3 LYS 46 3HB LYS 46 11.359 8.838 -7.221 389 HG2 LYS 46 2HG LYS 46 13.611 9.282 -6.487 390 HG3 LYS 46 3HG LYS 46 13.305 8.547 -4.915 391 HD2 LYS 46 2HD LYS 46 14.659 7.030 -6.208 392 HD3 LYS 46 3HD LYS 46 13.053 6.326 -6.039 393 HE2 LYS 46 2HE LYS 46 13.852 7.875 -8.517 394 HE3 LYS 46 3HE LYS 46 14.219 6.161 -8.336 395 HZ1 LYS 46 1HZ LYS 46 11.519 7.381 -8.312 396 HZ2 LYS 46 2HZ LYS 46 11.845 5.746 -8.029 397 HZ3 LYS 46 3HZ LYS 46 12.191 6.429 -9.533 398 H ALA 47 H ALA 47 8.688 9.176 -4.558 399 HA ALA 47 HA ALA 47 7.106 10.579 -6.572 400 HB1 ALA 47 1HB ALA 47 6.393 8.359 -5.784 401 HB2 ALA 47 2HB ALA 47 5.166 9.577 -5.441 402 HB3 ALA 47 3HB ALA 47 6.208 8.981 -4.145 403 H ARG 48 H ARG 48 7.888 10.862 -3.140 404 HA ARG 48 HA ARG 48 6.129 12.894 -2.332 405 HB2 ARG 48 2HB ARG 48 7.398 11.497 -0.772 406 HB3 ARG 48 3HB ARG 48 8.916 12.168 -1.349 407 HG2 ARG 48 2HG ARG 48 8.246 14.383 -0.401 408 HG3 ARG 48 3HG ARG 48 6.785 13.627 0.245 409 HD2 ARG 48 2HD ARG 48 8.123 12.125 1.629 410 HD3 ARG 48 3HD ARG 48 9.616 12.746 0.913 411 HE ARG 48 HE ARG 48 8.000 14.762 2.200 412 HH11 ARG 48 1HH1 ARG 48 10.505 12.342 2.698 413 HH12 ARG 48 2HH1 ARG 48 11.125 13.103 4.129 414 HH21 ARG 48 1HH2 ARG 48 8.803 15.751 4.096 415 HH22 ARG 48 2HH2 ARG 48 10.157 15.046 4.923 416 H LYS 49 H LYS 49 9.426 13.125 -3.674 417 HA LYS 49 HA LYS 49 9.637 15.983 -3.487 418 HB2 LYS 49 2HB LYS 49 11.713 15.768 -4.721 419 HB3 LYS 49 3HB LYS 49 11.623 14.474 -3.537 420 HG2 LYS 49 2HG LYS 49 10.807 12.965 -5.441 421 HG3 LYS 49 3HG LYS 49 11.262 14.267 -6.539 422 HD2 LYS 49 2HD LYS 49 13.142 12.827 -4.626 423 HD3 LYS 49 3HD LYS 49 13.029 12.544 -6.361 424 HE2 LYS 49 2HE LYS 49 13.842 14.802 -6.821 425 HE3 LYS 49 3HE LYS 49 13.847 15.179 -5.094 426 HZ1 LYS 49 1HZ LYS 49 15.569 13.579 -4.734 427 HZ2 LYS 49 2HZ LYS 49 16.062 14.578 -6.007 428 HZ3 LYS 49 3HZ LYS 49 15.481 13.024 -6.324 429 H GLN 50 H GLN 50 8.222 13.840 -5.776 430 HA GLN 50 HA GLN 50 7.919 15.852 -7.883 431 HB2 GLN 50 2HB GLN 50 6.943 12.970 -7.651 432 HB3 GLN 50 3HB GLN 50 6.676 13.992 -9.057 433 HG2 GLN 50 2HG GLN 50 9.387 13.135 -8.015 434 HG3 GLN 50 3HG GLN 50 8.542 12.412 -9.381 435 HE21 GLN 50 1HE2 GLN 50 10.186 15.262 -8.225 436 HE22 GLN 50 2HE2 GLN 50 10.426 15.988 -9.770 437 H GLY 51 H GLY 51 6.364 15.005 -5.012 438 HA2 GLY 51 2HA GLY 51 4.497 16.020 -4.061 439 HA3 GLY 51 3HA GLY 51 3.969 16.555 -5.652 440 H ARG 52 H ARG 52 4.130 14.066 -6.963 441 HA ARG 52 HA ARG 52 1.539 13.182 -6.767 442 HB2 ARG 52 2HB ARG 52 2.267 11.269 -8.221 443 HB3 ARG 52 3HB ARG 52 2.785 12.850 -8.784 444 HG2 ARG 52 2HG ARG 52 5.057 12.467 -8.156 445 HG3 ARG 52 3HG ARG 52 4.626 11.039 -7.204 446 HD2 ARG 52 2HD ARG 52 5.698 10.505 -9.400 447 HD3 ARG 52 3HD ARG 52 4.091 9.790 -9.206 448 HE ARG 52 HE ARG 52 4.097 12.357 -10.537 449 HH11 ARG 52 1HH1 ARG 52 4.336 8.871 -11.060 450 HH12 ARG 52 2HH1 ARG 52 3.825 8.980 -12.715 451 HH21 ARG 52 1HH2 ARG 52 3.393 12.467 -12.666 452 HH22 ARG 52 2HH2 ARG 52 3.290 11.023 -13.624 453 HA PRO 53 HA PRO 53 1.477 9.979 -3.514 454 HB2 PRO 53 2HB PRO 53 -0.837 8.901 -5.110 455 HB3 PRO 53 3HB PRO 53 -0.776 9.402 -3.407 456 HG2 PRO 53 2HG PRO 53 -2.033 10.911 -5.189 457 HG3 PRO 53 3HG PRO 53 -1.051 11.673 -3.916 458 HD2 PRO 53 2HD PRO 53 -0.319 11.153 -6.807 459 HD3 PRO 53 3HD PRO 53 -0.109 12.635 -5.838 460 H ILE 54 H ILE 54 1.354 7.510 -3.511 461 HA ILE 54 HA ILE 54 2.190 6.161 -5.922 462 HB ILE 54 HB ILE 54 4.291 7.201 -5.137 463 HG12 ILE 54 2HG1 ILE 54 4.414 4.182 -4.744 464 HG13 ILE 54 3HG1 ILE 54 4.262 4.958 -6.317 465 HG21 ILE 54 1HG2 ILE 54 5.399 6.513 -3.044 466 HG22 ILE 54 2HG2 ILE 54 3.984 5.557 -2.602 467 HG23 ILE 54 3HG2 ILE 54 3.858 7.313 -2.720 468 HD11 ILE 54 1HD1 ILE 54 6.405 6.063 -5.996 469 HD12 ILE 54 2HD1 ILE 54 6.547 4.312 -5.857 470 HD13 ILE 54 3HD1 ILE 54 6.568 5.310 -4.406 471 H VAL 55 H VAL 55 1.688 4.041 -5.883 472 HA VAL 55 HA VAL 55 0.771 2.782 -3.372 473 HB VAL 55 HB VAL 55 -0.217 2.124 -6.198 474 HG11 VAL 55 1HG1 VAL 55 -0.326 0.222 -4.648 475 HG12 VAL 55 2HG1 VAL 55 -1.946 0.802 -5.031 476 HG13 VAL 55 3HG1 VAL 55 -1.215 1.201 -3.475 477 HG21 VAL 55 1HG2 VAL 55 -1.669 3.708 -4.045 478 HG22 VAL 55 2HG2 VAL 55 -2.340 3.212 -5.602 479 HG23 VAL 55 3HG2 VAL 55 -1.008 4.365 -5.543 480 H ILE 56 H ILE 56 2.085 1.236 -2.773 481 HA ILE 56 HA ILE 56 4.089 0.052 -4.558 482 HB ILE 56 HB ILE 56 3.847 0.040 -1.505 483 HG12 ILE 56 2HG1 ILE 56 4.257 2.330 -2.450 484 HG13 ILE 56 3HG1 ILE 56 5.592 1.755 -1.464 485 HG21 ILE 56 1HG2 ILE 56 6.172 -0.848 -3.253 486 HG22 ILE 56 2HG2 ILE 56 5.122 -1.895 -2.294 487 HG23 ILE 56 3HG2 ILE 56 6.188 -0.743 -1.492 488 HD11 ILE 56 1HD1 ILE 56 6.864 1.231 -3.498 489 HD12 ILE 56 2HD1 ILE 56 6.384 2.926 -3.433 490 HD13 ILE 56 3HD1 ILE 56 5.514 1.807 -4.481 491 H PHE 57 H PHE 57 3.995 -2.094 -5.078 492 HA PHE 57 HA PHE 57 2.009 -3.862 -3.749 493 HB2 PHE 57 2HB PHE 57 2.904 -3.874 -6.678 494 HB3 PHE 57 3HB PHE 57 1.818 -5.055 -5.947 495 HD1 PHE 57 HD1 PHE 57 -0.484 -4.420 -5.308 496 HD2 PHE 57 HD2 PHE 57 2.111 -1.627 -7.252 497 HE1 PHE 57 HE1 PHE 57 -2.404 -2.974 -5.808 498 HE2 PHE 57 HE2 PHE 57 0.173 -0.197 -7.751 499 HZ PHE 57 HZ PHE 57 -2.080 -0.867 -7.028 500 H ILE 58 H ILE 58 3.130 -5.214 -2.474 501 HA ILE 58 HA ILE 58 5.558 -6.562 -3.542 502 HB ILE 58 HB ILE 58 5.101 -6.010 -0.568 503 HG12 ILE 58 2HG1 ILE 58 6.920 -4.425 -2.448 504 HG13 ILE 58 3HG1 ILE 58 5.419 -3.834 -1.747 505 HG21 ILE 58 1HG2 ILE 58 7.595 -6.915 -2.071 506 HG22 ILE 58 2HG2 ILE 58 6.552 -7.947 -1.091 507 HG23 ILE 58 3HG2 ILE 58 7.474 -6.653 -0.329 508 HD11 ILE 58 1HD1 ILE 58 7.924 -4.561 -0.233 509 HD12 ILE 58 2HD1 ILE 58 6.404 -4.040 0.500 510 HD13 ILE 58 3HD1 ILE 58 7.297 -2.943 -0.549 511 H ARG 59 H ARG 59 5.413 -8.758 -3.572 512 HA ARG 59 HA ARG 59 3.390 -10.140 -1.946 513 HB2 ARG 59 2HB ARG 59 3.519 -10.836 -4.318 514 HB3 ARG 59 3HB ARG 59 5.227 -11.219 -4.130 515 HG2 ARG 59 2HG ARG 59 4.609 -12.992 -2.468 516 HG3 ARG 59 3HG ARG 59 2.910 -12.634 -2.767 517 HD2 ARG 59 2HD ARG 59 3.163 -13.317 -5.113 518 HD3 ARG 59 3HD ARG 59 4.884 -13.621 -4.854 519 HE ARG 59 HE ARG 59 2.635 -15.198 -3.768 520 HH11 ARG 59 1HH1 ARG 59 6.097 -14.933 -4.379 521 HH12 ARG 59 2HH1 ARG 59 6.404 -16.596 -3.985 522 HH21 ARG 59 1HH2 ARG 59 3.061 -17.366 -3.274 523 HH22 ARG 59 2HH2 ARG 59 4.688 -17.966 -3.362 524 H GLY 60 H GLY 60 3.918 -11.308 -0.206 525 HA2 GLY 60 2HA GLY 60 5.154 -12.532 1.300 526 HA3 GLY 60 3HA GLY 60 6.532 -12.445 0.217 527 H ALA 61 H ALA 61 4.891 -9.546 1.282 528 HA ALA 61 HA ALA 61 7.239 -8.627 2.719 529 HB1 ALA 61 1HB ALA 61 4.555 -7.281 2.274 530 HB2 ALA 61 2HB ALA 61 6.011 -7.036 1.313 531 HB3 ALA 61 3HB ALA 61 5.970 -6.523 3.000 532 H THR 62 H THR 62 7.419 -9.959 4.455 533 HA THR 62 HA THR 62 5.314 -10.481 6.367 534 HB THR 62 HB THR 62 7.086 -12.146 6.000 535 HG1 THR 62 HG1 THR 62 6.264 -12.316 8.037 536 HG21 THR 62 1HG2 THR 62 9.002 -10.091 7.130 537 HG22 THR 62 2HG2 THR 62 8.982 -10.685 5.470 538 HG23 THR 62 3HG2 THR 62 9.399 -11.775 6.795 539 H GLU 63 H GLU 63 6.232 -10.022 8.877 540 HA GLU 63 HA GLU 63 5.440 -7.414 9.353 541 HB2 GLU 63 2HB GLU 63 5.425 -9.240 11.069 542 HB3 GLU 63 3HB GLU 63 7.171 -9.077 11.224 543 HG2 GLU 63 2HG GLU 63 6.761 -6.639 11.884 544 HG3 GLU 63 3HG GLU 63 5.047 -7.040 11.978 545 H GLU 64 H GLU 64 8.787 -8.667 9.410 546 HA GLU 64 HA GLU 64 10.136 -6.352 10.201 547 HB2 GLU 64 2HB GLU 64 12.179 -7.391 9.271 548 HB3 GLU 64 3HB GLU 64 11.220 -8.563 10.171 549 HG2 GLU 64 2HG GLU 64 10.372 -9.529 8.119 550 HG3 GLU 64 3HG GLU 64 11.164 -8.294 7.150 551 H VAL 65 H VAL 65 8.951 -7.253 7.037 552 HA VAL 65 HA VAL 65 10.354 -5.230 5.548 553 HB VAL 65 HB VAL 65 7.892 -6.872 4.757 554 HG11 VAL 65 1HG1 VAL 65 8.508 -6.422 2.435 555 HG12 VAL 65 2HG1 VAL 65 9.883 -5.455 2.958 556 HG13 VAL 65 3HG1 VAL 65 8.242 -4.906 3.301 557 HG21 VAL 65 1HG2 VAL 65 9.440 -8.445 3.648 558 HG22 VAL 65 2HG2 VAL 65 9.742 -8.366 5.385 559 HG23 VAL 65 3HG2 VAL 65 10.820 -7.533 4.266 560 H VAL 66 H VAL 66 6.935 -5.746 6.504 561 HA VAL 66 HA VAL 66 5.916 -3.413 5.312 562 HB VAL 66 HB VAL 66 4.646 -4.977 7.607 563 HG11 VAL 66 1HG1 VAL 66 3.366 -3.170 5.515 564 HG12 VAL 66 2HG1 VAL 66 3.560 -2.801 7.230 565 HG13 VAL 66 3HG1 VAL 66 2.494 -4.113 6.728 566 HG21 VAL 66 1HG2 VAL 66 5.220 -6.476 5.733 567 HG22 VAL 66 2HG2 VAL 66 4.344 -5.429 4.615 568 HG23 VAL 66 3HG2 VAL 66 3.471 -6.291 5.886 569 H ARG 67 H ARG 67 6.515 -4.104 8.805 570 HA ARG 67 HA ARG 67 5.708 -1.624 9.812 571 HB2 ARG 67 2HB ARG 67 6.751 -2.230 11.910 572 HB3 ARG 67 3HB ARG 67 6.098 -3.700 11.200 573 HG2 ARG 67 2HG ARG 67 8.353 -4.338 10.437 574 HG3 ARG 67 3HG ARG 67 9.015 -2.866 11.136 575 HD2 ARG 67 2HD ARG 67 8.396 -3.648 13.389 576 HD3 ARG 67 3HD ARG 67 7.681 -5.113 12.697 577 HE ARG 67 HE ARG 67 10.212 -5.163 11.741 578 HH11 ARG 67 1HH1 ARG 67 8.984 -4.851 15.033 579 HH12 ARG 67 2HH1 ARG 67 10.376 -5.609 15.734 580 HH21 ARG 67 1HH2 ARG 67 12.004 -6.136 12.673 581 HH22 ARG 67 2HH2 ARG 67 12.083 -6.332 14.396 582 H ASP 68 H ASP 68 8.775 -2.594 8.448 583 HA ASP 68 HA ASP 68 10.396 -0.453 9.431 584 HB2 ASP 68 2HB ASP 68 11.388 -2.599 8.931 585 HB3 ASP 68 3HB ASP 68 10.797 -2.559 7.277 586 H ILE 69 H ILE 69 8.634 -1.086 6.429 587 HA ILE 69 HA ILE 69 9.460 1.284 5.018 588 HB ILE 69 HB ILE 69 6.975 -0.461 4.639 589 HG12 ILE 69 2HG1 ILE 69 9.562 -0.517 3.015 590 HG13 ILE 69 3HG1 ILE 69 9.196 -1.646 4.314 591 HG21 ILE 69 1HG2 ILE 69 6.829 0.556 2.381 592 HG22 ILE 69 2HG2 ILE 69 8.149 1.649 2.793 593 HG23 ILE 69 3HG2 ILE 69 6.616 1.749 3.662 594 HD11 ILE 69 1HD1 ILE 69 7.632 -1.335 1.755 595 HD12 ILE 69 2HD1 ILE 69 7.243 -2.442 3.074 596 HD13 ILE 69 3HD1 ILE 69 8.741 -2.643 2.169 597 H VAL 70 H VAL 70 6.538 0.341 6.789 598 HA VAL 70 HA VAL 70 4.949 2.566 6.247 599 HB VAL 70 HB VAL 70 4.813 0.459 8.444 600 HG11 VAL 70 1HG1 VAL 70 2.705 2.541 7.789 601 HG12 VAL 70 2HG1 VAL 70 3.648 2.441 9.278 602 HG13 VAL 70 3HG1 VAL 70 2.494 1.169 8.880 603 HG21 VAL 70 1HG2 VAL 70 4.478 -0.364 6.135 604 HG22 VAL 70 2HG2 VAL 70 3.183 0.808 5.893 605 HG23 VAL 70 3HG2 VAL 70 2.985 -0.494 7.071 606 H GLU 71 H GLU 71 6.979 1.851 9.133 607 HA GLU 71 HA GLU 71 6.313 4.070 10.691 608 HB2 GLU 71 2HB GLU 71 8.454 3.765 11.874 609 HB3 GLU 71 3HB GLU 71 7.682 2.209 11.586 610 HG2 GLU 71 2HG GLU 71 9.212 1.713 9.768 611 HG3 GLU 71 3HG GLU 71 9.910 3.324 9.853 612 H TYR 72 H TYR 72 8.648 3.726 8.063 613 HA TYR 72 HA TYR 72 10.011 6.184 8.342 614 HB2 TYR 72 2HB TYR 72 10.974 4.308 7.084 615 HB3 TYR 72 3HB TYR 72 9.666 4.371 5.912 616 HD1 TYR 72 HD1 TYR 72 12.429 6.507 7.321 617 HD2 TYR 72 HD2 TYR 72 10.005 5.598 3.914 618 HE1 TYR 72 HE1 TYR 72 13.724 8.095 5.967 619 HE2 TYR 72 HE2 TYR 72 11.301 7.182 2.560 620 HH TYR 72 HH TYR 72 12.701 9.241 3.014 621 H ALA 73 H ALA 73 7.363 5.184 6.154 622 HA ALA 73 HA ALA 73 7.063 7.653 4.824 623 HB1 ALA 73 1HB ALA 73 5.022 5.439 5.210 624 HB2 ALA 73 2HB ALA 73 6.213 5.539 3.915 625 HB3 ALA 73 3HB ALA 73 4.923 6.736 4.010 626 H GLN 74 H GLN 74 5.658 6.450 7.853 627 HA GLN 74 HA GLN 74 3.806 8.606 8.265 628 HB2 GLN 74 2HB GLN 74 5.084 6.715 10.290 629 HB3 GLN 74 3HB GLN 74 3.753 7.813 10.644 630 HG2 GLN 74 2HG GLN 74 2.337 6.610 9.009 631 HG3 GLN 74 3HG GLN 74 3.662 5.492 8.694 632 HE21 GLN 74 1HE2 GLN 74 1.155 6.414 10.918 633 HE22 GLN 74 2HE2 GLN 74 1.313 5.054 11.973 634 H LYS 75 H LYS 75 7.174 8.015 9.212 635 HA LYS 75 HA LYS 75 7.511 10.346 10.838 636 HB2 LYS 75 2HB LYS 75 9.504 8.429 9.552 637 HB3 LYS 75 3HB LYS 75 10.021 9.810 10.515 638 HG2 LYS 75 2HG LYS 75 8.799 8.922 12.471 639 HG3 LYS 75 3HG LYS 75 8.272 7.538 11.515 640 HD2 LYS 75 2HD LYS 75 11.177 8.205 12.147 641 HD3 LYS 75 3HD LYS 75 10.207 7.017 13.014 642 HE2 LYS 75 2HE LYS 75 9.951 5.728 10.892 643 HE3 LYS 75 3HE LYS 75 11.005 6.886 10.084 644 HZ1 LYS 75 1HZ LYS 75 11.753 5.133 12.364 645 HZ2 LYS 75 2HZ LYS 75 12.780 6.257 11.630 646 HZ3 LYS 75 3HZ LYS 75 12.224 4.920 10.754 647 H GLU 76 H GLU 76 7.627 9.795 7.404 648 HA GLU 76 HA GLU 76 8.870 12.383 6.825 649 HB2 GLU 76 2HB GLU 76 7.591 10.430 4.865 650 HB3 GLU 76 3HB GLU 76 8.622 11.796 4.464 651 HG2 GLU 76 2HG GLU 76 9.404 9.174 5.734 652 HG3 GLU 76 3HG GLU 76 9.982 9.868 4.228 653 H GLY 77 H GLY 77 5.863 11.418 7.807 654 HA2 GLY 77 2HA GLY 77 3.990 12.686 8.227 655 HA3 GLY 77 3HA GLY 77 4.726 14.020 7.356 656 H LEU 78 H LEU 78 4.284 10.849 5.952 657 HA LEU 78 HA LEU 78 2.466 11.980 3.913 658 HB2 LEU 78 2HB LEU 78 4.021 9.367 3.765 659 HB3 LEU 78 3HB LEU 78 3.252 10.227 2.439 660 HG LEU 78 HG LEU 78 5.752 11.083 3.951 661 HD11 LEU 78 1HD1 LEU 78 6.166 9.281 2.367 662 HD12 LEU 78 2HD1 LEU 78 6.904 10.780 1.811 663 HD13 LEU 78 3HD1 LEU 78 5.404 10.209 1.073 664 HD21 LEU 78 1HD2 LEU 78 4.324 12.555 1.723 665 HD22 LEU 78 2HD2 LEU 78 5.900 12.986 2.393 666 HD23 LEU 78 3HD2 LEU 78 4.460 13.072 3.404 667 H ARG 79 H ARG 79 0.485 10.967 3.453 668 HA ARG 79 HA ARG 79 -0.813 9.527 5.529 669 HB2 ARG 79 2HB ARG 79 -1.942 11.104 3.902 670 HB3 ARG 79 3HB ARG 79 -1.710 9.904 2.637 671 HG2 ARG 79 2HG ARG 79 -3.060 8.306 4.191 672 HG3 ARG 79 3HG ARG 79 -3.526 9.772 5.051 673 HD2 ARG 79 2HD ARG 79 -4.019 9.207 2.111 674 HD3 ARG 79 3HD ARG 79 -5.217 9.093 3.399 675 HE ARG 79 HE ARG 79 -4.266 11.674 3.525 676 HH11 ARG 79 1HH1 ARG 79 -5.840 9.729 1.057 677 HH12 ARG 79 2HH1 ARG 79 -6.607 11.087 0.303 678 HH21 ARG 79 1HH2 ARG 79 -5.322 13.432 2.575 679 HH22 ARG 79 2HH2 ARG 79 -6.314 13.193 1.169 680 H VAL 80 H VAL 80 -0.485 7.382 5.947 681 HA VAL 80 HA VAL 80 0.441 5.577 3.787 682 HB VAL 80 HB VAL 80 0.680 5.103 6.796 683 HG11 VAL 80 1HG1 VAL 80 0.749 3.047 5.437 684 HG12 VAL 80 2HG1 VAL 80 2.333 3.378 6.136 685 HG13 VAL 80 3HG1 VAL 80 2.030 3.731 4.432 686 HG21 VAL 80 1HG2 VAL 80 2.769 6.228 4.893 687 HG22 VAL 80 2HG2 VAL 80 3.057 5.766 6.574 688 HG23 VAL 80 3HG2 VAL 80 1.967 7.101 6.200 689 H LEU 81 H LEU 81 -1.142 4.377 2.954 690 HA LEU 81 HA LEU 81 -3.358 3.350 4.645 691 HB2 LEU 81 2HB LEU 81 -3.314 3.576 1.598 692 HB3 LEU 81 3HB LEU 81 -4.676 3.152 2.611 693 HG LEU 81 HG LEU 81 -5.095 5.342 1.811 694 HD11 LEU 81 1HD1 LEU 81 -5.232 6.730 3.803 695 HD12 LEU 81 2HD1 LEU 81 -4.098 5.668 4.642 696 HD13 LEU 81 3HD1 LEU 81 -5.680 5.058 4.150 697 HD21 LEU 81 1HD2 LEU 81 -2.347 6.225 2.732 698 HD22 LEU 81 2HD2 LEU 81 -3.568 7.229 1.946 699 HD23 LEU 81 3HD2 LEU 81 -2.824 5.901 1.063 700 H VAL 82 H VAL 82 -2.961 1.243 5.174 701 HA VAL 82 HA VAL 82 -1.269 -0.396 3.388 702 HB VAL 82 HB VAL 82 -1.888 -0.869 6.346 703 HG11 VAL 82 1HG1 VAL 82 -1.434 -2.980 5.167 704 HG12 VAL 82 2HG1 VAL 82 -0.091 -2.577 6.234 705 HG13 VAL 82 3HG1 VAL 82 0.060 -2.315 4.496 706 HG21 VAL 82 1HG2 VAL 82 -0.503 1.142 6.032 707 HG22 VAL 82 2HG2 VAL 82 0.649 0.220 5.064 708 HG23 VAL 82 3HG2 VAL 82 0.436 -0.156 6.775 709 H ILE 83 H ILE 83 -2.511 -1.508 2.018 710 HA ILE 83 HA ILE 83 -4.907 -2.969 2.945 711 HB ILE 83 HB ILE 83 -3.746 -2.698 0.121 712 HG12 ILE 83 2HG1 ILE 83 -6.148 -1.372 1.435 713 HG13 ILE 83 3HG1 ILE 83 -4.715 -0.581 0.796 714 HG21 ILE 83 1HG2 ILE 83 -4.896 -4.863 0.428 715 HG22 ILE 83 2HG2 ILE 83 -5.791 -3.820 -0.673 716 HG23 ILE 83 3HG2 ILE 83 -6.345 -4.022 0.990 717 HD11 ILE 83 1HD1 ILE 83 -6.612 -0.269 -0.657 718 HD12 ILE 83 2HD1 ILE 83 -6.819 -2.010 -0.823 719 HD13 ILE 83 3HD1 ILE 83 -5.373 -1.223 -1.466 720 H MET 84 H MET 84 -4.599 -5.036 3.627 721 HA MET 84 HA MET 84 -2.436 -6.653 2.397 722 HB2 MET 84 2HB MET 84 -3.333 -6.574 5.301 723 HB3 MET 84 3HB MET 84 -2.390 -7.907 4.644 724 HG2 MET 84 2HG MET 84 -0.552 -6.409 4.122 725 HG3 MET 84 3HG MET 84 -1.502 -5.011 4.611 726 HE1 MET 84 1HE MET 84 -1.670 -5.345 8.466 727 HE2 MET 84 2HE MET 84 -2.902 -5.820 7.300 728 HE3 MET 84 3HE MET 84 -2.002 -4.318 7.070 729 H VAL 85 H VAL 85 -3.170 -8.309 1.285 730 HA VAL 85 HA VAL 85 -5.889 -9.390 1.736 731 HB VAL 85 HB VAL 85 -4.665 -8.622 -0.961 732 HG11 VAL 85 1HG1 VAL 85 -6.820 -9.327 -1.965 733 HG12 VAL 85 2HG1 VAL 85 -7.356 -9.928 -0.395 734 HG13 VAL 85 3HG1 VAL 85 -5.980 -10.679 -1.204 735 HG21 VAL 85 1HG2 VAL 85 -6.454 -6.961 -1.109 736 HG22 VAL 85 2HG2 VAL 85 -5.500 -6.695 0.350 737 HG23 VAL 85 3HG2 VAL 85 -7.086 -7.461 0.460 738 H ASP 86 H ASP 86 -5.898 -11.503 1.873 739 HA ASP 86 HA ASP 86 -4.570 -13.332 0.175 740 HB2 ASP 86 2HB ASP 86 -2.581 -12.952 1.548 741 HB3 ASP 86 3HB ASP 86 -3.509 -13.139 3.031 742 H GLN 87 H GLN 87 -5.332 -15.524 0.579 743 HA GLN 87 HA GLN 87 -8.035 -15.673 1.370 744 HB2 GLN 87 2HB GLN 87 -6.094 -17.993 1.036 745 HB3 GLN 87 3HB GLN 87 -7.850 -18.080 0.951 746 HG2 GLN 87 2HG GLN 87 -5.979 -16.749 -1.014 747 HG3 GLN 87 3HG GLN 87 -6.980 -18.164 -1.285 748 HE21 GLN 87 1HE2 GLN 87 -6.895 -14.702 -1.180 749 HE22 GLN 87 2HE2 GLN 87 -8.485 -14.435 -1.802 750 H ASP 88 H ASP 88 -5.116 -16.119 3.190 751 HA ASP 88 HA ASP 88 -6.544 -17.130 5.551 752 HB2 ASP 88 2HB ASP 88 -4.297 -18.113 4.942 753 HB3 ASP 88 3HB ASP 88 -3.560 -16.537 5.221 754 H GLN 89 H GLN 89 -7.490 -15.639 6.791 755 HA GLN 89 HA GLN 89 -6.964 -12.830 6.516 756 HB2 GLN 89 2HB GLN 89 -9.255 -13.720 6.853 757 HB3 GLN 89 3HB GLN 89 -8.809 -14.291 8.457 758 HG2 GLN 89 2HG GLN 89 -10.092 -12.220 8.611 759 HG3 GLN 89 3HG GLN 89 -8.448 -11.958 9.185 760 HE21 GLN 89 1HE2 GLN 89 -10.729 -11.260 6.611 761 HE22 GLN 89 2HE2 GLN 89 -9.836 -9.945 5.935 762 H GLU 90 H GLU 90 -5.980 -15.333 8.776 763 HA GLU 90 HA GLU 90 -5.341 -13.674 11.006 764 HB2 GLU 90 2HB GLU 90 -4.320 -16.446 10.263 765 HB3 GLU 90 3HB GLU 90 -4.018 -15.657 11.810 766 HG2 GLU 90 2HG GLU 90 -6.451 -15.613 12.266 767 HG3 GLU 90 3HG GLU 90 -6.749 -16.412 10.722 768 H GLU 91 H GLU 91 -3.534 -14.659 8.161 769 HA GLU 91 HA GLU 91 -0.928 -13.861 8.884 770 HB2 GLU 91 2HB GLU 91 -1.488 -15.252 6.881 771 HB3 GLU 91 3HB GLU 91 -2.275 -13.862 6.141 772 HG2 GLU 91 2HG GLU 91 -0.048 -14.242 5.180 773 HG3 GLU 91 3HG GLU 91 -0.128 -12.683 5.999 774 H LEU 92 H LEU 92 -3.625 -12.185 7.409 775 HA LEU 92 HA LEU 92 -2.345 -9.677 6.900 776 HB2 LEU 92 2HB LEU 92 -5.331 -10.218 7.139 777 HB3 LEU 92 3HB LEU 92 -4.544 -8.965 6.193 778 HG LEU 92 HG LEU 92 -4.454 -11.943 5.602 779 HD11 LEU 92 1HD1 LEU 92 -5.959 -9.738 4.166 780 HD12 LEU 92 2HD1 LEU 92 -6.668 -10.996 5.180 781 HD13 LEU 92 3HD1 LEU 92 -5.869 -11.430 3.671 782 HD21 LEU 92 1HD2 LEU 92 -3.352 -11.289 3.483 783 HD22 LEU 92 2HD2 LEU 92 -2.375 -10.916 4.897 784 HD23 LEU 92 3HD2 LEU 92 -3.244 -9.627 4.060 785 H GLU 93 H GLU 93 -4.445 -11.017 9.360 786 HA GLU 93 HA GLU 93 -5.051 -8.698 10.872 787 HB2 GLU 93 2HB GLU 93 -6.482 -10.666 10.907 788 HB3 GLU 93 3HB GLU 93 -5.178 -11.682 11.505 789 HG2 GLU 93 2HG GLU 93 -5.199 -10.376 13.629 790 HG3 GLU 93 3HG GLU 93 -6.574 -9.457 13.027 791 H ARG 94 H ARG 94 -2.425 -11.035 10.957 792 HA ARG 94 HA ARG 94 -1.403 -10.516 13.549 793 HB2 ARG 94 2HB ARG 94 -0.775 -12.518 12.151 794 HB3 ARG 94 3HB ARG 94 0.133 -11.458 11.080 795 HG2 ARG 94 2HG ARG 94 1.663 -12.578 12.615 796 HG3 ARG 94 3HG ARG 94 1.628 -10.849 12.971 797 HD2 ARG 94 2HD ARG 94 0.030 -11.299 14.836 798 HD3 ARG 94 3HD ARG 94 0.168 -13.028 14.505 799 HE ARG 94 HE ARG 94 2.738 -11.940 14.935 800 HH11 ARG 94 1HH1 ARG 94 -0.192 -12.738 16.735 801 HH12 ARG 94 2HH1 ARG 94 0.649 -13.001 18.230 802 HH21 ARG 94 1HH2 ARG 94 3.824 -12.270 16.931 803 HH22 ARG 94 2HH2 ARG 94 2.914 -12.734 18.335 804 H ILE 95 H ILE 95 -0.407 -9.328 10.330 805 HA ILE 95 HA ILE 95 1.523 -7.465 11.277 806 HB ILE 95 HB ILE 95 0.088 -7.316 8.587 807 HG12 ILE 95 2HG1 ILE 95 0.826 -9.639 8.838 808 HG13 ILE 95 3HG1 ILE 95 1.853 -8.834 7.663 809 HG21 ILE 95 1HG2 ILE 95 1.530 -5.398 9.081 810 HG22 ILE 95 2HG2 ILE 95 2.217 -6.361 7.776 811 HG23 ILE 95 3HG2 ILE 95 2.895 -6.474 9.400 812 HD11 ILE 95 1HD1 ILE 95 2.567 -9.489 10.525 813 HD12 ILE 95 2HD1 ILE 95 3.607 -8.621 9.391 814 HD13 ILE 95 3HD1 ILE 95 3.154 -10.293 9.069 815 H TYR 96 H TYR 96 -1.881 -7.259 10.391 816 HA TYR 96 HA TYR 96 -2.468 -4.566 10.360 817 HB2 TYR 96 2HB TYR 96 -4.061 -6.361 9.781 818 HB3 TYR 96 3HB TYR 96 -4.114 -6.899 11.447 819 HD1 TYR 96 HD1 TYR 96 -5.595 -4.735 8.978 820 HD2 TYR 96 HD2 TYR 96 -5.249 -5.341 13.187 821 HE1 TYR 96 HE1 TYR 96 -7.634 -3.414 9.332 822 HE2 TYR 96 HE2 TYR 96 -7.285 -4.002 13.546 823 HH TYR 96 HH TYR 96 -9.397 -3.128 11.023 824 H GLU 97 H GLU 97 -2.414 -6.761 13.162 825 HA GLU 97 HA GLU 97 -3.350 -4.998 15.135 826 HB2 GLU 97 2HB GLU 97 -3.271 -7.468 15.394 827 HB3 GLU 97 3HB GLU 97 -1.513 -7.411 15.462 828 HG2 GLU 97 2HG GLU 97 -1.741 -5.953 17.520 829 HG3 GLU 97 3HG GLU 97 -3.471 -6.288 17.495 830 H GLN 98 H GLN 98 -0.055 -5.831 14.105 831 HA GLN 98 HA GLN 98 1.366 -4.365 16.070 832 HB2 GLN 98 2HB GLN 98 2.441 -6.170 14.802 833 HB3 GLN 98 3HB GLN 98 2.221 -5.298 13.287 834 HG2 GLN 98 2HG GLN 98 4.556 -5.181 14.125 835 HG3 GLN 98 3HG GLN 98 3.812 -3.586 13.988 836 HE21 GLN 98 1HE2 GLN 98 5.055 -2.547 15.517 837 HE22 GLN 98 2HE2 GLN 98 5.077 -2.965 17.195 838 H LEU 99 H LEU 99 0.421 -3.540 12.738 839 HA LEU 99 HA LEU 99 1.545 -0.924 12.712 840 HB2 LEU 99 2HB LEU 99 -0.726 -2.099 11.075 841 HB3 LEU 99 3HB LEU 99 0.138 -0.618 10.688 842 HG LEU 99 HG LEU 99 1.346 -3.413 10.708 843 HD11 LEU 99 1HD1 LEU 99 0.673 -1.647 8.337 844 HD12 LEU 99 2HD1 LEU 99 -0.224 -3.077 8.851 845 HD13 LEU 99 3HD1 LEU 99 1.434 -3.241 8.284 846 HD21 LEU 99 1HD2 LEU 99 3.339 -2.394 9.715 847 HD22 LEU 99 2HD2 LEU 99 3.019 -1.750 11.322 848 HD23 LEU 99 3HD2 LEU 99 2.624 -0.790 9.895 849 H LYS 100 H LYS 100 -1.480 -2.265 13.853 850 HA LYS 100 HA LYS 100 -2.937 0.167 14.151 851 HB2 LYS 100 2HB LYS 100 -3.849 -2.253 14.086 852 HB3 LYS 100 3HB LYS 100 -3.382 -2.385 15.770 853 HG2 LYS 100 2HG LYS 100 -5.282 -0.235 14.781 854 HG3 LYS 100 3HG LYS 100 -5.848 -1.843 15.230 855 HD2 LYS 100 2HD LYS 100 -4.928 -1.501 17.522 856 HD3 LYS 100 3HD LYS 100 -4.414 0.122 17.058 857 HE2 LYS 100 2HE LYS 100 -6.754 0.770 16.683 858 HE3 LYS 100 3HE LYS 100 -7.286 -0.864 17.092 859 HZ1 LYS 100 1HZ LYS 100 -5.948 1.071 18.906 860 HZ2 LYS 100 2HZ LYS 100 -6.297 -0.532 19.313 861 HZ3 LYS 100 3HZ LYS 100 -7.556 0.547 18.983 862 H LYS 101 H LYS 101 -0.690 -1.661 16.177 863 HA LYS 101 HA LYS 101 -0.759 -0.122 18.540 864 HB2 LYS 101 2HB LYS 101 1.609 -1.593 17.305 865 HB3 LYS 101 3HB LYS 101 1.547 -1.009 18.957 866 HG2 LYS 101 2HG LYS 101 -0.317 -3.118 17.834 867 HG3 LYS 101 3HG LYS 101 1.180 -3.467 18.695 868 HD2 LYS 101 2HD LYS 101 0.206 -2.117 20.645 869 HD3 LYS 101 3HD LYS 101 -1.331 -2.169 19.779 870 HE2 LYS 101 2HE LYS 101 -1.189 -3.943 21.487 871 HE3 LYS 101 3HE LYS 101 -1.308 -4.636 19.868 872 HZ1 LYS 101 1HZ LYS 101 0.375 -5.726 21.274 873 HZ2 LYS 101 2HZ LYS 101 1.239 -4.276 21.363 874 HZ3 LYS 101 3HZ LYS 101 1.044 -5.052 19.877 875 H ASP 102 H ASP 102 1.040 0.266 15.509 876 HA ASP 102 HA ASP 102 2.464 2.651 16.367 877 HB2 ASP 102 2HB ASP 102 2.349 1.252 13.660 878 HB3 ASP 102 3HB ASP 102 3.376 2.637 14.016 879 H GLY 103 H GLY 103 -0.657 2.134 15.336 880 HA2 GLY 103 2HA GLY 103 -2.373 3.601 14.933 881 HA3 GLY 103 3HA GLY 103 -1.244 4.921 15.179 882 H VAL 104 H VAL 104 -1.576 2.312 12.770 883 HA VAL 104 HA VAL 104 -1.201 4.272 10.572 884 HB VAL 104 HB VAL 104 -0.939 1.230 10.383 885 HG11 VAL 104 1HG1 VAL 104 -1.266 2.391 8.232 886 HG12 VAL 104 2HG1 VAL 104 0.350 1.696 8.342 887 HG13 VAL 104 3HG1 VAL 104 0.121 3.432 8.566 888 HG21 VAL 104 1HG2 VAL 104 0.678 2.037 12.054 889 HG22 VAL 104 2HG2 VAL 104 1.312 3.208 10.900 890 HG23 VAL 104 3HG2 VAL 104 1.496 1.480 10.595 891 H ASP 105 H ASP 105 -2.633 4.153 8.710 892 HA ASP 105 HA ASP 105 -5.281 3.108 9.089 893 HB2 ASP 105 2HB ASP 105 -4.817 5.029 7.537 894 HB3 ASP 105 3HB ASP 105 -3.904 3.947 6.489 895 H VAL 106 H VAL 106 -5.682 1.000 9.059 896 HA VAL 106 HA VAL 106 -4.253 -0.790 7.194 897 HB VAL 106 HB VAL 106 -4.386 -2.576 9.099 898 HG11 VAL 106 1HG1 VAL 106 -2.391 -0.302 9.368 899 HG12 VAL 106 2HG1 VAL 106 -2.279 -1.650 8.232 900 HG13 VAL 106 3HG1 VAL 106 -2.194 -1.952 9.967 901 HG21 VAL 106 1HG2 VAL 106 -5.789 -1.304 10.690 902 HG22 VAL 106 2HG2 VAL 106 -4.543 -0.065 10.832 903 HG23 VAL 106 3HG2 VAL 106 -4.234 -1.703 11.422 904 H ARG 107 H ARG 107 -5.514 -2.056 6.087 905 HA ARG 107 HA ARG 107 -8.242 -2.719 6.922 906 HB2 ARG 107 2HB ARG 107 -9.087 -2.106 4.636 907 HB3 ARG 107 3HB ARG 107 -8.547 -0.724 5.578 908 HG2 ARG 107 2HG ARG 107 -6.330 -0.877 4.290 909 HG3 ARG 107 3HG ARG 107 -7.153 -2.012 3.215 910 HD2 ARG 107 2HD ARG 107 -7.211 0.230 2.262 911 HD3 ARG 107 3HD ARG 107 -8.850 -0.259 2.711 912 HE ARG 107 HE ARG 107 -7.235 1.391 4.555 913 HH11 ARG 107 1HH1 ARG 107 -10.052 1.105 2.482 914 HH12 ARG 107 2HH1 ARG 107 -10.800 2.539 3.095 915 HH21 ARG 107 1HH2 ARG 107 -8.189 3.260 5.343 916 HH22 ARG 107 2HH2 ARG 107 -9.733 3.776 4.736 917 H VAL 108 H VAL 108 -8.591 -4.803 6.617 918 HA VAL 108 HA VAL 108 -6.911 -6.354 4.750 919 HB VAL 108 HB VAL 108 -6.797 -8.182 6.450 920 HG11 VAL 108 1HG1 VAL 108 -5.064 -7.156 7.870 921 HG12 VAL 108 2HG1 VAL 108 -5.601 -5.548 7.378 922 HG13 VAL 108 3HG1 VAL 108 -4.906 -6.653 6.188 923 HG21 VAL 108 1HG2 VAL 108 -8.767 -7.617 7.830 924 HG22 VAL 108 2HG2 VAL 108 -7.969 -6.149 8.400 925 HG23 VAL 108 3HG2 VAL 108 -7.317 -7.733 8.830 926 H THR 109 H THR 109 -7.938 -7.911 3.617 927 HA THR 109 HA THR 109 -10.556 -8.915 4.401 928 HB THR 109 HB THR 109 -11.187 -6.933 3.079 929 HG1 THR 109 HG1 THR 109 -12.499 -8.755 2.848 930 HG21 THR 109 1HG2 THR 109 -10.656 -6.691 0.695 931 HG22 THR 109 2HG2 THR 109 -9.638 -8.132 0.746 932 HG23 THR 109 3HG2 THR 109 -9.172 -6.686 1.648 933 H ASP 110 H ASP 110 -10.610 -11.060 3.986 934 HA ASP 110 HA ASP 110 -8.466 -12.249 2.385 935 HB2 ASP 110 2HB ASP 110 -9.181 -14.410 3.387 936 HB3 ASP 110 3HB ASP 110 -8.806 -13.206 4.611 937 H ASN 111 H ASN 111 -9.208 -11.491 0.422 938 HA ASN 111 HA ASN 111 -10.150 -13.197 -1.410 939 HB2 ASN 111 2HB ASN 111 -12.454 -12.634 -2.014 940 HB3 ASN 111 3HB ASN 111 -12.443 -13.151 -0.334 941 HD21 ASN 111 1HD2 ASN 111 -12.655 -11.516 1.315 942 HD22 ASN 111 2HD2 ASN 111 -13.450 -10.026 0.963 943 H GLU 112 H GLU 112 -10.531 -12.161 -3.533 944 HA GLU 112 HA GLU 112 -8.845 -9.796 -3.791 945 HB2 GLU 112 2HB GLU 112 -8.402 -11.731 -5.210 946 HB3 GLU 112 3HB GLU 112 -10.035 -11.680 -5.862 947 HG2 GLU 112 2HG GLU 112 -9.528 -9.465 -6.882 948 HG3 GLU 112 3HG GLU 112 -7.870 -9.590 -6.284 949 H ASP 113 H ASP 113 -12.273 -10.592 -4.140 950 HA ASP 113 HA ASP 113 -13.095 -8.593 -5.943 951 HB2 ASP 113 2HB ASP 113 -14.594 -10.440 -5.355 952 HB3 ASP 113 3HB ASP 113 -14.661 -9.903 -3.678 953 H GLU 114 H GLU 114 -13.438 -8.561 -2.388 954 HA GLU 114 HA GLU 114 -14.220 -5.873 -2.098 955 HB2 GLU 114 2HB GLU 114 -14.564 -7.678 -0.384 956 HB3 GLU 114 3HB GLU 114 -12.836 -7.667 -0.047 957 HG2 GLU 114 2HG GLU 114 -13.997 -6.427 1.678 958 HG3 GLU 114 3HG GLU 114 -13.022 -5.314 0.728 959 H ALA 115 H ALA 115 -11.063 -7.413 -2.254 960 HA ALA 115 HA ALA 115 -9.376 -5.400 -1.318 961 HB1 ALA 115 1HB ALA 115 -8.848 -7.372 -3.563 962 HB2 ALA 115 2HB ALA 115 -8.643 -7.689 -1.841 963 HB3 ALA 115 3HB ALA 115 -7.624 -6.491 -2.637 964 H LYS 116 H LYS 116 -10.681 -5.951 -4.580 965 HA LYS 116 HA LYS 116 -9.309 -3.829 -5.889 966 HB2 LYS 116 2HB LYS 116 -11.858 -5.304 -6.693 967 HB3 LYS 116 3HB LYS 116 -10.955 -4.216 -7.745 968 HG2 LYS 116 2HG LYS 116 -8.972 -5.740 -7.558 969 HG3 LYS 116 3HG LYS 116 -9.960 -6.841 -6.600 970 HD2 LYS 116 2HD LYS 116 -9.935 -7.719 -8.824 971 HD3 LYS 116 3HD LYS 116 -11.534 -7.015 -8.595 972 HE2 LYS 116 2HE LYS 116 -9.269 -5.536 -9.974 973 HE3 LYS 116 3HE LYS 116 -10.405 -6.567 -10.835 974 HZ1 LYS 116 1HZ LYS 116 -11.046 -4.250 -10.946 975 HZ2 LYS 116 2HZ LYS 116 -11.135 -4.149 -9.264 976 HZ3 LYS 116 3HZ LYS 116 -12.212 -5.141 -10.107 977 H LYS 117 H LYS 117 -12.409 -4.033 -4.220 978 HA LYS 117 HA LYS 117 -13.453 -1.487 -4.980 979 HB2 LYS 117 2HB LYS 117 -14.081 -3.420 -2.726 980 HB3 LYS 117 3HB LYS 117 -14.798 -1.814 -2.718 981 HG2 LYS 117 2HG LYS 117 -16.354 -3.432 -3.650 982 HG3 LYS 117 3HG LYS 117 -15.876 -2.269 -4.885 983 HD2 LYS 117 2HD LYS 117 -14.357 -3.908 -5.885 984 HD3 LYS 117 3HD LYS 117 -14.706 -5.058 -4.594 985 HE2 LYS 117 2HE LYS 117 -16.763 -4.020 -6.567 986 HE3 LYS 117 3HE LYS 117 -15.910 -5.556 -6.718 987 HZ1 LYS 117 1HZ LYS 117 -17.672 -4.803 -4.451 988 HZ2 LYS 117 2HZ LYS 117 -16.888 -6.285 -4.652 989 HZ3 LYS 117 3HZ LYS 117 -18.099 -5.821 -5.732 990 H ARG 118 H ARG 118 -11.552 -2.617 -2.178 991 HA ARG 118 HA ARG 118 -11.468 -0.090 -0.830 992 HB2 ARG 118 2HB ARG 118 -9.755 -2.588 -0.439 993 HB3 ARG 118 3HB ARG 118 -9.778 -1.210 0.655 994 HG2 ARG 118 2HG ARG 118 -12.130 -3.024 0.045 995 HG3 ARG 118 3HG ARG 118 -11.152 -3.061 1.511 996 HD2 ARG 118 2HD ARG 118 -11.940 -0.845 2.146 997 HD3 ARG 118 3HD ARG 118 -12.801 -0.672 0.615 998 HE ARG 118 HE ARG 118 -13.776 -2.963 1.872 999 HH11 ARG 118 1HH1 ARG 118 -13.839 0.537 2.366 1000 HH12 ARG 118 2HH1 ARG 118 -15.346 0.494 3.221 1001 HH21 ARG 118 1HH2 ARG 118 -15.734 -2.975 3.008 1002 HH22 ARG 118 2HH2 ARG 118 -16.413 -1.485 3.579 1003 H LEU 119 H LEU 119 -9.480 -1.656 -3.227 1004 HA LEU 119 HA LEU 119 -7.162 -0.022 -3.063 1005 HB2 LEU 119 2HB LEU 119 -7.646 -2.312 -4.376 1006 HB3 LEU 119 3HB LEU 119 -8.107 -1.247 -5.684 1007 HG LEU 119 HG LEU 119 -5.818 -2.002 -6.009 1008 HD11 LEU 119 1HD1 LEU 119 -4.589 0.087 -6.238 1009 HD12 LEU 119 2HD1 LEU 119 -5.749 0.909 -5.191 1010 HD13 LEU 119 3HD1 LEU 119 -6.264 0.279 -6.755 1011 HD21 LEU 119 1HD2 LEU 119 -5.120 -0.812 -3.309 1012 HD22 LEU 119 2HD2 LEU 119 -4.002 -1.583 -4.439 1013 HD23 LEU 119 3HD2 LEU 119 -5.270 -2.533 -3.670 1014 H LYS 120 H LYS 120 -9.984 -0.010 -5.242 1015 HA LYS 120 HA LYS 120 -9.488 2.355 -6.655 1016 HB2 LYS 120 2HB LYS 120 -11.135 0.561 -7.290 1017 HB3 LYS 120 3HB LYS 120 -12.189 1.107 -5.993 1018 HG2 LYS 120 2HG LYS 120 -12.280 3.371 -7.142 1019 HG3 LYS 120 3HG LYS 120 -11.405 2.641 -8.490 1020 HD2 LYS 120 2HD LYS 120 -13.803 2.674 -8.978 1021 HD3 LYS 120 3HD LYS 120 -13.262 1.003 -8.789 1022 HE2 LYS 120 2HE LYS 120 -14.186 0.921 -6.526 1023 HE3 LYS 120 3HE LYS 120 -14.619 2.632 -6.607 1024 HZ1 LYS 120 1HZ LYS 120 -16.534 1.257 -7.023 1025 HZ2 LYS 120 2HZ LYS 120 -15.751 0.460 -8.292 1026 HZ3 LYS 120 3HZ LYS 120 -16.134 2.100 -8.431 1027 H GLU 121 H GLU 121 -11.097 1.746 -3.597 1028 HA GLU 121 HA GLU 121 -12.380 4.181 -3.117 1029 HB2 GLU 121 2HB GLU 121 -12.664 2.067 -1.772 1030 HB3 GLU 121 3HB GLU 121 -11.086 2.354 -1.047 1031 HG2 GLU 121 2HG GLU 121 -12.071 4.644 -0.309 1032 HG3 GLU 121 3HG GLU 121 -13.639 3.943 -0.697 1033 H LEU 122 H LEU 122 -9.076 3.099 -2.350 1034 HA LEU 122 HA LEU 122 -8.293 5.450 -0.933 1035 HB2 LEU 122 2HB LEU 122 -6.603 3.269 -2.212 1036 HB3 LEU 122 3HB LEU 122 -5.972 4.524 -1.153 1037 HG LEU 122 HG LEU 122 -7.940 2.343 -0.379 1038 HD11 LEU 122 1HD1 LEU 122 -6.135 1.561 1.096 1039 HD12 LEU 122 2HD1 LEU 122 -5.066 2.803 0.439 1040 HD13 LEU 122 3HD1 LEU 122 -5.678 1.521 -0.604 1041 HD21 LEU 122 1HD2 LEU 122 -7.768 3.228 1.930 1042 HD22 LEU 122 2HD2 LEU 122 -8.553 4.349 0.824 1043 HD23 LEU 122 3HD2 LEU 122 -6.879 4.624 1.316 1044 H LEU 123 H LEU 123 -8.195 4.513 -4.311 1045 HA LEU 123 HA LEU 123 -6.634 6.689 -5.266 1046 HB2 LEU 123 2HB LEU 123 -8.550 4.731 -6.518 1047 HB3 LEU 123 3HB LEU 123 -8.148 6.174 -7.431 1048 HG LEU 123 HG LEU 123 -6.726 4.302 -8.112 1049 HD11 LEU 123 1HD1 LEU 123 -5.128 6.426 -6.648 1050 HD12 LEU 123 2HD1 LEU 123 -5.796 6.553 -8.277 1051 HD13 LEU 123 3HD1 LEU 123 -4.537 5.376 -7.937 1052 HD21 LEU 123 1HD2 LEU 123 -5.684 4.207 -5.259 1053 HD22 LEU 123 2HD2 LEU 123 -5.065 3.276 -6.626 1054 HD23 LEU 123 3HD2 LEU 123 -6.700 2.992 -6.039 1055 H GLU 124 H GLU 124 -10.059 6.307 -4.518 1056 HA GLU 124 HA GLU 124 -10.904 8.900 -5.429 1057 HB2 GLU 124 2HB GLU 124 -12.193 6.921 -3.497 1058 HB3 GLU 124 3HB GLU 124 -12.985 8.373 -4.104 1059 HG2 GLU 124 2HG GLU 124 -13.011 7.530 -6.355 1060 HG3 GLU 124 3HG GLU 124 -11.946 6.195 -5.929 1061 H LYS 125 H LYS 125 -9.632 7.580 -2.408 1062 HA LYS 125 HA LYS 125 -10.058 9.857 -0.744 1063 HB2 LYS 125 2HB LYS 125 -8.431 7.333 -0.544 1064 HB3 LYS 125 3HB LYS 125 -7.889 8.671 0.457 1065 HG2 LYS 125 2HG LYS 125 -9.356 7.126 1.690 1066 HG3 LYS 125 3HG LYS 125 -10.045 8.749 1.604 1067 HD2 LYS 125 2HD LYS 125 -11.513 7.982 -0.272 1068 HD3 LYS 125 3HD LYS 125 -10.861 6.351 -0.088 1069 HE2 LYS 125 2HE LYS 125 -13.034 6.548 1.017 1070 HE3 LYS 125 3HE LYS 125 -11.771 6.265 2.216 1071 HZ1 LYS 125 1HZ LYS 125 -11.808 8.580 2.793 1072 HZ2 LYS 125 2HZ LYS 125 -13.387 7.983 2.862 1073 HZ3 LYS 125 3HZ LYS 125 -12.901 8.933 1.551 1074 H VAL 126 H VAL 126 -7.439 8.871 -2.909 1075 HA VAL 126 HA VAL 126 -5.678 11.046 -2.472 1076 HB VAL 126 HB VAL 126 -6.151 9.262 -4.907 1077 HG11 VAL 126 1HG1 VAL 126 -3.975 11.370 -4.619 1078 HG12 VAL 126 2HG1 VAL 126 -5.306 11.388 -5.778 1079 HG13 VAL 126 3HG1 VAL 126 -4.058 10.151 -5.892 1080 HG21 VAL 126 1HG2 VAL 126 -3.860 9.339 -2.902 1081 HG22 VAL 126 2HG2 VAL 126 -4.001 8.226 -4.266 1082 HG23 VAL 126 3HG2 VAL 126 -5.163 8.149 -2.941 1083 H LEU 127 H LEU 127 -8.347 10.535 -4.796 1084 HA LEU 127 HA LEU 127 -8.164 13.097 -6.036 1085 HB2 LEU 127 2HB LEU 127 -10.414 11.050 -6.077 1086 HB3 LEU 127 3HB LEU 127 -10.359 12.477 -7.100 1087 HG LEU 127 HG LEU 127 -8.403 10.145 -7.195 1088 HD11 LEU 127 1HD1 LEU 127 -10.597 9.575 -8.116 1089 HD12 LEU 127 2HD1 LEU 127 -9.376 9.646 -9.384 1090 HD13 LEU 127 3HD1 LEU 127 -10.528 10.971 -9.195 1091 HD21 LEU 127 1HD2 LEU 127 -7.436 11.230 -9.188 1092 HD22 LEU 127 2HD2 LEU 127 -7.218 12.198 -7.734 1093 HD23 LEU 127 3HD2 LEU 127 -8.455 12.646 -8.911 1094 H GLU 128 H GLU 128 -9.615 12.125 -3.057 1095 HA GLU 128 HA GLU 128 -11.403 14.328 -2.735 1096 HB2 GLU 128 2HB GLU 128 -9.898 12.633 -0.697 1097 HB3 GLU 128 3HB GLU 128 -10.948 13.962 -0.212 1098 HG2 GLU 128 2HG GLU 128 -12.842 12.842 -1.380 1099 HG3 GLU 128 3HG GLU 128 -11.784 11.477 -1.732 1100 H HIS 129 H HIS 129 -7.996 13.854 -1.766 1101 HA HIS 129 HA HIS 129 -7.786 16.712 -1.119 1102 HB2 HIS 129 2HB HIS 129 -6.944 14.768 0.432 1103 HB3 HIS 129 3HB HIS 129 -5.566 14.694 -0.655 1104 HD1 HIS 129 HD1 HIS 129 -7.024 16.665 2.127 1105 HD2 HIS 129 HD2 HIS 129 -3.882 17.060 -0.568 1106 HE1 HIS 129 HE1 HIS 129 -5.592 18.526 3.018 1107 HE2 HIS 129 HE2 HIS 129 -3.743 18.782 1.347 1108 H HIS 130 H HIS 130 -8.110 16.678 -3.670 1109 HA HIS 130 HA HIS 130 -5.676 16.705 -5.181 1110 HB2 HIS 130 2HB HIS 130 -7.084 18.325 -6.710 1111 HB3 HIS 130 3HB HIS 130 -7.548 16.634 -6.593 1112 HD1 HIS 130 HD1 HIS 130 -9.902 16.165 -5.954 1113 HD2 HIS 130 HD2 HIS 130 -8.861 20.099 -5.125 1114 HE1 HIS 130 HE1 HIS 130 -12.022 17.286 -5.228 1115 HE2 HIS 130 HE2 HIS 130 -11.409 19.702 -4.979 1116 H HIS 131 H HIS 131 -4.019 17.860 -4.442 1117 HA HIS 131 HA HIS 131 -4.299 19.430 -2.165 1118 HB2 HIS 131 2HB HIS 131 -1.862 19.679 -2.181 1119 HB3 HIS 131 3HB HIS 131 -2.300 18.039 -2.640 1120 HD1 HIS 131 HD1 HIS 131 -0.507 21.046 -3.814 1121 HD2 HIS 131 HD2 HIS 131 -1.816 17.459 -5.442 1122 HE1 HIS 131 HE1 HIS 131 0.707 20.811 -5.996 1123 HE2 HIS 131 HE2 HIS 131 -0.012 18.584 -6.903 1124 H HIS 132 H HIS 132 -5.614 21.171 -2.472 1125 HA HIS 132 HA HIS 132 -6.233 23.329 -2.778 1126 HB2 HIS 132 2HB HIS 132 -3.225 23.791 -2.965 1127 HB3 HIS 132 3HB HIS 132 -4.421 25.057 -2.705 1128 HD1 HIS 132 HD1 HIS 132 -2.148 24.544 -0.675 1129 HD2 HIS 132 HD2 HIS 132 -5.963 22.912 -0.360 1130 HE1 HIS 132 HE1 HIS 132 -2.456 23.991 1.758 1131 HE2 HIS 132 HE2 HIS 132 -4.782 23.064 1.926 1132 H HIS 133 H HIS 133 -6.068 21.621 -5.113 1133 HA HIS 133 HA HIS 133 -5.992 23.632 -7.271 1134 HB2 HIS 133 2HB HIS 133 -3.815 22.510 -7.406 1135 HB3 HIS 133 3HB HIS 133 -4.574 20.924 -7.337 1136 HD1 HIS 133 HD1 HIS 133 -4.756 23.979 -9.635 1137 HD2 HIS 133 HD2 HIS 133 -4.771 19.824 -9.835 1138 HE1 HIS 133 HE1 HIS 133 -4.897 23.419 -12.075 1139 HE2 HIS 133 HE2 HIS 133 -5.049 20.919 -12.163 1140 H HIS 134 H HIS 134 -7.807 23.521 -8.437 1141 HA HIS 134 HA HIS 134 -9.705 21.351 -8.070 1142 HB2 HIS 134 2HB HIS 134 -11.334 22.739 -9.164 1143 HB3 HIS 134 3HB HIS 134 -10.394 23.815 -8.133 1144 HD1 HIS 134 HD1 HIS 134 -11.157 23.044 -11.706 1145 HD2 HIS 134 HD2 HIS 134 -8.840 25.744 -9.555 1146 HE1 HIS 134 HE1 HIS 134 -10.394 24.759 -13.368 1147 HE2 HIS 134 HE2 HIS 134 -9.174 26.477 -12.011 Start of MODEL 12 1 H1 MET 1 1H MET 1 -0.667 13.223 -0.303 2 H2 MET 1 2H MET 1 -1.413 14.720 -0.521 3 H3 MET 1 3H MET 1 -0.200 14.543 0.640 4 HA MET 1 HA MET 1 0.156 14.271 -2.282 5 HB2 MET 1 2HB MET 1 1.093 16.477 -0.385 6 HB3 MET 1 3HB MET 1 1.502 16.365 -2.094 7 HG2 MET 1 2HG MET 1 -0.220 18.020 -1.804 8 HG3 MET 1 3HG MET 1 -0.908 16.636 -2.654 9 HE1 MET 1 1HE MET 1 -3.356 17.805 -2.032 10 HE2 MET 1 2HE MET 1 -2.514 19.056 -1.115 11 HE3 MET 1 3HE MET 1 -3.830 18.149 -0.368 12 H GLY 2 H GLY 2 1.927 13.034 -2.808 13 HA2 GLY 2 2HA GLY 2 3.834 11.740 -2.548 14 HA3 GLY 2 3HA GLY 2 4.168 12.570 -1.033 15 H THR 3 H THR 3 1.037 11.391 -1.241 16 HA THR 3 HA THR 3 1.045 9.860 1.056 17 HB THR 3 HB THR 3 -0.950 9.762 -1.259 18 HG1 THR 3 HG1 THR 3 -0.858 11.514 0.992 19 HG21 THR 3 1HG2 THR 3 -1.307 9.225 1.710 20 HG22 THR 3 2HG2 THR 3 -1.419 8.029 0.416 21 HG23 THR 3 3HG2 THR 3 -2.617 9.318 0.528 22 H VAL 4 H VAL 4 1.401 7.689 1.497 23 HA VAL 4 HA VAL 4 2.288 5.974 -0.757 24 HB VAL 4 HB VAL 4 3.168 5.796 2.166 25 HG11 VAL 4 1HG1 VAL 4 3.288 3.637 0.973 26 HG12 VAL 4 2HG1 VAL 4 4.900 4.254 1.339 27 HG13 VAL 4 3HG1 VAL 4 4.258 4.387 -0.300 28 HG21 VAL 4 1HG2 VAL 4 5.329 6.741 1.417 29 HG22 VAL 4 2HG2 VAL 4 4.005 7.879 1.160 30 HG23 VAL 4 3HG2 VAL 4 4.666 6.976 -0.205 31 H VAL 5 H VAL 5 0.892 4.414 -1.222 32 HA VAL 5 HA VAL 5 -0.837 3.193 0.834 33 HB VAL 5 HB VAL 5 -0.975 2.982 -2.217 34 HG11 VAL 5 1HG1 VAL 5 -2.935 1.946 -0.135 35 HG12 VAL 5 2HG1 VAL 5 -1.883 0.959 -1.154 36 HG13 VAL 5 3HG1 VAL 5 -3.180 1.909 -1.883 37 HG21 VAL 5 1HG2 VAL 5 -1.546 5.250 -1.429 38 HG22 VAL 5 2HG2 VAL 5 -2.751 4.575 -0.328 39 HG23 VAL 5 3HG2 VAL 5 -2.970 4.426 -2.074 40 H ILE 6 H ILE 6 -0.234 1.209 1.620 41 HA ILE 6 HA ILE 6 1.866 -0.341 0.217 42 HB ILE 6 HB ILE 6 1.001 -0.435 3.150 43 HG12 ILE 6 2HG1 ILE 6 2.215 1.637 2.682 44 HG13 ILE 6 3HG1 ILE 6 3.266 0.566 3.603 45 HG21 ILE 6 1HG2 ILE 6 1.787 -2.646 2.442 46 HG22 ILE 6 2HG2 ILE 6 2.964 -1.903 3.524 47 HG23 ILE 6 3HG2 ILE 6 3.268 -1.939 1.786 48 HD11 ILE 6 1HD1 ILE 6 4.433 -0.046 1.522 49 HD12 ILE 6 2HD1 ILE 6 4.488 1.685 1.853 50 HD13 ILE 6 3HD1 ILE 6 3.386 1.063 0.628 51 H VAL 7 H VAL 7 1.202 -2.110 -0.833 52 HA VAL 7 HA VAL 7 -1.213 -3.580 0.065 53 HB VAL 7 HB VAL 7 -0.069 -3.439 -2.766 54 HG11 VAL 7 1HG1 VAL 7 -1.171 -5.589 -2.312 55 HG12 VAL 7 2HG1 VAL 7 -2.129 -4.631 -3.443 56 HG13 VAL 7 3HG1 VAL 7 -2.621 -4.749 -1.751 57 HG21 VAL 7 1HG2 VAL 7 -2.075 -2.107 -3.342 58 HG22 VAL 7 2HG2 VAL 7 -1.083 -1.287 -2.132 59 HG23 VAL 7 3HG2 VAL 7 -2.567 -2.110 -1.645 60 H VAL 8 H VAL 8 -0.756 -5.492 0.936 61 HA VAL 8 HA VAL 8 1.683 -7.002 0.134 62 HB VAL 8 HB VAL 8 0.368 -6.907 2.899 63 HG11 VAL 8 1HG1 VAL 8 2.268 -8.311 3.667 64 HG12 VAL 8 2HG1 VAL 8 2.832 -8.452 2.000 65 HG13 VAL 8 3HG1 VAL 8 1.275 -9.142 2.465 66 HG21 VAL 8 1HG2 VAL 8 1.617 -4.842 2.441 67 HG22 VAL 8 2HG2 VAL 8 3.050 -5.779 2.011 68 HG23 VAL 8 3HG2 VAL 8 2.449 -5.802 3.671 69 H SER 9 H SER 9 1.030 -8.746 -1.049 70 HA SER 9 HA SER 9 -0.878 -10.597 0.183 71 HB2 SER 9 2HB SER 9 -2.023 -11.047 -1.985 72 HB3 SER 9 3HB SER 9 -2.264 -9.384 -1.454 73 HG SER 9 HG SER 9 -0.474 -10.321 -3.440 74 H ARG 10 H ARG 10 -0.354 -12.720 -0.085 75 HA ARG 10 HA ARG 10 2.225 -13.571 -0.755 76 HB2 ARG 10 2HB ARG 10 -0.381 -15.144 -0.564 77 HB3 ARG 10 3HB ARG 10 1.188 -15.915 -0.772 78 HG2 ARG 10 2HG ARG 10 1.945 -15.058 1.379 79 HG3 ARG 10 3HG ARG 10 0.441 -14.161 1.591 80 HD2 ARG 10 2HD ARG 10 0.489 -16.266 2.904 81 HD3 ARG 10 3HD ARG 10 -0.826 -16.222 1.730 82 HE ARG 10 HE ARG 10 1.655 -17.616 1.003 83 HH11 ARG 10 1HH1 ARG 10 -1.735 -17.841 1.937 84 HH12 ARG 10 2HH1 ARG 10 -1.884 -19.500 1.457 85 HH21 ARG 10 1HH2 ARG 10 1.453 -19.804 0.409 86 HH22 ARG 10 2HH2 ARG 10 -0.067 -20.619 0.587 87 H ASP 11 H ASP 11 -0.648 -13.311 -2.712 88 HA ASP 11 HA ASP 11 0.494 -14.753 -4.992 89 HB2 ASP 11 2HB ASP 11 -2.273 -13.526 -4.626 90 HB3 ASP 11 3HB ASP 11 -1.769 -14.566 -5.955 91 H GLU 12 H GLU 12 1.285 -13.767 -6.739 92 HA GLU 12 HA GLU 12 1.792 -10.958 -6.786 93 HB2 GLU 12 2HB GLU 12 2.234 -13.046 -8.957 94 HB3 GLU 12 3HB GLU 12 2.901 -11.412 -8.962 95 HG2 GLU 12 2HG GLU 12 4.122 -11.972 -6.841 96 HG3 GLU 12 3HG GLU 12 3.539 -13.632 -7.003 97 H ARG 13 H ARG 13 -0.632 -13.016 -8.267 98 HA ARG 13 HA ARG 13 -1.433 -11.233 -10.317 99 HB2 ARG 13 2HB ARG 13 -2.892 -13.547 -9.033 100 HB3 ARG 13 3HB ARG 13 -3.621 -12.562 -10.298 101 HG2 ARG 13 2HG ARG 13 -1.614 -13.157 -11.753 102 HG3 ARG 13 3HG ARG 13 -1.181 -14.347 -10.518 103 HD2 ARG 13 2HD ARG 13 -2.456 -15.396 -12.337 104 HD3 ARG 13 3HD ARG 13 -3.371 -15.458 -10.827 105 HE ARG 13 HE ARG 13 -3.883 -13.562 -13.057 106 HH11 ARG 13 1HH1 ARG 13 -5.123 -15.421 -10.324 107 HH12 ARG 13 2HH1 ARG 13 -6.766 -14.939 -10.597 108 HH21 ARG 13 1HH2 ARG 13 -6.027 -12.918 -13.360 109 HH22 ARG 13 2HH2 ARG 13 -7.277 -13.522 -12.316 110 H ILE 14 H ILE 14 -2.529 -11.641 -6.936 111 HA ILE 14 HA ILE 14 -4.728 -9.899 -6.969 112 HB ILE 14 HB ILE 14 -2.757 -10.364 -4.676 113 HG12 ILE 14 2HG1 ILE 14 -5.435 -11.731 -5.249 114 HG13 ILE 14 3HG1 ILE 14 -3.852 -12.458 -5.488 115 HG21 ILE 14 1HG2 ILE 14 -5.570 -9.197 -4.559 116 HG22 ILE 14 2HG2 ILE 14 -4.068 -8.306 -4.305 117 HG23 ILE 14 3HG2 ILE 14 -4.549 -9.563 -3.167 118 HD11 ILE 14 1HD1 ILE 14 -3.435 -12.329 -3.068 119 HD12 ILE 14 2HD1 ILE 14 -4.868 -13.277 -3.460 120 HD13 ILE 14 3HD1 ILE 14 -5.045 -11.638 -2.837 121 H LEU 15 H LEU 15 -1.276 -9.269 -6.481 122 HA LEU 15 HA LEU 15 -1.308 -6.517 -5.973 123 HB2 LEU 15 2HB LEU 15 0.818 -8.152 -7.393 124 HB3 LEU 15 3HB LEU 15 1.067 -6.553 -6.710 125 HG LEU 15 HG LEU 15 0.384 -9.038 -5.091 126 HD11 LEU 15 1HD1 LEU 15 3.056 -7.656 -5.461 127 HD12 LEU 15 2HD1 LEU 15 2.590 -9.232 -6.113 128 HD13 LEU 15 3HD1 LEU 15 2.720 -9.005 -4.371 129 HD21 LEU 15 1HD2 LEU 15 1.211 -6.261 -4.166 130 HD22 LEU 15 2HD2 LEU 15 0.984 -7.673 -3.128 131 HD23 LEU 15 3HD2 LEU 15 -0.389 -6.989 -3.991 132 H GLU 16 H GLU 16 -1.013 -8.244 -9.122 133 HA GLU 16 HA GLU 16 -0.718 -5.775 -10.615 134 HB2 GLU 16 2HB GLU 16 -0.519 -7.172 -12.605 135 HB3 GLU 16 3HB GLU 16 0.515 -7.768 -11.313 136 HG2 GLU 16 2HG GLU 16 -1.343 -9.457 -10.809 137 HG3 GLU 16 3HG GLU 16 -2.062 -8.967 -12.340 138 H GLU 17 H GLU 17 -3.390 -7.796 -9.710 139 HA GLU 17 HA GLU 17 -5.338 -6.748 -11.520 140 HB2 GLU 17 2HB GLU 17 -5.599 -7.941 -8.722 141 HB3 GLU 17 3HB GLU 17 -6.983 -7.462 -9.693 142 HG2 GLU 17 2HG GLU 17 -4.964 -9.582 -10.470 143 HG3 GLU 17 3HG GLU 17 -6.539 -9.896 -9.755 144 H LEU 18 H LEU 18 -4.269 -5.900 -8.237 145 HA LEU 18 HA LEU 18 -5.898 -3.570 -7.941 146 HB2 LEU 18 2HB LEU 18 -3.437 -4.445 -6.380 147 HB3 LEU 18 3HB LEU 18 -4.534 -3.157 -5.897 148 HG LEU 18 HG LEU 18 -5.161 -6.128 -6.053 149 HD11 LEU 18 1HD1 LEU 18 -5.565 -5.964 -3.645 150 HD12 LEU 18 2HD1 LEU 18 -5.097 -4.261 -3.670 151 HD13 LEU 18 3HD1 LEU 18 -3.913 -5.513 -4.060 152 HD21 LEU 18 1HD2 LEU 18 -7.417 -5.594 -5.265 153 HD22 LEU 18 2HD2 LEU 18 -7.101 -4.912 -6.856 154 HD23 LEU 18 3HD2 LEU 18 -7.076 -3.871 -5.428 155 H LEU 19 H LEU 19 -2.825 -4.186 -9.408 156 HA LEU 19 HA LEU 19 -1.714 -1.601 -9.496 157 HB2 LEU 19 2HB LEU 19 -0.428 -3.591 -10.151 158 HB3 LEU 19 3HB LEU 19 -1.519 -3.886 -11.492 159 HG LEU 19 HG LEU 19 -0.736 -1.763 -12.574 160 HD11 LEU 19 1HD1 LEU 19 1.281 -0.644 -11.743 161 HD12 LEU 19 2HD1 LEU 19 1.253 -1.661 -10.299 162 HD13 LEU 19 3HD1 LEU 19 -0.059 -0.520 -10.606 163 HD21 LEU 19 1HD2 LEU 19 1.496 -3.714 -11.941 164 HD22 LEU 19 2HD2 LEU 19 1.448 -2.578 -13.296 165 HD23 LEU 19 3HD2 LEU 19 0.283 -3.899 -13.211 166 H GLU 20 H GLU 20 -3.754 -3.339 -11.885 167 HA GLU 20 HA GLU 20 -4.191 -1.172 -13.625 168 HB2 GLU 20 2HB GLU 20 -5.840 -3.685 -13.151 169 HB3 GLU 20 3HB GLU 20 -6.262 -2.485 -14.375 170 HG2 GLU 20 2HG GLU 20 -3.916 -2.839 -15.331 171 HG3 GLU 20 3HG GLU 20 -3.806 -4.244 -14.268 172 H VAL 21 H VAL 21 -5.899 -2.176 -10.700 173 HA VAL 21 HA VAL 21 -8.196 -0.587 -10.863 174 HB VAL 21 HB VAL 21 -6.631 -1.498 -8.407 175 HG11 VAL 21 1HG1 VAL 21 -7.948 0.464 -7.735 176 HG12 VAL 21 2HG1 VAL 21 -8.666 -0.998 -7.057 177 HG13 VAL 21 3HG1 VAL 21 -9.400 -0.225 -8.465 178 HG21 VAL 21 1HG2 VAL 21 -8.398 -3.209 -8.228 179 HG22 VAL 21 2HG2 VAL 21 -7.595 -3.299 -9.793 180 HG23 VAL 21 3HG2 VAL 21 -9.188 -2.558 -9.668 181 H VAL 22 H VAL 22 -4.948 0.256 -9.603 182 HA VAL 22 HA VAL 22 -5.551 2.930 -8.847 183 HB VAL 22 HB VAL 22 -2.832 1.884 -9.772 184 HG11 VAL 22 1HG1 VAL 22 -3.584 4.308 -8.093 185 HG12 VAL 22 2HG1 VAL 22 -2.918 4.325 -9.727 186 HG13 VAL 22 3HG1 VAL 22 -1.934 3.756 -8.378 187 HG21 VAL 22 1HG2 VAL 22 -3.951 1.955 -6.945 188 HG22 VAL 22 2HG2 VAL 22 -2.312 1.476 -7.400 189 HG23 VAL 22 3HG2 VAL 22 -3.692 0.505 -7.917 190 H LEU 23 H LEU 23 -4.182 1.512 -11.810 191 HA LEU 23 HA LEU 23 -3.483 3.938 -13.080 192 HB2 LEU 23 2HB LEU 23 -3.933 1.185 -14.294 193 HB3 LEU 23 3HB LEU 23 -3.115 2.519 -15.099 194 HG LEU 23 HG LEU 23 -2.129 1.164 -12.554 195 HD11 LEU 23 1HD1 LEU 23 -1.116 0.822 -15.387 196 HD12 LEU 23 2HD1 LEU 23 -1.989 -0.377 -14.428 197 HD13 LEU 23 3HD1 LEU 23 -0.382 0.145 -13.930 198 HD21 LEU 23 1HD2 LEU 23 -0.028 2.382 -12.934 199 HD22 LEU 23 2HD2 LEU 23 -1.380 3.481 -12.663 200 HD23 LEU 23 3HD2 LEU 23 -0.756 3.234 -14.299 201 H LYS 24 H LYS 24 -6.479 2.082 -13.097 202 HA LYS 24 HA LYS 24 -7.666 3.595 -15.309 203 HB2 LYS 24 2HB LYS 24 -9.028 1.557 -13.484 204 HB3 LYS 24 3HB LYS 24 -9.647 2.182 -15.010 205 HG2 LYS 24 2HG LYS 24 -7.204 0.426 -14.664 206 HG3 LYS 24 3HG LYS 24 -8.778 -0.101 -15.249 207 HD2 LYS 24 2HD LYS 24 -8.528 1.184 -17.285 208 HD3 LYS 24 3HD LYS 24 -7.076 1.985 -16.673 209 HE2 LYS 24 2HE LYS 24 -6.561 0.178 -18.316 210 HE3 LYS 24 3HE LYS 24 -5.832 -0.117 -16.739 211 HZ1 LYS 24 1HZ LYS 24 -6.808 -2.125 -17.651 212 HZ2 LYS 24 2HZ LYS 24 -8.321 -1.383 -17.762 213 HZ3 LYS 24 3HZ LYS 24 -7.629 -1.665 -16.249 214 H SER 25 H SER 25 -7.711 3.513 -11.784 215 HA SER 25 HA SER 25 -9.981 5.204 -11.373 216 HB2 SER 25 2HB SER 25 -9.069 3.687 -9.604 217 HB3 SER 25 3HB SER 25 -7.610 4.670 -9.515 218 HG SER 25 HG SER 25 -9.217 5.131 -7.891 219 H ASP 26 H ASP 26 -6.484 5.776 -11.533 220 HA ASP 26 HA ASP 26 -6.738 8.452 -12.510 221 HB2 ASP 26 2HB ASP 26 -7.108 8.739 -10.011 222 HB3 ASP 26 3HB ASP 26 -5.493 8.100 -9.741 223 HA PRO 27 HA PRO 27 -2.818 6.641 -13.951 224 HB2 PRO 27 2HB PRO 27 -2.498 8.547 -16.049 225 HB3 PRO 27 3HB PRO 27 -3.324 6.987 -16.159 226 HG2 PRO 27 2HG PRO 27 -4.532 9.546 -16.355 227 HG3 PRO 27 3HG PRO 27 -5.352 7.975 -16.272 228 HD2 PRO 27 2HD PRO 27 -4.906 9.981 -14.108 229 HD3 PRO 27 3HD PRO 27 -6.211 8.786 -14.299 230 H ASN 28 H ASN 28 -3.225 9.730 -12.564 231 HA ASN 28 HA ASN 28 -0.514 10.726 -12.997 232 HB2 ASN 28 2HB ASN 28 -2.609 11.892 -11.112 233 HB3 ASN 28 3HB ASN 28 -1.218 12.711 -11.814 234 HD21 ASN 28 1HD2 ASN 28 -4.478 11.654 -12.322 235 HD22 ASN 28 2HD2 ASN 28 -4.732 12.466 -13.829 236 H VAL 29 H VAL 29 -2.086 8.659 -10.795 237 HA VAL 29 HA VAL 29 -0.307 9.028 -8.542 238 HB VAL 29 HB VAL 29 -2.188 6.696 -9.167 239 HG11 VAL 29 1HG1 VAL 29 -2.047 6.171 -6.755 240 HG12 VAL 29 2HG1 VAL 29 -0.879 7.478 -6.534 241 HG13 VAL 29 3HG1 VAL 29 -0.458 6.078 -7.521 242 HG21 VAL 29 1HG2 VAL 29 -2.687 9.160 -7.456 243 HG22 VAL 29 2HG2 VAL 29 -3.787 7.793 -7.629 244 HG23 VAL 29 3HG2 VAL 29 -3.429 8.814 -9.019 245 H LYS 30 H LYS 30 1.693 8.155 -8.353 246 HA LYS 30 HA LYS 30 2.880 6.437 -10.332 247 HB2 LYS 30 2HB LYS 30 4.271 8.058 -9.137 248 HB3 LYS 30 3HB LYS 30 3.850 7.351 -7.584 249 HG2 LYS 30 2HG LYS 30 6.128 6.728 -8.243 250 HG3 LYS 30 3HG LYS 30 5.090 5.300 -8.157 251 HD2 LYS 30 2HD LYS 30 4.833 5.385 -10.650 252 HD3 LYS 30 3HD LYS 30 5.942 6.760 -10.690 253 HE2 LYS 30 2HE LYS 30 6.620 3.968 -9.708 254 HE3 LYS 30 3HE LYS 30 7.074 4.649 -11.268 255 HZ1 LYS 30 1HZ LYS 30 7.964 5.639 -8.614 256 HZ2 LYS 30 2HZ LYS 30 8.369 6.334 -10.097 257 HZ3 LYS 30 3HZ LYS 30 8.897 4.777 -9.726 258 H THR 31 H THR 31 3.219 4.245 -10.244 259 HA THR 31 HA THR 31 2.477 2.709 -7.824 260 HB THR 31 HB THR 31 1.681 0.872 -9.358 261 HG1 THR 31 HG1 THR 31 2.264 1.155 -11.377 262 HG21 THR 31 1HG2 THR 31 0.145 3.460 -9.704 263 HG22 THR 31 2HG2 THR 31 0.024 2.384 -8.308 264 HG23 THR 31 3HG2 THR 31 -0.501 1.832 -9.904 265 H VAL 32 H VAL 32 3.773 1.037 -7.352 266 HA VAL 32 HA VAL 32 6.025 0.239 -9.076 267 HB VAL 32 HB VAL 32 6.304 0.994 -6.110 268 HG11 VAL 32 1HG1 VAL 32 7.685 -0.968 -6.636 269 HG12 VAL 32 2HG1 VAL 32 8.701 0.445 -6.344 270 HG13 VAL 32 3HG1 VAL 32 8.415 -0.110 -7.996 271 HG21 VAL 32 1HG2 VAL 32 7.554 2.323 -8.536 272 HG22 VAL 32 2HG2 VAL 32 7.862 2.751 -6.851 273 HG23 VAL 32 3HG2 VAL 32 6.256 2.990 -7.545 274 H ARG 33 H ARG 33 6.165 -1.975 -9.103 275 HA ARG 33 HA ARG 33 5.187 -3.485 -6.744 276 HB2 ARG 33 2HB ARG 33 3.642 -3.878 -8.629 277 HB3 ARG 33 3HB ARG 33 4.981 -4.359 -9.667 278 HG2 ARG 33 2HG ARG 33 5.366 -6.366 -8.395 279 HG3 ARG 33 3HG ARG 33 4.289 -5.832 -7.102 280 HD2 ARG 33 2HD ARG 33 3.220 -7.560 -8.447 281 HD3 ARG 33 3HD ARG 33 2.359 -6.032 -8.620 282 HE ARG 33 HE ARG 33 3.803 -5.855 -10.767 283 HH11 ARG 33 1HH1 ARG 33 2.428 -8.855 -9.525 284 HH12 ARG 33 2HH1 ARG 33 2.291 -9.585 -11.091 285 HH21 ARG 33 1HH2 ARG 33 3.550 -6.784 -12.817 286 HH22 ARG 33 2HH2 ARG 33 2.936 -8.399 -12.968 287 H THR 34 H THR 34 7.265 -3.286 -5.907 288 HA THR 34 HA THR 34 9.144 -5.347 -6.926 289 HB THR 34 HB THR 34 10.229 -3.118 -7.068 290 HG1 THR 34 HG1 THR 34 12.019 -3.997 -6.376 291 HG21 THR 34 1HG2 THR 34 8.960 -1.929 -5.315 292 HG22 THR 34 2HG2 THR 34 10.699 -1.782 -5.052 293 HG23 THR 34 3HG2 THR 34 9.749 -2.901 -4.074 294 H ASP 35 H ASP 35 10.219 -6.563 -5.177 295 HA ASP 35 HA ASP 35 8.612 -6.724 -2.711 296 HB2 ASP 35 2HB ASP 35 9.398 -8.967 -2.420 297 HB3 ASP 35 3HB ASP 35 8.941 -8.813 -4.109 298 H ASP 36 H ASP 36 11.623 -5.661 -3.946 299 HA ASP 36 HA ASP 36 13.236 -5.775 -1.576 300 HB2 ASP 36 2HB ASP 36 13.448 -3.972 -4.041 301 HB3 ASP 36 3HB ASP 36 14.696 -4.134 -2.807 302 H LYS 37 H LYS 37 12.673 -4.652 0.241 303 HA LYS 37 HA LYS 37 11.049 -2.317 0.284 304 HB2 LYS 37 2HB LYS 37 11.321 -2.236 2.652 305 HB3 LYS 37 3HB LYS 37 11.242 -3.932 2.221 306 HG2 LYS 37 2HG LYS 37 13.818 -2.451 2.853 307 HG3 LYS 37 3HG LYS 37 12.876 -3.371 4.030 308 HD2 LYS 37 2HD LYS 37 13.199 -5.418 2.644 309 HD3 LYS 37 3HD LYS 37 14.214 -4.485 1.536 310 HE2 LYS 37 2HE LYS 37 15.774 -4.019 3.415 311 HE3 LYS 37 3HE LYS 37 14.768 -5.009 4.478 312 HZ1 LYS 37 1HZ LYS 37 16.176 -5.965 2.042 313 HZ2 LYS 37 2HZ LYS 37 15.222 -6.908 3.069 314 HZ3 LYS 37 3HZ LYS 37 16.655 -6.237 3.640 315 H GLU 38 H GLU 38 14.411 -2.758 -0.222 316 HA GLU 38 HA GLU 38 15.430 -0.191 0.416 317 HB2 GLU 38 2HB GLU 38 16.345 -2.081 -1.818 318 HB3 GLU 38 3HB GLU 38 17.246 -0.693 -1.222 319 HG2 GLU 38 2HG GLU 38 18.335 -2.441 -0.193 320 HG3 GLU 38 3HG GLU 38 17.216 -1.939 1.068 321 H LYS 39 H LYS 39 14.262 -1.640 -2.594 322 HA LYS 39 HA LYS 39 14.523 0.587 -4.288 323 HB2 LYS 39 2HB LYS 39 14.340 -1.799 -5.041 324 HB3 LYS 39 3HB LYS 39 12.649 -1.804 -4.562 325 HG2 LYS 39 2HG LYS 39 12.768 -1.542 -6.953 326 HG3 LYS 39 3HG LYS 39 12.201 -0.018 -6.259 327 HD2 LYS 39 2HD LYS 39 14.474 0.937 -6.485 328 HD3 LYS 39 3HD LYS 39 15.061 -0.599 -7.136 329 HE2 LYS 39 2HE LYS 39 13.482 -0.347 -9.048 330 HE3 LYS 39 3HE LYS 39 12.995 1.225 -8.408 331 HZ1 LYS 39 1HZ LYS 39 15.307 1.957 -8.646 332 HZ2 LYS 39 2HZ LYS 39 14.629 1.498 -10.124 333 HZ3 LYS 39 3HZ LYS 39 15.711 0.467 -9.335 334 H VAL 40 H VAL 40 11.794 -0.648 -2.384 335 HA VAL 40 HA VAL 40 9.753 1.093 -3.090 336 HB VAL 40 HB VAL 40 10.364 -0.087 -0.335 337 HG11 VAL 40 1HG1 VAL 40 8.814 1.785 -0.094 338 HG12 VAL 40 2HG1 VAL 40 7.956 0.265 0.162 339 HG13 VAL 40 3HG1 VAL 40 7.781 1.129 -1.365 340 HG21 VAL 40 1HG2 VAL 40 8.496 -1.118 -2.506 341 HG22 VAL 40 2HG2 VAL 40 8.731 -1.844 -0.913 342 HG23 VAL 40 3HG2 VAL 40 10.057 -1.817 -2.075 343 H LYS 41 H LYS 41 12.169 1.484 -0.453 344 HA LYS 41 HA LYS 41 11.285 3.980 0.501 345 HB2 LYS 41 2HB LYS 41 14.014 2.648 0.669 346 HB3 LYS 41 3HB LYS 41 13.641 4.168 1.487 347 HG2 LYS 41 2HG LYS 41 11.868 3.056 2.773 348 HG3 LYS 41 3HG LYS 41 12.231 1.524 1.964 349 HD2 LYS 41 2HD LYS 41 14.516 1.560 2.910 350 HD3 LYS 41 3HD LYS 41 14.179 3.108 3.692 351 HE2 LYS 41 2HE LYS 41 12.445 2.038 5.066 352 HE3 LYS 41 3HE LYS 41 12.754 0.494 4.264 353 HZ1 LYS 41 1HZ LYS 41 13.885 0.547 6.352 354 HZ2 LYS 41 2HZ LYS 41 14.652 2.006 5.978 355 HZ3 LYS 41 3HZ LYS 41 15.046 0.601 5.122 356 H GLU 42 H GLU 42 13.687 3.167 -1.963 357 HA GLU 42 HA GLU 42 14.750 5.728 -2.479 358 HB2 GLU 42 2HB GLU 42 14.443 3.289 -4.288 359 HB3 GLU 42 3HB GLU 42 15.350 4.730 -4.755 360 HG2 GLU 42 2HG GLU 42 16.941 4.379 -2.961 361 HG3 GLU 42 3HG GLU 42 15.987 3.043 -2.318 362 H GLU 43 H GLU 43 11.933 4.023 -3.867 363 HA GLU 43 HA GLU 43 11.374 6.198 -5.717 364 HB2 GLU 43 2HB GLU 43 9.817 3.633 -5.191 365 HB3 GLU 43 3HB GLU 43 9.473 4.798 -6.476 366 HG2 GLU 43 2HG GLU 43 11.938 4.407 -7.211 367 HG3 GLU 43 3HG GLU 43 11.870 2.983 -6.174 368 H ILE 44 H ILE 44 10.282 5.317 -2.505 369 HA ILE 44 HA ILE 44 8.073 7.153 -2.392 370 HB ILE 44 HB ILE 44 9.859 6.081 -0.141 371 HG12 ILE 44 2HG1 ILE 44 7.020 5.279 -0.936 372 HG13 ILE 44 3HG1 ILE 44 8.468 4.338 -1.255 373 HG21 ILE 44 1HG2 ILE 44 7.275 7.668 0.138 374 HG22 ILE 44 2HG2 ILE 44 8.891 8.233 0.564 375 HG23 ILE 44 3HG2 ILE 44 8.160 6.906 1.464 376 HD11 ILE 44 1HD1 ILE 44 7.330 4.972 1.465 377 HD12 ILE 44 2HD1 ILE 44 8.807 4.054 1.155 378 HD13 ILE 44 3HD1 ILE 44 7.251 3.428 0.614 379 H GLU 45 H GLU 45 11.560 7.346 -1.937 380 HA GLU 45 HA GLU 45 11.740 10.015 -0.949 381 HB2 GLU 45 2HB GLU 45 13.459 7.874 -1.087 382 HB3 GLU 45 3HB GLU 45 14.073 8.806 -2.440 383 HG2 GLU 45 2HG GLU 45 13.784 9.875 0.384 384 HG3 GLU 45 3HG GLU 45 15.255 9.141 -0.243 385 H LYS 46 H LYS 46 11.564 8.609 -4.171 386 HA LYS 46 HA LYS 46 12.186 11.051 -5.605 387 HB2 LYS 46 2HB LYS 46 10.985 8.420 -6.570 388 HB3 LYS 46 3HB LYS 46 11.441 9.756 -7.627 389 HG2 LYS 46 2HG LYS 46 13.801 9.526 -6.845 390 HG3 LYS 46 3HG LYS 46 13.313 8.140 -5.869 391 HD2 LYS 46 2HD LYS 46 14.313 7.330 -7.921 392 HD3 LYS 46 3HD LYS 46 12.585 6.972 -7.961 393 HE2 LYS 46 2HE LYS 46 12.195 8.859 -9.464 394 HE3 LYS 46 3HE LYS 46 13.888 9.346 -9.339 395 HZ1 LYS 46 1HZ LYS 46 14.503 7.206 -10.340 396 HZ2 LYS 46 2HZ LYS 46 13.546 8.143 -11.365 397 HZ3 LYS 46 3HZ LYS 46 12.866 6.831 -10.547 398 H ALA 47 H ALA 47 9.229 9.127 -4.963 399 HA ALA 47 HA ALA 47 7.370 10.827 -6.248 400 HB1 ALA 47 1HB ALA 47 6.861 8.858 -3.993 401 HB2 ALA 47 2HB ALA 47 6.889 8.469 -5.713 402 HB3 ALA 47 3HB ALA 47 5.641 9.542 -5.080 403 H ARG 48 H ARG 48 8.880 10.951 -3.157 404 HA ARG 48 HA ARG 48 7.318 12.708 -1.681 405 HB2 ARG 48 2HB ARG 48 9.415 11.499 -0.910 406 HB3 ARG 48 3HB ARG 48 10.369 12.648 -1.842 407 HG2 ARG 48 2HG ARG 48 10.417 13.366 0.439 408 HG3 ARG 48 3HG ARG 48 9.385 14.497 -0.441 409 HD2 ARG 48 2HD ARG 48 7.381 13.241 0.382 410 HD3 ARG 48 3HD ARG 48 8.452 12.208 1.340 411 HE ARG 48 HE ARG 48 7.620 14.910 1.904 412 HH11 ARG 48 1HH1 ARG 48 10.085 12.495 2.613 413 HH12 ARG 48 2HH1 ARG 48 10.541 13.239 4.106 414 HH21 ARG 48 1HH2 ARG 48 8.234 15.870 3.821 415 HH22 ARG 48 2HH2 ARG 48 9.481 15.168 4.795 416 H LYS 49 H LYS 49 10.031 13.465 -3.889 417 HA LYS 49 HA LYS 49 9.784 16.299 -3.736 418 HB2 LYS 49 2HB LYS 49 11.153 14.624 -5.890 419 HB3 LYS 49 3HB LYS 49 11.412 16.343 -5.594 420 HG2 LYS 49 2HG LYS 49 12.354 15.803 -3.359 421 HG3 LYS 49 3HG LYS 49 12.126 14.080 -3.691 422 HD2 LYS 49 2HD LYS 49 13.643 14.304 -5.670 423 HD3 LYS 49 3HD LYS 49 13.914 15.998 -5.247 424 HE2 LYS 49 2HE LYS 49 15.778 14.639 -4.461 425 HE3 LYS 49 3HE LYS 49 14.884 15.254 -3.070 426 HZ1 LYS 49 1HZ LYS 49 15.516 12.879 -2.912 427 HZ2 LYS 49 2HZ LYS 49 14.492 12.540 -4.212 428 HZ3 LYS 49 3HZ LYS 49 13.854 13.136 -2.767 429 H GLN 50 H GLN 50 8.493 13.844 -5.878 430 HA GLN 50 HA GLN 50 7.456 15.540 -7.930 431 HB2 GLN 50 2HB GLN 50 6.698 12.695 -7.112 432 HB3 GLN 50 3HB GLN 50 6.165 13.487 -8.593 433 HG2 GLN 50 2HG GLN 50 8.433 13.570 -9.443 434 HG3 GLN 50 3HG GLN 50 9.076 12.967 -7.916 435 HE21 GLN 50 1HE2 GLN 50 7.304 12.110 -10.805 436 HE22 GLN 50 2HE2 GLN 50 7.471 10.403 -10.643 437 H GLY 51 H GLY 51 6.271 14.482 -4.800 438 HA2 GLY 51 2HA GLY 51 4.532 15.234 -3.507 439 HA3 GLY 51 3HA GLY 51 4.108 16.381 -4.766 440 H ARG 52 H ARG 52 4.232 13.380 -6.192 441 HA ARG 52 HA ARG 52 1.322 13.131 -6.271 442 HB2 ARG 52 2HB ARG 52 1.689 11.532 -8.098 443 HB3 ARG 52 3HB ARG 52 2.638 12.985 -8.386 444 HG2 ARG 52 2HG ARG 52 4.648 11.736 -7.451 445 HG3 ARG 52 3HG ARG 52 3.649 10.282 -7.451 446 HD2 ARG 52 2HD ARG 52 4.250 11.944 -9.926 447 HD3 ARG 52 3HD ARG 52 5.151 10.506 -9.449 448 HE ARG 52 HE ARG 52 2.449 9.795 -9.601 449 HH11 ARG 52 1HH1 ARG 52 4.933 10.924 -11.842 450 HH12 ARG 52 2HH1 ARG 52 4.252 10.088 -13.200 451 HH21 ARG 52 1HH2 ARG 52 1.632 8.635 -11.381 452 HH22 ARG 52 2HH2 ARG 52 2.375 8.785 -12.937 453 HA PRO 53 HA PRO 53 1.260 9.675 -3.343 454 HB2 PRO 53 2HB PRO 53 -0.957 8.294 -4.291 455 HB3 PRO 53 3HB PRO 53 -1.061 9.756 -3.290 456 HG2 PRO 53 2HG PRO 53 -1.311 9.495 -6.267 457 HG3 PRO 53 3HG PRO 53 -2.279 10.470 -5.138 458 HD2 PRO 53 2HD PRO 53 -0.316 11.562 -6.650 459 HD3 PRO 53 3HD PRO 53 -0.675 12.162 -5.015 460 H ILE 54 H ILE 54 2.076 7.604 -3.288 461 HA ILE 54 HA ILE 54 2.588 6.181 -5.829 462 HB ILE 54 HB ILE 54 4.682 7.162 -4.998 463 HG12 ILE 54 2HG1 ILE 54 4.677 4.142 -4.562 464 HG13 ILE 54 3HG1 ILE 54 4.741 4.938 -6.131 465 HG21 ILE 54 1HG2 ILE 54 5.700 6.542 -2.847 466 HG22 ILE 54 2HG2 ILE 54 4.262 5.609 -2.428 467 HG23 ILE 54 3HG2 ILE 54 4.150 7.360 -2.612 468 HD11 ILE 54 1HD1 ILE 54 6.839 5.113 -3.971 469 HD12 ILE 54 2HD1 ILE 54 6.893 5.933 -5.535 470 HD13 ILE 54 3HD1 ILE 54 6.923 4.173 -5.461 471 H VAL 55 H VAL 55 2.076 4.039 -5.846 472 HA VAL 55 HA VAL 55 0.972 2.808 -3.383 473 HB VAL 55 HB VAL 55 0.088 2.172 -6.247 474 HG11 VAL 55 1HG1 VAL 55 -1.758 0.949 -5.140 475 HG12 VAL 55 2HG1 VAL 55 -1.083 1.350 -3.560 476 HG13 VAL 55 3HG1 VAL 55 -0.185 0.304 -4.662 477 HG21 VAL 55 1HG2 VAL 55 -0.612 4.464 -5.679 478 HG22 VAL 55 2HG2 VAL 55 -1.355 3.884 -4.186 479 HG23 VAL 55 3HG2 VAL 55 -2.008 3.383 -5.749 480 H ILE 56 H ILE 56 2.133 1.138 -2.739 481 HA ILE 56 HA ILE 56 4.159 -0.089 -4.473 482 HB ILE 56 HB ILE 56 3.934 -0.076 -1.422 483 HG12 ILE 56 2HG1 ILE 56 4.434 2.198 -2.353 484 HG13 ILE 56 3HG1 ILE 56 5.769 1.560 -1.402 485 HG21 ILE 56 1HG2 ILE 56 6.197 -1.067 -3.197 486 HG22 ILE 56 2HG2 ILE 56 5.122 -2.062 -2.211 487 HG23 ILE 56 3HG2 ILE 56 6.252 -0.953 -1.436 488 HD11 ILE 56 1HD1 ILE 56 6.555 2.701 -3.378 489 HD12 ILE 56 2HD1 ILE 56 5.613 1.631 -4.414 490 HD13 ILE 56 3HD1 ILE 56 6.960 0.987 -3.468 491 H PHE 57 H PHE 57 4.100 -2.260 -4.863 492 HA PHE 57 HA PHE 57 2.042 -3.962 -3.574 493 HB2 PHE 57 2HB PHE 57 2.961 -4.094 -6.486 494 HB3 PHE 57 3HB PHE 57 1.751 -5.122 -5.734 495 HD1 PHE 57 HD1 PHE 57 -0.468 -4.132 -5.057 496 HD2 PHE 57 HD2 PHE 57 2.377 -1.933 -7.378 497 HE1 PHE 57 HE1 PHE 57 -2.230 -2.568 -5.749 498 HE2 PHE 57 HE2 PHE 57 0.603 -0.373 -8.061 499 HZ PHE 57 HZ PHE 57 -1.698 -0.692 -7.246 500 H ILE 58 H ILE 58 3.123 -5.417 -2.360 501 HA ILE 58 HA ILE 58 5.778 -6.415 -3.250 502 HB ILE 58 HB ILE 58 4.792 -6.128 -0.373 503 HG12 ILE 58 2HG1 ILE 58 6.882 -4.459 -1.852 504 HG13 ILE 58 3HG1 ILE 58 5.254 -3.919 -1.458 505 HG21 ILE 58 1HG2 ILE 58 6.346 -8.011 -0.635 506 HG22 ILE 58 2HG2 ILE 58 7.119 -6.704 0.263 507 HG23 ILE 58 3HG2 ILE 58 7.514 -6.960 -1.434 508 HD11 ILE 58 1HD1 ILE 58 7.418 -4.614 0.524 509 HD12 ILE 58 2HD1 ILE 58 5.776 -4.104 0.925 510 HD13 ILE 58 3HD1 ILE 58 6.860 -3.001 0.079 511 H ARG 59 H ARG 59 5.823 -8.513 -3.736 512 HA ARG 59 HA ARG 59 3.745 -10.383 -3.168 513 HB2 ARG 59 2HB ARG 59 5.161 -10.688 -5.141 514 HB3 ARG 59 3HB ARG 59 6.611 -10.795 -4.144 515 HG2 ARG 59 2HG ARG 59 5.527 -12.874 -3.082 516 HG3 ARG 59 3HG ARG 59 4.359 -12.810 -4.401 517 HD2 ARG 59 2HD ARG 59 6.225 -14.386 -4.830 518 HD3 ARG 59 3HD ARG 59 6.132 -13.104 -6.033 519 HE ARG 59 HE ARG 59 8.130 -12.222 -5.274 520 HH11 ARG 59 1HH1 ARG 59 7.198 -14.937 -3.225 521 HH12 ARG 59 2HH1 ARG 59 8.760 -15.064 -2.481 522 HH21 ARG 59 1HH2 ARG 59 10.156 -12.387 -4.277 523 HH22 ARG 59 2HH2 ARG 59 10.439 -13.609 -3.080 524 H GLY 60 H GLY 60 3.348 -10.872 -1.093 525 HA2 GLY 60 2HA GLY 60 3.543 -11.649 1.042 526 HA3 GLY 60 3HA GLY 60 4.821 -12.659 0.389 527 H ALA 61 H ALA 61 4.359 -9.231 1.345 528 HA ALA 61 HA ALA 61 7.032 -8.864 2.259 529 HB1 ALA 61 1HB ALA 61 5.591 -6.957 1.630 530 HB2 ALA 61 2HB ALA 61 6.198 -6.782 3.275 531 HB3 ALA 61 3HB ALA 61 4.535 -7.300 3.000 532 H THR 62 H THR 62 7.866 -9.907 3.970 533 HA THR 62 HA THR 62 6.315 -11.046 6.103 534 HB THR 62 HB THR 62 8.447 -12.069 5.335 535 HG1 THR 62 HG1 THR 62 7.875 -12.644 7.401 536 HG21 THR 62 1HG2 THR 62 10.620 -11.105 5.955 537 HG22 THR 62 2HG2 THR 62 9.812 -9.683 6.613 538 HG23 THR 62 3HG2 THR 62 9.740 -10.013 4.882 539 H GLU 63 H GLU 63 7.081 -10.499 8.464 540 HA GLU 63 HA GLU 63 5.766 -8.274 9.287 541 HB2 GLU 63 2HB GLU 63 8.144 -9.527 10.712 542 HB3 GLU 63 3HB GLU 63 6.959 -8.464 11.463 543 HG2 GLU 63 2HG GLU 63 5.204 -10.202 10.832 544 HG3 GLU 63 3HG GLU 63 6.549 -11.267 10.424 545 H GLU 64 H GLU 64 9.286 -8.496 8.981 546 HA GLU 64 HA GLU 64 9.935 -5.954 9.969 547 HB2 GLU 64 2HB GLU 64 12.209 -6.419 9.109 548 HB3 GLU 64 3HB GLU 64 11.541 -7.808 9.955 549 HG2 GLU 64 2HG GLU 64 10.874 -8.664 7.599 550 HG3 GLU 64 3HG GLU 64 11.984 -7.446 6.986 551 H VAL 65 H VAL 65 9.381 -7.098 6.644 552 HA VAL 65 HA VAL 65 10.269 -4.761 5.301 553 HB VAL 65 HB VAL 65 8.354 -6.964 4.379 554 HG11 VAL 65 1HG1 VAL 65 9.748 -4.855 2.686 555 HG12 VAL 65 2HG1 VAL 65 8.014 -4.960 2.994 556 HG13 VAL 65 3HG1 VAL 65 8.819 -6.223 2.061 557 HG21 VAL 65 1HG2 VAL 65 10.621 -7.785 4.939 558 HG22 VAL 65 2HG2 VAL 65 11.329 -6.599 3.838 559 HG23 VAL 65 3HG2 VAL 65 10.318 -7.902 3.203 560 H VAL 66 H VAL 66 7.016 -5.888 6.300 561 HA VAL 66 HA VAL 66 5.472 -3.876 5.091 562 HB VAL 66 HB VAL 66 4.748 -5.296 7.708 563 HG11 VAL 66 1HG1 VAL 66 2.985 -3.959 5.610 564 HG12 VAL 66 2HG1 VAL 66 3.304 -3.365 7.242 565 HG13 VAL 66 3HG1 VAL 66 2.393 -4.858 7.010 566 HG21 VAL 66 1HG2 VAL 66 4.162 -6.201 4.864 567 HG22 VAL 66 2HG2 VAL 66 3.581 -6.984 6.338 568 HG23 VAL 66 3HG2 VAL 66 5.308 -6.958 5.971 569 H ARG 67 H ARG 67 6.417 -4.128 8.549 570 HA ARG 67 HA ARG 67 5.234 -1.608 9.198 571 HB2 ARG 67 2HB ARG 67 6.090 -1.969 11.465 572 HB3 ARG 67 3HB ARG 67 5.340 -3.425 10.825 573 HG2 ARG 67 2HG ARG 67 7.711 -4.220 10.247 574 HG3 ARG 67 3HG ARG 67 8.288 -2.881 11.248 575 HD2 ARG 67 2HD ARG 67 8.163 -5.043 12.482 576 HD3 ARG 67 3HD ARG 67 7.142 -3.792 13.201 577 HE ARG 67 HE ARG 67 5.345 -4.962 11.665 578 HH11 ARG 67 1HH1 ARG 67 7.743 -6.576 13.679 579 HH12 ARG 67 2HH1 ARG 67 6.751 -7.983 13.901 580 HH21 ARG 67 1HH2 ARG 67 4.127 -6.814 11.902 581 HH22 ARG 67 2HH2 ARG 67 4.712 -8.110 12.897 582 H ASP 68 H ASP 68 8.477 -2.506 8.217 583 HA ASP 68 HA ASP 68 9.835 -0.184 9.202 584 HB2 ASP 68 2HB ASP 68 11.101 -2.198 8.745 585 HB3 ASP 68 3HB ASP 68 10.562 -2.228 7.071 586 H ILE 69 H ILE 69 8.275 -1.021 6.097 587 HA ILE 69 HA ILE 69 8.979 1.475 4.808 588 HB ILE 69 HB ILE 69 6.836 -0.559 4.070 589 HG12 ILE 69 2HG1 ILE 69 9.635 -0.188 2.896 590 HG13 ILE 69 3HG1 ILE 69 9.211 -1.424 4.076 591 HG21 ILE 69 1HG2 ILE 69 6.331 1.626 3.069 592 HG22 ILE 69 2HG2 ILE 69 6.872 0.502 1.823 593 HG23 ILE 69 3HG2 ILE 69 7.973 1.739 2.432 594 HD11 ILE 69 1HD1 ILE 69 7.645 -2.407 2.492 595 HD12 ILE 69 2HD1 ILE 69 9.281 -2.335 1.851 596 HD13 ILE 69 3HD1 ILE 69 8.073 -1.179 1.299 597 H VAL 70 H VAL 70 6.058 0.240 6.458 598 HA VAL 70 HA VAL 70 4.337 2.418 6.029 599 HB VAL 70 HB VAL 70 4.421 0.457 8.376 600 HG11 VAL 70 1HG1 VAL 70 2.188 2.400 7.654 601 HG12 VAL 70 2HG1 VAL 70 3.214 2.487 9.087 602 HG13 VAL 70 3HG1 VAL 70 2.091 1.140 8.889 603 HG21 VAL 70 1HG2 VAL 70 2.569 -0.687 7.202 604 HG22 VAL 70 2HG2 VAL 70 3.994 -0.584 6.168 605 HG23 VAL 70 3HG2 VAL 70 2.639 0.513 5.905 606 H GLU 71 H GLU 71 6.582 1.763 8.754 607 HA GLU 71 HA GLU 71 6.086 4.215 10.119 608 HB2 GLU 71 2HB GLU 71 7.843 3.636 11.627 609 HB3 GLU 71 3HB GLU 71 7.057 2.123 11.193 610 HG2 GLU 71 2HG GLU 71 8.897 1.614 9.628 611 HG3 GLU 71 3HG GLU 71 9.681 3.134 10.046 612 H TYR 72 H TYR 72 8.386 3.246 7.600 613 HA TYR 72 HA TYR 72 10.224 5.355 7.675 614 HB2 TYR 72 2HB TYR 72 10.651 3.454 6.213 615 HB3 TYR 72 3HB TYR 72 9.179 3.746 5.299 616 HD1 TYR 72 HD1 TYR 72 12.553 5.230 6.041 617 HD2 TYR 72 HD2 TYR 72 9.260 5.094 3.304 618 HE1 TYR 72 HE1 TYR 72 13.830 6.577 4.428 619 HE2 TYR 72 HE2 TYR 72 10.540 6.443 1.710 620 HH TYR 72 HH TYR 72 12.405 8.048 1.710 621 H ALA 73 H ALA 73 7.259 5.069 5.725 622 HA ALA 73 HA ALA 73 7.352 7.629 4.554 623 HB1 ALA 73 1HB ALA 73 5.024 7.176 3.880 624 HB2 ALA 73 2HB ALA 73 4.973 5.796 4.985 625 HB3 ALA 73 3HB ALA 73 6.065 5.781 3.597 626 H GLN 74 H GLN 74 5.823 6.436 7.525 627 HA GLN 74 HA GLN 74 4.386 8.764 8.242 628 HB2 GLN 74 2HB GLN 74 5.534 6.532 9.960 629 HB3 GLN 74 3HB GLN 74 4.467 7.791 10.584 630 HG2 GLN 74 2HG GLN 74 2.704 7.059 9.007 631 HG3 GLN 74 3HG GLN 74 3.769 5.780 8.430 632 HE21 GLN 74 1HE2 GLN 74 1.760 6.857 11.041 633 HE22 GLN 74 2HE2 GLN 74 1.745 5.362 11.900 634 H LYS 75 H LYS 75 7.728 7.753 8.962 635 HA LYS 75 HA LYS 75 8.332 10.012 10.648 636 HB2 LYS 75 2HB LYS 75 10.104 7.898 9.360 637 HB3 LYS 75 3HB LYS 75 10.732 9.169 10.409 638 HG2 LYS 75 2HG LYS 75 9.413 8.342 12.285 639 HG3 LYS 75 3HG LYS 75 8.642 7.129 11.260 640 HD2 LYS 75 2HD LYS 75 11.618 7.243 11.914 641 HD3 LYS 75 3HD LYS 75 10.451 6.168 12.685 642 HE2 LYS 75 2HE LYS 75 9.987 5.148 10.445 643 HE3 LYS 75 3HE LYS 75 11.256 6.162 9.758 644 HZ1 LYS 75 1HZ LYS 75 12.822 5.093 11.316 645 HZ2 LYS 75 2HZ LYS 75 12.134 4.004 10.226 646 HZ3 LYS 75 3HZ LYS 75 11.589 4.055 11.825 647 H GLU 76 H GLU 76 8.421 9.404 7.216 648 HA GLU 76 HA GLU 76 9.921 11.756 6.506 649 HB2 GLU 76 2HB GLU 76 7.953 10.100 4.856 650 HB3 GLU 76 3HB GLU 76 9.022 11.343 4.211 651 HG2 GLU 76 2HG GLU 76 9.831 8.691 5.427 652 HG3 GLU 76 3HG GLU 76 9.939 9.153 3.735 653 H GLY 77 H GLY 77 6.625 11.057 7.398 654 HA2 GLY 77 2HA GLY 77 5.114 12.673 8.216 655 HA3 GLY 77 3HA GLY 77 5.916 13.919 7.266 656 H LEU 78 H LEU 78 4.730 10.740 6.227 657 HA LEU 78 HA LEU 78 2.961 12.030 4.216 658 HB2 LEU 78 2HB LEU 78 4.513 9.406 4.028 659 HB3 LEU 78 3HB LEU 78 3.439 10.033 2.783 660 HG LEU 78 HG LEU 78 6.000 11.405 3.705 661 HD11 LEU 78 1HD1 LEU 78 5.527 9.775 1.192 662 HD12 LEU 78 2HD1 LEU 78 6.537 9.318 2.567 663 HD13 LEU 78 3HD1 LEU 78 6.981 10.702 1.573 664 HD21 LEU 78 1HD2 LEU 78 4.368 13.004 2.865 665 HD22 LEU 78 2HD2 LEU 78 4.137 12.052 1.396 666 HD23 LEU 78 3HD2 LEU 78 5.690 12.830 1.713 667 H ARG 79 H ARG 79 0.943 11.095 3.845 668 HA ARG 79 HA ARG 79 -0.336 9.674 5.985 669 HB2 ARG 79 2HB ARG 79 -1.436 11.445 4.536 670 HB3 ARG 79 3HB ARG 79 -1.385 10.317 3.187 671 HG2 ARG 79 2HG ARG 79 -2.822 8.750 4.607 672 HG3 ARG 79 3HG ARG 79 -3.010 10.090 5.741 673 HD2 ARG 79 2HD ARG 79 -3.899 10.026 2.833 674 HD3 ARG 79 3HD ARG 79 -4.940 9.984 4.258 675 HE ARG 79 HE ARG 79 -3.288 12.338 4.145 676 HH11 ARG 79 1HH1 ARG 79 -6.338 10.985 3.004 677 HH12 ARG 79 2HH1 ARG 79 -7.058 12.533 2.728 678 HH21 ARG 79 1HH2 ARG 79 -4.225 14.361 3.710 679 HH22 ARG 79 2HH2 ARG 79 -5.855 14.449 3.129 680 H VAL 80 H VAL 80 -0.510 7.468 6.162 681 HA VAL 80 HA VAL 80 0.278 5.785 3.847 682 HB VAL 80 HB VAL 80 0.520 5.036 6.803 683 HG11 VAL 80 1HG1 VAL 80 1.610 3.666 4.309 684 HG12 VAL 80 2HG1 VAL 80 0.276 3.087 5.310 685 HG13 VAL 80 3HG1 VAL 80 1.909 3.159 5.974 686 HG21 VAL 80 1HG2 VAL 80 2.696 5.990 4.895 687 HG22 VAL 80 2HG2 VAL 80 2.964 5.384 6.533 688 HG23 VAL 80 3HG2 VAL 80 2.065 6.882 6.283 689 H LEU 81 H LEU 81 -1.242 4.557 2.998 690 HA LEU 81 HA LEU 81 -3.624 3.664 4.551 691 HB2 LEU 81 2HB LEU 81 -3.358 4.102 1.527 692 HB3 LEU 81 3HB LEU 81 -4.779 3.484 2.338 693 HG LEU 81 HG LEU 81 -5.198 5.747 1.649 694 HD11 LEU 81 1HD1 LEU 81 -4.813 5.761 4.639 695 HD12 LEU 81 2HD1 LEU 81 -6.197 5.099 3.767 696 HD13 LEU 81 3HD1 LEU 81 -5.865 6.826 3.700 697 HD21 LEU 81 1HD2 LEU 81 -2.895 6.563 1.482 698 HD22 LEU 81 2HD2 LEU 81 -2.799 6.663 3.241 699 HD23 LEU 81 3HD2 LEU 81 -3.932 7.688 2.358 700 H VAL 82 H VAL 82 -3.487 1.432 4.920 701 HA VAL 82 HA VAL 82 -1.712 -0.170 3.162 702 HB VAL 82 HB VAL 82 -2.323 -0.730 6.097 703 HG11 VAL 82 1HG1 VAL 82 -0.466 -2.371 5.954 704 HG12 VAL 82 2HG1 VAL 82 -0.315 -2.037 4.226 705 HG13 VAL 82 3HG1 VAL 82 -1.791 -2.772 4.854 706 HG21 VAL 82 1HG2 VAL 82 0.204 0.473 4.916 707 HG22 VAL 82 2HG2 VAL 82 -0.029 0.021 6.607 708 HG23 VAL 82 3HG2 VAL 82 -0.984 1.329 5.902 709 H ILE 83 H ILE 83 -2.891 -1.450 1.850 710 HA ILE 83 HA ILE 83 -5.143 -3.008 2.979 711 HB ILE 83 HB ILE 83 -4.323 -2.615 0.061 712 HG12 ILE 83 2HG1 ILE 83 -6.717 -1.757 1.713 713 HG13 ILE 83 3HG1 ILE 83 -5.565 -0.734 0.876 714 HG21 ILE 83 1HG2 ILE 83 -6.221 -4.073 -0.574 715 HG22 ILE 83 2HG2 ILE 83 -6.533 -4.424 1.127 716 HG23 ILE 83 3HG2 ILE 83 -5.032 -4.967 0.379 717 HD11 ILE 83 1HD1 ILE 83 -6.466 -1.476 -1.255 718 HD12 ILE 83 2HD1 ILE 83 -7.694 -0.751 -0.230 719 HD13 ILE 83 3HD1 ILE 83 -7.629 -2.502 -0.415 720 H MET 84 H MET 84 -4.863 -5.060 3.406 721 HA MET 84 HA MET 84 -2.549 -6.568 2.358 722 HB2 MET 84 2HB MET 84 -3.637 -6.391 5.198 723 HB3 MET 84 3HB MET 84 -2.638 -7.728 4.673 724 HG2 MET 84 2HG MET 84 -0.747 -6.330 4.344 725 HG3 MET 84 3HG MET 84 -1.717 -4.862 4.480 726 HE1 MET 84 1HE MET 84 -3.566 -5.407 7.019 727 HE2 MET 84 2HE MET 84 -2.680 -3.909 6.727 728 HE3 MET 84 3HE MET 84 -2.548 -4.723 8.285 729 H VAL 85 H VAL 85 -3.230 -8.298 1.284 730 HA VAL 85 HA VAL 85 -5.911 -9.476 1.772 731 HB VAL 85 HB VAL 85 -4.495 -9.166 -0.932 732 HG11 VAL 85 1HG1 VAL 85 -7.242 -10.325 -0.328 733 HG12 VAL 85 2HG1 VAL 85 -5.818 -11.233 -0.847 734 HG13 VAL 85 3HG1 VAL 85 -6.565 -10.063 -1.938 735 HG21 VAL 85 1HG2 VAL 85 -6.269 -7.581 -1.547 736 HG22 VAL 85 2HG2 VAL 85 -5.395 -7.007 -0.124 737 HG23 VAL 85 3HG2 VAL 85 -6.992 -7.737 0.056 738 H ASP 86 H ASP 86 -5.894 -11.713 1.984 739 HA ASP 86 HA ASP 86 -3.634 -13.336 1.176 740 HB2 ASP 86 2HB ASP 86 -3.111 -12.020 3.462 741 HB3 ASP 86 3HB ASP 86 -4.065 -13.300 4.183 742 H GLN 87 H GLN 87 -3.903 -15.558 1.680 743 HA GLN 87 HA GLN 87 -6.622 -16.563 1.715 744 HB2 GLN 87 2HB GLN 87 -4.022 -18.163 1.851 745 HB3 GLN 87 3HB GLN 87 -5.589 -18.722 1.268 746 HG2 GLN 87 2HG GLN 87 -5.416 -17.310 -0.707 747 HG3 GLN 87 3HG GLN 87 -3.935 -16.567 -0.099 748 HE21 GLN 87 1HE2 GLN 87 -2.667 -17.199 -1.866 749 HE22 GLN 87 2HE2 GLN 87 -2.235 -18.846 -2.167 750 H ASP 88 H ASP 88 -3.780 -16.565 3.766 751 HA ASP 88 HA ASP 88 -5.209 -17.667 6.105 752 HB2 ASP 88 2HB ASP 88 -2.207 -17.316 5.636 753 HB3 ASP 88 3HB ASP 88 -2.952 -18.100 7.022 754 H GLN 89 H GLN 89 -6.233 -15.772 6.860 755 HA GLN 89 HA GLN 89 -4.682 -13.315 7.113 756 HB2 GLN 89 2HB GLN 89 -7.627 -13.776 7.682 757 HB3 GLN 89 3HB GLN 89 -6.799 -12.223 7.767 758 HG2 GLN 89 2HG GLN 89 -6.182 -12.742 5.251 759 HG3 GLN 89 3HG GLN 89 -7.553 -13.848 5.347 760 HE21 GLN 89 1HE2 GLN 89 -9.645 -12.931 5.841 761 HE22 GLN 89 2HE2 GLN 89 -9.971 -11.270 5.508 762 H GLU 90 H GLU 90 -4.795 -15.906 9.103 763 HA GLU 90 HA GLU 90 -5.088 -14.608 11.656 764 HB2 GLU 90 2HB GLU 90 -3.634 -17.184 10.904 765 HB3 GLU 90 3HB GLU 90 -3.867 -16.631 12.560 766 HG2 GLU 90 2HG GLU 90 -6.314 -16.771 12.268 767 HG3 GLU 90 3HG GLU 90 -6.084 -17.318 10.608 768 H GLU 91 H GLU 91 -2.331 -15.404 9.579 769 HA GLU 91 HA GLU 91 -0.282 -14.132 11.093 770 HB2 GLU 91 2HB GLU 91 0.231 -15.851 9.419 771 HB3 GLU 91 3HB GLU 91 -0.497 -14.887 8.143 772 HG2 GLU 91 2HG GLU 91 1.952 -14.852 8.009 773 HG3 GLU 91 3HG GLU 91 1.305 -13.239 8.315 774 H LEU 92 H LEU 92 -2.452 -13.146 8.511 775 HA LEU 92 HA LEU 92 -1.265 -10.641 7.879 776 HB2 LEU 92 2HB LEU 92 -2.915 -12.171 6.526 777 HB3 LEU 92 3HB LEU 92 -4.173 -11.343 7.423 778 HG LEU 92 HG LEU 92 -3.165 -9.147 6.489 779 HD11 LEU 92 1HD1 LEU 92 -1.915 -9.371 4.364 780 HD12 LEU 92 2HD1 LEU 92 -1.782 -11.109 4.633 781 HD13 LEU 92 3HD1 LEU 92 -1.013 -9.979 5.751 782 HD21 LEU 92 1HD2 LEU 92 -4.509 -11.109 4.610 783 HD22 LEU 92 2HD2 LEU 92 -4.410 -9.368 4.375 784 HD23 LEU 92 3HD2 LEU 92 -5.305 -10.016 5.742 785 H GLU 93 H GLU 93 -3.829 -11.639 10.151 786 HA GLU 93 HA GLU 93 -4.673 -8.977 10.863 787 HB2 GLU 93 2HB GLU 93 -6.221 -10.929 11.061 788 HB3 GLU 93 3HB GLU 93 -5.217 -11.584 12.351 789 HG2 GLU 93 2HG GLU 93 -5.716 -9.619 13.756 790 HG3 GLU 93 3HG GLU 93 -6.683 -8.917 12.463 791 H ARG 94 H ARG 94 -2.289 -11.250 11.998 792 HA ARG 94 HA ARG 94 -1.605 -10.125 14.490 793 HB2 ARG 94 2HB ARG 94 -0.858 -12.365 13.618 794 HB3 ARG 94 3HB ARG 94 0.199 -11.542 12.482 795 HG2 ARG 94 2HG ARG 94 1.531 -12.326 14.315 796 HG3 ARG 94 3HG ARG 94 1.448 -10.568 14.420 797 HD2 ARG 94 2HD ARG 94 -0.258 -10.745 16.186 798 HD3 ARG 94 3HD ARG 94 -0.224 -12.509 16.050 799 HE ARG 94 HE ARG 94 2.386 -11.524 16.572 800 HH11 ARG 94 1HH1 ARG 94 -0.682 -12.072 18.219 801 HH12 ARG 94 2HH1 ARG 94 0.056 -12.250 19.780 802 HH21 ARG 94 1HH2 ARG 94 3.330 -11.748 18.645 803 HH22 ARG 94 2HH2 ARG 94 2.320 -12.067 20.023 804 H ILE 95 H ILE 95 -0.481 -9.449 11.180 805 HA ILE 95 HA ILE 95 1.335 -7.323 11.857 806 HB ILE 95 HB ILE 95 0.029 -7.788 9.129 807 HG12 ILE 95 2HG1 ILE 95 0.965 -9.944 9.800 808 HG13 ILE 95 3HG1 ILE 95 1.996 -9.247 8.558 809 HG21 ILE 95 1HG2 ILE 95 2.712 -6.556 9.861 810 HG22 ILE 95 2HG2 ILE 95 1.276 -5.680 9.324 811 HG23 ILE 95 3HG2 ILE 95 2.097 -6.786 8.220 812 HD11 ILE 95 1HD1 ILE 95 3.579 -8.543 10.325 813 HD12 ILE 95 2HD1 ILE 95 3.326 -10.286 10.254 814 HD13 ILE 95 3HD1 ILE 95 2.548 -9.340 11.520 815 H TYR 96 H TYR 96 -1.968 -7.521 10.635 816 HA TYR 96 HA TYR 96 -2.658 -4.891 10.134 817 HB2 TYR 96 2HB TYR 96 -4.061 -6.740 9.451 818 HB3 TYR 96 3HB TYR 96 -4.284 -7.259 11.106 819 HD1 TYR 96 HD1 TYR 96 -5.139 -4.469 8.753 820 HD2 TYR 96 HD2 TYR 96 -6.216 -6.580 12.308 821 HE1 TYR 96 HE1 TYR 96 -7.288 -3.289 8.812 822 HE2 TYR 96 HE2 TYR 96 -8.358 -5.385 12.364 823 HH TYR 96 HH TYR 96 -9.320 -3.266 11.495 824 H GLU 97 H GLU 97 -2.686 -6.650 13.212 825 HA GLU 97 HA GLU 97 -4.050 -4.703 14.753 826 HB2 GLU 97 2HB GLU 97 -3.872 -7.050 15.500 827 HB3 GLU 97 3HB GLU 97 -2.126 -6.878 15.685 828 HG2 GLU 97 2HG GLU 97 -2.478 -5.171 17.444 829 HG3 GLU 97 3HG GLU 97 -4.222 -5.331 17.258 830 H GLN 98 H GLN 98 -0.560 -5.349 14.242 831 HA GLN 98 HA GLN 98 0.225 -3.356 16.169 832 HB2 GLN 98 2HB GLN 98 2.548 -3.888 15.555 833 HB3 GLN 98 3HB GLN 98 1.609 -5.314 15.940 834 HG2 GLN 98 2HG GLN 98 2.931 -5.999 14.162 835 HG3 GLN 98 3HG GLN 98 1.382 -5.655 13.406 836 HE21 GLN 98 1HE2 GLN 98 3.636 -3.108 14.314 837 HE22 GLN 98 2HE2 GLN 98 4.062 -2.673 12.704 838 H LEU 99 H LEU 99 -0.414 -3.304 12.758 839 HA LEU 99 HA LEU 99 0.718 -0.678 12.295 840 HB2 LEU 99 2HB LEU 99 -1.327 -2.283 10.714 841 HB3 LEU 99 3HB LEU 99 -0.591 -0.788 10.158 842 HG LEU 99 HG LEU 99 0.904 -3.394 10.669 843 HD11 LEU 99 1HD1 LEU 99 -0.568 -3.576 8.728 844 HD12 LEU 99 2HD1 LEU 99 1.120 -3.546 8.231 845 HD13 LEU 99 3HD1 LEU 99 0.120 -2.103 8.036 846 HD21 LEU 99 1HD2 LEU 99 1.908 -0.772 9.508 847 HD22 LEU 99 2HD2 LEU 99 2.818 -2.285 9.575 848 HD23 LEU 99 3HD2 LEU 99 2.351 -1.473 11.067 849 H LYS 100 H LYS 100 -2.505 -1.999 13.022 850 HA LYS 100 HA LYS 100 -4.018 0.408 12.878 851 HB2 LYS 100 2HB LYS 100 -4.940 -1.938 12.743 852 HB3 LYS 100 3HB LYS 100 -4.644 -2.133 14.459 853 HG2 LYS 100 2HG LYS 100 -6.390 0.156 13.585 854 HG3 LYS 100 3HG LYS 100 -7.055 -1.473 13.475 855 HD2 LYS 100 2HD LYS 100 -6.546 -1.791 15.914 856 HD3 LYS 100 3HD LYS 100 -5.992 -0.117 15.988 857 HE2 LYS 100 2HE LYS 100 -8.239 0.680 15.419 858 HE3 LYS 100 3HE LYS 100 -8.803 -0.982 15.224 859 HZ1 LYS 100 1HZ LYS 100 -9.421 -0.051 17.375 860 HZ2 LYS 100 2HZ LYS 100 -7.797 0.195 17.763 861 HZ3 LYS 100 3HZ LYS 100 -8.387 -1.374 17.561 862 H LYS 101 H LYS 101 -2.173 -1.149 15.374 863 HA LYS 101 HA LYS 101 -2.867 0.004 17.754 864 HB2 LYS 101 2HB LYS 101 -1.150 -1.744 17.477 865 HB3 LYS 101 3HB LYS 101 -0.085 -0.600 16.671 866 HG2 LYS 101 2HG LYS 101 -0.439 0.684 19.071 867 HG3 LYS 101 3HG LYS 101 -0.626 -0.994 19.583 868 HD2 LYS 101 2HD LYS 101 1.757 0.178 18.099 869 HD3 LYS 101 3HD LYS 101 1.711 -0.244 19.809 870 HE2 LYS 101 2HE LYS 101 1.490 -2.613 19.256 871 HE3 LYS 101 3HE LYS 101 1.373 -2.234 17.534 872 HZ1 LYS 101 1HZ LYS 101 3.588 -2.962 18.094 873 HZ2 LYS 101 2HZ LYS 101 3.744 -1.756 19.266 874 HZ3 LYS 101 3HZ LYS 101 3.629 -1.337 17.634 875 H ASP 102 H ASP 102 -0.965 1.443 15.154 876 HA ASP 102 HA ASP 102 -0.139 3.777 16.642 877 HB2 ASP 102 2HB ASP 102 1.293 2.828 14.885 878 HB3 ASP 102 3HB ASP 102 0.039 3.076 13.676 879 H GLY 103 H GLY 103 -2.822 2.936 14.574 880 HA2 GLY 103 2HA GLY 103 -4.811 4.229 14.341 881 HA3 GLY 103 3HA GLY 103 -3.894 5.701 14.635 882 H VAL 104 H VAL 104 -2.392 3.448 12.522 883 HA VAL 104 HA VAL 104 -2.628 5.051 10.160 884 HB VAL 104 HB VAL 104 -1.780 2.109 10.364 885 HG11 VAL 104 1HG1 VAL 104 -0.508 2.519 8.283 886 HG12 VAL 104 2HG1 VAL 104 -1.144 4.164 8.212 887 HG13 VAL 104 3HG1 VAL 104 -2.238 2.789 8.046 888 HG21 VAL 104 1HG2 VAL 104 -0.020 4.581 10.570 889 HG22 VAL 104 2HG2 VAL 104 0.552 2.910 10.518 890 HG23 VAL 104 3HG2 VAL 104 -0.416 3.471 11.883 891 H ASP 105 H ASP 105 -4.011 4.726 8.333 892 HA ASP 105 HA ASP 105 -6.463 3.264 8.731 893 HB2 ASP 105 2HB ASP 105 -6.447 5.295 7.289 894 HB3 ASP 105 3HB ASP 105 -5.333 4.499 6.183 895 H VAL 106 H VAL 106 -6.335 1.142 8.785 896 HA VAL 106 HA VAL 106 -4.863 -0.367 6.702 897 HB VAL 106 HB VAL 106 -4.369 -2.115 8.456 898 HG11 VAL 106 1HG1 VAL 106 -2.520 -0.887 9.559 899 HG12 VAL 106 2HG1 VAL 106 -3.210 0.644 9.019 900 HG13 VAL 106 3HG1 VAL 106 -2.617 -0.527 7.838 901 HG21 VAL 106 1HG2 VAL 106 -4.555 -1.544 10.849 902 HG22 VAL 106 2HG2 VAL 106 -6.141 -1.520 10.079 903 HG23 VAL 106 3HG2 VAL 106 -5.316 -0.002 10.438 904 H ARG 107 H ARG 107 -5.797 -2.294 6.047 905 HA ARG 107 HA ARG 107 -8.351 -3.216 7.054 906 HB2 ARG 107 2HB ARG 107 -9.493 -2.864 4.806 907 HB3 ARG 107 3HB ARG 107 -9.200 -1.402 5.738 908 HG2 ARG 107 2HG ARG 107 -7.202 -0.921 4.325 909 HG3 ARG 107 3HG ARG 107 -7.563 -2.352 3.358 910 HD2 ARG 107 2HD ARG 107 -8.363 -0.345 2.227 911 HD3 ARG 107 3HD ARG 107 -9.737 -1.346 2.716 912 HE ARG 107 HE ARG 107 -9.044 0.710 4.626 913 HH11 ARG 107 1HH1 ARG 107 -10.922 0.022 1.734 914 HH12 ARG 107 2HH1 ARG 107 -12.049 1.305 2.014 915 HH21 ARG 107 1HH2 ARG 107 -10.549 2.365 4.994 916 HH22 ARG 107 2HH2 ARG 107 -11.840 2.638 3.860 917 H VAL 108 H VAL 108 -8.696 -5.316 6.575 918 HA VAL 108 HA VAL 108 -6.901 -6.715 4.680 919 HB VAL 108 HB VAL 108 -7.059 -8.724 6.229 920 HG11 VAL 108 1HG1 VAL 108 -5.340 -7.963 7.808 921 HG12 VAL 108 2HG1 VAL 108 -5.692 -6.280 7.400 922 HG13 VAL 108 3HG1 VAL 108 -5.031 -7.370 6.178 923 HG21 VAL 108 1HG2 VAL 108 -7.683 -8.393 8.591 924 HG22 VAL 108 2HG2 VAL 108 -9.050 -8.052 7.526 925 HG23 VAL 108 3HG2 VAL 108 -8.142 -6.721 8.249 926 H THR 109 H THR 109 -7.817 -8.391 3.449 927 HA THR 109 HA THR 109 -10.522 -9.330 3.914 928 HB THR 109 HB THR 109 -10.975 -7.217 2.691 929 HG1 THR 109 HG1 THR 109 -12.116 -9.359 2.267 930 HG21 THR 109 1HG2 THR 109 -9.378 -8.400 0.391 931 HG22 THR 109 2HG2 THR 109 -8.895 -7.011 1.369 932 HG23 THR 109 3HG2 THR 109 -10.324 -6.913 0.336 933 H ASP 110 H ASP 110 -10.827 -11.368 3.043 934 HA ASP 110 HA ASP 110 -8.575 -12.545 1.531 935 HB2 ASP 110 2HB ASP 110 -9.446 -14.753 2.285 936 HB3 ASP 110 3HB ASP 110 -9.033 -13.708 3.630 937 H ASN 111 H ASN 111 -9.183 -11.652 -0.436 938 HA ASN 111 HA ASN 111 -10.274 -13.222 -2.337 939 HB2 ASN 111 2HB ASN 111 -12.492 -12.406 -2.939 940 HB3 ASN 111 3HB ASN 111 -12.542 -12.956 -1.277 941 HD21 ASN 111 1HD2 ASN 111 -12.684 -11.387 0.399 942 HD22 ASN 111 2HD2 ASN 111 -13.239 -9.786 0.078 943 H GLU 112 H GLU 112 -11.068 -11.788 -4.363 944 HA GLU 112 HA GLU 112 -8.942 -9.783 -4.734 945 HB2 GLU 112 2HB GLU 112 -9.051 -11.845 -6.183 946 HB3 GLU 112 3HB GLU 112 -10.589 -11.277 -6.813 947 HG2 GLU 112 2HG GLU 112 -9.387 -9.208 -7.624 948 HG3 GLU 112 3HG GLU 112 -7.870 -9.981 -7.161 949 H ASP 113 H ASP 113 -12.465 -10.230 -5.103 950 HA ASP 113 HA ASP 113 -13.026 -7.969 -6.708 951 HB2 ASP 113 2HB ASP 113 -14.800 -9.579 -4.829 952 HB3 ASP 113 3HB ASP 113 -15.423 -8.253 -5.806 953 H GLU 114 H GLU 114 -13.697 -8.397 -3.221 954 HA GLU 114 HA GLU 114 -14.275 -5.795 -2.471 955 HB2 GLU 114 2HB GLU 114 -12.949 -8.038 -0.905 956 HB3 GLU 114 3HB GLU 114 -13.372 -6.501 -0.156 957 HG2 GLU 114 2HG GLU 114 -15.368 -8.311 -1.534 958 HG3 GLU 114 3HG GLU 114 -15.035 -8.350 0.195 959 H ALA 115 H ALA 115 -11.098 -7.378 -2.682 960 HA ALA 115 HA ALA 115 -9.432 -5.476 -1.576 961 HB1 ALA 115 1HB ALA 115 -7.636 -6.443 -2.955 962 HB2 ALA 115 2HB ALA 115 -8.838 -7.230 -3.985 963 HB3 ALA 115 3HB ALA 115 -8.673 -7.709 -2.295 964 H LYS 116 H LYS 116 -10.677 -5.645 -4.906 965 HA LYS 116 HA LYS 116 -9.287 -3.401 -5.973 966 HB2 LYS 116 2HB LYS 116 -11.845 -4.769 -6.917 967 HB3 LYS 116 3HB LYS 116 -10.932 -3.585 -7.858 968 HG2 LYS 116 2HG LYS 116 -8.973 -5.080 -7.840 969 HG3 LYS 116 3HG LYS 116 -9.896 -6.277 -6.923 970 HD2 LYS 116 2HD LYS 116 -11.463 -6.540 -8.804 971 HD3 LYS 116 3HD LYS 116 -10.615 -5.280 -9.713 972 HE2 LYS 116 2HE LYS 116 -8.604 -6.645 -9.795 973 HE3 LYS 116 3HE LYS 116 -9.360 -7.881 -8.789 974 HZ1 LYS 116 1HZ LYS 116 -11.041 -8.104 -10.599 975 HZ2 LYS 116 2HZ LYS 116 -9.486 -8.623 -10.985 976 HZ3 LYS 116 3HZ LYS 116 -10.047 -7.137 -11.567 977 H LYS 117 H LYS 117 -12.471 -3.777 -4.511 978 HA LYS 117 HA LYS 117 -13.586 -1.259 -5.197 979 HB2 LYS 117 2HB LYS 117 -14.224 -3.066 -2.820 980 HB3 LYS 117 3HB LYS 117 -15.270 -1.791 -3.451 981 HG2 LYS 117 2HG LYS 117 -15.609 -3.001 -5.520 982 HG3 LYS 117 3HG LYS 117 -14.401 -4.208 -5.063 983 HD2 LYS 117 2HD LYS 117 -15.891 -4.814 -3.092 984 HD3 LYS 117 3HD LYS 117 -17.122 -3.750 -3.780 985 HE2 LYS 117 2HE LYS 117 -17.233 -5.138 -5.795 986 HE3 LYS 117 3HE LYS 117 -15.921 -6.157 -5.195 987 HZ1 LYS 117 1HZ LYS 117 -17.373 -6.744 -3.297 988 HZ2 LYS 117 2HZ LYS 117 -17.997 -7.239 -4.785 989 HZ3 LYS 117 3HZ LYS 117 -18.636 -5.879 -4.015 990 H ARG 118 H ARG 118 -11.820 -2.439 -2.382 991 HA ARG 118 HA ARG 118 -12.045 0.031 -0.881 992 HB2 ARG 118 2HB ARG 118 -10.315 -2.384 -0.198 993 HB3 ARG 118 3HB ARG 118 -10.953 -1.167 0.906 994 HG2 ARG 118 2HG ARG 118 -12.531 -3.299 -0.557 995 HG3 ARG 118 3HG ARG 118 -12.190 -3.252 1.166 996 HD2 ARG 118 2HD ARG 118 -13.705 -1.434 1.504 997 HD3 ARG 118 3HD ARG 118 -13.805 -1.088 -0.228 998 HE ARG 118 HE ARG 118 -14.783 -3.692 0.744 999 HH11 ARG 118 1HH1 ARG 118 -15.590 -0.486 -0.469 1000 HH12 ARG 118 2HH1 ARG 118 -17.219 -0.919 -0.873 1001 HH21 ARG 118 1HH2 ARG 118 -16.907 -4.258 0.117 1002 HH22 ARG 118 2HH2 ARG 118 -17.964 -3.051 -0.542 1003 H LEU 119 H LEU 119 -9.783 -1.476 -3.057 1004 HA LEU 119 HA LEU 119 -7.450 0.063 -2.497 1005 HB2 LEU 119 2HB LEU 119 -7.773 -2.145 -3.909 1006 HB3 LEU 119 3HB LEU 119 -8.141 -1.075 -5.236 1007 HG LEU 119 HG LEU 119 -5.824 -1.921 -5.318 1008 HD11 LEU 119 1HD1 LEU 119 -5.858 1.045 -4.803 1009 HD12 LEU 119 2HD1 LEU 119 -6.246 0.243 -6.327 1010 HD13 LEU 119 3HD1 LEU 119 -4.614 0.143 -5.674 1011 HD21 LEU 119 1HD2 LEU 119 -4.131 -1.286 -3.688 1012 HD22 LEU 119 2HD2 LEU 119 -5.422 -2.204 -2.919 1013 HD23 LEU 119 3HD2 LEU 119 -5.346 -0.452 -2.714 1014 H LYS 120 H LYS 120 -9.967 0.293 -4.994 1015 HA LYS 120 HA LYS 120 -9.230 2.733 -6.175 1016 HB2 LYS 120 2HB LYS 120 -10.734 0.948 -7.138 1017 HB3 LYS 120 3HB LYS 120 -12.002 1.453 -6.039 1018 HG2 LYS 120 2HG LYS 120 -10.817 3.458 -7.960 1019 HG3 LYS 120 3HG LYS 120 -11.961 2.262 -8.564 1020 HD2 LYS 120 2HD LYS 120 -12.504 4.278 -6.348 1021 HD3 LYS 120 3HD LYS 120 -13.063 4.403 -8.016 1022 HE2 LYS 120 2HE LYS 120 -14.448 2.399 -7.737 1023 HE3 LYS 120 3HE LYS 120 -13.835 2.173 -6.096 1024 HZ1 LYS 120 1HZ LYS 120 -15.398 4.528 -7.024 1025 HZ2 LYS 120 2HZ LYS 120 -14.863 4.249 -5.446 1026 HZ3 LYS 120 3HZ LYS 120 -16.026 3.235 -6.136 1027 H GLU 121 H GLU 121 -11.235 1.956 -3.362 1028 HA GLU 121 HA GLU 121 -12.351 4.458 -2.780 1029 HB2 GLU 121 2HB GLU 121 -12.892 2.273 -1.623 1030 HB3 GLU 121 3HB GLU 121 -11.368 2.411 -0.752 1031 HG2 GLU 121 2HG GLU 121 -12.220 4.638 0.151 1032 HG3 GLU 121 3HG GLU 121 -13.791 4.223 -0.533 1033 H LEU 122 H LEU 122 -9.188 3.063 -1.819 1034 HA LEU 122 HA LEU 122 -8.306 5.177 -0.173 1035 HB2 LEU 122 2HB LEU 122 -6.602 3.253 -1.804 1036 HB3 LEU 122 3HB LEU 122 -5.997 4.306 -0.529 1037 HG LEU 122 HG LEU 122 -7.841 1.914 -0.222 1038 HD11 LEU 122 1HD1 LEU 122 -5.528 1.316 -0.491 1039 HD12 LEU 122 2HD1 LEU 122 -6.003 1.052 1.184 1040 HD13 LEU 122 3HD1 LEU 122 -5.034 2.463 0.755 1041 HD21 LEU 122 1HD2 LEU 122 -8.644 3.632 1.312 1042 HD22 LEU 122 2HD2 LEU 122 -7.012 3.884 1.936 1043 HD23 LEU 122 3HD2 LEU 122 -7.835 2.347 2.207 1044 H LEU 123 H LEU 123 -7.865 4.564 -3.657 1045 HA LEU 123 HA LEU 123 -6.278 6.771 -4.299 1046 HB2 LEU 123 2HB LEU 123 -8.281 5.188 -5.921 1047 HB3 LEU 123 3HB LEU 123 -7.580 6.639 -6.608 1048 HG LEU 123 HG LEU 123 -6.301 4.814 -7.450 1049 HD11 LEU 123 1HD1 LEU 123 -4.042 5.263 -6.629 1050 HD12 LEU 123 2HD1 LEU 123 -4.699 6.098 -5.220 1051 HD13 LEU 123 3HD1 LEU 123 -4.962 6.750 -6.842 1052 HD21 LEU 123 1HD2 LEU 123 -5.192 3.126 -6.072 1053 HD22 LEU 123 2HD2 LEU 123 -6.940 3.086 -5.849 1054 HD23 LEU 123 3HD2 LEU 123 -5.914 3.820 -4.615 1055 H GLU 124 H GLU 124 -9.822 6.517 -4.057 1056 HA GLU 124 HA GLU 124 -10.444 9.159 -4.882 1057 HB2 GLU 124 2HB GLU 124 -12.000 7.217 -3.120 1058 HB3 GLU 124 3HB GLU 124 -12.652 8.736 -3.735 1059 HG2 GLU 124 2HG GLU 124 -12.447 7.958 -6.030 1060 HG3 GLU 124 3HG GLU 124 -11.660 6.472 -5.497 1061 H LYS 125 H LYS 125 -9.748 7.732 -1.700 1062 HA LYS 125 HA LYS 125 -10.394 9.942 -0.056 1063 HB2 LYS 125 2HB LYS 125 -8.472 7.619 0.385 1064 HB3 LYS 125 3HB LYS 125 -8.906 8.773 1.645 1065 HG2 LYS 125 2HG LYS 125 -11.192 8.045 1.655 1066 HG3 LYS 125 3HG LYS 125 -10.965 7.094 0.186 1067 HD2 LYS 125 2HD LYS 125 -11.039 5.633 2.170 1068 HD3 LYS 125 3HD LYS 125 -9.462 5.554 1.383 1069 HE2 LYS 125 2HE LYS 125 -8.539 7.087 3.101 1070 HE3 LYS 125 3HE LYS 125 -10.120 7.153 3.885 1071 HZ1 LYS 125 1HZ LYS 125 -8.759 5.571 5.021 1072 HZ2 LYS 125 2HZ LYS 125 -8.383 4.752 3.595 1073 HZ3 LYS 125 3HZ LYS 125 -9.960 4.718 4.198 1074 H VAL 126 H VAL 126 -7.414 9.075 -1.746 1075 HA VAL 126 HA VAL 126 -5.758 11.130 -0.609 1076 HB VAL 126 HB VAL 126 -5.382 9.516 -3.181 1077 HG11 VAL 126 1HG1 VAL 126 -3.367 11.190 -1.634 1078 HG12 VAL 126 2HG1 VAL 126 -4.025 11.559 -3.231 1079 HG13 VAL 126 3HG1 VAL 126 -2.990 10.149 -3.009 1080 HG21 VAL 126 1HG2 VAL 126 -3.868 8.083 -1.854 1081 HG22 VAL 126 2HG2 VAL 126 -5.494 8.081 -1.169 1082 HG23 VAL 126 3HG2 VAL 126 -4.220 9.034 -0.407 1083 H LEU 127 H LEU 127 -7.575 10.724 -3.641 1084 HA LEU 127 HA LEU 127 -6.885 13.262 -4.780 1085 HB2 LEU 127 2HB LEU 127 -9.158 11.377 -5.521 1086 HB3 LEU 127 3HB LEU 127 -8.567 12.705 -6.510 1087 HG LEU 127 HG LEU 127 -6.937 10.240 -5.775 1088 HD11 LEU 127 1HD1 LEU 127 -8.335 10.857 -8.389 1089 HD12 LEU 127 2HD1 LEU 127 -8.800 9.623 -7.214 1090 HD13 LEU 127 3HD1 LEU 127 -7.268 9.486 -8.070 1091 HD21 LEU 127 1HD2 LEU 127 -5.366 10.985 -7.507 1092 HD22 LEU 127 2HD2 LEU 127 -5.500 12.153 -6.194 1093 HD23 LEU 127 3HD2 LEU 127 -6.306 12.462 -7.737 1094 H GLU 128 H GLU 128 -9.240 12.255 -2.446 1095 HA GLU 128 HA GLU 128 -11.094 14.397 -2.645 1096 HB2 GLU 128 2HB GLU 128 -10.288 12.581 -0.340 1097 HB3 GLU 128 3HB GLU 128 -11.376 13.931 -0.060 1098 HG2 GLU 128 2HG GLU 128 -11.913 11.673 -2.005 1099 HG3 GLU 128 3HG GLU 128 -12.518 11.732 -0.353 1100 H HIS 129 H HIS 129 -8.329 13.863 -0.485 1101 HA HIS 129 HA HIS 129 -7.243 15.158 0.999 1102 HB2 HIS 129 2HB HIS 129 -5.855 16.958 -0.016 1103 HB3 HIS 129 3HB HIS 129 -5.838 15.459 -0.935 1104 HD1 HIS 129 HD1 HIS 129 -7.148 19.007 -1.107 1105 HD2 HIS 129 HD2 HIS 129 -6.689 15.698 -3.586 1106 HE1 HIS 129 HE1 HIS 129 -7.599 19.837 -3.437 1107 HE2 HIS 129 HE2 HIS 129 -7.287 17.824 -4.916 1108 H HIS 130 H HIS 130 -10.124 15.791 0.816 1109 HA HIS 130 HA HIS 130 -10.319 18.561 1.792 1110 HB2 HIS 130 2HB HIS 130 -12.005 17.793 0.129 1111 HB3 HIS 130 3HB HIS 130 -12.465 16.462 1.180 1112 HD1 HIS 130 HD1 HIS 130 -13.601 17.260 3.556 1113 HD2 HIS 130 HD2 HIS 130 -13.490 20.073 0.492 1114 HE1 HIS 130 HE1 HIS 130 -15.286 19.009 4.176 1115 HE2 HIS 130 HE2 HIS 130 -15.191 20.700 2.317 1116 H HIS 131 H HIS 131 -11.444 15.269 2.702 1117 HA HIS 131 HA HIS 131 -11.131 15.741 5.536 1118 HB2 HIS 131 2HB HIS 131 -12.771 14.059 4.687 1119 HB3 HIS 131 3HB HIS 131 -11.446 13.103 4.026 1120 HD1 HIS 131 HD1 HIS 131 -12.240 14.565 7.469 1121 HD2 HIS 131 HD2 HIS 131 -10.901 11.038 5.727 1122 HE1 HIS 131 HE1 HIS 131 -11.828 12.989 9.376 1123 HE2 HIS 131 HE2 HIS 131 -10.837 10.941 8.302 1124 H HIS 132 H HIS 132 -9.179 15.947 6.404 1125 HA HIS 132 HA HIS 132 -6.822 14.563 5.315 1126 HB2 HIS 132 2HB HIS 132 -5.543 16.699 5.252 1127 HB3 HIS 132 3HB HIS 132 -6.885 16.705 4.119 1128 HD1 HIS 132 HD1 HIS 132 -5.596 19.344 4.983 1129 HD2 HIS 132 HD2 HIS 132 -8.936 17.733 6.862 1130 HE1 HIS 132 HE1 HIS 132 -6.752 21.279 6.089 1131 HE2 HIS 132 HE2 HIS 132 -8.804 20.290 7.155 1132 H HIS 133 H HIS 133 -5.105 14.332 6.810 1133 HA HIS 133 HA HIS 133 -5.908 14.705 9.645 1134 HB2 HIS 133 2HB HIS 133 -5.520 12.279 8.407 1135 HB3 HIS 133 3HB HIS 133 -3.883 12.569 8.980 1136 HD1 HIS 133 HD1 HIS 133 -3.514 11.507 11.227 1137 HD2 HIS 133 HD2 HIS 133 -7.452 12.754 10.728 1138 HE1 HIS 133 HE1 HIS 133 -4.718 10.826 13.324 1139 HE2 HIS 133 HE2 HIS 133 -7.123 11.449 12.915 1140 H HIS 134 H HIS 134 -4.296 15.307 11.149 1141 HA HIS 134 HA HIS 134 -1.726 16.301 10.129 1142 HB2 HIS 134 2HB HIS 134 -3.356 18.179 9.878 1143 HB3 HIS 134 3HB HIS 134 -3.737 18.077 11.591 1144 HD1 HIS 134 HD1 HIS 134 -2.833 20.221 12.463 1145 HD2 HIS 134 HD2 HIS 134 -0.093 18.292 10.010 1146 HE1 HIS 134 HE1 HIS 134 -0.751 21.608 12.562 1147 HE2 HIS 134 HE2 HIS 134 0.772 20.575 10.854 Start of MODEL 13 1 H1 MET 1 1H MET 1 -2.313 13.342 -2.514 2 H2 MET 1 2H MET 1 -2.502 14.738 -3.442 3 H3 MET 1 3H MET 1 -2.655 14.810 -1.759 4 HA MET 1 HA MET 1 -0.195 14.148 -3.249 5 HB2 MET 1 2HB MET 1 -0.927 16.651 -1.657 6 HB3 MET 1 3HB MET 1 0.659 16.334 -2.349 7 HG2 MET 1 2HG MET 1 -0.362 16.367 -4.610 8 HG3 MET 1 3HG MET 1 -1.913 16.782 -3.878 9 HE1 MET 1 1HE MET 1 -0.887 18.758 -1.486 10 HE2 MET 1 2HE MET 1 -2.305 19.081 -2.488 11 HE3 MET 1 3HE MET 1 -1.060 20.315 -2.298 12 H GLY 2 H GLY 2 1.624 13.640 -1.985 13 HA2 GLY 2 2HA GLY 2 2.839 12.841 -0.213 14 HA3 GLY 2 3HA GLY 2 1.809 13.816 0.822 15 H THR 3 H THR 3 1.002 11.052 -1.271 16 HA THR 3 HA THR 3 -0.092 9.592 1.072 17 HB THR 3 HB THR 3 -1.179 9.636 -1.789 18 HG1 THR 3 HG1 THR 3 -1.474 11.446 0.132 19 HG21 THR 3 1HG2 THR 3 -2.365 8.464 0.752 20 HG22 THR 3 2HG2 THR 3 -1.709 7.534 -0.598 21 HG23 THR 3 3HG2 THR 3 -3.155 8.518 -0.823 22 H VAL 4 H VAL 4 1.037 7.734 1.421 23 HA VAL 4 HA VAL 4 2.091 6.185 -0.887 24 HB VAL 4 HB VAL 4 3.032 6.028 2.027 25 HG11 VAL 4 1HG1 VAL 4 3.352 3.918 0.796 26 HG12 VAL 4 2HG1 VAL 4 4.906 4.686 1.120 27 HG13 VAL 4 3HG1 VAL 4 4.200 4.777 -0.495 28 HG21 VAL 4 1HG2 VAL 4 4.378 7.404 -0.328 29 HG22 VAL 4 2HG2 VAL 4 5.087 7.183 1.275 30 HG23 VAL 4 3HG2 VAL 4 3.657 8.202 1.075 31 H VAL 5 H VAL 5 0.511 4.755 -1.364 32 HA VAL 5 HA VAL 5 -0.941 3.285 0.700 33 HB VAL 5 HB VAL 5 -1.213 3.057 -2.345 34 HG11 VAL 5 1HG1 VAL 5 -2.083 1.084 -1.135 35 HG12 VAL 5 2HG1 VAL 5 -3.398 2.002 -1.870 36 HG13 VAL 5 3HG1 VAL 5 -3.100 2.129 -0.135 37 HG21 VAL 5 1HG2 VAL 5 -1.726 5.364 -1.617 38 HG22 VAL 5 2HG2 VAL 5 -2.884 4.749 -0.436 39 HG23 VAL 5 3HG2 VAL 5 -3.186 4.533 -2.163 40 H ILE 6 H ILE 6 0.165 1.611 1.557 41 HA ILE 6 HA ILE 6 2.135 0.076 -0.005 42 HB ILE 6 HB ILE 6 1.468 0.015 2.987 43 HG12 ILE 6 2HG1 ILE 6 2.620 2.106 2.292 44 HG13 ILE 6 3HG1 ILE 6 3.657 1.121 3.318 45 HG21 ILE 6 1HG2 ILE 6 3.499 -1.398 3.255 46 HG22 ILE 6 2HG2 ILE 6 3.671 -1.485 1.501 47 HG23 ILE 6 3HG2 ILE 6 2.261 -2.200 2.288 48 HD11 ILE 6 1HD1 ILE 6 3.839 1.361 0.316 49 HD12 ILE 6 2HD1 ILE 6 4.878 0.349 1.326 50 HD13 ILE 6 3HD1 ILE 6 4.907 2.103 1.504 51 H VAL 7 H VAL 7 1.144 -1.439 -1.190 52 HA VAL 7 HA VAL 7 -1.116 -3.010 -0.137 53 HB VAL 7 HB VAL 7 0.044 -2.882 -2.967 54 HG11 VAL 7 1HG1 VAL 7 -2.414 -4.371 -1.968 55 HG12 VAL 7 2HG1 VAL 7 -0.903 -5.108 -2.508 56 HG13 VAL 7 3HG1 VAL 7 -1.911 -4.223 -3.654 57 HG21 VAL 7 1HG2 VAL 7 -1.119 -0.807 -2.330 58 HG22 VAL 7 2HG2 VAL 7 -2.549 -1.731 -1.859 59 HG23 VAL 7 3HG2 VAL 7 -2.040 -1.689 -3.550 60 H VAL 8 H VAL 8 -0.614 -4.801 0.840 61 HA VAL 8 HA VAL 8 1.779 -6.398 0.141 62 HB VAL 8 HB VAL 8 0.203 -6.195 2.761 63 HG11 VAL 8 1HG1 VAL 8 2.585 -7.982 2.151 64 HG12 VAL 8 2HG1 VAL 8 0.928 -8.515 2.438 65 HG13 VAL 8 3HG1 VAL 8 1.848 -7.760 3.739 66 HG21 VAL 8 1HG2 VAL 8 3.064 -5.354 2.161 67 HG22 VAL 8 2HG2 VAL 8 2.255 -5.240 3.726 68 HG23 VAL 8 3HG2 VAL 8 1.689 -4.264 2.369 69 H SER 9 H SER 9 1.158 -8.117 -1.090 70 HA SER 9 HA SER 9 -1.088 -9.765 -0.136 71 HB2 SER 9 2HB SER 9 -2.003 -8.396 -2.023 72 HB3 SER 9 3HB SER 9 -0.744 -9.031 -3.082 73 HG SER 9 HG SER 9 -2.020 -10.656 -3.402 74 H ARG 10 H ARG 10 -0.484 -11.792 0.042 75 HA ARG 10 HA ARG 10 2.157 -12.686 -0.553 76 HB2 ARG 10 2HB ARG 10 0.798 -13.469 1.391 77 HB3 ARG 10 3HB ARG 10 -0.316 -14.259 0.284 78 HG2 ARG 10 2HG ARG 10 1.429 -15.833 -0.405 79 HG3 ARG 10 3HG ARG 10 2.612 -14.999 0.605 80 HD2 ARG 10 2HD ARG 10 1.318 -15.597 2.629 81 HD3 ARG 10 3HD ARG 10 0.122 -16.423 1.623 82 HE ARG 10 HE ARG 10 2.277 -17.778 0.911 83 HH11 ARG 10 1HH1 ARG 10 1.372 -16.764 4.167 84 HH12 ARG 10 2HH1 ARG 10 2.164 -18.105 4.927 85 HH21 ARG 10 1HH2 ARG 10 3.277 -19.537 1.924 86 HH22 ARG 10 2HH2 ARG 10 3.246 -19.684 3.653 87 H ASP 11 H ASP 11 -0.998 -13.098 -2.080 88 HA ASP 11 HA ASP 11 0.029 -14.634 -4.334 89 HB2 ASP 11 2HB ASP 11 -2.305 -14.942 -3.493 90 HB3 ASP 11 3HB ASP 11 -2.677 -13.283 -3.929 91 H GLU 12 H GLU 12 0.988 -13.701 -6.040 92 HA GLU 12 HA GLU 12 1.406 -10.858 -6.168 93 HB2 GLU 12 2HB GLU 12 3.218 -12.445 -6.622 94 HB3 GLU 12 3HB GLU 12 2.340 -13.105 -7.997 95 HG2 GLU 12 2HG GLU 12 2.563 -10.991 -9.203 96 HG3 GLU 12 3HG GLU 12 3.324 -10.235 -7.805 97 H ARG 13 H ARG 13 -0.702 -13.129 -7.863 98 HA ARG 13 HA ARG 13 -1.155 -11.608 -10.217 99 HB2 ARG 13 2HB ARG 13 -2.818 -13.144 -10.788 100 HB3 ARG 13 3HB ARG 13 -1.865 -14.099 -9.657 101 HG2 ARG 13 2HG ARG 13 -3.501 -13.596 -7.862 102 HG3 ARG 13 3HG ARG 13 -4.440 -12.631 -8.996 103 HD2 ARG 13 2HD ARG 13 -4.753 -14.732 -10.379 104 HD3 ARG 13 3HD ARG 13 -4.018 -15.633 -9.040 105 HE ARG 13 HE ARG 13 -6.158 -13.943 -8.162 106 HH11 ARG 13 1HH1 ARG 13 -5.568 -17.054 -9.687 107 HH12 ARG 13 2HH1 ARG 13 -7.071 -17.737 -9.161 108 HH21 ARG 13 1HH2 ARG 13 -8.136 -14.826 -7.493 109 HH22 ARG 13 2HH2 ARG 13 -8.537 -16.462 -7.910 110 H ILE 14 H ILE 14 -2.467 -11.432 -6.985 111 HA ILE 14 HA ILE 14 -4.673 -9.714 -7.469 112 HB ILE 14 HB ILE 14 -3.071 -10.216 -4.912 113 HG12 ILE 14 2HG1 ILE 14 -5.745 -11.356 -5.864 114 HG13 ILE 14 3HG1 ILE 14 -4.219 -12.231 -5.791 115 HG21 ILE 14 1HG2 ILE 14 -4.954 -9.205 -3.667 116 HG22 ILE 14 2HG2 ILE 14 -5.757 -8.803 -5.184 117 HG23 ILE 14 3HG2 ILE 14 -4.228 -8.030 -4.767 118 HD11 ILE 14 1HD1 ILE 14 -5.636 -12.854 -3.951 119 HD12 ILE 14 2HD1 ILE 14 -5.789 -11.175 -3.440 120 HD13 ILE 14 3HD1 ILE 14 -4.225 -11.992 -3.340 121 H LEU 15 H LEU 15 -1.230 -9.158 -6.729 122 HA LEU 15 HA LEU 15 -1.266 -6.403 -6.206 123 HB2 LEU 15 2HB LEU 15 0.922 -8.051 -7.533 124 HB3 LEU 15 3HB LEU 15 1.147 -6.431 -6.895 125 HG LEU 15 HG LEU 15 0.437 -8.876 -5.219 126 HD11 LEU 15 1HD1 LEU 15 2.742 -8.754 -4.399 127 HD12 LEU 15 2HD1 LEU 15 3.091 -7.426 -5.507 128 HD13 LEU 15 3HD1 LEU 15 2.701 -9.028 -6.139 129 HD21 LEU 15 1HD2 LEU 15 0.903 -7.437 -3.273 130 HD22 LEU 15 2HD2 LEU 15 -0.443 -6.813 -4.221 131 HD23 LEU 15 3HD2 LEU 15 1.144 -6.049 -4.338 132 H GLU 16 H GLU 16 -0.946 -8.129 -9.314 133 HA GLU 16 HA GLU 16 -0.675 -5.689 -10.864 134 HB2 GLU 16 2HB GLU 16 -0.519 -7.158 -12.820 135 HB3 GLU 16 3HB GLU 16 0.548 -7.696 -11.529 136 HG2 GLU 16 2HG GLU 16 -1.364 -9.354 -10.907 137 HG3 GLU 16 3HG GLU 16 -2.009 -8.975 -12.505 138 H GLU 17 H GLU 17 -3.330 -7.712 -9.844 139 HA GLU 17 HA GLU 17 -5.314 -6.585 -11.594 140 HB2 GLU 17 2HB GLU 17 -5.383 -8.142 -9.003 141 HB3 GLU 17 3HB GLU 17 -6.860 -7.368 -9.559 142 HG2 GLU 17 2HG GLU 17 -5.255 -9.303 -11.247 143 HG3 GLU 17 3HG GLU 17 -6.588 -9.786 -10.205 144 H LEU 18 H LEU 18 -4.062 -5.765 -8.389 145 HA LEU 18 HA LEU 18 -5.845 -3.575 -7.916 146 HB2 LEU 18 2HB LEU 18 -3.225 -4.329 -6.546 147 HB3 LEU 18 3HB LEU 18 -4.332 -3.087 -5.980 148 HG LEU 18 HG LEU 18 -4.865 -6.081 -6.093 149 HD11 LEU 18 1HD1 LEU 18 -3.505 -5.419 -4.188 150 HD12 LEU 18 2HD1 LEU 18 -5.104 -5.937 -3.664 151 HD13 LEU 18 3HD1 LEU 18 -4.706 -4.216 -3.713 152 HD21 LEU 18 1HD2 LEU 18 -6.808 -3.912 -5.287 153 HD22 LEU 18 2HD2 LEU 18 -7.073 -5.653 -5.174 154 HD23 LEU 18 3HD2 LEU 18 -6.893 -4.894 -6.751 155 H LEU 19 H LEU 19 -2.721 -4.005 -9.421 156 HA LEU 19 HA LEU 19 -1.874 -1.371 -9.787 157 HB2 LEU 19 2HB LEU 19 -0.462 -3.267 -10.382 158 HB3 LEU 19 3HB LEU 19 -1.624 -3.815 -11.576 159 HG LEU 19 HG LEU 19 -1.147 -1.742 -12.932 160 HD11 LEU 19 1HD1 LEU 19 1.043 -1.259 -10.903 161 HD12 LEU 19 2HD1 LEU 19 -0.371 -0.245 -11.205 162 HD13 LEU 19 3HD1 LEU 19 0.864 -0.420 -12.447 163 HD21 LEU 19 1HD2 LEU 19 1.250 -3.518 -12.382 164 HD22 LEU 19 2HD2 LEU 19 1.024 -2.493 -13.803 165 HD23 LEU 19 3HD2 LEU 19 -0.067 -3.845 -13.515 166 H GLU 20 H GLU 20 -3.990 -3.411 -11.824 167 HA GLU 20 HA GLU 20 -4.680 -1.536 -13.764 168 HB2 GLU 20 2HB GLU 20 -6.166 -3.953 -12.676 169 HB3 GLU 20 3HB GLU 20 -6.842 -2.973 -13.971 170 HG2 GLU 20 2HG GLU 20 -4.173 -4.418 -14.091 171 HG3 GLU 20 3HG GLU 20 -5.683 -4.985 -14.809 172 H VAL 21 H VAL 21 -6.151 -2.124 -10.577 173 HA VAL 21 HA VAL 21 -8.398 -0.431 -10.894 174 HB VAL 21 HB VAL 21 -6.991 -1.211 -8.298 175 HG11 VAL 21 1HG1 VAL 21 -9.164 -0.764 -7.194 176 HG12 VAL 21 2HG1 VAL 21 -9.834 -0.193 -8.724 177 HG13 VAL 21 3HG1 VAL 21 -8.517 0.693 -7.953 178 HG21 VAL 21 1HG2 VAL 21 -7.657 -3.188 -9.603 179 HG22 VAL 21 2HG2 VAL 21 -9.310 -2.581 -9.717 180 HG23 VAL 21 3HG2 VAL 21 -8.640 -3.037 -8.148 181 H VAL 22 H VAL 22 -5.080 0.199 -9.681 182 HA VAL 22 HA VAL 22 -5.484 2.882 -8.844 183 HB VAL 22 HB VAL 22 -2.875 1.700 -9.925 184 HG11 VAL 22 1HG1 VAL 22 -3.370 4.159 -8.189 185 HG12 VAL 22 2HG1 VAL 22 -2.811 4.152 -9.863 186 HG13 VAL 22 3HG1 VAL 22 -1.781 3.504 -8.588 187 HG21 VAL 22 1HG2 VAL 22 -3.733 0.378 -8.029 188 HG22 VAL 22 2HG2 VAL 22 -3.832 1.836 -7.045 189 HG23 VAL 22 3HG2 VAL 22 -2.260 1.243 -7.593 190 H LEU 23 H LEU 23 -4.362 1.494 -11.930 191 HA LEU 23 HA LEU 23 -3.741 3.958 -13.203 192 HB2 LEU 23 2HB LEU 23 -4.303 1.236 -14.445 193 HB3 LEU 23 3HB LEU 23 -3.540 2.585 -15.271 194 HG LEU 23 HG LEU 23 -2.361 1.099 -12.886 195 HD11 LEU 23 1HD1 LEU 23 -2.386 -0.318 -14.866 196 HD12 LEU 23 2HD1 LEU 23 -0.740 0.163 -14.473 197 HD13 LEU 23 3HD1 LEU 23 -1.585 0.939 -15.816 198 HD21 LEU 23 1HD2 LEU 23 -0.298 2.358 -13.316 199 HD22 LEU 23 2HD2 LEU 23 -1.631 3.435 -12.906 200 HD23 LEU 23 3HD2 LEU 23 -1.106 3.280 -14.586 201 H LYS 24 H LYS 24 -6.672 1.973 -13.137 202 HA LYS 24 HA LYS 24 -8.110 3.449 -15.161 203 HB2 LYS 24 2HB LYS 24 -9.057 1.450 -13.057 204 HB3 LYS 24 3HB LYS 24 -10.102 2.129 -14.305 205 HG2 LYS 24 2HG LYS 24 -8.814 1.051 -16.066 206 HG3 LYS 24 3HG LYS 24 -7.600 0.506 -14.903 207 HD2 LYS 24 2HD LYS 24 -9.410 -0.861 -13.770 208 HD3 LYS 24 3HD LYS 24 -10.495 -0.426 -15.094 209 HE2 LYS 24 2HE LYS 24 -7.870 -1.932 -15.405 210 HE3 LYS 24 3HE LYS 24 -9.468 -2.674 -15.388 211 HZ1 LYS 24 1HZ LYS 24 -8.528 -0.693 -17.391 212 HZ2 LYS 24 2HZ LYS 24 -10.023 -1.478 -17.396 213 HZ3 LYS 24 3HZ LYS 24 -8.605 -2.363 -17.631 214 H SER 25 H SER 25 -7.787 3.572 -11.649 215 HA SER 25 HA SER 25 -9.899 5.418 -11.098 216 HB2 SER 25 2HB SER 25 -8.981 3.980 -9.329 217 HB3 SER 25 3HB SER 25 -7.387 4.713 -9.506 218 HG SER 25 HG SER 25 -8.020 6.338 -8.317 219 H ASP 26 H ASP 26 -6.413 5.744 -11.627 220 HA ASP 26 HA ASP 26 -6.522 8.323 -12.769 221 HB2 ASP 26 2HB ASP 26 -6.872 9.016 -10.381 222 HB3 ASP 26 3HB ASP 26 -5.366 8.223 -9.938 223 HA PRO 27 HA PRO 27 -2.692 6.130 -13.962 224 HB2 PRO 27 2HB PRO 27 -2.313 7.275 -16.378 225 HB3 PRO 27 3HB PRO 27 -3.688 6.186 -16.094 226 HG2 PRO 27 2HG PRO 27 -3.655 9.187 -16.157 227 HG3 PRO 27 3HG PRO 27 -4.833 8.064 -16.874 228 HD2 PRO 27 2HD PRO 27 -5.193 9.352 -14.435 229 HD3 PRO 27 3HD PRO 27 -6.005 7.840 -14.901 230 H ASN 28 H ASN 28 -2.959 9.225 -12.784 231 HA ASN 28 HA ASN 28 -0.189 10.066 -13.381 232 HB2 ASN 28 2HB ASN 28 -2.296 11.606 -11.797 233 HB3 ASN 28 3HB ASN 28 -0.807 12.239 -12.489 234 HD21 ASN 28 1HD2 ASN 28 -4.084 11.342 -13.095 235 HD22 ASN 28 2HD2 ASN 28 -4.177 11.938 -14.715 236 H VAL 29 H VAL 29 -1.869 8.278 -11.071 237 HA VAL 29 HA VAL 29 -0.176 8.812 -8.793 238 HB VAL 29 HB VAL 29 -1.860 6.317 -9.382 239 HG11 VAL 29 1HG1 VAL 29 -0.142 5.913 -7.653 240 HG12 VAL 29 2HG1 VAL 29 -1.756 5.899 -6.942 241 HG13 VAL 29 3HG1 VAL 29 -0.715 7.311 -6.739 242 HG21 VAL 29 1HG2 VAL 29 -2.632 8.784 -7.777 243 HG22 VAL 29 2HG2 VAL 29 -3.601 7.319 -7.942 244 HG23 VAL 29 3HG2 VAL 29 -3.282 8.328 -9.353 245 H LYS 30 H LYS 30 1.846 7.983 -8.442 246 HA LYS 30 HA LYS 30 3.213 6.430 -10.430 247 HB2 LYS 30 2HB LYS 30 4.437 8.069 -9.056 248 HB3 LYS 30 3HB LYS 30 4.040 7.183 -7.587 249 HG2 LYS 30 2HG LYS 30 6.361 6.772 -8.271 250 HG3 LYS 30 3HG LYS 30 5.415 5.283 -8.344 251 HD2 LYS 30 2HD LYS 30 5.192 5.577 -10.819 252 HD3 LYS 30 3HD LYS 30 6.181 7.039 -10.716 253 HE2 LYS 30 2HE LYS 30 7.079 4.233 -9.978 254 HE3 LYS 30 3HE LYS 30 7.512 5.105 -11.447 255 HZ1 LYS 30 1HZ LYS 30 9.251 5.186 -9.750 256 HZ2 LYS 30 2HZ LYS 30 8.192 5.976 -8.697 257 HZ3 LYS 30 3HZ LYS 30 8.670 6.729 -10.129 258 H THR 31 H THR 31 3.502 4.236 -10.497 259 HA THR 31 HA THR 31 2.584 2.570 -8.210 260 HB THR 31 HB THR 31 1.838 0.887 -9.953 261 HG1 THR 31 HG1 THR 31 2.259 3.095 -11.719 262 HG21 THR 31 1HG2 THR 31 0.404 3.561 -10.080 263 HG22 THR 31 2HG2 THR 31 0.168 2.326 -8.841 264 HG23 THR 31 3HG2 THR 31 -0.284 1.994 -10.515 265 H VAL 32 H VAL 32 3.899 0.944 -7.627 266 HA VAL 32 HA VAL 32 6.207 0.117 -9.271 267 HB VAL 32 HB VAL 32 6.478 1.025 -6.341 268 HG11 VAL 32 1HG1 VAL 32 8.900 0.627 -6.606 269 HG12 VAL 32 2HG1 VAL 32 8.632 0.028 -8.242 270 HG13 VAL 32 3HG1 VAL 32 7.975 -0.856 -6.865 271 HG21 VAL 32 1HG2 VAL 32 7.894 2.879 -7.147 272 HG22 VAL 32 2HG2 VAL 32 6.266 2.988 -7.816 273 HG23 VAL 32 3HG2 VAL 32 7.591 2.397 -8.819 274 H ARG 33 H ARG 33 6.332 -2.110 -9.171 275 HA ARG 33 HA ARG 33 5.174 -3.505 -6.821 276 HB2 ARG 33 2HB ARG 33 3.931 -4.028 -8.892 277 HB3 ARG 33 3HB ARG 33 5.416 -4.549 -9.680 278 HG2 ARG 33 2HG ARG 33 5.619 -6.457 -8.191 279 HG3 ARG 33 3HG ARG 33 4.282 -5.881 -7.191 280 HD2 ARG 33 2HD ARG 33 3.652 -7.759 -8.706 281 HD3 ARG 33 3HD ARG 33 2.693 -6.302 -8.975 282 HE ARG 33 HE ARG 33 4.026 -5.865 -10.961 283 HH11 ARG 33 1HH1 ARG 33 4.295 -9.134 -9.687 284 HH12 ARG 33 2HH1 ARG 33 4.805 -9.802 -11.202 285 HH21 ARG 33 1HH2 ARG 33 4.690 -6.743 -12.908 286 HH22 ARG 33 2HH2 ARG 33 5.030 -8.440 -13.035 287 H THR 34 H THR 34 7.028 -3.417 -5.625 288 HA THR 34 HA THR 34 9.314 -5.080 -6.539 289 HB THR 34 HB THR 34 10.149 -2.825 -6.364 290 HG1 THR 34 HG1 THR 34 11.055 -3.620 -3.871 291 HG21 THR 34 1HG2 THR 34 8.973 -2.652 -3.564 292 HG22 THR 34 2HG2 THR 34 8.368 -1.794 -4.984 293 HG23 THR 34 3HG2 THR 34 9.972 -1.424 -4.345 294 H ASP 35 H ASP 35 9.702 -6.842 -5.317 295 HA ASP 35 HA ASP 35 8.223 -7.329 -2.839 296 HB2 ASP 35 2HB ASP 35 9.116 -9.618 -2.969 297 HB3 ASP 35 3HB ASP 35 8.397 -9.148 -4.505 298 H ASP 36 H ASP 36 11.050 -5.757 -3.574 299 HA ASP 36 HA ASP 36 12.458 -6.410 -1.071 300 HB2 ASP 36 2HB ASP 36 13.924 -6.231 -2.990 301 HB3 ASP 36 3HB ASP 36 13.214 -4.697 -3.479 302 H LYS 37 H LYS 37 12.605 -5.018 0.611 303 HA LYS 37 HA LYS 37 10.638 -2.945 0.933 304 HB2 LYS 37 2HB LYS 37 11.512 -2.779 3.249 305 HB3 LYS 37 3HB LYS 37 11.147 -4.439 2.795 306 HG2 LYS 37 2HG LYS 37 13.524 -4.922 2.478 307 HG3 LYS 37 3HG LYS 37 13.934 -3.234 2.808 308 HD2 LYS 37 2HD LYS 37 13.025 -3.482 5.112 309 HD3 LYS 37 3HD LYS 37 12.672 -5.180 4.785 310 HE2 LYS 37 2HE LYS 37 15.445 -3.935 4.700 311 HE3 LYS 37 3HE LYS 37 14.786 -4.851 6.055 312 HZ1 LYS 37 1HZ LYS 37 16.233 -6.143 4.543 313 HZ2 LYS 37 2HZ LYS 37 15.076 -5.961 3.323 314 HZ3 LYS 37 3HZ LYS 37 14.694 -6.797 4.738 315 H GLU 38 H GLU 38 14.110 -3.015 0.356 316 HA GLU 38 HA GLU 38 14.708 -0.370 1.230 317 HB2 GLU 38 2HB GLU 38 16.255 -2.182 -0.666 318 HB3 GLU 38 3HB GLU 38 16.900 -0.752 0.130 319 HG2 GLU 38 2HG GLU 38 15.918 -3.243 1.559 320 HG3 GLU 38 3HG GLU 38 17.604 -2.886 1.196 321 H LYS 39 H LYS 39 13.853 -1.803 -1.875 322 HA LYS 39 HA LYS 39 14.316 0.447 -3.519 323 HB2 LYS 39 2HB LYS 39 14.089 -1.909 -4.372 324 HB3 LYS 39 3HB LYS 39 12.368 -1.856 -3.999 325 HG2 LYS 39 2HG LYS 39 12.792 -1.467 -6.404 326 HG3 LYS 39 3HG LYS 39 12.030 -0.063 -5.647 327 HD2 LYS 39 2HD LYS 39 14.332 0.979 -5.436 328 HD3 LYS 39 3HD LYS 39 14.979 -0.376 -6.362 329 HE2 LYS 39 2HE LYS 39 13.736 0.280 -8.320 330 HE3 LYS 39 3HE LYS 39 12.815 1.480 -7.402 331 HZ1 LYS 39 1HZ LYS 39 14.962 2.631 -6.975 332 HZ2 LYS 39 2HZ LYS 39 14.504 2.608 -8.599 333 HZ3 LYS 39 3HZ LYS 39 15.714 1.562 -8.051 334 H VAL 40 H VAL 40 11.467 -0.693 -1.719 335 HA VAL 40 HA VAL 40 9.499 1.064 -2.613 336 HB VAL 40 HB VAL 40 9.855 0.156 0.290 337 HG11 VAL 40 1HG1 VAL 40 7.391 0.412 0.446 338 HG12 VAL 40 2HG1 VAL 40 7.355 1.038 -1.201 339 HG13 VAL 40 3HG1 VAL 40 8.190 1.938 0.064 340 HG21 VAL 40 1HG2 VAL 40 8.379 -1.300 -1.934 341 HG22 VAL 40 2HG2 VAL 40 8.410 -1.770 -0.232 342 HG23 VAL 40 3HG2 VAL 40 9.893 -1.804 -1.184 343 H LYS 41 H LYS 41 11.922 1.435 -0.062 344 HA LYS 41 HA LYS 41 11.097 3.850 1.082 345 HB2 LYS 41 2HB LYS 41 13.866 2.586 0.946 346 HB3 LYS 41 3HB LYS 41 13.434 3.922 2.016 347 HG2 LYS 41 2HG LYS 41 11.812 2.549 3.186 348 HG3 LYS 41 3HG LYS 41 12.065 1.214 2.055 349 HD2 LYS 41 2HD LYS 41 14.390 0.969 2.843 350 HD3 LYS 41 3HD LYS 41 14.177 2.338 3.939 351 HE2 LYS 41 2HE LYS 41 12.437 1.086 5.162 352 HE3 LYS 41 3HE LYS 41 12.648 -0.280 4.062 353 HZ1 LYS 41 1HZ LYS 41 13.837 -0.605 6.123 354 HZ2 LYS 41 2HZ LYS 41 14.732 0.812 5.876 355 HZ3 LYS 41 3HZ LYS 41 14.922 -0.506 4.832 356 H GLU 42 H GLU 42 13.392 3.245 -1.559 357 HA GLU 42 HA GLU 42 14.247 5.863 -2.129 358 HB2 GLU 42 2HB GLU 42 13.719 3.547 -4.045 359 HB3 GLU 42 3HB GLU 42 14.635 4.995 -4.461 360 HG2 GLU 42 2HG GLU 42 16.406 4.410 -2.943 361 HG3 GLU 42 3HG GLU 42 15.448 3.105 -2.238 362 H GLU 43 H GLU 43 11.528 3.969 -3.397 363 HA GLU 43 HA GLU 43 10.589 5.903 -5.232 364 HB2 GLU 43 2HB GLU 43 9.152 3.504 -4.023 365 HB3 GLU 43 3HB GLU 43 8.595 4.416 -5.421 366 HG2 GLU 43 2HG GLU 43 11.091 2.723 -5.222 367 HG3 GLU 43 3HG GLU 43 9.652 2.395 -6.184 368 H ILE 44 H ILE 44 9.808 5.336 -1.840 369 HA ILE 44 HA ILE 44 7.461 6.883 -1.610 370 HB ILE 44 HB ILE 44 9.623 6.318 0.490 371 HG12 ILE 44 2HG1 ILE 44 6.931 4.947 0.004 372 HG13 ILE 44 3HG1 ILE 44 8.509 4.270 -0.364 373 HG21 ILE 44 1HG2 ILE 44 7.939 6.928 2.202 374 HG22 ILE 44 2HG2 ILE 44 6.822 7.410 0.927 375 HG23 ILE 44 3HG2 ILE 44 8.326 8.299 1.157 376 HD11 ILE 44 1HD1 ILE 44 7.449 4.890 2.390 377 HD12 ILE 44 2HD1 ILE 44 9.048 4.230 2.027 378 HD13 ILE 44 3HD1 ILE 44 7.603 3.296 1.646 379 H GLU 45 H GLU 45 10.918 7.698 -1.324 380 HA GLU 45 HA GLU 45 10.626 10.459 -0.688 381 HB2 GLU 45 2HB GLU 45 12.988 9.062 -2.013 382 HB3 GLU 45 3HB GLU 45 13.019 10.656 -1.262 383 HG2 GLU 45 2HG GLU 45 12.538 9.647 0.934 384 HG3 GLU 45 3HG GLU 45 12.492 8.046 0.187 385 H LYS 46 H LYS 46 11.105 8.716 -3.750 386 HA LYS 46 HA LYS 46 11.598 10.949 -5.426 387 HB2 LYS 46 2HB LYS 46 10.575 8.150 -6.043 388 HB3 LYS 46 3HB LYS 46 11.047 9.309 -7.283 389 HG2 LYS 46 2HG LYS 46 13.347 9.284 -6.562 390 HG3 LYS 46 3HG LYS 46 12.939 8.374 -5.104 391 HD2 LYS 46 2HD LYS 46 13.988 6.913 -6.792 392 HD3 LYS 46 3HD LYS 46 12.329 6.416 -6.458 393 HE2 LYS 46 2HE LYS 46 11.583 7.518 -8.547 394 HE3 LYS 46 3HE LYS 46 13.245 8.019 -8.875 395 HZ1 LYS 46 1HZ LYS 46 12.665 6.026 -10.099 396 HZ2 LYS 46 2HZ LYS 46 12.293 5.211 -8.664 397 HZ3 LYS 46 3HZ LYS 46 13.886 5.693 -8.974 398 H ALA 47 H ALA 47 8.609 9.236 -4.570 399 HA ALA 47 HA ALA 47 6.867 10.823 -6.226 400 HB1 ALA 47 1HB ALA 47 5.048 9.687 -5.018 401 HB2 ALA 47 2HB ALA 47 6.213 9.018 -3.869 402 HB3 ALA 47 3HB ALA 47 6.266 8.537 -5.566 403 H ARG 48 H ARG 48 8.048 10.950 -2.900 404 HA ARG 48 HA ARG 48 6.334 12.904 -1.815 405 HB2 ARG 48 2HB ARG 48 7.786 11.473 -0.434 406 HB3 ARG 48 3HB ARG 48 9.223 12.215 -1.118 407 HG2 ARG 48 2HG ARG 48 8.619 14.369 -0.057 408 HG3 ARG 48 3HG ARG 48 7.168 13.624 0.622 409 HD2 ARG 48 2HD ARG 48 8.535 12.105 1.973 410 HD3 ARG 48 3HD ARG 48 10.011 12.723 1.213 411 HE ARG 48 HE ARG 48 8.435 14.760 2.486 412 HH11 ARG 48 1HH1 ARG 48 10.912 12.348 3.081 413 HH12 ARG 48 2HH1 ARG 48 11.534 13.160 4.484 414 HH21 ARG 48 1HH2 ARG 48 9.224 15.817 4.304 415 HH22 ARG 48 2HH2 ARG 48 10.565 15.144 5.180 416 H LYS 49 H LYS 49 9.411 13.211 -3.602 417 HA LYS 49 HA LYS 49 9.900 15.958 -3.176 418 HB2 LYS 49 2HB LYS 49 10.678 14.224 -5.567 419 HB3 LYS 49 3HB LYS 49 11.327 15.825 -5.246 420 HG2 LYS 49 2HG LYS 49 11.701 13.377 -3.501 421 HG3 LYS 49 3HG LYS 49 12.901 14.064 -4.591 422 HD2 LYS 49 2HD LYS 49 11.751 15.439 -2.131 423 HD3 LYS 49 3HD LYS 49 13.333 14.671 -2.236 424 HE2 LYS 49 2HE LYS 49 14.041 16.319 -3.925 425 HE3 LYS 49 3HE LYS 49 12.442 17.072 -3.871 426 HZ1 LYS 49 1HZ LYS 49 14.027 18.283 -2.523 427 HZ2 LYS 49 2HZ LYS 49 14.359 16.906 -1.604 428 HZ3 LYS 49 3HZ LYS 49 12.827 17.613 -1.543 429 H GLN 50 H GLN 50 8.153 14.264 -5.726 430 HA GLN 50 HA GLN 50 7.316 16.659 -7.138 431 HB2 GLN 50 2HB GLN 50 6.407 13.754 -7.438 432 HB3 GLN 50 3HB GLN 50 6.095 15.059 -8.582 433 HG2 GLN 50 2HG GLN 50 8.474 15.251 -9.092 434 HG3 GLN 50 3HG GLN 50 8.862 14.058 -7.852 435 HE21 GLN 50 1HE2 GLN 50 8.402 11.864 -8.253 436 HE22 GLN 50 2HE2 GLN 50 8.101 11.280 -9.851 437 H GLY 51 H GLY 51 6.224 14.865 -4.435 438 HA2 GLY 51 2HA GLY 51 4.502 15.268 -2.966 439 HA3 GLY 51 3HA GLY 51 3.870 16.500 -4.046 440 H ARG 52 H ARG 52 4.365 13.753 -5.866 441 HA ARG 52 HA ARG 52 1.534 13.381 -6.224 442 HB2 ARG 52 2HB ARG 52 2.153 11.871 -8.049 443 HB3 ARG 52 3HB ARG 52 3.109 13.343 -8.143 444 HG2 ARG 52 2HG ARG 52 5.035 12.124 -7.124 445 HG3 ARG 52 3HG ARG 52 4.066 10.649 -7.122 446 HD2 ARG 52 2HD ARG 52 4.928 12.225 -9.573 447 HD3 ARG 52 3HD ARG 52 5.591 10.680 -9.031 448 HE ARG 52 HE ARG 52 2.732 10.666 -9.578 449 HH11 ARG 52 1HH1 ARG 52 5.928 10.131 -10.964 450 HH12 ARG 52 2HH1 ARG 52 5.330 9.143 -12.258 451 HH21 ARG 52 1HH2 ARG 52 1.985 9.345 -11.263 452 HH22 ARG 52 2HH2 ARG 52 3.094 8.696 -12.429 453 HA PRO 53 HA PRO 53 1.082 9.796 -3.536 454 HB2 PRO 53 2HB PRO 53 -1.079 8.550 -4.662 455 HB3 PRO 53 3HB PRO 53 -1.228 10.091 -3.790 456 HG2 PRO 53 2HG PRO 53 -1.063 9.627 -6.755 457 HG3 PRO 53 3HG PRO 53 -2.166 10.686 -5.846 458 HD2 PRO 53 2HD PRO 53 0.062 11.639 -7.086 459 HD3 PRO 53 3HD PRO 53 -0.569 12.357 -5.586 460 H ILE 54 H ILE 54 1.286 7.479 -3.554 461 HA ILE 54 HA ILE 54 2.175 6.187 -6.009 462 HB ILE 54 HB ILE 54 4.228 7.231 -5.146 463 HG12 ILE 54 2HG1 ILE 54 4.343 4.217 -4.678 464 HG13 ILE 54 3HG1 ILE 54 4.306 4.970 -6.270 465 HG21 ILE 54 1HG2 ILE 54 5.237 6.620 -2.981 466 HG22 ILE 54 2HG2 ILE 54 3.815 5.653 -2.585 467 HG23 ILE 54 3HG2 ILE 54 3.667 7.402 -2.758 468 HD11 ILE 54 1HD1 ILE 54 6.466 5.311 -4.198 469 HD12 ILE 54 2HD1 ILE 54 6.416 6.098 -5.779 470 HD13 ILE 54 3HD1 ILE 54 6.544 4.344 -5.671 471 H VAL 55 H VAL 55 1.746 4.062 -6.023 472 HA VAL 55 HA VAL 55 0.779 2.749 -3.557 473 HB VAL 55 HB VAL 55 -0.166 2.145 -6.410 474 HG11 VAL 55 1HG1 VAL 55 -1.189 1.150 -3.719 475 HG12 VAL 55 2HG1 VAL 55 -0.263 0.207 -4.891 476 HG13 VAL 55 3HG1 VAL 55 -1.887 0.765 -5.295 477 HG21 VAL 55 1HG2 VAL 55 -0.980 4.372 -5.712 478 HG22 VAL 55 2HG2 VAL 55 -1.650 3.678 -4.234 479 HG23 VAL 55 3HG2 VAL 55 -2.308 3.213 -5.804 480 H ILE 56 H ILE 56 2.167 1.281 -2.950 481 HA ILE 56 HA ILE 56 4.123 0.080 -4.790 482 HB ILE 56 HB ILE 56 4.048 0.060 -1.727 483 HG12 ILE 56 2HG1 ILE 56 4.425 2.371 -2.752 484 HG13 ILE 56 3HG1 ILE 56 5.729 1.802 -1.721 485 HG21 ILE 56 1HG2 ILE 56 6.386 -0.744 -1.881 486 HG22 ILE 56 2HG2 ILE 56 6.265 -0.796 -3.639 487 HG23 ILE 56 3HG2 ILE 56 5.268 -1.866 -2.654 488 HD11 ILE 56 1HD1 ILE 56 6.573 2.923 -3.689 489 HD12 ILE 56 2HD1 ILE 56 5.730 1.786 -4.738 490 HD13 ILE 56 3HD1 ILE 56 7.048 1.227 -3.703 491 H PHE 57 H PHE 57 4.195 -2.158 -5.025 492 HA PHE 57 HA PHE 57 2.060 -3.800 -3.782 493 HB2 PHE 57 2HB PHE 57 3.157 -4.067 -6.622 494 HB3 PHE 57 3HB PHE 57 1.878 -5.033 -5.902 495 HD1 PHE 57 HD1 PHE 57 -0.342 -3.937 -5.349 496 HD2 PHE 57 HD2 PHE 57 2.667 -1.957 -7.671 497 HE1 PHE 57 HE1 PHE 57 -2.017 -2.351 -6.194 498 HE2 PHE 57 HE2 PHE 57 0.977 -0.379 -8.505 499 HZ PHE 57 HZ PHE 57 -1.361 -0.577 -7.766 500 H ILE 58 H ILE 58 3.067 -5.180 -2.430 501 HA ILE 58 HA ILE 58 5.773 -6.202 -3.103 502 HB ILE 58 HB ILE 58 4.766 -5.905 -0.234 503 HG12 ILE 58 2HG1 ILE 58 6.457 -3.818 -1.700 504 HG13 ILE 58 3HG1 ILE 58 4.734 -3.640 -1.392 505 HG21 ILE 58 1HG2 ILE 58 7.577 -6.090 -1.413 506 HG22 ILE 58 2HG2 ILE 58 6.702 -7.408 -0.630 507 HG23 ILE 58 3HG2 ILE 58 7.186 -5.992 0.305 508 HD11 ILE 58 1HD1 ILE 58 6.055 -2.401 0.205 509 HD12 ILE 58 2HD1 ILE 58 6.872 -3.877 0.715 510 HD13 ILE 58 3HD1 ILE 58 5.141 -3.678 1.003 511 H ARG 59 H ARG 59 5.848 -8.315 -3.387 512 HA ARG 59 HA ARG 59 3.597 -10.050 -2.858 513 HB2 ARG 59 2HB ARG 59 4.937 -10.214 -4.956 514 HB3 ARG 59 3HB ARG 59 6.358 -10.664 -4.017 515 HG2 ARG 59 2HG ARG 59 5.053 -12.706 -3.213 516 HG3 ARG 59 3HG ARG 59 3.804 -12.274 -4.387 517 HD2 ARG 59 2HD ARG 59 5.280 -13.977 -5.333 518 HD3 ARG 59 3HD ARG 59 5.488 -12.457 -6.212 519 HE ARG 59 HE ARG 59 7.352 -13.349 -4.076 520 HH11 ARG 59 1HH1 ARG 59 6.864 -12.038 -7.307 521 HH12 ARG 59 2HH1 ARG 59 8.564 -11.824 -7.602 522 HH21 ARG 59 1HH2 ARG 59 9.560 -13.072 -4.481 523 HH22 ARG 59 2HH2 ARG 59 10.082 -12.409 -6.002 524 H GLY 60 H GLY 60 3.318 -10.900 -0.890 525 HA2 GLY 60 2HA GLY 60 3.677 -12.144 1.000 526 HA3 GLY 60 3HA GLY 60 5.167 -12.699 0.260 527 H ALA 61 H ALA 61 4.408 -9.329 1.055 528 HA ALA 61 HA ALA 61 6.759 -8.948 2.627 529 HB1 ALA 61 1HB ALA 61 4.277 -7.207 2.429 530 HB2 ALA 61 2HB ALA 61 5.712 -7.083 1.422 531 HB3 ALA 61 3HB ALA 61 5.815 -6.723 3.142 532 H THR 62 H THR 62 6.909 -10.155 4.409 533 HA THR 62 HA THR 62 4.697 -10.785 6.150 534 HB THR 62 HB THR 62 6.491 -12.416 5.815 535 HG1 THR 62 HG1 THR 62 5.870 -12.958 7.735 536 HG21 THR 62 1HG2 THR 62 8.331 -10.420 7.174 537 HG22 THR 62 2HG2 THR 62 8.423 -10.936 5.490 538 HG23 THR 62 3HG2 THR 62 8.746 -12.091 6.785 539 H GLU 63 H GLU 63 5.227 -10.434 8.660 540 HA GLU 63 HA GLU 63 4.381 -7.854 9.151 541 HB2 GLU 63 2HB GLU 63 4.109 -9.951 10.577 542 HB3 GLU 63 3HB GLU 63 5.718 -9.662 11.206 543 HG2 GLU 63 2HG GLU 63 3.474 -7.641 11.473 544 HG3 GLU 63 3HG GLU 63 3.725 -8.927 12.646 545 H GLU 64 H GLU 64 7.672 -9.170 9.572 546 HA GLU 64 HA GLU 64 8.874 -6.928 10.761 547 HB2 GLU 64 2HB GLU 64 11.033 -7.948 10.182 548 HB3 GLU 64 3HB GLU 64 9.912 -9.164 10.787 549 HG2 GLU 64 2HG GLU 64 9.461 -9.902 8.465 550 HG3 GLU 64 3HG GLU 64 10.598 -8.701 7.863 551 H VAL 65 H VAL 65 8.342 -7.696 7.362 552 HA VAL 65 HA VAL 65 10.065 -5.690 6.261 553 HB VAL 65 HB VAL 65 7.731 -7.166 4.934 554 HG11 VAL 65 1HG1 VAL 65 8.373 -5.154 3.671 555 HG12 VAL 65 2HG1 VAL 65 8.821 -6.612 2.787 556 HG13 VAL 65 3HG1 VAL 65 10.057 -5.687 3.642 557 HG21 VAL 65 1HG2 VAL 65 9.395 -8.760 5.797 558 HG22 VAL 65 2HG2 VAL 65 10.683 -7.906 4.947 559 HG23 VAL 65 3HG2 VAL 65 9.419 -8.732 4.032 560 H VAL 66 H VAL 66 6.543 -5.981 6.781 561 HA VAL 66 HA VAL 66 5.827 -3.607 5.411 562 HB VAL 66 HB VAL 66 4.164 -4.997 7.556 563 HG11 VAL 66 1HG1 VAL 66 2.222 -4.085 6.308 564 HG12 VAL 66 2HG1 VAL 66 3.316 -3.276 5.184 565 HG13 VAL 66 3HG1 VAL 66 3.281 -2.794 6.882 566 HG21 VAL 66 1HG2 VAL 66 4.284 -5.652 4.589 567 HG22 VAL 66 2HG2 VAL 66 3.185 -6.377 5.766 568 HG23 VAL 66 3HG2 VAL 66 4.923 -6.652 5.894 569 H ARG 67 H ARG 67 6.105 -4.328 8.916 570 HA ARG 67 HA ARG 67 5.364 -1.853 9.976 571 HB2 ARG 67 2HB ARG 67 6.508 -2.534 12.035 572 HB3 ARG 67 3HB ARG 67 5.682 -3.921 11.335 573 HG2 ARG 67 2HG ARG 67 7.819 -4.753 10.429 574 HG3 ARG 67 3HG ARG 67 8.659 -3.357 11.100 575 HD2 ARG 67 2HD ARG 67 7.175 -5.437 12.733 576 HD3 ARG 67 3HD ARG 67 8.916 -5.438 12.455 577 HE ARG 67 HE ARG 67 8.961 -3.243 13.619 578 HH11 ARG 67 1HH1 ARG 67 6.348 -5.485 14.277 579 HH12 ARG 67 2HH1 ARG 67 6.043 -4.855 15.869 580 HH21 ARG 67 1HH2 ARG 67 8.563 -2.407 15.695 581 HH22 ARG 67 2HH2 ARG 67 7.306 -3.105 16.667 582 H ASP 68 H ASP 68 8.407 -2.892 8.637 583 HA ASP 68 HA ASP 68 10.110 -0.816 9.611 584 HB2 ASP 68 2HB ASP 68 11.041 -2.988 9.134 585 HB3 ASP 68 3HB ASP 68 10.368 -3.008 7.512 586 H ILE 69 H ILE 69 8.430 -1.456 6.555 587 HA ILE 69 HA ILE 69 9.417 0.818 5.112 588 HB ILE 69 HB ILE 69 6.995 -0.976 4.649 589 HG12 ILE 69 2HG1 ILE 69 9.727 -1.001 3.279 590 HG13 ILE 69 3HG1 ILE 69 9.245 -2.102 4.567 591 HG21 ILE 69 1HG2 ILE 69 6.962 -0.108 2.321 592 HG22 ILE 69 2HG2 ILE 69 8.205 1.066 2.752 593 HG23 ILE 69 3HG2 ILE 69 6.614 1.153 3.507 594 HD11 ILE 69 1HD1 ILE 69 8.033 -1.913 1.819 595 HD12 ILE 69 2HD1 ILE 69 7.436 -2.943 3.123 596 HD13 ILE 69 3HD1 ILE 69 9.049 -3.202 2.464 597 H VAL 70 H VAL 70 6.470 0.145 6.958 598 HA VAL 70 HA VAL 70 5.006 2.446 6.181 599 HB VAL 70 HB VAL 70 4.641 0.532 8.532 600 HG11 VAL 70 1HG1 VAL 70 2.721 2.703 7.598 601 HG12 VAL 70 2HG1 VAL 70 3.587 2.670 9.135 602 HG13 VAL 70 3HG1 VAL 70 2.354 1.456 8.795 603 HG21 VAL 70 1HG2 VAL 70 3.146 0.763 5.887 604 HG22 VAL 70 2HG2 VAL 70 2.810 -0.410 7.164 605 HG23 VAL 70 3HG2 VAL 70 4.342 -0.472 6.291 606 H GLU 71 H GLU 71 7.050 1.726 9.051 607 HA GLU 71 HA GLU 71 6.598 4.192 10.375 608 HB2 GLU 71 2HB GLU 71 8.520 3.660 11.789 609 HB3 GLU 71 3HB GLU 71 7.504 2.249 11.561 610 HG2 GLU 71 2HG GLU 71 9.521 1.209 11.301 611 HG3 GLU 71 3HG GLU 71 9.302 1.723 9.635 612 H TYR 72 H TYR 72 8.846 3.232 7.849 613 HA TYR 72 HA TYR 72 10.501 5.524 7.818 614 HB2 TYR 72 2HB TYR 72 11.088 3.380 6.687 615 HB3 TYR 72 3HB TYR 72 9.790 3.629 5.528 616 HD1 TYR 72 HD1 TYR 72 13.175 4.716 6.555 617 HD2 TYR 72 HD2 TYR 72 10.044 5.284 3.690 618 HE1 TYR 72 HE1 TYR 72 14.723 5.939 5.093 619 HE2 TYR 72 HE2 TYR 72 11.595 6.507 2.232 620 HH TYR 72 HH TYR 72 13.696 7.735 2.395 621 H ALA 73 H ALA 73 7.545 4.697 5.998 622 HA ALA 73 HA ALA 73 7.393 7.086 4.472 623 HB1 ALA 73 1HB ALA 73 6.255 4.998 3.830 624 HB2 ALA 73 2HB ALA 73 5.121 6.347 3.915 625 HB3 ALA 73 3HB ALA 73 5.175 5.153 5.215 626 H GLN 74 H GLN 74 6.410 6.301 7.741 627 HA GLN 74 HA GLN 74 4.875 8.719 8.193 628 HB2 GLN 74 2HB GLN 74 6.051 6.696 10.145 629 HB3 GLN 74 3HB GLN 74 4.985 8.026 10.601 630 HG2 GLN 74 2HG GLN 74 3.173 7.073 9.251 631 HG3 GLN 74 3HG GLN 74 4.228 5.771 8.713 632 HE21 GLN 74 1HE2 GLN 74 2.338 7.011 11.358 633 HE22 GLN 74 2HE2 GLN 74 2.414 5.590 12.335 634 H LYS 75 H LYS 75 8.249 7.712 8.565 635 HA LYS 75 HA LYS 75 9.236 10.025 9.923 636 HB2 LYS 75 2HB LYS 75 10.632 8.060 8.053 637 HB3 LYS 75 3HB LYS 75 11.478 9.329 8.934 638 HG2 LYS 75 2HG LYS 75 10.924 8.312 11.068 639 HG3 LYS 75 3HG LYS 75 9.872 7.134 10.282 640 HD2 LYS 75 2HD LYS 75 12.006 6.096 10.903 641 HD3 LYS 75 3HD LYS 75 11.825 6.130 9.147 642 HE2 LYS 75 2HE LYS 75 14.121 6.713 9.850 643 HE3 LYS 75 3HE LYS 75 13.347 8.061 9.016 644 HZ1 LYS 75 1HZ LYS 75 12.862 9.051 11.182 645 HZ2 LYS 75 2HZ LYS 75 14.523 8.807 10.979 646 HZ3 LYS 75 3HZ LYS 75 13.628 7.760 11.958 647 H GLU 76 H GLU 76 8.452 9.312 6.578 648 HA GLU 76 HA GLU 76 9.553 11.693 5.415 649 HB2 GLU 76 2HB GLU 76 7.337 9.890 4.348 650 HB3 GLU 76 3HB GLU 76 8.266 11.053 3.414 651 HG2 GLU 76 2HG GLU 76 9.299 8.499 4.663 652 HG3 GLU 76 3HG GLU 76 9.015 8.796 2.954 653 H GLY 77 H GLY 77 6.776 11.068 7.310 654 HA2 GLY 77 2HA GLY 77 5.069 12.408 8.057 655 HA3 GLY 77 3HA GLY 77 5.765 13.747 7.154 656 H LEU 78 H LEU 78 4.970 10.706 5.627 657 HA LEU 78 HA LEU 78 2.853 12.015 4.030 658 HB2 LEU 78 2HB LEU 78 4.380 9.446 3.418 659 HB3 LEU 78 3HB LEU 78 3.270 10.285 2.342 660 HG LEU 78 HG LEU 78 6.003 11.265 3.243 661 HD11 LEU 78 1HD1 LEU 78 6.655 11.033 0.916 662 HD12 LEU 78 2HD1 LEU 78 5.050 10.437 0.491 663 HD13 LEU 78 3HD1 LEU 78 6.094 9.493 1.559 664 HD21 LEU 78 1HD2 LEU 78 4.500 13.180 3.072 665 HD22 LEU 78 2HD2 LEU 78 4.023 12.691 1.447 666 HD23 LEU 78 3HD2 LEU 78 5.682 13.200 1.764 667 H ARG 79 H ARG 79 0.852 11.084 3.822 668 HA ARG 79 HA ARG 79 -0.174 9.553 5.984 669 HB2 ARG 79 2HB ARG 79 -1.475 11.294 4.783 670 HB3 ARG 79 3HB ARG 79 -1.420 10.332 3.310 671 HG2 ARG 79 2HG ARG 79 -2.755 8.563 4.434 672 HG3 ARG 79 3HG ARG 79 -2.840 9.565 5.884 673 HD2 ARG 79 2HD ARG 79 -4.897 9.725 4.541 674 HD3 ARG 79 3HD ARG 79 -4.077 11.285 4.644 675 HE ARG 79 HE ARG 79 -3.110 10.397 2.327 676 HH11 ARG 79 1HH1 ARG 79 -6.450 10.388 3.473 677 HH12 ARG 79 2HH1 ARG 79 -7.119 10.512 1.876 678 HH21 ARG 79 1HH2 ARG 79 -4.004 10.601 0.252 679 HH22 ARG 79 2HH2 ARG 79 -5.732 10.631 0.052 680 H VAL 80 H VAL 80 0.079 7.386 6.188 681 HA VAL 80 HA VAL 80 0.705 5.733 3.828 682 HB VAL 80 HB VAL 80 0.976 4.847 6.736 683 HG11 VAL 80 1HG1 VAL 80 2.623 3.244 5.807 684 HG12 VAL 80 2HG1 VAL 80 2.322 3.869 4.183 685 HG13 VAL 80 3HG1 VAL 80 1.034 3.045 5.064 686 HG21 VAL 80 1HG2 VAL 80 2.285 6.908 6.504 687 HG22 VAL 80 2HG2 VAL 80 3.102 6.256 5.084 688 HG23 VAL 80 3HG2 VAL 80 3.352 5.511 6.664 689 H LEU 81 H LEU 81 -0.881 4.587 2.988 690 HA LEU 81 HA LEU 81 -3.166 3.596 4.608 691 HB2 LEU 81 2HB LEU 81 -2.948 4.190 1.609 692 HB3 LEU 81 3HB LEU 81 -4.319 3.426 2.366 693 HG LEU 81 HG LEU 81 -4.946 5.684 1.949 694 HD11 LEU 81 1HD1 LEU 81 -4.295 5.484 4.892 695 HD12 LEU 81 2HD1 LEU 81 -5.716 4.816 4.084 696 HD13 LEU 81 3HD1 LEU 81 -5.483 6.560 4.146 697 HD21 LEU 81 1HD2 LEU 81 -2.470 6.636 3.410 698 HD22 LEU 81 2HD2 LEU 81 -3.721 7.648 2.678 699 HD23 LEU 81 3HD2 LEU 81 -2.698 6.637 1.660 700 H VAL 82 H VAL 82 -2.825 1.401 5.077 701 HA VAL 82 HA VAL 82 -1.280 -0.183 3.081 702 HB VAL 82 HB VAL 82 -1.591 -0.830 6.046 703 HG11 VAL 82 1HG1 VAL 82 -1.193 -2.834 4.681 704 HG12 VAL 82 2HG1 VAL 82 0.228 -2.471 5.662 705 HG13 VAL 82 3HG1 VAL 82 0.222 -2.075 3.942 706 HG21 VAL 82 1HG2 VAL 82 -0.296 1.245 5.780 707 HG22 VAL 82 2HG2 VAL 82 0.782 0.448 4.633 708 HG23 VAL 82 3HG2 VAL 82 0.751 -0.071 6.320 709 H ILE 83 H ILE 83 -2.447 -1.552 1.925 710 HA ILE 83 HA ILE 83 -4.869 -2.850 3.066 711 HB ILE 83 HB ILE 83 -4.113 -2.586 0.106 712 HG12 ILE 83 2HG1 ILE 83 -6.224 -1.051 1.685 713 HG13 ILE 83 3HG1 ILE 83 -4.720 -0.383 1.070 714 HG21 ILE 83 1HG2 ILE 83 -5.461 -4.606 0.600 715 HG22 ILE 83 2HG2 ILE 83 -6.394 -3.444 -0.342 716 HG23 ILE 83 3HG2 ILE 83 -6.686 -3.607 1.390 717 HD11 ILE 83 1HD1 ILE 83 -6.982 -1.445 -0.615 718 HD12 ILE 83 2HD1 ILE 83 -5.468 -0.757 -1.214 719 HD13 ILE 83 3HD1 ILE 83 -6.596 0.246 -0.309 720 H MET 84 H MET 84 -4.462 -4.873 3.693 721 HA MET 84 HA MET 84 -2.339 -6.479 2.391 722 HB2 MET 84 2HB MET 84 -3.484 -6.482 5.212 723 HB3 MET 84 3HB MET 84 -2.495 -7.804 4.604 724 HG2 MET 84 2HG MET 84 -0.564 -6.459 4.471 725 HG3 MET 84 3HG MET 84 -1.485 -4.960 4.532 726 HE1 MET 84 1HE MET 84 -2.272 -4.445 8.234 727 HE2 MET 84 2HE MET 84 -3.351 -4.939 6.930 728 HE3 MET 84 3HE MET 84 -2.122 -3.704 6.641 729 H VAL 85 H VAL 85 -3.109 -7.989 1.063 730 HA VAL 85 HA VAL 85 -5.876 -9.012 1.335 731 HB VAL 85 HB VAL 85 -4.343 -8.686 -1.293 732 HG11 VAL 85 1HG1 VAL 85 -7.282 -9.289 -0.756 733 HG12 VAL 85 2HG1 VAL 85 -6.069 -10.448 -1.305 734 HG13 VAL 85 3HG1 VAL 85 -6.539 -9.106 -2.347 735 HG21 VAL 85 1HG2 VAL 85 -6.478 -6.814 -0.211 736 HG22 VAL 85 2HG2 VAL 85 -5.712 -6.715 -1.798 737 HG23 VAL 85 3HG2 VAL 85 -4.757 -6.447 -0.338 738 H ASP 86 H ASP 86 -5.967 -11.169 1.594 739 HA ASP 86 HA ASP 86 -5.042 -12.963 -0.282 740 HB2 ASP 86 2HB ASP 86 -2.802 -12.518 1.121 741 HB3 ASP 86 3HB ASP 86 -3.530 -13.601 2.301 742 H GLN 87 H GLN 87 -5.476 -15.318 0.484 743 HA GLN 87 HA GLN 87 -7.851 -15.515 2.138 744 HB2 GLN 87 2HB GLN 87 -6.220 -17.908 1.225 745 HB3 GLN 87 3HB GLN 87 -7.960 -17.788 1.455 746 HG2 GLN 87 2HG GLN 87 -6.327 -16.636 -0.821 747 HG3 GLN 87 3HG GLN 87 -7.468 -17.971 -0.913 748 HE21 GLN 87 1HE2 GLN 87 -7.351 -15.437 -2.409 749 HE22 GLN 87 2HE2 GLN 87 -8.886 -14.678 -2.182 750 H ASP 88 H ASP 88 -4.465 -15.589 2.617 751 HA ASP 88 HA ASP 88 -4.530 -16.737 5.307 752 HB2 ASP 88 2HB ASP 88 -2.267 -15.502 3.641 753 HB3 ASP 88 3HB ASP 88 -2.053 -16.161 5.259 754 H GLN 89 H GLN 89 -6.260 -14.665 5.073 755 HA GLN 89 HA GLN 89 -5.401 -12.039 5.447 756 HB2 GLN 89 2HB GLN 89 -7.657 -12.764 4.698 757 HB3 GLN 89 3HB GLN 89 -8.017 -13.366 6.304 758 HG2 GLN 89 2HG GLN 89 -7.327 -10.444 5.971 759 HG3 GLN 89 3HG GLN 89 -8.911 -11.003 5.452 760 HE21 GLN 89 1HE2 GLN 89 -6.907 -10.293 8.213 761 HE22 GLN 89 2HE2 GLN 89 -8.146 -10.483 9.401 762 H GLU 90 H GLU 90 -5.788 -14.658 7.781 763 HA GLU 90 HA GLU 90 -5.766 -13.072 10.151 764 HB2 GLU 90 2HB GLU 90 -5.093 -16.022 9.750 765 HB3 GLU 90 3HB GLU 90 -5.238 -15.240 11.324 766 HG2 GLU 90 2HG GLU 90 -7.606 -14.632 10.745 767 HG3 GLU 90 3HG GLU 90 -7.438 -15.572 9.263 768 H GLU 91 H GLU 91 -3.198 -14.707 8.311 769 HA GLU 91 HA GLU 91 -0.947 -14.114 9.902 770 HB2 GLU 91 2HB GLU 91 -0.795 -15.657 8.036 771 HB3 GLU 91 3HB GLU 91 -1.293 -14.422 6.887 772 HG2 GLU 91 2HG GLU 91 0.841 -13.234 7.209 773 HG3 GLU 91 3HG GLU 91 1.339 -14.421 8.415 774 H LEU 92 H LEU 92 -2.679 -12.271 7.476 775 HA LEU 92 HA LEU 92 -0.996 -9.943 7.468 776 HB2 LEU 92 2HB LEU 92 -3.862 -10.272 6.517 777 HB3 LEU 92 3HB LEU 92 -2.759 -8.982 6.063 778 HG LEU 92 HG LEU 92 -2.316 -11.910 5.358 779 HD11 LEU 92 1HD1 LEU 92 -3.469 -9.701 3.635 780 HD12 LEU 92 2HD1 LEU 92 -4.346 -11.088 4.283 781 HD13 LEU 92 3HD1 LEU 92 -3.065 -11.334 3.101 782 HD21 LEU 92 1HD2 LEU 92 -0.237 -10.609 5.440 783 HD22 LEU 92 2HD2 LEU 92 -0.923 -9.402 4.347 784 HD23 LEU 92 3HD2 LEU 92 -0.638 -11.050 3.781 785 H GLU 93 H GLU 93 -3.772 -11.024 9.322 786 HA GLU 93 HA GLU 93 -4.690 -8.509 10.294 787 HB2 GLU 93 2HB GLU 93 -6.087 -10.591 10.306 788 HB3 GLU 93 3HB GLU 93 -5.045 -11.271 11.553 789 HG2 GLU 93 2HG GLU 93 -5.686 -9.247 13.001 790 HG3 GLU 93 3HG GLU 93 -6.916 -8.888 11.793 791 H ARG 94 H ARG 94 -2.180 -10.738 11.311 792 HA ARG 94 HA ARG 94 -1.711 -9.555 13.884 793 HB2 ARG 94 2HB ARG 94 -1.020 -11.910 13.189 794 HB3 ARG 94 3HB ARG 94 0.268 -11.181 12.234 795 HG2 ARG 94 2HG ARG 94 1.138 -11.950 14.391 796 HG3 ARG 94 3HG ARG 94 1.233 -10.190 14.294 797 HD2 ARG 94 2HD ARG 94 -0.862 -10.023 15.641 798 HD3 ARG 94 3HD ARG 94 -0.899 -11.784 15.778 799 HE ARG 94 HE ARG 94 1.535 -11.186 16.764 800 HH11 ARG 94 1HH1 ARG 94 -1.653 -9.876 17.519 801 HH12 ARG 94 2HH1 ARG 94 -1.245 -9.510 19.163 802 HH21 ARG 94 1HH2 ARG 94 2.052 -10.702 18.919 803 HH22 ARG 94 2HH2 ARG 94 0.863 -9.981 19.960 804 H ILE 95 H ILE 95 -0.317 -9.134 10.631 805 HA ILE 95 HA ILE 95 1.588 -7.122 11.185 806 HB ILE 95 HB ILE 95 -0.072 -7.318 8.616 807 HG12 ILE 95 2HG1 ILE 95 2.471 -8.885 9.289 808 HG13 ILE 95 3HG1 ILE 95 0.858 -9.568 9.144 809 HG21 ILE 95 1HG2 ILE 95 1.913 -6.329 7.538 810 HG22 ILE 95 2HG2 ILE 95 2.744 -6.270 9.092 811 HG23 ILE 95 3HG2 ILE 95 1.304 -5.284 8.825 812 HD11 ILE 95 1HD1 ILE 95 2.453 -8.311 6.908 813 HD12 ILE 95 2HD1 ILE 95 0.822 -8.978 6.766 814 HD13 ILE 95 3HD1 ILE 95 2.174 -10.033 7.174 815 H TYR 96 H TYR 96 -1.828 -7.022 10.332 816 HA TYR 96 HA TYR 96 -2.417 -4.328 10.181 817 HB2 TYR 96 2HB TYR 96 -4.023 -5.987 9.485 818 HB3 TYR 96 3HB TYR 96 -4.059 -6.724 11.072 819 HD1 TYR 96 HD1 TYR 96 -5.212 -3.816 9.082 820 HD2 TYR 96 HD2 TYR 96 -5.545 -5.876 12.815 821 HE1 TYR 96 HE1 TYR 96 -7.193 -2.495 9.651 822 HE2 TYR 96 HE2 TYR 96 -7.529 -4.541 13.383 823 HH TYR 96 HH TYR 96 -8.523 -2.352 12.740 824 H GLU 97 H GLU 97 -2.379 -6.487 13.018 825 HA GLU 97 HA GLU 97 -3.491 -4.755 14.907 826 HB2 GLU 97 2HB GLU 97 -3.168 -7.225 15.221 827 HB3 GLU 97 3HB GLU 97 -1.435 -6.957 15.398 828 HG2 GLU 97 2HG GLU 97 -2.408 -7.232 17.600 829 HG3 GLU 97 3HG GLU 97 -1.892 -5.556 17.424 830 H GLN 98 H GLN 98 -0.133 -5.268 13.925 831 HA GLN 98 HA GLN 98 1.168 -3.665 15.850 832 HB2 GLN 98 2HB GLN 98 2.401 -5.302 14.504 833 HB3 GLN 98 3HB GLN 98 1.991 -4.450 13.019 834 HG2 GLN 98 2HG GLN 98 4.322 -4.017 13.670 835 HG3 GLN 98 3HG GLN 98 3.371 -2.531 13.709 836 HE21 GLN 98 1HE2 GLN 98 4.852 -1.543 15.118 837 HE22 GLN 98 2HE2 GLN 98 4.966 -1.985 16.784 838 H LEU 99 H LEU 99 0.222 -2.968 12.483 839 HA LEU 99 HA LEU 99 1.151 -0.278 12.442 840 HB2 LEU 99 2HB LEU 99 -0.947 -1.545 10.651 841 HB3 LEU 99 3HB LEU 99 0.035 -0.137 10.278 842 HG LEU 99 HG LEU 99 1.086 -2.978 10.595 843 HD11 LEU 99 1HD1 LEU 99 -0.287 -2.739 8.582 844 HD12 LEU 99 2HD1 LEU 99 1.408 -2.989 8.181 845 HD13 LEU 99 3HD1 LEU 99 0.702 -1.376 8.049 846 HD21 LEU 99 1HD2 LEU 99 3.215 -2.109 9.712 847 HD22 LEU 99 2HD2 LEU 99 2.789 -1.368 11.251 848 HD23 LEU 99 3HD2 LEU 99 2.566 -0.468 9.747 849 H LYS 100 H LYS 100 -1.933 -1.743 13.232 850 HA LYS 100 HA LYS 100 -3.602 0.564 13.257 851 HB2 LYS 100 2HB LYS 100 -4.350 -1.886 13.155 852 HB3 LYS 100 3HB LYS 100 -3.942 -2.041 14.851 853 HG2 LYS 100 2HG LYS 100 -5.992 -0.029 13.882 854 HG3 LYS 100 3HG LYS 100 -6.424 -1.705 14.210 855 HD2 LYS 100 2HD LYS 100 -5.685 -1.433 16.565 856 HD3 LYS 100 3HD LYS 100 -5.243 0.244 16.230 857 HE2 LYS 100 2HE LYS 100 -8.028 -0.959 16.180 858 HE3 LYS 100 3HE LYS 100 -7.392 0.221 17.328 859 HZ1 LYS 100 1HZ LYS 100 -7.134 1.770 15.428 860 HZ2 LYS 100 2HZ LYS 100 -8.740 1.351 15.745 861 HZ3 LYS 100 3HZ LYS 100 -7.923 0.649 14.440 862 H LYS 101 H LYS 101 -1.657 -1.140 15.673 863 HA LYS 101 HA LYS 101 -2.264 0.369 17.959 864 HB2 LYS 101 2HB LYS 101 -1.109 -1.837 17.968 865 HB3 LYS 101 3HB LYS 101 0.331 -1.084 17.288 866 HG2 LYS 101 2HG LYS 101 0.528 0.323 19.342 867 HG3 LYS 101 3HG LYS 101 -0.873 -0.506 20.025 868 HD2 LYS 101 2HD LYS 101 1.771 -1.805 19.258 869 HD3 LYS 101 3HD LYS 101 1.243 -1.443 20.901 870 HE2 LYS 101 2HE LYS 101 -0.638 -3.035 20.634 871 HE3 LYS 101 3HE LYS 101 -0.099 -3.390 18.992 872 HZ1 LYS 101 1HZ LYS 101 1.453 -3.889 21.468 873 HZ2 LYS 101 2HZ LYS 101 1.980 -4.218 19.900 874 HZ3 LYS 101 3HZ LYS 101 0.662 -5.062 20.544 875 H ASP 102 H ASP 102 0.250 0.835 15.460 876 HA ASP 102 HA ASP 102 1.448 3.178 16.583 877 HB2 ASP 102 2HB ASP 102 1.378 2.099 13.733 878 HB3 ASP 102 3HB ASP 102 2.270 3.555 14.164 879 H GLY 103 H GLY 103 -1.551 2.702 14.986 880 HA2 GLY 103 2HA GLY 103 -3.298 4.210 14.742 881 HA3 GLY 103 3HA GLY 103 -2.209 5.538 15.110 882 H VAL 104 H VAL 104 -1.356 3.186 12.715 883 HA VAL 104 HA VAL 104 -1.472 5.096 10.524 884 HB VAL 104 HB VAL 104 -0.814 2.108 10.360 885 HG11 VAL 104 1HG1 VAL 104 0.462 2.718 8.340 886 HG12 VAL 104 2HG1 VAL 104 -0.007 4.406 8.535 887 HG13 VAL 104 3HG1 VAL 104 -1.233 3.185 8.184 888 HG21 VAL 104 1HG2 VAL 104 0.649 3.119 12.059 889 HG22 VAL 104 2HG2 VAL 104 1.151 4.363 10.911 890 HG23 VAL 104 3HG2 VAL 104 1.569 2.673 10.620 891 H ASP 105 H ASP 105 -2.980 4.967 8.777 892 HA ASP 105 HA ASP 105 -5.501 3.690 9.406 893 HB2 ASP 105 2HB ASP 105 -5.181 5.997 8.253 894 HB3 ASP 105 3HB ASP 105 -4.804 5.081 6.801 895 H VAL 106 H VAL 106 -5.536 1.546 9.144 896 HA VAL 106 HA VAL 106 -4.408 0.275 6.719 897 HB VAL 106 HB VAL 106 -3.403 -1.541 8.089 898 HG11 VAL 106 1HG1 VAL 106 -1.433 -0.336 8.829 899 HG12 VAL 106 2HG1 VAL 106 -2.325 1.182 8.902 900 HG13 VAL 106 3HG1 VAL 106 -2.036 0.400 7.348 901 HG21 VAL 106 1HG2 VAL 106 -4.802 -1.385 10.119 902 HG22 VAL 106 2HG2 VAL 106 -4.077 0.169 10.526 903 HG23 VAL 106 3HG2 VAL 106 -3.088 -1.295 10.538 904 H ARG 107 H ARG 107 -5.175 -1.796 6.252 905 HA ARG 107 HA ARG 107 -7.443 -2.919 7.649 906 HB2 ARG 107 2HB ARG 107 -8.911 -2.963 5.623 907 HB3 ARG 107 3HB ARG 107 -8.671 -1.353 6.277 908 HG2 ARG 107 2HG ARG 107 -7.051 -2.347 3.919 909 HG3 ARG 107 3HG ARG 107 -8.648 -1.625 3.721 910 HD2 ARG 107 2HD ARG 107 -6.180 -0.316 4.890 911 HD3 ARG 107 3HD ARG 107 -7.005 0.089 3.382 912 HE ARG 107 HE ARG 107 -8.885 0.321 5.404 913 HH11 ARG 107 1HH1 ARG 107 -5.901 1.980 4.559 914 HH12 ARG 107 2HH1 ARG 107 -6.392 3.466 5.308 915 HH21 ARG 107 1HH2 ARG 107 -9.485 2.230 6.396 916 HH22 ARG 107 2HH2 ARG 107 -8.423 3.601 6.349 917 H VAL 108 H VAL 108 -8.004 -4.964 6.941 918 HA VAL 108 HA VAL 108 -6.180 -6.369 5.081 919 HB VAL 108 HB VAL 108 -6.638 -8.451 6.560 920 HG11 VAL 108 1HG1 VAL 108 -4.828 -7.935 8.144 921 HG12 VAL 108 2HG1 VAL 108 -4.969 -6.215 7.767 922 HG13 VAL 108 3HG1 VAL 108 -4.447 -7.355 6.523 923 HG21 VAL 108 1HG2 VAL 108 -7.218 -8.061 8.933 924 HG22 VAL 108 2HG2 VAL 108 -8.522 -7.513 7.879 925 HG23 VAL 108 3HG2 VAL 108 -7.433 -6.335 8.614 926 H THR 109 H THR 109 -7.197 -7.888 3.734 927 HA THR 109 HA THR 109 -10.029 -8.452 4.084 928 HB THR 109 HB THR 109 -9.840 -6.370 2.591 929 HG1 THR 109 HG1 THR 109 -10.988 -8.597 1.240 930 HG21 THR 109 1HG2 THR 109 -7.850 -7.023 1.253 931 HG22 THR 109 2HG2 THR 109 -9.245 -6.687 0.225 932 HG23 THR 109 3HG2 THR 109 -8.775 -8.361 0.549 933 H ASP 110 H ASP 110 -10.768 -10.166 2.896 934 HA ASP 110 HA ASP 110 -8.823 -11.936 1.552 935 HB2 ASP 110 2HB ASP 110 -10.568 -13.739 1.974 936 HB3 ASP 110 3HB ASP 110 -9.821 -13.091 3.428 937 H ASN 111 H ASN 111 -9.309 -12.623 -0.462 938 HA ASN 111 HA ASN 111 -10.400 -13.105 -2.407 939 HB2 ASN 111 2HB ASN 111 -12.678 -11.295 -1.462 940 HB3 ASN 111 3HB ASN 111 -12.631 -12.046 -3.051 941 HD21 ASN 111 1HD2 ASN 111 -13.082 -12.616 0.358 942 HD22 ASN 111 2HD2 ASN 111 -13.678 -14.230 0.207 943 H GLU 112 H GLU 112 -10.014 -12.304 -4.357 944 HA GLU 112 HA GLU 112 -8.390 -9.982 -4.609 945 HB2 GLU 112 2HB GLU 112 -8.015 -12.025 -5.918 946 HB3 GLU 112 3HB GLU 112 -9.588 -11.852 -6.686 947 HG2 GLU 112 2HG GLU 112 -8.766 -9.680 -7.706 948 HG3 GLU 112 3HG GLU 112 -7.163 -10.052 -7.062 949 H ASP 113 H ASP 113 -11.714 -10.783 -5.650 950 HA ASP 113 HA ASP 113 -12.231 -8.443 -7.176 951 HB2 ASP 113 2HB ASP 113 -14.603 -9.074 -7.067 952 HB3 ASP 113 3HB ASP 113 -13.625 -10.509 -7.342 953 H GLU 114 H GLU 114 -12.722 -9.295 -3.795 954 HA GLU 114 HA GLU 114 -14.039 -6.970 -2.900 955 HB2 GLU 114 2HB GLU 114 -14.070 -9.136 -1.701 956 HB3 GLU 114 3HB GLU 114 -12.343 -9.008 -1.394 957 HG2 GLU 114 2HG GLU 114 -13.641 -8.455 0.606 958 HG3 GLU 114 3HG GLU 114 -12.711 -7.067 0.049 959 H ALA 115 H ALA 115 -10.647 -7.954 -3.035 960 HA ALA 115 HA ALA 115 -9.394 -5.845 -1.703 961 HB1 ALA 115 1HB ALA 115 -8.386 -7.447 -4.074 962 HB2 ALA 115 2HB ALA 115 -8.274 -7.916 -2.380 963 HB3 ALA 115 3HB ALA 115 -7.391 -6.504 -2.950 964 H LYS 116 H LYS 116 -10.373 -6.210 -5.077 965 HA LYS 116 HA LYS 116 -9.161 -3.856 -6.109 966 HB2 LYS 116 2HB LYS 116 -11.401 -5.628 -7.166 967 HB3 LYS 116 3HB LYS 116 -10.672 -4.316 -8.094 968 HG2 LYS 116 2HG LYS 116 -8.500 -5.418 -8.085 969 HG3 LYS 116 3HG LYS 116 -9.093 -6.664 -6.983 970 HD2 LYS 116 2HD LYS 116 -8.989 -7.564 -9.246 971 HD3 LYS 116 3HD LYS 116 -10.673 -7.445 -8.736 972 HE2 LYS 116 2HE LYS 116 -10.860 -5.300 -10.026 973 HE3 LYS 116 3HE LYS 116 -9.202 -5.543 -10.593 974 HZ1 LYS 116 1HZ LYS 116 -10.891 -6.307 -12.179 975 HZ2 LYS 116 2HZ LYS 116 -11.424 -7.459 -11.051 976 HZ3 LYS 116 3HZ LYS 116 -9.863 -7.548 -11.680 977 H LYS 117 H LYS 117 -12.197 -4.443 -4.477 978 HA LYS 117 HA LYS 117 -13.422 -1.930 -5.177 979 HB2 LYS 117 2HB LYS 117 -14.068 -3.691 -2.770 980 HB3 LYS 117 3HB LYS 117 -15.110 -2.476 -3.499 981 HG2 LYS 117 2HG LYS 117 -14.315 -5.158 -4.643 982 HG3 LYS 117 3HG LYS 117 -15.923 -4.649 -4.134 983 HD2 LYS 117 2HD LYS 117 -16.030 -3.054 -6.026 984 HD3 LYS 117 3HD LYS 117 -14.385 -3.488 -6.500 985 HE2 LYS 117 2HE LYS 117 -15.166 -5.840 -6.887 986 HE3 LYS 117 3HE LYS 117 -16.817 -5.312 -6.543 987 HZ1 LYS 117 1HZ LYS 117 -16.672 -3.782 -8.417 988 HZ2 LYS 117 2HZ LYS 117 -16.375 -5.371 -8.918 989 HZ3 LYS 117 3HZ LYS 117 -15.091 -4.287 -8.735 990 H ARG 118 H ARG 118 -11.652 -3.222 -2.341 991 HA ARG 118 HA ARG 118 -11.813 -0.852 -0.750 992 HB2 ARG 118 2HB ARG 118 -9.769 -3.096 -0.444 993 HB3 ARG 118 3HB ARG 118 -10.293 -1.967 0.799 994 HG2 ARG 118 2HG ARG 118 -11.898 -4.208 -0.444 995 HG3 ARG 118 3HG ARG 118 -11.311 -4.110 1.212 996 HD2 ARG 118 2HD ARG 118 -13.334 -2.177 0.033 997 HD3 ARG 118 3HD ARG 118 -13.777 -3.646 0.902 998 HE ARG 118 HE ARG 118 -12.204 -2.469 2.703 999 HH11 ARG 118 1HH1 ARG 118 -14.815 -1.082 0.794 1000 HH12 ARG 118 2HH1 ARG 118 -15.235 0.082 2.008 1001 HH21 ARG 118 1HH2 ARG 118 -12.830 -0.998 4.305 1002 HH22 ARG 118 2HH2 ARG 118 -14.114 0.127 3.993 1003 H LEU 119 H LEU 119 -9.562 -1.992 -3.135 1004 HA LEU 119 HA LEU 119 -7.368 -0.281 -2.652 1005 HB2 LEU 119 2HB LEU 119 -7.541 -2.415 -4.165 1006 HB3 LEU 119 3HB LEU 119 -8.193 -1.354 -5.392 1007 HG LEU 119 HG LEU 119 -5.787 -1.862 -5.736 1008 HD11 LEU 119 1HD1 LEU 119 -6.203 1.068 -5.143 1009 HD12 LEU 119 2HD1 LEU 119 -6.621 0.237 -6.641 1010 HD13 LEU 119 3HD1 LEU 119 -4.936 0.367 -6.153 1011 HD21 LEU 119 1HD2 LEU 119 -5.272 -0.379 -3.141 1012 HD22 LEU 119 2HD2 LEU 119 -4.051 -1.015 -4.248 1013 HD23 LEU 119 3HD2 LEU 119 -5.117 -2.119 -3.387 1014 H LYS 120 H LYS 120 -10.205 -0.100 -4.770 1015 HA LYS 120 HA LYS 120 -9.693 2.439 -5.884 1016 HB2 LYS 120 2HB LYS 120 -11.264 0.747 -6.851 1017 HB3 LYS 120 3HB LYS 120 -12.370 1.044 -5.513 1018 HG2 LYS 120 2HG LYS 120 -12.556 3.441 -6.246 1019 HG3 LYS 120 3HG LYS 120 -11.525 3.060 -7.630 1020 HD2 LYS 120 2HD LYS 120 -13.907 3.083 -8.267 1021 HD3 LYS 120 3HD LYS 120 -13.214 1.471 -8.473 1022 HE2 LYS 120 2HE LYS 120 -15.475 1.384 -7.466 1023 HE3 LYS 120 3HE LYS 120 -14.262 0.735 -6.365 1024 HZ1 LYS 120 1HZ LYS 120 -14.284 2.857 -5.174 1025 HZ2 LYS 120 2HZ LYS 120 -15.818 2.157 -5.213 1026 HZ3 LYS 120 3HZ LYS 120 -15.461 3.451 -6.233 1027 H GLU 121 H GLU 121 -11.435 1.387 -2.950 1028 HA GLU 121 HA GLU 121 -12.783 3.740 -2.310 1029 HB2 GLU 121 2HB GLU 121 -11.624 1.660 -0.407 1030 HB3 GLU 121 3HB GLU 121 -12.739 2.929 0.082 1031 HG2 GLU 121 2HG GLU 121 -13.296 0.607 -1.771 1032 HG3 GLU 121 3HG GLU 121 -13.977 0.890 -0.173 1033 H LEU 122 H LEU 122 -9.465 2.763 -1.444 1034 HA LEU 122 HA LEU 122 -8.919 5.192 0.019 1035 HB2 LEU 122 2HB LEU 122 -7.009 3.041 -0.963 1036 HB3 LEU 122 3HB LEU 122 -6.573 4.368 0.107 1037 HG LEU 122 HG LEU 122 -8.409 2.023 0.732 1038 HD11 LEU 122 1HD1 LEU 122 -6.002 1.606 0.907 1039 HD12 LEU 122 2HD1 LEU 122 -6.784 1.560 2.479 1040 HD13 LEU 122 3HD1 LEU 122 -5.846 2.964 2.014 1041 HD21 LEU 122 1HD2 LEU 122 -9.453 4.009 1.702 1042 HD22 LEU 122 2HD2 LEU 122 -7.926 4.491 2.445 1043 HD23 LEU 122 3HD2 LEU 122 -8.744 3.018 2.975 1044 H LEU 123 H LEU 123 -8.314 4.010 -3.260 1045 HA LEU 123 HA LEU 123 -6.625 6.058 -4.172 1046 HB2 LEU 123 2HB LEU 123 -8.087 3.823 -5.354 1047 HB3 LEU 123 3HB LEU 123 -8.276 5.223 -6.390 1048 HG LEU 123 HG LEU 123 -6.372 3.819 -7.094 1049 HD11 LEU 123 1HD1 LEU 123 -4.652 5.568 -7.284 1050 HD12 LEU 123 2HD1 LEU 123 -5.459 6.522 -6.037 1051 HD13 LEU 123 3HD1 LEU 123 -6.263 6.220 -7.580 1052 HD21 LEU 123 1HD2 LEU 123 -4.357 3.563 -5.729 1053 HD22 LEU 123 2HD2 LEU 123 -5.755 2.894 -4.890 1054 HD23 LEU 123 3HD2 LEU 123 -5.106 4.462 -4.403 1055 H GLU 124 H GLU 124 -10.098 5.914 -3.802 1056 HA GLU 124 HA GLU 124 -10.747 8.390 -5.082 1057 HB2 GLU 124 2HB GLU 124 -12.232 6.697 -3.024 1058 HB3 GLU 124 3HB GLU 124 -12.921 8.131 -3.787 1059 HG2 GLU 124 2HG GLU 124 -12.831 7.087 -5.983 1060 HG3 GLU 124 3HG GLU 124 -11.947 5.708 -5.337 1061 H LYS 125 H LYS 125 -10.057 7.389 -1.725 1062 HA LYS 125 HA LYS 125 -10.389 9.941 -0.505 1063 HB2 LYS 125 2HB LYS 125 -8.805 7.497 0.401 1064 HB3 LYS 125 3HB LYS 125 -9.118 8.905 1.416 1065 HG2 LYS 125 2HG LYS 125 -11.510 8.495 1.362 1066 HG3 LYS 125 3HG LYS 125 -11.302 7.186 0.196 1067 HD2 LYS 125 2HD LYS 125 -10.050 5.877 1.880 1068 HD3 LYS 125 3HD LYS 125 -10.238 7.185 3.052 1069 HE2 LYS 125 2HE LYS 125 -12.556 5.667 1.797 1070 HE3 LYS 125 3HE LYS 125 -11.855 5.300 3.374 1071 HZ1 LYS 125 1HZ LYS 125 -13.767 6.655 3.683 1072 HZ2 LYS 125 2HZ LYS 125 -13.220 7.810 2.579 1073 HZ3 LYS 125 3HZ LYS 125 -12.413 7.598 4.049 1074 H VAL 126 H VAL 126 -7.765 8.594 -2.347 1075 HA VAL 126 HA VAL 126 -5.777 10.557 -1.662 1076 HB VAL 126 HB VAL 126 -6.097 8.974 -4.267 1077 HG11 VAL 126 1HG1 VAL 126 -3.672 10.464 -3.193 1078 HG12 VAL 126 2HG1 VAL 126 -4.659 10.940 -4.577 1079 HG13 VAL 126 3HG1 VAL 126 -3.700 9.461 -4.646 1080 HG21 VAL 126 1HG2 VAL 126 -4.431 8.310 -1.811 1081 HG22 VAL 126 2HG2 VAL 126 -4.381 7.428 -3.340 1082 HG23 VAL 126 3HG2 VAL 126 -5.858 7.445 -2.378 1083 H LEU 127 H LEU 127 -8.253 10.215 -4.181 1084 HA LEU 127 HA LEU 127 -7.728 12.775 -5.442 1085 HB2 LEU 127 2HB LEU 127 -9.974 10.768 -5.915 1086 HB3 LEU 127 3HB LEU 127 -9.572 12.122 -6.961 1087 HG LEU 127 HG LEU 127 -7.750 9.738 -6.427 1088 HD11 LEU 127 1HD1 LEU 127 -9.411 10.339 -8.892 1089 HD12 LEU 127 2HD1 LEU 127 -9.691 9.046 -7.722 1090 HD13 LEU 127 3HD1 LEU 127 -8.240 9.027 -8.719 1091 HD21 LEU 127 1HD2 LEU 127 -6.374 10.618 -8.284 1092 HD22 LEU 127 2HD2 LEU 127 -6.436 11.719 -6.911 1093 HD23 LEU 127 3HD2 LEU 127 -7.397 12.058 -8.353 1094 H GLU 128 H GLU 128 -9.404 11.943 -2.658 1095 HA GLU 128 HA GLU 128 -11.222 14.260 -2.765 1096 HB2 GLU 128 2HB GLU 128 -10.695 12.191 -0.575 1097 HB3 GLU 128 3HB GLU 128 -11.819 13.539 -0.417 1098 HG2 GLU 128 2HG GLU 128 -13.144 12.632 -2.326 1099 HG3 GLU 128 3HG GLU 128 -12.048 11.253 -2.393 1100 H HIS 129 H HIS 129 -8.544 13.033 -0.722 1101 HA HIS 129 HA HIS 129 -8.382 15.226 1.011 1102 HB2 HIS 129 2HB HIS 129 -7.464 13.004 1.573 1103 HB3 HIS 129 3HB HIS 129 -6.238 13.165 0.322 1104 HD1 HIS 129 HD1 HIS 129 -4.142 14.487 0.887 1105 HD2 HIS 129 HD2 HIS 129 -7.016 14.668 3.878 1106 HE1 HIS 129 HE1 HIS 129 -3.015 15.585 2.835 1107 HE2 HIS 129 HE2 HIS 129 -4.798 15.783 4.586 1108 H HIS 130 H HIS 130 -8.115 17.230 0.223 1109 HA HIS 130 HA HIS 130 -7.491 19.010 -1.016 1110 HB2 HIS 130 2HB HIS 130 -4.781 17.956 -0.122 1111 HB3 HIS 130 3HB HIS 130 -4.993 19.533 -0.877 1112 HD1 HIS 130 HD1 HIS 130 -6.160 21.369 0.498 1113 HD2 HIS 130 HD2 HIS 130 -5.704 17.796 2.563 1114 HE1 HIS 130 HE1 HIS 130 -6.705 21.902 2.883 1115 HE2 HIS 130 HE2 HIS 130 -6.263 19.767 4.133 1116 H HIS 131 H HIS 131 -8.411 17.676 -2.798 1117 HA HIS 131 HA HIS 131 -6.665 16.527 -4.772 1118 HB2 HIS 131 2HB HIS 131 -8.652 16.120 -6.080 1119 HB3 HIS 131 3HB HIS 131 -9.041 15.789 -4.398 1120 HD1 HIS 131 HD1 HIS 131 -10.038 17.860 -7.289 1121 HD2 HIS 131 HD2 HIS 131 -10.801 17.771 -3.203 1122 HE1 HIS 131 HE1 HIS 131 -12.074 19.281 -6.954 1123 HE2 HIS 131 HE2 HIS 131 -12.406 19.349 -4.464 1124 H HIS 132 H HIS 132 -6.663 17.239 -7.059 1125 HA HIS 132 HA HIS 132 -5.844 19.946 -7.360 1126 HB2 HIS 132 2HB HIS 132 -6.408 17.734 -9.381 1127 HB3 HIS 132 3HB HIS 132 -5.883 19.338 -9.874 1128 HD1 HIS 132 HD1 HIS 132 -3.432 19.781 -9.883 1129 HD2 HIS 132 HD2 HIS 132 -4.379 16.318 -7.786 1130 HE1 HIS 132 HE1 HIS 132 -1.237 18.669 -9.391 1131 HE2 HIS 132 HE2 HIS 132 -1.851 16.501 -8.279 1132 H HIS 133 H HIS 133 -7.356 21.522 -7.084 1133 HA HIS 133 HA HIS 133 -9.890 21.521 -8.556 1134 HB2 HIS 133 2HB HIS 133 -9.715 22.576 -6.282 1135 HB3 HIS 133 3HB HIS 133 -8.554 23.735 -6.912 1136 HD1 HIS 133 HD1 HIS 133 -10.191 25.621 -6.131 1137 HD2 HIS 133 HD2 HIS 133 -11.739 23.150 -9.086 1138 HE1 HIS 133 HE1 HIS 133 -12.266 26.771 -6.952 1139 HE2 HIS 133 HE2 HIS 133 -13.241 25.191 -8.643 1140 H HIS 134 H HIS 134 -6.604 22.605 -8.826 1141 HA HIS 134 HA HIS 134 -6.926 22.891 -11.683 1142 HB2 HIS 134 2HB HIS 134 -5.791 25.082 -11.851 1143 HB3 HIS 134 3HB HIS 134 -7.276 25.234 -10.920 1144 HD1 HIS 134 HD1 HIS 134 -3.521 25.207 -10.472 1145 HD2 HIS 134 HD2 HIS 134 -6.938 26.191 -8.330 1146 HE1 HIS 134 HE1 HIS 134 -2.716 26.393 -8.414 1147 HE2 HIS 134 HE2 HIS 134 -4.803 27.159 -7.261 Start of MODEL 14 1 H1 MET 1 1H MET 1 0.227 17.748 -0.346 2 H2 MET 1 2H MET 1 1.123 16.740 -1.358 3 H3 MET 1 3H MET 1 1.343 16.667 0.310 4 HA MET 1 HA MET 1 -0.860 15.840 0.630 5 HB2 MET 1 2HB MET 1 -1.079 15.912 -2.423 6 HB3 MET 1 3HB MET 1 -2.293 15.253 -1.327 7 HG2 MET 1 2HG MET 1 -2.995 17.453 -2.053 8 HG3 MET 1 3HG MET 1 -2.585 17.523 -0.337 9 HE1 MET 1 1HE MET 1 -2.125 20.106 -0.029 10 HE2 MET 1 2HE MET 1 -2.888 20.256 -1.613 11 HE3 MET 1 3HE MET 1 -1.369 21.088 -1.283 12 H GLY 2 H GLY 2 1.414 14.766 1.114 13 HA2 GLY 2 2HA GLY 2 2.340 12.683 -0.653 14 HA3 GLY 2 3HA GLY 2 2.924 13.039 0.962 15 H THR 3 H THR 3 0.679 11.183 -0.913 16 HA THR 3 HA THR 3 -0.341 9.736 1.472 17 HB THR 3 HB THR 3 -1.562 10.113 -1.307 18 HG1 THR 3 HG1 THR 3 -1.544 11.961 0.170 19 HG21 THR 3 1HG2 THR 3 -3.603 9.097 -0.380 20 HG22 THR 3 2HG2 THR 3 -2.771 8.786 1.143 21 HG23 THR 3 3HG2 THR 3 -2.260 7.952 -0.326 22 H VAL 4 H VAL 4 0.793 7.850 1.721 23 HA VAL 4 HA VAL 4 1.802 6.387 -0.658 24 HB VAL 4 HB VAL 4 2.777 6.148 2.243 25 HG11 VAL 4 1HG1 VAL 4 4.699 4.939 1.269 26 HG12 VAL 4 2HG1 VAL 4 3.979 5.069 -0.338 27 HG13 VAL 4 3HG1 VAL 4 3.178 4.117 0.914 28 HG21 VAL 4 1HG2 VAL 4 4.048 7.687 -0.058 29 HG22 VAL 4 2HG2 VAL 4 4.784 7.419 1.526 30 HG23 VAL 4 3HG2 VAL 4 3.312 8.388 1.387 31 H VAL 5 H VAL 5 0.308 4.884 -1.198 32 HA VAL 5 HA VAL 5 -1.275 3.473 0.832 33 HB VAL 5 HB VAL 5 -1.462 3.313 -2.223 34 HG11 VAL 5 1HG1 VAL 5 -3.431 2.369 -0.100 35 HG12 VAL 5 2HG1 VAL 5 -2.433 1.336 -1.128 36 HG13 VAL 5 3HG1 VAL 5 -3.699 2.334 -1.844 37 HG21 VAL 5 1HG2 VAL 5 -1.927 5.605 -1.447 38 HG22 VAL 5 2HG2 VAL 5 -3.125 4.993 -0.303 39 HG23 VAL 5 3HG2 VAL 5 -3.402 4.834 -2.039 40 H ILE 6 H ILE 6 -0.256 1.758 1.725 41 HA ILE 6 HA ILE 6 1.766 0.219 0.238 42 HB ILE 6 HB ILE 6 1.045 0.273 3.213 43 HG12 ILE 6 2HG1 ILE 6 2.201 2.317 2.511 44 HG13 ILE 6 3HG1 ILE 6 3.301 1.339 3.475 45 HG21 ILE 6 1HG2 ILE 6 3.061 -1.123 3.598 46 HG22 ILE 6 2HG2 ILE 6 3.268 -1.309 1.854 47 HG23 ILE 6 3HG2 ILE 6 1.840 -1.976 2.649 48 HD11 ILE 6 1HD1 ILE 6 3.308 1.599 0.469 49 HD12 ILE 6 2HD1 ILE 6 4.395 0.565 1.403 50 HD13 ILE 6 3HD1 ILE 6 4.453 2.317 1.599 51 H VAL 7 H VAL 7 0.782 -1.297 -0.996 52 HA VAL 7 HA VAL 7 -1.364 -2.996 0.096 53 HB VAL 7 HB VAL 7 -0.150 -2.970 -2.718 54 HG11 VAL 7 1HG1 VAL 7 -2.651 -4.377 -1.704 55 HG12 VAL 7 2HG1 VAL 7 -1.132 -5.162 -2.150 56 HG13 VAL 7 3HG1 VAL 7 -2.092 -4.336 -3.378 57 HG21 VAL 7 1HG2 VAL 7 -2.758 -1.742 -1.735 58 HG22 VAL 7 2HG2 VAL 7 -2.214 -1.798 -3.413 59 HG23 VAL 7 3HG2 VAL 7 -1.311 -0.854 -2.227 60 H VAL 8 H VAL 8 -0.968 -5.007 0.813 61 HA VAL 8 HA VAL 8 1.646 -6.333 0.368 62 HB VAL 8 HB VAL 8 -0.001 -6.188 2.960 63 HG11 VAL 8 1HG1 VAL 8 2.502 -7.836 2.422 64 HG12 VAL 8 2HG1 VAL 8 0.880 -8.461 2.729 65 HG13 VAL 8 3HG1 VAL 8 1.751 -7.609 4.003 66 HG21 VAL 8 1HG2 VAL 8 1.366 -4.182 2.578 67 HG22 VAL 8 2HG2 VAL 8 2.808 -5.176 2.366 68 HG23 VAL 8 3HG2 VAL 8 2.005 -5.112 3.937 69 H SER 9 H SER 9 1.104 -7.996 -0.999 70 HA SER 9 HA SER 9 -0.857 -9.994 -0.071 71 HB2 SER 9 2HB SER 9 -0.744 -8.974 -2.955 72 HB3 SER 9 3HB SER 9 -1.788 -10.263 -2.355 73 HG SER 9 HG SER 9 -2.484 -8.435 -0.827 74 H ARG 10 H ARG 10 -0.101 -12.130 -0.408 75 HA ARG 10 HA ARG 10 2.687 -12.369 -1.220 76 HB2 ARG 10 2HB ARG 10 2.720 -14.377 -0.093 77 HB3 ARG 10 3HB ARG 10 1.266 -13.740 0.656 78 HG2 ARG 10 2HG ARG 10 -0.070 -15.034 -1.083 79 HG3 ARG 10 3HG ARG 10 1.445 -15.781 -1.585 80 HD2 ARG 10 2HD ARG 10 1.729 -16.602 0.784 81 HD3 ARG 10 3HD ARG 10 0.104 -16.003 1.132 82 HE ARG 10 HE ARG 10 0.735 -18.125 -0.835 83 HH11 ARG 10 1HH1 ARG 10 -1.457 -16.776 1.559 84 HH12 ARG 10 2HH1 ARG 10 -2.587 -18.088 1.438 85 HH21 ARG 10 1HH2 ARG 10 -0.702 -19.846 -0.965 86 HH22 ARG 10 2HH2 ARG 10 -2.154 -19.842 -0.014 87 H ASP 11 H ASP 11 -0.451 -13.047 -2.559 88 HA ASP 11 HA ASP 11 0.464 -14.793 -4.690 89 HB2 ASP 11 2HB ASP 11 -1.701 -15.095 -3.452 90 HB3 ASP 11 3HB ASP 11 -2.283 -13.591 -4.147 91 H GLU 12 H GLU 12 1.213 -14.063 -6.580 92 HA GLU 12 HA GLU 12 1.414 -11.368 -7.366 93 HB2 GLU 12 2HB GLU 12 1.722 -13.836 -9.143 94 HB3 GLU 12 3HB GLU 12 2.314 -12.213 -9.505 95 HG2 GLU 12 2HG GLU 12 3.748 -12.347 -7.452 96 HG3 GLU 12 3HG GLU 12 3.242 -14.022 -7.266 97 H ARG 13 H ARG 13 -0.981 -13.810 -8.085 98 HA ARG 13 HA ARG 13 -2.417 -12.676 -10.168 99 HB2 ARG 13 2HB ARG 13 -3.088 -14.482 -7.859 100 HB3 ARG 13 3HB ARG 13 -4.445 -13.779 -8.716 101 HG2 ARG 13 2HG ARG 13 -2.266 -15.382 -10.093 102 HG3 ARG 13 3HG ARG 13 -3.755 -16.089 -9.464 103 HD2 ARG 13 2HD ARG 13 -3.532 -13.992 -11.653 104 HD3 ARG 13 3HD ARG 13 -4.035 -15.677 -11.839 105 HE ARG 13 HE ARG 13 -5.564 -13.568 -10.425 106 HH11 ARG 13 1HH1 ARG 13 -5.588 -16.639 -12.173 107 HH12 ARG 13 2HH1 ARG 13 -7.320 -16.752 -12.156 108 HH21 ARG 13 1HH2 ARG 13 -7.804 -13.784 -10.346 109 HH22 ARG 13 2HH2 ARG 13 -8.570 -15.141 -11.122 110 H ILE 14 H ILE 14 -2.543 -11.935 -6.697 111 HA ILE 14 HA ILE 14 -4.754 -10.134 -6.874 112 HB ILE 14 HB ILE 14 -2.717 -10.399 -4.607 113 HG12 ILE 14 2HG1 ILE 14 -5.416 -11.799 -4.990 114 HG13 ILE 14 3HG1 ILE 14 -3.840 -12.572 -5.096 115 HG21 ILE 14 1HG2 ILE 14 -5.520 -9.208 -4.595 116 HG22 ILE 14 2HG2 ILE 14 -4.013 -8.298 -4.478 117 HG23 ILE 14 3HG2 ILE 14 -4.481 -9.399 -3.183 118 HD11 ILE 14 1HD1 ILE 14 -3.465 -12.118 -2.717 119 HD12 ILE 14 2HD1 ILE 14 -4.916 -13.079 -2.996 120 HD13 ILE 14 3HD1 ILE 14 -5.057 -11.364 -2.614 121 H LEU 15 H LEU 15 -1.168 -9.620 -6.642 122 HA LEU 15 HA LEU 15 -1.198 -6.814 -6.386 123 HB2 LEU 15 2HB LEU 15 0.964 -8.590 -7.573 124 HB3 LEU 15 3HB LEU 15 1.167 -6.861 -7.377 125 HG LEU 15 HG LEU 15 2.307 -7.742 -5.544 126 HD11 LEU 15 1HD1 LEU 15 0.825 -5.953 -4.802 127 HD12 LEU 15 2HD1 LEU 15 1.115 -7.123 -3.519 128 HD13 LEU 15 3HD1 LEU 15 -0.425 -7.132 -4.385 129 HD21 LEU 15 1HD2 LEU 15 1.572 -9.536 -4.082 130 HD22 LEU 15 2HD2 LEU 15 1.606 -10.068 -5.760 131 HD23 LEU 15 3HD2 LEU 15 0.065 -9.690 -4.988 132 H GLU 16 H GLU 16 -1.078 -8.783 -9.352 133 HA GLU 16 HA GLU 16 -0.591 -6.630 -11.152 134 HB2 GLU 16 2HB GLU 16 -1.043 -8.238 -12.947 135 HB3 GLU 16 3HB GLU 16 -0.023 -8.963 -11.709 136 HG2 GLU 16 2HG GLU 16 -2.024 -10.132 -10.779 137 HG3 GLU 16 3HG GLU 16 -3.001 -9.450 -12.078 138 H GLU 17 H GLU 17 -3.569 -8.175 -10.014 139 HA GLU 17 HA GLU 17 -5.382 -6.850 -11.769 140 HB2 GLU 17 2HB GLU 17 -5.814 -8.081 -9.013 141 HB3 GLU 17 3HB GLU 17 -7.115 -7.530 -10.066 142 HG2 GLU 17 2HG GLU 17 -5.155 -9.755 -10.673 143 HG3 GLU 17 3HG GLU 17 -6.830 -9.953 -10.169 144 H LEU 18 H LEU 18 -4.204 -6.182 -8.495 145 HA LEU 18 HA LEU 18 -5.785 -3.870 -8.002 146 HB2 LEU 18 2HB LEU 18 -3.199 -4.796 -6.696 147 HB3 LEU 18 3HB LEU 18 -4.226 -3.509 -6.083 148 HG LEU 18 HG LEU 18 -4.877 -6.476 -6.212 149 HD11 LEU 18 1HD1 LEU 18 -3.486 -5.830 -4.318 150 HD12 LEU 18 2HD1 LEU 18 -5.097 -6.286 -3.773 151 HD13 LEU 18 3HD1 LEU 18 -4.645 -4.581 -3.858 152 HD21 LEU 18 1HD2 LEU 18 -6.882 -5.245 -6.870 153 HD22 LEU 18 2HD2 LEU 18 -6.755 -4.237 -5.427 154 HD23 LEU 18 3HD2 LEU 18 -7.074 -5.964 -5.272 155 H LEU 19 H LEU 19 -2.633 -4.378 -9.455 156 HA LEU 19 HA LEU 19 -1.677 -1.734 -9.557 157 HB2 LEU 19 2HB LEU 19 -0.262 -3.700 -10.033 158 HB3 LEU 19 3HB LEU 19 -1.208 -4.058 -11.467 159 HG LEU 19 HG LEU 19 -0.384 -1.964 -12.539 160 HD11 LEU 19 1HD1 LEU 19 1.333 -1.620 -10.061 161 HD12 LEU 19 2HD1 LEU 19 0.000 -0.578 -10.565 162 HD13 LEU 19 3HD1 LEU 19 1.458 -0.675 -11.548 163 HD21 LEU 19 1HD2 LEU 19 1.924 -2.693 -12.937 164 HD22 LEU 19 2HD2 LEU 19 0.813 -4.061 -12.942 165 HD23 LEU 19 3HD2 LEU 19 1.843 -3.767 -11.537 166 H GLU 20 H GLU 20 -3.672 -3.626 -11.823 167 HA GLU 20 HA GLU 20 -4.012 -1.679 -13.827 168 HB2 GLU 20 2HB GLU 20 -5.792 -4.019 -13.030 169 HB3 GLU 20 3HB GLU 20 -6.054 -3.044 -14.472 170 HG2 GLU 20 2HG GLU 20 -3.596 -4.716 -13.893 171 HG3 GLU 20 3HG GLU 20 -4.908 -5.155 -14.983 172 H VAL 21 H VAL 21 -5.774 -2.227 -10.803 173 HA VAL 21 HA VAL 21 -8.092 -0.754 -11.349 174 HB VAL 21 HB VAL 21 -6.776 -1.216 -8.629 175 HG11 VAL 21 1HG1 VAL 21 -9.014 -0.790 -7.653 176 HG12 VAL 21 2HG1 VAL 21 -9.633 -0.364 -9.251 177 HG13 VAL 21 3HG1 VAL 21 -8.393 0.634 -8.492 178 HG21 VAL 21 1HG2 VAL 21 -8.380 -3.084 -8.390 179 HG22 VAL 21 2HG2 VAL 21 -7.331 -3.322 -9.784 180 HG23 VAL 21 3HG2 VAL 21 -8.990 -2.779 -10.023 181 H VAL 22 H VAL 22 -4.978 0.389 -9.906 182 HA VAL 22 HA VAL 22 -5.843 3.099 -9.523 183 HB VAL 22 HB VAL 22 -2.931 2.294 -9.979 184 HG11 VAL 22 1HG1 VAL 22 -2.433 4.255 -8.542 185 HG12 VAL 22 2HG1 VAL 22 -4.158 4.600 -8.399 186 HG13 VAL 22 3HG1 VAL 22 -3.362 4.725 -9.970 187 HG21 VAL 22 1HG2 VAL 22 -3.864 0.806 -8.262 188 HG22 VAL 22 2HG2 VAL 22 -4.435 2.200 -7.343 189 HG23 VAL 22 3HG2 VAL 22 -2.703 1.936 -7.563 190 H LEU 23 H LEU 23 -4.224 1.390 -12.182 191 HA LEU 23 HA LEU 23 -3.570 3.653 -13.772 192 HB2 LEU 23 2HB LEU 23 -4.003 0.778 -14.673 193 HB3 LEU 23 3HB LEU 23 -3.156 2.022 -15.582 194 HG LEU 23 HG LEU 23 -2.220 0.892 -12.911 195 HD11 LEU 23 1HD1 LEU 23 -0.475 -0.274 -14.183 196 HD12 LEU 23 2HD1 LEU 23 -1.190 0.287 -15.696 197 HD13 LEU 23 3HD1 LEU 23 -2.089 -0.813 -14.649 198 HD21 LEU 23 1HD2 LEU 23 -1.438 3.187 -13.235 199 HD22 LEU 23 2HD2 LEU 23 -0.784 2.763 -14.818 200 HD23 LEU 23 3HD2 LEU 23 -0.099 2.042 -13.358 201 H LYS 24 H LYS 24 -6.501 1.733 -13.477 202 HA LYS 24 HA LYS 24 -7.879 2.733 -15.793 203 HB2 LYS 24 2HB LYS 24 -8.844 1.353 -13.251 204 HB3 LYS 24 3HB LYS 24 -9.931 1.802 -14.558 205 HG2 LYS 24 2HG LYS 24 -7.567 -0.054 -14.942 206 HG3 LYS 24 3HG LYS 24 -9.177 -0.618 -14.506 207 HD2 LYS 24 2HD LYS 24 -8.512 0.944 -17.033 208 HD3 LYS 24 3HD LYS 24 -8.703 -0.808 -16.943 209 HE2 LYS 24 2HE LYS 24 -11.061 -0.470 -16.154 210 HE3 LYS 24 3HE LYS 24 -10.853 1.269 -16.388 211 HZ1 LYS 24 1HZ LYS 24 -11.949 0.234 -18.282 212 HZ2 LYS 24 2HZ LYS 24 -10.628 -0.792 -18.517 213 HZ3 LYS 24 3HZ LYS 24 -10.451 0.871 -18.734 214 H SER 25 H SER 25 -7.452 3.825 -12.501 215 HA SER 25 HA SER 25 -9.620 5.796 -12.587 216 HB2 SER 25 2HB SER 25 -9.376 4.543 -10.513 217 HB3 SER 25 3HB SER 25 -7.664 4.947 -10.396 218 HG SER 25 HG SER 25 -8.164 6.800 -9.546 219 H ASP 26 H ASP 26 -6.238 5.977 -11.489 220 HA ASP 26 HA ASP 26 -5.732 8.488 -12.887 221 HB2 ASP 26 2HB ASP 26 -5.104 9.634 -10.765 222 HB3 ASP 26 3HB ASP 26 -6.811 9.230 -10.821 223 HA PRO 27 HA PRO 27 -1.908 5.831 -12.740 224 HB2 PRO 27 2HB PRO 27 -1.205 6.172 -15.370 225 HB3 PRO 27 3HB PRO 27 -2.394 4.959 -14.850 226 HG2 PRO 27 2HG PRO 27 -2.887 7.692 -15.998 227 HG3 PRO 27 3HG PRO 27 -3.668 6.146 -16.405 228 HD2 PRO 27 2HD PRO 27 -4.830 7.961 -14.741 229 HD3 PRO 27 3HD PRO 27 -5.070 6.209 -14.552 230 H ASN 28 H ASN 28 -2.638 9.105 -13.089 231 HA ASN 28 HA ASN 28 -0.152 10.357 -13.453 232 HB2 ASN 28 2HB ASN 28 -2.407 11.253 -11.588 233 HB3 ASN 28 3HB ASN 28 -1.126 12.278 -12.224 234 HD21 ASN 28 1HD2 ASN 28 -4.156 10.778 -12.864 235 HD22 ASN 28 2HD2 ASN 28 -4.430 11.486 -14.416 236 H VAL 29 H VAL 29 -1.674 8.958 -10.595 237 HA VAL 29 HA VAL 29 0.370 9.520 -8.699 238 HB VAL 29 HB VAL 29 -1.760 7.322 -8.762 239 HG11 VAL 29 1HG1 VAL 29 0.063 6.632 -7.260 240 HG12 VAL 29 2HG1 VAL 29 -1.380 7.042 -6.332 241 HG13 VAL 29 3HG1 VAL 29 -0.029 8.177 -6.411 242 HG21 VAL 29 1HG2 VAL 29 -1.709 9.997 -7.319 243 HG22 VAL 29 2HG2 VAL 29 -2.975 8.776 -7.164 244 HG23 VAL 29 3HG2 VAL 29 -2.710 9.578 -8.713 245 H LYS 30 H LYS 30 2.274 8.479 -8.338 246 HA LYS 30 HA LYS 30 3.353 6.718 -10.291 247 HB2 LYS 30 2HB LYS 30 4.743 8.324 -8.988 248 HB3 LYS 30 3HB LYS 30 4.435 7.407 -7.518 249 HG2 LYS 30 2HG LYS 30 6.678 6.938 -8.446 250 HG3 LYS 30 3HG LYS 30 5.671 5.487 -8.419 251 HD2 LYS 30 2HD LYS 30 5.177 5.797 -10.838 252 HD3 LYS 30 3HD LYS 30 6.202 7.237 -10.854 253 HE2 LYS 30 2HE LYS 30 7.373 5.275 -11.766 254 HE3 LYS 30 3HE LYS 30 8.163 5.861 -10.301 255 HZ1 LYS 30 1HZ LYS 30 7.920 3.416 -10.457 256 HZ2 LYS 30 2HZ LYS 30 6.243 3.594 -10.340 257 HZ3 LYS 30 3HZ LYS 30 7.243 4.080 -9.063 258 H THR 31 H THR 31 3.108 4.563 -10.432 259 HA THR 31 HA THR 31 2.172 3.015 -8.075 260 HB THR 31 HB THR 31 1.241 1.403 -9.813 261 HG1 THR 31 HG1 THR 31 2.105 1.842 -11.732 262 HG21 THR 31 1HG2 THR 31 -0.256 2.999 -8.675 263 HG22 THR 31 2HG2 THR 31 -0.759 2.738 -10.347 264 HG23 THR 31 3HG2 THR 31 0.099 4.216 -9.905 265 H VAL 32 H VAL 32 3.347 1.281 -7.471 266 HA VAL 32 HA VAL 32 5.660 0.394 -9.103 267 HB VAL 32 HB VAL 32 5.795 0.862 -6.069 268 HG11 VAL 32 1HG1 VAL 32 8.231 0.506 -6.351 269 HG12 VAL 32 2HG1 VAL 32 7.993 0.190 -8.069 270 HG13 VAL 32 3HG1 VAL 32 7.307 -0.907 -6.871 271 HG21 VAL 32 1HG2 VAL 32 5.596 3.036 -7.213 272 HG22 VAL 32 2HG2 VAL 32 6.968 2.629 -8.247 273 HG23 VAL 32 3HG2 VAL 32 7.202 2.825 -6.510 274 H ARG 33 H ARG 33 5.495 -1.781 -9.365 275 HA ARG 33 HA ARG 33 4.308 -3.413 -7.186 276 HB2 ARG 33 2HB ARG 33 3.102 -3.637 -9.338 277 HB3 ARG 33 3HB ARG 33 4.601 -4.085 -10.150 278 HG2 ARG 33 2HG ARG 33 4.747 -6.113 -8.699 279 HG3 ARG 33 3HG ARG 33 3.194 -5.674 -7.974 280 HD2 ARG 33 2HD ARG 33 2.974 -7.391 -9.747 281 HD3 ARG 33 3HD ARG 33 2.074 -5.918 -10.130 282 HE ARG 33 HE ARG 33 4.619 -5.703 -11.287 283 HH11 ARG 33 1HH1 ARG 33 1.778 -7.750 -11.702 284 HH12 ARG 33 2HH1 ARG 33 2.083 -8.023 -13.389 285 HH21 ARG 33 1HH2 ARG 33 4.981 -6.024 -13.493 286 HH22 ARG 33 2HH2 ARG 33 3.912 -7.038 -14.413 287 H THR 34 H THR 34 6.032 -3.750 -5.937 288 HA THR 34 HA THR 34 8.541 -4.841 -7.078 289 HB THR 34 HB THR 34 8.943 -2.577 -6.246 290 HG1 THR 34 HG1 THR 34 10.224 -3.516 -4.149 291 HG21 THR 34 1HG2 THR 34 7.843 -3.501 -3.569 292 HG22 THR 34 2HG2 THR 34 7.050 -2.371 -4.672 293 HG23 THR 34 3HG2 THR 34 8.578 -1.932 -3.905 294 H ASP 35 H ASP 35 9.774 -6.114 -5.492 295 HA ASP 35 HA ASP 35 8.099 -7.775 -3.696 296 HB2 ASP 35 2HB ASP 35 9.253 -8.965 -5.571 297 HB3 ASP 35 3HB ASP 35 10.801 -8.348 -5.020 298 H ASP 36 H ASP 36 10.838 -5.642 -3.952 299 HA ASP 36 HA ASP 36 11.962 -6.315 -1.334 300 HB2 ASP 36 2HB ASP 36 12.898 -4.381 -3.502 301 HB3 ASP 36 3HB ASP 36 13.792 -4.765 -2.033 302 H LYS 37 H LYS 37 11.590 -5.136 0.446 303 HA LYS 37 HA LYS 37 10.039 -2.787 0.662 304 HB2 LYS 37 2HB LYS 37 10.706 -2.675 2.989 305 HB3 LYS 37 3HB LYS 37 10.435 -4.346 2.564 306 HG2 LYS 37 2HG LYS 37 13.193 -3.110 2.724 307 HG3 LYS 37 3HG LYS 37 12.401 -3.883 4.095 308 HD2 LYS 37 2HD LYS 37 12.347 -6.025 2.871 309 HD3 LYS 37 3HD LYS 37 13.090 -5.250 1.466 310 HE2 LYS 37 2HE LYS 37 15.100 -4.746 2.830 311 HE3 LYS 37 3HE LYS 37 14.361 -5.563 4.208 312 HZ1 LYS 37 1HZ LYS 37 15.933 -6.973 3.021 313 HZ2 LYS 37 2HZ LYS 37 15.015 -6.845 1.609 314 HZ3 LYS 37 3HZ LYS 37 14.372 -7.618 2.966 315 H GLU 38 H GLU 38 13.428 -3.280 0.153 316 HA GLU 38 HA GLU 38 14.511 -0.750 0.771 317 HB2 GLU 38 2HB GLU 38 15.441 -2.732 -1.349 318 HB3 GLU 38 3HB GLU 38 16.431 -1.500 -0.567 319 HG2 GLU 38 2HG GLU 38 16.512 -2.681 1.478 320 HG3 GLU 38 3HG GLU 38 15.112 -3.672 1.068 321 H LYS 39 H LYS 39 13.328 -2.183 -2.247 322 HA LYS 39 HA LYS 39 13.822 0.000 -3.953 323 HB2 LYS 39 2HB LYS 39 13.530 -2.337 -4.751 324 HB3 LYS 39 3HB LYS 39 11.829 -2.283 -4.299 325 HG2 LYS 39 2HG LYS 39 12.065 -1.973 -6.707 326 HG3 LYS 39 3HG LYS 39 11.448 -0.488 -5.974 327 HD2 LYS 39 2HD LYS 39 13.812 0.417 -6.008 328 HD3 LYS 39 3HD LYS 39 14.301 -1.023 -6.907 329 HE2 LYS 39 2HE LYS 39 12.281 1.060 -7.812 330 HE3 LYS 39 3HE LYS 39 13.923 0.868 -8.420 331 HZ1 LYS 39 1HZ LYS 39 11.690 -1.059 -8.724 332 HZ2 LYS 39 2HZ LYS 39 13.278 -1.361 -9.207 333 HZ3 LYS 39 3HZ LYS 39 12.399 -0.120 -9.934 334 H VAL 40 H VAL 40 11.026 -0.886 -1.948 335 HA VAL 40 HA VAL 40 9.127 0.959 -2.849 336 HB VAL 40 HB VAL 40 9.587 0.107 0.053 337 HG11 VAL 40 1HG1 VAL 40 7.168 0.641 0.352 338 HG12 VAL 40 2HG1 VAL 40 7.127 1.292 -1.283 339 HG13 VAL 40 3HG1 VAL 40 8.131 2.064 -0.056 340 HG21 VAL 40 1HG2 VAL 40 7.800 -1.161 -2.052 341 HG22 VAL 40 2HG2 VAL 40 7.870 -1.626 -0.349 342 HG23 VAL 40 3HG2 VAL 40 9.278 -1.855 -1.388 343 H LYS 41 H LYS 41 11.723 1.335 -0.440 344 HA LYS 41 HA LYS 41 11.098 4.004 0.330 345 HB2 LYS 41 2HB LYS 41 13.680 2.420 0.623 346 HB3 LYS 41 3HB LYS 41 13.359 3.967 1.408 347 HG2 LYS 41 2HG LYS 41 11.495 2.965 2.665 348 HG3 LYS 41 3HG LYS 41 11.786 1.410 1.870 349 HD2 LYS 41 2HD LYS 41 14.032 1.292 2.877 350 HD3 LYS 41 3HD LYS 41 13.798 2.875 3.624 351 HE2 LYS 41 2HE LYS 41 11.955 1.964 4.983 352 HE3 LYS 41 3HE LYS 41 12.177 0.381 4.227 353 HZ1 LYS 41 1HZ LYS 41 14.186 1.812 5.894 354 HZ2 LYS 41 2HZ LYS 41 14.422 0.312 5.147 355 HZ3 LYS 41 3HZ LYS 41 13.267 0.474 6.364 356 H GLU 42 H GLU 42 13.186 2.649 -2.204 357 HA GLU 42 HA GLU 42 14.525 5.012 -3.011 358 HB2 GLU 42 2HB GLU 42 13.564 2.789 -4.874 359 HB3 GLU 42 3HB GLU 42 14.869 3.926 -5.188 360 HG2 GLU 42 2HG GLU 42 14.829 1.634 -3.226 361 HG3 GLU 42 3HG GLU 42 15.836 1.807 -4.661 362 H GLU 43 H GLU 43 11.467 3.564 -3.966 363 HA GLU 43 HA GLU 43 10.690 5.553 -5.845 364 HB2 GLU 43 2HB GLU 43 9.105 3.378 -4.428 365 HB3 GLU 43 3HB GLU 43 8.492 4.342 -5.768 366 HG2 GLU 43 2HG GLU 43 10.893 2.495 -5.908 367 HG3 GLU 43 3HG GLU 43 9.273 2.101 -6.470 368 H ILE 44 H ILE 44 10.151 5.148 -2.364 369 HA ILE 44 HA ILE 44 8.109 7.075 -2.011 370 HB ILE 44 HB ILE 44 10.225 6.032 -0.061 371 HG12 ILE 44 2HG1 ILE 44 7.208 5.580 -0.284 372 HG13 ILE 44 3HG1 ILE 44 8.471 4.406 -0.620 373 HG21 ILE 44 1HG2 ILE 44 9.046 7.190 1.787 374 HG22 ILE 44 2HG2 ILE 44 7.999 7.992 0.617 375 HG23 ILE 44 3HG2 ILE 44 9.727 8.343 0.632 376 HD11 ILE 44 1HD1 ILE 44 9.086 4.478 1.796 377 HD12 ILE 44 2HD1 ILE 44 7.464 3.870 1.467 378 HD13 ILE 44 3HD1 ILE 44 7.678 5.514 2.068 379 H GLU 45 H GLU 45 11.667 7.292 -1.978 380 HA GLU 45 HA GLU 45 11.941 10.034 -1.423 381 HB2 GLU 45 2HB GLU 45 13.721 8.133 -3.000 382 HB3 GLU 45 3HB GLU 45 14.197 9.777 -2.596 383 HG2 GLU 45 2HG GLU 45 13.563 7.585 -0.605 384 HG3 GLU 45 3HG GLU 45 15.176 8.130 -1.061 385 H LYS 46 H LYS 46 11.528 8.338 -4.518 386 HA LYS 46 HA LYS 46 11.967 10.524 -6.261 387 HB2 LYS 46 2HB LYS 46 10.345 7.972 -6.651 388 HB3 LYS 46 3HB LYS 46 10.780 9.079 -7.954 389 HG2 LYS 46 2HG LYS 46 13.132 8.603 -7.687 390 HG3 LYS 46 3HG LYS 46 12.836 7.710 -6.193 391 HD2 LYS 46 2HD LYS 46 13.277 6.157 -8.036 392 HD3 LYS 46 3HD LYS 46 11.625 5.969 -7.453 393 HE2 LYS 46 2HE LYS 46 10.830 7.347 -9.381 394 HE3 LYS 46 3HE LYS 46 12.492 7.425 -9.974 395 HZ1 LYS 46 1HZ LYS 46 12.505 5.032 -10.196 396 HZ2 LYS 46 2HZ LYS 46 11.210 5.672 -11.066 397 HZ3 LYS 46 3HZ LYS 46 10.937 4.917 -9.579 398 H ALA 47 H ALA 47 8.898 9.083 -5.101 399 HA ALA 47 HA ALA 47 7.164 10.956 -6.357 400 HB1 ALA 47 1HB ALA 47 6.630 9.095 -4.015 401 HB2 ALA 47 2HB ALA 47 6.453 8.693 -5.722 402 HB3 ALA 47 3HB ALA 47 5.399 9.907 -5.000 403 H ARG 48 H ARG 48 8.611 10.789 -3.155 404 HA ARG 48 HA ARG 48 7.336 12.884 -1.803 405 HB2 ARG 48 2HB ARG 48 8.758 11.414 -0.559 406 HB3 ARG 48 3HB ARG 48 10.115 11.669 -1.643 407 HG2 ARG 48 2HG ARG 48 10.266 14.034 -0.758 408 HG3 ARG 48 3HG ARG 48 9.053 13.596 0.444 409 HD2 ARG 48 2HD ARG 48 10.513 12.020 1.494 410 HD3 ARG 48 3HD ARG 48 11.632 12.036 0.126 411 HE ARG 48 HE ARG 48 11.324 14.591 1.444 412 HH11 ARG 48 1HH1 ARG 48 13.177 11.590 1.422 413 HH12 ARG 48 2HH1 ARG 48 14.534 12.294 2.243 414 HH21 ARG 48 1HH2 ARG 48 13.099 15.479 2.559 415 HH22 ARG 48 2HH2 ARG 48 14.491 14.495 2.883 416 H LYS 49 H LYS 49 10.361 12.929 -3.719 417 HA LYS 49 HA LYS 49 10.785 15.738 -3.472 418 HB2 LYS 49 2HB LYS 49 12.032 13.681 -5.338 419 HB3 LYS 49 3HB LYS 49 12.540 15.368 -5.278 420 HG2 LYS 49 2HG LYS 49 13.138 15.089 -2.876 421 HG3 LYS 49 3HG LYS 49 12.687 13.386 -2.973 422 HD2 LYS 49 2HD LYS 49 14.906 14.706 -4.596 423 HD3 LYS 49 3HD LYS 49 15.152 13.746 -3.139 424 HE2 LYS 49 2HE LYS 49 14.207 11.763 -4.293 425 HE3 LYS 49 3HE LYS 49 13.987 12.726 -5.758 426 HZ1 LYS 49 1HZ LYS 49 16.025 11.420 -5.849 427 HZ2 LYS 49 2HZ LYS 49 16.593 12.156 -4.437 428 HZ3 LYS 49 3HZ LYS 49 16.385 13.074 -5.842 429 H GLN 50 H GLN 50 9.074 13.772 -5.855 430 HA GLN 50 HA GLN 50 8.634 15.858 -7.785 431 HB2 GLN 50 2HB GLN 50 7.110 13.276 -7.231 432 HB3 GLN 50 3HB GLN 50 6.715 14.364 -8.558 433 HG2 GLN 50 2HG GLN 50 8.955 13.991 -9.533 434 HG3 GLN 50 3HG GLN 50 9.338 12.891 -8.206 435 HE21 GLN 50 1HE2 GLN 50 8.279 10.881 -8.099 436 HE22 GLN 50 2HE2 GLN 50 7.478 10.195 -9.468 437 H GLY 51 H GLY 51 7.148 14.946 -4.759 438 HA2 GLY 51 2HA GLY 51 5.593 16.002 -3.447 439 HA3 GLY 51 3HA GLY 51 5.472 17.287 -4.642 440 H ARG 52 H ARG 52 4.814 13.774 -4.629 441 HA ARG 52 HA ARG 52 1.990 14.215 -5.285 442 HB2 ARG 52 2HB ARG 52 2.026 12.773 -7.243 443 HB3 ARG 52 3HB ARG 52 3.178 14.079 -7.486 444 HG2 ARG 52 2HG ARG 52 5.047 12.566 -7.010 445 HG3 ARG 52 3HG ARG 52 3.919 11.254 -6.643 446 HD2 ARG 52 2HD ARG 52 4.852 11.020 -8.912 447 HD3 ARG 52 3HD ARG 52 3.104 11.278 -8.969 448 HE ARG 52 HE ARG 52 4.608 13.713 -9.199 449 HH11 ARG 52 1HH1 ARG 52 3.379 11.006 -11.112 450 HH12 ARG 52 2HH1 ARG 52 3.391 11.908 -12.594 451 HH21 ARG 52 1HH2 ARG 52 4.587 14.875 -11.120 452 HH22 ARG 52 2HH2 ARG 52 4.079 14.116 -12.597 453 HA PRO 53 HA PRO 53 1.502 10.401 -2.837 454 HB2 PRO 53 2HB PRO 53 -0.781 9.339 -3.986 455 HB3 PRO 53 3HB PRO 53 -0.802 10.708 -2.857 456 HG2 PRO 53 2HG PRO 53 -0.904 10.758 -5.857 457 HG3 PRO 53 3HG PRO 53 -1.887 11.667 -4.684 458 HD2 PRO 53 2HD PRO 53 0.211 12.818 -5.924 459 HD3 PRO 53 3HD PRO 53 -0.178 13.197 -4.230 460 H ILE 54 H ILE 54 1.457 8.040 -3.083 461 HA ILE 54 HA ILE 54 2.197 6.894 -5.660 462 HB ILE 54 HB ILE 54 4.352 7.682 -4.779 463 HG12 ILE 54 2HG1 ILE 54 4.224 4.649 -4.484 464 HG13 ILE 54 3HG1 ILE 54 4.260 5.494 -6.028 465 HG21 ILE 54 1HG2 ILE 54 3.851 5.991 -2.309 466 HG22 ILE 54 2HG2 ILE 54 3.848 7.753 -2.375 467 HG23 ILE 54 3HG2 ILE 54 5.340 6.863 -2.679 468 HD11 ILE 54 1HD1 ILE 54 6.437 4.647 -5.473 469 HD12 ILE 54 2HD1 ILE 54 6.433 5.514 -3.940 470 HD13 ILE 54 3HD1 ILE 54 6.464 6.409 -5.463 471 H VAL 55 H VAL 55 1.512 4.801 -5.834 472 HA VAL 55 HA VAL 55 0.449 3.426 -3.427 473 HB VAL 55 HB VAL 55 -0.416 2.930 -6.329 474 HG11 VAL 55 1HG1 VAL 55 -2.251 1.617 -5.315 475 HG12 VAL 55 2HG1 VAL 55 -1.594 1.920 -3.706 476 HG13 VAL 55 3HG1 VAL 55 -0.675 0.960 -4.866 477 HG21 VAL 55 1HG2 VAL 55 -2.532 4.070 -5.767 478 HG22 VAL 55 2HG2 VAL 55 -1.160 5.168 -5.620 479 HG23 VAL 55 3HG2 VAL 55 -1.899 4.484 -4.172 480 H ILE 56 H ILE 56 1.681 1.809 -2.816 481 HA ILE 56 HA ILE 56 3.647 0.543 -4.603 482 HB ILE 56 HB ILE 56 3.390 0.487 -1.551 483 HG12 ILE 56 2HG1 ILE 56 3.998 2.750 -2.472 484 HG13 ILE 56 3HG1 ILE 56 5.252 2.053 -1.458 485 HG21 ILE 56 1HG2 ILE 56 4.507 -1.534 -2.378 486 HG22 ILE 56 2HG2 ILE 56 5.658 -0.494 -1.545 487 HG23 ILE 56 3HG2 ILE 56 5.648 -0.555 -3.308 488 HD11 ILE 56 1HD1 ILE 56 5.262 2.136 -4.474 489 HD12 ILE 56 2HD1 ILE 56 6.530 1.437 -3.462 490 HD13 ILE 56 3HD1 ILE 56 6.193 3.166 -3.390 491 H PHE 57 H PHE 57 3.659 -1.682 -4.867 492 HA PHE 57 HA PHE 57 1.507 -3.338 -3.694 493 HB2 PHE 57 2HB PHE 57 2.547 -3.466 -6.579 494 HB3 PHE 57 3HB PHE 57 1.349 -4.546 -5.872 495 HD1 PHE 57 HD1 PHE 57 -0.913 -3.654 -5.243 496 HD2 PHE 57 HD2 PHE 57 1.907 -1.287 -7.423 497 HE1 PHE 57 HE1 PHE 57 -2.702 -2.106 -5.895 498 HE2 PHE 57 HE2 PHE 57 0.102 0.255 -8.073 499 HZ PHE 57 HZ PHE 57 -2.197 -0.159 -7.302 500 H ILE 58 H ILE 58 2.632 -4.590 -2.308 501 HA ILE 58 HA ILE 58 5.361 -5.511 -2.977 502 HB ILE 58 HB ILE 58 4.009 -5.675 -0.238 503 HG12 ILE 58 2HG1 ILE 58 5.988 -3.506 -1.062 504 HG13 ILE 58 3HG1 ILE 58 4.246 -3.270 -1.165 505 HG21 ILE 58 1HG2 ILE 58 6.344 -5.905 0.593 506 HG22 ILE 58 2HG2 ILE 58 6.946 -5.833 -1.063 507 HG23 ILE 58 3HG2 ILE 58 5.940 -7.189 -0.551 508 HD11 ILE 58 1HD1 ILE 58 5.157 -2.319 0.864 509 HD12 ILE 58 2HD1 ILE 58 5.773 -3.897 1.357 510 HD13 ILE 58 3HD1 ILE 58 4.030 -3.624 1.228 511 H ARG 59 H ARG 59 5.586 -7.571 -3.589 512 HA ARG 59 HA ARG 59 3.558 -9.589 -3.062 513 HB2 ARG 59 2HB ARG 59 4.738 -9.573 -5.232 514 HB3 ARG 59 3HB ARG 59 6.282 -9.789 -4.410 515 HG2 ARG 59 2HG ARG 59 5.457 -11.992 -3.543 516 HG3 ARG 59 3HG ARG 59 3.990 -11.780 -4.506 517 HD2 ARG 59 2HD ARG 59 5.618 -13.221 -5.647 518 HD3 ARG 59 3HD ARG 59 5.330 -11.737 -6.561 519 HE ARG 59 HE ARG 59 7.548 -11.411 -4.850 520 HH11 ARG 59 1HH1 ARG 59 6.709 -13.046 -7.860 521 HH12 ARG 59 2HH1 ARG 59 8.337 -13.018 -8.454 522 HH21 ARG 59 1HH2 ARG 59 9.631 -11.384 -5.631 523 HH22 ARG 59 2HH2 ARG 59 10.002 -12.069 -7.180 524 H GLY 60 H GLY 60 3.498 -10.279 -0.996 525 HA2 GLY 60 2HA GLY 60 4.039 -11.543 0.823 526 HA3 GLY 60 3HA GLY 60 5.532 -11.988 0.015 527 H ALA 61 H ALA 61 4.039 -9.868 2.346 528 HA ALA 61 HA ALA 61 6.696 -8.855 3.180 529 HB1 ALA 61 1HB ALA 61 5.699 -6.649 3.647 530 HB2 ALA 61 2HB ALA 61 4.155 -7.201 2.994 531 HB3 ALA 61 3HB ALA 61 5.559 -7.064 1.940 532 H THR 62 H THR 62 6.993 -9.889 5.063 533 HA THR 62 HA THR 62 4.912 -10.548 6.945 534 HB THR 62 HB THR 62 7.032 -11.887 6.725 535 HG1 THR 62 HG1 THR 62 7.316 -12.121 9.032 536 HG21 THR 62 1HG2 THR 62 8.340 -9.517 8.122 537 HG22 THR 62 2HG2 THR 62 8.668 -10.056 6.474 538 HG23 THR 62 3HG2 THR 62 9.099 -11.087 7.839 539 H GLU 63 H GLU 63 5.415 -9.840 9.391 540 HA GLU 63 HA GLU 63 4.554 -7.232 9.715 541 HB2 GLU 63 2HB GLU 63 6.103 -8.887 11.762 542 HB3 GLU 63 3HB GLU 63 5.147 -7.450 12.121 543 HG2 GLU 63 2HG GLU 63 3.109 -8.642 11.323 544 HG3 GLU 63 3HG GLU 63 4.091 -10.084 11.063 545 H GLU 64 H GLU 64 7.852 -8.486 9.761 546 HA GLU 64 HA GLU 64 9.276 -6.235 10.667 547 HB2 GLU 64 2HB GLU 64 10.277 -8.389 8.747 548 HB3 GLU 64 3HB GLU 64 11.273 -7.332 9.746 549 HG2 GLU 64 2HG GLU 64 10.374 -8.404 11.783 550 HG3 GLU 64 3HG GLU 64 9.374 -9.457 10.779 551 H VAL 65 H VAL 65 8.612 -7.360 7.351 552 HA VAL 65 HA VAL 65 9.968 -5.342 5.927 553 HB VAL 65 HB VAL 65 7.631 -7.121 5.076 554 HG11 VAL 65 1HG1 VAL 65 8.243 -6.679 2.752 555 HG12 VAL 65 2HG1 VAL 65 9.532 -5.597 3.269 556 HG13 VAL 65 3HG1 VAL 65 7.851 -5.156 3.563 557 HG21 VAL 65 1HG2 VAL 65 9.626 -8.385 5.798 558 HG22 VAL 65 2HG2 VAL 65 10.622 -7.487 4.649 559 HG23 VAL 65 3HG2 VAL 65 9.352 -8.566 4.064 560 H VAL 66 H VAL 66 6.553 -5.658 6.893 561 HA VAL 66 HA VAL 66 5.632 -3.397 5.452 562 HB VAL 66 HB VAL 66 4.260 -4.733 7.827 563 HG11 VAL 66 1HG1 VAL 66 3.126 -3.008 5.584 564 HG12 VAL 66 2HG1 VAL 66 3.297 -2.535 7.278 565 HG13 VAL 66 3HG1 VAL 66 2.175 -3.821 6.832 566 HG21 VAL 66 1HG2 VAL 66 4.784 -6.381 6.055 567 HG22 VAL 66 2HG2 VAL 66 3.964 -5.369 4.866 568 HG23 VAL 66 3HG2 VAL 66 3.047 -6.105 6.184 569 H ARG 67 H ARG 67 6.382 -3.860 8.986 570 HA ARG 67 HA ARG 67 5.776 -1.190 9.706 571 HB2 ARG 67 2HB ARG 67 7.005 -1.524 11.828 572 HB3 ARG 67 3HB ARG 67 5.882 -2.821 11.493 573 HG2 ARG 67 2HG ARG 67 7.783 -3.807 12.492 574 HG3 ARG 67 3HG ARG 67 7.839 -4.240 10.790 575 HD2 ARG 67 2HD ARG 67 10.066 -3.713 11.746 576 HD3 ARG 67 3HD ARG 67 9.642 -2.660 10.397 577 HE ARG 67 HE ARG 67 9.056 -1.613 13.049 578 HH11 ARG 67 1HH1 ARG 67 11.467 -1.727 10.459 579 HH12 ARG 67 2HH1 ARG 67 12.267 -0.281 10.988 580 HH21 ARG 67 1HH2 ARG 67 10.138 0.280 13.708 581 HH22 ARG 67 2HH2 ARG 67 11.518 0.850 12.822 582 H ASP 68 H ASP 68 8.607 -2.588 8.287 583 HA ASP 68 HA ASP 68 10.529 -0.610 8.912 584 HB2 ASP 68 2HB ASP 68 11.100 -2.882 8.198 585 HB3 ASP 68 3HB ASP 68 10.347 -2.618 6.632 586 H ILE 69 H ILE 69 8.406 -1.104 6.127 587 HA ILE 69 HA ILE 69 9.186 1.255 4.680 588 HB ILE 69 HB ILE 69 6.692 -0.486 4.466 589 HG12 ILE 69 2HG1 ILE 69 9.214 -0.559 2.745 590 HG13 ILE 69 3HG1 ILE 69 8.928 -1.643 4.104 591 HG21 ILE 69 1HG2 ILE 69 7.774 1.577 2.514 592 HG22 ILE 69 2HG2 ILE 69 6.277 1.695 3.443 593 HG23 ILE 69 3HG2 ILE 69 6.441 0.467 2.188 594 HD11 ILE 69 1HD1 ILE 69 7.270 -1.455 1.602 595 HD12 ILE 69 2HD1 ILE 69 6.932 -2.501 2.984 596 HD13 ILE 69 3HD1 ILE 69 8.401 -2.735 2.041 597 H VAL 70 H VAL 70 6.325 0.428 6.661 598 HA VAL 70 HA VAL 70 4.837 2.753 6.312 599 HB VAL 70 HB VAL 70 4.868 0.781 8.641 600 HG11 VAL 70 1HG1 VAL 70 2.825 2.979 8.123 601 HG12 VAL 70 2HG1 VAL 70 3.960 2.910 9.473 602 HG13 VAL 70 3HG1 VAL 70 2.681 1.705 9.339 603 HG21 VAL 70 1HG2 VAL 70 2.932 1.100 6.310 604 HG22 VAL 70 2HG2 VAL 70 2.811 -0.109 7.594 605 HG23 VAL 70 3HG2 VAL 70 4.164 -0.155 6.465 606 H GLU 71 H GLU 71 7.157 1.936 8.931 607 HA GLU 71 HA GLU 71 6.928 4.332 10.375 608 HB2 GLU 71 2HB GLU 71 8.869 3.685 11.613 609 HB3 GLU 71 3HB GLU 71 7.978 2.222 11.239 610 HG2 GLU 71 2HG GLU 71 9.931 1.326 10.553 611 HG3 GLU 71 3HG GLU 71 9.823 2.368 9.144 612 H TYR 72 H TYR 72 8.921 3.509 7.603 613 HA TYR 72 HA TYR 72 10.716 5.686 7.616 614 HB2 TYR 72 2HB TYR 72 10.982 3.579 6.280 615 HB3 TYR 72 3HB TYR 72 9.662 4.086 5.239 616 HD1 TYR 72 HD1 TYR 72 13.153 4.876 6.267 617 HD2 TYR 72 HD2 TYR 72 10.058 5.635 3.415 618 HE1 TYR 72 HE1 TYR 72 14.769 6.015 4.816 619 HE2 TYR 72 HE2 TYR 72 11.678 6.778 1.960 620 HH TYR 72 HH TYR 72 13.845 7.930 2.176 621 H ALA 73 H ALA 73 7.559 5.211 6.059 622 HA ALA 73 HA ALA 73 7.432 7.824 4.870 623 HB1 ALA 73 1HB ALA 73 5.108 7.212 4.328 624 HB2 ALA 73 2HB ALA 73 5.238 5.789 5.368 625 HB3 ALA 73 3HB ALA 73 6.232 5.916 3.916 626 H GLN 74 H GLN 74 6.379 6.443 7.965 627 HA GLN 74 HA GLN 74 4.791 8.595 8.895 628 HB2 GLN 74 2HB GLN 74 6.432 6.573 10.477 629 HB3 GLN 74 3HB GLN 74 5.268 7.677 11.198 630 HG2 GLN 74 2HG GLN 74 4.590 5.535 9.165 631 HG3 GLN 74 3HG GLN 74 4.394 5.366 10.903 632 HE21 GLN 74 1HE2 GLN 74 2.671 6.405 11.916 633 HE22 GLN 74 2HE2 GLN 74 1.370 7.122 11.039 634 H LYS 75 H LYS 75 8.292 8.023 8.964 635 HA LYS 75 HA LYS 75 9.177 10.054 10.684 636 HB2 LYS 75 2HB LYS 75 10.513 8.922 8.184 637 HB3 LYS 75 3HB LYS 75 11.331 9.981 9.331 638 HG2 LYS 75 2HG LYS 75 11.060 8.300 11.105 639 HG3 LYS 75 3HG LYS 75 10.183 7.255 9.992 640 HD2 LYS 75 2HD LYS 75 12.478 6.467 10.204 641 HD3 LYS 75 3HD LYS 75 12.207 7.068 8.569 642 HE2 LYS 75 2HE LYS 75 14.413 7.729 9.503 643 HE3 LYS 75 3HE LYS 75 13.415 9.119 9.079 644 HZ1 LYS 75 1HZ LYS 75 13.685 8.017 11.822 645 HZ2 LYS 75 2HZ LYS 75 12.879 9.434 11.380 646 HZ3 LYS 75 3HZ LYS 75 14.559 9.338 11.232 647 H GLU 76 H GLU 76 8.135 10.196 7.351 648 HA GLU 76 HA GLU 76 9.024 12.966 6.964 649 HB2 GLU 76 2HB GLU 76 7.760 10.976 5.035 650 HB3 GLU 76 3HB GLU 76 8.394 12.560 4.601 651 HG2 GLU 76 2HG GLU 76 10.000 10.222 5.671 652 HG3 GLU 76 3HG GLU 76 9.986 10.807 4.008 653 H GLY 77 H GLY 77 6.334 11.498 8.222 654 HA2 GLY 77 2HA GLY 77 4.259 12.290 8.794 655 HA3 GLY 77 3HA GLY 77 4.689 13.836 8.078 656 H LEU 78 H LEU 78 4.841 10.839 6.293 657 HA LEU 78 HA LEU 78 2.881 11.751 4.346 658 HB2 LEU 78 2HB LEU 78 4.510 9.171 4.437 659 HB3 LEU 78 3HB LEU 78 3.576 9.745 3.064 660 HG LEU 78 HG LEU 78 6.045 11.118 4.201 661 HD11 LEU 78 1HD1 LEU 78 5.766 9.502 1.650 662 HD12 LEU 78 2HD1 LEU 78 6.627 9.009 3.110 663 HD13 LEU 78 3HD1 LEU 78 7.206 10.383 2.173 664 HD21 LEU 78 1HD2 LEU 78 4.539 12.756 3.218 665 HD22 LEU 78 2HD2 LEU 78 4.416 11.805 1.738 666 HD23 LEU 78 3HD2 LEU 78 5.955 12.545 2.187 667 H ARG 79 H ARG 79 0.809 10.992 4.188 668 HA ARG 79 HA ARG 79 -0.316 9.424 6.319 669 HB2 ARG 79 2HB ARG 79 -1.553 11.312 5.320 670 HB3 ARG 79 3HB ARG 79 -1.557 10.507 3.755 671 HG2 ARG 79 2HG ARG 79 -2.945 8.679 4.720 672 HG3 ARG 79 3HG ARG 79 -2.978 9.539 6.262 673 HD2 ARG 79 2HD ARG 79 -5.035 9.888 4.930 674 HD3 ARG 79 3HD ARG 79 -4.177 11.399 5.240 675 HE ARG 79 HE ARG 79 -3.216 10.685 2.818 676 HH11 ARG 79 1HH1 ARG 79 -6.528 10.957 3.991 677 HH12 ARG 79 2HH1 ARG 79 -7.165 11.369 2.432 678 HH21 ARG 79 1HH2 ARG 79 -4.063 11.257 0.801 679 HH22 ARG 79 2HH2 ARG 79 -5.766 11.535 0.626 680 H VAL 80 H VAL 80 -0.059 7.282 6.346 681 HA VAL 80 HA VAL 80 0.394 5.763 3.869 682 HB VAL 80 HB VAL 80 0.814 4.889 6.775 683 HG11 VAL 80 1HG1 VAL 80 2.247 3.123 5.829 684 HG12 VAL 80 2HG1 VAL 80 1.864 3.668 4.192 685 HG13 VAL 80 3HG1 VAL 80 0.596 2.992 5.218 686 HG21 VAL 80 1HG2 VAL 80 3.210 5.357 6.430 687 HG22 VAL 80 2HG2 VAL 80 2.238 6.820 6.260 688 HG23 VAL 80 3HG2 VAL 80 2.860 6.004 4.823 689 H LEU 81 H LEU 81 -1.395 4.893 3.002 690 HA LEU 81 HA LEU 81 -3.604 3.833 4.670 691 HB2 LEU 81 2HB LEU 81 -3.364 4.315 1.655 692 HB3 LEU 81 3HB LEU 81 -4.730 3.504 2.390 693 HG LEU 81 HG LEU 81 -5.335 5.783 1.827 694 HD11 LEU 81 1HD1 LEU 81 -5.114 5.484 4.824 695 HD12 LEU 81 2HD1 LEU 81 -6.398 4.851 3.791 696 HD13 LEU 81 3HD1 LEU 81 -6.189 6.591 3.962 697 HD21 LEU 81 1HD2 LEU 81 -3.127 6.842 1.869 698 HD22 LEU 81 2HD2 LEU 81 -3.098 6.753 3.631 699 HD23 LEU 81 3HD2 LEU 81 -4.295 7.764 2.815 700 H VAL 82 H VAL 82 -3.181 1.709 5.288 701 HA VAL 82 HA VAL 82 -1.452 0.078 3.535 702 HB VAL 82 HB VAL 82 -2.177 -0.533 6.441 703 HG11 VAL 82 1HG1 VAL 82 -1.474 -2.509 5.143 704 HG12 VAL 82 2HG1 VAL 82 -0.240 -2.080 6.325 705 HG13 VAL 82 3HG1 VAL 82 -0.008 -1.673 4.625 706 HG21 VAL 82 1HG2 VAL 82 0.060 0.323 7.042 707 HG22 VAL 82 2HG2 VAL 82 -0.940 1.594 6.334 708 HG23 VAL 82 3HG2 VAL 82 0.325 0.828 5.370 709 H ILE 83 H ILE 83 -2.584 -1.073 2.150 710 HA ILE 83 HA ILE 83 -5.075 -2.474 2.863 711 HB ILE 83 HB ILE 83 -3.603 -2.413 0.167 712 HG12 ILE 83 2HG1 ILE 83 -5.872 -0.622 1.127 713 HG13 ILE 83 3HG1 ILE 83 -4.222 -0.118 0.791 714 HG21 ILE 83 1HG2 ILE 83 -5.736 -3.153 -0.803 715 HG22 ILE 83 2HG2 ILE 83 -6.490 -3.156 0.793 716 HG23 ILE 83 3HG2 ILE 83 -5.192 -4.294 0.430 717 HD11 ILE 83 1HD1 ILE 83 -5.683 0.547 -0.984 718 HD12 ILE 83 2HD1 ILE 83 -6.233 -1.110 -1.220 719 HD13 ILE 83 3HD1 ILE 83 -4.559 -0.675 -1.578 720 H MET 84 H MET 84 -4.542 -4.342 4.017 721 HA MET 84 HA MET 84 -2.403 -6.109 2.948 722 HB2 MET 84 2HB MET 84 -3.728 -5.940 5.687 723 HB3 MET 84 3HB MET 84 -2.711 -7.295 5.216 724 HG2 MET 84 2HG MET 84 -0.764 -5.983 5.188 725 HG3 MET 84 3HG MET 84 -1.662 -4.474 5.047 726 HE1 MET 84 1HE MET 84 -2.947 -3.824 8.646 727 HE2 MET 84 2HE MET 84 -3.838 -4.481 7.273 728 HE3 MET 84 3HE MET 84 -2.705 -3.147 7.036 729 H VAL 85 H VAL 85 -3.139 -7.601 1.635 730 HA VAL 85 HA VAL 85 -5.771 -8.891 2.000 731 HB VAL 85 HB VAL 85 -4.602 -7.978 -0.688 732 HG11 VAL 85 1HG1 VAL 85 -6.677 -8.836 -1.703 733 HG12 VAL 85 2HG1 VAL 85 -7.237 -9.404 -0.130 734 HG13 VAL 85 3HG1 VAL 85 -5.811 -10.130 -0.874 735 HG21 VAL 85 1HG2 VAL 85 -6.514 -6.443 -0.844 736 HG22 VAL 85 2HG2 VAL 85 -5.541 -6.087 0.583 737 HG23 VAL 85 3HG2 VAL 85 -7.071 -6.947 0.755 738 H ASP 86 H ASP 86 -5.695 -11.064 1.739 739 HA ASP 86 HA ASP 86 -4.025 -12.404 -0.110 740 HB2 ASP 86 2HB ASP 86 -2.406 -11.905 1.877 741 HB3 ASP 86 3HB ASP 86 -3.347 -13.073 2.795 742 H GLN 87 H GLN 87 -4.206 -14.991 0.826 743 HA GLN 87 HA GLN 87 -7.095 -15.390 1.253 744 HB2 GLN 87 2HB GLN 87 -4.953 -17.293 0.206 745 HB3 GLN 87 3HB GLN 87 -6.669 -17.670 0.356 746 HG2 GLN 87 2HG GLN 87 -7.203 -15.863 -1.266 747 HG3 GLN 87 3HG GLN 87 -5.481 -15.515 -1.426 748 HE21 GLN 87 1HE2 GLN 87 -5.514 -15.931 -3.661 749 HE22 GLN 87 2HE2 GLN 87 -5.657 -17.531 -4.301 750 H ASP 88 H ASP 88 -4.194 -15.379 2.966 751 HA ASP 88 HA ASP 88 -5.212 -17.212 5.055 752 HB2 ASP 88 2HB ASP 88 -2.405 -16.289 4.355 753 HB3 ASP 88 3HB ASP 88 -2.767 -16.876 5.974 754 H GLN 89 H GLN 89 -6.628 -15.975 6.087 755 HA GLN 89 HA GLN 89 -6.695 -13.319 6.780 756 HB2 GLN 89 2HB GLN 89 -8.608 -14.825 7.023 757 HB3 GLN 89 3HB GLN 89 -7.783 -15.746 8.274 758 HG2 GLN 89 2HG GLN 89 -9.450 -14.385 9.329 759 HG3 GLN 89 3HG GLN 89 -7.879 -13.710 9.750 760 HE21 GLN 89 1HE2 GLN 89 -7.253 -11.711 8.736 761 HE22 GLN 89 2HE2 GLN 89 -8.446 -10.638 8.099 762 H GLU 90 H GLU 90 -4.959 -15.911 8.318 763 HA GLU 90 HA GLU 90 -4.379 -15.006 10.857 764 HB2 GLU 90 2HB GLU 90 -2.574 -16.581 8.979 765 HB3 GLU 90 3HB GLU 90 -2.387 -16.490 10.730 766 HG2 GLU 90 2HG GLU 90 -4.448 -17.674 11.098 767 HG3 GLU 90 3HG GLU 90 -4.872 -17.579 9.388 768 H GLU 91 H GLU 91 -2.421 -14.512 7.914 769 HA GLU 91 HA GLU 91 -0.339 -12.979 9.101 770 HB2 GLU 91 2HB GLU 91 -1.217 -13.139 6.177 771 HB3 GLU 91 3HB GLU 91 0.315 -12.468 6.743 772 HG2 GLU 91 2HG GLU 91 0.968 -14.678 7.622 773 HG3 GLU 91 3HG GLU 91 -0.575 -15.345 7.091 774 H LEU 92 H LEU 92 -3.330 -12.168 7.457 775 HA LEU 92 HA LEU 92 -3.008 -9.405 7.149 776 HB2 LEU 92 2HB LEU 92 -5.430 -11.214 7.297 777 HB3 LEU 92 3HB LEU 92 -5.649 -9.471 7.251 778 HG LEU 92 HG LEU 92 -4.483 -9.356 5.070 779 HD11 LEU 92 1HD1 LEU 92 -2.979 -11.266 5.283 780 HD12 LEU 92 2HD1 LEU 92 -3.927 -11.352 3.802 781 HD13 LEU 92 3HD1 LEU 92 -4.353 -12.369 5.180 782 HD21 LEU 92 1HD2 LEU 92 -6.223 -10.436 3.714 783 HD22 LEU 92 2HD2 LEU 92 -6.900 -9.588 5.103 784 HD23 LEU 92 3HD2 LEU 92 -6.756 -11.349 5.130 785 H GLU 93 H GLU 93 -4.787 -11.153 9.734 786 HA GLU 93 HA GLU 93 -5.497 -8.919 11.293 787 HB2 GLU 93 2HB GLU 93 -5.088 -11.814 12.156 788 HB3 GLU 93 3HB GLU 93 -5.891 -10.583 13.125 789 HG2 GLU 93 2HG GLU 93 -7.690 -10.406 11.493 790 HG3 GLU 93 3HG GLU 93 -6.862 -11.535 10.417 791 H ARG 94 H ARG 94 -2.605 -10.899 11.249 792 HA ARG 94 HA ARG 94 -1.617 -10.196 13.823 793 HB2 ARG 94 2HB ARG 94 -1.051 -12.301 12.632 794 HB3 ARG 94 3HB ARG 94 -0.184 -11.381 11.408 795 HG2 ARG 94 2HG ARG 94 1.327 -12.457 13.032 796 HG3 ARG 94 3HG ARG 94 1.487 -10.701 13.032 797 HD2 ARG 94 2HD ARG 94 0.038 -10.610 15.066 798 HD3 ARG 94 3HD ARG 94 -0.001 -12.378 15.083 799 HE ARG 94 HE ARG 94 2.606 -12.009 15.142 800 HH11 ARG 94 1HH1 ARG 94 0.198 -10.165 16.915 801 HH12 ARG 94 2HH1 ARG 94 1.265 -9.813 18.238 802 HH21 ARG 94 1HH2 ARG 94 3.969 -11.591 16.916 803 HH22 ARG 94 2HH2 ARG 94 3.396 -10.623 18.238 804 H ILE 95 H ILE 95 -0.634 -9.192 10.519 805 HA ILE 95 HA ILE 95 1.217 -7.185 11.340 806 HB ILE 95 HB ILE 95 -0.218 -7.417 8.647 807 HG12 ILE 95 2HG1 ILE 95 2.497 -8.578 9.450 808 HG13 ILE 95 3HG1 ILE 95 1.021 -9.522 9.297 809 HG21 ILE 95 1HG2 ILE 95 2.386 -6.015 9.369 810 HG22 ILE 95 2HG2 ILE 95 0.860 -5.220 8.977 811 HG23 ILE 95 3HG2 ILE 95 1.711 -6.152 7.744 812 HD11 ILE 95 1HD1 ILE 95 2.416 -8.047 7.067 813 HD12 ILE 95 2HD1 ILE 95 0.933 -8.993 6.912 814 HD13 ILE 95 3HD1 ILE 95 2.443 -9.785 7.359 815 H TYR 96 H TYR 96 -2.227 -7.161 10.562 816 HA TYR 96 HA TYR 96 -2.777 -4.407 10.480 817 HB2 TYR 96 2HB TYR 96 -4.391 -6.072 9.760 818 HB3 TYR 96 3HB TYR 96 -4.451 -6.799 11.351 819 HD1 TYR 96 HD1 TYR 96 -5.572 -3.894 9.310 820 HD2 TYR 96 HD2 TYR 96 -5.937 -5.922 13.056 821 HE1 TYR 96 HE1 TYR 96 -7.620 -2.619 9.810 822 HE2 TYR 96 HE2 TYR 96 -7.965 -4.641 13.561 823 HH TYR 96 HH TYR 96 -9.710 -2.998 11.306 824 H GLU 97 H GLU 97 -2.896 -6.680 13.195 825 HA GLU 97 HA GLU 97 -3.756 -4.896 15.214 826 HB2 GLU 97 2HB GLU 97 -3.730 -7.523 15.045 827 HB3 GLU 97 3HB GLU 97 -2.115 -7.411 15.712 828 HG2 GLU 97 2HG GLU 97 -4.548 -6.258 17.102 829 HG3 GLU 97 3HG GLU 97 -4.044 -7.927 17.313 830 H GLN 98 H GLN 98 -0.583 -5.904 14.040 831 HA GLN 98 HA GLN 98 1.116 -4.668 15.902 832 HB2 GLN 98 2HB GLN 98 1.943 -6.325 14.315 833 HB3 GLN 98 3HB GLN 98 1.483 -5.321 12.946 834 HG2 GLN 98 2HG GLN 98 3.896 -5.273 13.255 835 HG3 GLN 98 3HG GLN 98 3.213 -3.675 13.565 836 HE21 GLN 98 1HE2 GLN 98 4.874 -2.976 14.843 837 HE22 GLN 98 2HE2 GLN 98 5.211 -3.612 16.412 838 H LEU 99 H LEU 99 -0.011 -3.418 12.719 839 HA LEU 99 HA LEU 99 1.310 -0.882 12.946 840 HB2 LEU 99 2HB LEU 99 -0.955 -1.689 11.083 841 HB3 LEU 99 3HB LEU 99 0.127 -0.324 10.866 842 HG LEU 99 HG LEU 99 0.973 -3.247 10.744 843 HD11 LEU 99 1HD1 LEU 99 -0.515 -2.624 8.882 844 HD12 LEU 99 2HD1 LEU 99 1.122 -2.958 8.332 845 HD13 LEU 99 3HD1 LEU 99 0.561 -1.287 8.461 846 HD21 LEU 99 1HD2 LEU 99 3.089 -2.398 9.831 847 HD22 LEU 99 2HD2 LEU 99 2.808 -1.817 11.470 848 HD23 LEU 99 3HD2 LEU 99 2.548 -0.739 10.096 849 H LYS 100 H LYS 100 -1.800 -2.070 13.887 850 HA LYS 100 HA LYS 100 -3.385 0.237 14.056 851 HB2 LYS 100 2HB LYS 100 -3.956 -2.313 14.356 852 HB3 LYS 100 3HB LYS 100 -3.535 -2.081 16.040 853 HG2 LYS 100 2HG LYS 100 -5.716 -0.524 14.615 854 HG3 LYS 100 3HG LYS 100 -6.002 -2.030 15.483 855 HD2 LYS 100 2HD LYS 100 -5.217 -0.950 17.582 856 HD3 LYS 100 3HD LYS 100 -4.967 0.560 16.702 857 HE2 LYS 100 2HE LYS 100 -7.615 -0.858 17.149 858 HE3 LYS 100 3HE LYS 100 -7.090 0.646 17.902 859 HZ1 LYS 100 1HZ LYS 100 -7.034 1.641 15.660 860 HZ2 LYS 100 2HZ LYS 100 -8.576 1.132 16.113 861 HZ3 LYS 100 3HZ LYS 100 -7.673 0.212 15.023 862 H LYS 101 H LYS 101 -1.022 -1.157 16.276 863 HA LYS 101 HA LYS 101 -1.431 0.392 18.569 864 HB2 LYS 101 2HB LYS 101 1.188 -0.804 17.574 865 HB3 LYS 101 3HB LYS 101 0.877 -0.252 19.219 866 HG2 LYS 101 2HG LYS 101 -0.836 -2.009 19.500 867 HG3 LYS 101 3HG LYS 101 -0.549 -2.557 17.841 868 HD2 LYS 101 2HD LYS 101 1.838 -3.041 18.462 869 HD3 LYS 101 3HD LYS 101 1.461 -2.590 20.129 870 HE2 LYS 101 2HE LYS 101 1.434 -5.019 19.873 871 HE3 LYS 101 3HE LYS 101 -0.191 -4.432 20.239 872 HZ1 LYS 101 1HZ LYS 101 -0.807 -4.664 17.962 873 HZ2 LYS 101 2HZ LYS 101 -0.104 -6.118 18.457 874 HZ3 LYS 101 3HZ LYS 101 0.776 -5.040 17.500 875 H ASP 102 H ASP 102 0.407 1.120 15.636 876 HA ASP 102 HA ASP 102 1.770 3.438 16.706 877 HB2 ASP 102 2HB ASP 102 2.654 1.996 14.790 878 HB3 ASP 102 3HB ASP 102 1.405 2.688 13.760 879 H GLY 103 H GLY 103 -1.261 2.796 15.108 880 HA2 GLY 103 2HA GLY 103 -3.123 4.198 14.948 881 HA3 GLY 103 3HA GLY 103 -2.122 5.582 15.364 882 H VAL 104 H VAL 104 -1.324 3.268 12.864 883 HA VAL 104 HA VAL 104 -1.435 5.242 10.725 884 HB VAL 104 HB VAL 104 -0.854 2.232 10.592 885 HG11 VAL 104 1HG1 VAL 104 -0.223 4.423 8.578 886 HG12 VAL 104 2HG1 VAL 104 -1.425 3.143 8.390 887 HG13 VAL 104 3HG1 VAL 104 0.290 2.737 8.458 888 HG21 VAL 104 1HG2 VAL 104 1.533 2.820 10.642 889 HG22 VAL 104 2HG2 VAL 104 0.720 3.352 12.113 890 HG23 VAL 104 3HG2 VAL 104 1.125 4.525 10.858 891 H ASP 105 H ASP 105 -2.932 5.090 8.894 892 HA ASP 105 HA ASP 105 -5.524 3.960 9.536 893 HB2 ASP 105 2HB ASP 105 -5.093 6.142 8.234 894 HB3 ASP 105 3HB ASP 105 -4.647 5.135 6.862 895 H VAL 106 H VAL 106 -5.653 1.793 9.449 896 HA VAL 106 HA VAL 106 -4.378 0.286 7.231 897 HB VAL 106 HB VAL 106 -3.846 -1.541 8.834 898 HG11 VAL 106 1HG1 VAL 106 -1.966 -0.452 9.998 899 HG12 VAL 106 2HG1 VAL 106 -2.648 1.134 9.645 900 HG13 VAL 106 3HG1 VAL 106 -2.099 0.093 8.330 901 HG21 VAL 106 1HG2 VAL 106 -5.563 -1.144 10.549 902 HG22 VAL 106 2HG2 VAL 106 -4.780 0.363 11.024 903 HG23 VAL 106 3HG2 VAL 106 -3.959 -1.180 11.284 904 H ARG 107 H ARG 107 -5.360 -1.623 6.586 905 HA ARG 107 HA ARG 107 -7.919 -2.462 7.677 906 HB2 ARG 107 2HB ARG 107 -9.184 -2.155 5.632 907 HB3 ARG 107 3HB ARG 107 -8.516 -0.603 6.123 908 HG2 ARG 107 2HG ARG 107 -6.760 -0.788 4.390 909 HG3 ARG 107 3HG ARG 107 -7.383 -2.372 3.919 910 HD2 ARG 107 2HD ARG 107 -8.790 0.302 3.660 911 HD3 ARG 107 3HD ARG 107 -8.211 -0.734 2.350 912 HE ARG 107 HE ARG 107 -9.943 -2.345 3.633 913 HH11 ARG 107 1HH1 ARG 107 -10.317 0.918 2.397 914 HH12 ARG 107 2HH1 ARG 107 -12.017 0.742 2.116 915 HH21 ARG 107 1HH2 ARG 107 -12.171 -2.520 3.367 916 HH22 ARG 107 2HH2 ARG 107 -13.062 -1.205 2.670 917 H VAL 108 H VAL 108 -8.596 -4.504 6.889 918 HA VAL 108 HA VAL 108 -6.730 -5.994 5.160 919 HB VAL 108 HB VAL 108 -7.046 -8.016 6.676 920 HG11 VAL 108 1HG1 VAL 108 -5.334 -7.329 8.323 921 HG12 VAL 108 2HG1 VAL 108 -5.565 -5.641 7.856 922 HG13 VAL 108 3HG1 VAL 108 -4.942 -6.809 6.687 923 HG21 VAL 108 1HG2 VAL 108 -9.019 -7.246 7.955 924 HG22 VAL 108 2HG2 VAL 108 -8.055 -5.968 8.699 925 HG23 VAL 108 3HG2 VAL 108 -7.685 -7.662 9.033 926 H THR 109 H THR 109 -7.704 -7.278 3.673 927 HA THR 109 HA THR 109 -10.337 -8.419 4.229 928 HB THR 109 HB THR 109 -10.653 -6.250 2.818 929 HG1 THR 109 HG1 THR 109 -11.657 -8.749 1.889 930 HG21 THR 109 1HG2 THR 109 -10.459 -6.512 0.362 931 HG22 THR 109 2HG2 THR 109 -9.617 -8.054 0.594 932 HG23 THR 109 3HG2 THR 109 -8.875 -6.545 1.141 933 H ASP 110 H ASP 110 -10.504 -10.461 3.416 934 HA ASP 110 HA ASP 110 -8.233 -11.555 1.942 935 HB2 ASP 110 2HB ASP 110 -10.713 -12.896 3.098 936 HB3 ASP 110 3HB ASP 110 -9.499 -13.748 2.149 937 H ASN 111 H ASN 111 -8.298 -12.287 -0.043 938 HA ASN 111 HA ASN 111 -9.065 -13.305 -1.954 939 HB2 ASN 111 2HB ASN 111 -11.786 -12.065 -1.362 940 HB3 ASN 111 3HB ASN 111 -11.434 -12.930 -2.852 941 HD21 ASN 111 1HD2 ASN 111 -12.034 -13.220 0.554 942 HD22 ASN 111 2HD2 ASN 111 -12.158 -14.944 0.596 943 H GLU 112 H GLU 112 -9.039 -12.693 -4.073 944 HA GLU 112 HA GLU 112 -7.623 -10.306 -4.610 945 HB2 GLU 112 2HB GLU 112 -7.221 -12.392 -5.813 946 HB3 GLU 112 3HB GLU 112 -8.865 -12.393 -6.437 947 HG2 GLU 112 2HG GLU 112 -8.267 -10.207 -7.630 948 HG3 GLU 112 3HG GLU 112 -6.590 -10.536 -7.200 949 H ASP 113 H ASP 113 -10.878 -11.385 -5.662 950 HA ASP 113 HA ASP 113 -11.508 -9.144 -7.247 951 HB2 ASP 113 2HB ASP 113 -13.291 -11.172 -5.847 952 HB3 ASP 113 3HB ASP 113 -13.958 -9.889 -6.853 953 H GLU 114 H GLU 114 -12.365 -9.920 -3.903 954 HA GLU 114 HA GLU 114 -13.868 -7.704 -3.192 955 HB2 GLU 114 2HB GLU 114 -13.677 -9.763 -1.873 956 HB3 GLU 114 3HB GLU 114 -11.983 -9.429 -1.537 957 HG2 GLU 114 2HG GLU 114 -13.404 -8.983 0.404 958 HG3 GLU 114 3HG GLU 114 -12.600 -7.517 -0.150 959 H ALA 115 H ALA 115 -10.358 -8.185 -3.066 960 HA ALA 115 HA ALA 115 -9.549 -5.789 -1.856 961 HB1 ALA 115 1HB ALA 115 -8.097 -7.740 -2.150 962 HB2 ALA 115 2HB ALA 115 -7.340 -6.282 -2.795 963 HB3 ALA 115 3HB ALA 115 -8.058 -7.471 -3.889 964 H LYS 116 H LYS 116 -10.394 -6.495 -5.208 965 HA LYS 116 HA LYS 116 -9.194 -4.188 -6.391 966 HB2 LYS 116 2HB LYS 116 -11.387 -6.030 -7.442 967 HB3 LYS 116 3HB LYS 116 -10.536 -4.825 -8.409 968 HG2 LYS 116 2HG LYS 116 -8.425 -6.003 -8.147 969 HG3 LYS 116 3HG LYS 116 -9.151 -7.122 -6.991 970 HD2 LYS 116 2HD LYS 116 -8.934 -8.251 -9.123 971 HD3 LYS 116 3HD LYS 116 -10.648 -7.979 -8.806 972 HE2 LYS 116 2HE LYS 116 -10.612 -6.027 -10.330 973 HE3 LYS 116 3HE LYS 116 -8.894 -6.302 -10.640 974 HZ1 LYS 116 1HZ LYS 116 -10.307 -7.223 -12.385 975 HZ2 LYS 116 2HZ LYS 116 -11.061 -8.240 -11.260 976 HZ3 LYS 116 3HZ LYS 116 -9.424 -8.431 -11.601 977 H LYS 117 H LYS 117 -12.398 -4.813 -4.996 978 HA LYS 117 HA LYS 117 -13.568 -2.304 -5.796 979 HB2 LYS 117 2HB LYS 117 -14.316 -4.140 -3.468 980 HB3 LYS 117 3HB LYS 117 -15.223 -2.705 -3.923 981 HG2 LYS 117 2HG LYS 117 -16.478 -4.427 -4.868 982 HG3 LYS 117 3HG LYS 117 -15.514 -3.870 -6.238 983 HD2 LYS 117 2HD LYS 117 -13.948 -5.744 -5.898 984 HD3 LYS 117 3HD LYS 117 -14.878 -6.279 -4.497 985 HE2 LYS 117 2HE LYS 117 -15.430 -7.670 -6.402 986 HE3 LYS 117 3HE LYS 117 -16.833 -6.681 -6.001 987 HZ1 LYS 117 1HZ LYS 117 -14.888 -6.025 -8.141 988 HZ2 LYS 117 2HZ LYS 117 -16.350 -5.246 -7.831 989 HZ3 LYS 117 3HZ LYS 117 -16.346 -6.834 -8.405 990 H ARG 118 H ARG 118 -11.847 -3.524 -2.926 991 HA ARG 118 HA ARG 118 -12.040 -1.124 -1.375 992 HB2 ARG 118 2HB ARG 118 -10.101 -3.450 -1.052 993 HB3 ARG 118 3HB ARG 118 -10.469 -2.234 0.172 994 HG2 ARG 118 2HG ARG 118 -12.317 -4.369 -0.921 995 HG3 ARG 118 3HG ARG 118 -11.695 -4.229 0.723 996 HD2 ARG 118 2HD ARG 118 -13.004 -2.117 0.993 997 HD3 ARG 118 3HD ARG 118 -13.664 -2.341 -0.628 998 HE ARG 118 HE ARG 118 -14.232 -4.666 0.715 999 HH11 ARG 118 1HH1 ARG 118 -15.018 -1.259 1.204 1000 HH12 ARG 118 2HH1 ARG 118 -16.528 -1.613 1.984 1001 HH21 ARG 118 1HH2 ARG 118 -16.224 -5.086 1.671 1002 HH22 ARG 118 2HH2 ARG 118 -17.208 -3.781 2.246 1003 H LEU 119 H LEU 119 -9.813 -2.157 -3.797 1004 HA LEU 119 HA LEU 119 -7.610 -0.439 -3.215 1005 HB2 LEU 119 2HB LEU 119 -7.884 -2.573 -4.835 1006 HB3 LEU 119 3HB LEU 119 -8.306 -1.369 -6.027 1007 HG LEU 119 HG LEU 119 -5.970 -2.017 -6.270 1008 HD11 LEU 119 1HD1 LEU 119 -4.823 0.125 -6.196 1009 HD12 LEU 119 2HD1 LEU 119 -6.090 0.792 -5.163 1010 HD13 LEU 119 3HD1 LEU 119 -6.464 0.302 -6.816 1011 HD21 LEU 119 1HD2 LEU 119 -5.536 -2.774 -3.977 1012 HD22 LEU 119 2HD2 LEU 119 -5.506 -1.101 -3.419 1013 HD23 LEU 119 3HD2 LEU 119 -4.277 -1.679 -4.544 1014 H LYS 120 H LYS 120 -10.237 -0.350 -5.617 1015 HA LYS 120 HA LYS 120 -9.962 2.252 -6.604 1016 HB2 LYS 120 2HB LYS 120 -11.317 0.440 -7.642 1017 HB3 LYS 120 3HB LYS 120 -12.479 0.542 -6.325 1018 HG2 LYS 120 2HG LYS 120 -13.151 2.774 -7.020 1019 HG3 LYS 120 3HG LYS 120 -11.883 2.820 -8.244 1020 HD2 LYS 120 2HD LYS 120 -14.304 0.978 -8.226 1021 HD3 LYS 120 3HD LYS 120 -14.063 2.372 -9.277 1022 HE2 LYS 120 2HE LYS 120 -12.063 1.207 -10.264 1023 HE3 LYS 120 3HE LYS 120 -12.455 -0.210 -9.288 1024 HZ1 LYS 120 1HZ LYS 120 -14.627 -0.282 -10.424 1025 HZ2 LYS 120 2HZ LYS 120 -13.333 -0.476 -11.488 1026 HZ3 LYS 120 3HZ LYS 120 -14.147 1.003 -11.409 1027 H GLU 121 H GLU 121 -11.574 1.028 -3.757 1028 HA GLU 121 HA GLU 121 -13.162 3.261 -3.052 1029 HB2 GLU 121 2HB GLU 121 -13.556 0.941 -2.288 1030 HB3 GLU 121 3HB GLU 121 -12.079 0.985 -1.334 1031 HG2 GLU 121 2HG GLU 121 -13.033 2.650 0.146 1032 HG3 GLU 121 3HG GLU 121 -14.463 2.801 -0.872 1033 H LEU 122 H LEU 122 -9.852 2.256 -2.035 1034 HA LEU 122 HA LEU 122 -9.549 4.512 -0.261 1035 HB2 LEU 122 2HB LEU 122 -7.491 2.534 -1.289 1036 HB3 LEU 122 3HB LEU 122 -7.085 3.871 -0.227 1037 HG LEU 122 HG LEU 122 -8.623 1.349 0.412 1038 HD11 LEU 122 1HD1 LEU 122 -6.436 2.843 1.898 1039 HD12 LEU 122 2HD1 LEU 122 -6.191 1.475 0.815 1040 HD13 LEU 122 3HD1 LEU 122 -7.096 1.257 2.307 1041 HD21 LEU 122 1HD2 LEU 122 -9.394 2.277 2.542 1042 HD22 LEU 122 2HD2 LEU 122 -10.127 3.134 1.189 1043 HD23 LEU 122 3HD2 LEU 122 -8.800 3.876 2.089 1044 H LEU 123 H LEU 123 -8.963 4.032 -3.699 1045 HA LEU 123 HA LEU 123 -7.293 6.295 -4.066 1046 HB2 LEU 123 2HB LEU 123 -8.985 4.678 -5.928 1047 HB3 LEU 123 3HB LEU 123 -8.605 6.304 -6.458 1048 HG LEU 123 HG LEU 123 -6.963 4.933 -7.463 1049 HD11 LEU 123 1HD1 LEU 123 -4.825 5.655 -6.541 1050 HD12 LEU 123 2HD1 LEU 123 -5.598 6.108 -5.022 1051 HD13 LEU 123 3HD1 LEU 123 -5.998 6.971 -6.510 1052 HD21 LEU 123 1HD2 LEU 123 -6.426 3.589 -4.804 1053 HD22 LEU 123 2HD2 LEU 123 -5.576 3.281 -6.322 1054 HD23 LEU 123 3HD2 LEU 123 -7.288 2.892 -6.178 1055 H GLU 124 H GLU 124 -10.714 6.107 -3.362 1056 HA GLU 124 HA GLU 124 -11.331 8.829 -4.023 1057 HB2 GLU 124 2HB GLU 124 -12.630 7.044 -1.917 1058 HB3 GLU 124 3HB GLU 124 -13.289 8.558 -2.532 1059 HG2 GLU 124 2HG GLU 124 -13.483 7.554 -4.788 1060 HG3 GLU 124 3HG GLU 124 -12.848 6.031 -4.160 1061 H LYS 125 H LYS 125 -10.032 7.193 -1.154 1062 HA LYS 125 HA LYS 125 -9.894 9.556 0.498 1063 HB2 LYS 125 2HB LYS 125 -8.629 6.797 0.788 1064 HB3 LYS 125 3HB LYS 125 -8.442 8.079 1.984 1065 HG2 LYS 125 2HG LYS 125 -10.907 8.123 2.318 1066 HG3 LYS 125 3HG LYS 125 -11.078 6.819 1.140 1067 HD2 LYS 125 2HD LYS 125 -11.185 5.905 3.416 1068 HD3 LYS 125 3HD LYS 125 -9.733 5.329 2.603 1069 HE2 LYS 125 2HE LYS 125 -8.381 6.997 3.813 1070 HE3 LYS 125 3HE LYS 125 -9.833 7.605 4.609 1071 HZ1 LYS 125 1HZ LYS 125 -8.634 6.115 6.056 1072 HZ2 LYS 125 2HZ LYS 125 -8.685 4.877 4.914 1073 HZ3 LYS 125 3HZ LYS 125 -10.112 5.417 5.640 1074 H VAL 126 H VAL 126 -7.852 8.255 -1.999 1075 HA VAL 126 HA VAL 126 -5.579 9.961 -1.355 1076 HB VAL 126 HB VAL 126 -6.260 8.514 -3.974 1077 HG11 VAL 126 1HG1 VAL 126 -3.874 8.775 -4.546 1078 HG12 VAL 126 2HG1 VAL 126 -3.610 9.714 -3.075 1079 HG13 VAL 126 3HG1 VAL 126 -4.658 10.345 -4.350 1080 HG21 VAL 126 1HG2 VAL 126 -4.448 7.611 -1.699 1081 HG22 VAL 126 2HG2 VAL 126 -4.653 6.778 -3.243 1082 HG23 VAL 126 3HG2 VAL 126 -6.012 6.916 -2.128 1083 H LEU 127 H LEU 127 -8.352 9.982 -3.573 1084 HA LEU 127 HA LEU 127 -7.569 12.469 -4.867 1085 HB2 LEU 127 2HB LEU 127 -9.853 10.527 -5.351 1086 HB3 LEU 127 3HB LEU 127 -9.613 11.988 -6.299 1087 HG LEU 127 HG LEU 127 -7.599 9.710 -6.098 1088 HD11 LEU 127 1HD1 LEU 127 -8.219 9.117 -8.380 1089 HD12 LEU 127 2HD1 LEU 127 -9.452 10.379 -8.406 1090 HD13 LEU 127 3HD1 LEU 127 -9.617 9.005 -7.311 1091 HD21 LEU 127 1HD2 LEU 127 -6.487 11.836 -6.486 1092 HD22 LEU 127 2HD2 LEU 127 -7.578 12.210 -7.822 1093 HD23 LEU 127 3HD2 LEU 127 -6.443 10.865 -7.958 1094 H GLU 128 H GLU 128 -9.277 11.852 -2.064 1095 HA GLU 128 HA GLU 128 -10.999 14.153 -2.105 1096 HB2 GLU 128 2HB GLU 128 -10.930 13.967 0.387 1097 HB3 GLU 128 3HB GLU 128 -11.314 12.438 -0.386 1098 HG2 GLU 128 2HG GLU 128 -9.091 11.605 -0.007 1099 HG3 GLU 128 3HG GLU 128 -8.539 13.172 0.560 1100 H HIS 129 H HIS 129 -7.589 13.571 -1.554 1101 HA HIS 129 HA HIS 129 -7.031 16.448 -1.148 1102 HB2 HIS 129 2HB HIS 129 -5.380 13.948 -0.573 1103 HB3 HIS 129 3HB HIS 129 -4.643 15.547 -0.622 1104 HD1 HIS 129 HD1 HIS 129 -4.988 17.065 1.373 1105 HD2 HIS 129 HD2 HIS 129 -7.169 13.550 1.630 1106 HE1 HIS 129 HE1 HIS 129 -5.942 17.036 3.689 1107 HE2 HIS 129 HE2 HIS 129 -7.421 15.008 3.740 1108 H HIS 130 H HIS 130 -7.922 15.652 -3.657 1109 HA HIS 130 HA HIS 130 -5.719 15.386 -5.496 1110 HB2 HIS 130 2HB HIS 130 -8.137 14.672 -5.968 1111 HB3 HIS 130 3HB HIS 130 -8.546 16.376 -6.112 1112 HD1 HIS 130 HD1 HIS 130 -8.427 13.890 -8.328 1113 HD2 HIS 130 HD2 HIS 130 -6.081 17.312 -8.124 1114 HE1 HIS 130 HE1 HIS 130 -7.587 14.276 -10.662 1115 HE2 HIS 130 HE2 HIS 130 -6.321 16.439 -10.529 1116 H HIS 131 H HIS 131 -4.259 17.026 -5.064 1117 HA HIS 131 HA HIS 131 -4.948 19.762 -4.637 1118 HB2 HIS 131 2HB HIS 131 -2.849 18.844 -3.762 1119 HB3 HIS 131 3HB HIS 131 -2.277 18.499 -5.390 1120 HD1 HIS 131 HD1 HIS 131 -3.617 21.688 -3.730 1121 HD2 HIS 131 HD2 HIS 131 -0.421 20.379 -6.049 1122 HE1 HIS 131 HE1 HIS 131 -2.216 23.725 -4.169 1123 HE2 HIS 131 HE2 HIS 131 -0.212 22.875 -5.424 1124 H HIS 132 H HIS 132 -5.289 21.337 -6.044 1125 HA HIS 132 HA HIS 132 -5.257 20.937 -8.899 1126 HB2 HIS 132 2HB HIS 132 -5.965 23.321 -7.134 1127 HB3 HIS 132 3HB HIS 132 -5.968 23.420 -8.894 1128 HD1 HIS 132 HD1 HIS 132 -8.268 23.195 -9.778 1129 HD2 HIS 132 HD2 HIS 132 -7.734 20.870 -6.374 1130 HE1 HIS 132 HE1 HIS 132 -10.470 22.044 -9.395 1131 HE2 HIS 132 HE2 HIS 132 -10.121 20.658 -7.324 1132 H HIS 133 H HIS 133 -3.398 21.008 -9.980 1133 HA HIS 133 HA HIS 133 -1.438 23.148 -9.493 1134 HB2 HIS 133 2HB HIS 133 0.466 21.557 -9.615 1135 HB3 HIS 133 3HB HIS 133 -0.557 21.222 -8.227 1136 HD1 HIS 133 HD1 HIS 133 -1.996 19.016 -8.327 1137 HD2 HIS 133 HD2 HIS 133 0.697 19.457 -11.462 1138 HE1 HIS 133 HE1 HIS 133 -1.838 16.753 -9.398 1139 HE2 HIS 133 HE2 HIS 133 -0.379 17.111 -11.417 1140 H HIS 134 H HIS 134 -0.589 23.960 -11.332 1141 HA HIS 134 HA HIS 134 -1.654 23.112 -13.894 1142 HB2 HIS 134 2HB HIS 134 -1.532 25.514 -13.334 1143 HB3 HIS 134 3HB HIS 134 0.216 25.414 -13.145 1144 HD1 HIS 134 HD1 HIS 134 1.629 25.168 -15.331 1145 HD2 HIS 134 HD2 HIS 134 -2.430 25.761 -15.984 1146 HE1 HIS 134 HE1 HIS 134 1.421 25.786 -17.753 1147 HE2 HIS 134 HE2 HIS 134 -1.026 26.239 -18.095 Start of MODEL 15 1 H1 MET 1 1H MET 1 0.513 16.639 -3.307 2 H2 MET 1 2H MET 1 0.740 15.122 -4.012 3 H3 MET 1 3H MET 1 1.989 15.836 -3.124 4 HA MET 1 HA MET 1 0.782 15.654 -1.110 5 HB2 MET 1 2HB MET 1 -1.428 14.463 -2.850 6 HB3 MET 1 3HB MET 1 -1.462 14.507 -1.090 7 HG2 MET 1 2HG MET 1 -1.568 16.927 -1.091 8 HG3 MET 1 3HG MET 1 -1.318 16.978 -2.838 9 HE1 MET 1 1HE MET 1 -5.053 18.189 -2.413 10 HE2 MET 1 2HE MET 1 -3.464 18.607 -3.055 11 HE3 MET 1 3HE MET 1 -3.717 18.521 -1.312 12 H GLY 2 H GLY 2 2.479 14.347 -0.581 13 HA2 GLY 2 2HA GLY 2 3.150 11.868 -1.828 14 HA3 GLY 2 3HA GLY 2 3.820 12.510 -0.338 15 H THR 3 H THR 3 1.341 10.514 -1.719 16 HA THR 3 HA THR 3 0.352 9.654 0.945 17 HB THR 3 HB THR 3 -0.990 9.357 -1.785 18 HG1 THR 3 HG1 THR 3 -1.034 11.508 -1.407 19 HG21 THR 3 1HG2 THR 3 -2.153 9.046 1.001 20 HG22 THR 3 2HG2 THR 3 -1.784 7.721 -0.106 21 HG23 THR 3 3HG2 THR 3 -3.038 8.895 -0.516 22 H VAL 4 H VAL 4 1.312 7.748 1.548 23 HA VAL 4 HA VAL 4 2.487 5.981 -0.518 24 HB VAL 4 HB VAL 4 3.055 6.108 2.494 25 HG11 VAL 4 1HG1 VAL 4 3.479 3.856 1.596 26 HG12 VAL 4 2HG1 VAL 4 4.994 4.655 2.019 27 HG13 VAL 4 3HG1 VAL 4 4.503 4.537 0.328 28 HG21 VAL 4 1HG2 VAL 4 3.831 8.137 1.339 29 HG22 VAL 4 2HG2 VAL 4 4.713 7.158 0.166 30 HG23 VAL 4 3HG2 VAL 4 5.205 7.159 1.861 31 H VAL 5 H VAL 5 1.008 4.522 -1.121 32 HA VAL 5 HA VAL 5 -0.733 3.167 0.835 33 HB VAL 5 HB VAL 5 -0.834 3.136 -2.231 34 HG11 VAL 5 1HG1 VAL 5 -3.061 2.102 -1.982 35 HG12 VAL 5 2HG1 VAL 5 -2.847 2.042 -0.231 36 HG13 VAL 5 3HG1 VAL 5 -1.798 1.087 -1.281 37 HG21 VAL 5 1HG2 VAL 5 -2.582 4.683 -0.275 38 HG22 VAL 5 2HG2 VAL 5 -2.795 4.624 -2.027 39 HG23 VAL 5 3HG2 VAL 5 -1.353 5.373 -1.340 40 H ILE 6 H ILE 6 0.148 1.336 1.659 41 HA ILE 6 HA ILE 6 2.106 -0.235 0.092 42 HB ILE 6 HB ILE 6 1.491 -0.237 3.090 43 HG12 ILE 6 2HG1 ILE 6 2.693 1.793 2.424 44 HG13 ILE 6 3HG1 ILE 6 3.787 0.746 3.320 45 HG21 ILE 6 1HG2 ILE 6 3.606 -1.846 1.604 46 HG22 ILE 6 2HG2 ILE 6 2.176 -2.487 2.417 47 HG23 ILE 6 3HG2 ILE 6 3.454 -1.723 3.359 48 HD11 ILE 6 1HD1 ILE 6 3.713 1.100 0.324 49 HD12 ILE 6 2HD1 ILE 6 4.806 0.019 1.196 50 HD13 ILE 6 3HD1 ILE 6 4.906 1.763 1.438 51 H VAL 7 H VAL 7 1.184 -1.841 -1.006 52 HA VAL 7 HA VAL 7 -1.116 -3.333 0.115 53 HB VAL 7 HB VAL 7 -0.313 -3.070 -2.831 54 HG11 VAL 7 1HG1 VAL 7 -2.773 -4.313 -1.546 55 HG12 VAL 7 2HG1 VAL 7 -1.456 -5.183 -2.339 56 HG13 VAL 7 3HG1 VAL 7 -2.504 -4.121 -3.280 57 HG21 VAL 7 1HG2 VAL 7 -2.292 -1.614 -3.086 58 HG22 VAL 7 2HG2 VAL 7 -1.125 -0.910 -1.965 59 HG23 VAL 7 3HG2 VAL 7 -2.585 -1.688 -1.347 60 H VAL 8 H VAL 8 -0.619 -5.315 0.768 61 HA VAL 8 HA VAL 8 1.830 -6.678 -0.188 62 HB VAL 8 HB VAL 8 0.417 -6.827 2.519 63 HG11 VAL 8 1HG1 VAL 8 2.833 -8.386 1.568 64 HG12 VAL 8 2HG1 VAL 8 1.248 -9.045 1.974 65 HG13 VAL 8 3HG1 VAL 8 2.259 -8.337 3.236 66 HG21 VAL 8 1HG2 VAL 8 3.157 -5.728 1.799 67 HG22 VAL 8 2HG2 VAL 8 2.497 -5.839 3.432 68 HG23 VAL 8 3HG2 VAL 8 1.739 -4.776 2.244 69 H SER 9 H SER 9 1.148 -8.162 -1.699 70 HA SER 9 HA SER 9 -0.651 -10.290 -0.760 71 HB2 SER 9 2HB SER 9 -0.925 -9.034 -3.535 72 HB3 SER 9 3HB SER 9 -1.855 -10.400 -2.922 73 HG SER 9 HG SER 9 -2.466 -8.796 -1.193 74 H ARG 10 H ARG 10 0.191 -12.259 -1.167 75 HA ARG 10 HA ARG 10 2.772 -12.635 -2.279 76 HB2 ARG 10 2HB ARG 10 1.933 -14.188 -0.597 77 HB3 ARG 10 3HB ARG 10 0.545 -14.605 -1.595 78 HG2 ARG 10 2HG ARG 10 2.156 -16.430 -1.618 79 HG3 ARG 10 3HG ARG 10 2.048 -15.711 -3.223 80 HD2 ARG 10 2HD ARG 10 4.137 -14.374 -2.658 81 HD3 ARG 10 3HD ARG 10 4.275 -15.344 -1.191 82 HE ARG 10 HE ARG 10 4.994 -17.130 -2.444 83 HH11 ARG 10 1HH1 ARG 10 3.800 -14.659 -4.665 84 HH12 ARG 10 2HH1 ARG 10 4.430 -15.455 -6.071 85 HH21 ARG 10 1HH2 ARG 10 5.798 -18.146 -4.319 86 HH22 ARG 10 2HH2 ARG 10 5.551 -17.410 -5.870 87 H ASP 11 H ASP 11 -0.493 -13.206 -3.539 88 HA ASP 11 HA ASP 11 0.307 -14.421 -6.001 89 HB2 ASP 11 2HB ASP 11 -2.339 -13.113 -5.249 90 HB3 ASP 11 3HB ASP 11 -2.077 -14.173 -6.631 91 H GLU 12 H GLU 12 1.132 -13.411 -7.693 92 HA GLU 12 HA GLU 12 1.260 -10.591 -8.083 93 HB2 GLU 12 2HB GLU 12 1.729 -12.740 -10.206 94 HB3 GLU 12 3HB GLU 12 2.261 -11.065 -10.275 95 HG2 GLU 12 2HG GLU 12 4.221 -12.198 -9.720 96 HG3 GLU 12 3HG GLU 12 3.655 -11.635 -8.148 97 H ARG 13 H ARG 13 -0.909 -13.123 -9.121 98 HA ARG 13 HA ARG 13 -2.371 -11.857 -11.139 99 HB2 ARG 13 2HB ARG 13 -3.231 -13.952 -9.104 100 HB3 ARG 13 3HB ARG 13 -4.230 -13.459 -10.469 101 HG2 ARG 13 2HG ARG 13 -2.558 -14.288 -12.045 102 HG3 ARG 13 3HG ARG 13 -1.468 -14.707 -10.720 103 HD2 ARG 13 2HD ARG 13 -3.143 -16.334 -9.875 104 HD3 ARG 13 3HD ARG 13 -4.215 -15.923 -11.219 105 HE ARG 13 HE ARG 13 -1.794 -16.705 -12.337 106 HH11 ARG 13 1HH1 ARG 13 -4.299 -18.211 -10.359 107 HH12 ARG 13 2HH1 ARG 13 -4.004 -19.801 -10.988 108 HH21 ARG 13 1HH2 ARG 13 -1.426 -18.798 -13.149 109 HH22 ARG 13 2HH2 ARG 13 -2.375 -20.131 -12.567 110 H ILE 14 H ILE 14 -2.636 -11.564 -7.622 111 HA ILE 14 HA ILE 14 -5.037 -9.956 -7.680 112 HB ILE 14 HB ILE 14 -3.030 -10.315 -5.390 113 HG12 ILE 14 2HG1 ILE 14 -5.680 -11.749 -5.920 114 HG13 ILE 14 3HG1 ILE 14 -4.082 -12.468 -6.062 115 HG21 ILE 14 1HG2 ILE 14 -5.867 -9.214 -5.330 116 HG22 ILE 14 2HG2 ILE 14 -4.390 -8.271 -5.123 117 HG23 ILE 14 3HG2 ILE 14 -4.839 -9.480 -3.920 118 HD11 ILE 14 1HD1 ILE 14 -5.141 -13.165 -4.023 119 HD12 ILE 14 2HD1 ILE 14 -5.368 -11.494 -3.512 120 HD13 ILE 14 3HD1 ILE 14 -3.739 -12.165 -3.649 121 H LEU 15 H LEU 15 -1.527 -9.337 -7.257 122 HA LEU 15 HA LEU 15 -1.586 -6.588 -6.765 123 HB2 LEU 15 2HB LEU 15 0.588 -8.177 -8.186 124 HB3 LEU 15 3HB LEU 15 0.801 -6.561 -7.536 125 HG LEU 15 HG LEU 15 0.236 -9.062 -5.885 126 HD11 LEU 15 1HD1 LEU 15 2.810 -7.468 -6.169 127 HD12 LEU 15 2HD1 LEU 15 2.497 -9.070 -6.839 128 HD13 LEU 15 3HD1 LEU 15 2.548 -8.845 -5.093 129 HD21 LEU 15 1HD2 LEU 15 0.673 -7.642 -3.915 130 HD22 LEU 15 2HD2 LEU 15 -0.743 -7.101 -4.811 131 HD23 LEU 15 3HD2 LEU 15 0.778 -6.220 -4.954 132 H GLU 16 H GLU 16 -1.693 -8.274 -9.872 133 HA GLU 16 HA GLU 16 -1.243 -5.938 -11.506 134 HB2 GLU 16 2HB GLU 16 -1.759 -7.404 -13.422 135 HB3 GLU 16 3HB GLU 16 -0.591 -8.150 -12.337 136 HG2 GLU 16 2HG GLU 16 -2.383 -9.555 -11.368 137 HG3 GLU 16 3HG GLU 16 -3.550 -8.806 -12.456 138 H GLU 17 H GLU 17 -4.087 -7.625 -10.279 139 HA GLU 17 HA GLU 17 -6.032 -6.206 -11.830 140 HB2 GLU 17 2HB GLU 17 -6.231 -7.744 -9.211 141 HB3 GLU 17 3HB GLU 17 -7.629 -7.035 -10.014 142 HG2 GLU 17 2HG GLU 17 -5.806 -9.157 -11.168 143 HG3 GLU 17 3HG GLU 17 -7.422 -9.420 -10.510 144 H LEU 18 H LEU 18 -4.603 -5.776 -8.639 145 HA LEU 18 HA LEU 18 -6.091 -3.492 -7.830 146 HB2 LEU 18 2HB LEU 18 -3.353 -4.456 -6.909 147 HB3 LEU 18 3HB LEU 18 -4.366 -3.299 -6.058 148 HG LEU 18 HG LEU 18 -4.970 -6.247 -6.493 149 HD11 LEU 18 1HD1 LEU 18 -3.276 -5.860 -4.783 150 HD12 LEU 18 2HD1 LEU 18 -4.773 -6.453 -4.070 151 HD13 LEU 18 3HD1 LEU 18 -4.353 -4.741 -3.941 152 HD21 LEU 18 1HD2 LEU 18 -6.971 -5.926 -5.148 153 HD22 LEU 18 2HD2 LEU 18 -7.038 -4.965 -6.620 154 HD23 LEU 18 3HD2 LEU 18 -6.671 -4.188 -5.076 155 H LEU 19 H LEU 19 -3.145 -3.982 -9.647 156 HA LEU 19 HA LEU 19 -2.071 -1.411 -9.783 157 HB2 LEU 19 2HB LEU 19 -0.914 -3.434 -10.627 158 HB3 LEU 19 3HB LEU 19 -2.117 -3.606 -11.891 159 HG LEU 19 HG LEU 19 -1.333 -1.428 -12.885 160 HD11 LEU 19 1HD1 LEU 19 0.837 -0.503 -12.185 161 HD12 LEU 19 2HD1 LEU 19 0.861 -1.603 -10.805 162 HD13 LEU 19 3HD1 LEU 19 -0.390 -0.362 -10.927 163 HD21 LEU 19 1HD2 LEU 19 0.796 -3.574 -12.630 164 HD22 LEU 19 2HD2 LEU 19 0.722 -2.325 -13.876 165 HD23 LEU 19 3HD2 LEU 19 -0.537 -3.555 -13.788 166 H GLU 20 H GLU 20 -4.437 -3.034 -11.921 167 HA GLU 20 HA GLU 20 -4.924 -0.931 -13.695 168 HB2 GLU 20 2HB GLU 20 -6.837 -3.139 -12.826 169 HB3 GLU 20 3HB GLU 20 -7.072 -2.102 -14.229 170 HG2 GLU 20 2HG GLU 20 -4.860 -4.131 -13.819 171 HG3 GLU 20 3HG GLU 20 -6.212 -4.243 -14.946 172 H VAL 21 H VAL 21 -6.451 -1.690 -10.600 173 HA VAL 21 HA VAL 21 -8.619 0.098 -10.703 174 HB VAL 21 HB VAL 21 -7.139 -0.911 -8.227 175 HG11 VAL 21 1HG1 VAL 21 -8.566 1.015 -7.680 176 HG12 VAL 21 2HG1 VAL 21 -9.239 -0.465 -7.002 177 HG13 VAL 21 3HG1 VAL 21 -9.950 0.239 -8.458 178 HG21 VAL 21 1HG2 VAL 21 -9.580 -2.069 -9.624 179 HG22 VAL 21 2HG2 VAL 21 -8.864 -2.665 -8.124 180 HG23 VAL 21 3HG2 VAL 21 -7.957 -2.756 -9.631 181 H VAL 22 H VAL 22 -5.266 0.570 -9.563 182 HA VAL 22 HA VAL 22 -5.510 3.215 -8.571 183 HB VAL 22 HB VAL 22 -3.020 2.093 -9.962 184 HG11 VAL 22 1HG1 VAL 22 -2.924 4.517 -9.591 185 HG12 VAL 22 2HG1 VAL 22 -1.792 3.702 -8.512 186 HG13 VAL 22 3HG1 VAL 22 -3.329 4.302 -7.886 187 HG21 VAL 22 1HG2 VAL 22 -3.774 1.838 -7.029 188 HG22 VAL 22 2HG2 VAL 22 -2.239 1.338 -7.749 189 HG23 VAL 22 3HG2 VAL 22 -3.738 0.527 -8.210 190 H LEU 23 H LEU 23 -4.870 1.910 -11.799 191 HA LEU 23 HA LEU 23 -4.192 4.408 -13.028 192 HB2 LEU 23 2HB LEU 23 -4.948 1.800 -14.399 193 HB3 LEU 23 3HB LEU 23 -4.044 3.133 -15.106 194 HG LEU 23 HG LEU 23 -3.101 1.258 -12.911 195 HD11 LEU 23 1HD1 LEU 23 -3.045 0.222 -15.098 196 HD12 LEU 23 2HD1 LEU 23 -1.410 0.520 -14.515 197 HD13 LEU 23 3HD1 LEU 23 -2.110 1.572 -15.749 198 HD21 LEU 23 1HD2 LEU 23 -2.225 3.460 -12.409 199 HD22 LEU 23 2HD2 LEU 23 -1.616 3.633 -14.057 200 HD23 LEU 23 3HD2 LEU 23 -0.931 2.408 -12.986 201 H LYS 24 H LYS 24 -7.222 2.713 -12.533 202 HA LYS 24 HA LYS 24 -8.734 4.048 -14.593 203 HB2 LYS 24 2HB LYS 24 -9.838 2.799 -12.031 204 HB3 LYS 24 3HB LYS 24 -10.738 3.154 -13.499 205 HG2 LYS 24 2HG LYS 24 -8.631 1.028 -13.109 206 HG3 LYS 24 3HG LYS 24 -10.358 0.778 -13.345 207 HD2 LYS 24 2HD LYS 24 -10.172 1.650 -15.655 208 HD3 LYS 24 3HD LYS 24 -8.445 1.945 -15.411 209 HE2 LYS 24 2HE LYS 24 -8.076 -0.475 -15.080 210 HE3 LYS 24 3HE LYS 24 -9.803 -0.774 -15.315 211 HZ1 LYS 24 1HZ LYS 24 -7.926 0.348 -17.335 212 HZ2 LYS 24 2HZ LYS 24 -9.590 0.144 -17.566 213 HZ3 LYS 24 3HZ LYS 24 -8.600 -1.203 -17.342 214 H SER 25 H SER 25 -8.303 4.479 -11.107 215 HA SER 25 HA SER 25 -10.092 6.694 -10.814 216 HB2 SER 25 2HB SER 25 -9.016 6.780 -8.486 217 HB3 SER 25 3HB SER 25 -9.753 5.237 -8.917 218 HG SER 25 HG SER 25 -7.866 4.336 -8.737 219 H ASP 26 H ASP 26 -6.521 6.403 -10.659 220 HA ASP 26 HA ASP 26 -6.154 8.925 -12.019 221 HB2 ASP 26 2HB ASP 26 -6.499 9.656 -9.644 222 HB3 ASP 26 3HB ASP 26 -5.114 8.676 -9.161 223 HA PRO 27 HA PRO 27 -2.647 6.113 -13.049 224 HB2 PRO 27 2HB PRO 27 -2.184 7.093 -15.565 225 HB3 PRO 27 3HB PRO 27 -3.521 5.978 -15.215 226 HG2 PRO 27 2HG PRO 27 -3.603 8.966 -15.498 227 HG3 PRO 27 3HG PRO 27 -4.703 7.742 -16.173 228 HD2 PRO 27 2HD PRO 27 -5.298 9.158 -13.916 229 HD3 PRO 27 3HD PRO 27 -5.875 7.496 -14.184 230 H ASN 28 H ASN 28 -2.839 9.421 -12.401 231 HA ASN 28 HA ASN 28 -0.080 10.137 -12.928 232 HB2 ASN 28 2HB ASN 28 -2.264 11.581 -11.364 233 HB3 ASN 28 3HB ASN 28 -0.669 12.252 -11.691 234 HD21 ASN 28 1HD2 ASN 28 -3.739 11.378 -13.079 235 HD22 ASN 28 2HD2 ASN 28 -3.522 12.199 -14.581 236 H VAL 29 H VAL 29 -1.836 8.667 -10.312 237 HA VAL 29 HA VAL 29 0.143 8.891 -8.277 238 HB VAL 29 HB VAL 29 -1.854 6.617 -8.786 239 HG11 VAL 29 1HG1 VAL 29 -1.502 5.987 -6.413 240 HG12 VAL 29 2HG1 VAL 29 -0.239 7.211 -6.278 241 HG13 VAL 29 3HG1 VAL 29 -0.018 5.834 -7.357 242 HG21 VAL 29 1HG2 VAL 29 -2.999 8.750 -8.400 243 HG22 VAL 29 2HG2 VAL 29 -2.077 9.007 -6.918 244 HG23 VAL 29 3HG2 VAL 29 -3.230 7.675 -7.020 245 H LYS 30 H LYS 30 2.176 8.099 -8.346 246 HA LYS 30 HA LYS 30 3.215 6.398 -10.371 247 HB2 LYS 30 2HB LYS 30 4.695 7.929 -9.174 248 HB3 LYS 30 3HB LYS 30 4.321 7.173 -7.631 249 HG2 LYS 30 2HG LYS 30 6.553 6.527 -8.389 250 HG3 LYS 30 3HG LYS 30 5.490 5.119 -8.339 251 HD2 LYS 30 2HD LYS 30 5.153 5.422 -10.850 252 HD3 LYS 30 3HD LYS 30 6.418 6.653 -10.798 253 HE2 LYS 30 2HE LYS 30 8.031 4.985 -9.996 254 HE3 LYS 30 3HE LYS 30 6.760 3.763 -9.950 255 HZ1 LYS 30 1HZ LYS 30 8.036 3.468 -11.932 256 HZ2 LYS 30 2HZ LYS 30 7.857 5.088 -12.377 257 HZ3 LYS 30 3HZ LYS 30 6.516 4.057 -12.386 258 H THR 31 H THR 31 3.368 4.190 -10.466 259 HA THR 31 HA THR 31 2.585 2.579 -8.090 260 HB THR 31 HB THR 31 1.739 0.868 -9.754 261 HG1 THR 31 HG1 THR 31 2.926 1.824 -11.566 262 HG21 THR 31 1HG2 THR 31 0.131 2.359 -8.625 263 HG22 THR 31 2HG2 THR 31 -0.386 1.998 -10.273 264 HG23 THR 31 3HG2 THR 31 0.342 3.563 -9.902 265 H VAL 32 H VAL 32 3.952 1.021 -7.515 266 HA VAL 32 HA VAL 32 6.057 0.047 -9.351 267 HB VAL 32 HB VAL 32 6.550 0.752 -6.399 268 HG11 VAL 32 1HG1 VAL 32 7.832 -1.221 -7.114 269 HG12 VAL 32 2HG1 VAL 32 8.908 0.150 -6.843 270 HG13 VAL 32 3HG1 VAL 32 8.484 -0.325 -8.489 271 HG21 VAL 32 1HG2 VAL 32 6.425 2.794 -7.755 272 HG22 VAL 32 2HG2 VAL 32 7.617 2.143 -8.881 273 HG23 VAL 32 3HG2 VAL 32 8.082 2.506 -7.219 274 H ARG 33 H ARG 33 5.961 -2.133 -9.420 275 HA ARG 33 HA ARG 33 4.887 -3.657 -7.115 276 HB2 ARG 33 2HB ARG 33 3.708 -4.101 -9.242 277 HB3 ARG 33 3HB ARG 33 5.239 -4.469 -10.032 278 HG2 ARG 33 2HG ARG 33 5.534 -6.408 -8.462 279 HG3 ARG 33 3HG ARG 33 3.924 -6.072 -7.811 280 HD2 ARG 33 2HD ARG 33 3.928 -7.878 -9.525 281 HD3 ARG 33 3HD ARG 33 2.904 -6.509 -9.976 282 HE ARG 33 HE ARG 33 5.669 -6.745 -11.010 283 HH11 ARG 33 1HH1 ARG 33 2.205 -6.617 -11.704 284 HH12 ARG 33 2HH1 ARG 33 2.437 -6.427 -13.412 285 HH21 ARG 33 1HH2 ARG 33 5.946 -6.457 -13.229 286 HH22 ARG 33 2HH2 ARG 33 4.569 -6.339 -14.275 287 H THR 34 H THR 34 6.619 -3.933 -5.826 288 HA THR 34 HA THR 34 9.142 -5.006 -6.955 289 HB THR 34 HB THR 34 9.483 -2.687 -6.193 290 HG1 THR 34 HG1 THR 34 11.339 -3.627 -5.784 291 HG21 THR 34 1HG2 THR 34 9.283 -2.053 -3.829 292 HG22 THR 34 2HG2 THR 34 8.616 -3.639 -3.443 293 HG23 THR 34 3HG2 THR 34 7.712 -2.532 -4.479 294 H ASP 35 H ASP 35 10.435 -6.110 -5.206 295 HA ASP 35 HA ASP 35 8.754 -7.892 -3.535 296 HB2 ASP 35 2HB ASP 35 9.807 -8.955 -5.574 297 HB3 ASP 35 3HB ASP 35 11.394 -8.515 -4.960 298 H ASP 36 H ASP 36 11.323 -5.616 -3.666 299 HA ASP 36 HA ASP 36 12.688 -6.561 -1.222 300 HB2 ASP 36 2HB ASP 36 13.542 -4.272 -3.056 301 HB3 ASP 36 3HB ASP 36 14.526 -5.148 -1.887 302 H LYS 37 H LYS 37 12.649 -5.313 0.687 303 HA LYS 37 HA LYS 37 10.767 -3.132 0.938 304 HB2 LYS 37 2HB LYS 37 11.390 -3.072 3.302 305 HB3 LYS 37 3HB LYS 37 11.112 -4.728 2.788 306 HG2 LYS 37 2HG LYS 37 13.523 -5.162 2.733 307 HG3 LYS 37 3HG LYS 37 13.854 -3.476 3.144 308 HD2 LYS 37 2HD LYS 37 12.745 -3.765 5.325 309 HD3 LYS 37 3HD LYS 37 12.355 -5.443 4.926 310 HE2 LYS 37 2HE LYS 37 15.142 -4.277 5.248 311 HE3 LYS 37 3HE LYS 37 14.320 -5.322 6.402 312 HZ1 LYS 37 1HZ LYS 37 15.894 -6.574 5.099 313 HZ2 LYS 37 2HZ LYS 37 15.152 -6.077 3.653 314 HZ3 LYS 37 3HZ LYS 37 14.326 -7.082 4.712 315 H GLU 38 H GLU 38 14.139 -3.431 0.371 316 HA GLU 38 HA GLU 38 15.073 -0.867 1.175 317 HB2 GLU 38 2HB GLU 38 16.281 -2.762 -0.912 318 HB3 GLU 38 3HB GLU 38 17.101 -1.404 -0.151 319 HG2 GLU 38 2HG GLU 38 17.948 -3.317 0.932 320 HG3 GLU 38 3HG GLU 38 16.806 -2.617 2.074 321 H LYS 39 H LYS 39 13.908 -2.304 -1.798 322 HA LYS 39 HA LYS 39 14.471 -0.218 -3.592 323 HB2 LYS 39 2HB LYS 39 13.850 -2.701 -4.091 324 HB3 LYS 39 3HB LYS 39 12.175 -2.192 -3.919 325 HG2 LYS 39 2HG LYS 39 12.617 -2.135 -6.252 326 HG3 LYS 39 3HG LYS 39 12.659 -0.445 -5.737 327 HD2 LYS 39 2HD LYS 39 15.205 -0.698 -5.545 328 HD3 LYS 39 3HD LYS 39 15.022 -2.260 -6.354 329 HE2 LYS 39 2HE LYS 39 15.612 -0.612 -8.014 330 HE3 LYS 39 3HE LYS 39 13.918 -1.042 -8.274 331 HZ1 LYS 39 1HZ LYS 39 14.874 1.368 -6.802 332 HZ2 LYS 39 2HZ LYS 39 13.256 0.974 -7.108 333 HZ3 LYS 39 3HZ LYS 39 14.290 1.355 -8.387 334 H VAL 40 H VAL 40 11.647 -0.953 -1.583 335 HA VAL 40 HA VAL 40 9.746 0.790 -2.649 336 HB VAL 40 HB VAL 40 10.031 0.032 0.301 337 HG11 VAL 40 1HG1 VAL 40 7.599 0.945 -1.282 338 HG12 VAL 40 2HG1 VAL 40 8.443 1.864 -0.034 339 HG13 VAL 40 3HG1 VAL 40 7.574 0.390 0.391 340 HG21 VAL 40 1HG2 VAL 40 10.000 -1.994 -1.095 341 HG22 VAL 40 2HG2 VAL 40 8.517 -1.451 -1.883 342 HG23 VAL 40 3HG2 VAL 40 8.509 -1.850 -0.163 343 H LYS 41 H LYS 41 12.240 1.351 -0.189 344 HA LYS 41 HA LYS 41 11.378 3.923 0.665 345 HB2 LYS 41 2HB LYS 41 14.127 2.627 0.833 346 HB3 LYS 41 3HB LYS 41 13.640 4.085 1.705 347 HG2 LYS 41 2HG LYS 41 11.936 2.836 2.931 348 HG3 LYS 41 3HG LYS 41 12.323 1.367 2.022 349 HD2 LYS 41 2HD LYS 41 14.601 1.365 2.975 350 HD3 LYS 41 3HD LYS 41 14.244 2.855 3.858 351 HE2 LYS 41 2HE LYS 41 12.552 1.702 5.188 352 HE3 LYS 41 3HE LYS 41 12.788 0.220 4.248 353 HZ1 LYS 41 1HZ LYS 41 15.050 0.094 5.054 354 HZ2 LYS 41 2HZ LYS 41 13.977 0.157 6.352 355 HZ3 LYS 41 3HZ LYS 41 14.863 1.531 5.924 356 H GLU 42 H GLU 42 13.599 2.856 -1.845 357 HA GLU 42 HA GLU 42 14.591 5.339 -2.749 358 HB2 GLU 42 2HB GLU 42 13.927 2.858 -4.400 359 HB3 GLU 42 3HB GLU 42 14.986 4.168 -4.911 360 HG2 GLU 42 2HG GLU 42 16.642 3.567 -3.254 361 HG3 GLU 42 3HG GLU 42 15.535 2.412 -2.506 362 H GLU 43 H GLU 43 11.725 3.455 -3.658 363 HA GLU 43 HA GLU 43 10.732 5.240 -5.624 364 HB2 GLU 43 2HB GLU 43 9.125 3.189 -4.050 365 HB3 GLU 43 3HB GLU 43 8.736 3.848 -5.634 366 HG2 GLU 43 2HG GLU 43 10.922 1.899 -4.907 367 HG3 GLU 43 3HG GLU 43 9.565 1.658 -5.999 368 H ILE 44 H ILE 44 10.153 5.007 -2.142 369 HA ILE 44 HA ILE 44 7.953 6.771 -1.924 370 HB ILE 44 HB ILE 44 10.121 6.025 0.101 371 HG12 ILE 44 2HG1 ILE 44 7.183 5.175 -0.083 372 HG13 ILE 44 3HG1 ILE 44 8.562 4.186 -0.541 373 HG21 ILE 44 1HG2 ILE 44 7.627 7.677 0.657 374 HG22 ILE 44 2HG2 ILE 44 9.290 8.263 0.700 375 HG23 ILE 44 3HG2 ILE 44 8.748 7.068 1.878 376 HD11 ILE 44 1HD1 ILE 44 7.900 5.134 2.244 377 HD12 ILE 44 2HD1 ILE 44 9.324 4.191 1.793 378 HD13 ILE 44 3HD1 ILE 44 7.712 3.502 1.601 379 H GLU 45 H GLU 45 11.471 7.252 -1.838 380 HA GLU 45 HA GLU 45 11.492 10.060 -1.486 381 HB2 GLU 45 2HB GLU 45 13.516 8.056 -2.522 382 HB3 GLU 45 3HB GLU 45 13.861 9.775 -2.640 383 HG2 GLU 45 2HG GLU 45 13.198 8.357 -0.044 384 HG3 GLU 45 3HG GLU 45 14.833 8.676 -0.620 385 H LYS 46 H LYS 46 11.318 8.059 -4.417 386 HA LYS 46 HA LYS 46 11.772 10.129 -6.317 387 HB2 LYS 46 2HB LYS 46 10.317 7.473 -6.651 388 HB3 LYS 46 3HB LYS 46 10.794 8.525 -7.981 389 HG2 LYS 46 2HG LYS 46 13.179 8.210 -7.388 390 HG3 LYS 46 3HG LYS 46 12.700 7.183 -6.036 391 HD2 LYS 46 2HD LYS 46 13.408 5.779 -7.892 392 HD3 LYS 46 3HD LYS 46 11.672 5.575 -7.644 393 HE2 LYS 46 2HE LYS 46 12.183 5.717 -10.021 394 HE3 LYS 46 3HE LYS 46 11.249 7.134 -9.536 395 HZ1 LYS 46 1HZ LYS 46 14.184 7.010 -9.965 396 HZ2 LYS 46 2HZ LYS 46 13.355 8.370 -9.405 397 HZ3 LYS 46 3HZ LYS 46 13.056 7.782 -10.957 398 H ALA 47 H ALA 47 8.787 8.726 -4.969 399 HA ALA 47 HA ALA 47 6.991 10.359 -6.496 400 HB1 ALA 47 1HB ALA 47 6.488 8.765 -3.957 401 HB2 ALA 47 2HB ALA 47 6.306 8.173 -5.608 402 HB3 ALA 47 3HB ALA 47 5.245 9.450 -5.018 403 H ARG 48 H ARG 48 8.419 10.548 -3.269 404 HA ARG 48 HA ARG 48 6.919 12.699 -2.211 405 HB2 ARG 48 2HB ARG 48 8.215 11.221 -0.760 406 HB3 ARG 48 3HB ARG 48 9.720 11.688 -1.539 407 HG2 ARG 48 2HG ARG 48 9.336 14.037 -0.656 408 HG3 ARG 48 3HG ARG 48 7.971 13.399 0.259 409 HD2 ARG 48 2HD ARG 48 9.390 12.061 1.644 410 HD3 ARG 48 3HD ARG 48 10.771 12.259 0.553 411 HE ARG 48 HE ARG 48 9.628 14.577 1.968 412 HH11 ARG 48 1HH1 ARG 48 12.414 12.500 1.389 413 HH12 ARG 48 2HH1 ARG 48 13.517 13.550 2.216 414 HH21 ARG 48 1HH2 ARG 48 11.086 15.957 3.007 415 HH22 ARG 48 2HH2 ARG 48 12.759 15.514 3.132 416 H LYS 49 H LYS 49 10.020 12.624 -3.969 417 HA LYS 49 HA LYS 49 10.625 15.391 -3.613 418 HB2 LYS 49 2HB LYS 49 12.509 15.055 -5.048 419 HB3 LYS 49 3HB LYS 49 12.337 13.606 -4.073 420 HG2 LYS 49 2HG LYS 49 11.236 12.493 -6.039 421 HG3 LYS 49 3HG LYS 49 11.599 13.925 -6.998 422 HD2 LYS 49 2HD LYS 49 13.656 12.117 -5.663 423 HD3 LYS 49 3HD LYS 49 13.224 12.095 -7.369 424 HE2 LYS 49 2HE LYS 49 15.273 13.282 -7.236 425 HE3 LYS 49 3HE LYS 49 14.041 14.512 -7.489 426 HZ1 LYS 49 1HZ LYS 49 14.202 15.187 -5.238 427 HZ2 LYS 49 2HZ LYS 49 15.797 15.011 -5.773 428 HZ3 LYS 49 3HZ LYS 49 15.101 13.823 -4.800 429 H GLN 50 H GLN 50 8.702 13.676 -5.909 430 HA GLN 50 HA GLN 50 8.399 15.986 -7.707 431 HB2 GLN 50 2HB GLN 50 7.300 13.139 -7.906 432 HB3 GLN 50 3HB GLN 50 7.123 14.396 -9.132 433 HG2 GLN 50 2HG GLN 50 9.540 14.460 -9.486 434 HG3 GLN 50 3HG GLN 50 9.786 13.295 -8.189 435 HE21 GLN 50 1HE2 GLN 50 8.659 13.731 -11.464 436 HE22 GLN 50 2HE2 GLN 50 8.666 12.057 -11.898 437 H GLY 51 H GLY 51 6.929 14.628 -4.950 438 HA2 GLY 51 2HA GLY 51 5.212 15.397 -3.658 439 HA3 GLY 51 3HA GLY 51 4.940 16.679 -4.824 440 H ARG 52 H ARG 52 4.872 13.249 -5.567 441 HA ARG 52 HA ARG 52 1.959 13.382 -6.102 442 HB2 ARG 52 2HB ARG 52 2.349 11.713 -7.918 443 HB3 ARG 52 3HB ARG 52 3.174 13.239 -8.206 444 HG2 ARG 52 2HG ARG 52 5.310 12.245 -7.483 445 HG3 ARG 52 3HG ARG 52 4.498 10.713 -7.157 446 HD2 ARG 52 2HD ARG 52 3.944 10.469 -9.541 447 HD3 ARG 52 3HD ARG 52 4.666 12.044 -9.890 448 HE ARG 52 HE ARG 52 6.757 10.800 -8.818 449 HH11 ARG 52 1HH1 ARG 52 4.509 9.635 -11.281 450 HH12 ARG 52 2HH1 ARG 52 5.684 8.608 -12.037 451 HH21 ARG 52 1HH2 ARG 52 8.272 9.431 -9.814 452 HH22 ARG 52 2HH2 ARG 52 7.815 8.496 -11.206 453 HA PRO 53 HA PRO 53 1.435 9.783 -3.383 454 HB2 PRO 53 2HB PRO 53 -0.685 8.845 -5.297 455 HB3 PRO 53 3HB PRO 53 -0.819 9.248 -3.571 456 HG2 PRO 53 2HG PRO 53 -1.843 10.867 -5.430 457 HG3 PRO 53 3HG PRO 53 -1.071 11.526 -3.968 458 HD2 PRO 53 2HD PRO 53 0.063 11.283 -6.755 459 HD3 PRO 53 3HD PRO 53 0.154 12.644 -5.611 460 H ILE 54 H ILE 54 1.421 7.383 -3.480 461 HA ILE 54 HA ILE 54 2.333 6.097 -5.899 462 HB ILE 54 HB ILE 54 4.420 7.062 -4.994 463 HG12 ILE 54 2HG1 ILE 54 4.481 4.036 -4.667 464 HG13 ILE 54 3HG1 ILE 54 4.366 4.838 -6.230 465 HG21 ILE 54 1HG2 ILE 54 3.886 7.117 -2.596 466 HG22 ILE 54 2HG2 ILE 54 5.424 6.300 -2.881 467 HG23 ILE 54 3HG2 ILE 54 3.977 5.354 -2.526 468 HD11 ILE 54 1HD1 ILE 54 6.650 5.097 -4.277 469 HD12 ILE 54 2HD1 ILE 54 6.520 5.925 -5.833 470 HD13 ILE 54 3HD1 ILE 54 6.630 4.168 -5.776 471 H VAL 55 H VAL 55 1.742 4.006 -5.956 472 HA VAL 55 HA VAL 55 0.811 2.667 -3.487 473 HB VAL 55 HB VAL 55 -0.126 2.103 -6.352 474 HG11 VAL 55 1HG1 VAL 55 -1.807 0.636 -5.287 475 HG12 VAL 55 2HG1 VAL 55 -1.101 0.963 -3.703 476 HG13 VAL 55 3HG1 VAL 55 -0.166 0.098 -4.925 477 HG21 VAL 55 1HG2 VAL 55 -2.287 3.082 -5.690 478 HG22 VAL 55 2HG2 VAL 55 -0.990 4.270 -5.551 479 HG23 VAL 55 3HG2 VAL 55 -1.631 3.494 -4.103 480 H ILE 56 H ILE 56 2.260 1.256 -2.867 481 HA ILE 56 HA ILE 56 4.155 -0.014 -4.718 482 HB ILE 56 HB ILE 56 4.140 0.086 -1.656 483 HG12 ILE 56 2HG1 ILE 56 4.584 2.324 -2.785 484 HG13 ILE 56 3HG1 ILE 56 5.899 1.748 -1.770 485 HG21 ILE 56 1HG2 ILE 56 6.444 -0.805 -1.798 486 HG22 ILE 56 2HG2 ILE 56 6.286 -0.957 -3.549 487 HG23 ILE 56 3HG2 ILE 56 5.269 -1.928 -2.483 488 HD11 ILE 56 1HD1 ILE 56 5.797 1.586 -4.778 489 HD12 ILE 56 2HD1 ILE 56 7.128 1.029 -3.758 490 HD13 ILE 56 3HD1 ILE 56 6.716 2.741 -3.817 491 H PHE 57 H PHE 57 3.913 -2.115 -5.179 492 HA PHE 57 HA PHE 57 2.031 -3.829 -3.695 493 HB2 PHE 57 2HB PHE 57 3.121 -4.093 -6.544 494 HB3 PHE 57 3HB PHE 57 1.959 -5.175 -5.791 495 HD1 PHE 57 HD1 PHE 57 -0.324 -4.212 -5.096 496 HD2 PHE 57 HD2 PHE 57 2.362 -2.128 -7.701 497 HE1 PHE 57 HE1 PHE 57 -2.170 -2.807 -5.891 498 HE2 PHE 57 HE2 PHE 57 0.497 -0.726 -8.488 499 HZ PHE 57 HZ PHE 57 -1.768 -1.062 -7.579 500 H ILE 58 H ILE 58 3.281 -4.752 -2.153 501 HA ILE 58 HA ILE 58 5.936 -5.851 -2.799 502 HB ILE 58 HB ILE 58 4.640 -5.741 -0.025 503 HG12 ILE 58 2HG1 ILE 58 6.604 -3.704 -1.179 504 HG13 ILE 58 3HG1 ILE 58 4.876 -3.427 -1.008 505 HG21 ILE 58 1HG2 ILE 58 7.551 -6.081 -0.883 506 HG22 ILE 58 2HG2 ILE 58 6.497 -7.359 -0.271 507 HG23 ILE 58 3HG2 ILE 58 6.969 -6.026 0.783 508 HD11 ILE 58 1HD1 ILE 58 6.799 -3.929 1.260 509 HD12 ILE 58 2HD1 ILE 58 5.063 -3.625 1.408 510 HD13 ILE 58 3HD1 ILE 58 6.128 -2.376 0.769 511 H ARG 59 H ARG 59 6.045 -7.953 -3.264 512 HA ARG 59 HA ARG 59 3.814 -9.748 -2.892 513 HB2 ARG 59 2HB ARG 59 5.141 -9.917 -4.923 514 HB3 ARG 59 3HB ARG 59 6.622 -10.181 -4.002 515 HG2 ARG 59 2HG ARG 59 5.764 -12.329 -3.193 516 HG3 ARG 59 3HG ARG 59 4.239 -12.065 -4.042 517 HD2 ARG 59 2HD ARG 59 5.721 -13.599 -5.254 518 HD3 ARG 59 3HD ARG 59 5.392 -12.136 -6.187 519 HE ARG 59 HE ARG 59 7.790 -11.879 -4.679 520 HH11 ARG 59 1HH1 ARG 59 6.503 -13.410 -7.580 521 HH12 ARG 59 2HH1 ARG 59 8.041 -13.455 -8.385 522 HH21 ARG 59 1HH2 ARG 59 9.783 -11.908 -5.729 523 HH22 ARG 59 2HH2 ARG 59 9.927 -12.590 -7.319 524 H GLY 60 H GLY 60 3.423 -10.571 -0.941 525 HA2 GLY 60 2HA GLY 60 3.632 -11.741 1.014 526 HA3 GLY 60 3HA GLY 60 4.991 -12.533 0.240 527 H ALA 61 H ALA 61 4.223 -9.433 1.804 528 HA ALA 61 HA ALA 61 6.918 -9.058 2.785 529 HB1 ALA 61 1HB ALA 61 6.070 -6.948 3.701 530 HB2 ALA 61 2HB ALA 61 4.420 -7.413 3.280 531 HB3 ALA 61 3HB ALA 61 5.606 -7.132 2.009 532 H THR 62 H THR 62 7.638 -9.802 4.675 533 HA THR 62 HA THR 62 5.913 -10.865 6.740 534 HB THR 62 HB THR 62 8.098 -11.925 6.339 535 HG1 THR 62 HG1 THR 62 7.363 -12.163 8.434 536 HG21 THR 62 1HG2 THR 62 10.220 -10.831 6.989 537 HG22 THR 62 2HG2 THR 62 9.353 -9.327 7.296 538 HG23 THR 62 3HG2 THR 62 9.439 -9.975 5.656 539 H GLU 63 H GLU 63 6.390 -10.063 9.093 540 HA GLU 63 HA GLU 63 5.073 -7.671 9.416 541 HB2 GLU 63 2HB GLU 63 5.223 -9.391 11.167 542 HB3 GLU 63 3HB GLU 63 6.933 -9.041 11.398 543 HG2 GLU 63 2HG GLU 63 6.385 -6.790 12.228 544 HG3 GLU 63 3HG GLU 63 4.669 -7.080 11.941 545 H GLU 64 H GLU 64 8.576 -8.219 9.808 546 HA GLU 64 HA GLU 64 9.290 -5.649 10.655 547 HB2 GLU 64 2HB GLU 64 11.605 -6.261 10.182 548 HB3 GLU 64 3HB GLU 64 10.762 -7.620 10.918 549 HG2 GLU 64 2HG GLU 64 10.469 -8.575 8.590 550 HG3 GLU 64 3HG GLU 64 11.527 -7.295 8.006 551 H VAL 65 H VAL 65 8.915 -6.950 7.390 552 HA VAL 65 HA VAL 65 10.061 -4.781 5.954 553 HB VAL 65 HB VAL 65 8.041 -6.930 5.138 554 HG11 VAL 65 1HG1 VAL 65 7.661 -5.022 3.655 555 HG12 VAL 65 2HG1 VAL 65 8.477 -6.309 2.768 556 HG13 VAL 65 3HG1 VAL 65 9.387 -4.901 3.318 557 HG21 VAL 65 1HG2 VAL 65 9.961 -7.942 3.966 558 HG22 VAL 65 2HG2 VAL 65 10.310 -7.739 5.684 559 HG23 VAL 65 3HG2 VAL 65 11.000 -6.620 4.509 560 H VAL 66 H VAL 66 6.655 -5.630 6.680 561 HA VAL 66 HA VAL 66 5.392 -3.521 5.355 562 HB VAL 66 HB VAL 66 4.357 -4.893 7.891 563 HG11 VAL 66 1HG1 VAL 66 2.097 -4.308 7.028 564 HG12 VAL 66 2HG1 VAL 66 2.841 -3.441 5.682 565 HG13 VAL 66 3HG1 VAL 66 3.078 -2.871 7.334 566 HG21 VAL 66 1HG2 VAL 66 3.958 -5.743 4.994 567 HG22 VAL 66 2HG2 VAL 66 3.200 -6.493 6.402 568 HG23 VAL 66 3HG2 VAL 66 4.950 -6.576 6.191 569 H ARG 67 H ARG 67 6.025 -3.802 8.866 570 HA ARG 67 HA ARG 67 5.015 -1.254 9.523 571 HB2 ARG 67 2HB ARG 67 5.862 -1.688 11.796 572 HB3 ARG 67 3HB ARG 67 5.031 -3.078 11.126 573 HG2 ARG 67 2HG ARG 67 6.829 -4.121 12.133 574 HG3 ARG 67 3HG ARG 67 7.468 -3.893 10.511 575 HD2 ARG 67 2HD ARG 67 8.725 -1.898 11.291 576 HD3 ARG 67 3HD ARG 67 8.073 -2.121 12.916 577 HE ARG 67 HE ARG 67 9.263 -4.502 12.416 578 HH11 ARG 67 1HH1 ARG 67 10.451 -1.177 12.230 579 HH12 ARG 67 2HH1 ARG 67 12.087 -1.624 12.605 580 HH21 ARG 67 1HH2 ARG 67 11.402 -5.049 12.909 581 HH22 ARG 67 2HH2 ARG 67 12.621 -3.814 12.987 582 H ASP 68 H ASP 68 8.228 -2.217 8.562 583 HA ASP 68 HA ASP 68 9.627 0.036 9.697 584 HB2 ASP 68 2HB ASP 68 10.757 -2.102 9.392 585 HB3 ASP 68 3HB ASP 68 10.452 -2.065 7.660 586 H ILE 69 H ILE 69 8.455 -0.857 6.471 587 HA ILE 69 HA ILE 69 9.298 1.499 5.091 588 HB ILE 69 HB ILE 69 7.054 -0.488 4.504 589 HG12 ILE 69 2HG1 ILE 69 9.817 -0.256 3.213 590 HG13 ILE 69 3HG1 ILE 69 9.439 -1.368 4.527 591 HG21 ILE 69 1HG2 ILE 69 7.034 0.412 2.196 592 HG22 ILE 69 2HG2 ILE 69 8.173 1.669 2.682 593 HG23 ILE 69 3HG2 ILE 69 6.553 1.633 3.380 594 HD11 ILE 69 1HD1 ILE 69 7.796 -2.479 3.116 595 HD12 ILE 69 2HD1 ILE 69 9.409 -2.500 2.415 596 HD13 ILE 69 3HD1 ILE 69 8.196 -1.388 1.786 597 H VAL 70 H VAL 70 6.309 0.557 6.742 598 HA VAL 70 HA VAL 70 4.704 2.790 6.208 599 HB VAL 70 HB VAL 70 4.691 0.823 8.544 600 HG11 VAL 70 1HG1 VAL 70 2.576 2.900 7.889 601 HG12 VAL 70 2HG1 VAL 70 3.621 2.892 9.310 602 HG13 VAL 70 3HG1 VAL 70 2.421 1.618 9.094 603 HG21 VAL 70 1HG2 VAL 70 2.868 1.037 6.111 604 HG22 VAL 70 2HG2 VAL 70 2.769 -0.195 7.374 605 HG23 VAL 70 3HG2 VAL 70 4.175 -0.131 6.310 606 H GLU 71 H GLU 71 6.866 2.154 9.027 607 HA GLU 71 HA GLU 71 6.331 4.645 10.317 608 HB2 GLU 71 2HB GLU 71 8.034 4.081 11.911 609 HB3 GLU 71 3HB GLU 71 7.193 2.591 11.502 610 HG2 GLU 71 2HG GLU 71 9.076 2.023 9.943 611 HG3 GLU 71 3HG GLU 71 9.926 3.455 10.514 612 H TYR 72 H TYR 72 8.685 3.626 7.923 613 HA TYR 72 HA TYR 72 10.476 5.813 8.000 614 HB2 TYR 72 2HB TYR 72 11.063 3.763 6.819 615 HB3 TYR 72 3HB TYR 72 9.696 3.928 5.731 616 HD1 TYR 72 HD1 TYR 72 12.981 5.502 6.651 617 HD2 TYR 72 HD2 TYR 72 9.950 5.097 3.668 618 HE1 TYR 72 HE1 TYR 72 14.424 6.657 5.026 619 HE2 TYR 72 HE2 TYR 72 11.383 6.248 2.046 620 HH TYR 72 HH TYR 72 14.675 6.828 2.552 621 H ALA 73 H ALA 73 7.478 5.276 6.166 622 HA ALA 73 HA ALA 73 7.441 7.812 4.844 623 HB1 ALA 73 1HB ALA 73 5.167 5.887 5.422 624 HB2 ALA 73 2HB ALA 73 6.188 5.884 3.985 625 HB3 ALA 73 3HB ALA 73 5.106 7.244 4.289 626 H GLN 74 H GLN 74 6.138 6.607 7.927 627 HA GLN 74 HA GLN 74 4.613 8.902 8.650 628 HB2 GLN 74 2HB GLN 74 5.835 6.722 10.398 629 HB3 GLN 74 3HB GLN 74 4.715 7.946 10.988 630 HG2 GLN 74 2HG GLN 74 2.981 7.084 9.431 631 HG3 GLN 74 3HG GLN 74 4.098 5.835 8.898 632 HE21 GLN 74 1HE2 GLN 74 2.037 6.910 11.503 633 HE22 GLN 74 2HE2 GLN 74 2.072 5.436 12.405 634 H LYS 75 H LYS 75 8.037 8.217 8.834 635 HA LYS 75 HA LYS 75 8.867 10.204 10.679 636 HB2 LYS 75 2HB LYS 75 10.332 9.030 8.280 637 HB3 LYS 75 3HB LYS 75 11.087 10.109 9.449 638 HG2 LYS 75 2HG LYS 75 10.640 8.436 11.244 639 HG3 LYS 75 3HG LYS 75 9.949 7.360 10.028 640 HD2 LYS 75 2HD LYS 75 12.270 6.723 10.528 641 HD3 LYS 75 3HD LYS 75 12.113 7.259 8.854 642 HE2 LYS 75 2HE LYS 75 14.169 8.120 9.958 643 HE3 LYS 75 3HE LYS 75 13.108 9.419 9.413 644 HZ1 LYS 75 1HZ LYS 75 14.021 9.782 11.651 645 HZ2 LYS 75 2HZ LYS 75 13.236 8.392 12.198 646 HZ3 LYS 75 3HZ LYS 75 12.332 9.711 11.663 647 H GLU 76 H GLU 76 8.209 10.289 7.223 648 HA GLU 76 HA GLU 76 8.884 13.124 6.972 649 HB2 GLU 76 2HB GLU 76 7.854 11.149 4.892 650 HB3 GLU 76 3HB GLU 76 8.445 12.775 4.567 651 HG2 GLU 76 2HG GLU 76 10.041 10.382 5.507 652 HG3 GLU 76 3HG GLU 76 10.184 11.246 3.976 653 H GLY 77 H GLY 77 6.278 11.538 8.151 654 HA2 GLY 77 2HA GLY 77 4.151 12.221 8.680 655 HA3 GLY 77 3HA GLY 77 4.506 13.766 7.927 656 H LEU 78 H LEU 78 5.021 11.047 5.925 657 HA LEU 78 HA LEU 78 2.894 11.764 4.113 658 HB2 LEU 78 2HB LEU 78 4.797 9.376 3.995 659 HB3 LEU 78 3HB LEU 78 3.805 9.977 2.674 660 HG LEU 78 HG LEU 78 6.193 11.386 3.925 661 HD11 LEU 78 1HD1 LEU 78 7.273 11.077 1.746 662 HD12 LEU 78 2HD1 LEU 78 5.870 10.177 1.163 663 HD13 LEU 78 3HD1 LEU 78 6.846 9.536 2.486 664 HD21 LEU 78 1HD2 LEU 78 5.921 13.116 2.191 665 HD22 LEU 78 2HD2 LEU 78 4.560 13.069 3.305 666 HD23 LEU 78 3HD2 LEU 78 4.397 12.374 1.690 667 H ARG 79 H ARG 79 0.864 11.023 4.308 668 HA ARG 79 HA ARG 79 -0.038 9.264 6.286 669 HB2 ARG 79 2HB ARG 79 -1.471 11.010 5.346 670 HB3 ARG 79 3HB ARG 79 -1.404 10.257 3.756 671 HG2 ARG 79 2HG ARG 79 -2.671 8.330 4.578 672 HG3 ARG 79 3HG ARG 79 -2.680 9.003 6.210 673 HD2 ARG 79 2HD ARG 79 -4.821 9.365 5.065 674 HD3 ARG 79 3HD ARG 79 -4.038 10.897 5.447 675 HE ARG 79 HE ARG 79 -3.288 10.846 3.014 676 HH11 ARG 79 1HH1 ARG 79 -6.320 9.377 4.047 677 HH12 ARG 79 2HH1 ARG 79 -7.088 9.600 2.511 678 HH21 ARG 79 1HH2 ARG 79 -4.330 11.179 1.017 679 HH22 ARG 79 2HH2 ARG 79 -5.958 10.621 0.790 680 H VAL 80 H VAL 80 0.005 7.094 6.381 681 HA VAL 80 HA VAL 80 0.582 5.538 3.949 682 HB VAL 80 HB VAL 80 0.762 4.468 6.799 683 HG11 VAL 80 1HG1 VAL 80 2.071 3.580 4.197 684 HG12 VAL 80 2HG1 VAL 80 0.707 2.792 4.996 685 HG13 VAL 80 3HG1 VAL 80 2.289 2.816 5.776 686 HG21 VAL 80 1HG2 VAL 80 2.998 5.816 5.238 687 HG22 VAL 80 2HG2 VAL 80 3.182 4.968 6.777 688 HG23 VAL 80 3HG2 VAL 80 2.218 6.444 6.693 689 H LEU 81 H LEU 81 -0.924 4.283 3.077 690 HA LEU 81 HA LEU 81 -3.324 3.426 4.607 691 HB2 LEU 81 2HB LEU 81 -3.066 3.979 1.601 692 HB3 LEU 81 3HB LEU 81 -4.497 3.377 2.403 693 HG LEU 81 HG LEU 81 -4.858 5.679 1.822 694 HD11 LEU 81 1HD1 LEU 81 -4.413 5.528 4.800 695 HD12 LEU 81 2HD1 LEU 81 -5.845 4.987 3.922 696 HD13 LEU 81 3HD1 LEU 81 -5.426 6.697 3.945 697 HD21 LEU 81 1HD2 LEU 81 -2.524 6.429 1.648 698 HD22 LEU 81 2HD2 LEU 81 -2.408 6.461 3.411 699 HD23 LEU 81 3HD2 LEU 81 -3.519 7.549 2.579 700 H VAL 82 H VAL 82 -3.006 1.218 5.045 701 HA VAL 82 HA VAL 82 -1.420 -0.358 3.089 702 HB VAL 82 HB VAL 82 -1.826 -1.012 6.038 703 HG11 VAL 82 1HG1 VAL 82 0.027 -2.302 4.009 704 HG12 VAL 82 2HG1 VAL 82 -1.421 -3.031 4.707 705 HG13 VAL 82 3HG1 VAL 82 -0.029 -2.679 5.734 706 HG21 VAL 82 1HG2 VAL 82 -0.485 1.025 5.810 707 HG22 VAL 82 2HG2 VAL 82 0.605 0.204 4.691 708 HG23 VAL 82 3HG2 VAL 82 0.517 -0.314 6.376 709 H ILE 83 H ILE 83 -2.449 -1.859 1.952 710 HA ILE 83 HA ILE 83 -4.784 -3.298 3.096 711 HB ILE 83 HB ILE 83 -3.908 -3.138 0.157 712 HG12 ILE 83 2HG1 ILE 83 -6.302 -1.854 1.538 713 HG13 ILE 83 3HG1 ILE 83 -4.890 -1.006 0.923 714 HG21 ILE 83 1HG2 ILE 83 -6.365 -4.463 1.374 715 HG22 ILE 83 2HG2 ILE 83 -4.965 -5.301 0.702 716 HG23 ILE 83 3HG2 ILE 83 -6.005 -4.343 -0.350 717 HD11 ILE 83 1HD1 ILE 83 -6.896 -2.518 -0.741 718 HD12 ILE 83 2HD1 ILE 83 -5.476 -1.657 -1.346 719 HD13 ILE 83 3HD1 ILE 83 -6.775 -0.770 -0.556 720 H MET 84 H MET 84 -4.478 -5.479 3.488 721 HA MET 84 HA MET 84 -2.141 -6.865 2.300 722 HB2 MET 84 2HB MET 84 -3.098 -6.953 5.200 723 HB3 MET 84 3HB MET 84 -2.059 -8.193 4.519 724 HG2 MET 84 2HG MET 84 -0.308 -6.568 4.105 725 HG3 MET 84 3HG MET 84 -1.348 -5.254 4.635 726 HE1 MET 84 1HE MET 84 -1.408 -5.568 8.462 727 HE2 MET 84 2HE MET 84 -2.660 -5.874 7.261 728 HE3 MET 84 3HE MET 84 -1.591 -4.482 7.084 729 H VAL 85 H VAL 85 -2.888 -8.400 1.007 730 HA VAL 85 HA VAL 85 -5.415 -9.837 1.574 731 HB VAL 85 HB VAL 85 -4.372 -9.157 -1.226 732 HG11 VAL 85 1HG1 VAL 85 -7.051 -10.290 -0.328 733 HG12 VAL 85 2HG1 VAL 85 -5.770 -11.166 -1.170 734 HG13 VAL 85 3HG1 VAL 85 -6.625 -9.857 -1.986 735 HG21 VAL 85 1HG2 VAL 85 -6.108 -7.442 -1.398 736 HG22 VAL 85 2HG2 VAL 85 -5.006 -7.077 -0.070 737 HG23 VAL 85 3HG2 VAL 85 -6.603 -7.745 0.268 738 H ASP 86 H ASP 86 -4.936 -11.927 1.977 739 HA ASP 86 HA ASP 86 -3.298 -13.579 0.346 740 HB2 ASP 86 2HB ASP 86 -1.472 -12.310 1.534 741 HB3 ASP 86 3HB ASP 86 -2.108 -12.864 3.077 742 H GLN 87 H GLN 87 -3.109 -15.754 1.265 743 HA GLN 87 HA GLN 87 -5.676 -16.705 1.837 744 HB2 GLN 87 2HB GLN 87 -3.015 -18.184 1.893 745 HB3 GLN 87 3HB GLN 87 -4.590 -18.965 1.910 746 HG2 GLN 87 2HG GLN 87 -3.796 -19.142 -0.317 747 HG3 GLN 87 3HG GLN 87 -5.020 -17.873 -0.361 748 HE21 GLN 87 1HE2 GLN 87 -4.331 -15.704 -0.704 749 HE22 GLN 87 2HE2 GLN 87 -2.753 -15.347 -1.330 750 H ASP 88 H ASP 88 -2.872 -16.226 3.893 751 HA ASP 88 HA ASP 88 -4.306 -17.217 6.268 752 HB2 ASP 88 2HB ASP 88 -1.749 -17.654 5.773 753 HB3 ASP 88 3HB ASP 88 -1.515 -16.011 6.357 754 H GLN 89 H GLN 89 -5.905 -15.545 5.871 755 HA GLN 89 HA GLN 89 -5.572 -12.778 6.056 756 HB2 GLN 89 2HB GLN 89 -7.661 -13.900 5.330 757 HB3 GLN 89 3HB GLN 89 -7.934 -14.510 6.949 758 HG2 GLN 89 2HG GLN 89 -7.850 -11.530 6.386 759 HG3 GLN 89 3HG GLN 89 -9.319 -12.463 6.128 760 HE21 GLN 89 1HE2 GLN 89 -8.819 -10.263 8.004 761 HE22 GLN 89 2HE2 GLN 89 -9.182 -10.881 9.572 762 H GLU 90 H GLU 90 -5.581 -15.229 8.528 763 HA GLU 90 HA GLU 90 -6.071 -13.622 10.815 764 HB2 GLU 90 2HB GLU 90 -4.623 -16.303 10.633 765 HB3 GLU 90 3HB GLU 90 -5.349 -15.607 12.081 766 HG2 GLU 90 2HG GLU 90 -7.592 -15.780 11.059 767 HG3 GLU 90 3HG GLU 90 -6.867 -16.434 9.589 768 H GLU 91 H GLU 91 -3.086 -14.707 9.198 769 HA GLU 91 HA GLU 91 -1.170 -13.601 10.981 770 HB2 GLU 91 2HB GLU 91 -0.550 -15.286 9.290 771 HB3 GLU 91 3HB GLU 91 -0.978 -14.182 7.987 772 HG2 GLU 91 2HG GLU 91 0.857 -12.666 8.676 773 HG3 GLU 91 3HG GLU 91 1.295 -13.779 9.968 774 H LEU 92 H LEU 92 -2.807 -12.343 8.111 775 HA LEU 92 HA LEU 92 -1.493 -9.842 7.894 776 HB2 LEU 92 2HB LEU 92 -4.361 -10.467 7.108 777 HB3 LEU 92 3HB LEU 92 -3.342 -9.200 6.442 778 HG LEU 92 HG LEU 92 -2.906 -12.185 6.066 779 HD11 LEU 92 1HD1 LEU 92 -4.907 -11.413 4.919 780 HD12 LEU 92 2HD1 LEU 92 -3.644 -11.806 3.762 781 HD13 LEU 92 3HD1 LEU 92 -3.996 -10.119 4.138 782 HD21 LEU 92 1HD2 LEU 92 -1.421 -9.851 4.816 783 HD22 LEU 92 2HD2 LEU 92 -1.215 -11.551 4.397 784 HD23 LEU 92 3HD2 LEU 92 -0.777 -10.986 6.005 785 H GLU 93 H GLU 93 -4.377 -10.922 9.607 786 HA GLU 93 HA GLU 93 -5.315 -8.402 10.541 787 HB2 GLU 93 2HB GLU 93 -6.733 -10.450 10.250 788 HB3 GLU 93 3HB GLU 93 -5.911 -11.199 11.616 789 HG2 GLU 93 2HG GLU 93 -6.791 -9.451 13.118 790 HG3 GLU 93 3HG GLU 93 -7.575 -8.656 11.751 791 H ARG 94 H ARG 94 -3.038 -10.750 11.757 792 HA ARG 94 HA ARG 94 -2.595 -9.776 14.365 793 HB2 ARG 94 2HB ARG 94 -1.663 -11.919 13.470 794 HB3 ARG 94 3HB ARG 94 -0.610 -11.006 12.401 795 HG2 ARG 94 2HG ARG 94 0.710 -11.770 14.253 796 HG3 ARG 94 3HG ARG 94 0.507 -10.027 14.430 797 HD2 ARG 94 2HD ARG 94 -1.159 -10.327 16.154 798 HD3 ARG 94 3HD ARG 94 -1.208 -12.075 15.874 799 HE ARG 94 HE ARG 94 1.426 -11.276 16.539 800 HH11 ARG 94 1HH1 ARG 94 -1.707 -11.722 18.088 801 HH12 ARG 94 2HH1 ARG 94 -1.024 -12.060 19.640 802 HH21 ARG 94 1HH2 ARG 94 2.302 -11.780 18.566 803 HH22 ARG 94 2HH2 ARG 94 1.258 -12.096 19.912 804 H ILE 95 H ILE 95 -1.033 -8.973 11.251 805 HA ILE 95 HA ILE 95 0.701 -6.946 12.281 806 HB ILE 95 HB ILE 95 -0.157 -7.250 9.359 807 HG12 ILE 95 2HG1 ILE 95 0.525 -9.470 10.034 808 HG13 ILE 95 3HG1 ILE 95 1.840 -8.791 9.091 809 HG21 ILE 95 1HG2 ILE 95 1.142 -5.223 9.800 810 HG22 ILE 95 2HG2 ILE 95 2.094 -6.356 8.843 811 HG23 ILE 95 3HG2 ILE 95 2.421 -6.170 10.568 812 HD11 ILE 95 1HD1 ILE 95 2.721 -10.017 10.944 813 HD12 ILE 95 2HD1 ILE 95 1.728 -9.120 12.089 814 HD13 ILE 95 3HD1 ILE 95 3.036 -8.305 11.225 815 H TYR 96 H TYR 96 -2.539 -6.992 11.016 816 HA TYR 96 HA TYR 96 -3.102 -4.336 10.403 817 HB2 TYR 96 2HB TYR 96 -4.612 -6.203 9.896 818 HB3 TYR 96 3HB TYR 96 -4.832 -6.549 11.597 819 HD1 TYR 96 HD1 TYR 96 -6.004 -4.589 8.771 820 HD2 TYR 96 HD2 TYR 96 -6.239 -4.965 13.017 821 HE1 TYR 96 HE1 TYR 96 -8.062 -3.258 8.784 822 HE2 TYR 96 HE2 TYR 96 -8.291 -3.609 13.025 823 HH TYR 96 HH TYR 96 -10.055 -2.933 10.246 824 H GLU 97 H GLU 97 -3.546 -6.068 13.503 825 HA GLU 97 HA GLU 97 -4.568 -3.956 15.046 826 HB2 GLU 97 2HB GLU 97 -4.647 -6.401 15.671 827 HB3 GLU 97 3HB GLU 97 -2.929 -6.331 16.042 828 HG2 GLU 97 2HG GLU 97 -3.557 -4.449 17.713 829 HG3 GLU 97 3HG GLU 97 -5.219 -4.991 17.499 830 H GLN 98 H GLN 98 -1.273 -4.997 14.413 831 HA GLN 98 HA GLN 98 0.165 -3.383 16.216 832 HB2 GLN 98 2HB GLN 98 1.229 -5.270 15.091 833 HB3 GLN 98 3HB GLN 98 0.930 -4.558 13.510 834 HG2 GLN 98 2HG GLN 98 3.292 -4.339 14.142 835 HG3 GLN 98 3HG GLN 98 2.530 -2.755 13.987 836 HE21 GLN 98 1HE2 GLN 98 4.040 -1.725 15.308 837 HE22 GLN 98 2HE2 GLN 98 4.149 -2.003 17.011 838 H LEU 99 H LEU 99 -0.647 -2.862 12.780 839 HA LEU 99 HA LEU 99 0.619 -0.331 12.533 840 HB2 LEU 99 2HB LEU 99 -1.509 -1.648 10.815 841 HB3 LEU 99 3HB LEU 99 -0.573 -0.239 10.338 842 HG LEU 99 HG LEU 99 0.590 -3.003 10.882 843 HD11 LEU 99 1HD1 LEU 99 0.915 -3.196 8.473 844 HD12 LEU 99 2HD1 LEU 99 0.134 -1.633 8.214 845 HD13 LEU 99 3HD1 LEU 99 -0.794 -2.989 8.857 846 HD21 LEU 99 1HD2 LEU 99 2.194 -1.233 11.383 847 HD22 LEU 99 2HD2 LEU 99 1.946 -0.525 9.785 848 HD23 LEU 99 3HD2 LEU 99 2.668 -2.129 9.940 849 H LYS 100 H LYS 100 -2.622 -1.296 13.471 850 HA LYS 100 HA LYS 100 -3.849 1.272 13.310 851 HB2 LYS 100 2HB LYS 100 -4.573 -1.327 14.664 852 HB3 LYS 100 3HB LYS 100 -5.472 0.123 15.091 853 HG2 LYS 100 2HG LYS 100 -5.208 -1.030 12.298 854 HG3 LYS 100 3HG LYS 100 -6.620 -1.175 13.348 855 HD2 LYS 100 2HD LYS 100 -6.837 1.334 13.332 856 HD3 LYS 100 3HD LYS 100 -5.488 1.411 12.192 857 HE2 LYS 100 2HE LYS 100 -7.594 1.604 10.992 858 HE3 LYS 100 3HE LYS 100 -6.828 0.072 10.568 859 HZ1 LYS 100 1HZ LYS 100 -9.174 -0.235 10.960 860 HZ2 LYS 100 2HZ LYS 100 -9.058 0.452 12.497 861 HZ3 LYS 100 3HZ LYS 100 -8.306 -1.022 12.179 862 H LYS 101 H LYS 101 -1.907 -0.295 15.811 863 HA LYS 101 HA LYS 101 -2.250 1.700 17.830 864 HB2 LYS 101 2HB LYS 101 0.103 -0.165 17.335 865 HB3 LYS 101 3HB LYS 101 -0.082 0.839 18.769 866 HG2 LYS 101 2HG LYS 101 -2.139 -0.397 19.363 867 HG3 LYS 101 3HG LYS 101 -1.926 -1.424 17.936 868 HD2 LYS 101 2HD LYS 101 0.235 -2.229 18.816 869 HD3 LYS 101 3HD LYS 101 0.083 -1.162 20.218 870 HE2 LYS 101 2HE LYS 101 -0.508 -3.459 20.807 871 HE3 LYS 101 3HE LYS 101 -1.927 -2.418 20.937 872 HZ1 LYS 101 1HZ LYS 101 -1.297 -4.200 18.643 873 HZ2 LYS 101 2HZ LYS 101 -2.674 -3.236 18.794 874 HZ3 LYS 101 3HZ LYS 101 -2.423 -4.527 19.855 875 H ASP 102 H ASP 102 -0.110 1.371 15.049 876 HA ASP 102 HA ASP 102 1.525 3.671 15.543 877 HB2 ASP 102 2HB ASP 102 0.957 2.180 12.939 878 HB3 ASP 102 3HB ASP 102 2.172 3.445 13.105 879 H GLY 103 H GLY 103 -1.706 3.361 14.460 880 HA2 GLY 103 2HA GLY 103 -3.264 5.021 14.029 881 HA3 GLY 103 3HA GLY 103 -1.984 6.226 14.018 882 H VAL 104 H VAL 104 -2.181 3.264 12.146 883 HA VAL 104 HA VAL 104 -2.010 4.791 9.623 884 HB VAL 104 HB VAL 104 -1.176 1.904 10.205 885 HG11 VAL 104 1HG1 VAL 104 -1.778 2.246 7.840 886 HG12 VAL 104 2HG1 VAL 104 -0.043 1.977 8.017 887 HG13 VAL 104 3HG1 VAL 104 -0.660 3.609 7.740 888 HG21 VAL 104 1HG2 VAL 104 1.132 2.693 10.185 889 HG22 VAL 104 2HG2 VAL 104 0.222 3.569 11.412 890 HG23 VAL 104 3HG2 VAL 104 0.603 4.348 9.876 891 H ASP 105 H ASP 105 -3.598 4.506 8.100 892 HA ASP 105 HA ASP 105 -6.027 3.146 8.883 893 HB2 ASP 105 2HB ASP 105 -6.089 5.345 7.727 894 HB3 ASP 105 3HB ASP 105 -5.283 4.637 6.345 895 H VAL 106 H VAL 106 -5.994 0.999 8.713 896 HA VAL 106 HA VAL 106 -4.772 -0.337 6.368 897 HB VAL 106 HB VAL 106 -3.908 -2.127 7.821 898 HG11 VAL 106 1HG1 VAL 106 -2.079 -0.951 8.835 899 HG12 VAL 106 2HG1 VAL 106 -2.997 0.550 8.927 900 HG13 VAL 106 3HG1 VAL 106 -2.509 -0.093 7.359 901 HG21 VAL 106 1HG2 VAL 106 -4.863 -0.488 10.203 902 HG22 VAL 106 2HG2 VAL 106 -3.930 -1.988 10.272 903 HG23 VAL 106 3HG2 VAL 106 -5.578 -2.000 9.650 904 H ARG 107 H ARG 107 -5.575 -2.377 5.824 905 HA ARG 107 HA ARG 107 -7.990 -3.453 7.013 906 HB2 ARG 107 2HB ARG 107 -9.218 -3.376 4.785 907 HB3 ARG 107 3HB ARG 107 -9.036 -1.832 5.606 908 HG2 ARG 107 2HG ARG 107 -6.969 -1.461 4.078 909 HG3 ARG 107 3HG ARG 107 -7.602 -2.804 3.122 910 HD2 ARG 107 2HD ARG 107 -8.271 -0.499 2.310 911 HD3 ARG 107 3HD ARG 107 -9.624 -1.590 2.616 912 HE ARG 107 HE ARG 107 -10.381 -0.104 4.137 913 HH11 ARG 107 1HH1 ARG 107 -6.891 0.488 3.903 914 HH12 ARG 107 2HH1 ARG 107 -6.939 1.829 5.007 915 HH21 ARG 107 1HH2 ARG 107 -10.395 1.594 5.603 916 HH22 ARG 107 2HH2 ARG 107 -8.922 2.443 5.964 917 H VAL 108 H VAL 108 -8.184 -5.627 6.635 918 HA VAL 108 HA VAL 108 -6.243 -6.928 4.817 919 HB VAL 108 HB VAL 108 -5.848 -8.699 6.467 920 HG11 VAL 108 1HG1 VAL 108 -5.356 -5.937 7.639 921 HG12 VAL 108 2HG1 VAL 108 -4.335 -6.782 6.474 922 HG13 VAL 108 3HG1 VAL 108 -4.517 -7.421 8.104 923 HG21 VAL 108 1HG2 VAL 108 -6.633 -8.546 8.806 924 HG22 VAL 108 2HG2 VAL 108 -7.986 -8.680 7.685 925 HG23 VAL 108 3HG2 VAL 108 -7.590 -7.117 8.402 926 H THR 109 H THR 109 -6.941 -8.751 3.759 927 HA THR 109 HA THR 109 -9.464 -10.053 4.277 928 HB THR 109 HB THR 109 -10.307 -8.039 3.125 929 HG1 THR 109 HG1 THR 109 -11.573 -9.095 1.713 930 HG21 THR 109 1HG2 THR 109 -8.324 -7.367 1.838 931 HG22 THR 109 2HG2 THR 109 -9.726 -7.512 0.778 932 HG23 THR 109 3HG2 THR 109 -8.498 -8.780 0.794 933 H ASP 110 H ASP 110 -9.890 -11.652 2.399 934 HA ASP 110 HA ASP 110 -7.593 -12.331 0.725 935 HB2 ASP 110 2HB ASP 110 -7.239 -13.825 2.650 936 HB3 ASP 110 3HB ASP 110 -8.916 -14.353 2.603 937 H ASN 111 H ASN 111 -8.743 -11.614 -0.933 938 HA ASN 111 HA ASN 111 -10.653 -13.033 -2.355 939 HB2 ASN 111 2HB ASN 111 -12.171 -12.393 -0.428 940 HB3 ASN 111 3HB ASN 111 -11.881 -10.700 -0.779 941 HD21 ASN 111 1HD2 ASN 111 -14.379 -12.129 -0.685 942 HD22 ASN 111 2HD2 ASN 111 -15.127 -11.939 -2.225 943 H GLU 112 H GLU 112 -9.916 -12.363 -4.295 944 HA GLU 112 HA GLU 112 -8.326 -10.058 -4.676 945 HB2 GLU 112 2HB GLU 112 -8.061 -12.117 -6.003 946 HB3 GLU 112 3HB GLU 112 -9.642 -11.880 -6.738 947 HG2 GLU 112 2HG GLU 112 -8.830 -9.824 -7.841 948 HG3 GLU 112 3HG GLU 112 -7.248 -10.029 -7.086 949 H ASP 113 H ASP 113 -11.732 -10.724 -5.342 950 HA ASP 113 HA ASP 113 -12.339 -8.373 -6.848 951 HB2 ASP 113 2HB ASP 113 -13.803 -10.340 -6.980 952 HB3 ASP 113 3HB ASP 113 -14.145 -10.258 -5.255 953 H GLU 114 H GLU 114 -12.737 -9.243 -3.409 954 HA GLU 114 HA GLU 114 -13.874 -6.817 -2.513 955 HB2 GLU 114 2HB GLU 114 -13.720 -9.107 -1.285 956 HB3 GLU 114 3HB GLU 114 -12.103 -8.612 -0.803 957 HG2 GLU 114 2HG GLU 114 -13.552 -8.105 1.018 958 HG3 GLU 114 3HG GLU 114 -13.152 -6.565 0.257 959 H ALA 115 H ALA 115 -10.561 -7.914 -2.901 960 HA ALA 115 HA ALA 115 -9.131 -5.893 -1.594 961 HB1 ALA 115 1HB ALA 115 -8.331 -7.528 -4.027 962 HB2 ALA 115 2HB ALA 115 -8.137 -8.011 -2.342 963 HB3 ALA 115 3HB ALA 115 -7.228 -6.635 -2.966 964 H LYS 116 H LYS 116 -10.342 -6.115 -4.932 965 HA LYS 116 HA LYS 116 -9.104 -3.757 -5.948 966 HB2 LYS 116 2HB LYS 116 -11.571 -5.239 -6.966 967 HB3 LYS 116 3HB LYS 116 -10.699 -3.995 -7.858 968 HG2 LYS 116 2HG LYS 116 -8.666 -5.448 -7.856 969 HG3 LYS 116 3HG LYS 116 -9.592 -6.688 -7.016 970 HD2 LYS 116 2HD LYS 116 -9.557 -7.301 -9.343 971 HD3 LYS 116 3HD LYS 116 -11.190 -6.726 -8.995 972 HE2 LYS 116 2HE LYS 116 -10.621 -4.530 -9.988 973 HE3 LYS 116 3HE LYS 116 -8.982 -5.102 -10.306 974 HZ1 LYS 116 1HZ LYS 116 -9.936 -6.803 -11.775 975 HZ2 LYS 116 2HZ LYS 116 -10.288 -5.235 -12.290 976 HZ3 LYS 116 3HZ LYS 116 -11.482 -6.158 -11.528 977 H LYS 117 H LYS 117 -12.114 -4.348 -4.244 978 HA LYS 117 HA LYS 117 -13.326 -1.785 -4.718 979 HB2 LYS 117 2HB LYS 117 -13.869 -3.867 -2.551 980 HB3 LYS 117 3HB LYS 117 -14.888 -2.467 -2.880 981 HG2 LYS 117 2HG LYS 117 -15.265 -3.335 -5.197 982 HG3 LYS 117 3HG LYS 117 -14.352 -4.786 -4.765 983 HD2 LYS 117 2HD LYS 117 -16.021 -5.340 -3.029 984 HD3 LYS 117 3HD LYS 117 -16.905 -3.851 -3.383 985 HE2 LYS 117 2HE LYS 117 -17.306 -4.682 -5.698 986 HE3 LYS 117 3HE LYS 117 -16.504 -6.193 -5.272 987 HZ1 LYS 117 1HZ LYS 117 -18.935 -6.336 -5.143 988 HZ2 LYS 117 2HZ LYS 117 -18.952 -5.146 -3.940 989 HZ3 LYS 117 3HZ LYS 117 -18.211 -6.635 -3.647 990 H ARG 118 H ARG 118 -11.362 -3.201 -2.135 991 HA ARG 118 HA ARG 118 -11.351 -0.951 -0.369 992 HB2 ARG 118 2HB ARG 118 -9.385 -3.278 -0.587 993 HB3 ARG 118 3HB ARG 118 -9.472 -2.154 0.762 994 HG2 ARG 118 2HG ARG 118 -11.573 -4.175 -0.062 995 HG3 ARG 118 3HG ARG 118 -10.559 -4.225 1.379 996 HD2 ARG 118 2HD ARG 118 -11.688 -2.226 2.265 997 HD3 ARG 118 3HD ARG 118 -12.671 -2.105 0.802 998 HE ARG 118 HE ARG 118 -12.927 -4.079 2.961 999 HH11 ARG 118 1HH1 ARG 118 -14.161 -2.876 -0.120 1000 HH12 ARG 118 2HH1 ARG 118 -15.651 -3.751 0.016 1001 HH21 ARG 118 1HH2 ARG 118 -14.888 -5.172 3.114 1002 HH22 ARG 118 2HH2 ARG 118 -16.057 -5.042 1.843 1003 H LEU 119 H LEU 119 -9.367 -1.979 -3.050 1004 HA LEU 119 HA LEU 119 -7.162 -0.226 -2.761 1005 HB2 LEU 119 2HB LEU 119 -7.582 -2.384 -4.305 1006 HB3 LEU 119 3HB LEU 119 -8.145 -1.209 -5.469 1007 HG LEU 119 HG LEU 119 -5.826 -1.843 -5.926 1008 HD11 LEU 119 1HD1 LEU 119 -6.433 0.450 -6.502 1009 HD12 LEU 119 2HD1 LEU 119 -4.738 0.335 -6.041 1010 HD13 LEU 119 3HD1 LEU 119 -5.915 1.003 -4.908 1011 HD21 LEU 119 1HD2 LEU 119 -5.175 -2.497 -3.642 1012 HD22 LEU 119 2HD2 LEU 119 -5.114 -0.797 -3.168 1013 HD23 LEU 119 3HD2 LEU 119 -3.989 -1.419 -4.378 1014 H LYS 120 H LYS 120 -10.119 -0.138 -4.709 1015 HA LYS 120 HA LYS 120 -9.912 2.343 -5.940 1016 HB2 LYS 120 2HB LYS 120 -11.538 0.574 -6.538 1017 HB3 LYS 120 3HB LYS 120 -12.400 0.835 -5.025 1018 HG2 LYS 120 2HG LYS 120 -13.084 3.061 -5.737 1019 HG3 LYS 120 3HG LYS 120 -12.100 2.944 -7.198 1020 HD2 LYS 120 2HD LYS 120 -14.520 1.211 -6.536 1021 HD3 LYS 120 3HD LYS 120 -14.492 2.539 -7.697 1022 HE2 LYS 120 2HE LYS 120 -12.828 1.296 -9.054 1023 HE3 LYS 120 3HE LYS 120 -12.892 -0.035 -7.897 1024 HZ1 LYS 120 1HZ LYS 120 -15.152 0.934 -9.572 1025 HZ2 LYS 120 2HZ LYS 120 -15.248 -0.315 -8.437 1026 HZ3 LYS 120 3HZ LYS 120 -14.276 -0.495 -9.803 1027 H GLU 121 H GLU 121 -11.256 1.436 -2.803 1028 HA GLU 121 HA GLU 121 -12.498 3.825 -2.030 1029 HB2 GLU 121 2HB GLU 121 -12.912 1.651 -0.989 1030 HB3 GLU 121 3HB GLU 121 -11.258 1.589 -0.383 1031 HG2 GLU 121 2HG GLU 121 -11.752 3.603 1.024 1032 HG3 GLU 121 3HG GLU 121 -13.428 3.531 0.475 1033 H LEU 122 H LEU 122 -9.140 2.706 -1.515 1034 HA LEU 122 HA LEU 122 -8.315 4.937 0.098 1035 HB2 LEU 122 2HB LEU 122 -6.618 3.009 -1.535 1036 HB3 LEU 122 3HB LEU 122 -5.995 4.152 -0.353 1037 HG LEU 122 HG LEU 122 -7.766 1.748 0.224 1038 HD11 LEU 122 1HD1 LEU 122 -5.467 1.139 -0.231 1039 HD12 LEU 122 2HD1 LEU 122 -5.806 0.940 1.485 1040 HD13 LEU 122 3HD1 LEU 122 -4.878 2.333 0.927 1041 HD21 LEU 122 1HD2 LEU 122 -7.527 2.327 2.608 1042 HD22 LEU 122 2HD2 LEU 122 -8.416 3.558 1.720 1043 HD23 LEU 122 3HD2 LEU 122 -6.731 3.839 2.168 1044 H LEU 123 H LEU 123 -8.234 4.182 -3.338 1045 HA LEU 123 HA LEU 123 -6.907 6.562 -4.165 1046 HB2 LEU 123 2HB LEU 123 -8.401 4.362 -5.568 1047 HB3 LEU 123 3HB LEU 123 -8.139 5.856 -6.445 1048 HG LEU 123 HG LEU 123 -6.411 4.145 -6.968 1049 HD11 LEU 123 1HD1 LEU 123 -5.835 6.515 -7.221 1050 HD12 LEU 123 2HD1 LEU 123 -4.427 5.564 -6.759 1051 HD13 LEU 123 3HD1 LEU 123 -5.241 6.570 -5.557 1052 HD21 LEU 123 1HD2 LEU 123 -4.693 3.501 -5.338 1053 HD22 LEU 123 2HD2 LEU 123 -6.295 2.980 -4.823 1054 HD23 LEU 123 3HD2 LEU 123 -5.547 4.388 -4.068 1055 H GLU 124 H GLU 124 -10.232 5.880 -3.300 1056 HA GLU 124 HA GLU 124 -11.324 8.338 -4.313 1057 HB2 GLU 124 2HB GLU 124 -12.340 6.565 -2.041 1058 HB3 GLU 124 3HB GLU 124 -13.240 7.875 -2.788 1059 HG2 GLU 124 2HG GLU 124 -12.401 5.289 -4.117 1060 HG3 GLU 124 3HG GLU 124 -14.025 5.720 -3.606 1061 H LYS 125 H LYS 125 -9.815 7.283 -1.276 1062 HA LYS 125 HA LYS 125 -10.308 9.643 0.244 1063 HB2 LYS 125 2HB LYS 125 -8.143 7.525 0.600 1064 HB3 LYS 125 3HB LYS 125 -8.536 8.765 1.789 1065 HG2 LYS 125 2HG LYS 125 -10.801 7.816 2.048 1066 HG3 LYS 125 3HG LYS 125 -10.424 6.582 0.841 1067 HD2 LYS 125 2HD LYS 125 -8.584 5.738 2.333 1068 HD3 LYS 125 3HD LYS 125 -9.069 6.925 3.551 1069 HE2 LYS 125 2HE LYS 125 -11.330 5.865 3.625 1070 HE3 LYS 125 3HE LYS 125 -10.766 4.646 2.479 1071 HZ1 LYS 125 1HZ LYS 125 -9.166 3.887 4.067 1072 HZ2 LYS 125 2HZ LYS 125 -10.677 3.937 4.824 1073 HZ3 LYS 125 3HZ LYS 125 -9.539 5.137 5.134 1074 H VAL 126 H VAL 126 -7.740 8.762 -2.021 1075 HA VAL 126 HA VAL 126 -6.059 11.020 -1.285 1076 HB VAL 126 HB VAL 126 -5.121 8.833 -2.136 1077 HG11 VAL 126 1HG1 VAL 126 -4.963 8.389 -4.529 1078 HG12 VAL 126 2HG1 VAL 126 -5.969 9.800 -4.876 1079 HG13 VAL 126 3HG1 VAL 126 -6.649 8.424 -4.010 1080 HG21 VAL 126 1HG2 VAL 126 -3.729 10.851 -2.017 1081 HG22 VAL 126 2HG2 VAL 126 -4.218 11.303 -3.651 1082 HG23 VAL 126 3HG2 VAL 126 -3.262 9.842 -3.388 1083 H LEU 127 H LEU 127 -8.427 10.304 -3.853 1084 HA LEU 127 HA LEU 127 -7.945 12.690 -5.393 1085 HB2 LEU 127 2HB LEU 127 -10.231 10.692 -5.411 1086 HB3 LEU 127 3HB LEU 127 -10.166 12.069 -6.505 1087 HG LEU 127 HG LEU 127 -8.116 9.818 -6.398 1088 HD11 LEU 127 1HD1 LEU 127 -10.265 9.049 -7.285 1089 HD12 LEU 127 2HD1 LEU 127 -9.034 9.090 -8.542 1090 HD13 LEU 127 3HD1 LEU 127 -10.264 10.355 -8.473 1091 HD21 LEU 127 1HD2 LEU 127 -8.318 12.182 -8.298 1092 HD22 LEU 127 2HD2 LEU 127 -7.208 10.820 -8.467 1093 HD23 LEU 127 3HD2 LEU 127 -7.062 11.899 -7.086 1094 H GLU 128 H GLU 128 -10.198 11.790 -2.827 1095 HA GLU 128 HA GLU 128 -11.584 14.272 -2.667 1096 HB2 GLU 128 2HB GLU 128 -11.084 12.035 -0.659 1097 HB3 GLU 128 3HB GLU 128 -11.945 13.495 -0.193 1098 HG2 GLU 128 2HG GLU 128 -12.814 11.674 -2.447 1099 HG3 GLU 128 3HG GLU 128 -13.410 11.552 -0.793 1100 H HIS 129 H HIS 129 -8.799 12.920 -0.938 1101 HA HIS 129 HA HIS 129 -7.153 13.713 0.343 1102 HB2 HIS 129 2HB HIS 129 -6.741 15.483 -1.374 1103 HB3 HIS 129 3HB HIS 129 -7.899 16.531 -0.558 1104 HD1 HIS 129 HD1 HIS 129 -4.442 15.124 -0.247 1105 HD2 HIS 129 HD2 HIS 129 -6.882 17.811 1.756 1106 HE1 HIS 129 HE1 HIS 129 -2.949 16.290 1.381 1107 HE2 HIS 129 HE2 HIS 129 -4.489 17.771 2.700 1108 H HIS 130 H HIS 130 -10.124 15.596 0.604 1109 HA HIS 130 HA HIS 130 -10.328 16.484 3.120 1110 HB2 HIS 130 2HB HIS 130 -12.033 16.576 1.211 1111 HB3 HIS 130 3HB HIS 130 -12.594 14.990 1.722 1112 HD1 HIS 130 HD1 HIS 130 -13.104 18.535 2.278 1113 HD2 HIS 130 HD2 HIS 130 -13.704 15.064 4.467 1114 HE1 HIS 130 HE1 HIS 130 -14.700 19.163 4.111 1115 HE2 HIS 130 HE2 HIS 130 -15.140 17.009 5.331 1116 H HIS 131 H HIS 131 -10.755 13.094 2.163 1117 HA HIS 131 HA HIS 131 -11.382 12.193 4.865 1118 HB2 HIS 131 2HB HIS 131 -10.888 10.676 2.252 1119 HB3 HIS 131 3HB HIS 131 -11.241 9.875 3.779 1120 HD1 HIS 131 HD1 HIS 131 -13.635 9.398 4.174 1121 HD2 HIS 131 HD2 HIS 131 -13.138 12.548 1.516 1122 HE1 HIS 131 HE1 HIS 131 -15.948 10.036 3.449 1123 HE2 HIS 131 HE2 HIS 131 -15.602 11.818 1.709 1124 H HIS 132 H HIS 132 -9.681 12.467 6.271 1125 HA HIS 132 HA HIS 132 -7.365 10.790 6.071 1126 HB2 HIS 132 2HB HIS 132 -5.606 12.493 5.980 1127 HB3 HIS 132 3HB HIS 132 -6.649 12.656 4.572 1128 HD1 HIS 132 HD1 HIS 132 -8.315 14.728 4.600 1129 HD2 HIS 132 HD2 HIS 132 -5.398 14.783 7.548 1130 HE1 HIS 132 HE1 HIS 132 -8.262 17.080 5.441 1131 HE2 HIS 132 HE2 HIS 132 -6.323 17.141 7.026 1132 H HIS 133 H HIS 133 -9.623 12.265 7.926 1133 HA HIS 133 HA HIS 133 -8.232 13.238 10.209 1134 HB2 HIS 133 2HB HIS 133 -10.624 13.758 9.686 1135 HB3 HIS 133 3HB HIS 133 -11.060 12.096 10.047 1136 HD1 HIS 133 HD1 HIS 133 -10.529 15.386 11.606 1137 HD2 HIS 133 HD2 HIS 133 -10.870 11.448 12.893 1138 HE1 HIS 133 HE1 HIS 133 -11.035 15.519 14.059 1139 HE2 HIS 133 HE2 HIS 133 -11.138 13.131 14.828 1140 H HIS 134 H HIS 134 -9.779 10.112 9.539 1141 HA HIS 134 HA HIS 134 -7.969 8.744 11.429 1142 HB2 HIS 134 2HB HIS 134 -10.210 7.953 11.741 1143 HB3 HIS 134 3HB HIS 134 -10.533 7.900 10.014 1144 HD1 HIS 134 HD1 HIS 134 -8.440 6.045 12.605 1145 HD2 HIS 134 HD2 HIS 134 -10.168 5.450 8.882 1146 HE1 HIS 134 HE1 HIS 134 -8.072 3.620 12.070 1147 HE2 HIS 134 HE2 HIS 134 -8.887 3.381 9.704 Start of MODEL 16 1 H1 MET 1 1H MET 1 3.223 17.712 -0.195 2 H2 MET 1 2H MET 1 4.764 17.194 -0.654 3 H3 MET 1 3H MET 1 4.537 17.925 0.850 4 HA MET 1 HA MET 1 4.809 15.544 1.038 5 HB2 MET 1 2HB MET 1 2.032 16.594 1.742 6 HB3 MET 1 3HB MET 1 2.735 15.120 2.406 7 HG2 MET 1 2HG MET 1 3.789 17.934 2.795 8 HG3 MET 1 3HG MET 1 2.955 16.946 4.000 9 HE1 MET 1 1HE MET 1 6.799 17.171 5.148 10 HE2 MET 1 2HE MET 1 5.150 17.572 5.623 11 HE3 MET 1 3HE MET 1 5.908 18.413 4.268 12 H GLY 2 H GLY 2 2.926 13.621 1.137 13 HA2 GLY 2 2HA GLY 2 1.510 13.263 -1.346 14 HA3 GLY 2 3HA GLY 2 3.013 12.344 -1.274 15 H THR 3 H THR 3 1.205 10.653 -1.542 16 HA THR 3 HA THR 3 0.291 9.687 1.108 17 HB THR 3 HB THR 3 -1.297 9.735 -1.507 18 HG1 THR 3 HG1 THR 3 -1.220 11.353 0.738 19 HG21 THR 3 1HG2 THR 3 -2.106 8.581 1.186 20 HG22 THR 3 2HG2 THR 3 -1.796 7.654 -0.284 21 HG23 THR 3 3HG2 THR 3 -3.162 8.767 -0.212 22 H VAL 4 H VAL 4 1.294 7.792 1.501 23 HA VAL 4 HA VAL 4 2.248 6.107 -0.744 24 HB VAL 4 HB VAL 4 3.187 6.037 2.174 25 HG11 VAL 4 1HG1 VAL 4 5.079 4.701 1.306 26 HG12 VAL 4 2HG1 VAL 4 4.378 4.742 -0.313 27 HG13 VAL 4 3HG1 VAL 4 3.534 3.907 0.994 28 HG21 VAL 4 1HG2 VAL 4 4.534 7.383 -0.200 29 HG22 VAL 4 2HG2 VAL 4 5.243 7.192 1.406 30 HG23 VAL 4 3HG2 VAL 4 3.807 8.196 1.189 31 H VAL 5 H VAL 5 0.692 4.631 -1.182 32 HA VAL 5 HA VAL 5 -0.847 3.326 0.954 33 HB VAL 5 HB VAL 5 -1.201 3.096 -2.083 34 HG11 VAL 5 1HG1 VAL 5 -3.418 2.146 -1.552 35 HG12 VAL 5 2HG1 VAL 5 -3.057 2.238 0.173 36 HG13 VAL 5 3HG1 VAL 5 -2.121 1.164 -0.869 37 HG21 VAL 5 1HG2 VAL 5 -1.604 5.418 -1.349 38 HG22 VAL 5 2HG2 VAL 5 -2.747 4.854 -0.128 39 HG23 VAL 5 3HG2 VAL 5 -3.112 4.647 -1.843 40 H ILE 6 H ILE 6 0.077 1.557 1.793 41 HA ILE 6 HA ILE 6 2.075 -0.016 0.302 42 HB ILE 6 HB ILE 6 1.322 0.032 3.263 43 HG12 ILE 6 2HG1 ILE 6 2.516 2.073 2.580 44 HG13 ILE 6 3HG1 ILE 6 3.547 1.089 3.610 45 HG21 ILE 6 1HG2 ILE 6 2.088 -2.215 2.704 46 HG22 ILE 6 2HG2 ILE 6 3.307 -1.391 3.669 47 HG23 ILE 6 3HG2 ILE 6 3.537 -1.565 1.929 48 HD11 ILE 6 1HD1 ILE 6 3.726 1.312 0.604 49 HD12 ILE 6 2HD1 ILE 6 4.750 0.287 1.613 50 HD13 ILE 6 3HD1 ILE 6 4.815 2.041 1.784 51 H VAL 7 H VAL 7 1.003 -1.466 -0.938 52 HA VAL 7 HA VAL 7 -1.227 -3.063 0.121 53 HB VAL 7 HB VAL 7 -0.134 -2.895 -2.738 54 HG11 VAL 7 1HG1 VAL 7 -1.172 -5.088 -2.296 55 HG12 VAL 7 2HG1 VAL 7 -2.167 -4.140 -3.399 56 HG13 VAL 7 3HG1 VAL 7 -2.638 -4.297 -1.706 57 HG21 VAL 7 1HG2 VAL 7 -2.181 -1.603 -3.252 58 HG22 VAL 7 2HG2 VAL 7 -1.199 -0.783 -2.037 59 HG23 VAL 7 3HG2 VAL 7 -2.654 -1.656 -1.551 60 H VAL 8 H VAL 8 -0.655 -4.899 1.113 61 HA VAL 8 HA VAL 8 1.771 -6.403 0.295 62 HB VAL 8 HB VAL 8 0.248 -6.420 2.951 63 HG11 VAL 8 1HG1 VAL 8 2.029 -7.920 3.806 64 HG12 VAL 8 2HG1 VAL 8 2.710 -8.023 2.181 65 HG13 VAL 8 3HG1 VAL 8 1.099 -8.664 2.503 66 HG21 VAL 8 1HG2 VAL 8 3.034 -5.370 2.318 67 HG22 VAL 8 2HG2 VAL 8 2.295 -5.413 3.921 68 HG23 VAL 8 3HG2 VAL 8 1.608 -4.387 2.660 69 H SER 9 H SER 9 1.250 -8.068 -1.038 70 HA SER 9 HA SER 9 -0.787 -10.007 -0.177 71 HB2 SER 9 2HB SER 9 -0.591 -9.039 -3.068 72 HB3 SER 9 3HB SER 9 -1.706 -10.255 -2.445 73 HG SER 9 HG SER 9 -2.388 -8.403 -1.003 74 H ARG 10 H ARG 10 -0.236 -12.125 -0.667 75 HA ARG 10 HA ARG 10 2.497 -12.796 -1.056 76 HB2 ARG 10 2HB ARG 10 1.026 -14.230 0.280 77 HB3 ARG 10 3HB ARG 10 -0.035 -14.511 -1.095 78 HG2 ARG 10 2HG ARG 10 1.934 -15.685 -2.222 79 HG3 ARG 10 3HG ARG 10 2.776 -15.579 -0.677 80 HD2 ARG 10 2HD ARG 10 0.949 -16.880 0.389 81 HD3 ARG 10 3HD ARG 10 0.139 -17.006 -1.176 82 HE ARG 10 HE ARG 10 2.696 -18.288 -0.418 83 HH11 ARG 10 1HH1 ARG 10 -0.004 -18.094 -2.675 84 HH12 ARG 10 2HH1 ARG 10 0.426 -19.560 -3.494 85 HH21 ARG 10 1HH2 ARG 10 3.203 -20.236 -1.463 86 HH22 ARG 10 2HH2 ARG 10 2.243 -20.769 -2.807 87 H ASP 11 H ASP 11 -0.358 -13.385 -3.164 88 HA ASP 11 HA ASP 11 1.315 -14.643 -5.194 89 HB2 ASP 11 2HB ASP 11 -0.984 -15.504 -4.484 90 HB3 ASP 11 3HB ASP 11 -1.690 -14.127 -5.313 91 H GLU 12 H GLU 12 1.822 -13.836 -7.188 92 HA GLU 12 HA GLU 12 2.126 -11.068 -7.539 93 HB2 GLU 12 2HB GLU 12 3.572 -12.814 -8.586 94 HB3 GLU 12 3HB GLU 12 2.268 -13.226 -9.689 95 HG2 GLU 12 2HG GLU 12 2.375 -10.922 -10.624 96 HG3 GLU 12 3HG GLU 12 3.722 -10.568 -9.546 97 H ARG 13 H ARG 13 -0.311 -13.291 -8.806 98 HA ARG 13 HA ARG 13 -1.552 -11.617 -10.682 99 HB2 ARG 13 2HB ARG 13 -2.684 -13.919 -9.049 100 HB3 ARG 13 3HB ARG 13 -3.618 -13.082 -10.282 101 HG2 ARG 13 2HG ARG 13 -1.019 -14.564 -10.798 102 HG3 ARG 13 3HG ARG 13 -2.634 -15.214 -11.087 103 HD2 ARG 13 2HD ARG 13 -3.069 -13.457 -12.743 104 HD3 ARG 13 3HD ARG 13 -1.487 -12.741 -12.423 105 HE ARG 13 HE ARG 13 -1.390 -15.502 -13.258 106 HH11 ARG 13 1HH1 ARG 13 -1.443 -12.167 -14.432 107 HH12 ARG 13 2HH1 ARG 13 -0.702 -12.581 -15.948 108 HH21 ARG 13 1HH2 ARG 13 -0.404 -15.996 -15.218 109 HH22 ARG 13 2HH2 ARG 13 -0.112 -14.749 -16.388 110 H ILE 14 H ILE 14 -2.093 -11.942 -7.158 111 HA ILE 14 HA ILE 14 -4.402 -10.314 -7.010 112 HB ILE 14 HB ILE 14 -2.333 -10.700 -4.787 113 HG12 ILE 14 2HG1 ILE 14 -4.818 -12.359 -5.452 114 HG13 ILE 14 3HG1 ILE 14 -3.146 -12.893 -5.593 115 HG21 ILE 14 1HG2 ILE 14 -3.901 -8.819 -4.381 116 HG22 ILE 14 2HG2 ILE 14 -4.206 -10.144 -3.260 117 HG23 ILE 14 3HG2 ILE 14 -5.276 -9.897 -4.643 118 HD11 ILE 14 1HD1 ILE 14 -2.902 -12.731 -3.155 119 HD12 ILE 14 2HD1 ILE 14 -4.192 -13.834 -3.636 120 HD13 ILE 14 3HD1 ILE 14 -4.591 -12.227 -3.032 121 H LEU 15 H LEU 15 -0.908 -9.517 -6.635 122 HA LEU 15 HA LEU 15 -1.188 -6.776 -6.040 123 HB2 LEU 15 2HB LEU 15 1.111 -8.195 -7.435 124 HB3 LEU 15 3HB LEU 15 1.152 -6.495 -7.024 125 HG LEU 15 HG LEU 15 2.420 -7.495 -5.340 126 HD11 LEU 15 1HD1 LEU 15 0.821 -5.932 -4.361 127 HD12 LEU 15 2HD1 LEU 15 1.242 -7.216 -3.231 128 HD13 LEU 15 3HD1 LEU 15 -0.315 -7.252 -4.063 129 HD21 LEU 15 1HD2 LEU 15 1.916 -9.829 -5.817 130 HD22 LEU 15 2HD2 LEU 15 0.362 -9.685 -4.994 131 HD23 LEU 15 3HD2 LEU 15 1.864 -9.508 -4.085 132 H GLU 16 H GLU 16 -1.119 -8.430 -9.212 133 HA GLU 16 HA GLU 16 -0.947 -5.935 -10.703 134 HB2 GLU 16 2HB GLU 16 -0.896 -7.274 -12.722 135 HB3 GLU 16 3HB GLU 16 0.180 -8.001 -11.538 136 HG2 GLU 16 2HG GLU 16 -1.616 -9.661 -11.003 137 HG3 GLU 16 3HG GLU 16 -2.588 -8.968 -12.295 138 H GLU 17 H GLU 17 -3.512 -8.106 -9.655 139 HA GLU 17 HA GLU 17 -5.641 -7.068 -11.245 140 HB2 GLU 17 2HB GLU 17 -5.717 -8.264 -8.434 141 HB3 GLU 17 3HB GLU 17 -7.144 -7.885 -9.380 142 HG2 GLU 17 2HG GLU 17 -5.085 -10.014 -9.948 143 HG3 GLU 17 3HG GLU 17 -6.770 -10.239 -9.510 144 H LEU 18 H LEU 18 -4.284 -6.213 -8.120 145 HA LEU 18 HA LEU 18 -6.035 -4.009 -7.558 146 HB2 LEU 18 2HB LEU 18 -3.405 -4.878 -6.295 147 HB3 LEU 18 3HB LEU 18 -4.493 -3.676 -5.622 148 HG LEU 18 HG LEU 18 -5.102 -6.641 -5.969 149 HD11 LEU 18 1HD1 LEU 18 -5.125 -6.743 -3.519 150 HD12 LEU 18 2HD1 LEU 18 -4.670 -5.041 -3.432 151 HD13 LEU 18 3HD1 LEU 18 -3.555 -6.218 -4.124 152 HD21 LEU 18 1HD2 LEU 18 -7.223 -6.204 -4.792 153 HD22 LEU 18 2HD2 LEU 18 -7.141 -5.357 -6.334 154 HD23 LEU 18 3HD2 LEU 18 -6.887 -4.471 -4.829 155 H LEU 19 H LEU 19 -2.961 -4.412 -9.159 156 HA LEU 19 HA LEU 19 -2.088 -1.715 -9.263 157 HB2 LEU 19 2HB LEU 19 -0.567 -3.553 -9.731 158 HB3 LEU 19 3HB LEU 19 -1.546 -4.086 -11.084 159 HG LEU 19 HG LEU 19 -0.895 -2.076 -12.371 160 HD11 LEU 19 1HD1 LEU 19 -0.609 -0.464 -10.562 161 HD12 LEU 19 2HD1 LEU 19 0.831 -0.533 -11.570 162 HD13 LEU 19 3HD1 LEU 19 0.825 -1.321 -9.991 163 HD21 LEU 19 1HD2 LEU 19 1.490 -3.587 -11.240 164 HD22 LEU 19 2HD2 LEU 19 1.472 -2.665 -12.746 165 HD23 LEU 19 3HD2 LEU 19 0.468 -4.104 -12.586 166 H GLU 20 H GLU 20 -3.965 -3.737 -11.515 167 HA GLU 20 HA GLU 20 -4.594 -1.930 -13.517 168 HB2 GLU 20 2HB GLU 20 -6.026 -4.325 -12.350 169 HB3 GLU 20 3HB GLU 20 -6.833 -3.368 -13.580 170 HG2 GLU 20 2HG GLU 20 -4.116 -4.639 -13.969 171 HG3 GLU 20 3HG GLU 20 -5.631 -5.402 -14.427 172 H VAL 21 H VAL 21 -6.184 -2.389 -10.384 173 HA VAL 21 HA VAL 21 -8.365 -0.660 -10.740 174 HB VAL 21 HB VAL 21 -6.956 -1.401 -8.135 175 HG11 VAL 21 1HG1 VAL 21 -9.094 -0.849 -7.022 176 HG12 VAL 21 2HG1 VAL 21 -9.752 -0.278 -8.557 177 HG13 VAL 21 3HG1 VAL 21 -8.390 0.564 -7.814 178 HG21 VAL 21 1HG2 VAL 21 -8.675 -3.152 -7.904 179 HG22 VAL 21 2HG2 VAL 21 -7.736 -3.388 -9.376 180 HG23 VAL 21 3HG2 VAL 21 -9.360 -2.708 -9.471 181 H VAL 22 H VAL 22 -5.113 0.001 -9.289 182 HA VAL 22 HA VAL 22 -5.542 2.708 -8.601 183 HB VAL 22 HB VAL 22 -2.854 1.513 -9.463 184 HG11 VAL 22 1HG1 VAL 22 -2.812 3.979 -9.387 185 HG12 VAL 22 2HG1 VAL 22 -1.851 3.310 -8.070 186 HG13 VAL 22 3HG1 VAL 22 -3.458 3.963 -7.745 187 HG21 VAL 22 1HG2 VAL 22 -2.441 1.079 -7.075 188 HG22 VAL 22 2HG2 VAL 22 -3.846 0.185 -7.655 189 HG23 VAL 22 3HG2 VAL 22 -4.071 1.640 -6.683 190 H LEU 23 H LEU 23 -4.294 1.230 -11.566 191 HA LEU 23 HA LEU 23 -3.386 3.515 -12.904 192 HB2 LEU 23 2HB LEU 23 -4.394 0.884 -14.050 193 HB3 LEU 23 3HB LEU 23 -3.508 2.089 -14.972 194 HG LEU 23 HG LEU 23 -2.406 0.548 -12.588 195 HD11 LEU 23 1HD1 LEU 23 -1.789 0.194 -15.535 196 HD12 LEU 23 2HD1 LEU 23 -2.710 -0.917 -14.517 197 HD13 LEU 23 3HD1 LEU 23 -0.998 -0.649 -14.197 198 HD21 LEU 23 1HD2 LEU 23 -0.993 2.511 -14.421 199 HD22 LEU 23 2HD2 LEU 23 -0.218 1.517 -13.184 200 HD23 LEU 23 3HD2 LEU 23 -1.380 2.754 -12.715 201 H LYS 24 H LYS 24 -6.565 1.853 -13.093 202 HA LYS 24 HA LYS 24 -7.675 3.622 -15.066 203 HB2 LYS 24 2HB LYS 24 -9.236 1.877 -13.105 204 HB3 LYS 24 3HB LYS 24 -9.836 2.569 -14.607 205 HG2 LYS 24 2HG LYS 24 -7.808 0.355 -14.284 206 HG3 LYS 24 3HG LYS 24 -9.430 0.237 -14.960 207 HD2 LYS 24 2HD LYS 24 -8.723 1.656 -16.870 208 HD3 LYS 24 3HD LYS 24 -7.093 1.745 -16.196 209 HE2 LYS 24 2HE LYS 24 -8.513 -0.748 -17.187 210 HE3 LYS 24 3HE LYS 24 -7.146 0.061 -17.947 211 HZ1 LYS 24 1HZ LYS 24 -7.133 -1.323 -15.324 212 HZ2 LYS 24 2HZ LYS 24 -5.821 -0.470 -15.965 213 HZ3 LYS 24 3HZ LYS 24 -6.389 -1.856 -16.748 214 H SER 25 H SER 25 -7.858 3.471 -11.520 215 HA SER 25 HA SER 25 -9.791 5.438 -11.041 216 HB2 SER 25 2HB SER 25 -7.417 4.628 -9.309 217 HB3 SER 25 3HB SER 25 -8.829 5.532 -8.743 218 HG SER 25 HG SER 25 -8.560 2.956 -8.789 219 H ASP 26 H ASP 26 -6.268 5.732 -11.388 220 HA ASP 26 HA ASP 26 -6.403 8.362 -12.447 221 HB2 ASP 26 2HB ASP 26 -6.702 8.865 -9.967 222 HB3 ASP 26 3HB ASP 26 -5.112 8.175 -9.680 223 HA PRO 27 HA PRO 27 -2.703 6.219 -13.994 224 HB2 PRO 27 2HB PRO 27 -2.048 7.954 -16.008 225 HB3 PRO 27 3HB PRO 27 -3.447 6.867 -16.110 226 HG2 PRO 27 2HG PRO 27 -3.392 9.774 -15.343 227 HG3 PRO 27 3HG PRO 27 -4.478 8.936 -16.479 228 HD2 PRO 27 2HD PRO 27 -5.232 9.490 -13.932 229 HD3 PRO 27 3HD PRO 27 -5.780 8.023 -14.774 230 H ASN 28 H ASN 28 -2.717 9.553 -12.851 231 HA ASN 28 HA ASN 28 0.147 9.946 -13.050 232 HB2 ASN 28 2HB ASN 28 -1.934 11.685 -11.649 233 HB3 ASN 28 3HB ASN 28 -0.263 12.139 -11.995 234 HD21 ASN 28 1HD2 ASN 28 0.346 12.509 -14.186 235 HD22 ASN 28 2HD2 ASN 28 -0.835 12.861 -15.396 236 H VAL 29 H VAL 29 -1.992 8.647 -10.646 237 HA VAL 29 HA VAL 29 -0.298 8.857 -8.381 238 HB VAL 29 HB VAL 29 -2.251 6.596 -9.054 239 HG11 VAL 29 1HG1 VAL 29 -2.247 6.102 -6.624 240 HG12 VAL 29 2HG1 VAL 29 -1.016 7.340 -6.368 241 HG13 VAL 29 3HG1 VAL 29 -0.636 5.905 -7.319 242 HG21 VAL 29 1HG2 VAL 29 -3.854 7.786 -7.603 243 HG22 VAL 29 2HG2 VAL 29 -3.362 8.795 -8.963 244 HG23 VAL 29 3HG2 VAL 29 -2.685 9.085 -7.363 245 H LYS 30 H LYS 30 1.727 8.209 -8.329 246 HA LYS 30 HA LYS 30 3.037 6.580 -10.203 247 HB2 LYS 30 2HB LYS 30 4.114 8.360 -8.797 248 HB3 LYS 30 3HB LYS 30 3.932 7.332 -7.382 249 HG2 LYS 30 2HG LYS 30 6.222 7.236 -8.183 250 HG3 LYS 30 3HG LYS 30 5.457 5.661 -8.418 251 HD2 LYS 30 2HD LYS 30 5.085 6.208 -10.810 252 HD3 LYS 30 3HD LYS 30 5.849 7.780 -10.569 253 HE2 LYS 30 2HE LYS 30 7.976 6.660 -10.003 254 HE3 LYS 30 3HE LYS 30 7.206 5.087 -10.217 255 HZ1 LYS 30 1HZ LYS 30 8.474 5.733 -12.169 256 HZ2 LYS 30 2HZ LYS 30 7.541 7.136 -12.348 257 HZ3 LYS 30 3HZ LYS 30 6.827 5.615 -12.542 258 H THR 31 H THR 31 3.431 4.391 -10.259 259 HA THR 31 HA THR 31 2.643 2.723 -7.926 260 HB THR 31 HB THR 31 1.984 0.962 -9.645 261 HG1 THR 31 HG1 THR 31 1.622 2.946 -11.579 262 HG21 THR 31 1HG2 THR 31 -0.228 1.922 -10.148 263 HG22 THR 31 2HG2 THR 31 0.362 3.536 -9.753 264 HG23 THR 31 3HG2 THR 31 0.244 2.308 -8.491 265 H VAL 32 H VAL 32 4.050 1.239 -7.301 266 HA VAL 32 HA VAL 32 6.350 0.402 -8.951 267 HB VAL 32 HB VAL 32 6.521 1.482 -6.074 268 HG11 VAL 32 1HG1 VAL 32 7.906 -0.534 -6.250 269 HG12 VAL 32 2HG1 VAL 32 8.916 0.899 -6.094 270 HG13 VAL 32 3HG1 VAL 32 8.728 0.125 -7.668 271 HG21 VAL 32 1HG2 VAL 32 8.136 3.125 -6.970 272 HG22 VAL 32 2HG2 VAL 32 6.569 3.271 -7.764 273 HG23 VAL 32 3HG2 VAL 32 7.906 2.477 -8.597 274 H ARG 33 H ARG 33 6.455 -1.831 -8.874 275 HA ARG 33 HA ARG 33 5.257 -3.220 -6.536 276 HB2 ARG 33 2HB ARG 33 3.898 -3.472 -8.648 277 HB3 ARG 33 3HB ARG 33 5.289 -4.227 -9.422 278 HG2 ARG 33 2HG ARG 33 5.200 -6.089 -7.830 279 HG3 ARG 33 3HG ARG 33 3.874 -5.317 -6.966 280 HD2 ARG 33 2HD ARG 33 2.935 -7.036 -8.347 281 HD3 ARG 33 3HD ARG 33 2.497 -5.494 -9.089 282 HE ARG 33 HE ARG 33 4.778 -6.132 -10.366 283 HH11 ARG 33 1HH1 ARG 33 1.810 -7.988 -9.877 284 HH12 ARG 33 2HH1 ARG 33 2.014 -8.899 -11.338 285 HH21 ARG 33 1HH2 ARG 33 5.066 -7.384 -12.200 286 HH22 ARG 33 2HH2 ARG 33 3.869 -8.553 -12.659 287 H THR 34 H THR 34 7.306 -3.084 -5.574 288 HA THR 34 HA THR 34 9.134 -5.253 -6.398 289 HB THR 34 HB THR 34 10.326 -3.123 -6.715 290 HG1 THR 34 HG1 THR 34 11.850 -4.436 -6.050 291 HG21 THR 34 1HG2 THR 34 9.835 -2.546 -3.771 292 HG22 THR 34 2HG2 THR 34 9.084 -1.694 -5.119 293 HG23 THR 34 3HG2 THR 34 10.826 -1.586 -4.874 294 H ASP 35 H ASP 35 9.742 -6.679 -4.752 295 HA ASP 35 HA ASP 35 8.396 -6.397 -2.141 296 HB2 ASP 35 2HB ASP 35 8.948 -8.753 -1.739 297 HB3 ASP 35 3HB ASP 35 8.127 -8.576 -3.281 298 H ASP 36 H ASP 36 11.246 -5.461 -3.492 299 HA ASP 36 HA ASP 36 13.088 -6.053 -1.334 300 HB2 ASP 36 2HB ASP 36 13.770 -5.791 -3.777 301 HB3 ASP 36 3HB ASP 36 13.419 -4.071 -3.643 302 H LYS 37 H LYS 37 12.679 -5.063 0.561 303 HA LYS 37 HA LYS 37 11.062 -2.811 0.943 304 HB2 LYS 37 2HB LYS 37 11.569 -2.905 3.293 305 HB3 LYS 37 3HB LYS 37 11.478 -4.553 2.706 306 HG2 LYS 37 2HG LYS 37 14.088 -3.084 3.169 307 HG3 LYS 37 3HG LYS 37 13.304 -4.089 4.387 308 HD2 LYS 37 2HD LYS 37 13.507 -6.050 2.902 309 HD3 LYS 37 3HD LYS 37 14.266 -5.042 1.668 310 HE2 LYS 37 2HE LYS 37 16.175 -4.626 3.158 311 HE3 LYS 37 3HE LYS 37 15.411 -5.578 4.433 312 HZ1 LYS 37 1HZ LYS 37 15.447 -7.483 2.836 313 HZ2 LYS 37 2HZ LYS 37 16.969 -6.968 3.357 314 HZ3 LYS 37 3HZ LYS 37 16.419 -6.546 1.816 315 H GLU 38 H GLU 38 14.523 -3.016 0.472 316 HA GLU 38 HA GLU 38 15.240 -0.429 1.446 317 HB2 GLU 38 2HB GLU 38 16.701 -2.164 -0.593 318 HB3 GLU 38 3HB GLU 38 17.396 -0.833 0.324 319 HG2 GLU 38 2HG GLU 38 16.355 -3.417 1.510 320 HG3 GLU 38 3HG GLU 38 18.049 -3.047 1.199 321 H LYS 39 H LYS 39 14.422 -1.744 -1.741 322 HA LYS 39 HA LYS 39 14.989 0.543 -3.292 323 HB2 LYS 39 2HB LYS 39 14.724 -1.761 -4.240 324 HB3 LYS 39 3HB LYS 39 12.995 -1.698 -3.897 325 HG2 LYS 39 2HG LYS 39 13.447 -1.234 -6.269 326 HG3 LYS 39 3HG LYS 39 12.732 0.174 -5.478 327 HD2 LYS 39 2HD LYS 39 15.078 1.122 -5.229 328 HD3 LYS 39 3HD LYS 39 15.665 -0.225 -6.206 329 HE2 LYS 39 2HE LYS 39 13.657 1.867 -7.108 330 HE3 LYS 39 3HE LYS 39 15.365 1.824 -7.543 331 HZ1 LYS 39 1HZ LYS 39 15.020 -0.223 -8.704 332 HZ2 LYS 39 2HZ LYS 39 13.894 0.907 -9.263 333 HZ3 LYS 39 3HZ LYS 39 13.414 -0.312 -8.195 334 H VAL 40 H VAL 40 12.015 -0.630 -1.749 335 HA VAL 40 HA VAL 40 10.112 1.147 -2.668 336 HB VAL 40 HB VAL 40 10.328 -0.003 0.154 337 HG11 VAL 40 1HG1 VAL 40 7.855 0.308 0.255 338 HG12 VAL 40 2HG1 VAL 40 7.919 1.174 -1.279 339 HG13 VAL 40 3HG1 VAL 40 8.731 1.836 0.139 340 HG21 VAL 40 1HG2 VAL 40 10.335 -1.772 -1.557 341 HG22 VAL 40 2HG2 VAL 40 8.865 -1.114 -2.273 342 HG23 VAL 40 3HG2 VAL 40 8.826 -1.796 -0.645 343 H LYS 41 H LYS 41 12.368 1.555 0.032 344 HA LYS 41 HA LYS 41 11.370 3.937 1.153 345 HB2 LYS 41 2HB LYS 41 14.203 2.831 1.154 346 HB3 LYS 41 3HB LYS 41 13.611 4.087 2.243 347 HG2 LYS 41 2HG LYS 41 12.058 2.548 3.278 348 HG3 LYS 41 3HG LYS 41 12.455 1.292 2.100 349 HD2 LYS 41 2HD LYS 41 14.828 1.339 2.971 350 HD3 LYS 41 3HD LYS 41 14.280 2.433 4.247 351 HE2 LYS 41 2HE LYS 41 12.686 0.708 5.027 352 HE3 LYS 41 3HE LYS 41 13.251 -0.378 3.754 353 HZ1 LYS 41 1HZ LYS 41 15.423 -0.416 4.749 354 HZ2 LYS 41 2HZ LYS 41 14.263 -0.820 5.912 355 HZ3 LYS 41 3HZ LYS 41 14.955 0.715 5.918 356 H GLU 42 H GLU 42 13.779 3.398 -1.377 357 HA GLU 42 HA GLU 42 14.535 6.111 -1.784 358 HB2 GLU 42 2HB GLU 42 14.568 3.884 -3.869 359 HB3 GLU 42 3HB GLU 42 15.558 5.334 -3.855 360 HG2 GLU 42 2HG GLU 42 15.767 2.957 -1.994 361 HG3 GLU 42 3HG GLU 42 16.919 3.443 -3.233 362 H GLU 43 H GLU 43 12.043 3.995 -3.198 363 HA GLU 43 HA GLU 43 11.075 5.742 -5.210 364 HB2 GLU 43 2HB GLU 43 9.508 3.542 -3.809 365 HB3 GLU 43 3HB GLU 43 9.154 4.231 -5.387 366 HG2 GLU 43 2HG GLU 43 11.624 2.629 -4.705 367 HG3 GLU 43 3HG GLU 43 10.197 1.987 -5.496 368 H ILE 44 H ILE 44 10.269 5.413 -1.810 369 HA ILE 44 HA ILE 44 7.884 6.940 -1.708 370 HB ILE 44 HB ILE 44 9.987 6.313 0.423 371 HG12 ILE 44 2HG1 ILE 44 7.166 5.206 0.001 372 HG13 ILE 44 3HG1 ILE 44 8.645 4.385 -0.470 373 HG21 ILE 44 1HG2 ILE 44 7.300 7.656 0.894 374 HG22 ILE 44 2HG2 ILE 44 8.883 8.409 1.095 375 HG23 ILE 44 3HG2 ILE 44 8.399 7.083 2.153 376 HD11 ILE 44 1HD1 ILE 44 7.766 5.021 2.339 377 HD12 ILE 44 2HD1 ILE 44 9.296 4.257 1.903 378 HD13 ILE 44 3HD1 ILE 44 7.773 3.440 1.557 379 H GLU 45 H GLU 45 11.322 7.833 -1.269 380 HA GLU 45 HA GLU 45 10.932 10.645 -0.961 381 HB2 GLU 45 2HB GLU 45 13.380 9.058 -1.823 382 HB3 GLU 45 3HB GLU 45 13.399 10.797 -1.528 383 HG2 GLU 45 2HG GLU 45 12.808 10.456 0.808 384 HG3 GLU 45 3HG GLU 45 12.649 8.720 0.545 385 H LYS 46 H LYS 46 11.391 8.553 -3.806 386 HA LYS 46 HA LYS 46 11.899 10.515 -5.756 387 HB2 LYS 46 2HB LYS 46 10.412 7.868 -6.078 388 HB3 LYS 46 3HB LYS 46 10.926 8.874 -7.427 389 HG2 LYS 46 2HG LYS 46 12.729 7.505 -5.426 390 HG3 LYS 46 3HG LYS 46 12.449 6.992 -7.081 391 HD2 LYS 46 2HD LYS 46 13.778 9.600 -6.257 392 HD3 LYS 46 3HD LYS 46 14.618 8.142 -6.782 393 HE2 LYS 46 2HE LYS 46 13.565 8.302 -8.993 394 HE3 LYS 46 3HE LYS 46 12.677 9.740 -8.481 395 HZ1 LYS 46 1HZ LYS 46 14.606 10.377 -9.730 396 HZ2 LYS 46 2HZ LYS 46 15.628 9.482 -8.718 397 HZ3 LYS 46 3HZ LYS 46 14.826 10.846 -8.118 398 H ALA 47 H ALA 47 8.775 8.943 -5.002 399 HA ALA 47 HA ALA 47 7.190 10.657 -6.614 400 HB1 ALA 47 1HB ALA 47 6.516 8.373 -6.011 401 HB2 ALA 47 2HB ALA 47 5.273 9.542 -5.567 402 HB3 ALA 47 3HB ALA 47 6.330 8.858 -4.326 403 H ARG 48 H ARG 48 8.207 10.852 -3.250 404 HA ARG 48 HA ARG 48 6.476 12.864 -2.295 405 HB2 ARG 48 2HB ARG 48 8.029 11.573 -0.840 406 HB3 ARG 48 3HB ARG 48 9.405 12.385 -1.575 407 HG2 ARG 48 2HG ARG 48 8.617 14.544 -0.656 408 HG3 ARG 48 3HG ARG 48 7.234 13.728 0.071 409 HD2 ARG 48 2HD ARG 48 8.811 12.372 1.463 410 HD3 ARG 48 3HD ARG 48 10.160 13.288 0.771 411 HE ARG 48 HE ARG 48 8.284 15.099 1.819 412 HH11 ARG 48 1HH1 ARG 48 10.605 12.730 3.036 413 HH12 ARG 48 2HH1 ARG 48 10.819 13.563 4.544 414 HH21 ARG 48 1HH2 ARG 48 8.545 16.143 3.782 415 HH22 ARG 48 2HH2 ARG 48 9.642 15.511 4.972 416 H LYS 49 H LYS 49 9.678 13.106 -3.853 417 HA LYS 49 HA LYS 49 9.771 15.972 -3.900 418 HB2 LYS 49 2HB LYS 49 11.448 13.889 -5.366 419 HB3 LYS 49 3HB LYS 49 11.775 15.621 -5.408 420 HG2 LYS 49 2HG LYS 49 12.138 15.634 -2.973 421 HG3 LYS 49 3HG LYS 49 11.789 13.904 -2.904 422 HD2 LYS 49 2HD LYS 49 13.761 13.445 -4.338 423 HD3 LYS 49 3HD LYS 49 14.102 15.176 -4.427 424 HE2 LYS 49 2HE LYS 49 14.395 15.200 -1.942 425 HE3 LYS 49 3HE LYS 49 14.167 13.449 -1.930 426 HZ1 LYS 49 1HZ LYS 49 16.499 14.087 -1.893 427 HZ2 LYS 49 2HZ LYS 49 16.330 14.885 -3.372 428 HZ3 LYS 49 3HZ LYS 49 16.134 13.207 -3.290 429 H GLN 50 H GLN 50 8.825 13.477 -6.208 430 HA GLN 50 HA GLN 50 8.523 15.102 -8.525 431 HB2 GLN 50 2HB GLN 50 7.236 12.450 -7.760 432 HB3 GLN 50 3HB GLN 50 7.064 13.195 -9.345 433 HG2 GLN 50 2HG GLN 50 9.411 12.920 -9.811 434 HG3 GLN 50 3HG GLN 50 9.733 12.386 -8.163 435 HE21 GLN 50 1HE2 GLN 50 10.311 10.975 -10.633 436 HE22 GLN 50 2HE2 GLN 50 9.458 9.476 -10.566 437 H GLY 51 H GLY 51 6.487 14.448 -5.757 438 HA2 GLY 51 2HA GLY 51 4.664 15.594 -4.959 439 HA3 GLY 51 3HA GLY 51 4.723 16.650 -6.358 440 H ARG 52 H ARG 52 4.172 13.179 -5.774 441 HA ARG 52 HA ARG 52 1.368 13.359 -6.420 442 HB2 ARG 52 2HB ARG 52 1.465 11.490 -8.165 443 HB3 ARG 52 3HB ARG 52 2.005 13.064 -8.704 444 HG2 ARG 52 2HG ARG 52 4.197 11.303 -7.727 445 HG3 ARG 52 3HG ARG 52 3.354 10.711 -9.158 446 HD2 ARG 52 2HD ARG 52 4.671 13.426 -8.861 447 HD3 ARG 52 3HD ARG 52 5.313 12.046 -9.753 448 HE ARG 52 HE ARG 52 3.249 12.265 -11.188 449 HH11 ARG 52 1HH1 ARG 52 4.637 15.096 -9.616 450 HH12 ARG 52 2HH1 ARG 52 4.029 16.200 -10.807 451 HH21 ARG 52 1HH2 ARG 52 2.494 13.729 -12.758 452 HH22 ARG 52 2HH2 ARG 52 2.818 15.426 -12.584 453 HA PRO 53 HA PRO 53 1.269 9.987 -3.429 454 HB2 PRO 53 2HB PRO 53 -1.013 8.633 -4.244 455 HB3 PRO 53 3HB PRO 53 -1.053 10.154 -3.333 456 HG2 PRO 53 2HG PRO 53 -1.329 9.739 -6.295 457 HG3 PRO 53 3HG PRO 53 -2.301 10.760 -5.206 458 HD2 PRO 53 2HD PRO 53 -0.378 11.847 -6.726 459 HD3 PRO 53 3HD PRO 53 -0.655 12.417 -5.065 460 H ILE 54 H ILE 54 1.813 7.772 -3.272 461 HA ILE 54 HA ILE 54 2.368 6.318 -5.776 462 HB ILE 54 HB ILE 54 4.468 7.327 -4.953 463 HG12 ILE 54 2HG1 ILE 54 4.531 4.304 -4.551 464 HG13 ILE 54 3HG1 ILE 54 4.467 5.085 -6.126 465 HG21 ILE 54 1HG2 ILE 54 3.991 7.456 -2.544 466 HG22 ILE 54 2HG2 ILE 54 5.531 6.650 -2.837 467 HG23 ILE 54 3HG2 ILE 54 4.107 5.699 -2.413 468 HD11 ILE 54 1HD1 ILE 54 6.712 4.381 -5.592 469 HD12 ILE 54 2HD1 ILE 54 6.701 5.339 -4.113 470 HD13 ILE 54 3HD1 ILE 54 6.634 6.140 -5.688 471 H VAL 55 H VAL 55 1.929 4.167 -5.734 472 HA VAL 55 HA VAL 55 0.933 2.938 -3.226 473 HB VAL 55 HB VAL 55 0.020 2.245 -6.076 474 HG11 VAL 55 1HG1 VAL 55 -1.024 1.295 -3.376 475 HG12 VAL 55 2HG1 VAL 55 -0.082 0.338 -4.524 476 HG13 VAL 55 3HG1 VAL 55 -1.705 0.878 -4.952 477 HG21 VAL 55 1HG2 VAL 55 -0.835 4.471 -5.452 478 HG22 VAL 55 2HG2 VAL 55 -1.498 3.818 -3.953 479 HG23 VAL 55 3HG2 VAL 55 -2.145 3.290 -5.509 480 H ILE 56 H ILE 56 2.323 1.472 -2.553 481 HA ILE 56 HA ILE 56 4.281 0.222 -4.374 482 HB ILE 56 HB ILE 56 4.227 0.251 -1.313 483 HG12 ILE 56 2HG1 ILE 56 4.628 2.540 -2.309 484 HG13 ILE 56 3HG1 ILE 56 5.974 1.939 -1.354 485 HG21 ILE 56 1HG2 ILE 56 6.421 -0.654 -3.222 486 HG22 ILE 56 2HG2 ILE 56 5.399 -1.708 -2.242 487 HG23 ILE 56 3HG2 ILE 56 6.533 -0.608 -1.463 488 HD11 ILE 56 1HD1 ILE 56 6.743 3.076 -3.353 489 HD12 ILE 56 2HD1 ILE 56 5.822 1.968 -4.369 490 HD13 ILE 56 3HD1 ILE 56 7.179 1.368 -3.412 491 H PHE 57 H PHE 57 3.890 -1.843 -4.958 492 HA PHE 57 HA PHE 57 2.052 -3.545 -3.385 493 HB2 PHE 57 2HB PHE 57 3.027 -3.847 -6.262 494 HB3 PHE 57 3HB PHE 57 1.880 -4.903 -5.453 495 HD1 PHE 57 HD1 PHE 57 -0.444 -4.227 -5.139 496 HD2 PHE 57 HD2 PHE 57 2.362 -1.578 -6.992 497 HE1 PHE 57 HE1 PHE 57 -2.289 -2.809 -5.927 498 HE2 PHE 57 HE2 PHE 57 0.505 -0.167 -7.772 499 HZ PHE 57 HZ PHE 57 -1.813 -0.786 -7.236 500 H ILE 58 H ILE 58 3.280 -4.576 -1.910 501 HA ILE 58 HA ILE 58 5.988 -5.537 -2.558 502 HB ILE 58 HB ILE 58 4.729 -5.719 0.216 503 HG12 ILE 58 2HG1 ILE 58 6.224 -3.252 -0.790 504 HG13 ILE 58 3HG1 ILE 58 4.477 -3.333 -0.609 505 HG21 ILE 58 1HG2 ILE 58 6.870 -6.897 -0.178 506 HG22 ILE 58 2HG2 ILE 58 7.084 -5.576 0.969 507 HG23 ILE 58 3HG2 ILE 58 7.620 -5.385 -0.700 508 HD11 ILE 58 1HD1 ILE 58 4.719 -3.674 1.783 509 HD12 ILE 58 2HD1 ILE 58 5.531 -2.200 1.257 510 HD13 ILE 58 3HD1 ILE 58 6.477 -3.641 1.621 511 H ARG 59 H ARG 59 6.061 -7.578 -3.313 512 HA ARG 59 HA ARG 59 3.926 -9.481 -2.948 513 HB2 ARG 59 2HB ARG 59 5.273 -9.355 -5.054 514 HB3 ARG 59 3HB ARG 59 6.703 -9.877 -4.169 515 HG2 ARG 59 2HG ARG 59 5.678 -12.037 -3.706 516 HG3 ARG 59 3HG ARG 59 4.168 -11.519 -4.448 517 HD2 ARG 59 2HD ARG 59 5.354 -11.338 -6.638 518 HD3 ARG 59 3HD ARG 59 6.819 -11.955 -5.858 519 HE ARG 59 HE ARG 59 4.889 -13.812 -5.262 520 HH11 ARG 59 1HH1 ARG 59 6.198 -12.554 -8.281 521 HH12 ARG 59 2HH1 ARG 59 5.888 -14.016 -9.158 522 HH21 ARG 59 1HH2 ARG 59 4.469 -15.716 -6.427 523 HH22 ARG 59 2HH2 ARG 59 4.908 -15.811 -8.107 524 H GLY 60 H GLY 60 3.673 -10.676 -1.174 525 HA2 GLY 60 2HA GLY 60 4.024 -12.022 0.635 526 HA3 GLY 60 3HA GLY 60 5.510 -12.508 -0.156 527 H ALA 61 H ALA 61 4.462 -9.419 1.339 528 HA ALA 61 HA ALA 61 7.051 -8.913 2.468 529 HB1 ALA 61 1HB ALA 61 4.429 -7.500 3.053 530 HB2 ALA 61 2HB ALA 61 5.513 -7.109 1.725 531 HB3 ALA 61 3HB ALA 61 6.051 -6.890 3.390 532 H THR 62 H THR 62 7.815 -9.944 4.238 533 HA THR 62 HA THR 62 6.158 -11.065 6.311 534 HB THR 62 HB THR 62 8.416 -12.016 5.775 535 HG1 THR 62 HG1 THR 62 7.465 -12.366 7.858 536 HG21 THR 62 1HG2 THR 62 9.682 -9.923 5.409 537 HG22 THR 62 2HG2 THR 62 10.459 -10.919 6.637 538 HG23 THR 62 3HG2 THR 62 9.514 -9.509 7.117 539 H GLU 63 H GLU 63 6.565 -10.425 8.647 540 HA GLU 63 HA GLU 63 5.461 -7.989 9.280 541 HB2 GLU 63 2HB GLU 63 7.341 -9.579 11.082 542 HB3 GLU 63 3HB GLU 63 6.115 -8.431 11.609 543 HG2 GLU 63 2HG GLU 63 4.344 -9.905 10.773 544 HG3 GLU 63 3HG GLU 63 5.554 -11.045 10.190 545 H GLU 64 H GLU 64 8.897 -8.849 9.246 546 HA GLU 64 HA GLU 64 9.908 -6.402 10.263 547 HB2 GLU 64 2HB GLU 64 11.262 -8.663 8.746 548 HB3 GLU 64 3HB GLU 64 12.141 -7.293 9.419 549 HG2 GLU 64 2HG GLU 64 10.456 -9.228 11.032 550 HG3 GLU 64 3HG GLU 64 12.206 -9.305 10.873 551 H VAL 65 H VAL 65 9.204 -7.448 6.960 552 HA VAL 65 HA VAL 65 10.489 -5.213 5.682 553 HB VAL 65 HB VAL 65 8.475 -7.288 4.689 554 HG11 VAL 65 1HG1 VAL 65 9.733 -5.081 3.010 555 HG12 VAL 65 2HG1 VAL 65 8.020 -5.256 3.397 556 HG13 VAL 65 3HG1 VAL 65 8.817 -6.456 2.383 557 HG21 VAL 65 1HG2 VAL 65 11.419 -6.864 4.018 558 HG22 VAL 65 2HG2 VAL 65 10.386 -8.145 3.377 559 HG23 VAL 65 3HG2 VAL 65 10.774 -8.102 5.097 560 H VAL 66 H VAL 66 7.131 -5.949 6.710 561 HA VAL 66 HA VAL 66 5.871 -3.756 5.452 562 HB VAL 66 HB VAL 66 4.893 -5.256 7.923 563 HG11 VAL 66 1HG1 VAL 66 3.349 -3.533 5.938 564 HG12 VAL 66 2HG1 VAL 66 3.698 -3.135 7.621 565 HG13 VAL 66 3HG1 VAL 66 2.631 -4.483 7.242 566 HG21 VAL 66 1HG2 VAL 66 5.310 -6.807 6.047 567 HG22 VAL 66 2HG2 VAL 66 4.282 -5.834 4.995 568 HG23 VAL 66 3HG2 VAL 66 3.585 -6.669 6.386 569 H ARG 67 H ARG 67 6.550 -4.193 8.981 570 HA ARG 67 HA ARG 67 5.769 -1.639 9.802 571 HB2 ARG 67 2HB ARG 67 6.958 -2.107 11.938 572 HB3 ARG 67 3HB ARG 67 5.993 -3.468 11.400 573 HG2 ARG 67 2HG ARG 67 7.901 -4.553 12.142 574 HG3 ARG 67 3HG ARG 67 8.258 -4.384 10.429 575 HD2 ARG 67 2HD ARG 67 9.652 -2.355 10.991 576 HD3 ARG 67 3HD ARG 67 9.371 -2.690 12.699 577 HE ARG 67 HE ARG 67 10.429 -5.002 11.983 578 HH11 ARG 67 1HH1 ARG 67 11.481 -1.753 11.061 579 HH12 ARG 67 2HH1 ARG 67 13.141 -2.216 10.893 580 HH21 ARG 67 1HH2 ARG 67 12.617 -5.555 11.795 581 HH22 ARG 67 2HH2 ARG 67 13.781 -4.362 11.310 582 H ASP 68 H ASP 68 8.772 -2.686 8.457 583 HA ASP 68 HA ASP 68 10.502 -0.583 9.278 584 HB2 ASP 68 2HB ASP 68 11.303 -2.785 8.675 585 HB3 ASP 68 3HB ASP 68 10.572 -2.684 7.083 586 H ILE 69 H ILE 69 8.769 -1.258 6.240 587 HA ILE 69 HA ILE 69 9.542 1.134 4.866 588 HB ILE 69 HB ILE 69 7.291 -0.863 4.386 589 HG12 ILE 69 2HG1 ILE 69 9.969 -0.526 2.945 590 HG13 ILE 69 3HG1 ILE 69 9.629 -1.748 4.166 591 HG21 ILE 69 1HG2 ILE 69 8.194 1.368 2.535 592 HG22 ILE 69 2HG2 ILE 69 6.636 1.256 3.355 593 HG23 ILE 69 3HG2 ILE 69 7.061 0.083 2.111 594 HD11 ILE 69 1HD1 ILE 69 8.314 -1.514 1.466 595 HD12 ILE 69 2HD1 ILE 69 7.901 -2.701 2.706 596 HD13 ILE 69 3HD1 ILE 69 9.502 -2.713 1.975 597 H VAL 70 H VAL 70 6.756 0.243 6.872 598 HA VAL 70 HA VAL 70 5.100 2.462 6.213 599 HB VAL 70 HB VAL 70 5.020 0.587 8.615 600 HG11 VAL 70 1HG1 VAL 70 2.918 2.637 7.793 601 HG12 VAL 70 2HG1 VAL 70 3.953 2.740 9.219 602 HG13 VAL 70 3HG1 VAL 70 2.761 1.452 9.092 603 HG21 VAL 70 1HG2 VAL 70 4.586 -0.481 6.414 604 HG22 VAL 70 2HG2 VAL 70 3.291 0.678 6.105 605 HG23 VAL 70 3HG2 VAL 70 3.140 -0.481 7.427 606 H GLU 71 H GLU 71 7.190 1.818 9.096 607 HA GLU 71 HA GLU 71 6.715 4.307 10.351 608 HB2 GLU 71 2HB GLU 71 8.556 3.813 11.849 609 HB3 GLU 71 3HB GLU 71 7.633 2.353 11.565 610 HG2 GLU 71 2HG GLU 71 9.846 1.610 11.585 611 HG3 GLU 71 3HG GLU 71 9.458 1.716 9.872 612 H TYR 72 H TYR 72 8.929 3.358 7.848 613 HA TYR 72 HA TYR 72 10.628 5.582 7.757 614 HB2 TYR 72 2HB TYR 72 11.042 3.483 6.499 615 HB3 TYR 72 3HB TYR 72 9.658 3.812 5.467 616 HD1 TYR 72 HD1 TYR 72 13.150 4.684 6.196 617 HD2 TYR 72 HD2 TYR 72 9.773 5.599 3.736 618 HE1 TYR 72 HE1 TYR 72 14.587 5.972 4.682 619 HE2 TYR 72 HE2 TYR 72 11.220 6.881 2.226 620 HH TYR 72 HH TYR 72 13.306 7.927 2.156 621 H ALA 73 H ALA 73 7.651 4.946 5.852 622 HA ALA 73 HA ALA 73 7.574 7.516 4.613 623 HB1 ALA 73 1HB ALA 73 5.383 6.799 3.763 624 HB2 ALA 73 2HB ALA 73 5.379 5.443 4.893 625 HB3 ALA 73 3HB ALA 73 6.577 5.511 3.604 626 H GLN 74 H GLN 74 6.408 6.330 7.663 627 HA GLN 74 HA GLN 74 4.672 8.539 8.293 628 HB2 GLN 74 2HB GLN 74 5.970 6.395 10.021 629 HB3 GLN 74 3HB GLN 74 4.855 7.596 10.659 630 HG2 GLN 74 2HG GLN 74 4.089 5.715 8.412 631 HG3 GLN 74 3HG GLN 74 3.894 5.287 10.108 632 HE21 GLN 74 1HE2 GLN 74 2.169 6.131 11.235 633 HE22 GLN 74 2HE2 GLN 74 0.956 7.146 10.542 634 H LYS 75 H LYS 75 8.149 7.840 8.751 635 HA LYS 75 HA LYS 75 8.704 10.246 10.259 636 HB2 LYS 75 2HB LYS 75 10.608 8.423 8.739 637 HB3 LYS 75 3HB LYS 75 11.128 9.816 9.682 638 HG2 LYS 75 2HG LYS 75 10.026 8.681 11.701 639 HG3 LYS 75 3HG LYS 75 9.907 7.237 10.696 640 HD2 LYS 75 2HD LYS 75 12.438 8.665 11.593 641 HD3 LYS 75 3HD LYS 75 11.913 7.041 12.036 642 HE2 LYS 75 2HE LYS 75 12.811 7.943 9.275 643 HE3 LYS 75 3HE LYS 75 13.738 6.960 10.399 644 HZ1 LYS 75 1HZ LYS 75 12.212 5.181 10.168 645 HZ2 LYS 75 2HZ LYS 75 12.631 5.694 8.610 646 HZ3 LYS 75 3HZ LYS 75 11.135 6.123 9.269 647 H GLU 76 H GLU 76 8.481 9.432 6.859 648 HA GLU 76 HA GLU 76 9.536 11.878 5.811 649 HB2 GLU 76 2HB GLU 76 7.539 9.914 4.609 650 HB3 GLU 76 3HB GLU 76 8.316 11.219 3.728 651 HG2 GLU 76 2HG GLU 76 9.737 8.847 4.963 652 HG3 GLU 76 3HG GLU 76 9.339 9.035 3.256 653 H GLY 77 H GLY 77 6.586 10.996 7.366 654 HA2 GLY 77 2HA GLY 77 4.799 12.260 8.086 655 HA3 GLY 77 3HA GLY 77 5.510 13.672 7.314 656 H LEU 78 H LEU 78 5.147 10.873 5.363 657 HA LEU 78 HA LEU 78 3.090 12.143 3.726 658 HB2 LEU 78 2HB LEU 78 4.579 9.524 3.268 659 HB3 LEU 78 3HB LEU 78 3.615 10.396 2.085 660 HG LEU 78 HG LEU 78 6.299 11.230 3.235 661 HD11 LEU 78 1HD1 LEU 78 7.104 11.065 0.928 662 HD12 LEU 78 2HD1 LEU 78 5.508 10.533 0.397 663 HD13 LEU 78 3HD1 LEU 78 6.454 9.527 1.495 664 HD21 LEU 78 1HD2 LEU 78 6.201 13.227 1.797 665 HD22 LEU 78 2HD2 LEU 78 4.952 13.243 3.038 666 HD23 LEU 78 3HD2 LEU 78 4.532 12.835 1.373 667 H ARG 79 H ARG 79 1.021 11.246 3.383 668 HA ARG 79 HA ARG 79 -0.071 9.872 5.617 669 HB2 ARG 79 2HB ARG 79 -1.387 11.556 4.437 670 HB3 ARG 79 3HB ARG 79 -1.336 10.617 2.955 671 HG2 ARG 79 2HG ARG 79 -3.520 10.436 4.018 672 HG3 ARG 79 3HG ARG 79 -2.729 8.871 3.985 673 HD2 ARG 79 2HD ARG 79 -2.727 10.671 6.425 674 HD3 ARG 79 3HD ARG 79 -3.988 9.479 6.122 675 HE ARG 79 HE ARG 79 -2.132 7.781 6.139 676 HH11 ARG 79 1HH1 ARG 79 -1.873 10.747 8.038 677 HH12 ARG 79 2HH1 ARG 79 -0.787 10.036 9.194 678 HH21 ARG 79 1HH2 ARG 79 -0.694 6.894 7.648 679 HH22 ARG 79 2HH2 ARG 79 -0.120 7.861 8.973 680 H VAL 80 H VAL 80 0.221 7.793 5.966 681 HA VAL 80 HA VAL 80 0.596 5.884 3.763 682 HB VAL 80 HB VAL 80 1.092 5.471 6.752 683 HG11 VAL 80 1HG1 VAL 80 0.657 3.342 5.608 684 HG12 VAL 80 2HG1 VAL 80 2.357 3.447 6.056 685 HG13 VAL 80 3HG1 VAL 80 1.869 3.720 4.381 686 HG21 VAL 80 1HG2 VAL 80 3.501 5.671 6.193 687 HG22 VAL 80 2HG2 VAL 80 2.615 7.160 5.863 688 HG23 VAL 80 3HG2 VAL 80 3.072 6.093 4.533 689 H LEU 81 H LEU 81 -0.961 4.581 3.192 690 HA LEU 81 HA LEU 81 -3.085 3.691 5.084 691 HB2 LEU 81 2HB LEU 81 -3.330 4.086 2.059 692 HB3 LEU 81 3HB LEU 81 -4.562 3.420 3.105 693 HG LEU 81 HG LEU 81 -5.265 5.605 2.507 694 HD11 LEU 81 1HD1 LEU 81 -5.503 6.774 4.604 695 HD12 LEU 81 2HD1 LEU 81 -4.194 5.827 5.315 696 HD13 LEU 81 3HD1 LEU 81 -5.696 5.037 4.830 697 HD21 LEU 81 1HD2 LEU 81 -3.988 7.647 2.812 698 HD22 LEU 81 2HD2 LEU 81 -3.144 6.532 1.740 699 HD23 LEU 81 3HD2 LEU 81 -2.607 6.724 3.412 700 H VAL 82 H VAL 82 -2.905 1.424 5.369 701 HA VAL 82 HA VAL 82 -1.283 -0.042 3.347 702 HB VAL 82 HB VAL 82 -1.625 -0.759 6.297 703 HG11 VAL 82 1HG1 VAL 82 0.139 -2.058 4.190 704 HG12 VAL 82 2HG1 VAL 82 -1.283 -2.776 4.950 705 HG13 VAL 82 3HG1 VAL 82 0.153 -2.436 5.915 706 HG21 VAL 82 1HG2 VAL 82 -0.285 1.262 6.076 707 HG22 VAL 82 2HG2 VAL 82 0.730 0.502 4.856 708 HG23 VAL 82 3HG2 VAL 82 0.766 -0.083 6.515 709 H ILE 83 H ILE 83 -2.448 -1.233 2.047 710 HA ILE 83 HA ILE 83 -4.988 -2.510 2.884 711 HB ILE 83 HB ILE 83 -3.843 -2.266 0.049 712 HG12 ILE 83 2HG1 ILE 83 -5.953 -0.494 1.356 713 HG13 ILE 83 3HG1 ILE 83 -4.302 -0.010 0.992 714 HG21 ILE 83 1HG2 ILE 83 -6.658 -2.971 0.981 715 HG22 ILE 83 2HG2 ILE 83 -5.472 -4.103 0.329 716 HG23 ILE 83 3HG2 ILE 83 -6.133 -2.831 -0.697 717 HD11 ILE 83 1HD1 ILE 83 -6.396 -0.782 -1.033 718 HD12 ILE 83 2HD1 ILE 83 -4.739 -0.274 -1.387 719 HD13 ILE 83 3HD1 ILE 83 -5.867 0.853 -0.637 720 H MET 84 H MET 84 -4.553 -4.541 3.687 721 HA MET 84 HA MET 84 -2.493 -6.218 2.371 722 HB2 MET 84 2HB MET 84 -3.701 -6.281 5.158 723 HB3 MET 84 3HB MET 84 -2.725 -7.600 4.524 724 HG2 MET 84 2HG MET 84 -0.778 -6.249 4.434 725 HG3 MET 84 3HG MET 84 -1.700 -4.762 4.626 726 HE1 MET 84 1HE MET 84 -2.278 -3.669 6.870 727 HE2 MET 84 2HE MET 84 -2.426 -4.555 8.384 728 HE3 MET 84 3HE MET 84 -3.529 -4.903 7.054 729 H VAL 85 H VAL 85 -3.270 -7.624 0.976 730 HA VAL 85 HA VAL 85 -6.013 -8.734 1.245 731 HB VAL 85 HB VAL 85 -4.621 -7.947 -1.370 732 HG11 VAL 85 1HG1 VAL 85 -7.411 -9.090 -0.948 733 HG12 VAL 85 2HG1 VAL 85 -6.026 -9.971 -1.598 734 HG13 VAL 85 3HG1 VAL 85 -6.700 -8.612 -2.493 735 HG21 VAL 85 1HG2 VAL 85 -6.375 -6.231 -1.630 736 HG22 VAL 85 2HG2 VAL 85 -5.425 -5.955 -0.169 737 HG23 VAL 85 3HG2 VAL 85 -7.037 -6.656 -0.049 738 H ASP 86 H ASP 86 -6.150 -10.912 0.912 739 HA ASP 86 HA ASP 86 -4.495 -12.373 -0.874 740 HB2 ASP 86 2HB ASP 86 -3.950 -12.683 2.083 741 HB3 ASP 86 3HB ASP 86 -3.966 -14.154 1.118 742 H GLN 87 H GLN 87 -5.102 -14.941 -0.174 743 HA GLN 87 HA GLN 87 -8.050 -15.093 0.081 744 HB2 GLN 87 2HB GLN 87 -6.010 -17.223 -0.713 745 HB3 GLN 87 3HB GLN 87 -7.759 -17.409 -0.760 746 HG2 GLN 87 2HG GLN 87 -6.187 -15.423 -2.437 747 HG3 GLN 87 3HG GLN 87 -6.750 -16.992 -3.009 748 HE21 GLN 87 1HE2 GLN 87 -7.401 -14.182 -3.894 749 HE22 GLN 87 2HE2 GLN 87 -9.125 -14.101 -3.849 750 H ASP 88 H ASP 88 -5.632 -14.783 2.112 751 HA ASP 88 HA ASP 88 -6.693 -16.564 4.224 752 HB2 ASP 88 2HB ASP 88 -4.491 -17.438 3.571 753 HB3 ASP 88 3HB ASP 88 -3.769 -15.836 3.666 754 H GLN 89 H GLN 89 -6.848 -15.539 6.293 755 HA GLN 89 HA GLN 89 -6.457 -12.603 6.316 756 HB2 GLN 89 2HB GLN 89 -8.830 -13.400 6.487 757 HB3 GLN 89 3HB GLN 89 -8.424 -14.230 7.980 758 HG2 GLN 89 2HG GLN 89 -7.896 -12.051 9.046 759 HG3 GLN 89 3HG GLN 89 -8.290 -11.231 7.533 760 HE21 GLN 89 1HE2 GLN 89 -9.910 -10.013 8.563 761 HE22 GLN 89 2HE2 GLN 89 -11.424 -10.691 9.041 762 H GLU 90 H GLU 90 -5.401 -15.546 7.789 763 HA GLU 90 HA GLU 90 -4.970 -14.834 10.473 764 HB2 GLU 90 2HB GLU 90 -3.310 -16.705 8.733 765 HB3 GLU 90 3HB GLU 90 -3.292 -16.677 10.491 766 HG2 GLU 90 2HG GLU 90 -5.724 -17.359 8.813 767 HG3 GLU 90 3HG GLU 90 -4.622 -18.543 9.503 768 H GLU 91 H GLU 91 -2.646 -14.806 7.790 769 HA GLU 91 HA GLU 91 -0.454 -13.501 8.931 770 HB2 GLU 91 2HB GLU 91 -0.370 -14.674 6.778 771 HB3 GLU 91 3HB GLU 91 -1.548 -13.568 6.079 772 HG2 GLU 91 2HG GLU 91 0.649 -13.091 5.199 773 HG3 GLU 91 3HG GLU 91 0.111 -11.740 6.191 774 H LEU 92 H LEU 92 -3.135 -12.207 7.030 775 HA LEU 92 HA LEU 92 -2.408 -9.530 6.823 776 HB2 LEU 92 2HB LEU 92 -5.038 -11.013 6.638 777 HB3 LEU 92 3HB LEU 92 -5.019 -9.268 6.505 778 HG LEU 92 HG LEU 92 -3.666 -9.371 4.474 779 HD11 LEU 92 1HD1 LEU 92 -3.651 -12.389 4.739 780 HD12 LEU 92 2HD1 LEU 92 -2.262 -11.317 4.936 781 HD13 LEU 92 3HD1 LEU 92 -3.046 -11.457 3.365 782 HD21 LEU 92 1HD2 LEU 92 -6.088 -9.481 4.229 783 HD22 LEU 92 2HD2 LEU 92 -6.053 -11.241 4.365 784 HD23 LEU 92 3HD2 LEU 92 -5.313 -10.447 2.974 785 H GLU 93 H GLU 93 -4.267 -11.177 9.321 786 HA GLU 93 HA GLU 93 -5.323 -8.813 10.596 787 HB2 GLU 93 2HB GLU 93 -6.534 -11.007 10.500 788 HB3 GLU 93 3HB GLU 93 -5.293 -11.729 11.521 789 HG2 GLU 93 2HG GLU 93 -5.921 -10.091 13.323 790 HG3 GLU 93 3HG GLU 93 -7.243 -9.539 12.294 791 H ARG 94 H ARG 94 -2.653 -11.061 11.139 792 HA ARG 94 HA ARG 94 -1.859 -10.205 13.728 793 HB2 ARG 94 2HB ARG 94 -1.088 -12.336 12.654 794 HB3 ARG 94 3HB ARG 94 -0.136 -11.403 11.502 795 HG2 ARG 94 2HG ARG 94 1.269 -12.334 13.309 796 HG3 ARG 94 3HG ARG 94 1.298 -10.568 13.322 797 HD2 ARG 94 2HD ARG 94 -0.357 -10.562 15.157 798 HD3 ARG 94 3HD ARG 94 -0.382 -12.327 15.141 799 HE ARG 94 HE ARG 94 2.256 -11.593 15.533 800 HH11 ARG 94 1HH1 ARG 94 -0.786 -11.127 17.246 801 HH12 ARG 94 2HH1 ARG 94 -0.028 -11.057 18.810 802 HH21 ARG 94 1HH2 ARG 94 3.235 -11.509 17.594 803 HH22 ARG 94 2HH2 ARG 94 2.251 -11.272 19.004 804 H ILE 95 H ILE 95 -0.850 -9.259 10.457 805 HA ILE 95 HA ILE 95 0.996 -7.232 11.209 806 HB ILE 95 HB ILE 95 -0.554 -7.381 8.582 807 HG12 ILE 95 2HG1 ILE 95 0.536 -9.578 9.061 808 HG13 ILE 95 3HG1 ILE 95 1.224 -8.784 7.656 809 HG21 ILE 95 1HG2 ILE 95 1.435 -6.266 7.623 810 HG22 ILE 95 2HG2 ILE 95 2.167 -6.188 9.227 811 HG23 ILE 95 3HG2 ILE 95 0.685 -5.291 8.889 812 HD11 ILE 95 1HD1 ILE 95 2.927 -9.847 8.989 813 HD12 ILE 95 2HD1 ILE 95 2.452 -8.914 10.407 814 HD13 ILE 95 3HD1 ILE 95 3.153 -8.098 9.005 815 H TYR 96 H TYR 96 -2.473 -7.250 10.464 816 HA TYR 96 HA TYR 96 -3.084 -4.547 10.216 817 HB2 TYR 96 2HB TYR 96 -4.669 -6.398 9.725 818 HB3 TYR 96 3HB TYR 96 -4.811 -6.758 11.436 819 HD1 TYR 96 HD1 TYR 96 -5.908 -4.543 8.713 820 HD2 TYR 96 HD2 TYR 96 -6.138 -5.208 12.933 821 HE1 TYR 96 HE1 TYR 96 -7.836 -3.042 8.849 822 HE2 TYR 96 HE2 TYR 96 -8.071 -3.687 13.057 823 HH TYR 96 HH TYR 96 -9.018 -1.793 11.728 824 H GLU 97 H GLU 97 -2.830 -6.534 13.166 825 HA GLU 97 HA GLU 97 -3.824 -4.670 15.027 826 HB2 GLU 97 2HB GLU 97 -3.449 -7.104 15.547 827 HB3 GLU 97 3HB GLU 97 -1.711 -6.805 15.561 828 HG2 GLU 97 2HG GLU 97 -2.264 -4.998 17.375 829 HG3 GLU 97 3HG GLU 97 -3.812 -5.826 17.517 830 H GLN 98 H GLN 98 -0.501 -5.350 13.943 831 HA GLN 98 HA GLN 98 0.893 -3.584 15.649 832 HB2 GLN 98 2HB GLN 98 2.002 -5.427 14.448 833 HB3 GLN 98 3HB GLN 98 1.630 -4.689 12.896 834 HG2 GLN 98 2HG GLN 98 3.993 -4.384 13.485 835 HG3 GLN 98 3HG GLN 98 3.164 -2.834 13.382 836 HE21 GLN 98 1HE2 GLN 98 4.763 -1.840 14.642 837 HE22 GLN 98 2HE2 GLN 98 4.884 -2.088 16.347 838 H LEU 99 H LEU 99 -0.378 -3.162 12.377 839 HA LEU 99 HA LEU 99 0.539 -0.532 11.890 840 HB2 LEU 99 2HB LEU 99 -1.478 -2.396 10.683 841 HB3 LEU 99 3HB LEU 99 -1.590 -0.704 10.238 842 HG LEU 99 HG LEU 99 -0.301 -2.013 8.585 843 HD11 LEU 99 1HD1 LEU 99 0.146 0.374 8.850 844 HD12 LEU 99 2HD1 LEU 99 1.592 -0.504 8.371 845 HD13 LEU 99 3HD1 LEU 99 1.402 0.025 10.044 846 HD21 LEU 99 1HD2 LEU 99 1.745 -2.479 10.791 847 HD22 LEU 99 2HD2 LEU 99 1.948 -2.876 9.083 848 HD23 LEU 99 3HD2 LEU 99 0.727 -3.710 10.037 849 H LYS 100 H LYS 100 -2.547 -1.757 13.116 850 HA LYS 100 HA LYS 100 -3.896 0.750 13.372 851 HB2 LYS 100 2HB LYS 100 -4.850 -1.687 13.177 852 HB3 LYS 100 3HB LYS 100 -4.565 -1.815 14.900 853 HG2 LYS 100 2HG LYS 100 -6.361 0.302 13.673 854 HG3 LYS 100 3HG LYS 100 -6.942 -1.284 14.167 855 HD2 LYS 100 2HD LYS 100 -6.278 -0.817 16.496 856 HD3 LYS 100 3HD LYS 100 -5.660 0.764 16.011 857 HE2 LYS 100 2HE LYS 100 -8.555 -0.152 15.882 858 HE3 LYS 100 3HE LYS 100 -7.872 0.996 17.034 859 HZ1 LYS 100 1HZ LYS 100 -7.272 2.377 15.040 860 HZ2 LYS 100 2HZ LYS 100 -8.920 2.261 15.387 861 HZ3 LYS 100 3HZ LYS 100 -8.259 1.355 14.125 862 H LYS 101 H LYS 101 -1.779 -1.145 15.408 863 HA LYS 101 HA LYS 101 -2.105 0.112 17.930 864 HB2 LYS 101 2HB LYS 101 -0.988 -2.086 17.549 865 HB3 LYS 101 3HB LYS 101 0.345 -1.277 16.741 866 HG2 LYS 101 2HG LYS 101 0.858 -0.103 18.901 867 HG3 LYS 101 3HG LYS 101 -0.399 -1.066 19.683 868 HD2 LYS 101 2HD LYS 101 2.169 -2.077 18.398 869 HD3 LYS 101 3HD LYS 101 1.762 -2.102 20.112 870 HE2 LYS 101 2HE LYS 101 0.445 -3.745 17.916 871 HE3 LYS 101 3HE LYS 101 1.536 -4.340 19.167 872 HZ1 LYS 101 1HZ LYS 101 -1.166 -3.191 19.624 873 HZ2 LYS 101 2HZ LYS 101 -0.117 -3.731 20.830 874 HZ3 LYS 101 3HZ LYS 101 -0.752 -4.830 19.712 875 H ASP 102 H ASP 102 0.010 0.753 15.161 876 HA ASP 102 HA ASP 102 1.183 3.141 16.363 877 HB2 ASP 102 2HB ASP 102 1.549 1.805 13.650 878 HB3 ASP 102 3HB ASP 102 2.350 3.309 14.094 879 H GLY 103 H GLY 103 -1.766 2.528 14.942 880 HA2 GLY 103 2HA GLY 103 -3.503 4.036 14.715 881 HA3 GLY 103 3HA GLY 103 -2.370 5.356 14.916 882 H VAL 104 H VAL 104 -1.962 2.888 12.460 883 HA VAL 104 HA VAL 104 -2.190 4.875 10.316 884 HB VAL 104 HB VAL 104 -1.310 1.942 10.180 885 HG11 VAL 104 1HG1 VAL 104 -2.064 2.767 7.993 886 HG12 VAL 104 2HG1 VAL 104 -0.318 2.522 7.993 887 HG13 VAL 104 3HG1 VAL 104 -0.979 4.155 8.116 888 HG21 VAL 104 1HG2 VAL 104 0.435 4.437 10.365 889 HG22 VAL 104 2HG2 VAL 104 1.018 2.786 10.137 890 HG23 VAL 104 3HG2 VAL 104 0.203 3.233 11.635 891 H ASP 105 H ASP 105 -3.780 4.770 8.676 892 HA ASP 105 HA ASP 105 -6.296 3.526 9.395 893 HB2 ASP 105 2HB ASP 105 -5.782 5.877 8.180 894 HB3 ASP 105 3HB ASP 105 -5.797 4.887 6.739 895 H VAL 106 H VAL 106 -6.499 1.372 8.967 896 HA VAL 106 HA VAL 106 -5.282 0.256 6.510 897 HB VAL 106 HB VAL 106 -4.536 -1.745 7.886 898 HG11 VAL 106 1HG1 VAL 106 -3.240 0.894 8.658 899 HG12 VAL 106 2HG1 VAL 106 -2.994 0.049 7.132 900 HG13 VAL 106 3HG1 VAL 106 -2.478 -0.700 8.638 901 HG21 VAL 106 1HG2 VAL 106 -5.962 -1.382 9.892 902 HG22 VAL 106 2HG2 VAL 106 -5.057 0.080 10.279 903 HG23 VAL 106 3HG2 VAL 106 -4.257 -1.494 10.326 904 H ARG 107 H ARG 107 -6.058 -1.642 5.726 905 HA ARG 107 HA ARG 107 -8.532 -2.812 6.773 906 HB2 ARG 107 2HB ARG 107 -9.492 -2.927 4.444 907 HB3 ARG 107 3HB ARG 107 -9.442 -1.310 5.116 908 HG2 ARG 107 2HG ARG 107 -7.223 -2.218 3.285 909 HG3 ARG 107 3HG ARG 107 -8.772 -1.718 2.610 910 HD2 ARG 107 2HD ARG 107 -6.979 -0.036 4.377 911 HD3 ARG 107 3HD ARG 107 -7.185 0.135 2.633 912 HE ARG 107 HE ARG 107 -9.577 0.657 3.109 913 HH11 ARG 107 1HH1 ARG 107 -7.150 1.276 5.576 914 HH12 ARG 107 2HH1 ARG 107 -8.089 2.520 6.354 915 HH21 ARG 107 1HH2 ARG 107 -10.769 2.295 4.112 916 HH22 ARG 107 2HH2 ARG 107 -10.141 3.099 5.524 917 H VAL 108 H VAL 108 -8.630 -4.970 6.484 918 HA VAL 108 HA VAL 108 -6.748 -6.324 4.652 919 HB VAL 108 HB VAL 108 -6.723 -8.290 6.151 920 HG11 VAL 108 1HG1 VAL 108 -4.903 -6.704 6.362 921 HG12 VAL 108 2HG1 VAL 108 -5.286 -7.372 7.942 922 HG13 VAL 108 3HG1 VAL 108 -5.814 -5.741 7.524 923 HG21 VAL 108 1HG2 VAL 108 -8.897 -7.990 7.285 924 HG22 VAL 108 2HG2 VAL 108 -8.267 -6.592 8.159 925 HG23 VAL 108 3HG2 VAL 108 -7.596 -8.197 8.459 926 H THR 109 H THR 109 -7.619 -8.035 3.439 927 HA THR 109 HA THR 109 -10.339 -8.926 3.868 928 HB THR 109 HB THR 109 -10.867 -6.919 2.636 929 HG1 THR 109 HG1 THR 109 -12.245 -8.180 1.708 930 HG21 THR 109 1HG2 THR 109 -9.988 -6.393 0.406 931 HG22 THR 109 2HG2 THR 109 -8.917 -7.793 0.482 932 HG23 THR 109 3HG2 THR 109 -8.689 -6.442 1.597 933 H ASP 110 H ASP 110 -10.352 -11.016 3.518 934 HA ASP 110 HA ASP 110 -8.309 -12.273 1.814 935 HB2 ASP 110 2HB ASP 110 -8.981 -14.404 2.986 936 HB3 ASP 110 3HB ASP 110 -8.304 -13.175 4.044 937 H ASN 111 H ASN 111 -9.227 -11.746 -0.135 938 HA ASN 111 HA ASN 111 -10.597 -13.630 -1.571 939 HB2 ASN 111 2HB ASN 111 -12.827 -12.642 -2.040 940 HB3 ASN 111 3HB ASN 111 -12.682 -13.058 -0.333 941 HD21 ASN 111 1HD2 ASN 111 -12.618 -11.407 1.191 942 HD22 ASN 111 2HD2 ASN 111 -12.997 -9.767 0.806 943 H GLU 112 H GLU 112 -11.779 -12.244 -3.648 944 HA GLU 112 HA GLU 112 -9.496 -10.640 -4.662 945 HB2 GLU 112 2HB GLU 112 -10.376 -12.929 -5.706 946 HB3 GLU 112 3HB GLU 112 -11.563 -11.893 -6.483 947 HG2 GLU 112 2HG GLU 112 -9.821 -12.105 -8.058 948 HG3 GLU 112 3HG GLU 112 -9.568 -10.517 -7.332 949 H ASP 113 H ASP 113 -13.031 -10.570 -4.305 950 HA ASP 113 HA ASP 113 -13.415 -8.380 -6.176 951 HB2 ASP 113 2HB ASP 113 -15.412 -9.638 -4.253 952 HB3 ASP 113 3HB ASP 113 -15.809 -8.529 -5.561 953 H GLU 114 H GLU 114 -13.943 -8.763 -2.665 954 HA GLU 114 HA GLU 114 -14.338 -6.008 -2.078 955 HB2 GLU 114 2HB GLU 114 -15.067 -7.945 -0.631 956 HB3 GLU 114 3HB GLU 114 -13.384 -8.180 -0.161 957 HG2 GLU 114 2HG GLU 114 -14.626 -6.984 1.572 958 HG3 GLU 114 3HG GLU 114 -13.364 -5.963 0.899 959 H ALA 115 H ALA 115 -11.473 -7.933 -2.544 960 HA ALA 115 HA ALA 115 -9.415 -6.332 -1.544 961 HB1 ALA 115 1HB ALA 115 -9.480 -7.801 -4.201 962 HB2 ALA 115 2HB ALA 115 -9.113 -8.532 -2.641 963 HB3 ALA 115 3HB ALA 115 -8.035 -7.307 -3.310 964 H LYS 116 H LYS 116 -10.936 -6.199 -4.750 965 HA LYS 116 HA LYS 116 -9.563 -3.864 -5.651 966 HB2 LYS 116 2HB LYS 116 -12.050 -5.242 -6.756 967 HB3 LYS 116 3HB LYS 116 -11.114 -4.013 -7.605 968 HG2 LYS 116 2HG LYS 116 -9.143 -5.501 -7.613 969 HG3 LYS 116 3HG LYS 116 -10.064 -6.733 -6.747 970 HD2 LYS 116 2HD LYS 116 -11.610 -6.931 -8.677 971 HD3 LYS 116 3HD LYS 116 -10.692 -5.692 -9.538 972 HE2 LYS 116 2HE LYS 116 -8.696 -7.157 -9.495 973 HE3 LYS 116 3HE LYS 116 -9.629 -8.398 -8.658 974 HZ1 LYS 116 1HZ LYS 116 -10.246 -7.347 -11.364 975 HZ2 LYS 116 2HZ LYS 116 -11.057 -8.602 -10.572 976 HZ3 LYS 116 3HZ LYS 116 -9.441 -8.798 -11.043 977 H LYS 117 H LYS 117 -12.637 -4.429 -4.032 978 HA LYS 117 HA LYS 117 -13.848 -1.895 -4.173 979 HB2 LYS 117 2HB LYS 117 -13.837 -4.063 -2.052 980 HB3 LYS 117 3HB LYS 117 -14.733 -2.581 -1.803 981 HG2 LYS 117 2HG LYS 117 -15.240 -4.302 -4.235 982 HG3 LYS 117 3HG LYS 117 -15.989 -4.672 -2.682 983 HD2 LYS 117 2HD LYS 117 -16.313 -2.100 -4.273 984 HD3 LYS 117 3HD LYS 117 -17.525 -3.361 -4.051 985 HE2 LYS 117 2HE LYS 117 -16.423 -1.484 -1.934 986 HE3 LYS 117 3HE LYS 117 -18.064 -1.528 -2.568 987 HZ1 LYS 117 1HZ LYS 117 -17.961 -2.548 -0.403 988 HZ2 LYS 117 2HZ LYS 117 -16.777 -3.641 -0.911 989 HZ3 LYS 117 3HZ LYS 117 -18.340 -3.723 -1.557 990 H ARG 118 H ARG 118 -11.761 -3.208 -1.567 991 HA ARG 118 HA ARG 118 -11.513 -0.809 -0.074 992 HB2 ARG 118 2HB ARG 118 -9.836 -3.354 -0.048 993 HB3 ARG 118 3HB ARG 118 -9.713 -2.084 1.161 994 HG2 ARG 118 2HG ARG 118 -12.204 -3.722 0.614 995 HG3 ARG 118 3HG ARG 118 -11.060 -4.027 1.919 996 HD2 ARG 118 2HD ARG 118 -11.637 -1.954 3.011 997 HD3 ARG 118 3HD ARG 118 -12.580 -1.412 1.618 998 HE ARG 118 HE ARG 118 -13.662 -3.829 2.517 999 HH11 ARG 118 1HH1 ARG 118 -13.393 -0.483 3.620 1000 HH12 ARG 118 2HH1 ARG 118 -14.851 -0.568 4.559 1001 HH21 ARG 118 1HH2 ARG 118 -15.595 -3.873 3.663 1002 HH22 ARG 118 2HH2 ARG 118 -16.101 -2.490 4.580 1003 H LEU 119 H LEU 119 -9.782 -2.045 -2.786 1004 HA LEU 119 HA LEU 119 -7.406 -0.482 -2.555 1005 HB2 LEU 119 2HB LEU 119 -8.032 -2.631 -4.049 1006 HB3 LEU 119 3HB LEU 119 -8.481 -1.423 -5.232 1007 HG LEU 119 HG LEU 119 -6.237 -2.256 -5.689 1008 HD11 LEU 119 1HD1 LEU 119 -6.603 0.086 -6.248 1009 HD12 LEU 119 2HD1 LEU 119 -4.933 -0.198 -5.773 1010 HD13 LEU 119 3HD1 LEU 119 -6.048 0.581 -4.647 1011 HD21 LEU 119 1HD2 LEU 119 -4.362 -2.030 -4.142 1012 HD22 LEU 119 2HD2 LEU 119 -5.639 -3.003 -3.418 1013 HD23 LEU 119 3HD2 LEU 119 -5.421 -1.327 -2.920 1014 H LYS 120 H LYS 120 -10.239 -0.159 -4.774 1015 HA LYS 120 HA LYS 120 -9.494 2.401 -5.758 1016 HB2 LYS 120 2HB LYS 120 -11.062 0.629 -6.855 1017 HB3 LYS 120 3HB LYS 120 -12.338 1.321 -5.863 1018 HG2 LYS 120 2HG LYS 120 -11.895 3.551 -6.915 1019 HG3 LYS 120 3HG LYS 120 -10.683 2.788 -7.943 1020 HD2 LYS 120 2HD LYS 120 -12.688 3.001 -9.252 1021 HD3 LYS 120 3HD LYS 120 -12.513 1.289 -8.854 1022 HE2 LYS 120 2HE LYS 120 -14.835 1.978 -8.589 1023 HE3 LYS 120 3HE LYS 120 -14.159 1.588 -7.005 1024 HZ1 LYS 120 1HZ LYS 120 -13.798 3.999 -6.676 1025 HZ2 LYS 120 2HZ LYS 120 -15.431 3.603 -6.875 1026 HZ3 LYS 120 3HZ LYS 120 -14.570 4.299 -8.150 1027 H GLU 121 H GLU 121 -11.423 1.345 -3.064 1028 HA GLU 121 HA GLU 121 -12.919 3.481 -2.205 1029 HB2 GLU 121 2HB GLU 121 -12.917 1.344 -1.043 1030 HB3 GLU 121 3HB GLU 121 -11.215 1.498 -0.637 1031 HG2 GLU 121 2HG GLU 121 -11.812 3.427 0.852 1032 HG3 GLU 121 3HG GLU 121 -13.508 3.112 0.508 1033 H LEU 122 H LEU 122 -9.475 2.874 -1.565 1034 HA LEU 122 HA LEU 122 -9.093 5.336 -0.133 1035 HB2 LEU 122 2HB LEU 122 -7.073 3.311 -1.158 1036 HB3 LEU 122 3HB LEU 122 -6.686 4.688 -0.130 1037 HG LEU 122 HG LEU 122 -8.354 2.254 0.607 1038 HD11 LEU 122 1HD1 LEU 122 -5.807 3.391 1.765 1039 HD12 LEU 122 2HD1 LEU 122 -5.940 1.965 0.748 1040 HD13 LEU 122 3HD1 LEU 122 -6.654 1.966 2.356 1041 HD21 LEU 122 1HD2 LEU 122 -8.683 3.310 2.840 1042 HD22 LEU 122 2HD2 LEU 122 -9.515 4.178 1.555 1043 HD23 LEU 122 3HD2 LEU 122 -8.006 4.816 2.216 1044 H LEU 123 H LEU 123 -8.497 4.233 -3.457 1045 HA LEU 123 HA LEU 123 -7.021 6.469 -4.355 1046 HB2 LEU 123 2HB LEU 123 -8.664 4.350 -5.723 1047 HB3 LEU 123 3HB LEU 123 -8.235 5.772 -6.653 1048 HG LEU 123 HG LEU 123 -6.658 3.952 -7.091 1049 HD11 LEU 123 1HD1 LEU 123 -4.534 5.122 -6.739 1050 HD12 LEU 123 2HD1 LEU 123 -5.301 6.203 -5.574 1051 HD13 LEU 123 3HD1 LEU 123 -5.797 6.235 -7.267 1052 HD21 LEU 123 1HD2 LEU 123 -6.793 2.735 -4.958 1053 HD22 LEU 123 2HD2 LEU 123 -5.901 4.026 -4.150 1054 HD23 LEU 123 3HD2 LEU 123 -5.122 3.064 -5.408 1055 H GLU 124 H GLU 124 -10.519 6.049 -3.852 1056 HA GLU 124 HA GLU 124 -11.342 8.553 -4.978 1057 HB2 GLU 124 2HB GLU 124 -12.674 7.195 -2.587 1058 HB3 GLU 124 3HB GLU 124 -13.404 8.329 -3.712 1059 HG2 GLU 124 2HG GLU 124 -12.619 5.469 -4.247 1060 HG3 GLU 124 3HG GLU 124 -14.248 6.118 -4.136 1061 H LYS 125 H LYS 125 -10.436 7.501 -1.716 1062 HA LYS 125 HA LYS 125 -10.848 9.967 -0.383 1063 HB2 LYS 125 2HB LYS 125 -9.194 7.540 0.432 1064 HB3 LYS 125 3HB LYS 125 -9.622 8.867 1.512 1065 HG2 LYS 125 2HG LYS 125 -12.026 8.328 1.205 1066 HG3 LYS 125 3HG LYS 125 -11.574 6.987 0.151 1067 HD2 LYS 125 2HD LYS 125 -10.325 5.957 2.066 1068 HD3 LYS 125 3HD LYS 125 -10.912 7.255 3.109 1069 HE2 LYS 125 2HE LYS 125 -12.636 5.237 1.639 1070 HE3 LYS 125 3HE LYS 125 -12.263 5.218 3.360 1071 HZ1 LYS 125 1HZ LYS 125 -13.763 7.363 1.957 1072 HZ2 LYS 125 2HZ LYS 125 -13.456 7.292 3.618 1073 HZ3 LYS 125 3HZ LYS 125 -14.457 6.139 2.893 1074 H VAL 126 H VAL 126 -8.145 8.784 -2.225 1075 HA VAL 126 HA VAL 126 -6.177 10.624 -1.169 1076 HB VAL 126 HB VAL 126 -6.165 8.874 -3.687 1077 HG11 VAL 126 1HG1 VAL 126 -4.715 10.831 -4.074 1078 HG12 VAL 126 2HG1 VAL 126 -3.753 9.368 -3.893 1079 HG13 VAL 126 3HG1 VAL 126 -3.862 10.521 -2.560 1080 HG21 VAL 126 1HG2 VAL 126 -6.073 7.622 -1.553 1081 HG22 VAL 126 2HG2 VAL 126 -4.666 8.555 -1.054 1082 HG23 VAL 126 3HG2 VAL 126 -4.560 7.473 -2.444 1083 H LEU 127 H LEU 127 -8.383 10.492 -3.951 1084 HA LEU 127 HA LEU 127 -7.594 13.004 -5.101 1085 HB2 LEU 127 2HB LEU 127 -10.143 11.382 -5.458 1086 HB3 LEU 127 3HB LEU 127 -9.728 12.796 -6.416 1087 HG LEU 127 HG LEU 127 -8.208 10.156 -6.389 1088 HD11 LEU 127 1HD1 LEU 127 -9.004 9.884 -8.688 1089 HD12 LEU 127 2HD1 LEU 127 -9.926 11.385 -8.565 1090 HD13 LEU 127 3HD1 LEU 127 -10.350 9.999 -7.556 1091 HD21 LEU 127 1HD2 LEU 127 -6.848 11.086 -8.234 1092 HD22 LEU 127 2HD2 LEU 127 -6.624 11.990 -6.741 1093 HD23 LEU 127 3HD2 LEU 127 -7.633 12.655 -8.028 1094 H GLU 128 H GLU 128 -9.802 12.059 -2.569 1095 HA GLU 128 HA GLU 128 -11.019 14.693 -2.235 1096 HB2 GLU 128 2HB GLU 128 -11.102 12.201 -0.479 1097 HB3 GLU 128 3HB GLU 128 -12.057 13.658 -0.210 1098 HG2 GLU 128 2HG GLU 128 -13.270 13.315 -2.298 1099 HG3 GLU 128 3HG GLU 128 -12.254 11.929 -2.696 1100 H HIS 129 H HIS 129 -8.216 13.000 -1.139 1101 HA HIS 129 HA HIS 129 -7.659 14.492 1.247 1102 HB2 HIS 129 2HB HIS 129 -6.764 12.161 0.630 1103 HB3 HIS 129 3HB HIS 129 -5.651 12.962 -0.469 1104 HD1 HIS 129 HD1 HIS 129 -6.336 12.356 3.148 1105 HD2 HIS 129 HD2 HIS 129 -3.453 14.184 0.782 1106 HE1 HIS 129 HE1 HIS 129 -4.400 12.808 4.675 1107 HE2 HIS 129 HE2 HIS 129 -2.622 13.781 3.189 1108 H HIS 130 H HIS 130 -6.870 14.777 -2.156 1109 HA HIS 130 HA HIS 130 -6.201 17.594 -1.806 1110 HB2 HIS 130 2HB HIS 130 -4.125 15.588 -2.362 1111 HB3 HIS 130 3HB HIS 130 -4.263 16.681 -3.730 1112 HD1 HIS 130 HD1 HIS 130 -3.998 17.051 0.077 1113 HD2 HIS 130 HD2 HIS 130 -2.663 18.850 -3.427 1114 HE1 HIS 130 HE1 HIS 130 -2.472 18.910 0.804 1115 HE2 HIS 130 HE2 HIS 130 -1.674 19.981 -1.326 1116 H HIS 131 H HIS 131 -8.099 18.085 -2.799 1117 HA HIS 131 HA HIS 131 -9.099 16.807 -5.143 1118 HB2 HIS 131 2HB HIS 131 -10.929 18.418 -5.051 1119 HB3 HIS 131 3HB HIS 131 -10.581 17.828 -3.434 1120 HD1 HIS 131 HD1 HIS 131 -11.891 20.673 -4.524 1121 HD2 HIS 131 HD2 HIS 131 -8.272 20.058 -2.569 1122 HE1 HIS 131 HE1 HIS 131 -11.318 22.866 -3.442 1123 HE2 HIS 131 HE2 HIS 131 -9.162 22.451 -2.232 1124 H HIS 132 H HIS 132 -9.022 17.385 -7.263 1125 HA HIS 132 HA HIS 132 -6.834 19.068 -8.130 1126 HB2 HIS 132 2HB HIS 132 -7.554 16.832 -9.196 1127 HB3 HIS 132 3HB HIS 132 -8.928 17.687 -9.884 1128 HD1 HIS 132 HD1 HIS 132 -5.659 16.600 -10.754 1129 HD2 HIS 132 HD2 HIS 132 -7.875 20.027 -11.569 1130 HE1 HIS 132 HE1 HIS 132 -4.572 17.657 -12.757 1131 HE2 HIS 132 HE2 HIS 132 -5.823 19.801 -13.115 1132 H HIS 133 H HIS 133 -6.974 21.062 -9.062 1133 HA HIS 133 HA HIS 133 -9.318 22.704 -8.807 1134 HB2 HIS 133 2HB HIS 133 -7.037 23.601 -8.436 1135 HB3 HIS 133 3HB HIS 133 -6.595 23.238 -10.101 1136 HD1 HIS 133 HD1 HIS 133 -7.180 24.959 -11.854 1137 HD2 HIS 133 HD2 HIS 133 -8.856 25.819 -8.153 1138 HE1 HIS 133 HE1 HIS 133 -8.083 27.288 -12.050 1139 HE2 HIS 133 HE2 HIS 133 -9.269 27.705 -9.873 1140 H HIS 134 H HIS 134 -10.777 21.447 -10.082 1141 HA HIS 134 HA HIS 134 -11.985 20.743 -11.838 1142 HB2 HIS 134 2HB HIS 134 -10.664 23.141 -13.152 1143 HB3 HIS 134 3HB HIS 134 -11.821 22.145 -14.023 1144 HD1 HIS 134 HD1 HIS 134 -12.623 24.949 -13.786 1145 HD2 HIS 134 HD2 HIS 134 -13.437 22.229 -10.760 1146 HE1 HIS 134 HE1 HIS 134 -14.587 25.887 -12.549 1147 HE2 HIS 134 HE2 HIS 134 -15.191 24.112 -10.881 Start of MODEL 17 1 H1 MET 1 1H MET 1 -0.138 12.618 -3.840 2 H2 MET 1 2H MET 1 -0.990 13.933 -4.473 3 H3 MET 1 3H MET 1 -1.453 13.259 -2.992 4 HA MET 1 HA MET 1 1.097 14.633 -3.551 5 HB2 MET 1 2HB MET 1 -1.374 15.541 -2.017 6 HB3 MET 1 3HB MET 1 0.173 16.372 -1.930 7 HG2 MET 1 2HG MET 1 0.048 16.769 -4.385 8 HG3 MET 1 3HG MET 1 -1.563 16.042 -4.385 9 HE1 MET 1 1HE MET 1 -2.467 18.282 -5.566 10 HE2 MET 1 2HE MET 1 -0.865 19.022 -5.491 11 HE3 MET 1 3HE MET 1 -2.271 19.892 -4.874 12 H GLY 2 H GLY 2 2.538 13.324 -2.548 13 HA2 GLY 2 2HA GLY 2 3.758 12.358 -0.867 14 HA3 GLY 2 3HA GLY 2 3.004 13.558 0.171 15 H THR 3 H THR 3 1.789 10.664 -1.522 16 HA THR 3 HA THR 3 0.760 9.601 1.048 17 HB THR 3 HB THR 3 -0.663 9.478 -1.656 18 HG1 THR 3 HG1 THR 3 -0.712 11.362 0.387 19 HG21 THR 3 1HG2 THR 3 -2.593 8.693 -0.320 20 HG22 THR 3 2HG2 THR 3 -1.593 8.689 1.129 21 HG23 THR 3 3HG2 THR 3 -1.233 7.576 -0.197 22 H VAL 4 H VAL 4 1.608 7.644 1.474 23 HA VAL 4 HA VAL 4 2.699 5.981 -0.723 24 HB VAL 4 HB VAL 4 3.453 5.892 2.243 25 HG11 VAL 4 1HG1 VAL 4 3.771 3.724 1.119 26 HG12 VAL 4 2HG1 VAL 4 5.328 4.457 1.504 27 HG13 VAL 4 3HG1 VAL 4 4.721 4.502 -0.152 28 HG21 VAL 4 1HG2 VAL 4 5.578 6.965 1.567 29 HG22 VAL 4 2HG2 VAL 4 4.191 8.007 1.242 30 HG23 VAL 4 3HG2 VAL 4 4.969 7.136 -0.082 31 H VAL 5 H VAL 5 1.266 4.477 -1.261 32 HA VAL 5 HA VAL 5 -0.378 3.072 0.726 33 HB VAL 5 HB VAL 5 -0.529 2.990 -2.332 34 HG11 VAL 5 1HG1 VAL 5 -2.693 1.841 -2.028 35 HG12 VAL 5 2HG1 VAL 5 -2.446 1.825 -0.281 36 HG13 VAL 5 3HG1 VAL 5 -1.367 0.904 -1.331 37 HG21 VAL 5 1HG2 VAL 5 -1.149 5.210 -1.450 38 HG22 VAL 5 2HG2 VAL 5 -2.331 4.463 -0.371 39 HG23 VAL 5 3HG2 VAL 5 -2.556 4.378 -2.121 40 H ILE 6 H ILE 6 0.286 1.105 1.409 41 HA ILE 6 HA ILE 6 2.240 -0.476 -0.176 42 HB ILE 6 HB ILE 6 1.667 -0.602 2.836 43 HG12 ILE 6 2HG1 ILE 6 2.834 1.496 2.342 44 HG13 ILE 6 3HG1 ILE 6 3.953 0.395 3.135 45 HG21 ILE 6 1HG2 ILE 6 3.802 -2.045 1.216 46 HG22 ILE 6 2HG2 ILE 6 2.390 -2.779 1.983 47 HG23 ILE 6 3HG2 ILE 6 3.660 -2.065 2.976 48 HD11 ILE 6 1HD1 ILE 6 3.844 1.004 0.183 49 HD12 ILE 6 2HD1 ILE 6 4.964 -0.128 0.951 50 HD13 ILE 6 3HD1 ILE 6 5.036 1.591 1.340 51 H VAL 7 H VAL 7 1.465 -2.358 -0.989 52 HA VAL 7 HA VAL 7 -1.065 -3.499 0.070 53 HB VAL 7 HB VAL 7 -0.049 -3.650 -2.820 54 HG11 VAL 7 1HG1 VAL 7 -1.382 -5.612 -2.161 55 HG12 VAL 7 2HG1 VAL 7 -2.256 -4.620 -3.327 56 HG13 VAL 7 3HG1 VAL 7 -2.693 -4.557 -1.619 57 HG21 VAL 7 1HG2 VAL 7 -0.763 -1.354 -2.288 58 HG22 VAL 7 2HG2 VAL 7 -2.313 -1.955 -1.691 59 HG23 VAL 7 3HG2 VAL 7 -1.902 -2.119 -3.401 60 H VAL 8 H VAL 8 -0.777 -5.435 0.968 61 HA VAL 8 HA VAL 8 1.643 -7.033 0.406 62 HB VAL 8 HB VAL 8 -0.033 -6.911 2.958 63 HG11 VAL 8 1HG1 VAL 8 2.515 -8.476 2.417 64 HG12 VAL 8 2HG1 VAL 8 0.903 -9.155 2.652 65 HG13 VAL 8 3HG1 VAL 8 1.715 -8.331 3.985 66 HG21 VAL 8 1HG2 VAL 8 2.762 -5.822 2.445 67 HG22 VAL 8 2HG2 VAL 8 1.922 -5.807 3.999 68 HG23 VAL 8 3HG2 VAL 8 1.294 -4.860 2.648 69 H SER 9 H SER 9 1.027 -8.530 -1.048 70 HA SER 9 HA SER 9 -0.955 -10.555 -0.229 71 HB2 SER 9 2HB SER 9 -0.776 -9.512 -3.094 72 HB3 SER 9 3HB SER 9 -1.934 -10.678 -2.456 73 HG SER 9 HG SER 9 -2.620 -8.876 -1.053 74 H ARG 10 H ARG 10 -0.101 -12.609 -0.529 75 HA ARG 10 HA ARG 10 2.621 -12.834 -1.561 76 HB2 ARG 10 2HB ARG 10 1.921 -14.032 0.507 77 HB3 ARG 10 3HB ARG 10 0.788 -14.999 -0.429 78 HG2 ARG 10 2HG ARG 10 2.663 -16.020 -1.669 79 HG3 ARG 10 3HG ARG 10 3.813 -15.002 -0.801 80 HD2 ARG 10 2HD ARG 10 2.024 -17.125 0.434 81 HD3 ARG 10 3HD ARG 10 3.758 -17.277 0.138 82 HE ARG 10 HE ARG 10 3.959 -15.291 1.717 83 HH11 ARG 10 1HH1 ARG 10 1.393 -17.683 2.071 84 HH12 ARG 10 2HH1 ARG 10 1.223 -17.423 3.780 85 HH21 ARG 10 1HH2 ARG 10 3.710 -14.934 3.921 86 HH22 ARG 10 2HH2 ARG 10 2.547 -15.852 4.831 87 H ASP 11 H ASP 11 -0.616 -13.438 -2.681 88 HA ASP 11 HA ASP 11 0.162 -15.019 -5.005 89 HB2 ASP 11 2HB ASP 11 -2.059 -15.347 -3.921 90 HB3 ASP 11 3HB ASP 11 -2.497 -13.686 -4.298 91 H GLU 12 H GLU 12 1.102 -14.102 -6.691 92 HA GLU 12 HA GLU 12 1.592 -11.403 -7.166 93 HB2 GLU 12 2HB GLU 12 1.618 -13.684 -9.212 94 HB3 GLU 12 3HB GLU 12 2.278 -12.081 -9.501 95 HG2 GLU 12 2HG GLU 12 4.222 -13.100 -8.942 96 HG3 GLU 12 3HG GLU 12 3.706 -12.675 -7.317 97 H ARG 13 H ARG 13 -1.030 -13.429 -8.275 98 HA ARG 13 HA ARG 13 -1.894 -11.743 -10.399 99 HB2 ARG 13 2HB ARG 13 -3.432 -13.982 -9.034 100 HB3 ARG 13 3HB ARG 13 -3.837 -13.227 -10.574 101 HG2 ARG 13 2HG ARG 13 -1.610 -14.030 -11.463 102 HG3 ARG 13 3HG ARG 13 -1.411 -14.948 -9.967 103 HD2 ARG 13 2HD ARG 13 -2.271 -16.410 -11.710 104 HD3 ARG 13 3HD ARG 13 -3.533 -16.174 -10.494 105 HE ARG 13 HE ARG 13 -3.865 -14.234 -12.491 106 HH11 ARG 13 1HH1 ARG 13 -4.182 -17.736 -12.209 107 HH12 ARG 13 2HH1 ARG 13 -5.386 -17.834 -13.459 108 HH21 ARG 13 1HH2 ARG 13 -5.416 -14.388 -14.114 109 HH22 ARG 13 2HH2 ARG 13 -6.081 -15.937 -14.536 110 H ILE 14 H ILE 14 -2.686 -11.889 -6.954 111 HA ILE 14 HA ILE 14 -4.940 -10.161 -7.007 112 HB ILE 14 HB ILE 14 -2.876 -10.526 -4.774 113 HG12 ILE 14 2HG1 ILE 14 -5.656 -11.753 -5.120 114 HG13 ILE 14 3HG1 ILE 14 -4.133 -12.606 -5.323 115 HG21 ILE 14 1HG2 ILE 14 -4.566 -9.511 -3.257 116 HG22 ILE 14 2HG2 ILE 14 -5.601 -9.175 -4.647 117 HG23 ILE 14 3HG2 ILE 14 -4.039 -8.371 -4.503 118 HD11 ILE 14 1HD1 ILE 14 -5.152 -13.143 -3.201 119 HD12 ILE 14 2HD1 ILE 14 -5.183 -11.440 -2.745 120 HD13 ILE 14 3HD1 ILE 14 -3.639 -12.276 -2.944 121 H LEU 15 H LEU 15 -1.421 -9.469 -6.608 122 HA LEU 15 HA LEU 15 -1.566 -6.697 -6.226 123 HB2 LEU 15 2HB LEU 15 0.685 -8.294 -7.498 124 HB3 LEU 15 3HB LEU 15 0.811 -6.596 -7.099 125 HG LEU 15 HG LEU 15 1.926 -7.546 -5.325 126 HD11 LEU 15 1HD1 LEU 15 -0.881 -7.459 -4.200 127 HD12 LEU 15 2HD1 LEU 15 0.210 -6.085 -4.399 128 HD13 LEU 15 3HD1 LEU 15 0.630 -7.383 -3.286 129 HD21 LEU 15 1HD2 LEU 15 1.367 -9.617 -4.159 130 HD22 LEU 15 2HD2 LEU 15 1.584 -9.870 -5.887 131 HD23 LEU 15 3HD2 LEU 15 -0.041 -9.832 -5.202 132 H GLU 16 H GLU 16 -1.397 -8.510 -9.289 133 HA GLU 16 HA GLU 16 -0.953 -6.192 -10.934 134 HB2 GLU 16 2HB GLU 16 -1.143 -7.674 -12.841 135 HB3 GLU 16 3HB GLU 16 -0.189 -8.472 -11.597 136 HG2 GLU 16 2HG GLU 16 -2.164 -9.817 -10.949 137 HG3 GLU 16 3HG GLU 16 -3.111 -9.020 -12.203 138 H GLU 17 H GLU 17 -3.810 -7.986 -9.886 139 HA GLU 17 HA GLU 17 -5.689 -6.601 -11.588 140 HB2 GLU 17 2HB GLU 17 -6.131 -8.325 -9.112 141 HB3 GLU 17 3HB GLU 17 -7.441 -7.638 -10.077 142 HG2 GLU 17 2HG GLU 17 -6.641 -8.888 -12.050 143 HG3 GLU 17 3HG GLU 17 -5.341 -9.576 -11.081 144 H LEU 18 H LEU 18 -4.203 -5.977 -8.511 145 HA LEU 18 HA LEU 18 -5.973 -3.756 -7.870 146 HB2 LEU 18 2HB LEU 18 -3.379 -4.693 -6.570 147 HB3 LEU 18 3HB LEU 18 -4.408 -3.410 -5.950 148 HG LEU 18 HG LEU 18 -5.139 -6.357 -6.165 149 HD11 LEU 18 1HD1 LEU 18 -4.740 -4.616 -3.718 150 HD12 LEU 18 2HD1 LEU 18 -3.653 -5.884 -4.291 151 HD13 LEU 18 3HD1 LEU 18 -5.267 -6.303 -3.721 152 HD21 LEU 18 1HD2 LEU 18 -6.871 -4.072 -5.188 153 HD22 LEU 18 2HD2 LEU 18 -7.272 -5.790 -5.105 154 HD23 LEU 18 3HD2 LEU 18 -7.107 -5.003 -6.670 155 H LEU 19 H LEU 19 -2.965 -4.285 -9.552 156 HA LEU 19 HA LEU 19 -1.867 -1.693 -9.578 157 HB2 LEU 19 2HB LEU 19 -0.556 -3.597 -10.355 158 HB3 LEU 19 3HB LEU 19 -1.716 -3.937 -11.626 159 HG LEU 19 HG LEU 19 -1.081 -1.716 -12.700 160 HD11 LEU 19 1HD1 LEU 19 1.040 -0.662 -12.047 161 HD12 LEU 19 2HD1 LEU 19 1.143 -1.734 -10.648 162 HD13 LEU 19 3HD1 LEU 19 -0.174 -0.564 -10.773 163 HD21 LEU 19 1HD2 LEU 19 0.990 -2.527 -13.705 164 HD22 LEU 19 2HD2 LEU 19 -0.190 -3.828 -13.557 165 HD23 LEU 19 3HD2 LEU 19 1.161 -3.732 -12.426 166 H GLU 20 H GLU 20 -4.128 -3.299 -11.797 167 HA GLU 20 HA GLU 20 -4.368 -1.156 -13.633 168 HB2 GLU 20 2HB GLU 20 -6.249 -2.397 -14.583 169 HB3 GLU 20 3HB GLU 20 -4.919 -3.490 -14.221 170 HG2 GLU 20 2HG GLU 20 -6.073 -4.225 -12.164 171 HG3 GLU 20 3HG GLU 20 -7.406 -3.129 -12.527 172 H VAL 21 H VAL 21 -6.115 -1.954 -10.657 173 HA VAL 21 HA VAL 21 -8.323 -0.215 -10.940 174 HB VAL 21 HB VAL 21 -6.993 -1.191 -8.367 175 HG11 VAL 21 1HG1 VAL 21 -9.761 0.045 -8.727 176 HG12 VAL 21 2HG1 VAL 21 -8.393 0.791 -7.898 177 HG13 VAL 21 3HG1 VAL 21 -9.134 -0.665 -7.235 178 HG21 VAL 21 1HG2 VAL 21 -7.803 -2.996 -9.849 179 HG22 VAL 21 2HG2 VAL 21 -9.413 -2.276 -9.855 180 HG23 VAL 21 3HG2 VAL 21 -8.735 -2.917 -8.355 181 H VAL 22 H VAL 22 -5.068 0.308 -9.621 182 HA VAL 22 HA VAL 22 -5.322 2.965 -8.726 183 HB VAL 22 HB VAL 22 -2.854 1.790 -10.101 184 HG11 VAL 22 1HG1 VAL 22 -1.595 3.405 -8.707 185 HG12 VAL 22 2HG1 VAL 22 -3.113 4.047 -8.080 186 HG13 VAL 22 3HG1 VAL 22 -2.728 4.217 -9.793 187 HG21 VAL 22 1HG2 VAL 22 -2.072 1.090 -7.869 188 HG22 VAL 22 2HG2 VAL 22 -3.580 0.281 -8.307 189 HG23 VAL 22 3HG2 VAL 22 -3.603 1.623 -7.162 190 H LEU 23 H LEU 23 -4.597 1.609 -11.904 191 HA LEU 23 HA LEU 23 -4.081 4.065 -13.267 192 HB2 LEU 23 2HB LEU 23 -4.755 1.339 -14.453 193 HB3 LEU 23 3HB LEU 23 -3.943 2.662 -15.280 194 HG LEU 23 HG LEU 23 -2.798 1.113 -12.920 195 HD11 LEU 23 1HD1 LEU 23 -2.926 -0.306 -14.892 196 HD12 LEU 23 2HD1 LEU 23 -1.251 0.091 -14.517 197 HD13 LEU 23 3HD1 LEU 23 -2.071 0.906 -15.853 198 HD21 LEU 23 1HD2 LEU 23 -0.673 2.251 -13.408 199 HD22 LEU 23 2HD2 LEU 23 -1.933 3.396 -12.953 200 HD23 LEU 23 3HD2 LEU 23 -1.468 3.226 -14.648 201 H LYS 24 H LYS 24 -7.028 2.203 -12.647 202 HA LYS 24 HA LYS 24 -8.725 3.450 -14.593 203 HB2 LYS 24 2HB LYS 24 -9.668 2.439 -11.867 204 HB3 LYS 24 3HB LYS 24 -10.624 2.605 -13.330 205 HG2 LYS 24 2HG LYS 24 -8.480 0.560 -12.765 206 HG3 LYS 24 3HG LYS 24 -10.215 0.271 -12.842 207 HD2 LYS 24 2HD LYS 24 -10.181 0.774 -15.276 208 HD3 LYS 24 3HD LYS 24 -8.441 1.084 -15.185 209 HE2 LYS 24 2HE LYS 24 -8.081 -1.261 -14.439 210 HE3 LYS 24 3HE LYS 24 -9.813 -1.567 -14.589 211 HZ1 LYS 24 1HZ LYS 24 -9.674 -1.193 -16.940 212 HZ2 LYS 24 2HZ LYS 24 -8.502 -2.332 -16.511 213 HZ3 LYS 24 3HZ LYS 24 -8.053 -0.733 -16.831 214 H SER 25 H SER 25 -7.915 4.077 -11.221 215 HA SER 25 HA SER 25 -9.724 6.228 -10.769 216 HB2 SER 25 2HB SER 25 -7.240 5.414 -9.190 217 HB3 SER 25 3HB SER 25 -8.562 6.432 -8.610 218 HG SER 25 HG SER 25 -8.461 3.681 -8.990 219 H ASP 26 H ASP 26 -6.238 6.062 -11.459 220 HA ASP 26 HA ASP 26 -6.132 8.653 -12.646 221 HB2 ASP 26 2HB ASP 26 -6.124 9.328 -10.235 222 HB3 ASP 26 3HB ASP 26 -4.711 8.321 -9.959 223 HA PRO 27 HA PRO 27 -2.757 6.156 -14.303 224 HB2 PRO 27 2HB PRO 27 -2.280 7.519 -16.574 225 HB3 PRO 27 3HB PRO 27 -3.836 6.697 -16.320 226 HG2 PRO 27 2HG PRO 27 -3.187 9.611 -16.035 227 HG3 PRO 27 3HG PRO 27 -4.609 8.844 -16.777 228 HD2 PRO 27 2HD PRO 27 -4.531 9.847 -14.170 229 HD3 PRO 27 3HD PRO 27 -5.700 8.642 -14.756 230 H ASN 28 H ASN 28 -2.404 9.232 -12.919 231 HA ASN 28 HA ASN 28 0.387 9.668 -13.686 232 HB2 ASN 28 2HB ASN 28 -1.346 11.268 -11.740 233 HB3 ASN 28 3HB ASN 28 0.244 11.735 -12.338 234 HD21 ASN 28 1HD2 ASN 28 -3.126 11.446 -13.100 235 HD22 ASN 28 2HD2 ASN 28 -3.082 12.336 -14.582 236 H VAL 29 H VAL 29 -1.424 8.278 -11.055 237 HA VAL 29 HA VAL 29 0.315 8.479 -8.882 238 HB VAL 29 HB VAL 29 -1.371 6.016 -9.550 239 HG11 VAL 29 1HG1 VAL 29 -1.443 5.651 -7.096 240 HG12 VAL 29 2HG1 VAL 29 -0.372 7.034 -6.859 241 HG13 VAL 29 3HG1 VAL 29 0.212 5.605 -7.712 242 HG21 VAL 29 1HG2 VAL 29 -2.779 8.005 -9.659 243 HG22 VAL 29 2HG2 VAL 29 -2.233 8.511 -8.062 244 HG23 VAL 29 3HG2 VAL 29 -3.189 7.039 -8.241 245 H LYS 30 H LYS 30 2.376 7.734 -8.586 246 HA LYS 30 HA LYS 30 3.688 6.033 -10.471 247 HB2 LYS 30 2HB LYS 30 4.922 7.770 -9.184 248 HB3 LYS 30 3HB LYS 30 4.605 6.893 -7.690 249 HG2 LYS 30 2HG LYS 30 6.914 6.523 -8.523 250 HG3 LYS 30 3HG LYS 30 5.986 5.020 -8.446 251 HD2 LYS 30 2HD LYS 30 5.514 5.273 -10.925 252 HD3 LYS 30 3HD LYS 30 6.608 6.658 -10.940 253 HE2 LYS 30 2HE LYS 30 7.405 3.849 -10.120 254 HE3 LYS 30 3HE LYS 30 7.637 4.521 -11.730 255 HZ1 LYS 30 1HZ LYS 30 8.881 5.485 -9.217 256 HZ2 LYS 30 2HZ LYS 30 9.041 6.247 -10.716 257 HZ3 LYS 30 3HZ LYS 30 9.653 4.688 -10.495 258 H THR 31 H THR 31 3.869 3.822 -10.462 259 HA THR 31 HA THR 31 3.094 2.310 -8.027 260 HB THR 31 HB THR 31 2.062 0.587 -9.601 261 HG1 THR 31 HG1 THR 31 1.439 1.432 -11.686 262 HG21 THR 31 1HG2 THR 31 0.728 3.318 -9.628 263 HG22 THR 31 2HG2 THR 31 0.623 2.141 -8.316 264 HG23 THR 31 3HG2 THR 31 -0.071 1.763 -9.893 265 H VAL 32 H VAL 32 4.378 0.657 -7.507 266 HA VAL 32 HA VAL 32 6.300 -0.506 -9.428 267 HB VAL 32 HB VAL 32 7.211 0.531 -6.683 268 HG11 VAL 32 1HG1 VAL 32 8.837 -0.878 -8.834 269 HG12 VAL 32 2HG1 VAL 32 8.349 -1.564 -7.283 270 HG13 VAL 32 3HG1 VAL 32 9.476 -0.209 -7.328 271 HG21 VAL 32 1HG2 VAL 32 6.992 2.404 -8.256 272 HG22 VAL 32 2HG2 VAL 32 8.005 1.562 -9.429 273 HG23 VAL 32 3HG2 VAL 32 8.693 2.094 -7.891 274 H ARG 33 H ARG 33 6.447 -2.716 -9.117 275 HA ARG 33 HA ARG 33 5.230 -3.863 -6.664 276 HB2 ARG 33 2HB ARG 33 3.965 -4.508 -8.680 277 HB3 ARG 33 3HB ARG 33 5.427 -5.125 -9.444 278 HG2 ARG 33 2HG ARG 33 5.565 -6.971 -7.941 279 HG3 ARG 33 3HG ARG 33 4.410 -6.249 -6.820 280 HD2 ARG 33 2HD ARG 33 3.356 -8.074 -8.011 281 HD3 ARG 33 3HD ARG 33 2.614 -6.554 -8.502 282 HE ARG 33 HE ARG 33 4.243 -6.764 -10.488 283 HH11 ARG 33 1HH1 ARG 33 2.619 -9.508 -8.970 284 HH12 ARG 33 2HH1 ARG 33 2.622 -10.457 -10.425 285 HH21 ARG 33 1HH2 ARG 33 4.218 -8.016 -12.373 286 HH22 ARG 33 2HH2 ARG 33 3.527 -9.609 -12.351 287 H THR 34 H THR 34 7.023 -3.775 -5.437 288 HA THR 34 HA THR 34 9.379 -5.401 -6.213 289 HB THR 34 HB THR 34 10.073 -3.089 -6.285 290 HG1 THR 34 HG1 THR 34 11.073 -3.671 -3.751 291 HG21 THR 34 1HG2 THR 34 8.959 -2.753 -3.479 292 HG22 THR 34 2HG2 THR 34 8.294 -2.032 -4.948 293 HG23 THR 34 3HG2 THR 34 9.890 -1.546 -4.368 294 H ASP 35 H ASP 35 10.138 -6.826 -4.688 295 HA ASP 35 HA ASP 35 8.780 -7.057 -2.104 296 HB2 ASP 35 2HB ASP 35 10.032 -9.160 -1.813 297 HB3 ASP 35 3HB ASP 35 9.196 -9.134 -3.359 298 H ASP 36 H ASP 36 11.687 -5.754 -3.448 299 HA ASP 36 HA ASP 36 13.339 -5.746 -1.111 300 HB2 ASP 36 2HB ASP 36 13.458 -3.938 -3.571 301 HB3 ASP 36 3HB ASP 36 14.719 -4.079 -2.345 302 H LYS 37 H LYS 37 12.636 -4.733 0.679 303 HA LYS 37 HA LYS 37 10.977 -2.467 0.820 304 HB2 LYS 37 2HB LYS 37 11.557 -2.324 3.220 305 HB3 LYS 37 3HB LYS 37 11.099 -3.941 2.733 306 HG2 LYS 37 2HG LYS 37 13.998 -3.130 3.092 307 HG3 LYS 37 3HG LYS 37 13.000 -3.713 4.424 308 HD2 LYS 37 2HD LYS 37 12.567 -5.802 2.991 309 HD3 LYS 37 3HD LYS 37 13.867 -5.224 1.939 310 HE2 LYS 37 2HE LYS 37 14.092 -5.948 4.880 311 HE3 LYS 37 3HE LYS 37 14.733 -6.867 3.525 312 HZ1 LYS 37 1HZ LYS 37 16.219 -4.996 3.047 313 HZ2 LYS 37 2HZ LYS 37 16.472 -5.622 4.595 314 HZ3 LYS 37 3HZ LYS 37 15.628 -4.172 4.397 315 H GLU 38 H GLU 38 14.398 -2.738 0.341 316 HA GLU 38 HA GLU 38 15.268 -0.115 0.874 317 HB2 GLU 38 2HB GLU 38 16.230 -2.191 -1.139 318 HB3 GLU 38 3HB GLU 38 17.020 -0.627 -0.967 319 HG2 GLU 38 2HG GLU 38 18.198 -2.404 0.254 320 HG3 GLU 38 3HG GLU 38 17.635 -1.119 1.319 321 H LYS 39 H LYS 39 14.072 -1.575 -2.136 322 HA LYS 39 HA LYS 39 14.235 0.656 -3.810 323 HB2 LYS 39 2HB LYS 39 14.003 -1.607 -4.696 324 HB3 LYS 39 3HB LYS 39 12.427 -1.786 -3.943 325 HG2 LYS 39 2HG LYS 39 12.228 -1.449 -6.362 326 HG3 LYS 39 3HG LYS 39 11.474 -0.118 -5.478 327 HD2 LYS 39 2HD LYS 39 13.447 1.299 -5.919 328 HD3 LYS 39 3HD LYS 39 14.239 -0.037 -6.761 329 HE2 LYS 39 2HE LYS 39 12.597 0.014 -8.534 330 HE3 LYS 39 3HE LYS 39 11.581 1.152 -7.640 331 HZ1 LYS 39 1HZ LYS 39 12.834 2.276 -9.352 332 HZ2 LYS 39 2HZ LYS 39 14.290 1.719 -8.717 333 HZ3 LYS 39 3HZ LYS 39 13.346 2.805 -7.833 334 H VAL 40 H VAL 40 11.591 -0.483 -1.730 335 HA VAL 40 HA VAL 40 9.525 1.199 -2.551 336 HB VAL 40 HB VAL 40 10.016 0.284 0.326 337 HG11 VAL 40 1HG1 VAL 40 8.265 1.997 0.137 338 HG12 VAL 40 2HG1 VAL 40 7.550 0.436 0.540 339 HG13 VAL 40 3HG1 VAL 40 7.445 1.053 -1.108 340 HG21 VAL 40 1HG2 VAL 40 8.566 -1.202 -1.901 341 HG22 VAL 40 2HG2 VAL 40 8.652 -1.710 -0.211 342 HG23 VAL 40 3HG2 VAL 40 10.116 -1.652 -1.193 343 H LYS 41 H LYS 41 12.001 1.736 -0.038 344 HA LYS 41 HA LYS 41 10.989 4.196 0.946 345 HB2 LYS 41 2HB LYS 41 13.799 3.041 1.138 346 HB3 LYS 41 3HB LYS 41 13.197 4.402 2.087 347 HG2 LYS 41 2HG LYS 41 11.559 2.982 3.188 348 HG3 LYS 41 3HG LYS 41 12.018 1.611 2.169 349 HD2 LYS 41 2HD LYS 41 14.348 1.766 3.145 350 HD3 LYS 41 3HD LYS 41 13.741 2.990 4.266 351 HE2 LYS 41 2HE LYS 41 12.192 1.371 5.241 352 HE3 LYS 41 3HE LYS 41 12.678 0.153 4.053 353 HZ1 LYS 41 1HZ LYS 41 14.487 1.367 6.079 354 HZ2 LYS 41 2HZ LYS 41 14.888 0.139 4.985 355 HZ3 LYS 41 3HZ LYS 41 13.762 -0.154 6.208 356 H GLU 42 H GLU 42 13.429 3.433 -1.507 357 HA GLU 42 HA GLU 42 14.376 6.015 -2.102 358 HB2 GLU 42 2HB GLU 42 13.987 3.655 -4.006 359 HB3 GLU 42 3HB GLU 42 14.980 5.070 -4.344 360 HG2 GLU 42 2HG GLU 42 16.478 4.478 -2.481 361 HG3 GLU 42 3HG GLU 42 15.479 3.071 -2.115 362 H GLU 43 H GLU 43 11.687 4.152 -3.451 363 HA GLU 43 HA GLU 43 10.773 6.068 -5.317 364 HB2 GLU 43 2HB GLU 43 9.320 3.706 -4.042 365 HB3 GLU 43 3HB GLU 43 8.747 4.611 -5.436 366 HG2 GLU 43 2HG GLU 43 11.242 2.916 -5.307 367 HG3 GLU 43 3HG GLU 43 9.741 2.518 -6.141 368 H ILE 44 H ILE 44 10.025 5.548 -1.909 369 HA ILE 44 HA ILE 44 7.664 7.021 -1.588 370 HB ILE 44 HB ILE 44 9.981 6.461 0.316 371 HG12 ILE 44 2HG1 ILE 44 7.107 5.431 0.246 372 HG13 ILE 44 3HG1 ILE 44 8.521 4.549 -0.309 373 HG21 ILE 44 1HG2 ILE 44 9.054 8.602 1.073 374 HG22 ILE 44 2HG2 ILE 44 8.633 7.323 2.212 375 HG23 ILE 44 3HG2 ILE 44 7.425 7.923 1.072 376 HD11 ILE 44 1HD1 ILE 44 7.903 5.348 2.530 377 HD12 ILE 44 2HD1 ILE 44 9.381 4.536 2.004 378 HD13 ILE 44 3HD1 ILE 44 7.822 3.730 1.832 379 H GLU 45 H GLU 45 11.054 8.090 -1.304 380 HA GLU 45 HA GLU 45 10.577 10.819 -0.741 381 HB2 GLU 45 2HB GLU 45 13.015 9.592 -2.089 382 HB3 GLU 45 3HB GLU 45 12.953 11.171 -1.310 383 HG2 GLU 45 2HG GLU 45 12.568 10.104 0.862 384 HG3 GLU 45 3HG GLU 45 12.586 8.511 0.100 385 H LYS 46 H LYS 46 10.965 9.072 -3.776 386 HA LYS 46 HA LYS 46 11.400 11.306 -5.481 387 HB2 LYS 46 2HB LYS 46 10.425 8.490 -6.140 388 HB3 LYS 46 3HB LYS 46 10.963 9.672 -7.332 389 HG2 LYS 46 2HG LYS 46 13.222 9.679 -6.324 390 HG3 LYS 46 3HG LYS 46 12.681 8.525 -5.105 391 HD2 LYS 46 2HD LYS 46 13.938 7.360 -6.834 392 HD3 LYS 46 3HD LYS 46 12.248 6.853 -6.891 393 HE2 LYS 46 2HE LYS 46 13.209 7.212 -9.147 394 HE3 LYS 46 3HE LYS 46 11.855 8.298 -8.830 395 HZ1 LYS 46 1HZ LYS 46 14.735 9.022 -8.617 396 HZ2 LYS 46 2HZ LYS 46 13.434 10.063 -8.342 397 HZ3 LYS 46 3HZ LYS 46 13.706 9.448 -9.888 398 H ALA 47 H ALA 47 8.507 9.217 -5.107 399 HA ALA 47 HA ALA 47 6.765 10.781 -6.685 400 HB1 ALA 47 1HB ALA 47 6.062 8.790 -4.505 401 HB2 ALA 47 2HB ALA 47 6.375 8.401 -6.196 402 HB3 ALA 47 3HB ALA 47 4.972 9.381 -5.772 403 H ARG 48 H ARG 48 7.557 10.911 -3.250 404 HA ARG 48 HA ARG 48 5.576 12.607 -2.244 405 HB2 ARG 48 2HB ARG 48 7.264 11.513 -0.820 406 HB3 ARG 48 3HB ARG 48 8.541 12.478 -1.549 407 HG2 ARG 48 2HG ARG 48 7.432 14.533 -0.589 408 HG3 ARG 48 3HG ARG 48 6.306 13.465 0.250 409 HD2 ARG 48 2HD ARG 48 8.246 12.393 1.412 410 HD3 ARG 48 3HD ARG 48 9.323 13.553 0.620 411 HE ARG 48 HE ARG 48 7.209 14.853 2.040 412 HH11 ARG 48 1HH1 ARG 48 10.351 13.316 2.549 413 HH12 ARG 48 2HH1 ARG 48 10.666 14.208 4.005 414 HH21 ARG 48 1HH2 ARG 48 7.629 15.967 3.946 415 HH22 ARG 48 2HH2 ARG 48 9.119 15.714 4.801 416 H LYS 49 H LYS 49 8.756 13.496 -3.629 417 HA LYS 49 HA LYS 49 8.333 16.321 -3.435 418 HB2 LYS 49 2HB LYS 49 10.442 14.670 -4.867 419 HB3 LYS 49 3HB LYS 49 10.454 16.431 -4.857 420 HG2 LYS 49 2HG LYS 49 10.662 16.423 -2.396 421 HG3 LYS 49 3HG LYS 49 10.632 14.658 -2.402 422 HD2 LYS 49 2HD LYS 49 12.931 15.395 -2.166 423 HD3 LYS 49 3HD LYS 49 12.739 14.653 -3.752 424 HE2 LYS 49 2HE LYS 49 12.629 17.659 -3.343 425 HE3 LYS 49 3HE LYS 49 14.138 16.802 -3.623 426 HZ1 LYS 49 1HZ LYS 49 13.194 16.006 -5.752 427 HZ2 LYS 49 2HZ LYS 49 13.339 17.686 -5.673 428 HZ3 LYS 49 3HZ LYS 49 11.828 16.968 -5.486 429 H GLN 50 H GLN 50 7.659 13.936 -5.911 430 HA GLN 50 HA GLN 50 7.167 15.749 -8.079 431 HB2 GLN 50 2HB GLN 50 6.137 12.921 -7.581 432 HB3 GLN 50 3HB GLN 50 5.872 13.818 -9.077 433 HG2 GLN 50 2HG GLN 50 8.296 13.914 -9.463 434 HG3 GLN 50 3HG GLN 50 8.578 13.039 -7.961 435 HE21 GLN 50 1HE2 GLN 50 7.472 12.783 -11.263 436 HE22 GLN 50 2HE2 GLN 50 7.467 11.055 -11.333 437 H GLY 51 H GLY 51 5.401 14.869 -5.246 438 HA2 GLY 51 2HA GLY 51 3.522 15.829 -4.327 439 HA3 GLY 51 3HA GLY 51 3.336 16.822 -5.767 440 H ARG 52 H ARG 52 3.644 13.367 -5.988 441 HA ARG 52 HA ARG 52 0.739 13.049 -6.497 442 HB2 ARG 52 2HB ARG 52 1.283 11.358 -8.224 443 HB3 ARG 52 3HB ARG 52 1.932 12.940 -8.632 444 HG2 ARG 52 2HG ARG 52 4.182 12.167 -7.826 445 HG3 ARG 52 3HG ARG 52 3.495 10.555 -7.597 446 HD2 ARG 52 2HD ARG 52 4.697 10.753 -9.759 447 HD3 ARG 52 3HD ARG 52 2.978 10.408 -9.999 448 HE ARG 52 HE ARG 52 3.721 13.223 -10.049 449 HH11 ARG 52 1HH1 ARG 52 3.150 10.370 -12.058 450 HH12 ARG 52 2HH1 ARG 52 2.892 11.313 -13.496 451 HH21 ARG 52 1HH2 ARG 52 3.334 14.411 -11.916 452 HH22 ARG 52 2HH2 ARG 52 2.995 13.595 -13.415 453 HA PRO 53 HA PRO 53 1.106 9.606 -3.569 454 HB2 PRO 53 2HB PRO 53 -0.854 7.893 -4.388 455 HB3 PRO 53 3HB PRO 53 -1.233 9.457 -3.631 456 HG2 PRO 53 2HG PRO 53 -1.178 8.758 -6.552 457 HG3 PRO 53 3HG PRO 53 -2.418 9.647 -5.638 458 HD2 PRO 53 2HD PRO 53 -0.535 10.925 -7.126 459 HD3 PRO 53 3HD PRO 53 -1.185 11.623 -5.623 460 H ILE 54 H ILE 54 1.315 7.163 -3.578 461 HA ILE 54 HA ILE 54 2.350 5.958 -6.012 462 HB ILE 54 HB ILE 54 4.346 7.028 -5.070 463 HG12 ILE 54 2HG1 ILE 54 4.473 4.022 -4.596 464 HG13 ILE 54 3HG1 ILE 54 4.542 4.788 -6.181 465 HG21 ILE 54 1HG2 ILE 54 3.870 5.451 -2.524 466 HG22 ILE 54 2HG2 ILE 54 3.696 7.196 -2.706 467 HG23 ILE 54 3HG2 ILE 54 5.286 6.448 -2.870 468 HD11 ILE 54 1HD1 ILE 54 6.539 5.113 -3.957 469 HD12 ILE 54 2HD1 ILE 54 6.598 5.941 -5.516 470 HD13 ILE 54 3HD1 ILE 54 6.737 4.185 -5.442 471 H VAL 55 H VAL 55 1.987 3.772 -6.053 472 HA VAL 55 HA VAL 55 0.979 2.458 -3.603 473 HB VAL 55 HB VAL 55 0.001 1.846 -6.441 474 HG11 VAL 55 1HG1 VAL 55 -0.116 -0.075 -4.910 475 HG12 VAL 55 2HG1 VAL 55 -1.735 0.512 -5.288 476 HG13 VAL 55 3HG1 VAL 55 -1.004 0.894 -3.728 477 HG21 VAL 55 1HG2 VAL 55 -1.442 3.423 -4.273 478 HG22 VAL 55 2HG2 VAL 55 -2.127 2.938 -5.827 479 HG23 VAL 55 3HG2 VAL 55 -0.788 4.085 -5.774 480 H ILE 56 H ILE 56 2.308 0.943 -3.017 481 HA ILE 56 HA ILE 56 4.214 -0.300 -4.882 482 HB ILE 56 HB ILE 56 4.355 0.014 -1.840 483 HG12 ILE 56 2HG1 ILE 56 4.785 2.131 -3.158 484 HG13 ILE 56 3HG1 ILE 56 6.168 1.603 -2.212 485 HG21 ILE 56 1HG2 ILE 56 6.378 -1.260 -3.731 486 HG22 ILE 56 2HG2 ILE 56 5.399 -2.098 -2.522 487 HG23 ILE 56 3HG2 ILE 56 6.634 -0.949 -2.012 488 HD11 ILE 56 1HD1 ILE 56 6.863 2.401 -4.377 489 HD12 ILE 56 2HD1 ILE 56 5.805 1.249 -5.185 490 HD13 ILE 56 3HD1 ILE 56 7.192 0.674 -4.254 491 H PHE 57 H PHE 57 4.109 -2.460 -5.150 492 HA PHE 57 HA PHE 57 2.086 -4.019 -3.649 493 HB2 PHE 57 2HB PHE 57 3.087 -4.421 -6.507 494 HB3 PHE 57 3HB PHE 57 1.842 -5.363 -5.704 495 HD1 PHE 57 HD1 PHE 57 -0.397 -4.368 -5.253 496 HD2 PHE 57 HD2 PHE 57 2.587 -2.234 -7.460 497 HE1 PHE 57 HE1 PHE 57 -2.109 -2.814 -6.083 498 HE2 PHE 57 HE2 PHE 57 0.861 -0.687 -8.285 499 HZ PHE 57 HZ PHE 57 -1.484 -0.977 -7.594 500 H ILE 58 H ILE 58 3.194 -5.174 -2.180 501 HA ILE 58 HA ILE 58 5.834 -6.330 -2.848 502 HB ILE 58 HB ILE 58 4.655 -6.013 -0.046 503 HG12 ILE 58 2HG1 ILE 58 6.605 -4.125 -1.454 504 HG13 ILE 58 3HG1 ILE 58 4.905 -3.774 -1.163 505 HG21 ILE 58 1HG2 ILE 58 6.988 -6.335 0.698 506 HG22 ILE 58 2HG2 ILE 58 7.519 -6.479 -0.977 507 HG23 ILE 58 3HG2 ILE 58 6.460 -7.706 -0.283 508 HD11 ILE 58 1HD1 ILE 58 7.005 -4.199 0.954 509 HD12 ILE 58 2HD1 ILE 58 5.296 -3.847 1.238 510 HD13 ILE 58 3HD1 ILE 58 6.320 -2.659 0.434 511 H ARG 59 H ARG 59 5.911 -8.458 -3.189 512 HA ARG 59 HA ARG 59 3.613 -10.143 -2.722 513 HB2 ARG 59 2HB ARG 59 4.976 -10.366 -4.792 514 HB3 ARG 59 3HB ARG 59 6.353 -10.901 -3.830 515 HG2 ARG 59 2HG ARG 59 5.063 -12.861 -3.070 516 HG3 ARG 59 3HG ARG 59 3.672 -12.320 -4.011 517 HD2 ARG 59 2HD ARG 59 4.774 -14.051 -5.233 518 HD3 ARG 59 3HD ARG 59 5.067 -12.532 -6.077 519 HE ARG 59 HE ARG 59 7.284 -12.644 -4.717 520 HH11 ARG 59 1HH1 ARG 59 5.658 -15.354 -6.288 521 HH12 ARG 59 2HH1 ARG 59 7.132 -16.225 -6.560 522 HH21 ARG 59 1HH2 ARG 59 9.192 -13.787 -5.081 523 HH22 ARG 59 2HH2 ARG 59 9.144 -15.330 -5.873 524 H GLY 60 H GLY 60 3.263 -10.755 -0.682 525 HA2 GLY 60 2HA GLY 60 3.432 -11.959 1.250 526 HA3 GLY 60 3HA GLY 60 4.821 -12.769 0.542 527 H ALA 61 H ALA 61 3.982 -9.568 1.902 528 HA ALA 61 HA ALA 61 6.663 -9.234 3.030 529 HB1 ALA 61 1HB ALA 61 5.581 -7.328 1.889 530 HB2 ALA 61 2HB ALA 61 5.911 -6.961 3.580 531 HB3 ALA 61 3HB ALA 61 4.271 -7.361 3.068 532 H THR 62 H THR 62 7.045 -10.092 4.986 533 HA THR 62 HA THR 62 4.979 -10.573 6.974 534 HB THR 62 HB THR 62 6.847 -12.184 6.730 535 HG1 THR 62 HG1 THR 62 6.910 -12.560 8.839 536 HG21 THR 62 1HG2 THR 62 8.654 -9.962 7.749 537 HG22 THR 62 2HG2 THR 62 8.675 -10.636 6.120 538 HG23 THR 62 3HG2 THR 62 9.130 -11.645 7.494 539 H GLU 63 H GLU 63 5.674 -9.817 9.352 540 HA GLU 63 HA GLU 63 4.948 -7.145 9.518 541 HB2 GLU 63 2HB GLU 63 6.453 -8.738 11.630 542 HB3 GLU 63 3HB GLU 63 5.589 -7.230 11.918 543 HG2 GLU 63 2HG GLU 63 3.466 -8.336 11.323 544 HG3 GLU 63 3HG GLU 63 4.336 -9.849 11.051 545 H GLU 64 H GLU 64 8.211 -8.509 9.987 546 HA GLU 64 HA GLU 64 9.498 -6.165 10.827 547 HB2 GLU 64 2HB GLU 64 11.602 -7.385 10.442 548 HB3 GLU 64 3HB GLU 64 10.406 -8.410 11.229 549 HG2 GLU 64 2HG GLU 64 9.884 -9.426 8.995 550 HG3 GLU 64 3HG GLU 64 11.198 -8.475 8.306 551 H VAL 65 H VAL 65 8.726 -7.212 7.582 552 HA VAL 65 HA VAL 65 10.402 -5.240 6.260 553 HB VAL 65 HB VAL 65 8.200 -7.063 5.174 554 HG11 VAL 65 1HG1 VAL 65 9.104 -6.577 2.921 555 HG12 VAL 65 2HG1 VAL 65 10.221 -5.404 3.620 556 HG13 VAL 65 3HG1 VAL 65 8.483 -5.118 3.701 557 HG21 VAL 65 1HG2 VAL 65 10.114 -8.323 6.080 558 HG22 VAL 65 2HG2 VAL 65 11.224 -7.396 5.069 559 HG23 VAL 65 3HG2 VAL 65 10.043 -8.477 4.322 560 H VAL 66 H VAL 66 6.884 -5.745 6.818 561 HA VAL 66 HA VAL 66 5.944 -3.490 5.413 562 HB VAL 66 HB VAL 66 4.555 -4.852 7.772 563 HG11 VAL 66 1HG1 VAL 66 3.378 -3.160 5.524 564 HG12 VAL 66 2HG1 VAL 66 3.532 -2.683 7.216 565 HG13 VAL 66 3HG1 VAL 66 2.449 -4.002 6.770 566 HG21 VAL 66 1HG2 VAL 66 5.146 -6.487 6.018 567 HG22 VAL 66 2HG2 VAL 66 4.318 -5.505 4.810 568 HG23 VAL 66 3HG2 VAL 66 3.399 -6.261 6.116 569 H ARG 67 H ARG 67 6.300 -3.915 8.957 570 HA ARG 67 HA ARG 67 5.546 -1.331 9.728 571 HB2 ARG 67 2HB ARG 67 6.388 -1.886 11.941 572 HB3 ARG 67 3HB ARG 67 5.619 -3.310 11.254 573 HG2 ARG 67 2HG ARG 67 7.912 -4.162 10.636 574 HG3 ARG 67 3HG ARG 67 8.599 -2.797 11.512 575 HD2 ARG 67 2HD ARG 67 7.602 -3.603 13.602 576 HD3 ARG 67 3HD ARG 67 6.811 -4.931 12.740 577 HE ARG 67 HE ARG 67 9.680 -4.878 12.417 578 HH11 ARG 67 1HH1 ARG 67 7.098 -6.039 14.526 579 HH12 ARG 67 2HH1 ARG 67 8.069 -7.308 15.200 580 HH21 ARG 67 1HH2 ARG 67 10.928 -6.560 13.337 581 HH22 ARG 67 2HH2 ARG 67 10.218 -7.597 14.533 582 H ASP 68 H ASP 68 8.635 -2.559 8.663 583 HA ASP 68 HA ASP 68 10.348 -0.469 9.579 584 HB2 ASP 68 2HB ASP 68 11.371 -2.566 9.137 585 HB3 ASP 68 3HB ASP 68 10.576 -2.738 7.582 586 H ILE 69 H ILE 69 8.704 -1.132 6.511 587 HA ILE 69 HA ILE 69 9.598 1.189 5.090 588 HB ILE 69 HB ILE 69 7.157 -0.597 4.692 589 HG12 ILE 69 2HG1 ILE 69 9.797 -0.563 3.161 590 HG13 ILE 69 3HG1 ILE 69 9.421 -1.697 4.456 591 HG21 ILE 69 1HG2 ILE 69 8.272 1.507 2.805 592 HG22 ILE 69 2HG2 ILE 69 6.722 1.577 3.649 593 HG23 ILE 69 3HG2 ILE 69 6.997 0.354 2.408 594 HD11 ILE 69 1HD1 ILE 69 7.536 -2.546 3.130 595 HD12 ILE 69 2HD1 ILE 69 9.093 -2.739 2.329 596 HD13 ILE 69 3HD1 ILE 69 7.994 -1.458 1.815 597 H VAL 70 H VAL 70 6.655 0.415 6.901 598 HA VAL 70 HA VAL 70 5.185 2.736 6.238 599 HB VAL 70 HB VAL 70 4.822 0.675 8.453 600 HG11 VAL 70 1HG1 VAL 70 2.872 2.854 7.624 601 HG12 VAL 70 2HG1 VAL 70 3.728 2.761 9.163 602 HG13 VAL 70 3HG1 VAL 70 2.527 1.541 8.751 603 HG21 VAL 70 1HG2 VAL 70 3.050 -0.220 6.977 604 HG22 VAL 70 2HG2 VAL 70 4.603 -0.175 6.139 605 HG23 VAL 70 3HG2 VAL 70 3.384 1.051 5.794 606 H GLU 71 H GLU 71 7.254 1.925 9.040 607 HA GLU 71 HA GLU 71 6.679 4.244 10.545 608 HB2 GLU 71 2HB GLU 71 8.617 3.738 11.910 609 HB3 GLU 71 3HB GLU 71 7.743 2.264 11.549 610 HG2 GLU 71 2HG GLU 71 9.867 1.483 11.275 611 HG3 GLU 71 3HG GLU 71 9.572 2.029 9.632 612 H TYR 72 H TYR 72 9.069 3.583 8.025 613 HA TYR 72 HA TYR 72 10.512 5.992 8.137 614 HB2 TYR 72 2HB TYR 72 11.340 4.054 6.865 615 HB3 TYR 72 3HB TYR 72 9.968 4.144 5.764 616 HD1 TYR 72 HD1 TYR 72 12.938 6.122 6.933 617 HD2 TYR 72 HD2 TYR 72 10.160 5.426 3.763 618 HE1 TYR 72 HE1 TYR 72 14.193 7.663 5.496 619 HE2 TYR 72 HE2 TYR 72 11.422 6.965 2.319 620 HH TYR 72 HH TYR 72 12.975 8.925 2.657 621 H ALA 73 H ALA 73 7.686 5.065 6.171 622 HA ALA 73 HA ALA 73 7.418 7.512 4.772 623 HB1 ALA 73 1HB ALA 73 5.345 5.357 5.272 624 HB2 ALA 73 2HB ALA 73 6.515 5.376 3.954 625 HB3 ALA 73 3HB ALA 73 5.261 6.614 4.029 626 H GLN 74 H GLN 74 6.075 6.401 7.865 627 HA GLN 74 HA GLN 74 4.332 8.655 8.260 628 HB2 GLN 74 2HB GLN 74 5.457 6.607 10.214 629 HB3 GLN 74 3HB GLN 74 4.329 7.877 10.688 630 HG2 GLN 74 2HG GLN 74 2.645 6.956 9.130 631 HG3 GLN 74 3HG GLN 74 3.766 5.671 8.681 632 HE21 GLN 74 1HE2 GLN 74 1.661 6.896 11.177 633 HE22 GLN 74 2HE2 GLN 74 1.660 5.473 12.160 634 H LYS 75 H LYS 75 7.701 7.915 9.065 635 HA LYS 75 HA LYS 75 8.188 10.235 10.686 636 HB2 LYS 75 2HB LYS 75 10.057 8.247 9.331 637 HB3 LYS 75 3HB LYS 75 10.665 9.624 10.249 638 HG2 LYS 75 2HG LYS 75 9.601 8.801 12.292 639 HG3 LYS 75 3HG LYS 75 8.844 7.482 11.396 640 HD2 LYS 75 2HD LYS 75 10.792 6.654 12.638 641 HD3 LYS 75 3HD LYS 75 11.074 6.522 10.902 642 HE2 LYS 75 2HE LYS 75 12.472 8.551 10.970 643 HE3 LYS 75 3HE LYS 75 12.159 8.724 12.699 644 HZ1 LYS 75 1HZ LYS 75 14.299 7.685 12.277 645 HZ2 LYS 75 2HZ LYS 75 13.558 6.428 11.426 646 HZ3 LYS 75 3HZ LYS 75 13.269 6.616 13.079 647 H GLU 76 H GLU 76 8.277 9.603 7.230 648 HA GLU 76 HA GLU 76 9.552 12.020 6.386 649 HB2 GLU 76 2HB GLU 76 7.463 10.305 4.952 650 HB3 GLU 76 3HB GLU 76 8.402 11.580 4.190 651 HG2 GLU 76 2HG GLU 76 9.568 9.053 5.382 652 HG3 GLU 76 3HG GLU 76 9.203 9.283 3.679 653 H GLY 77 H GLY 77 6.414 11.244 7.623 654 HA2 GLY 77 2HA GLY 77 4.702 12.624 8.334 655 HA3 GLY 77 3HA GLY 77 5.458 13.998 7.530 656 H LEU 78 H LEU 78 4.483 10.802 6.293 657 HA LEU 78 HA LEU 78 2.849 12.127 4.197 658 HB2 LEU 78 2HB LEU 78 4.407 9.509 4.026 659 HB3 LEU 78 3HB LEU 78 3.426 10.199 2.738 660 HG LEU 78 HG LEU 78 6.026 11.302 3.853 661 HD11 LEU 78 1HD1 LEU 78 6.305 9.459 2.277 662 HD12 LEU 78 2HD1 LEU 78 6.882 10.973 1.586 663 HD13 LEU 78 3HD1 LEU 78 5.327 10.309 1.077 664 HD21 LEU 78 1HD2 LEU 78 4.565 13.200 3.458 665 HD22 LEU 78 2HD2 LEU 78 4.179 12.617 1.839 666 HD23 LEU 78 3HD2 LEU 78 5.818 13.147 2.221 667 H ARG 79 H ARG 79 0.960 11.052 3.485 668 HA ARG 79 HA ARG 79 -0.524 9.705 5.536 669 HB2 ARG 79 2HB ARG 79 -1.552 11.389 4.016 670 HB3 ARG 79 3HB ARG 79 -1.259 10.328 2.642 671 HG2 ARG 79 2HG ARG 79 -2.777 8.641 3.667 672 HG3 ARG 79 3HG ARG 79 -3.108 9.758 4.986 673 HD2 ARG 79 2HD ARG 79 -3.712 10.311 2.056 674 HD3 ARG 79 3HD ARG 79 -4.893 9.740 3.239 675 HE ARG 79 HE ARG 79 -3.801 12.412 2.981 676 HH11 ARG 79 1HH1 ARG 79 -5.584 10.207 5.081 677 HH12 ARG 79 2HH1 ARG 79 -6.265 11.484 6.036 678 HH21 ARG 79 1HH2 ARG 79 -4.665 14.065 4.289 679 HH22 ARG 79 2HH2 ARG 79 -5.742 13.665 5.582 680 H VAL 80 H VAL 80 -0.096 7.584 5.911 681 HA VAL 80 HA VAL 80 0.701 5.797 3.698 682 HB VAL 80 HB VAL 80 0.879 5.187 6.693 683 HG11 VAL 80 1HG1 VAL 80 0.920 3.193 5.245 684 HG12 VAL 80 2HG1 VAL 80 2.503 3.451 5.981 685 HG13 VAL 80 3HG1 VAL 80 2.236 3.887 4.290 686 HG21 VAL 80 1HG2 VAL 80 2.230 7.183 6.211 687 HG22 VAL 80 2HG2 VAL 80 3.044 6.340 4.891 688 HG23 VAL 80 3HG2 VAL 80 3.274 5.801 6.558 689 H LEU 81 H LEU 81 -0.758 4.437 2.889 690 HA LEU 81 HA LEU 81 -3.059 3.469 4.524 691 HB2 LEU 81 2HB LEU 81 -2.912 4.031 1.516 692 HB3 LEU 81 3HB LEU 81 -4.211 3.143 2.278 693 HG LEU 81 HG LEU 81 -5.015 5.329 1.798 694 HD11 LEU 81 1HD1 LEU 81 -5.794 4.396 3.904 695 HD12 LEU 81 2HD1 LEU 81 -5.722 6.155 3.967 696 HD13 LEU 81 3HD1 LEU 81 -4.475 5.193 4.767 697 HD21 LEU 81 1HD2 LEU 81 -2.693 6.504 3.334 698 HD22 LEU 81 2HD2 LEU 81 -4.021 7.397 2.591 699 HD23 LEU 81 3HD2 LEU 81 -2.885 6.508 1.579 700 H VAL 82 H VAL 82 -2.806 1.276 4.916 701 HA VAL 82 HA VAL 82 -1.255 -0.306 2.928 702 HB VAL 82 HB VAL 82 -1.357 -0.831 5.931 703 HG11 VAL 82 1HG1 VAL 82 0.241 -2.259 3.772 704 HG12 VAL 82 2HG1 VAL 82 -1.123 -2.929 4.670 705 HG13 VAL 82 3HG1 VAL 82 0.381 -2.545 5.509 706 HG21 VAL 82 1HG2 VAL 82 -0.045 1.175 5.438 707 HG22 VAL 82 2HG2 VAL 82 0.896 0.291 4.235 708 HG23 VAL 82 3HG2 VAL 82 1.022 -0.139 5.942 709 H ILE 83 H ILE 83 -2.462 -1.659 1.843 710 HA ILE 83 HA ILE 83 -4.822 -2.975 3.041 711 HB ILE 83 HB ILE 83 -3.840 -2.968 0.139 712 HG12 ILE 83 2HG1 ILE 83 -6.194 -1.585 1.475 713 HG13 ILE 83 3HG1 ILE 83 -4.790 -0.812 0.749 714 HG21 ILE 83 1HG2 ILE 83 -5.928 -4.149 -0.434 715 HG22 ILE 83 2HG2 ILE 83 -6.368 -4.227 1.272 716 HG23 ILE 83 3HG2 ILE 83 -4.957 -5.108 0.686 717 HD11 ILE 83 1HD1 ILE 83 -5.507 -1.642 -1.450 718 HD12 ILE 83 2HD1 ILE 83 -6.690 -0.591 -0.680 719 HD13 ILE 83 3HD1 ILE 83 -6.950 -2.333 -0.699 720 H MET 84 H MET 84 -4.752 -5.112 3.513 721 HA MET 84 HA MET 84 -2.566 -6.811 2.461 722 HB2 MET 84 2HB MET 84 -3.685 -6.694 5.303 723 HB3 MET 84 3HB MET 84 -2.730 -8.045 4.718 724 HG2 MET 84 2HG MET 84 -0.764 -6.796 4.665 725 HG3 MET 84 3HG MET 84 -1.611 -5.256 4.576 726 HE1 MET 84 1HE MET 84 -3.612 -5.039 6.914 727 HE2 MET 84 2HE MET 84 -2.351 -3.844 6.598 728 HE3 MET 84 3HE MET 84 -2.572 -4.487 8.225 729 H VAL 85 H VAL 85 -3.541 -8.211 1.118 730 HA VAL 85 HA VAL 85 -6.152 -9.438 1.784 731 HB VAL 85 HB VAL 85 -5.511 -8.045 -0.873 732 HG11 VAL 85 1HG1 VAL 85 -7.797 -9.989 -0.326 733 HG12 VAL 85 2HG1 VAL 85 -6.425 -10.277 -1.398 734 HG13 VAL 85 3HG1 VAL 85 -7.600 -9.025 -1.791 735 HG21 VAL 85 1HG2 VAL 85 -7.893 -7.746 1.003 736 HG22 VAL 85 2HG2 VAL 85 -7.623 -6.841 -0.489 737 HG23 VAL 85 3HG2 VAL 85 -6.537 -6.624 0.882 738 H ASP 86 H ASP 86 -5.811 -11.555 1.778 739 HA ASP 86 HA ASP 86 -4.577 -13.134 -0.190 740 HB2 ASP 86 2HB ASP 86 -2.500 -11.965 0.701 741 HB3 ASP 86 3HB ASP 86 -2.811 -12.667 2.279 742 H GLN 87 H GLN 87 -4.666 -15.435 0.468 743 HA GLN 87 HA GLN 87 -6.909 -15.918 2.164 744 HB2 GLN 87 2HB GLN 87 -6.695 -18.287 1.610 745 HB3 GLN 87 3HB GLN 87 -6.597 -17.295 0.169 746 HG2 GLN 87 2HG GLN 87 -4.062 -18.283 1.488 747 HG3 GLN 87 3HG GLN 87 -5.009 -19.345 0.452 748 HE21 GLN 87 1HE2 GLN 87 -2.990 -16.512 0.539 749 HE22 GLN 87 2HE2 GLN 87 -2.763 -16.380 -1.171 750 H ASP 88 H ASP 88 -3.615 -15.642 2.913 751 HA ASP 88 HA ASP 88 -3.714 -17.280 5.338 752 HB2 ASP 88 2HB ASP 88 -1.526 -15.615 4.021 753 HB3 ASP 88 3HB ASP 88 -1.324 -16.317 5.624 754 H GLN 89 H GLN 89 -5.692 -15.645 5.597 755 HA GLN 89 HA GLN 89 -5.450 -13.040 6.542 756 HB2 GLN 89 2HB GLN 89 -7.512 -15.191 7.164 757 HB3 GLN 89 3HB GLN 89 -7.690 -13.529 7.714 758 HG2 GLN 89 2HG GLN 89 -7.372 -14.220 4.785 759 HG3 GLN 89 3HG GLN 89 -8.939 -14.216 5.587 760 HE21 GLN 89 1HE2 GLN 89 -9.831 -12.245 6.260 761 HE22 GLN 89 2HE2 GLN 89 -9.243 -10.721 5.700 762 H GLU 90 H GLU 90 -4.755 -16.000 8.216 763 HA GLU 90 HA GLU 90 -4.836 -15.255 10.916 764 HB2 GLU 90 2HB GLU 90 -2.865 -17.137 9.548 765 HB3 GLU 90 3HB GLU 90 -3.243 -17.117 11.269 766 HG2 GLU 90 2HG GLU 90 -5.485 -17.913 10.861 767 HG3 GLU 90 3HG GLU 90 -5.289 -17.721 9.117 768 H GLU 91 H GLU 91 -2.147 -15.097 8.572 769 HA GLU 91 HA GLU 91 -0.317 -13.780 10.367 770 HB2 GLU 91 2HB GLU 91 0.381 -15.311 8.476 771 HB3 GLU 91 3HB GLU 91 -0.138 -14.079 7.336 772 HG2 GLU 91 2HG GLU 91 2.309 -14.080 7.663 773 HG3 GLU 91 3HG GLU 91 1.586 -12.545 8.139 774 H LEU 92 H LEU 92 -2.543 -12.808 7.806 775 HA LEU 92 HA LEU 92 -1.714 -10.119 7.503 776 HB2 LEU 92 2HB LEU 92 -4.208 -11.653 6.795 777 HB3 LEU 92 3HB LEU 92 -4.284 -9.901 6.747 778 HG LEU 92 HG LEU 92 -2.523 -9.815 5.045 779 HD11 LEU 92 1HD1 LEU 92 -2.434 -12.836 5.108 780 HD12 LEU 92 2HD1 LEU 92 -1.163 -11.751 5.670 781 HD13 LEU 92 3HD1 LEU 92 -1.594 -11.790 3.961 782 HD21 LEU 92 1HD2 LEU 92 -3.769 -10.815 3.185 783 HD22 LEU 92 2HD2 LEU 92 -4.841 -10.005 4.324 784 HD23 LEU 92 3HD2 LEU 92 -4.722 -11.767 4.328 785 H GLU 93 H GLU 93 -3.904 -11.663 9.823 786 HA GLU 93 HA GLU 93 -4.877 -9.259 11.035 787 HB2 GLU 93 2HB GLU 93 -4.877 -12.180 11.835 788 HB3 GLU 93 3HB GLU 93 -5.259 -10.974 13.058 789 HG2 GLU 93 2HG GLU 93 -6.736 -11.321 10.437 790 HG3 GLU 93 3HG GLU 93 -7.276 -11.917 12.003 791 H ARG 94 H ARG 94 -2.117 -11.365 11.649 792 HA ARG 94 HA ARG 94 -1.173 -10.236 14.042 793 HB2 ARG 94 2HB ARG 94 -0.353 -12.378 13.133 794 HB3 ARG 94 3HB ARG 94 0.346 -11.549 11.750 795 HG2 ARG 94 2HG ARG 94 2.103 -12.139 13.296 796 HG3 ARG 94 3HG ARG 94 1.923 -10.386 13.265 797 HD2 ARG 94 2HD ARG 94 0.628 -10.503 15.380 798 HD3 ARG 94 3HD ARG 94 0.870 -12.257 15.412 799 HE ARG 94 HE ARG 94 3.317 -10.710 15.240 800 HH11 ARG 94 1HH1 ARG 94 0.971 -12.106 17.464 801 HH12 ARG 94 2HH1 ARG 94 2.075 -12.159 18.802 802 HH21 ARG 94 1HH2 ARG 94 4.764 -10.777 17.009 803 HH22 ARG 94 2HH2 ARG 94 4.227 -11.403 18.540 804 H ILE 95 H ILE 95 -0.392 -9.445 10.645 805 HA ILE 95 HA ILE 95 1.333 -7.233 11.208 806 HB ILE 95 HB ILE 95 -0.145 -7.835 8.595 807 HG12 ILE 95 2HG1 ILE 95 2.630 -8.794 9.461 808 HG13 ILE 95 3HG1 ILE 95 1.194 -9.808 9.410 809 HG21 ILE 95 1HG2 ILE 95 2.403 -6.246 9.098 810 HG22 ILE 95 2HG2 ILE 95 0.830 -5.568 8.670 811 HG23 ILE 95 3HG2 ILE 95 1.697 -6.581 7.514 812 HD11 ILE 95 1HD1 ILE 95 2.541 -8.504 7.050 813 HD12 ILE 95 2HD1 ILE 95 1.069 -9.478 6.982 814 HD13 ILE 95 3HD1 ILE 95 2.589 -10.211 7.494 815 H TYR 96 H TYR 96 -2.128 -7.538 10.451 816 HA TYR 96 HA TYR 96 -2.863 -4.865 10.038 817 HB2 TYR 96 2HB TYR 96 -4.343 -6.787 9.554 818 HB3 TYR 96 3HB TYR 96 -4.475 -7.156 11.265 819 HD1 TYR 96 HD1 TYR 96 -5.296 -4.496 8.742 820 HD2 TYR 96 HD2 TYR 96 -6.287 -6.252 12.504 821 HE1 TYR 96 HE1 TYR 96 -7.339 -3.135 8.841 822 HE2 TYR 96 HE2 TYR 96 -8.320 -4.879 12.612 823 HH TYR 96 HH TYR 96 -9.591 -3.251 9.969 824 H GLU 97 H GLU 97 -2.543 -6.704 13.053 825 HA GLU 97 HA GLU 97 -3.626 -4.843 14.866 826 HB2 GLU 97 2HB GLU 97 -3.173 -7.211 15.455 827 HB3 GLU 97 3HB GLU 97 -1.439 -6.919 15.334 828 HG2 GLU 97 2HG GLU 97 -1.679 -5.221 17.194 829 HG3 GLU 97 3HG GLU 97 -3.354 -5.734 17.374 830 H GLN 98 H GLN 98 -0.313 -5.305 13.658 831 HA GLN 98 HA GLN 98 1.027 -3.446 15.309 832 HB2 GLN 98 2HB GLN 98 2.249 -5.163 14.018 833 HB3 GLN 98 3HB GLN 98 1.721 -4.437 12.503 834 HG2 GLN 98 2HG GLN 98 4.039 -3.834 12.938 835 HG3 GLN 98 3HG GLN 98 3.028 -2.391 13.034 836 HE21 GLN 98 1HE2 GLN 98 4.389 -1.220 14.369 837 HE22 GLN 98 2HE2 GLN 98 4.738 -1.665 16.004 838 H LEU 99 H LEU 99 -0.271 -3.175 12.033 839 HA LEU 99 HA LEU 99 0.472 -0.516 11.494 840 HB2 LEU 99 2HB LEU 99 -1.464 -2.502 10.323 841 HB3 LEU 99 3HB LEU 99 -1.563 -0.838 9.789 842 HG LEU 99 HG LEU 99 -0.229 -2.276 8.253 843 HD11 LEU 99 1HD1 LEU 99 1.374 -0.053 9.543 844 HD12 LEU 99 2HD1 LEU 99 0.147 0.123 8.285 845 HD13 LEU 99 3HD1 LEU 99 1.636 -0.746 7.939 846 HD21 LEU 99 1HD2 LEU 99 2.053 -2.997 8.847 847 HD22 LEU 99 2HD2 LEU 99 0.837 -3.817 9.819 848 HD23 LEU 99 3HD2 LEU 99 1.783 -2.505 10.522 849 H LYS 100 H LYS 100 -2.504 -1.888 12.822 850 HA LYS 100 HA LYS 100 -4.053 0.497 12.885 851 HB2 LYS 100 2HB LYS 100 -4.832 -1.975 12.968 852 HB3 LYS 100 3HB LYS 100 -4.440 -1.950 14.678 853 HG2 LYS 100 2HG LYS 100 -6.366 0.059 13.491 854 HG3 LYS 100 3HG LYS 100 -6.907 -1.563 13.921 855 HD2 LYS 100 2HD LYS 100 -6.283 -1.187 16.260 856 HD3 LYS 100 3HD LYS 100 -5.612 0.397 15.856 857 HE2 LYS 100 2HE LYS 100 -7.875 1.149 15.155 858 HE3 LYS 100 3HE LYS 100 -8.532 -0.420 15.636 859 HZ1 LYS 100 1HZ LYS 100 -7.154 1.482 17.461 860 HZ2 LYS 100 2HZ LYS 100 -7.875 0.015 17.903 861 HZ3 LYS 100 3HZ LYS 100 -8.827 1.287 17.336 862 H LYS 101 H LYS 101 -1.874 -1.084 15.185 863 HA LYS 101 HA LYS 101 -2.209 0.507 17.476 864 HB2 LYS 101 2HB LYS 101 -0.924 -1.594 17.499 865 HB3 LYS 101 3HB LYS 101 0.286 -0.904 16.419 866 HG2 LYS 101 2HG LYS 101 0.790 0.797 18.253 867 HG3 LYS 101 3HG LYS 101 -0.242 -0.156 19.321 868 HD2 LYS 101 2HD LYS 101 2.246 -1.181 17.902 869 HD3 LYS 101 3HD LYS 101 2.186 -0.663 19.584 870 HE2 LYS 101 2HE LYS 101 0.624 -2.993 18.424 871 HE3 LYS 101 3HE LYS 101 2.128 -3.127 19.334 872 HZ1 LYS 101 1HZ LYS 101 -0.468 -2.110 20.346 873 HZ2 LYS 101 2HZ LYS 101 0.976 -2.075 21.223 874 HZ3 LYS 101 3HZ LYS 101 0.300 -3.554 20.775 875 H ASP 102 H ASP 102 -0.145 0.978 14.624 876 HA ASP 102 HA ASP 102 1.122 3.387 15.630 877 HB2 ASP 102 2HB ASP 102 1.268 1.901 12.983 878 HB3 ASP 102 3HB ASP 102 2.071 3.453 13.214 879 H GLY 103 H GLY 103 -1.899 2.822 14.313 880 HA2 GLY 103 2HA GLY 103 -3.572 4.442 14.118 881 HA3 GLY 103 3HA GLY 103 -2.347 5.698 14.034 882 H VAL 104 H VAL 104 -1.749 3.094 11.946 883 HA VAL 104 HA VAL 104 -2.128 4.710 9.592 884 HB VAL 104 HB VAL 104 -1.418 1.735 9.750 885 HG11 VAL 104 1HG1 VAL 104 -2.076 2.482 7.493 886 HG12 VAL 104 2HG1 VAL 104 -0.359 2.083 7.554 887 HG13 VAL 104 3HG1 VAL 104 -0.872 3.773 7.556 888 HG21 VAL 104 1HG2 VAL 104 0.114 3.061 11.160 889 HG22 VAL 104 2HG2 VAL 104 0.482 4.112 9.790 890 HG23 VAL 104 3HG2 VAL 104 0.946 2.410 9.747 891 H ASP 105 H ASP 105 -3.806 4.574 8.105 892 HA ASP 105 HA ASP 105 -6.243 3.253 8.934 893 HB2 ASP 105 2HB ASP 105 -6.166 5.564 7.832 894 HB3 ASP 105 3HB ASP 105 -5.716 4.752 6.344 895 H VAL 106 H VAL 106 -6.366 1.110 8.590 896 HA VAL 106 HA VAL 106 -5.250 -0.091 6.123 897 HB VAL 106 HB VAL 106 -4.422 -2.022 7.561 898 HG11 VAL 106 1HG1 VAL 106 -2.941 -0.242 6.652 899 HG12 VAL 106 2HG1 VAL 106 -2.350 -0.928 8.157 900 HG13 VAL 106 3HG1 VAL 106 -3.122 0.660 8.160 901 HG21 VAL 106 1HG2 VAL 106 -5.760 -1.588 9.602 902 HG22 VAL 106 2HG2 VAL 106 -4.880 -0.084 9.876 903 HG23 VAL 106 3HG2 VAL 106 -4.035 -1.633 9.975 904 H ARG 107 H ARG 107 -6.078 -2.090 5.483 905 HA ARG 107 HA ARG 107 -8.581 -3.042 6.677 906 HB2 ARG 107 2HB ARG 107 -9.676 -3.104 4.384 907 HB3 ARG 107 3HB ARG 107 -9.502 -1.507 5.089 908 HG2 ARG 107 2HG ARG 107 -7.432 -2.486 3.125 909 HG3 ARG 107 3HG ARG 107 -8.986 -1.897 2.543 910 HD2 ARG 107 2HD ARG 107 -7.087 -0.309 4.295 911 HD3 ARG 107 3HD ARG 107 -7.209 -0.161 2.539 912 HE ARG 107 HE ARG 107 -9.583 0.518 2.910 913 HH11 ARG 107 1HH1 ARG 107 -7.221 1.037 5.453 914 HH12 ARG 107 2HH1 ARG 107 -8.105 2.347 6.161 915 HH21 ARG 107 1HH2 ARG 107 -10.723 2.229 3.846 916 HH22 ARG 107 2HH2 ARG 107 -10.092 3.036 5.259 917 H VAL 108 H VAL 108 -8.833 -5.174 6.527 918 HA VAL 108 HA VAL 108 -7.137 -6.809 4.747 919 HB VAL 108 HB VAL 108 -7.186 -8.600 6.588 920 HG11 VAL 108 1HG1 VAL 108 -5.618 -6.065 7.163 921 HG12 VAL 108 2HG1 VAL 108 -5.134 -7.396 6.110 922 HG13 VAL 108 3HG1 VAL 108 -5.280 -7.660 7.846 923 HG21 VAL 108 1HG2 VAL 108 -8.008 -6.249 8.341 924 HG22 VAL 108 2HG2 VAL 108 -7.521 -7.844 8.921 925 HG23 VAL 108 3HG2 VAL 108 -8.993 -7.671 7.967 926 H THR 109 H THR 109 -8.213 -8.361 3.635 927 HA THR 109 HA THR 109 -10.630 -9.617 4.435 928 HB THR 109 HB THR 109 -11.751 -7.526 3.832 929 HG1 THR 109 HG1 THR 109 -12.917 -9.323 3.242 930 HG21 THR 109 1HG2 THR 109 -10.507 -7.736 1.065 931 HG22 THR 109 2HG2 THR 109 -10.069 -6.542 2.291 932 HG23 THR 109 3HG2 THR 109 -11.687 -6.532 1.586 933 H ASP 110 H ASP 110 -10.494 -11.612 3.512 934 HA ASP 110 HA ASP 110 -8.929 -11.992 1.069 935 HB2 ASP 110 2HB ASP 110 -9.366 -14.408 1.367 936 HB3 ASP 110 3HB ASP 110 -8.690 -13.698 2.825 937 H ASN 111 H ASN 111 -10.147 -10.760 -0.334 938 HA ASN 111 HA ASN 111 -12.179 -12.208 -1.767 939 HB2 ASN 111 2HB ASN 111 -12.927 -9.551 -0.474 940 HB3 ASN 111 3HB ASN 111 -13.732 -10.126 -1.925 941 HD21 ASN 111 1HD2 ASN 111 -13.666 -10.249 1.463 942 HD22 ASN 111 2HD2 ASN 111 -14.880 -11.461 1.680 943 H GLU 112 H GLU 112 -11.928 -11.809 -3.855 944 HA GLU 112 HA GLU 112 -9.662 -10.402 -4.796 945 HB2 GLU 112 2HB GLU 112 -10.527 -12.479 -5.816 946 HB3 GLU 112 3HB GLU 112 -12.014 -11.655 -6.272 947 HG2 GLU 112 2HG GLU 112 -10.579 -10.129 -7.731 948 HG3 GLU 112 3HG GLU 112 -9.231 -11.219 -7.400 949 H ASP 113 H ASP 113 -13.146 -9.921 -5.366 950 HA ASP 113 HA ASP 113 -12.918 -7.520 -6.873 951 HB2 ASP 113 2HB ASP 113 -14.843 -9.100 -7.061 952 HB3 ASP 113 3HB ASP 113 -15.350 -8.681 -5.429 953 H GLU 114 H GLU 114 -13.786 -8.191 -3.468 954 HA GLU 114 HA GLU 114 -14.325 -5.538 -2.672 955 HB2 GLU 114 2HB GLU 114 -15.038 -7.490 -1.354 956 HB3 GLU 114 3HB GLU 114 -13.362 -7.886 -1.008 957 HG2 GLU 114 2HG GLU 114 -14.278 -6.895 0.956 958 HG3 GLU 114 3HG GLU 114 -13.167 -5.725 0.258 959 H ALA 115 H ALA 115 -11.270 -7.345 -2.823 960 HA ALA 115 HA ALA 115 -9.524 -5.550 -1.562 961 HB1 ALA 115 1HB ALA 115 -8.963 -7.256 -4.016 962 HB2 ALA 115 2HB ALA 115 -8.864 -7.802 -2.344 963 HB3 ALA 115 3HB ALA 115 -7.750 -6.566 -2.923 964 H LYS 116 H LYS 116 -10.662 -5.693 -4.897 965 HA LYS 116 HA LYS 116 -9.192 -3.498 -5.938 966 HB2 LYS 116 2HB LYS 116 -11.761 -4.781 -6.967 967 HB3 LYS 116 3HB LYS 116 -10.696 -3.731 -7.900 968 HG2 LYS 116 2HG LYS 116 -8.890 -5.392 -7.785 969 HG3 LYS 116 3HG LYS 116 -9.876 -6.423 -6.746 970 HD2 LYS 116 2HD LYS 116 -9.941 -7.320 -9.003 971 HD3 LYS 116 3HD LYS 116 -11.532 -6.664 -8.617 972 HE2 LYS 116 2HE LYS 116 -10.920 -4.587 -9.870 973 HE3 LYS 116 3HE LYS 116 -9.394 -5.347 -10.321 974 HZ1 LYS 116 1HZ LYS 116 -10.616 -7.052 -11.497 975 HZ2 LYS 116 2HZ LYS 116 -11.075 -5.527 -12.061 976 HZ3 LYS 116 3HZ LYS 116 -12.091 -6.383 -11.019 977 H LYS 117 H LYS 117 -12.283 -3.770 -4.281 978 HA LYS 117 HA LYS 117 -13.256 -1.139 -4.888 979 HB2 LYS 117 2HB LYS 117 -14.024 -2.990 -2.587 980 HB3 LYS 117 3HB LYS 117 -14.927 -1.567 -3.101 981 HG2 LYS 117 2HG LYS 117 -14.496 -4.093 -4.724 982 HG3 LYS 117 3HG LYS 117 -15.983 -3.641 -3.896 983 HD2 LYS 117 2HD LYS 117 -14.721 -2.083 -6.190 984 HD3 LYS 117 3HD LYS 117 -16.052 -3.228 -6.357 985 HE2 LYS 117 2HE LYS 117 -16.123 -0.660 -4.739 986 HE3 LYS 117 3HE LYS 117 -16.863 -0.908 -6.318 987 HZ1 LYS 117 1HZ LYS 117 -18.296 -2.589 -5.345 988 HZ2 LYS 117 2HZ LYS 117 -18.475 -1.118 -4.545 989 HZ3 LYS 117 3HZ LYS 117 -17.588 -2.361 -3.831 990 H ARG 118 H ARG 118 -11.575 -2.600 -2.094 991 HA ARG 118 HA ARG 118 -11.424 -0.209 -0.537 992 HB2 ARG 118 2HB ARG 118 -9.721 -2.726 -0.336 993 HB3 ARG 118 3HB ARG 118 -9.847 -1.473 0.893 994 HG2 ARG 118 2HG ARG 118 -12.094 -3.278 -0.032 995 HG3 ARG 118 3HG ARG 118 -11.171 -3.472 1.455 996 HD2 ARG 118 2HD ARG 118 -12.109 -1.469 2.393 997 HD3 ARG 118 3HD ARG 118 -12.840 -1.003 0.850 998 HE ARG 118 HE ARG 118 -14.046 -3.284 1.181 999 HH11 ARG 118 1HH1 ARG 118 -13.491 -0.872 3.683 1000 HH12 ARG 118 2HH1 ARG 118 -14.904 -1.327 4.581 1001 HH21 ARG 118 1HH2 ARG 118 -15.890 -3.843 2.338 1002 HH22 ARG 118 2HH2 ARG 118 -16.263 -3.009 3.818 1003 H LEU 119 H LEU 119 -9.513 -1.549 -3.102 1004 HA LEU 119 HA LEU 119 -7.087 -0.136 -2.749 1005 HB2 LEU 119 2HB LEU 119 -7.718 -2.157 -4.343 1006 HB3 LEU 119 3HB LEU 119 -8.188 -0.911 -5.475 1007 HG LEU 119 HG LEU 119 -5.940 -1.789 -5.970 1008 HD11 LEU 119 1HD1 LEU 119 -5.762 1.074 -5.015 1009 HD12 LEU 119 2HD1 LEU 119 -6.366 0.534 -6.583 1010 HD13 LEU 119 3HD1 LEU 119 -4.676 0.280 -6.160 1011 HD21 LEU 119 1HD2 LEU 119 -4.036 -1.468 -4.470 1012 HD22 LEU 119 2HD2 LEU 119 -5.276 -2.455 -3.702 1013 HD23 LEU 119 3HD2 LEU 119 -5.094 -0.760 -3.243 1014 H LYS 120 H LYS 120 -9.878 0.493 -4.926 1015 HA LYS 120 HA LYS 120 -9.056 3.074 -5.752 1016 HB2 LYS 120 2HB LYS 120 -10.665 1.720 -7.042 1017 HB3 LYS 120 3HB LYS 120 -11.852 1.854 -5.748 1018 HG2 LYS 120 2HG LYS 120 -12.072 4.257 -6.124 1019 HG3 LYS 120 3HG LYS 120 -10.764 4.234 -7.308 1020 HD2 LYS 120 2HD LYS 120 -13.434 2.811 -7.606 1021 HD3 LYS 120 3HD LYS 120 -13.003 4.339 -8.374 1022 HE2 LYS 120 2HE LYS 120 -11.315 3.265 -9.726 1023 HE3 LYS 120 3HE LYS 120 -11.490 1.747 -8.839 1024 HZ1 LYS 120 1HZ LYS 120 -12.638 1.632 -10.933 1025 HZ2 LYS 120 2HZ LYS 120 -13.544 3.011 -10.574 1026 HZ3 LYS 120 3HZ LYS 120 -13.772 1.596 -9.680 1027 H GLU 121 H GLU 121 -11.000 1.965 -3.020 1028 HA GLU 121 HA GLU 121 -12.169 4.275 -2.026 1029 HB2 GLU 121 2HB GLU 121 -12.549 2.048 -1.073 1030 HB3 GLU 121 3HB GLU 121 -10.876 1.950 -0.545 1031 HG2 GLU 121 2HG GLU 121 -11.343 3.903 0.991 1032 HG3 GLU 121 3HG GLU 121 -13.042 3.757 0.552 1033 H LEU 122 H LEU 122 -8.842 3.092 -1.610 1034 HA LEU 122 HA LEU 122 -7.912 5.153 0.122 1035 HB2 LEU 122 2HB LEU 122 -6.276 3.436 -1.779 1036 HB3 LEU 122 3HB LEU 122 -5.646 4.372 -0.429 1037 HG LEU 122 HG LEU 122 -7.370 1.878 -0.298 1038 HD11 LEU 122 1HD1 LEU 122 -4.538 2.462 0.572 1039 HD12 LEU 122 2HD1 LEU 122 -5.067 1.402 -0.735 1040 HD13 LEU 122 3HD1 LEU 122 -5.416 0.980 0.938 1041 HD21 LEU 122 1HD2 LEU 122 -7.251 2.045 2.168 1042 HD22 LEU 122 2HD2 LEU 122 -8.185 3.356 1.456 1043 HD23 LEU 122 3HD2 LEU 122 -6.540 3.652 2.023 1044 H LEU 123 H LEU 123 -7.775 4.681 -3.404 1045 HA LEU 123 HA LEU 123 -6.290 6.987 -4.071 1046 HB2 LEU 123 2HB LEU 123 -8.166 5.195 -5.625 1047 HB3 LEU 123 3HB LEU 123 -7.623 6.690 -6.359 1048 HG LEU 123 HG LEU 123 -6.241 4.849 -7.148 1049 HD11 LEU 123 1HD1 LEU 123 -5.127 7.017 -6.913 1050 HD12 LEU 123 2HD1 LEU 123 -4.001 5.689 -6.652 1051 HD13 LEU 123 3HD1 LEU 123 -4.618 6.602 -5.272 1052 HD21 LEU 123 1HD2 LEU 123 -6.497 3.282 -5.276 1053 HD22 LEU 123 2HD2 LEU 123 -5.458 4.292 -4.268 1054 HD23 LEU 123 3HD2 LEU 123 -4.800 3.499 -5.704 1055 H GLU 124 H GLU 124 -9.692 6.562 -3.332 1056 HA GLU 124 HA GLU 124 -10.564 9.174 -4.166 1057 HB2 GLU 124 2HB GLU 124 -11.862 7.150 -2.278 1058 HB3 GLU 124 3HB GLU 124 -12.647 8.608 -2.888 1059 HG2 GLU 124 2HG GLU 124 -12.412 7.759 -5.201 1060 HG3 GLU 124 3HG GLU 124 -11.660 6.295 -4.580 1061 H LYS 125 H LYS 125 -9.329 7.750 -1.165 1062 HA LYS 125 HA LYS 125 -9.706 10.015 0.540 1063 HB2 LYS 125 2HB LYS 125 -7.657 7.760 0.735 1064 HB3 LYS 125 3HB LYS 125 -8.026 8.900 2.026 1065 HG2 LYS 125 2HG LYS 125 -10.295 8.011 2.215 1066 HG3 LYS 125 3HG LYS 125 -10.015 6.938 0.842 1067 HD2 LYS 125 2HD LYS 125 -8.210 5.794 2.140 1068 HD3 LYS 125 3HD LYS 125 -8.576 6.827 3.525 1069 HE2 LYS 125 2HE LYS 125 -10.490 4.846 2.242 1070 HE3 LYS 125 3HE LYS 125 -9.600 4.598 3.744 1071 HZ1 LYS 125 1HZ LYS 125 -11.670 6.665 3.258 1072 HZ2 LYS 125 2HZ LYS 125 -10.784 6.502 4.686 1073 HZ3 LYS 125 3HZ LYS 125 -11.841 5.276 4.206 1074 H VAL 126 H VAL 126 -7.266 9.124 -1.813 1075 HA VAL 126 HA VAL 126 -5.271 11.043 -1.015 1076 HB VAL 126 HB VAL 126 -5.539 9.588 -3.697 1077 HG11 VAL 126 1HG1 VAL 126 -3.139 10.107 -3.972 1078 HG12 VAL 126 2HG1 VAL 126 -3.144 11.003 -2.456 1079 HG13 VAL 126 3HG1 VAL 126 -4.094 11.583 -3.826 1080 HG21 VAL 126 1HG2 VAL 126 -5.347 7.972 -1.858 1081 HG22 VAL 126 2HG2 VAL 126 -3.920 8.798 -1.248 1082 HG23 VAL 126 3HG2 VAL 126 -3.866 7.985 -2.814 1083 H LEU 127 H LEU 127 -7.582 10.805 -3.733 1084 HA LEU 127 HA LEU 127 -7.024 13.315 -4.912 1085 HB2 LEU 127 2HB LEU 127 -9.528 11.599 -5.103 1086 HB3 LEU 127 3HB LEU 127 -9.205 12.994 -6.125 1087 HG LEU 127 HG LEU 127 -7.574 10.422 -6.066 1088 HD11 LEU 127 1HD1 LEU 127 -9.746 10.100 -7.110 1089 HD12 LEU 127 2HD1 LEU 127 -8.464 10.028 -8.315 1090 HD13 LEU 127 3HD1 LEU 127 -9.469 11.475 -8.183 1091 HD21 LEU 127 1HD2 LEU 127 -6.365 11.336 -8.024 1092 HD22 LEU 127 2HD2 LEU 127 -6.099 12.295 -6.572 1093 HD23 LEU 127 3HD2 LEU 127 -7.203 12.877 -7.821 1094 H GLU 128 H GLU 128 -9.222 12.342 -2.340 1095 HA GLU 128 HA GLU 128 -10.498 14.877 -1.980 1096 HB2 GLU 128 2HB GLU 128 -10.677 12.289 -0.743 1097 HB3 GLU 128 3HB GLU 128 -10.168 13.362 0.542 1098 HG2 GLU 128 2HG GLU 128 -12.591 13.872 -1.188 1099 HG3 GLU 128 3HG GLU 128 -12.655 12.994 0.329 1100 H HIS 129 H HIS 129 -7.812 13.247 -0.301 1101 HA HIS 129 HA HIS 129 -6.009 13.877 0.882 1102 HB2 HIS 129 2HB HIS 129 -5.341 15.372 -0.927 1103 HB3 HIS 129 3HB HIS 129 -6.427 16.626 -0.353 1104 HD1 HIS 129 HD1 HIS 129 -5.546 18.211 1.421 1105 HD2 HIS 129 HD2 HIS 129 -2.980 15.019 0.718 1106 HE1 HIS 129 HE1 HIS 129 -3.452 18.734 2.707 1107 HE2 HIS 129 HE2 HIS 129 -1.990 16.713 2.394 1108 H HIS 130 H HIS 130 -8.415 16.492 1.097 1109 HA HIS 130 HA HIS 130 -8.437 16.937 3.845 1110 HB2 HIS 130 2HB HIS 130 -9.611 18.387 2.248 1111 HB3 HIS 130 3HB HIS 130 -10.662 17.064 1.759 1112 HD1 HIS 130 HD1 HIS 130 -12.799 16.804 3.020 1113 HD2 HIS 130 HD2 HIS 130 -10.117 19.328 4.945 1114 HE1 HIS 130 HE1 HIS 130 -14.098 17.886 4.881 1115 HE2 HIS 130 HE2 HIS 130 -12.431 19.348 6.076 1116 H HIS 131 H HIS 131 -9.373 15.866 5.521 1117 HA HIS 131 HA HIS 131 -10.333 13.133 5.116 1118 HB2 HIS 131 2HB HIS 131 -10.175 13.061 7.677 1119 HB3 HIS 131 3HB HIS 131 -8.662 13.278 6.807 1120 HD1 HIS 131 HD1 HIS 131 -7.207 15.034 7.737 1121 HD2 HIS 131 HD2 HIS 131 -11.192 15.763 8.647 1122 HE1 HIS 131 HE1 HIS 131 -7.199 17.049 9.233 1123 HE2 HIS 131 HE2 HIS 131 -9.616 17.410 9.839 1124 H HIS 132 H HIS 132 -12.311 12.388 5.730 1125 HA HIS 132 HA HIS 132 -14.535 14.257 5.913 1126 HB2 HIS 132 2HB HIS 132 -14.479 11.198 5.893 1127 HB3 HIS 132 3HB HIS 132 -15.949 12.171 5.872 1128 HD1 HIS 132 HD1 HIS 132 -16.892 12.409 3.597 1129 HD2 HIS 132 HD2 HIS 132 -12.756 12.020 3.484 1130 HE1 HIS 132 HE1 HIS 132 -16.278 12.415 1.163 1131 HE2 HIS 132 HE2 HIS 132 -13.797 12.012 1.126 1132 H HIS 133 H HIS 133 -12.620 12.350 8.045 1133 HA HIS 133 HA HIS 133 -14.310 13.079 10.378 1134 HB2 HIS 133 2HB HIS 133 -14.160 10.637 10.088 1135 HB3 HIS 133 3HB HIS 133 -12.406 10.714 10.010 1136 HD1 HIS 133 HD1 HIS 133 -11.191 10.442 12.188 1137 HD2 HIS 133 HD2 HIS 133 -15.205 11.362 12.748 1138 HE1 HIS 133 HE1 HIS 133 -11.587 10.238 14.658 1139 HE2 HIS 133 HE2 HIS 133 -14.064 10.602 14.929 1140 H HIS 134 H HIS 134 -13.388 14.753 11.460 1141 HA HIS 134 HA HIS 134 -10.632 15.473 11.209 1142 HB2 HIS 134 2HB HIS 134 -11.068 17.291 12.745 1143 HB3 HIS 134 3HB HIS 134 -12.420 17.174 11.630 1144 HD1 HIS 134 HD1 HIS 134 -14.714 16.396 12.641 1145 HD2 HIS 134 HD2 HIS 134 -11.706 16.965 15.450 1146 HE1 HIS 134 HE1 HIS 134 -15.865 16.406 14.870 1147 HE2 HIS 134 HE2 HIS 134 -14.047 16.958 16.518 Start of MODEL 18 1 H1 MET 1 1H MET 1 0.115 17.065 1.512 2 H2 MET 1 2H MET 1 1.305 15.871 1.487 3 H3 MET 1 3H MET 1 -0.324 15.434 1.520 4 HA MET 1 HA MET 1 -0.678 16.385 -0.638 5 HB2 MET 1 2HB MET 1 1.119 18.134 -0.467 6 HB3 MET 1 3HB MET 1 2.334 16.875 -0.624 7 HG2 MET 1 2HG MET 1 1.448 16.343 -2.882 8 HG3 MET 1 3HG MET 1 0.309 17.680 -2.720 9 HE1 MET 1 1HE MET 1 1.244 18.607 -5.067 10 HE2 MET 1 2HE MET 1 2.419 17.290 -5.147 11 HE3 MET 1 3HE MET 1 2.947 18.958 -5.356 12 H GLY 2 H GLY 2 2.505 14.803 -0.043 13 HA2 GLY 2 2HA GLY 2 2.135 12.706 -1.946 14 HA3 GLY 2 3HA GLY 2 3.363 12.765 -0.684 15 H THR 3 H THR 3 1.342 10.649 -1.672 16 HA THR 3 HA THR 3 0.273 9.830 0.962 17 HB THR 3 HB THR 3 -1.230 9.900 -1.701 18 HG1 THR 3 HG1 THR 3 -1.175 11.894 -0.574 19 HG21 THR 3 1HG2 THR 3 -2.192 8.798 0.965 20 HG22 THR 3 2HG2 THR 3 -1.848 7.845 -0.483 21 HG23 THR 3 3HG2 THR 3 -3.182 9.003 -0.481 22 H VAL 4 H VAL 4 1.278 7.937 1.408 23 HA VAL 4 HA VAL 4 2.179 6.153 -0.771 24 HB VAL 4 HB VAL 4 2.968 6.092 2.189 25 HG11 VAL 4 1HG1 VAL 4 3.200 3.896 1.104 26 HG12 VAL 4 2HG1 VAL 4 4.789 4.581 1.454 27 HG13 VAL 4 3HG1 VAL 4 4.156 4.619 -0.194 28 HG21 VAL 4 1HG2 VAL 4 3.768 8.161 1.125 29 HG22 VAL 4 2HG2 VAL 4 4.516 7.226 -0.171 30 HG23 VAL 4 3HG2 VAL 4 5.120 7.082 1.480 31 H VAL 5 H VAL 5 0.443 4.894 -1.259 32 HA VAL 5 HA VAL 5 -1.093 3.494 0.788 33 HB VAL 5 HB VAL 5 -1.232 3.279 -2.262 34 HG11 VAL 5 1HG1 VAL 5 -3.419 2.181 -1.929 35 HG12 VAL 5 2HG1 VAL 5 -3.187 2.235 -0.180 36 HG13 VAL 5 3HG1 VAL 5 -2.113 1.256 -1.183 37 HG21 VAL 5 1HG2 VAL 5 -3.020 4.874 -0.392 38 HG22 VAL 5 2HG2 VAL 5 -3.248 4.693 -2.135 39 HG23 VAL 5 3HG2 VAL 5 -1.831 5.544 -1.513 40 H ILE 6 H ILE 6 -0.061 1.789 1.672 41 HA ILE 6 HA ILE 6 1.867 0.157 0.204 42 HB ILE 6 HB ILE 6 0.865 -0.034 3.089 43 HG12 ILE 6 2HG1 ILE 6 2.224 1.981 2.731 44 HG13 ILE 6 3HG1 ILE 6 3.120 0.826 3.713 45 HG21 ILE 6 1HG2 ILE 6 2.718 -1.630 3.495 46 HG22 ILE 6 2HG2 ILE 6 3.104 -1.617 1.772 47 HG23 ILE 6 3HG2 ILE 6 1.555 -2.259 2.324 48 HD11 ILE 6 1HD1 ILE 6 3.530 1.351 0.769 49 HD12 ILE 6 2HD1 ILE 6 4.426 0.173 1.736 50 HD13 ILE 6 3HD1 ILE 6 4.556 1.894 2.094 51 H VAL 7 H VAL 7 1.268 -1.693 -0.775 52 HA VAL 7 HA VAL 7 -1.198 -3.101 0.061 53 HB VAL 7 HB VAL 7 -0.145 -2.841 -2.803 54 HG11 VAL 7 1HG1 VAL 7 -2.590 -4.311 -1.763 55 HG12 VAL 7 2HG1 VAL 7 -1.119 -5.056 -2.395 56 HG13 VAL 7 3HG1 VAL 7 -2.157 -4.110 -3.463 57 HG21 VAL 7 1HG2 VAL 7 -2.230 -1.603 -3.284 58 HG22 VAL 7 2HG2 VAL 7 -1.267 -0.772 -2.058 59 HG23 VAL 7 3HG2 VAL 7 -2.689 -1.702 -1.581 60 H VAL 8 H VAL 8 -0.868 -5.166 0.546 61 HA VAL 8 HA VAL 8 1.605 -6.579 -0.258 62 HB VAL 8 HB VAL 8 0.125 -6.770 2.421 63 HG11 VAL 8 1HG1 VAL 8 1.929 -8.306 3.131 64 HG12 VAL 8 2HG1 VAL 8 2.608 -8.254 1.503 65 HG13 VAL 8 3HG1 VAL 8 1.011 -8.956 1.769 66 HG21 VAL 8 1HG2 VAL 8 2.887 -5.635 1.847 67 HG22 VAL 8 2HG2 VAL 8 2.168 -5.828 3.448 68 HG23 VAL 8 3HG2 VAL 8 1.453 -4.705 2.289 69 H SER 9 H SER 9 1.077 -8.364 -1.447 70 HA SER 9 HA SER 9 -1.224 -9.994 -0.648 71 HB2 SER 9 2HB SER 9 -0.716 -9.220 -3.554 72 HB3 SER 9 3HB SER 9 -1.951 -10.343 -2.984 73 HG SER 9 HG SER 9 -2.397 -8.184 -1.636 74 H ARG 10 H ARG 10 -0.864 -12.190 -0.924 75 HA ARG 10 HA ARG 10 1.818 -13.116 -1.062 76 HB2 ARG 10 2HB ARG 10 0.871 -15.374 -0.901 77 HB3 ARG 10 3HB ARG 10 0.061 -14.287 0.215 78 HG2 ARG 10 2HG ARG 10 -1.853 -14.100 -1.351 79 HG3 ARG 10 3HG ARG 10 -1.050 -15.220 -2.455 80 HD2 ARG 10 2HD ARG 10 -1.948 -15.852 0.380 81 HD3 ARG 10 3HD ARG 10 -2.786 -16.338 -1.092 82 HE ARG 10 HE ARG 10 -0.820 -17.729 -1.629 83 HH11 ARG 10 1HH1 ARG 10 -1.239 -16.767 1.731 84 HH12 ARG 10 2HH1 ARG 10 -0.343 -18.105 2.367 85 HH21 ARG 10 1HH2 ARG 10 0.349 -19.505 -0.771 86 HH22 ARG 10 2HH2 ARG 10 0.556 -19.657 0.945 87 H ASP 11 H ASP 11 -0.464 -12.478 -3.545 88 HA ASP 11 HA ASP 11 0.937 -14.243 -5.465 89 HB2 ASP 11 2HB ASP 11 -1.423 -14.949 -4.707 90 HB3 ASP 11 3HB ASP 11 -2.023 -13.532 -5.551 91 H GLU 12 H GLU 12 1.164 -13.497 -7.550 92 HA GLU 12 HA GLU 12 1.774 -10.705 -7.801 93 HB2 GLU 12 2HB GLU 12 1.866 -12.890 -9.930 94 HB3 GLU 12 3HB GLU 12 2.743 -11.359 -9.956 95 HG2 GLU 12 2HG GLU 12 4.117 -12.067 -8.064 96 HG3 GLU 12 3HG GLU 12 3.176 -13.548 -7.895 97 H ARG 13 H ARG 13 -0.716 -12.872 -9.021 98 HA ARG 13 HA ARG 13 -1.740 -11.221 -11.105 99 HB2 ARG 13 2HB ARG 13 -3.057 -13.549 -9.657 100 HB3 ARG 13 3HB ARG 13 -3.629 -12.834 -11.163 101 HG2 ARG 13 2HG ARG 13 -1.616 -13.575 -12.330 102 HG3 ARG 13 3HG ARG 13 -0.937 -14.194 -10.819 103 HD2 ARG 13 2HD ARG 13 -1.870 -16.025 -12.158 104 HD3 ARG 13 3HD ARG 13 -2.774 -15.827 -10.657 105 HE ARG 13 HE ARG 13 -4.571 -14.831 -11.892 106 HH11 ARG 13 1HH1 ARG 13 -2.105 -16.294 -13.945 107 HH12 ARG 13 2HH1 ARG 13 -3.161 -16.430 -15.314 108 HH21 ARG 13 1HH2 ARG 13 -5.943 -15.035 -13.693 109 HH22 ARG 13 2HH2 ARG 13 -5.335 -15.719 -15.170 110 H ILE 14 H ILE 14 -2.492 -11.542 -7.679 111 HA ILE 14 HA ILE 14 -4.848 -9.967 -7.601 112 HB ILE 14 HB ILE 14 -2.722 -10.160 -5.403 113 HG12 ILE 14 2HG1 ILE 14 -5.162 -11.964 -5.802 114 HG13 ILE 14 3HG1 ILE 14 -3.493 -12.436 -6.105 115 HG21 ILE 14 1HG2 ILE 14 -4.356 -8.342 -5.057 116 HG22 ILE 14 2HG2 ILE 14 -4.590 -9.616 -3.862 117 HG23 ILE 14 3HG2 ILE 14 -5.688 -9.484 -5.239 118 HD11 ILE 14 1HD1 ILE 14 -4.281 -13.301 -3.983 119 HD12 ILE 14 2HD1 ILE 14 -4.643 -11.669 -3.419 120 HD13 ILE 14 3HD1 ILE 14 -2.971 -12.149 -3.735 121 H LEU 15 H LEU 15 -1.396 -9.168 -7.169 122 HA LEU 15 HA LEU 15 -1.600 -6.433 -6.604 123 HB2 LEU 15 2HB LEU 15 0.691 -7.959 -7.903 124 HB3 LEU 15 3HB LEU 15 0.826 -6.319 -7.284 125 HG LEU 15 HG LEU 15 0.242 -8.789 -5.600 126 HD11 LEU 15 1HD1 LEU 15 2.540 -8.790 -6.439 127 HD12 LEU 15 2HD1 LEU 15 2.505 -8.499 -4.702 128 HD13 LEU 15 3HD1 LEU 15 2.793 -7.157 -5.814 129 HD21 LEU 15 1HD2 LEU 15 0.562 -7.311 -3.654 130 HD22 LEU 15 2HD2 LEU 15 -0.815 -6.812 -4.631 131 HD23 LEU 15 3HD2 LEU 15 0.702 -5.916 -4.727 132 H GLU 16 H GLU 16 -1.426 -8.090 -9.739 133 HA GLU 16 HA GLU 16 -0.932 -5.683 -11.261 134 HB2 GLU 16 2HB GLU 16 -1.042 -7.069 -13.241 135 HB3 GLU 16 3HB GLU 16 -0.094 -7.902 -12.015 136 HG2 GLU 16 2HG GLU 16 -2.029 -9.331 -11.487 137 HG3 GLU 16 3HG GLU 16 -2.990 -8.486 -12.695 138 H GLU 17 H GLU 17 -3.848 -7.437 -10.264 139 HA GLU 17 HA GLU 17 -5.641 -5.952 -11.984 140 HB2 GLU 17 2HB GLU 17 -6.224 -7.546 -9.457 141 HB3 GLU 17 3HB GLU 17 -7.457 -6.772 -10.451 142 HG2 GLU 17 2HG GLU 17 -6.487 -8.194 -12.397 143 HG3 GLU 17 3HG GLU 17 -5.708 -9.136 -11.124 144 H LEU 18 H LEU 18 -4.559 -5.724 -8.632 145 HA LEU 18 HA LEU 18 -5.992 -3.470 -7.774 146 HB2 LEU 18 2HB LEU 18 -3.221 -4.444 -6.966 147 HB3 LEU 18 3HB LEU 18 -4.156 -3.256 -6.069 148 HG LEU 18 HG LEU 18 -4.982 -6.152 -6.507 149 HD11 LEU 18 1HD1 LEU 18 -3.056 -6.004 -5.012 150 HD12 LEU 18 2HD1 LEU 18 -4.506 -6.490 -4.137 151 HD13 LEU 18 3HD1 LEU 18 -3.910 -4.831 -4.004 152 HD21 LEU 18 1HD2 LEU 18 -6.255 -4.028 -4.772 153 HD22 LEU 18 2HD2 LEU 18 -6.759 -5.715 -4.915 154 HD23 LEU 18 3HD2 LEU 18 -6.897 -4.638 -6.299 155 H LEU 19 H LEU 19 -3.022 -3.819 -9.598 156 HA LEU 19 HA LEU 19 -2.054 -1.207 -9.736 157 HB2 LEU 19 2HB LEU 19 -0.791 -3.140 -10.554 158 HB3 LEU 19 3HB LEU 19 -2.005 -3.457 -11.779 159 HG LEU 19 HG LEU 19 -1.392 -1.311 -12.917 160 HD11 LEU 19 1HD1 LEU 19 -0.553 -0.066 -11.008 161 HD12 LEU 19 2HD1 LEU 19 0.665 -0.138 -12.280 162 HD13 LEU 19 3HD1 LEU 19 0.817 -1.170 -10.853 163 HD21 LEU 19 1HD2 LEU 19 -0.411 -3.410 -13.691 164 HD22 LEU 19 2HD2 LEU 19 0.910 -3.251 -12.530 165 HD23 LEU 19 3HD2 LEU 19 0.750 -2.090 -13.850 166 H GLU 20 H GLU 20 -4.316 -2.924 -11.906 167 HA GLU 20 HA GLU 20 -4.850 -0.902 -13.764 168 HB2 GLU 20 2HB GLU 20 -6.715 -3.138 -12.841 169 HB3 GLU 20 3HB GLU 20 -6.918 -2.190 -14.314 170 HG2 GLU 20 2HG GLU 20 -4.853 -3.114 -15.240 171 HG3 GLU 20 3HG GLU 20 -4.549 -3.995 -13.741 172 H VAL 21 H VAL 21 -6.343 -1.601 -10.639 173 HA VAL 21 HA VAL 21 -8.573 0.149 -10.861 174 HB VAL 21 HB VAL 21 -7.256 -0.934 -8.326 175 HG11 VAL 21 1HG1 VAL 21 -8.768 0.950 -7.842 176 HG12 VAL 21 2HG1 VAL 21 -9.442 -0.565 -7.240 177 HG13 VAL 21 3HG1 VAL 21 -10.069 0.150 -8.729 178 HG21 VAL 21 1HG2 VAL 21 -9.560 -2.100 -9.940 179 HG22 VAL 21 2HG2 VAL 21 -8.945 -2.736 -8.410 180 HG23 VAL 21 3HG2 VAL 21 -7.925 -2.756 -9.849 181 H VAL 22 H VAL 22 -5.260 0.593 -9.588 182 HA VAL 22 HA VAL 22 -5.548 3.230 -8.570 183 HB VAL 22 HB VAL 22 -3.018 2.072 -9.855 184 HG11 VAL 22 1HG1 VAL 22 -3.360 4.375 -7.888 185 HG12 VAL 22 2HG1 VAL 22 -2.897 4.513 -9.585 186 HG13 VAL 22 3HG1 VAL 22 -1.811 3.728 -8.437 187 HG21 VAL 22 1HG2 VAL 22 -2.310 1.426 -7.586 188 HG22 VAL 22 2HG2 VAL 22 -3.806 0.607 -8.044 189 HG23 VAL 22 3HG2 VAL 22 -3.859 1.980 -6.939 190 H LEU 23 H LEU 23 -4.565 1.978 -11.741 191 HA LEU 23 HA LEU 23 -3.959 4.392 -13.034 192 HB2 LEU 23 2HB LEU 23 -4.940 1.788 -14.273 193 HB3 LEU 23 3HB LEU 23 -4.130 3.085 -15.143 194 HG LEU 23 HG LEU 23 -2.893 1.337 -12.981 195 HD11 LEU 23 1HD1 LEU 23 -2.354 1.397 -15.960 196 HD12 LEU 23 2HD1 LEU 23 -3.196 0.126 -15.070 197 HD13 LEU 23 3HD1 LEU 23 -1.487 0.425 -14.764 198 HD21 LEU 23 1HD2 LEU 23 -1.604 3.562 -14.583 199 HD22 LEU 23 2HD2 LEU 23 -0.764 2.445 -13.503 200 HD23 LEU 23 3HD2 LEU 23 -1.948 3.572 -12.850 201 H LYS 24 H LYS 24 -7.016 2.616 -12.756 202 HA LYS 24 HA LYS 24 -8.550 4.093 -14.616 203 HB2 LYS 24 2HB LYS 24 -9.368 2.428 -12.194 204 HB3 LYS 24 3HB LYS 24 -10.543 3.156 -13.283 205 HG2 LYS 24 2HG LYS 24 -8.454 1.102 -14.078 206 HG3 LYS 24 3HG LYS 24 -10.161 0.765 -13.772 207 HD2 LYS 24 2HD LYS 24 -10.777 2.256 -15.669 208 HD3 LYS 24 3HD LYS 24 -9.066 2.562 -15.976 209 HE2 LYS 24 2HE LYS 24 -8.724 0.176 -16.495 210 HE3 LYS 24 3HE LYS 24 -10.427 -0.151 -16.157 211 HZ1 LYS 24 1HZ LYS 24 -11.021 1.339 -17.988 212 HZ2 LYS 24 2HZ LYS 24 -10.046 0.068 -18.525 213 HZ3 LYS 24 3HZ LYS 24 -9.386 1.608 -18.317 214 H SER 25 H SER 25 -8.152 4.393 -11.091 215 HA SER 25 HA SER 25 -10.075 6.503 -10.801 216 HB2 SER 25 2HB SER 25 -7.980 5.539 -8.816 217 HB3 SER 25 3HB SER 25 -9.435 6.474 -8.450 218 HG SER 25 HG SER 25 -9.144 3.796 -8.787 219 H ASP 26 H ASP 26 -6.513 6.413 -10.375 220 HA ASP 26 HA ASP 26 -6.263 9.161 -11.338 221 HB2 ASP 26 2HB ASP 26 -6.573 9.186 -8.774 222 HB3 ASP 26 3HB ASP 26 -5.018 8.369 -8.665 223 HA PRO 27 HA PRO 27 -2.823 6.623 -13.042 224 HB2 PRO 27 2HB PRO 27 -2.441 8.007 -15.342 225 HB3 PRO 27 3HB PRO 27 -3.881 6.991 -15.107 226 HG2 PRO 27 2HG PRO 27 -3.622 9.972 -14.813 227 HG3 PRO 27 3HG PRO 27 -4.893 9.032 -15.627 228 HD2 PRO 27 2HD PRO 27 -5.155 10.021 -13.070 229 HD3 PRO 27 3HD PRO 27 -6.009 8.575 -13.649 230 H ASN 28 H ASN 28 -2.773 9.823 -11.838 231 HA ASN 28 HA ASN 28 -0.075 10.578 -12.563 232 HB2 ASN 28 2HB ASN 28 -1.768 11.753 -10.303 233 HB3 ASN 28 3HB ASN 28 -0.386 12.504 -11.095 234 HD21 ASN 28 1HD2 ASN 28 -3.754 11.724 -11.344 235 HD22 ASN 28 2HD2 ASN 28 -4.096 12.698 -12.729 236 H VAL 29 H VAL 29 -1.641 8.886 -9.964 237 HA VAL 29 HA VAL 29 0.347 8.874 -7.987 238 HB VAL 29 HB VAL 29 -1.625 6.629 -8.637 239 HG11 VAL 29 1HG1 VAL 29 -1.379 6.005 -6.251 240 HG12 VAL 29 2HG1 VAL 29 -0.136 7.241 -6.061 241 HG13 VAL 29 3HG1 VAL 29 0.146 5.864 -7.129 242 HG21 VAL 29 1HG2 VAL 29 -2.811 8.748 -8.286 243 HG22 VAL 29 2HG2 VAL 29 -1.970 8.987 -6.753 244 HG23 VAL 29 3HG2 VAL 29 -3.101 7.643 -6.939 245 H LYS 30 H LYS 30 2.360 8.110 -8.111 246 HA LYS 30 HA LYS 30 3.425 6.467 -10.168 247 HB2 LYS 30 2HB LYS 30 4.801 8.061 -8.914 248 HB3 LYS 30 3HB LYS 30 4.481 7.216 -7.406 249 HG2 LYS 30 2HG LYS 30 6.744 6.758 -8.197 250 HG3 LYS 30 3HG LYS 30 5.779 5.277 -8.205 251 HD2 LYS 30 2HD LYS 30 5.447 5.499 -10.640 252 HD3 LYS 30 3HD LYS 30 6.370 7.008 -10.640 253 HE2 LYS 30 2HE LYS 30 7.723 5.098 -11.415 254 HE3 LYS 30 3HE LYS 30 8.382 5.795 -9.933 255 HZ1 LYS 30 1HZ LYS 30 7.279 4.012 -8.689 256 HZ2 LYS 30 2HZ LYS 30 8.393 3.411 -9.805 257 HZ3 LYS 30 3HZ LYS 30 6.734 3.326 -10.138 258 H THR 31 H THR 31 3.530 4.230 -10.304 259 HA THR 31 HA THR 31 2.637 2.632 -7.966 260 HB THR 31 HB THR 31 1.763 0.957 -9.637 261 HG1 THR 31 HG1 THR 31 2.060 3.074 -11.528 262 HG21 THR 31 1HG2 THR 31 -0.300 2.181 -10.204 263 HG22 THR 31 2HG2 THR 31 0.490 3.711 -9.820 264 HG23 THR 31 3HG2 THR 31 0.200 2.527 -8.543 265 H VAL 32 H VAL 32 3.690 0.761 -7.510 266 HA VAL 32 HA VAL 32 6.153 0.001 -8.976 267 HB VAL 32 HB VAL 32 6.031 0.456 -5.942 268 HG11 VAL 32 1HG1 VAL 32 8.463 0.039 -5.942 269 HG12 VAL 32 2HG1 VAL 32 8.417 -0.282 -7.677 270 HG13 VAL 32 3HG1 VAL 32 7.577 -1.360 -6.561 271 HG21 VAL 32 1HG2 VAL 32 6.002 2.609 -7.133 272 HG22 VAL 32 2HG2 VAL 32 7.469 2.154 -8.003 273 HG23 VAL 32 3HG2 VAL 32 7.514 2.374 -6.253 274 H ARG 33 H ARG 33 6.039 -2.222 -9.261 275 HA ARG 33 HA ARG 33 4.663 -3.832 -7.175 276 HB2 ARG 33 2HB ARG 33 3.533 -3.887 -9.398 277 HB3 ARG 33 3HB ARG 33 5.005 -4.528 -10.122 278 HG2 ARG 33 2HG ARG 33 4.809 -6.536 -8.632 279 HG3 ARG 33 3HG ARG 33 3.281 -5.891 -8.022 280 HD2 ARG 33 2HD ARG 33 2.917 -7.593 -9.771 281 HD3 ARG 33 3HD ARG 33 2.308 -6.010 -10.273 282 HE ARG 33 HE ARG 33 4.980 -6.950 -11.117 283 HH11 ARG 33 1HH1 ARG 33 1.748 -5.896 -12.034 284 HH12 ARG 33 2HH1 ARG 33 2.139 -5.767 -13.716 285 HH21 ARG 33 1HH2 ARG 33 5.496 -6.730 -13.294 286 HH22 ARG 33 2HH2 ARG 33 4.281 -6.241 -14.433 287 H THR 34 H THR 34 6.377 -4.140 -5.908 288 HA THR 34 HA THR 34 8.767 -5.569 -6.931 289 HB THR 34 HB THR 34 9.319 -3.284 -6.123 290 HG1 THR 34 HG1 THR 34 10.992 -4.609 -5.725 291 HG21 THR 34 1HG2 THR 34 7.494 -2.933 -4.509 292 HG22 THR 34 2HG2 THR 34 9.061 -2.673 -3.738 293 HG23 THR 34 3HG2 THR 34 8.174 -4.171 -3.447 294 H ASP 35 H ASP 35 9.810 -6.812 -4.976 295 HA ASP 35 HA ASP 35 7.765 -7.903 -3.118 296 HB2 ASP 35 2HB ASP 35 8.868 -10.092 -3.189 297 HB3 ASP 35 3HB ASP 35 8.395 -9.614 -4.814 298 H ASP 36 H ASP 36 10.628 -6.138 -3.426 299 HA ASP 36 HA ASP 36 11.609 -6.984 -0.758 300 HB2 ASP 36 2HB ASP 36 13.104 -7.470 -2.827 301 HB3 ASP 36 3HB ASP 36 13.391 -5.735 -2.891 302 H LYS 37 H LYS 37 11.731 -5.539 0.735 303 HA LYS 37 HA LYS 37 10.557 -3.058 0.804 304 HB2 LYS 37 2HB LYS 37 11.562 -2.748 3.024 305 HB3 LYS 37 3HB LYS 37 10.967 -4.382 2.822 306 HG2 LYS 37 2HG LYS 37 13.900 -3.660 2.520 307 HG3 LYS 37 3HG LYS 37 13.181 -4.132 4.061 308 HD2 LYS 37 2HD LYS 37 12.550 -6.325 3.099 309 HD3 LYS 37 3HD LYS 37 13.228 -5.843 1.545 310 HE2 LYS 37 2HE LYS 37 15.466 -5.638 2.672 311 HE3 LYS 37 3HE LYS 37 14.737 -6.335 4.123 312 HZ1 LYS 37 1HZ LYS 37 15.833 -8.018 2.787 313 HZ2 LYS 37 2HZ LYS 37 14.870 -7.633 1.451 314 HZ3 LYS 37 3HZ LYS 37 14.170 -8.305 2.837 315 H GLU 38 H GLU 38 13.878 -3.728 -0.174 316 HA GLU 38 HA GLU 38 14.991 -1.181 0.389 317 HB2 GLU 38 2HB GLU 38 16.878 -1.791 -0.985 318 HB3 GLU 38 3HB GLU 38 16.370 -3.220 -0.099 319 HG2 GLU 38 2HG GLU 38 15.316 -4.142 -2.093 320 HG3 GLU 38 3HG GLU 38 15.679 -2.674 -3.001 321 H LYS 39 H LYS 39 13.442 -2.511 -2.514 322 HA LYS 39 HA LYS 39 13.891 -0.311 -4.235 323 HB2 LYS 39 2HB LYS 39 13.400 -2.598 -5.041 324 HB3 LYS 39 3HB LYS 39 11.785 -2.513 -4.353 325 HG2 LYS 39 2HG LYS 39 11.776 -2.185 -6.804 326 HG3 LYS 39 3HG LYS 39 11.150 -0.771 -5.949 327 HD2 LYS 39 2HD LYS 39 13.277 0.406 -6.260 328 HD3 LYS 39 3HD LYS 39 13.999 -1.020 -7.006 329 HE2 LYS 39 2HE LYS 39 12.547 -0.814 -8.937 330 HE3 LYS 39 3HE LYS 39 11.615 0.470 -8.157 331 HZ1 LYS 39 1HZ LYS 39 13.524 1.907 -8.224 332 HZ2 LYS 39 2HZ LYS 39 13.244 1.311 -9.781 333 HZ3 LYS 39 3HZ LYS 39 14.500 0.673 -8.850 334 H VAL 40 H VAL 40 11.240 -1.246 -2.110 335 HA VAL 40 HA VAL 40 9.218 0.512 -2.724 336 HB VAL 40 HB VAL 40 10.088 -0.380 0.069 337 HG11 VAL 40 1HG1 VAL 40 7.387 0.624 -0.879 338 HG12 VAL 40 2HG1 VAL 40 8.495 1.470 0.202 339 HG13 VAL 40 3HG1 VAL 40 7.730 -0.033 0.722 340 HG21 VAL 40 1HG2 VAL 40 8.485 -2.232 -0.188 341 HG22 VAL 40 2HG2 VAL 40 9.735 -2.304 -1.430 342 HG23 VAL 40 3HG2 VAL 40 8.124 -1.707 -1.835 343 H LYS 41 H LYS 41 11.841 1.039 -0.349 344 HA LYS 41 HA LYS 41 11.005 3.610 0.492 345 HB2 LYS 41 2HB LYS 41 13.734 2.289 0.741 346 HB3 LYS 41 3HB LYS 41 13.202 3.710 1.644 347 HG2 LYS 41 2HG LYS 41 11.479 2.422 2.770 348 HG3 LYS 41 3HG LYS 41 11.854 0.995 1.791 349 HD2 LYS 41 2HD LYS 41 14.138 0.946 2.799 350 HD3 LYS 41 3HD LYS 41 13.702 2.327 3.813 351 HE2 LYS 41 2HE LYS 41 11.923 0.969 4.867 352 HE3 LYS 41 3HE LYS 41 12.388 -0.408 3.861 353 HZ1 LYS 41 1HZ LYS 41 13.343 -0.505 6.093 354 HZ2 LYS 41 2HZ LYS 41 14.165 0.948 5.820 355 HZ3 LYS 41 3HZ LYS 41 14.547 -0.426 4.911 356 H GLU 42 H GLU 42 13.372 2.550 -1.916 357 HA GLU 42 HA GLU 42 14.551 5.017 -2.588 358 HB2 GLU 42 2HB GLU 42 14.044 2.557 -4.323 359 HB3 GLU 42 3HB GLU 42 15.080 3.904 -4.801 360 HG2 GLU 42 2HG GLU 42 16.605 3.442 -2.957 361 HG3 GLU 42 3HG GLU 42 15.528 2.185 -2.347 362 H GLU 43 H GLU 43 11.639 3.397 -3.773 363 HA GLU 43 HA GLU 43 10.963 5.338 -5.766 364 HB2 GLU 43 2HB GLU 43 9.289 3.145 -4.479 365 HB3 GLU 43 3HB GLU 43 8.796 4.091 -5.880 366 HG2 GLU 43 2HG GLU 43 11.175 2.220 -5.748 367 HG3 GLU 43 3HG GLU 43 9.629 1.873 -6.515 368 H ILE 44 H ILE 44 10.068 4.881 -2.360 369 HA ILE 44 HA ILE 44 7.930 6.725 -2.175 370 HB ILE 44 HB ILE 44 9.942 5.858 -0.036 371 HG12 ILE 44 2HG1 ILE 44 7.050 4.983 -0.498 372 HG13 ILE 44 3HG1 ILE 44 8.476 4.033 -0.888 373 HG21 ILE 44 1HG2 ILE 44 8.392 6.773 1.670 374 HG22 ILE 44 2HG2 ILE 44 7.373 7.432 0.390 375 HG23 ILE 44 3HG2 ILE 44 9.013 8.044 0.612 376 HD11 ILE 44 1HD1 ILE 44 7.575 4.835 1.880 377 HD12 ILE 44 2HD1 ILE 44 9.041 3.925 1.504 378 HD13 ILE 44 3HD1 ILE 44 7.459 3.236 1.144 379 H GLU 45 H GLU 45 11.449 7.114 -1.920 380 HA GLU 45 HA GLU 45 11.503 9.901 -1.331 381 HB2 GLU 45 2HB GLU 45 13.593 8.147 -2.686 382 HB3 GLU 45 3HB GLU 45 13.884 9.788 -2.103 383 HG2 GLU 45 2HG GLU 45 13.451 9.080 0.194 384 HG3 GLU 45 3HG GLU 45 13.063 7.450 -0.358 385 H LYS 46 H LYS 46 11.624 8.056 -4.366 386 HA LYS 46 HA LYS 46 11.915 10.248 -6.153 387 HB2 LYS 46 2HB LYS 46 10.865 7.424 -6.579 388 HB3 LYS 46 3HB LYS 46 11.138 8.566 -7.896 389 HG2 LYS 46 2HG LYS 46 13.515 8.600 -7.490 390 HG3 LYS 46 3HG LYS 46 13.328 7.715 -5.973 391 HD2 LYS 46 2HD LYS 46 14.183 6.219 -7.713 392 HD3 LYS 46 3HD LYS 46 12.563 5.722 -7.224 393 HE2 LYS 46 2HE LYS 46 11.653 6.864 -9.254 394 HE3 LYS 46 3HE LYS 46 13.305 7.238 -9.748 395 HZ1 LYS 46 1HZ LYS 46 13.767 4.849 -9.811 396 HZ2 LYS 46 2HZ LYS 46 12.511 5.261 -10.863 397 HZ3 LYS 46 3HZ LYS 46 12.165 4.511 -9.386 398 H ALA 47 H ALA 47 9.166 8.925 -4.494 399 HA ALA 47 HA ALA 47 7.176 10.328 -6.073 400 HB1 ALA 47 1HB ALA 47 5.577 9.477 -4.401 401 HB2 ALA 47 2HB ALA 47 6.917 8.870 -3.421 402 HB3 ALA 47 3HB ALA 47 6.609 8.186 -5.019 403 H ARG 48 H ARG 48 8.837 10.728 -2.961 404 HA ARG 48 HA ARG 48 7.164 12.830 -1.977 405 HB2 ARG 48 2HB ARG 48 8.415 11.310 -0.450 406 HB3 ARG 48 3HB ARG 48 9.940 11.978 -1.031 407 HG2 ARG 48 2HG ARG 48 9.238 14.222 -0.168 408 HG3 ARG 48 3HG ARG 48 7.779 13.481 0.486 409 HD2 ARG 48 2HD ARG 48 9.079 12.163 2.045 410 HD3 ARG 48 3HD ARG 48 10.591 12.678 1.290 411 HE ARG 48 HE ARG 48 8.985 14.865 2.264 412 HH11 ARG 48 1HH1 ARG 48 11.426 12.506 3.217 413 HH12 ARG 48 2HH1 ARG 48 12.008 13.472 4.538 414 HH21 ARG 48 1HH2 ARG 48 9.759 16.124 3.977 415 HH22 ARG 48 2HH2 ARG 48 11.058 15.530 4.967 416 H LYS 49 H LYS 49 10.323 12.746 -3.590 417 HA LYS 49 HA LYS 49 11.013 15.462 -3.329 418 HB2 LYS 49 2HB LYS 49 12.660 15.084 -5.091 419 HB3 LYS 49 3HB LYS 49 12.630 13.709 -3.995 420 HG2 LYS 49 2HG LYS 49 11.226 12.471 -5.667 421 HG3 LYS 49 3HG LYS 49 11.421 13.827 -6.781 422 HD2 LYS 49 2HD LYS 49 13.670 12.098 -5.661 423 HD3 LYS 49 3HD LYS 49 12.994 11.990 -7.285 424 HE2 LYS 49 2HE LYS 49 14.475 14.386 -6.143 425 HE3 LYS 49 3HE LYS 49 15.122 13.213 -7.290 426 HZ1 LYS 49 1HZ LYS 49 12.826 15.021 -7.795 427 HZ2 LYS 49 2HZ LYS 49 13.460 13.904 -8.889 428 HZ3 LYS 49 3HZ LYS 49 14.391 15.222 -8.394 429 H GLN 50 H GLN 50 8.708 13.917 -5.356 430 HA GLN 50 HA GLN 50 8.291 16.327 -7.011 431 HB2 GLN 50 2HB GLN 50 7.168 13.512 -7.355 432 HB3 GLN 50 3HB GLN 50 6.941 14.859 -8.473 433 HG2 GLN 50 2HG GLN 50 9.403 14.894 -8.880 434 HG3 GLN 50 3HG GLN 50 9.572 13.497 -7.813 435 HE21 GLN 50 1HE2 GLN 50 10.395 12.161 -9.421 436 HE22 GLN 50 2HE2 GLN 50 9.434 11.580 -10.730 437 H GLY 51 H GLY 51 7.043 14.657 -4.294 438 HA2 GLY 51 2HA GLY 51 5.347 15.238 -2.849 439 HA3 GLY 51 3HA GLY 51 4.865 16.524 -3.943 440 H ARG 52 H ARG 52 5.106 13.594 -5.576 441 HA ARG 52 HA ARG 52 2.254 13.466 -6.016 442 HB2 ARG 52 2HB ARG 52 2.838 11.656 -7.653 443 HB3 ARG 52 3HB ARG 52 3.730 13.149 -7.932 444 HG2 ARG 52 2HG ARG 52 5.715 12.187 -6.838 445 HG3 ARG 52 3HG ARG 52 4.828 10.697 -6.519 446 HD2 ARG 52 2HD ARG 52 4.689 10.198 -8.881 447 HD3 ARG 52 3HD ARG 52 5.360 11.781 -9.305 448 HE ARG 52 HE ARG 52 7.260 10.585 -7.712 449 HH11 ARG 52 1HH1 ARG 52 5.770 9.811 -10.812 450 HH12 ARG 52 2HH1 ARG 52 7.168 8.967 -11.405 451 HH21 ARG 52 1HH2 ARG 52 9.082 9.528 -8.515 452 HH22 ARG 52 2HH2 ARG 52 9.052 8.811 -10.089 453 HA PRO 53 HA PRO 53 1.455 9.933 -3.256 454 HB2 PRO 53 2HB PRO 53 -0.659 9.071 -5.177 455 HB3 PRO 53 3HB PRO 53 -0.820 9.569 -3.480 456 HG2 PRO 53 2HG PRO 53 -1.705 11.136 -5.475 457 HG3 PRO 53 3HG PRO 53 -0.983 11.826 -4.001 458 HD2 PRO 53 2HD PRO 53 0.295 11.414 -6.707 459 HD3 PRO 53 3HD PRO 53 0.374 12.829 -5.626 460 H ILE 54 H ILE 54 1.496 7.565 -3.347 461 HA ILE 54 HA ILE 54 2.417 6.275 -5.767 462 HB ILE 54 HB ILE 54 4.514 7.176 -4.840 463 HG12 ILE 54 2HG1 ILE 54 4.411 4.159 -4.421 464 HG13 ILE 54 3HG1 ILE 54 4.507 4.944 -5.993 465 HG21 ILE 54 1HG2 ILE 54 3.945 5.587 -2.320 466 HG22 ILE 54 2HG2 ILE 54 3.896 7.344 -2.467 467 HG23 ILE 54 3HG2 ILE 54 5.426 6.486 -2.668 468 HD11 ILE 54 1HD1 ILE 54 6.589 5.073 -3.818 469 HD12 ILE 54 2HD1 ILE 54 6.675 5.895 -5.379 470 HD13 ILE 54 3HD1 ILE 54 6.660 4.134 -5.309 471 H VAL 55 H VAL 55 1.756 4.192 -5.833 472 HA VAL 55 HA VAL 55 0.790 2.884 -3.366 473 HB VAL 55 HB VAL 55 -0.058 2.224 -6.230 474 HG11 VAL 55 1HG1 VAL 55 -1.730 0.743 -5.158 475 HG12 VAL 55 2HG1 VAL 55 -1.061 1.132 -3.571 476 HG13 VAL 55 3HG1 VAL 55 -0.083 0.253 -4.750 477 HG21 VAL 55 1HG2 VAL 55 -1.016 4.376 -5.498 478 HG22 VAL 55 2HG2 VAL 55 -1.654 3.611 -4.047 479 HG23 VAL 55 3HG2 VAL 55 -2.266 3.140 -5.635 480 H ILE 56 H ILE 56 2.140 1.432 -2.672 481 HA ILE 56 HA ILE 56 4.147 0.145 -4.374 482 HB ILE 56 HB ILE 56 3.770 0.128 -1.340 483 HG12 ILE 56 2HG1 ILE 56 4.446 2.371 -2.259 484 HG13 ILE 56 3HG1 ILE 56 5.656 1.670 -1.194 485 HG21 ILE 56 1HG2 ILE 56 6.071 -0.975 -2.990 486 HG22 ILE 56 2HG2 ILE 56 4.890 -1.915 -2.076 487 HG23 ILE 56 3HG2 ILE 56 6.029 -0.871 -1.228 488 HD11 ILE 56 1HD1 ILE 56 5.773 1.703 -4.209 489 HD12 ILE 56 2HD1 ILE 56 7.001 1.028 -3.131 490 HD13 ILE 56 3HD1 ILE 56 6.660 2.757 -3.111 491 H PHE 57 H PHE 57 4.015 -2.007 -4.831 492 HA PHE 57 HA PHE 57 1.890 -3.695 -3.643 493 HB2 PHE 57 2HB PHE 57 3.001 -3.820 -6.494 494 HB3 PHE 57 3HB PHE 57 1.784 -4.893 -5.825 495 HD1 PHE 57 HD1 PHE 57 -0.488 -3.901 -5.178 496 HD2 PHE 57 HD2 PHE 57 2.363 -1.772 -7.556 497 HE1 PHE 57 HE1 PHE 57 -2.263 -2.418 -6.007 498 HE2 PHE 57 HE2 PHE 57 0.576 -0.292 -8.371 499 HZ PHE 57 HZ PHE 57 -1.737 -0.619 -7.596 500 H ILE 58 H ILE 58 3.062 -4.922 -2.211 501 HA ILE 58 HA ILE 58 5.654 -6.081 -3.057 502 HB ILE 58 HB ILE 58 4.563 -5.964 -0.202 503 HG12 ILE 58 2HG1 ILE 58 6.648 -4.117 -1.457 504 HG13 ILE 58 3HG1 ILE 58 4.987 -3.658 -1.104 505 HG21 ILE 58 1HG2 ILE 58 7.353 -6.594 -1.258 506 HG22 ILE 58 2HG2 ILE 58 6.205 -7.765 -0.603 507 HG23 ILE 58 3HG2 ILE 58 6.891 -6.523 0.446 508 HD11 ILE 58 1HD1 ILE 58 7.050 -4.468 0.944 509 HD12 ILE 58 2HD1 ILE 58 5.387 -3.977 1.275 510 HD13 ILE 58 3HD1 ILE 58 6.523 -2.826 0.576 511 H ARG 59 H ARG 59 5.755 -8.271 -3.355 512 HA ARG 59 HA ARG 59 3.431 -9.918 -2.744 513 HB2 ARG 59 2HB ARG 59 4.589 -10.289 -4.895 514 HB3 ARG 59 3HB ARG 59 6.075 -10.707 -4.041 515 HG2 ARG 59 2HG ARG 59 4.995 -12.661 -3.049 516 HG3 ARG 59 3HG ARG 59 3.457 -12.223 -3.791 517 HD2 ARG 59 2HD ARG 59 4.421 -12.608 -6.023 518 HD3 ARG 59 3HD ARG 59 5.981 -13.006 -5.284 519 HE ARG 59 HE ARG 59 3.978 -14.643 -4.158 520 HH11 ARG 59 1HH1 ARG 59 5.734 -14.320 -7.198 521 HH12 ARG 59 2HH1 ARG 59 5.560 -15.999 -7.602 522 HH21 ARG 59 1HH2 ARG 59 3.780 -16.836 -4.701 523 HH22 ARG 59 2HH2 ARG 59 4.454 -17.417 -6.191 524 H GLY 60 H GLY 60 3.204 -10.445 -0.673 525 HA2 GLY 60 2HA GLY 60 3.491 -11.581 1.286 526 HA3 GLY 60 3HA GLY 60 4.846 -12.400 0.539 527 H ALA 61 H ALA 61 3.974 -9.307 2.104 528 HA ALA 61 HA ALA 61 6.732 -8.966 3.116 529 HB1 ALA 61 1HB ALA 61 6.094 -6.627 3.553 530 HB2 ALA 61 2HB ALA 61 4.449 -6.963 3.000 531 HB3 ALA 61 3HB ALA 61 5.795 -7.053 1.868 532 H THR 62 H THR 62 7.142 -9.212 5.221 533 HA THR 62 HA THR 62 5.004 -9.949 7.093 534 HB THR 62 HB THR 62 6.820 -11.530 6.925 535 HG1 THR 62 HG1 THR 62 7.722 -10.754 9.308 536 HG21 THR 62 1HG2 THR 62 9.149 -10.994 7.529 537 HG22 THR 62 2HG2 THR 62 8.724 -9.292 7.686 538 HG23 THR 62 3HG2 THR 62 8.627 -10.079 6.109 539 H GLU 63 H GLU 63 5.650 -9.261 9.498 540 HA GLU 63 HA GLU 63 4.643 -6.670 9.589 541 HB2 GLU 63 2HB GLU 63 4.995 -6.888 12.111 542 HB3 GLU 63 3HB GLU 63 4.020 -8.127 11.335 543 HG2 GLU 63 2HG GLU 63 5.896 -9.688 11.368 544 HG3 GLU 63 3HG GLU 63 6.951 -8.448 12.049 545 H GLU 64 H GLU 64 7.975 -7.685 10.563 546 HA GLU 64 HA GLU 64 8.815 -5.127 11.384 547 HB2 GLU 64 2HB GLU 64 11.154 -5.948 11.170 548 HB3 GLU 64 3HB GLU 64 10.118 -7.014 12.099 549 HG2 GLU 64 2HG GLU 64 10.492 -7.637 9.184 550 HG3 GLU 64 3HG GLU 64 11.851 -7.927 10.268 551 H VAL 65 H VAL 65 8.713 -6.574 8.207 552 HA VAL 65 HA VAL 65 10.245 -4.619 6.809 553 HB VAL 65 HB VAL 65 8.162 -6.651 5.890 554 HG11 VAL 65 1HG1 VAL 65 9.949 -4.936 4.151 555 HG12 VAL 65 2HG1 VAL 65 8.189 -4.867 4.233 556 HG13 VAL 65 3HG1 VAL 65 8.987 -6.299 3.578 557 HG21 VAL 65 1HG2 VAL 65 10.105 -7.949 5.090 558 HG22 VAL 65 2HG2 VAL 65 10.218 -7.638 6.825 559 HG23 VAL 65 3HG2 VAL 65 11.197 -6.696 5.697 560 H VAL 66 H VAL 66 6.692 -5.170 7.051 561 HA VAL 66 HA VAL 66 5.929 -2.992 5.433 562 HB VAL 66 HB VAL 66 4.208 -4.319 7.587 563 HG11 VAL 66 1HG1 VAL 66 3.402 -2.775 5.086 564 HG12 VAL 66 2HG1 VAL 66 3.239 -2.214 6.752 565 HG13 VAL 66 3HG1 VAL 66 2.288 -3.590 6.188 566 HG21 VAL 66 1HG2 VAL 66 5.118 -6.019 6.055 567 HG22 VAL 66 2HG2 VAL 66 4.524 -5.109 4.667 568 HG23 VAL 66 3HG2 VAL 66 3.382 -5.825 5.808 569 H ARG 67 H ARG 67 6.137 -3.314 8.993 570 HA ARG 67 HA ARG 67 5.021 -0.829 9.697 571 HB2 ARG 67 2HB ARG 67 5.862 -1.155 11.921 572 HB3 ARG 67 3HB ARG 67 5.425 -2.747 11.311 573 HG2 ARG 67 2HG ARG 67 7.800 -3.230 10.848 574 HG3 ARG 67 3HG ARG 67 8.247 -1.626 11.428 575 HD2 ARG 67 2HD ARG 67 8.674 -3.330 13.116 576 HD3 ARG 67 3HD ARG 67 7.432 -2.200 13.662 577 HE ARG 67 HE ARG 67 5.815 -3.990 12.850 578 HH11 ARG 67 1HH1 ARG 67 8.977 -4.817 14.161 579 HH12 ARG 67 2HH1 ARG 67 8.447 -6.362 14.749 580 HH21 ARG 67 1HH2 ARG 67 5.124 -5.916 13.743 581 HH22 ARG 67 2HH2 ARG 67 6.256 -6.979 14.509 582 H ASP 68 H ASP 68 8.293 -1.743 8.791 583 HA ASP 68 HA ASP 68 9.572 0.611 9.819 584 HB2 ASP 68 2HB ASP 68 10.689 -1.650 9.574 585 HB3 ASP 68 3HB ASP 68 10.690 -1.418 7.828 586 H ILE 69 H ILE 69 8.313 -0.489 6.736 587 HA ILE 69 HA ILE 69 9.056 1.780 5.152 588 HB ILE 69 HB ILE 69 6.842 -0.289 4.783 589 HG12 ILE 69 2HG1 ILE 69 9.606 -0.180 3.471 590 HG13 ILE 69 3HG1 ILE 69 9.198 -1.204 4.843 591 HG21 ILE 69 1HG2 ILE 69 6.333 1.723 3.485 592 HG22 ILE 69 2HG2 ILE 69 6.791 0.402 2.411 593 HG23 ILE 69 3HG2 ILE 69 7.944 1.691 2.764 594 HD11 ILE 69 1HD1 ILE 69 8.004 -1.381 2.079 595 HD12 ILE 69 2HD1 ILE 69 7.546 -2.377 3.464 596 HD13 ILE 69 3HD1 ILE 69 9.176 -2.480 2.808 597 H VAL 70 H VAL 70 6.200 0.940 7.091 598 HA VAL 70 HA VAL 70 4.474 3.055 6.313 599 HB VAL 70 HB VAL 70 4.511 1.205 8.738 600 HG11 VAL 70 1HG1 VAL 70 3.495 3.302 9.531 601 HG12 VAL 70 2HG1 VAL 70 2.279 2.033 9.393 602 HG13 VAL 70 3HG1 VAL 70 2.380 3.293 8.162 603 HG21 VAL 70 1HG2 VAL 70 2.522 0.201 7.684 604 HG22 VAL 70 2HG2 VAL 70 3.886 0.208 6.563 605 HG23 VAL 70 3HG2 VAL 70 2.596 1.398 6.384 606 H GLU 71 H GLU 71 6.592 2.638 9.154 607 HA GLU 71 HA GLU 71 6.082 5.201 10.293 608 HB2 GLU 71 2HB GLU 71 7.824 4.681 11.897 609 HB3 GLU 71 3HB GLU 71 6.854 3.237 11.637 610 HG2 GLU 71 2HG GLU 71 8.603 2.359 10.114 611 HG3 GLU 71 3HG GLU 71 9.579 3.792 10.428 612 H TYR 72 H TYR 72 8.440 3.935 8.006 613 HA TYR 72 HA TYR 72 10.251 6.060 7.858 614 HB2 TYR 72 2HB TYR 72 10.632 3.953 6.650 615 HB3 TYR 72 3HB TYR 72 9.221 4.233 5.640 616 HD1 TYR 72 HD1 TYR 72 12.443 5.945 6.564 617 HD2 TYR 72 HD2 TYR 72 9.619 5.070 3.468 618 HE1 TYR 72 HE1 TYR 72 13.861 7.112 4.937 619 HE2 TYR 72 HE2 TYR 72 11.041 6.241 1.846 620 HH TYR 72 HH TYR 72 12.789 8.011 1.888 621 H ALA 73 H ALA 73 7.282 5.489 5.963 622 HA ALA 73 HA ALA 73 7.256 7.974 4.618 623 HB1 ALA 73 1HB ALA 73 6.114 5.995 3.754 624 HB2 ALA 73 2HB ALA 73 4.979 7.336 3.928 625 HB3 ALA 73 3HB ALA 73 4.991 6.024 5.112 626 H GLN 74 H GLN 74 5.963 6.977 7.742 627 HA GLN 74 HA GLN 74 4.350 9.256 8.272 628 HB2 GLN 74 2HB GLN 74 5.728 7.251 10.090 629 HB3 GLN 74 3HB GLN 74 4.757 8.568 10.734 630 HG2 GLN 74 2HG GLN 74 3.688 6.495 8.794 631 HG3 GLN 74 3HG GLN 74 3.570 6.353 10.548 632 HE21 GLN 74 1HE2 GLN 74 2.110 7.659 11.668 633 HE22 GLN 74 2HE2 GLN 74 0.904 8.611 10.874 634 H LYS 75 H LYS 75 7.806 8.583 8.807 635 HA LYS 75 HA LYS 75 8.459 11.064 10.079 636 HB2 LYS 75 2HB LYS 75 10.246 9.183 8.473 637 HB3 LYS 75 3HB LYS 75 10.823 10.531 9.449 638 HG2 LYS 75 2HG LYS 75 9.911 9.410 11.476 639 HG3 LYS 75 3HG LYS 75 9.430 8.042 10.476 640 HD2 LYS 75 2HD LYS 75 12.278 9.021 10.916 641 HD3 LYS 75 3HD LYS 75 11.551 7.599 11.660 642 HE2 LYS 75 2HE LYS 75 12.850 6.718 9.902 643 HE3 LYS 75 3HE LYS 75 11.223 6.736 9.228 644 HZ1 LYS 75 1HZ LYS 75 12.961 7.556 7.690 645 HZ2 LYS 75 2HZ LYS 75 13.275 8.843 8.738 646 HZ3 LYS 75 3HZ LYS 75 11.766 8.715 7.980 647 H GLU 76 H GLU 76 8.386 9.929 6.706 648 HA GLU 76 HA GLU 76 9.482 12.231 5.470 649 HB2 GLU 76 2HB GLU 76 7.483 10.266 4.263 650 HB3 GLU 76 3HB GLU 76 8.548 11.343 3.374 651 HG2 GLU 76 2HG GLU 76 9.302 8.881 4.956 652 HG3 GLU 76 3HG GLU 76 9.407 9.111 3.221 653 H GLY 77 H GLY 77 6.355 11.539 6.803 654 HA2 GLY 77 2HA GLY 77 4.701 13.041 7.410 655 HA3 GLY 77 3HA GLY 77 5.448 14.284 6.416 656 H LEU 78 H LEU 78 4.651 11.070 5.310 657 HA LEU 78 HA LEU 78 2.790 12.166 3.296 658 HB2 LEU 78 2HB LEU 78 4.341 9.541 3.204 659 HB3 LEU 78 3HB LEU 78 3.429 10.273 1.892 660 HG LEU 78 HG LEU 78 6.013 11.349 3.091 661 HD11 LEU 78 1HD1 LEU 78 6.394 9.378 1.705 662 HD12 LEU 78 2HD1 LEU 78 7.034 10.824 0.930 663 HD13 LEU 78 3HD1 LEU 78 5.514 10.121 0.365 664 HD21 LEU 78 1HD2 LEU 78 4.376 12.477 0.806 665 HD22 LEU 78 2HD2 LEU 78 5.970 13.043 1.312 666 HD23 LEU 78 3HD2 LEU 78 4.594 13.205 2.399 667 H ARG 79 H ARG 79 0.800 11.188 2.974 668 HA ARG 79 HA ARG 79 -0.482 10.045 5.239 669 HB2 ARG 79 2HB ARG 79 -1.577 11.565 3.560 670 HB3 ARG 79 3HB ARG 79 -1.485 10.273 2.368 671 HG2 ARG 79 2HG ARG 79 -2.924 8.877 3.961 672 HG3 ARG 79 3HG ARG 79 -3.166 10.356 4.896 673 HD2 ARG 79 2HD ARG 79 -4.001 9.820 2.031 674 HD3 ARG 79 3HD ARG 79 -5.054 10.075 3.423 675 HE ARG 79 HE ARG 79 -3.373 12.153 2.142 676 HH11 ARG 79 1HH1 ARG 79 -6.247 11.303 4.002 677 HH12 ARG 79 2HH1 ARG 79 -6.865 12.924 3.999 678 HH21 ARG 79 1HH2 ARG 79 -4.218 14.260 2.130 679 HH22 ARG 79 2HH2 ARG 79 -5.716 14.597 2.938 680 H VAL 80 H VAL 80 -0.210 7.931 5.831 681 HA VAL 80 HA VAL 80 0.504 5.920 3.816 682 HB VAL 80 HB VAL 80 0.574 5.550 6.850 683 HG11 VAL 80 1HG1 VAL 80 1.920 4.003 4.597 684 HG12 VAL 80 2HG1 VAL 80 0.531 3.456 5.537 685 HG13 VAL 80 3HG1 VAL 80 2.097 3.669 6.322 686 HG21 VAL 80 1HG2 VAL 80 3.010 5.992 6.721 687 HG22 VAL 80 2HG2 VAL 80 2.066 7.409 6.253 688 HG23 VAL 80 3HG2 VAL 80 2.837 6.417 5.014 689 H LEU 81 H LEU 81 -0.925 4.543 3.115 690 HA LEU 81 HA LEU 81 -3.224 3.638 4.753 691 HB2 LEU 81 2HB LEU 81 -2.852 3.581 1.717 692 HB3 LEU 81 3HB LEU 81 -4.222 2.913 2.576 693 HG LEU 81 HG LEU 81 -4.911 4.963 1.526 694 HD11 LEU 81 1HD1 LEU 81 -5.760 6.267 3.388 695 HD12 LEU 81 2HD1 LEU 81 -4.629 5.475 4.488 696 HD13 LEU 81 3HD1 LEU 81 -5.901 4.537 3.700 697 HD21 LEU 81 1HD2 LEU 81 -3.930 7.150 1.926 698 HD22 LEU 81 2HD2 LEU 81 -2.724 6.052 1.258 699 HD23 LEU 81 3HD2 LEU 81 -2.703 6.440 2.981 700 H VAL 82 H VAL 82 -3.557 1.263 4.678 701 HA VAL 82 HA VAL 82 -1.342 -0.362 3.597 702 HB VAL 82 HB VAL 82 -2.362 -0.664 6.466 703 HG11 VAL 82 1HG1 VAL 82 -0.305 -2.336 4.970 704 HG12 VAL 82 2HG1 VAL 82 -1.916 -2.865 5.459 705 HG13 VAL 82 3HG1 VAL 82 -0.703 -2.491 6.683 706 HG21 VAL 82 1HG2 VAL 82 -0.768 1.206 6.254 707 HG22 VAL 82 2HG2 VAL 82 0.406 0.133 5.491 708 HG23 VAL 82 3HG2 VAL 82 -0.062 -0.125 7.175 709 H ILE 83 H ILE 83 -2.263 -1.772 2.282 710 HA ILE 83 HA ILE 83 -4.768 -3.179 2.981 711 HB ILE 83 HB ILE 83 -3.423 -2.990 0.229 712 HG12 ILE 83 2HG1 ILE 83 -5.876 -1.529 1.282 713 HG13 ILE 83 3HG1 ILE 83 -4.344 -0.805 0.817 714 HG21 ILE 83 1HG2 ILE 83 -6.133 -4.152 0.986 715 HG22 ILE 83 2HG2 ILE 83 -4.696 -5.086 0.566 716 HG23 ILE 83 3HG2 ILE 83 -5.464 -4.059 -0.645 717 HD11 ILE 83 1HD1 ILE 83 -6.312 -2.152 -1.026 718 HD12 ILE 83 2HD1 ILE 83 -4.749 -1.485 -1.503 719 HD13 ILE 83 3HD1 ILE 83 -6.005 -0.424 -0.872 720 H MET 84 H MET 84 -4.547 -5.365 3.395 721 HA MET 84 HA MET 84 -2.170 -6.815 2.418 722 HB2 MET 84 2HB MET 84 -3.211 -6.759 5.282 723 HB3 MET 84 3HB MET 84 -2.174 -8.040 4.687 724 HG2 MET 84 2HG MET 84 -0.395 -6.437 4.223 725 HG3 MET 84 3HG MET 84 -1.435 -5.111 4.737 726 HE1 MET 84 1HE MET 84 -2.871 -6.170 7.326 727 HE2 MET 84 2HE MET 84 -2.080 -4.597 7.222 728 HE3 MET 84 3HE MET 84 -1.725 -5.677 8.568 729 H VAL 85 H VAL 85 -2.748 -8.615 1.374 730 HA VAL 85 HA VAL 85 -5.447 -9.774 1.669 731 HB VAL 85 HB VAL 85 -4.170 -9.052 -1.018 732 HG11 VAL 85 1HG1 VAL 85 -6.929 -10.187 -0.413 733 HG12 VAL 85 2HG1 VAL 85 -5.588 -11.053 -1.171 734 HG13 VAL 85 3HG1 VAL 85 -6.347 -9.697 -2.007 735 HG21 VAL 85 1HG2 VAL 85 -5.881 -7.317 -1.249 736 HG22 VAL 85 2HG2 VAL 85 -4.898 -7.026 0.187 737 HG23 VAL 85 3HG2 VAL 85 -6.521 -7.704 0.351 738 H ASP 86 H ASP 86 -5.237 -11.902 1.941 739 HA ASP 86 HA ASP 86 -3.383 -13.646 0.629 740 HB2 ASP 86 2HB ASP 86 -1.883 -12.363 2.251 741 HB3 ASP 86 3HB ASP 86 -2.829 -13.017 3.572 742 H GLN 87 H GLN 87 -4.028 -15.779 0.974 743 HA GLN 87 HA GLN 87 -6.668 -16.254 1.846 744 HB2 GLN 87 2HB GLN 87 -4.474 -18.298 1.305 745 HB3 GLN 87 3HB GLN 87 -6.203 -18.633 1.367 746 HG2 GLN 87 2HG GLN 87 -4.781 -16.903 -0.686 747 HG3 GLN 87 3HG GLN 87 -5.429 -18.520 -0.951 748 HE21 GLN 87 1HE2 GLN 87 -6.057 -15.921 -2.267 749 HE22 GLN 87 2HE2 GLN 87 -7.767 -15.733 -2.113 750 H ASP 88 H ASP 88 -3.555 -16.838 3.384 751 HA ASP 88 HA ASP 88 -4.638 -17.854 5.860 752 HB2 ASP 88 2HB ASP 88 -1.861 -16.755 5.213 753 HB3 ASP 88 3HB ASP 88 -2.308 -17.548 6.721 754 H GLN 89 H GLN 89 -6.170 -16.347 6.444 755 HA GLN 89 HA GLN 89 -5.797 -13.529 6.431 756 HB2 GLN 89 2HB GLN 89 -8.028 -14.551 6.224 757 HB3 GLN 89 3HB GLN 89 -7.900 -15.224 7.845 758 HG2 GLN 89 2HG GLN 89 -9.336 -13.237 7.813 759 HG3 GLN 89 3HG GLN 89 -7.906 -12.972 8.810 760 HE21 GLN 89 1HE2 GLN 89 -8.026 -12.801 5.252 761 HE22 GLN 89 2HE2 GLN 89 -7.669 -11.115 5.172 762 H GLU 90 H GLU 90 -5.357 -16.023 8.866 763 HA GLU 90 HA GLU 90 -5.273 -14.407 11.178 764 HB2 GLU 90 2HB GLU 90 -3.938 -17.085 10.630 765 HB3 GLU 90 3HB GLU 90 -4.123 -16.360 12.228 766 HG2 GLU 90 2HG GLU 90 -6.558 -16.509 12.060 767 HG3 GLU 90 3HG GLU 90 -6.434 -17.120 10.407 768 H GLU 91 H GLU 91 -2.765 -15.267 8.821 769 HA GLU 91 HA GLU 91 -0.544 -14.159 10.217 770 HB2 GLU 91 2HB GLU 91 -0.293 -15.723 8.279 771 HB3 GLU 91 3HB GLU 91 -0.901 -14.469 7.201 772 HG2 GLU 91 2HG GLU 91 1.034 -13.045 7.720 773 HG3 GLU 91 3HG GLU 91 1.626 -14.237 8.876 774 H LEU 92 H LEU 92 -2.893 -12.852 7.908 775 HA LEU 92 HA LEU 92 -1.811 -10.262 7.598 776 HB2 LEU 92 2HB LEU 92 -4.716 -11.147 7.409 777 HB3 LEU 92 3HB LEU 92 -4.090 -9.603 6.841 778 HG LEU 92 HG LEU 92 -3.461 -12.347 5.711 779 HD11 LEU 92 1HD1 LEU 92 -5.644 -11.485 5.064 780 HD12 LEU 92 2HD1 LEU 92 -4.548 -11.472 3.686 781 HD13 LEU 92 3HD1 LEU 92 -4.920 -9.966 4.529 782 HD21 LEU 92 1HD2 LEU 92 -1.409 -11.099 5.620 783 HD22 LEU 92 2HD2 LEU 92 -2.233 -9.665 5.025 784 HD23 LEU 92 3HD2 LEU 92 -2.109 -11.088 4.004 785 H GLU 93 H GLU 93 -4.132 -11.598 9.918 786 HA GLU 93 HA GLU 93 -4.858 -9.161 11.197 787 HB2 GLU 93 2HB GLU 93 -5.032 -12.035 12.201 788 HB3 GLU 93 3HB GLU 93 -5.787 -10.650 12.988 789 HG2 GLU 93 2HG GLU 93 -7.226 -10.283 11.039 790 HG3 GLU 93 3HG GLU 93 -6.439 -11.606 10.179 791 H ARG 94 H ARG 94 -2.193 -11.373 11.574 792 HA ARG 94 HA ARG 94 -1.215 -10.509 14.104 793 HB2 ARG 94 2HB ARG 94 -0.485 -12.635 13.219 794 HB3 ARG 94 3HB ARG 94 0.078 -11.900 11.728 795 HG2 ARG 94 2HG ARG 94 1.968 -12.545 13.093 796 HG3 ARG 94 3HG ARG 94 1.905 -10.787 12.963 797 HD2 ARG 94 2HD ARG 94 0.908 -10.668 15.232 798 HD3 ARG 94 3HD ARG 94 0.979 -12.434 15.345 799 HE ARG 94 HE ARG 94 3.524 -11.307 14.716 800 HH11 ARG 94 1HH1 ARG 94 1.373 -11.876 17.449 801 HH12 ARG 94 2HH1 ARG 94 2.672 -11.874 18.606 802 HH21 ARG 94 1HH2 ARG 94 5.192 -11.286 16.241 803 HH22 ARG 94 2HH2 ARG 94 4.827 -11.543 17.921 804 H ILE 95 H ILE 95 -0.394 -9.620 10.739 805 HA ILE 95 HA ILE 95 1.545 -7.631 11.410 806 HB ILE 95 HB ILE 95 -0.009 -7.648 8.794 807 HG12 ILE 95 2HG1 ILE 95 0.608 -9.981 9.059 808 HG13 ILE 95 3HG1 ILE 95 1.647 -9.269 7.840 809 HG21 ILE 95 1HG2 ILE 95 2.866 -6.929 9.403 810 HG22 ILE 95 2HG2 ILE 95 1.549 -5.796 9.109 811 HG23 ILE 95 3HG2 ILE 95 2.102 -6.857 7.813 812 HD11 ILE 95 1HD1 ILE 95 2.415 -9.889 10.694 813 HD12 ILE 95 2HD1 ILE 95 3.473 -9.162 9.480 814 HD13 ILE 95 3HD1 ILE 95 2.865 -10.801 9.255 815 H TYR 96 H TYR 96 -1.877 -7.607 10.646 816 HA TYR 96 HA TYR 96 -2.510 -4.908 10.423 817 HB2 TYR 96 2HB TYR 96 -4.042 -6.680 9.743 818 HB3 TYR 96 3HB TYR 96 -4.136 -7.304 11.375 819 HD1 TYR 96 HD1 TYR 96 -5.487 -4.852 9.007 820 HD2 TYR 96 HD2 TYR 96 -5.509 -6.082 13.104 821 HE1 TYR 96 HE1 TYR 96 -7.568 -3.592 9.382 822 HE2 TYR 96 HE2 TYR 96 -7.579 -4.812 13.476 823 HH TYR 96 HH TYR 96 -9.516 -3.627 11.010 824 H GLU 97 H GLU 97 -2.550 -7.041 13.255 825 HA GLU 97 HA GLU 97 -3.730 -5.381 15.145 826 HB2 GLU 97 2HB GLU 97 -3.115 -7.912 15.212 827 HB3 GLU 97 3HB GLU 97 -1.543 -7.400 15.793 828 HG2 GLU 97 2HG GLU 97 -4.173 -6.807 17.192 829 HG3 GLU 97 3HG GLU 97 -3.146 -8.181 17.567 830 H GLN 98 H GLN 98 -0.336 -5.684 14.190 831 HA GLN 98 HA GLN 98 0.701 -3.940 16.228 832 HB2 GLN 98 2HB GLN 98 2.012 -5.831 15.385 833 HB3 GLN 98 3HB GLN 98 1.995 -5.170 13.759 834 HG2 GLN 98 2HG GLN 98 3.224 -3.583 16.012 835 HG3 GLN 98 3HG GLN 98 4.128 -4.908 15.282 836 HE21 GLN 98 1HE2 GLN 98 4.605 -1.976 15.296 837 HE22 GLN 98 2HE2 GLN 98 4.745 -1.518 13.637 838 H LEU 99 H LEU 99 0.119 -3.653 12.713 839 HA LEU 99 HA LEU 99 1.155 -1.035 12.354 840 HB2 LEU 99 2HB LEU 99 -0.908 -2.590 10.749 841 HB3 LEU 99 3HB LEU 99 -0.179 -1.085 10.207 842 HG LEU 99 HG LEU 99 1.381 -3.648 10.734 843 HD11 LEU 99 1HD1 LEU 99 0.484 -2.473 8.087 844 HD12 LEU 99 2HD1 LEU 99 -0.138 -3.945 8.842 845 HD13 LEU 99 3HD1 LEU 99 1.537 -3.875 8.303 846 HD21 LEU 99 1HD2 LEU 99 2.733 -1.632 11.014 847 HD22 LEU 99 2HD2 LEU 99 2.229 -1.050 9.424 848 HD23 LEU 99 3HD2 LEU 99 3.208 -2.513 9.564 849 H LYS 100 H LYS 100 -1.955 -2.208 13.410 850 HA LYS 100 HA LYS 100 -3.570 0.062 12.894 851 HB2 LYS 100 2HB LYS 100 -4.303 -2.360 13.347 852 HB3 LYS 100 3HB LYS 100 -4.037 -2.045 15.052 853 HG2 LYS 100 2HG LYS 100 -5.938 -0.354 13.412 854 HG3 LYS 100 3HG LYS 100 -6.451 -1.892 14.103 855 HD2 LYS 100 2HD LYS 100 -5.922 -1.044 16.369 856 HD3 LYS 100 3HD LYS 100 -5.385 0.486 15.675 857 HE2 LYS 100 2HE LYS 100 -7.661 0.915 14.842 858 HE3 LYS 100 3HE LYS 100 -8.205 -0.625 15.516 859 HZ1 LYS 100 1HZ LYS 100 -7.595 0.195 17.726 860 HZ2 LYS 100 2HZ LYS 100 -8.756 1.182 16.991 861 HZ3 LYS 100 3HZ LYS 100 -7.141 1.684 17.058 862 H LYS 101 H LYS 101 -1.524 -0.906 15.575 863 HA LYS 101 HA LYS 101 -2.307 0.722 17.663 864 HB2 LYS 101 2HB LYS 101 0.555 -0.031 16.930 865 HB3 LYS 101 3HB LYS 101 0.017 0.518 18.518 866 HG2 LYS 101 2HG LYS 101 -1.406 -1.495 18.720 867 HG3 LYS 101 3HG LYS 101 -0.836 -2.046 17.138 868 HD2 LYS 101 2HD LYS 101 1.500 -2.104 18.045 869 HD3 LYS 101 3HD LYS 101 0.871 -1.635 19.631 870 HE2 LYS 101 2HE LYS 101 0.229 -4.182 18.111 871 HE3 LYS 101 3HE LYS 101 1.225 -4.046 19.561 872 HZ1 LYS 101 1HZ LYS 101 -1.002 -4.824 20.067 873 HZ2 LYS 101 2HZ LYS 101 -1.679 -3.436 19.392 874 HZ3 LYS 101 3HZ LYS 101 -0.732 -3.318 20.786 875 H ASP 102 H ASP 102 -0.374 1.599 14.851 876 HA ASP 102 HA ASP 102 0.632 4.080 15.890 877 HB2 ASP 102 2HB ASP 102 1.738 2.651 14.070 878 HB3 ASP 102 3HB ASP 102 0.516 3.250 12.952 879 H GLY 103 H GLY 103 -2.263 3.111 14.242 880 HA2 GLY 103 2HA GLY 103 -4.255 4.416 14.241 881 HA3 GLY 103 3HA GLY 103 -3.293 5.887 14.243 882 H VAL 104 H VAL 104 -1.977 3.708 12.077 883 HA VAL 104 HA VAL 104 -2.718 5.159 9.732 884 HB VAL 104 HB VAL 104 -1.245 2.497 10.090 885 HG11 VAL 104 1HG1 VAL 104 -2.149 2.595 7.806 886 HG12 VAL 104 2HG1 VAL 104 -0.394 2.783 7.788 887 HG13 VAL 104 3HG1 VAL 104 -1.435 4.193 7.576 888 HG21 VAL 104 1HG2 VAL 104 -0.187 5.306 9.603 889 HG22 VAL 104 2HG2 VAL 104 0.797 3.846 9.706 890 HG23 VAL 104 3HG2 VAL 104 -0.094 4.410 11.120 891 H ASP 105 H ASP 105 -4.029 4.463 7.945 892 HA ASP 105 HA ASP 105 -6.384 2.964 8.604 893 HB2 ASP 105 2HB ASP 105 -6.384 4.836 6.916 894 HB3 ASP 105 3HB ASP 105 -5.368 3.863 5.867 895 H VAL 106 H VAL 106 -6.108 0.859 8.955 896 HA VAL 106 HA VAL 106 -4.536 -0.805 7.067 897 HB VAL 106 HB VAL 106 -4.283 -2.428 9.005 898 HG11 VAL 106 1HG1 VAL 106 -2.427 -0.949 8.401 899 HG12 VAL 106 2HG1 VAL 106 -2.492 -1.137 10.153 900 HG13 VAL 106 3HG1 VAL 106 -3.088 0.347 9.403 901 HG21 VAL 106 1HG2 VAL 106 -6.164 -1.641 10.413 902 HG22 VAL 106 2HG2 VAL 106 -5.324 -0.115 10.700 903 HG23 VAL 106 3HG2 VAL 106 -4.645 -1.628 11.310 904 H ARG 107 H ARG 107 -5.531 -2.389 6.068 905 HA ARG 107 HA ARG 107 -8.212 -3.305 6.829 906 HB2 ARG 107 2HB ARG 107 -9.050 -2.899 4.516 907 HB3 ARG 107 3HB ARG 107 -8.617 -1.408 5.341 908 HG2 ARG 107 2HG ARG 107 -6.269 -1.944 4.017 909 HG3 ARG 107 3HG ARG 107 -7.432 -2.644 2.900 910 HD2 ARG 107 2HD ARG 107 -7.556 0.209 3.937 911 HD3 ARG 107 3HD ARG 107 -6.800 -0.267 2.420 912 HE ARG 107 HE ARG 107 -9.005 -1.046 1.690 913 HH11 ARG 107 1HH1 ARG 107 -8.858 1.340 4.270 914 HH12 ARG 107 2HH1 ARG 107 -10.450 1.941 3.949 915 HH21 ARG 107 1HH2 ARG 107 -11.069 -0.188 1.253 916 HH22 ARG 107 2HH2 ARG 107 -11.705 1.078 2.245 917 H VAL 108 H VAL 108 -8.413 -5.416 6.524 918 HA VAL 108 HA VAL 108 -6.479 -6.895 4.848 919 HB VAL 108 HB VAL 108 -6.596 -8.744 6.600 920 HG11 VAL 108 1HG1 VAL 108 -4.905 -7.753 8.083 921 HG12 VAL 108 2HG1 VAL 108 -5.315 -6.140 7.493 922 HG13 VAL 108 3HG1 VAL 108 -4.610 -7.332 6.396 923 HG21 VAL 108 1HG2 VAL 108 -8.620 -8.004 7.807 924 HG22 VAL 108 2HG2 VAL 108 -7.779 -6.555 8.366 925 HG23 VAL 108 3HG2 VAL 108 -7.253 -8.151 8.915 926 H THR 109 H THR 109 -7.310 -8.613 3.720 927 HA THR 109 HA THR 109 -9.835 -9.834 4.319 928 HB THR 109 HB THR 109 -10.724 -7.854 3.155 929 HG1 THR 109 HG1 THR 109 -12.110 -9.208 2.377 930 HG21 THR 109 1HG2 THR 109 -10.227 -7.368 0.781 931 HG22 THR 109 2HG2 THR 109 -8.992 -8.629 0.776 932 HG23 THR 109 3HG2 THR 109 -8.788 -7.193 1.785 933 H ASP 110 H ASP 110 -9.780 -11.921 3.601 934 HA ASP 110 HA ASP 110 -7.820 -12.687 1.522 935 HB2 ASP 110 2HB ASP 110 -8.430 -15.057 2.164 936 HB3 ASP 110 3HB ASP 110 -7.707 -14.129 3.468 937 H ASN 111 H ASN 111 -8.913 -11.639 -0.106 938 HA ASN 111 HA ASN 111 -10.736 -13.084 -1.673 939 HB2 ASN 111 2HB ASN 111 -12.018 -11.166 0.209 940 HB3 ASN 111 3HB ASN 111 -12.424 -10.826 -1.461 941 HD21 ASN 111 1HD2 ASN 111 -12.869 -13.040 1.180 942 HD22 ASN 111 2HD2 ASN 111 -14.075 -14.011 0.413 943 H GLU 112 H GLU 112 -10.397 -12.440 -3.716 944 HA GLU 112 HA GLU 112 -8.180 -10.651 -4.116 945 HB2 GLU 112 2HB GLU 112 -8.331 -12.860 -5.181 946 HB3 GLU 112 3HB GLU 112 -9.776 -12.365 -6.054 947 HG2 GLU 112 2HG GLU 112 -8.479 -10.768 -7.367 948 HG3 GLU 112 3HG GLU 112 -7.024 -11.130 -6.430 949 H ASP 113 H ASP 113 -11.564 -10.755 -5.299 950 HA ASP 113 HA ASP 113 -11.297 -8.305 -6.803 951 HB2 ASP 113 2HB ASP 113 -12.818 -10.225 -7.487 952 HB3 ASP 113 3HB ASP 113 -13.896 -9.762 -6.175 953 H GLU 114 H GLU 114 -12.450 -9.220 -3.641 954 HA GLU 114 HA GLU 114 -13.675 -6.786 -2.858 955 HB2 GLU 114 2HB GLU 114 -14.013 -8.852 -1.602 956 HB3 GLU 114 3HB GLU 114 -12.295 -8.955 -1.238 957 HG2 GLU 114 2HG GLU 114 -13.520 -8.223 0.726 958 HG3 GLU 114 3HG GLU 114 -12.457 -6.936 0.160 959 H ALA 115 H ALA 115 -10.331 -7.940 -2.814 960 HA ALA 115 HA ALA 115 -9.046 -5.872 -1.446 961 HB1 ALA 115 1HB ALA 115 -8.042 -7.466 -3.824 962 HB2 ALA 115 2HB ALA 115 -7.959 -7.968 -2.136 963 HB3 ALA 115 3HB ALA 115 -7.038 -6.565 -2.677 964 H LYS 116 H LYS 116 -10.028 -6.158 -4.815 965 HA LYS 116 HA LYS 116 -8.891 -3.769 -5.831 966 HB2 LYS 116 2HB LYS 116 -11.153 -5.549 -6.811 967 HB3 LYS 116 3HB LYS 116 -10.510 -4.205 -7.752 968 HG2 LYS 116 2HG LYS 116 -8.430 -5.265 -8.101 969 HG3 LYS 116 3HG LYS 116 -8.659 -6.376 -6.750 970 HD2 LYS 116 2HD LYS 116 -8.850 -7.507 -8.947 971 HD3 LYS 116 3HD LYS 116 -10.321 -7.631 -7.994 972 HE2 LYS 116 2HE LYS 116 -11.346 -5.831 -9.354 973 HE3 LYS 116 3HE LYS 116 -9.865 -5.733 -10.315 974 HZ1 LYS 116 1HZ LYS 116 -10.189 -8.018 -10.998 975 HZ2 LYS 116 2HZ LYS 116 -11.552 -7.096 -11.389 976 HZ3 LYS 116 3HZ LYS 116 -11.590 -8.142 -10.057 977 H LYS 117 H LYS 117 -11.994 -4.491 -4.303 978 HA LYS 117 HA LYS 117 -13.309 -2.006 -4.788 979 HB2 LYS 117 2HB LYS 117 -13.665 -3.965 -2.472 980 HB3 LYS 117 3HB LYS 117 -14.808 -2.701 -2.916 981 HG2 LYS 117 2HG LYS 117 -14.049 -5.053 -4.671 982 HG3 LYS 117 3HG LYS 117 -15.477 -4.992 -3.644 983 HD2 LYS 117 2HD LYS 117 -14.968 -2.993 -5.878 984 HD3 LYS 117 3HD LYS 117 -15.820 -4.514 -6.128 985 HE2 LYS 117 2HE LYS 117 -17.470 -2.793 -5.837 986 HE3 LYS 117 3HE LYS 117 -17.492 -3.795 -4.388 987 HZ1 LYS 117 1HZ LYS 117 -16.134 -1.157 -4.631 988 HZ2 LYS 117 2HZ LYS 117 -16.232 -2.099 -3.229 989 HZ3 LYS 117 3HZ LYS 117 -17.630 -1.422 -3.889 990 H ARG 118 H ARG 118 -11.456 -3.276 -2.035 991 HA ARG 118 HA ARG 118 -11.464 -0.956 -0.413 992 HB2 ARG 118 2HB ARG 118 -9.503 -3.291 -0.462 993 HB3 ARG 118 3HB ARG 118 -9.639 -2.116 0.843 994 HG2 ARG 118 2HG ARG 118 -11.805 -4.071 -0.003 995 HG3 ARG 118 3HG ARG 118 -10.731 -4.266 1.382 996 HD2 ARG 118 2HD ARG 118 -11.702 -2.217 2.404 997 HD3 ARG 118 3HD ARG 118 -12.792 -2.055 1.022 998 HE ARG 118 HE ARG 118 -13.304 -4.564 1.899 999 HH11 ARG 118 1HH1 ARG 118 -13.325 -1.439 3.564 1000 HH12 ARG 118 2HH1 ARG 118 -14.529 -1.941 4.705 1001 HH21 ARG 118 1HH2 ARG 118 -14.847 -5.185 3.403 1002 HH22 ARG 118 2HH2 ARG 118 -15.393 -4.068 4.612 1003 H LEU 119 H LEU 119 -9.508 -1.946 -3.109 1004 HA LEU 119 HA LEU 119 -7.266 -0.244 -2.789 1005 HB2 LEU 119 2HB LEU 119 -7.645 -2.316 -4.368 1006 HB3 LEU 119 3HB LEU 119 -8.362 -1.171 -5.470 1007 HG LEU 119 HG LEU 119 -6.062 -1.680 -6.122 1008 HD11 LEU 119 1HD1 LEU 119 -6.866 0.584 -6.612 1009 HD12 LEU 119 2HD1 LEU 119 -5.127 0.522 -6.364 1010 HD13 LEU 119 3HD1 LEU 119 -6.170 1.155 -5.092 1011 HD21 LEU 119 1HD2 LEU 119 -4.124 -1.154 -4.761 1012 HD22 LEU 119 2HD2 LEU 119 -5.176 -2.279 -3.902 1013 HD23 LEU 119 3HD2 LEU 119 -5.158 -0.572 -3.453 1014 H LYS 120 H LYS 120 -10.228 0.050 -4.846 1015 HA LYS 120 HA LYS 120 -9.651 2.640 -5.825 1016 HB2 LYS 120 2HB LYS 120 -11.350 0.989 -6.828 1017 HB3 LYS 120 3HB LYS 120 -12.470 1.509 -5.571 1018 HG2 LYS 120 2HG LYS 120 -12.094 3.912 -6.443 1019 HG3 LYS 120 3HG LYS 120 -11.287 3.171 -7.823 1020 HD2 LYS 120 2HD LYS 120 -13.571 3.690 -8.433 1021 HD3 LYS 120 3HD LYS 120 -13.404 1.933 -8.340 1022 HE2 LYS 120 2HE LYS 120 -15.519 2.771 -7.323 1023 HE3 LYS 120 3HE LYS 120 -14.510 1.911 -6.161 1024 HZ1 LYS 120 1HZ LYS 120 -14.802 4.856 -6.427 1025 HZ2 LYS 120 2HZ LYS 120 -13.711 4.104 -5.383 1026 HZ3 LYS 120 3HZ LYS 120 -15.373 3.891 -5.163 1027 H GLU 121 H GLU 121 -11.301 1.512 -2.941 1028 HA GLU 121 HA GLU 121 -12.613 3.837 -2.118 1029 HB2 GLU 121 2HB GLU 121 -12.796 1.493 -1.121 1030 HB3 GLU 121 3HB GLU 121 -11.288 1.815 -0.269 1031 HG2 GLU 121 2HG GLU 121 -13.119 2.210 1.247 1032 HG3 GLU 121 3HG GLU 121 -12.382 3.763 0.853 1033 H LEU 122 H LEU 122 -9.235 2.840 -1.684 1034 HA LEU 122 HA LEU 122 -8.467 5.094 -0.038 1035 HB2 LEU 122 2HB LEU 122 -6.740 3.104 -1.555 1036 HB3 LEU 122 3HB LEU 122 -6.152 4.263 -0.366 1037 HG LEU 122 HG LEU 122 -7.961 1.877 0.148 1038 HD11 LEU 122 1HD1 LEU 122 -5.671 1.247 -0.142 1039 HD12 LEU 122 2HD1 LEU 122 -6.072 1.131 1.565 1040 HD13 LEU 122 3HD1 LEU 122 -5.124 2.494 0.977 1041 HD21 LEU 122 1HD2 LEU 122 -7.062 4.004 2.120 1042 HD22 LEU 122 2HD2 LEU 122 -7.868 2.490 2.540 1043 HD23 LEU 122 3HD2 LEU 122 -8.716 3.697 1.578 1044 H LEU 123 H LEU 123 -8.471 4.281 -3.438 1045 HA LEU 123 HA LEU 123 -6.957 6.532 -4.320 1046 HB2 LEU 123 2HB LEU 123 -8.542 4.361 -5.639 1047 HB3 LEU 123 3HB LEU 123 -8.338 5.836 -6.560 1048 HG LEU 123 HG LEU 123 -6.628 4.099 -7.112 1049 HD11 LEU 123 1HD1 LEU 123 -6.125 6.465 -7.526 1050 HD12 LEU 123 2HD1 LEU 123 -4.670 5.575 -7.090 1051 HD13 LEU 123 3HD1 LEU 123 -5.447 6.626 -5.902 1052 HD21 LEU 123 1HD2 LEU 123 -5.585 4.533 -4.286 1053 HD22 LEU 123 2HD2 LEU 123 -4.820 3.556 -5.544 1054 HD23 LEU 123 3HD2 LEU 123 -6.379 3.073 -4.880 1055 H GLU 124 H GLU 124 -10.313 6.130 -3.377 1056 HA GLU 124 HA GLU 124 -11.301 8.578 -4.451 1057 HB2 GLU 124 2HB GLU 124 -12.137 7.230 -1.837 1058 HB3 GLU 124 3HB GLU 124 -13.045 8.467 -2.701 1059 HG2 GLU 124 2HG GLU 124 -12.534 5.616 -3.566 1060 HG3 GLU 124 3HG GLU 124 -14.070 6.330 -3.078 1061 H LYS 125 H LYS 125 -9.638 7.687 -1.450 1062 HA LYS 125 HA LYS 125 -9.618 10.202 -0.170 1063 HB2 LYS 125 2HB LYS 125 -7.540 7.990 0.113 1064 HB3 LYS 125 3HB LYS 125 -7.850 9.288 1.267 1065 HG2 LYS 125 2HG LYS 125 -10.136 8.370 1.629 1066 HG3 LYS 125 3HG LYS 125 -9.746 7.035 0.541 1067 HD2 LYS 125 2HD LYS 125 -7.919 6.341 2.084 1068 HD3 LYS 125 3HD LYS 125 -8.344 7.667 3.172 1069 HE2 LYS 125 2HE LYS 125 -10.159 5.345 2.424 1070 HE3 LYS 125 3HE LYS 125 -9.285 5.521 3.946 1071 HZ1 LYS 125 1HZ LYS 125 -11.583 6.194 4.173 1072 HZ2 LYS 125 2HZ LYS 125 -11.410 7.346 2.948 1073 HZ3 LYS 125 3HZ LYS 125 -10.567 7.524 4.403 1074 H VAL 126 H VAL 126 -7.432 8.716 -2.510 1075 HA VAL 126 HA VAL 126 -5.499 10.806 -2.606 1076 HB VAL 126 HB VAL 126 -6.283 8.796 -4.771 1077 HG11 VAL 126 1HG1 VAL 126 -4.080 9.291 -5.791 1078 HG12 VAL 126 2HG1 VAL 126 -3.810 10.557 -4.593 1079 HG13 VAL 126 3HG1 VAL 126 -5.119 10.716 -5.766 1080 HG21 VAL 126 1HG2 VAL 126 -5.484 7.688 -2.725 1081 HG22 VAL 126 2HG2 VAL 126 -4.029 8.688 -2.725 1082 HG23 VAL 126 3HG2 VAL 126 -4.292 7.514 -4.018 1083 H LEU 127 H LEU 127 -8.460 10.108 -4.487 1084 HA LEU 127 HA LEU 127 -8.316 12.348 -6.237 1085 HB2 LEU 127 2HB LEU 127 -10.614 10.520 -5.474 1086 HB3 LEU 127 3HB LEU 127 -10.796 11.812 -6.651 1087 HG LEU 127 HG LEU 127 -8.854 9.486 -6.938 1088 HD11 LEU 127 1HD1 LEU 127 -10.385 8.618 -8.641 1089 HD12 LEU 127 2HD1 LEU 127 -11.534 9.913 -8.286 1090 HD13 LEU 127 3HD1 LEU 127 -11.157 8.700 -7.058 1091 HD21 LEU 127 1HD2 LEU 127 -8.584 10.266 -9.254 1092 HD22 LEU 127 2HD2 LEU 127 -8.071 11.490 -8.097 1093 HD23 LEU 127 3HD2 LEU 127 -9.626 11.652 -8.919 1094 H GLU 128 H GLU 128 -9.224 12.164 -2.944 1095 HA GLU 128 HA GLU 128 -10.612 14.699 -2.840 1096 HB2 GLU 128 2HB GLU 128 -9.207 13.078 -0.672 1097 HB3 GLU 128 3HB GLU 128 -10.145 14.536 -0.367 1098 HG2 GLU 128 2HG GLU 128 -12.168 13.416 -1.196 1099 HG3 GLU 128 3HG GLU 128 -11.237 11.955 -1.512 1100 H HIS 129 H HIS 129 -7.770 14.397 -4.126 1101 HA HIS 129 HA HIS 129 -6.081 16.228 -2.740 1102 HB2 HIS 129 2HB HIS 129 -4.864 16.408 -5.003 1103 HB3 HIS 129 3HB HIS 129 -4.938 14.813 -4.277 1104 HD1 HIS 129 HD1 HIS 129 -7.334 16.594 -6.708 1105 HD2 HIS 129 HD2 HIS 129 -5.168 13.065 -6.341 1106 HE1 HIS 129 HE1 HIS 129 -7.911 15.219 -8.734 1107 HE2 HIS 129 HE2 HIS 129 -6.620 13.079 -8.457 1108 H HIS 130 H HIS 130 -7.887 17.698 -2.234 1109 HA HIS 130 HA HIS 130 -8.648 19.610 -4.296 1110 HB2 HIS 130 2HB HIS 130 -9.840 20.784 -2.399 1111 HB3 HIS 130 3HB HIS 130 -10.367 19.130 -2.673 1112 HD1 HIS 130 HD1 HIS 130 -9.855 17.387 -0.831 1113 HD2 HIS 130 HD2 HIS 130 -8.685 21.259 0.142 1114 HE1 HIS 130 HE1 HIS 130 -9.443 17.369 1.642 1115 HE2 HIS 130 HE2 HIS 130 -8.560 19.662 2.166 1116 H HIS 131 H HIS 131 -7.671 21.548 -4.649 1117 HA HIS 131 HA HIS 131 -4.972 21.802 -4.069 1118 HB2 HIS 131 2HB HIS 131 -5.189 24.170 -5.009 1119 HB3 HIS 131 3HB HIS 131 -5.742 22.865 -6.044 1120 HD1 HIS 131 HD1 HIS 131 -8.090 22.996 -6.906 1121 HD2 HIS 131 HD2 HIS 131 -7.378 25.769 -3.885 1122 HE1 HIS 131 HE1 HIS 131 -10.097 24.496 -6.873 1123 HE2 HIS 131 HE2 HIS 131 -9.654 26.156 -5.039 1124 H HIS 132 H HIS 132 -3.994 22.220 -2.258 1125 HA HIS 132 HA HIS 132 -4.830 24.412 -0.491 1126 HB2 HIS 132 2HB HIS 132 -5.798 22.333 0.497 1127 HB3 HIS 132 3HB HIS 132 -4.207 21.579 0.494 1128 HD1 HIS 132 HD1 HIS 132 -6.180 24.303 2.213 1129 HD2 HIS 132 HD2 HIS 132 -2.574 22.279 2.664 1130 HE1 HIS 132 HE1 HIS 132 -5.304 24.962 4.466 1131 HE2 HIS 132 HE2 HIS 132 -3.185 23.648 4.763 1132 H HIS 133 H HIS 133 -3.116 25.709 -0.496 1133 HA HIS 133 HA HIS 133 -0.447 24.977 -1.124 1134 HB2 HIS 133 2HB HIS 133 -1.499 27.485 0.262 1135 HB3 HIS 133 3HB HIS 133 0.142 27.293 -0.344 1136 HD1 HIS 133 HD1 HIS 133 -2.855 28.865 -1.266 1137 HD2 HIS 133 HD2 HIS 133 -0.068 26.579 -3.343 1138 HE1 HIS 133 HE1 HIS 133 -3.183 29.435 -3.686 1139 HE2 HIS 133 HE2 HIS 133 -1.594 27.929 -4.925 1140 H HIS 134 H HIS 134 1.282 24.456 0.168 1141 HA HIS 134 HA HIS 134 0.812 24.060 3.048 1142 HB2 HIS 134 2HB HIS 134 2.921 22.722 3.030 1143 HB3 HIS 134 3HB HIS 134 1.701 22.092 1.937 1144 HD1 HIS 134 HD1 HIS 134 2.152 22.557 -0.683 1145 HD2 HIS 134 HD2 HIS 134 5.367 23.185 1.873 1146 HE1 HIS 134 HE1 HIS 134 4.192 22.572 -2.145 1147 HE2 HIS 134 HE2 HIS 134 6.108 23.030 -0.592 Start of MODEL 19 1 H1 MET 1 1H MET 1 4.415 17.441 -0.107 2 H2 MET 1 2H MET 1 4.128 16.980 1.489 3 H3 MET 1 3H MET 1 3.088 18.072 0.731 4 HA MET 1 HA MET 1 2.099 15.901 0.882 5 HB2 MET 1 2HB MET 1 2.863 16.797 -1.927 6 HB3 MET 1 3HB MET 1 1.650 15.562 -1.610 7 HG2 MET 1 2HG MET 1 1.493 18.450 -0.708 8 HG3 MET 1 3HG MET 1 0.639 17.748 -2.080 9 HE1 MET 1 1HE MET 1 -1.246 15.803 -1.801 10 HE2 MET 1 2HE MET 1 -1.823 15.233 -0.239 11 HE3 MET 1 3HE MET 1 -0.197 14.816 -0.777 12 H GLY 2 H GLY 2 2.052 13.803 -0.570 13 HA2 GLY 2 2HA GLY 2 3.793 12.127 -1.481 14 HA3 GLY 2 3HA GLY 2 4.557 12.375 0.092 15 H THR 3 H THR 3 2.343 10.471 -1.572 16 HA THR 3 HA THR 3 0.997 9.557 0.905 17 HB THR 3 HB THR 3 -0.235 9.942 -1.869 18 HG1 THR 3 HG1 THR 3 0.054 11.596 0.257 19 HG21 THR 3 1HG2 THR 3 -2.380 9.370 -0.828 20 HG22 THR 3 2HG2 THR 3 -1.576 9.047 0.707 21 HG23 THR 3 3HG2 THR 3 -1.257 8.015 -0.690 22 H VAL 4 H VAL 4 1.617 7.507 1.287 23 HA VAL 4 HA VAL 4 2.672 5.836 -0.923 24 HB VAL 4 HB VAL 4 3.360 5.646 2.055 25 HG11 VAL 4 1HG1 VAL 4 3.720 3.548 0.827 26 HG12 VAL 4 2HG1 VAL 4 5.260 4.263 1.303 27 HG13 VAL 4 3HG1 VAL 4 4.707 4.395 -0.368 28 HG21 VAL 4 1HG2 VAL 4 4.948 7.022 -0.149 29 HG22 VAL 4 2HG2 VAL 4 5.498 6.772 1.511 30 HG23 VAL 4 3HG2 VAL 4 4.116 7.821 1.189 31 H VAL 5 H VAL 5 1.098 4.448 -1.516 32 HA VAL 5 HA VAL 5 -0.657 3.096 0.417 33 HB VAL 5 HB VAL 5 -0.672 2.976 -2.652 34 HG11 VAL 5 1HG1 VAL 5 -2.790 2.040 -0.676 35 HG12 VAL 5 2HG1 VAL 5 -1.747 1.003 -1.654 36 HG13 VAL 5 3HG1 VAL 5 -2.946 2.035 -2.436 37 HG21 VAL 5 1HG2 VAL 5 -2.421 4.669 -0.823 38 HG22 VAL 5 2HG2 VAL 5 -2.586 4.536 -2.576 39 HG23 VAL 5 3HG2 VAL 5 -1.138 5.266 -1.881 40 H ILE 6 H ILE 6 0.062 1.176 1.238 41 HA ILE 6 HA ILE 6 2.081 -0.412 -0.235 42 HB ILE 6 HB ILE 6 1.340 -0.449 2.734 43 HG12 ILE 6 2HG1 ILE 6 2.563 1.585 2.178 44 HG13 ILE 6 3HG1 ILE 6 3.662 0.504 3.029 45 HG21 ILE 6 1HG2 ILE 6 3.517 -2.028 1.292 46 HG22 ILE 6 2HG2 ILE 6 2.064 -2.694 2.042 47 HG23 ILE 6 3HG2 ILE 6 3.302 -1.938 3.043 48 HD11 ILE 6 1HD1 ILE 6 4.653 -0.156 0.859 49 HD12 ILE 6 2HD1 ILE 6 4.789 1.572 1.183 50 HD13 ILE 6 3HD1 ILE 6 3.576 0.987 0.048 51 H VAL 7 H VAL 7 1.082 -1.820 -1.482 52 HA VAL 7 HA VAL 7 -1.234 -3.388 -0.542 53 HB VAL 7 HB VAL 7 -0.064 -3.041 -3.352 54 HG11 VAL 7 1HG1 VAL 7 -2.563 -4.554 -2.504 55 HG12 VAL 7 2HG1 VAL 7 -1.070 -5.274 -3.111 56 HG13 VAL 7 3HG1 VAL 7 -2.051 -4.257 -4.167 57 HG21 VAL 7 1HG2 VAL 7 -1.181 -1.013 -2.524 58 HG22 VAL 7 2HG2 VAL 7 -2.631 -1.948 -2.144 59 HG23 VAL 7 3HG2 VAL 7 -2.118 -1.758 -3.823 60 H VAL 8 H VAL 8 -0.556 -5.107 0.522 61 HA VAL 8 HA VAL 8 1.660 -6.809 -0.457 62 HB VAL 8 HB VAL 8 0.291 -6.670 2.290 63 HG11 VAL 8 1HG1 VAL 8 2.011 -8.275 3.069 64 HG12 VAL 8 2HG1 VAL 8 2.589 -8.446 1.412 65 HG13 VAL 8 3HG1 VAL 8 0.960 -8.973 1.832 66 HG21 VAL 8 1HG2 VAL 8 2.449 -5.809 3.135 67 HG22 VAL 8 2HG2 VAL 8 1.771 -4.745 1.902 68 HG23 VAL 8 3HG2 VAL 8 3.104 -5.828 1.495 69 H SER 9 H SER 9 0.781 -8.374 -1.803 70 HA SER 9 HA SER 9 -1.723 -9.718 -0.931 71 HB2 SER 9 2HB SER 9 -0.903 -9.189 -3.814 72 HB3 SER 9 3HB SER 9 -2.356 -10.033 -3.278 73 HG SER 9 HG SER 9 -2.052 -7.543 -2.168 74 H ARG 10 H ARG 10 -1.895 -11.932 -1.463 75 HA ARG 10 HA ARG 10 0.419 -13.420 -0.850 76 HB2 ARG 10 2HB ARG 10 -1.899 -14.089 -0.249 77 HB3 ARG 10 3HB ARG 10 -2.256 -14.400 -1.945 78 HG2 ARG 10 2HG ARG 10 -0.648 -16.244 -1.981 79 HG3 ARG 10 3HG ARG 10 -0.150 -15.881 -0.326 80 HD2 ARG 10 2HD ARG 10 -2.424 -16.429 0.477 81 HD3 ARG 10 3HD ARG 10 -2.919 -16.785 -1.177 82 HE ARG 10 HE ARG 10 -1.464 -18.696 -1.167 83 HH11 ARG 10 1HH1 ARG 10 -1.931 -17.261 2.024 84 HH12 ARG 10 2HH1 ARG 10 -1.483 -18.710 2.860 85 HH21 ARG 10 1HH2 ARG 10 -0.870 -20.584 -0.025 86 HH22 ARG 10 2HH2 ARG 10 -0.890 -20.568 1.713 87 H ASP 11 H ASP 11 -1.207 -12.764 -3.890 88 HA ASP 11 HA ASP 11 0.891 -14.232 -5.369 89 HB2 ASP 11 2HB ASP 11 -1.547 -15.326 -5.134 90 HB3 ASP 11 3HB ASP 11 -1.971 -14.182 -6.398 91 H GLU 12 H GLU 12 1.391 -13.381 -7.415 92 HA GLU 12 HA GLU 12 1.124 -10.526 -7.665 93 HB2 GLU 12 2HB GLU 12 2.503 -12.580 -9.423 94 HB3 GLU 12 3HB GLU 12 2.505 -10.848 -9.769 95 HG2 GLU 12 2HG GLU 12 3.641 -10.398 -7.637 96 HG3 GLU 12 3HG GLU 12 3.584 -12.112 -7.240 97 H ARG 13 H ARG 13 -0.648 -13.220 -8.879 98 HA ARG 13 HA ARG 13 -1.947 -11.987 -11.074 99 HB2 ARG 13 2HB ARG 13 -2.965 -14.131 -9.170 100 HB3 ARG 13 3HB ARG 13 -3.773 -13.660 -10.663 101 HG2 ARG 13 2HG ARG 13 -1.840 -14.438 -11.970 102 HG3 ARG 13 3HG ARG 13 -1.005 -14.882 -10.478 103 HD2 ARG 13 2HD ARG 13 -2.934 -16.438 -9.968 104 HD3 ARG 13 3HD ARG 13 -3.555 -16.094 -11.588 105 HE ARG 13 HE ARG 13 -0.842 -16.982 -11.654 106 HH11 ARG 13 1HH1 ARG 13 -4.144 -18.148 -11.371 107 HH12 ARG 13 2HH1 ARG 13 -3.775 -19.737 -11.968 108 HH21 ARG 13 1HH2 ARG 13 -0.343 -19.101 -12.387 109 HH22 ARG 13 2HH2 ARG 13 -1.616 -20.275 -12.542 110 H ILE 14 H ILE 14 -2.531 -11.891 -7.572 111 HA ILE 14 HA ILE 14 -4.922 -10.309 -7.686 112 HB ILE 14 HB ILE 14 -2.924 -10.495 -5.367 113 HG12 ILE 14 2HG1 ILE 14 -5.442 -12.172 -5.795 114 HG13 ILE 14 3HG1 ILE 14 -3.800 -12.751 -6.047 115 HG21 ILE 14 1HG2 ILE 14 -4.465 -8.577 -5.156 116 HG22 ILE 14 2HG2 ILE 14 -4.842 -9.799 -3.943 117 HG23 ILE 14 3HG2 ILE 14 -5.853 -9.645 -5.382 118 HD11 ILE 14 1HD1 ILE 14 -4.708 -13.492 -3.913 119 HD12 ILE 14 2HD1 ILE 14 -4.935 -11.818 -3.408 120 HD13 ILE 14 3HD1 ILE 14 -3.308 -12.447 -3.683 121 H LEU 15 H LEU 15 -1.442 -9.600 -7.266 122 HA LEU 15 HA LEU 15 -1.550 -6.839 -6.827 123 HB2 LEU 15 2HB LEU 15 0.645 -8.498 -8.126 124 HB3 LEU 15 3HB LEU 15 0.847 -6.816 -7.668 125 HG LEU 15 HG LEU 15 0.321 -9.113 -5.731 126 HD11 LEU 15 1HD1 LEU 15 2.575 -9.207 -6.700 127 HD12 LEU 15 2HD1 LEU 15 2.639 -8.773 -4.995 128 HD13 LEU 15 3HD1 LEU 15 2.868 -7.530 -6.229 129 HD21 LEU 15 1HD2 LEU 15 -0.659 -7.038 -4.887 130 HD22 LEU 15 2HD2 LEU 15 0.855 -6.177 -5.158 131 HD23 LEU 15 3HD2 LEU 15 0.772 -7.460 -3.949 132 H GLU 16 H GLU 16 -1.454 -8.615 -9.920 133 HA GLU 16 HA GLU 16 -1.084 -6.273 -11.562 134 HB2 GLU 16 2HB GLU 16 -1.349 -7.785 -13.474 135 HB3 GLU 16 3HB GLU 16 -0.268 -8.496 -12.281 136 HG2 GLU 16 2HG GLU 16 -2.113 -9.929 -11.472 137 HG3 GLU 16 3HG GLU 16 -3.180 -9.230 -12.686 138 H GLU 17 H GLU 17 -3.866 -8.066 -10.383 139 HA GLU 17 HA GLU 17 -5.863 -6.793 -11.988 140 HB2 GLU 17 2HB GLU 17 -5.988 -8.165 -9.274 141 HB3 GLU 17 3HB GLU 17 -7.416 -7.557 -10.099 142 HG2 GLU 17 2HG GLU 17 -5.556 -9.629 -11.295 143 HG3 GLU 17 3HG GLU 17 -6.972 -10.034 -10.331 144 H LEU 18 H LEU 18 -4.562 -6.190 -8.722 145 HA LEU 18 HA LEU 18 -6.104 -3.879 -8.116 146 HB2 LEU 18 2HB LEU 18 -3.452 -4.841 -6.949 147 HB3 LEU 18 3HB LEU 18 -4.451 -3.572 -6.252 148 HG LEU 18 HG LEU 18 -5.208 -6.510 -6.512 149 HD11 LEU 18 1HD1 LEU 18 -4.638 -4.859 -4.032 150 HD12 LEU 18 2HD1 LEU 18 -3.603 -6.116 -4.714 151 HD13 LEU 18 3HD1 LEU 18 -5.181 -6.541 -4.059 152 HD21 LEU 18 1HD2 LEU 18 -6.847 -4.240 -5.360 153 HD22 LEU 18 2HD2 LEU 18 -7.269 -5.954 -5.315 154 HD23 LEU 18 3HD2 LEU 18 -7.178 -5.113 -6.859 155 H LEU 19 H LEU 19 -3.116 -4.403 -9.817 156 HA LEU 19 HA LEU 19 -2.009 -1.851 -9.972 157 HB2 LEU 19 2HB LEU 19 -0.850 -3.847 -10.797 158 HB3 LEU 19 3HB LEU 19 -2.076 -4.087 -12.030 159 HG LEU 19 HG LEU 19 -1.336 -1.898 -13.089 160 HD11 LEU 19 1HD1 LEU 19 0.871 -0.996 -12.492 161 HD12 LEU 19 2HD1 LEU 19 0.947 -2.092 -11.110 162 HD13 LEU 19 3HD1 LEU 19 -0.292 -0.836 -11.178 163 HD21 LEU 19 1HD2 LEU 19 0.667 -2.833 -14.150 164 HD22 LEU 19 2HD2 LEU 19 -0.612 -4.037 -14.009 165 HD23 LEU 19 3HD2 LEU 19 0.762 -4.078 -12.900 166 H GLU 20 H GLU 20 -4.348 -3.447 -12.150 167 HA GLU 20 HA GLU 20 -4.735 -1.234 -13.870 168 HB2 GLU 20 2HB GLU 20 -6.563 -3.628 -13.391 169 HB3 GLU 20 3HB GLU 20 -6.711 -2.485 -14.726 170 HG2 GLU 20 2HG GLU 20 -4.372 -3.157 -15.449 171 HG3 GLU 20 3HG GLU 20 -4.434 -4.430 -14.227 172 H VAL 21 H VAL 21 -6.242 -2.148 -10.825 173 HA VAL 21 HA VAL 21 -8.517 -0.426 -10.986 174 HB VAL 21 HB VAL 21 -7.195 -1.618 -8.502 175 HG11 VAL 21 1HG1 VAL 21 -8.672 0.255 -7.897 176 HG12 VAL 21 2HG1 VAL 21 -9.373 -1.279 -7.385 177 HG13 VAL 21 3HG1 VAL 21 -9.996 -0.464 -8.823 178 HG21 VAL 21 1HG2 VAL 21 -9.545 -2.673 -10.123 179 HG22 VAL 21 2HG2 VAL 21 -8.884 -3.395 -8.652 180 HG23 VAL 21 3HG2 VAL 21 -7.914 -3.344 -10.122 181 H VAL 22 H VAL 22 -5.208 0.005 -9.715 182 HA VAL 22 HA VAL 22 -5.396 2.612 -8.654 183 HB VAL 22 HB VAL 22 -3.051 1.448 -10.250 184 HG11 VAL 22 1HG1 VAL 22 -1.630 3.081 -9.049 185 HG12 VAL 22 2HG1 VAL 22 -3.064 3.769 -8.284 186 HG13 VAL 22 3HG1 VAL 22 -2.856 3.889 -10.032 187 HG21 VAL 22 1HG2 VAL 22 -3.607 0.011 -8.349 188 HG22 VAL 22 2HG2 VAL 22 -3.525 1.391 -7.254 189 HG23 VAL 22 3HG2 VAL 22 -2.066 0.827 -8.076 190 H LEU 23 H LEU 23 -4.864 1.444 -11.945 191 HA LEU 23 HA LEU 23 -4.486 4.001 -13.165 192 HB2 LEU 23 2HB LEU 23 -5.195 1.411 -14.589 193 HB3 LEU 23 3HB LEU 23 -4.346 2.797 -15.256 194 HG LEU 23 HG LEU 23 -3.269 0.809 -13.222 195 HD11 LEU 23 1HD1 LEU 23 -2.428 1.306 -16.085 196 HD12 LEU 23 2HD1 LEU 23 -3.321 -0.090 -15.475 197 HD13 LEU 23 3HD1 LEU 23 -1.660 0.184 -14.957 198 HD21 LEU 23 1HD2 LEU 23 -2.375 3.006 -12.653 199 HD22 LEU 23 2HD2 LEU 23 -1.836 3.247 -14.317 200 HD23 LEU 23 3HD2 LEU 23 -1.111 1.974 -13.327 201 H LYS 24 H LYS 24 -7.310 1.944 -12.578 202 HA LYS 24 HA LYS 24 -9.200 3.159 -14.299 203 HB2 LYS 24 2HB LYS 24 -9.681 1.924 -11.538 204 HB3 LYS 24 3HB LYS 24 -10.951 2.344 -12.677 205 HG2 LYS 24 2HG LYS 24 -8.854 0.195 -13.012 206 HG3 LYS 24 3HG LYS 24 -10.569 -0.040 -12.692 207 HD2 LYS 24 2HD LYS 24 -11.096 0.946 -14.924 208 HD3 LYS 24 3HD LYS 24 -9.363 1.120 -15.235 209 HE2 LYS 24 2HE LYS 24 -9.089 -1.340 -15.028 210 HE3 LYS 24 3HE LYS 24 -10.825 -1.503 -14.749 211 HZ1 LYS 24 1HZ LYS 24 -10.227 -1.977 -17.038 212 HZ2 LYS 24 2HZ LYS 24 -9.567 -0.437 -17.223 213 HZ3 LYS 24 3HZ LYS 24 -11.226 -0.617 -16.961 214 H SER 25 H SER 25 -7.984 4.027 -11.109 215 HA SER 25 HA SER 25 -9.784 6.255 -10.723 216 HB2 SER 25 2HB SER 25 -8.892 4.936 -8.793 217 HB3 SER 25 3HB SER 25 -7.260 5.494 -9.166 218 HG SER 25 HG SER 25 -7.906 7.601 -8.677 219 H ASP 26 H ASP 26 -6.189 6.189 -10.767 220 HA ASP 26 HA ASP 26 -6.138 8.651 -12.403 221 HB2 ASP 26 2HB ASP 26 -4.940 8.279 -9.637 222 HB3 ASP 26 3HB ASP 26 -4.192 9.394 -10.774 223 HA PRO 27 HA PRO 27 -2.553 6.430 -14.258 224 HB2 PRO 27 2HB PRO 27 -2.016 8.303 -16.193 225 HB3 PRO 27 3HB PRO 27 -3.359 7.151 -16.339 226 HG2 PRO 27 2HG PRO 27 -3.442 10.011 -15.416 227 HG3 PRO 27 3HG PRO 27 -4.502 9.181 -16.579 228 HD2 PRO 27 2HD PRO 27 -5.246 9.569 -14.001 229 HD3 PRO 27 3HD PRO 27 -5.729 8.112 -14.904 230 H ASN 28 H ASN 28 -2.806 9.537 -12.766 231 HA ASN 28 HA ASN 28 -0.172 10.541 -13.019 232 HB2 ASN 28 2HB ASN 28 -2.254 11.113 -10.855 233 HB3 ASN 28 3HB ASN 28 -0.803 12.069 -11.139 234 HD21 ASN 28 1HD2 ASN 28 -4.003 11.352 -12.230 235 HD22 ASN 28 2HD2 ASN 28 -4.097 12.594 -13.425 236 H VAL 29 H VAL 29 -1.528 8.153 -10.954 237 HA VAL 29 HA VAL 29 0.328 8.272 -8.779 238 HB VAL 29 HB VAL 29 -1.407 5.906 -9.653 239 HG11 VAL 29 1HG1 VAL 29 -0.278 6.603 -6.915 240 HG12 VAL 29 2HG1 VAL 29 0.297 5.314 -7.974 241 HG13 VAL 29 3HG1 VAL 29 -1.325 5.230 -7.286 242 HG21 VAL 29 1HG2 VAL 29 -2.188 8.162 -7.779 243 HG22 VAL 29 2HG2 VAL 29 -3.167 6.752 -8.179 244 HG23 VAL 29 3HG2 VAL 29 -2.785 7.943 -9.422 245 H LYS 30 H LYS 30 2.288 7.284 -8.598 246 HA LYS 30 HA LYS 30 3.434 5.749 -10.804 247 HB2 LYS 30 2HB LYS 30 4.869 7.347 -9.631 248 HB3 LYS 30 3HB LYS 30 4.552 6.577 -8.084 249 HG2 LYS 30 2HG LYS 30 6.792 6.028 -8.933 250 HG3 LYS 30 3HG LYS 30 5.790 4.582 -8.793 251 HD2 LYS 30 2HD LYS 30 5.341 4.720 -11.262 252 HD3 LYS 30 3HD LYS 30 6.453 6.089 -11.356 253 HE2 LYS 30 2HE LYS 30 8.307 4.665 -10.619 254 HE3 LYS 30 3HE LYS 30 7.202 3.305 -10.398 255 HZ1 LYS 30 1HZ LYS 30 8.405 3.131 -12.472 256 HZ2 LYS 30 2HZ LYS 30 7.813 4.626 -12.990 257 HZ3 LYS 30 3HZ LYS 30 6.754 3.326 -12.772 258 H THR 31 H THR 31 3.743 3.515 -10.796 259 HA THR 31 HA THR 31 2.947 1.988 -8.377 260 HB THR 31 HB THR 31 2.172 0.174 -9.898 261 HG1 THR 31 HG1 THR 31 2.117 1.846 -12.129 262 HG21 THR 31 1HG2 THR 31 0.489 1.813 -9.090 263 HG22 THR 31 2HG2 THR 31 0.089 1.222 -10.702 264 HG23 THR 31 3HG2 THR 31 0.796 2.826 -10.505 265 H VAL 32 H VAL 32 4.364 0.474 -7.678 266 HA VAL 32 HA VAL 32 6.692 -0.344 -9.316 267 HB VAL 32 HB VAL 32 6.905 0.654 -6.421 268 HG11 VAL 32 1HG1 VAL 32 9.348 0.334 -6.641 269 HG12 VAL 32 2HG1 VAL 32 9.114 -0.365 -8.245 270 HG13 VAL 32 3HG1 VAL 32 8.473 -1.190 -6.823 271 HG21 VAL 32 1HG2 VAL 32 6.655 2.544 -7.973 272 HG22 VAL 32 2HG2 VAL 32 8.010 1.952 -8.935 273 HG23 VAL 32 3HG2 VAL 32 8.279 2.508 -7.281 274 H ARG 33 H ARG 33 6.597 -2.554 -9.367 275 HA ARG 33 HA ARG 33 5.412 -3.991 -7.058 276 HB2 ARG 33 2HB ARG 33 4.242 -4.514 -9.137 277 HB3 ARG 33 3HB ARG 33 5.754 -4.907 -9.949 278 HG2 ARG 33 2HG ARG 33 6.035 -6.920 -8.671 279 HG3 ARG 33 3HG ARG 33 4.767 -6.458 -7.534 280 HD2 ARG 33 2HD ARG 33 4.132 -8.247 -9.208 281 HD3 ARG 33 3HD ARG 33 3.045 -6.858 -9.137 282 HE ARG 33 HE ARG 33 4.378 -6.044 -11.166 283 HH11 ARG 33 1HH1 ARG 33 3.810 -9.466 -10.551 284 HH12 ARG 33 2HH1 ARG 33 3.879 -9.898 -12.228 285 HH21 ARG 33 1HH2 ARG 33 4.444 -6.608 -13.341 286 HH22 ARG 33 2HH2 ARG 33 4.242 -8.266 -13.822 287 H THR 34 H THR 34 7.148 -3.945 -5.759 288 HA THR 34 HA THR 34 9.593 -5.425 -6.547 289 HB THR 34 HB THR 34 10.039 -2.988 -6.223 290 HG1 THR 34 HG1 THR 34 11.737 -4.323 -5.702 291 HG21 THR 34 1HG2 THR 34 8.288 -2.437 -4.570 292 HG22 THR 34 2HG2 THR 34 9.882 -1.951 -3.991 293 HG23 THR 34 3HG2 THR 34 9.120 -3.408 -3.351 294 H ASP 35 H ASP 35 10.684 -6.314 -4.510 295 HA ASP 35 HA ASP 35 8.756 -7.067 -2.390 296 HB2 ASP 35 2HB ASP 35 11.057 -8.756 -3.465 297 HB3 ASP 35 3HB ASP 35 10.042 -9.188 -2.089 298 H ASP 36 H ASP 36 11.514 -5.355 -3.179 299 HA ASP 36 HA ASP 36 12.971 -5.700 -0.683 300 HB2 ASP 36 2HB ASP 36 13.431 -3.820 -3.049 301 HB3 ASP 36 3HB ASP 36 14.484 -3.917 -1.638 302 H LYS 37 H LYS 37 12.301 -4.711 1.087 303 HA LYS 37 HA LYS 37 10.595 -2.468 1.321 304 HB2 LYS 37 2HB LYS 37 11.231 -2.489 3.723 305 HB3 LYS 37 3HB LYS 37 10.857 -4.103 3.135 306 HG2 LYS 37 2HG LYS 37 13.315 -4.565 2.941 307 HG3 LYS 37 3HG LYS 37 13.632 -2.983 3.662 308 HD2 LYS 37 2HD LYS 37 12.413 -3.687 5.717 309 HD3 LYS 37 3HD LYS 37 12.115 -5.270 4.999 310 HE2 LYS 37 2HE LYS 37 14.534 -5.718 4.955 311 HE3 LYS 37 3HE LYS 37 14.857 -4.113 5.614 312 HZ1 LYS 37 1HZ LYS 37 13.443 -6.344 6.977 313 HZ2 LYS 37 2HZ LYS 37 13.561 -4.776 7.599 314 HZ3 LYS 37 3HZ LYS 37 14.958 -5.700 7.372 315 H GLU 38 H GLU 38 13.984 -2.778 0.793 316 HA GLU 38 HA GLU 38 14.916 -0.179 1.491 317 HB2 GLU 38 2HB GLU 38 15.992 -2.116 -0.612 318 HB3 GLU 38 3HB GLU 38 16.874 -0.764 0.095 319 HG2 GLU 38 2HG GLU 38 16.876 -1.851 2.276 320 HG3 GLU 38 3HG GLU 38 15.883 -3.169 1.650 321 H LYS 39 H LYS 39 13.942 -1.682 -1.591 322 HA LYS 39 HA LYS 39 14.391 0.495 -3.279 323 HB2 LYS 39 2HB LYS 39 14.114 -1.863 -4.070 324 HB3 LYS 39 3HB LYS 39 12.399 -1.784 -3.684 325 HG2 LYS 39 2HG LYS 39 12.822 -1.498 -6.110 326 HG3 LYS 39 3HG LYS 39 12.056 -0.067 -5.411 327 HD2 LYS 39 2HD LYS 39 14.303 1.026 -5.275 328 HD3 LYS 39 3HD LYS 39 15.021 -0.388 -6.043 329 HE2 LYS 39 2HE LYS 39 13.787 0.053 -8.096 330 HE3 LYS 39 3HE LYS 39 12.907 1.378 -7.324 331 HZ1 LYS 39 1HZ LYS 39 15.046 2.517 -7.012 332 HZ2 LYS 39 2HZ LYS 39 14.694 2.251 -8.640 333 HZ3 LYS 39 3HZ LYS 39 15.830 1.279 -7.853 334 H VAL 40 H VAL 40 11.518 -0.473 -1.456 335 HA VAL 40 HA VAL 40 9.653 1.318 -2.492 336 HB VAL 40 HB VAL 40 9.806 0.373 0.407 337 HG11 VAL 40 1HG1 VAL 40 7.476 1.436 -1.234 338 HG12 VAL 40 2HG1 VAL 40 8.227 2.216 0.157 339 HG13 VAL 40 3HG1 VAL 40 7.323 0.715 0.368 340 HG21 VAL 40 1HG2 VAL 40 9.854 -1.544 -1.132 341 HG22 VAL 40 2HG2 VAL 40 8.424 -0.938 -1.961 342 HG23 VAL 40 3HG2 VAL 40 8.311 -1.472 -0.283 343 H LYS 41 H LYS 41 11.952 1.763 0.236 344 HA LYS 41 HA LYS 41 11.067 4.322 1.063 345 HB2 LYS 41 2HB LYS 41 13.836 3.083 1.372 346 HB3 LYS 41 3HB LYS 41 13.270 4.518 2.226 347 HG2 LYS 41 2HG LYS 41 11.497 3.152 3.308 348 HG3 LYS 41 3HG LYS 41 12.139 1.718 2.499 349 HD2 LYS 41 2HD LYS 41 14.340 2.122 3.654 350 HD3 LYS 41 3HD LYS 41 13.590 3.456 4.535 351 HE2 LYS 41 2HE LYS 41 13.641 1.495 5.955 352 HE3 LYS 41 3HE LYS 41 11.963 1.824 5.522 353 HZ1 LYS 41 1HZ LYS 41 13.726 -0.219 4.269 354 HZ2 LYS 41 2HZ LYS 41 12.119 0.084 3.836 355 HZ3 LYS 41 3HZ LYS 41 12.484 -0.522 5.374 356 H GLU 42 H GLU 42 13.360 3.337 -1.401 357 HA GLU 42 HA GLU 42 14.450 5.914 -2.019 358 HB2 GLU 42 2HB GLU 42 14.238 3.415 -3.750 359 HB3 GLU 42 3HB GLU 42 15.268 4.807 -4.090 360 HG2 GLU 42 2HG GLU 42 16.558 4.367 -2.042 361 HG3 GLU 42 3HG GLU 42 15.522 2.988 -1.672 362 H GLU 43 H GLU 43 11.772 3.968 -3.293 363 HA GLU 43 HA GLU 43 10.962 5.799 -5.344 364 HB2 GLU 43 2HB GLU 43 9.471 3.472 -4.045 365 HB3 GLU 43 3HB GLU 43 8.900 4.353 -5.454 366 HG2 GLU 43 2HG GLU 43 11.404 2.661 -5.293 367 HG3 GLU 43 3HG GLU 43 9.902 2.235 -6.107 368 H ILE 44 H ILE 44 10.235 5.465 -1.943 369 HA ILE 44 HA ILE 44 7.888 7.037 -1.733 370 HB ILE 44 HB ILE 44 10.064 6.278 0.272 371 HG12 ILE 44 2HG1 ILE 44 7.104 5.533 0.130 372 HG13 ILE 44 3HG1 ILE 44 8.436 4.506 -0.378 373 HG21 ILE 44 1HG2 ILE 44 8.758 7.280 2.110 374 HG22 ILE 44 2HG2 ILE 44 7.648 7.986 0.936 375 HG23 ILE 44 3HG2 ILE 44 9.333 8.507 0.976 376 HD11 ILE 44 1HD1 ILE 44 7.834 5.400 2.444 377 HD12 ILE 44 2HD1 ILE 44 9.231 4.436 1.961 378 HD13 ILE 44 3HD1 ILE 44 7.604 3.788 1.762 379 H GLU 45 H GLU 45 11.356 7.812 -1.322 380 HA GLU 45 HA GLU 45 11.175 10.552 -0.819 381 HB2 GLU 45 2HB GLU 45 13.357 8.839 -2.051 382 HB3 GLU 45 3HB GLU 45 13.584 10.570 -1.842 383 HG2 GLU 45 2HG GLU 45 12.933 8.664 0.416 384 HG3 GLU 45 3HG GLU 45 14.565 9.164 -0.024 385 H LYS 46 H LYS 46 11.403 8.845 -3.926 386 HA LYS 46 HA LYS 46 11.649 11.079 -5.639 387 HB2 LYS 46 2HB LYS 46 10.508 8.299 -6.142 388 HB3 LYS 46 3HB LYS 46 10.864 9.461 -7.417 389 HG2 LYS 46 2HG LYS 46 13.228 9.344 -6.999 390 HG3 LYS 46 3HG LYS 46 12.981 8.467 -5.487 391 HD2 LYS 46 2HD LYS 46 13.773 6.946 -7.259 392 HD3 LYS 46 3HD LYS 46 12.148 6.510 -6.728 393 HE2 LYS 46 2HE LYS 46 11.233 7.710 -8.733 394 HE3 LYS 46 3HE LYS 46 12.888 7.995 -9.272 395 HZ1 LYS 46 1HZ LYS 46 11.927 6.076 -10.359 396 HZ2 LYS 46 2HZ LYS 46 11.632 5.326 -8.872 397 HZ3 LYS 46 3HZ LYS 46 13.217 5.603 -9.381 398 H ALA 47 H ALA 47 8.763 9.172 -4.684 399 HA ALA 47 HA ALA 47 6.851 10.790 -6.081 400 HB1 ALA 47 1HB ALA 47 6.415 8.778 -3.846 401 HB2 ALA 47 2HB ALA 47 6.452 8.418 -5.572 402 HB3 ALA 47 3HB ALA 47 5.165 9.429 -4.918 403 H ARG 48 H ARG 48 8.303 10.990 -2.941 404 HA ARG 48 HA ARG 48 6.489 12.824 -1.686 405 HB2 ARG 48 2HB ARG 48 8.051 11.385 -0.416 406 HB3 ARG 48 3HB ARG 48 9.430 12.178 -1.162 407 HG2 ARG 48 2HG ARG 48 8.814 14.288 0.009 408 HG3 ARG 48 3HG ARG 48 7.467 13.446 0.783 409 HD2 ARG 48 2HD ARG 48 9.027 11.920 1.908 410 HD3 ARG 48 3HD ARG 48 10.392 12.648 1.060 411 HE ARG 48 HE ARG 48 8.797 14.411 2.750 412 HH11 ARG 48 1HH1 ARG 48 11.714 12.464 2.483 413 HH12 ARG 48 2HH1 ARG 48 12.508 13.266 3.800 414 HH21 ARG 48 1HH2 ARG 48 9.828 15.422 4.502 415 HH22 ARG 48 2HH2 ARG 48 11.438 14.942 4.949 416 H LYS 49 H LYS 49 9.451 13.105 -3.623 417 HA LYS 49 HA LYS 49 9.640 15.962 -3.611 418 HB2 LYS 49 2HB LYS 49 10.783 13.859 -5.497 419 HB3 LYS 49 3HB LYS 49 11.110 15.579 -5.677 420 HG2 LYS 49 2HG LYS 49 12.166 15.613 -3.432 421 HG3 LYS 49 3HG LYS 49 11.852 13.885 -3.266 422 HD2 LYS 49 2HD LYS 49 14.192 14.308 -3.933 423 HD3 LYS 49 3HD LYS 49 13.328 13.406 -5.177 424 HE2 LYS 49 2HE LYS 49 14.768 15.142 -6.160 425 HE3 LYS 49 3HE LYS 49 13.069 15.473 -6.501 426 HZ1 LYS 49 1HZ LYS 49 14.758 16.787 -4.440 427 HZ2 LYS 49 2HZ LYS 49 13.100 17.060 -4.626 428 HZ3 LYS 49 3HZ LYS 49 14.170 17.490 -5.860 429 H GLN 50 H GLN 50 7.921 13.621 -5.609 430 HA GLN 50 HA GLN 50 6.982 15.533 -7.571 431 HB2 GLN 50 2HB GLN 50 5.875 12.763 -6.928 432 HB3 GLN 50 3HB GLN 50 5.537 13.706 -8.370 433 HG2 GLN 50 2HG GLN 50 8.147 12.391 -7.614 434 HG3 GLN 50 3HG GLN 50 7.064 11.942 -8.929 435 HE21 GLN 50 1HE2 GLN 50 9.485 14.181 -7.849 436 HE22 GLN 50 2HE2 GLN 50 9.747 14.938 -9.373 437 H GLY 51 H GLY 51 5.941 14.357 -4.455 438 HA2 GLY 51 2HA GLY 51 4.263 15.026 -3.038 439 HA3 GLY 51 3HA GLY 51 3.777 16.235 -4.213 440 H ARG 52 H ARG 52 3.899 13.211 -5.683 441 HA ARG 52 HA ARG 52 0.964 13.102 -5.773 442 HB2 ARG 52 2HB ARG 52 1.243 11.754 -7.800 443 HB3 ARG 52 3HB ARG 52 2.192 13.228 -7.925 444 HG2 ARG 52 2HG ARG 52 4.253 11.959 -7.404 445 HG3 ARG 52 3HG ARG 52 3.307 10.474 -7.269 446 HD2 ARG 52 2HD ARG 52 2.643 10.707 -9.652 447 HD3 ARG 52 3HD ARG 52 3.619 12.173 -9.771 448 HE ARG 52 HE ARG 52 5.474 10.426 -8.986 449 HH11 ARG 52 1HH1 ARG 52 3.009 10.101 -11.485 450 HH12 ARG 52 2HH1 ARG 52 3.967 9.027 -12.456 451 HH21 ARG 52 1HH2 ARG 52 6.708 9.008 -10.250 452 HH22 ARG 52 2HH2 ARG 52 6.077 8.404 -11.755 453 HA PRO 53 HA PRO 53 0.768 9.189 -3.521 454 HB2 PRO 53 2HB PRO 53 -1.275 7.877 -4.879 455 HB3 PRO 53 3HB PRO 53 -1.547 9.157 -3.679 456 HG2 PRO 53 2HG PRO 53 -1.516 9.367 -6.668 457 HG3 PRO 53 3HG PRO 53 -2.632 10.107 -5.498 458 HD2 PRO 53 2HD PRO 53 -0.613 11.522 -6.613 459 HD3 PRO 53 3HD PRO 53 -1.135 11.802 -4.937 460 H ILE 54 H ILE 54 1.394 7.037 -3.689 461 HA ILE 54 HA ILE 54 2.255 5.917 -6.256 462 HB ILE 54 HB ILE 54 4.281 7.028 -5.365 463 HG12 ILE 54 2HG1 ILE 54 4.511 4.001 -5.040 464 HG13 ILE 54 3HG1 ILE 54 4.515 4.845 -6.582 465 HG21 ILE 54 1HG2 ILE 54 3.727 7.082 -2.968 466 HG22 ILE 54 2HG2 ILE 54 5.329 6.386 -3.224 467 HG23 ILE 54 3HG2 ILE 54 3.960 5.335 -2.862 468 HD11 ILE 54 1HD1 ILE 54 6.599 5.094 -4.413 469 HD12 ILE 54 2HD1 ILE 54 6.596 5.978 -5.941 470 HD13 ILE 54 3HD1 ILE 54 6.750 4.222 -5.939 471 H VAL 55 H VAL 55 1.989 3.690 -6.297 472 HA VAL 55 HA VAL 55 0.981 2.360 -3.851 473 HB VAL 55 HB VAL 55 0.105 1.796 -6.735 474 HG11 VAL 55 1HG1 VAL 55 0.078 -0.230 -5.342 475 HG12 VAL 55 2HG1 VAL 55 -1.567 0.291 -5.704 476 HG13 VAL 55 3HG1 VAL 55 -0.875 0.606 -4.111 477 HG21 VAL 55 1HG2 VAL 55 -2.090 2.710 -6.088 478 HG22 VAL 55 2HG2 VAL 55 -0.831 3.932 -5.912 479 HG23 VAL 55 3HG2 VAL 55 -1.469 3.114 -4.487 480 H ILE 56 H ILE 56 2.216 0.744 -3.219 481 HA ILE 56 HA ILE 56 4.306 -0.378 -4.977 482 HB ILE 56 HB ILE 56 4.103 -0.356 -1.922 483 HG12 ILE 56 2HG1 ILE 56 4.487 1.929 -2.912 484 HG13 ILE 56 3HG1 ILE 56 5.814 1.380 -1.904 485 HG21 ILE 56 1HG2 ILE 56 6.410 -1.247 -3.696 486 HG22 ILE 56 2HG2 ILE 56 5.369 -2.295 -2.729 487 HG23 ILE 56 3HG2 ILE 56 6.441 -1.144 -1.934 488 HD11 ILE 56 1HD1 ILE 56 7.112 0.842 -3.923 489 HD12 ILE 56 2HD1 ILE 56 6.623 2.535 -3.868 490 HD13 ILE 56 3HD1 ILE 56 5.769 1.409 -4.922 491 H PHE 57 H PHE 57 4.129 -2.487 -5.523 492 HA PHE 57 HA PHE 57 2.065 -4.193 -4.265 493 HB2 PHE 57 2HB PHE 57 3.304 -4.341 -7.058 494 HB3 PHE 57 3HB PHE 57 2.063 -5.421 -6.435 495 HD1 PHE 57 HD1 PHE 57 -0.264 -4.623 -6.130 496 HD2 PHE 57 HD2 PHE 57 2.748 -2.074 -7.795 497 HE1 PHE 57 HE1 PHE 57 -2.000 -3.081 -6.938 498 HE2 PHE 57 HE2 PHE 57 0.997 -0.549 -8.594 499 HZ PHE 57 HZ PHE 57 -1.367 -1.046 -8.165 500 H ILE 58 H ILE 58 3.052 -5.472 -2.794 501 HA ILE 58 HA ILE 58 5.573 -6.858 -3.513 502 HB ILE 58 HB ILE 58 4.579 -6.258 -0.679 503 HG12 ILE 58 2HG1 ILE 58 6.835 -4.918 -2.256 504 HG13 ILE 58 3HG1 ILE 58 5.311 -4.167 -1.801 505 HG21 ILE 58 1HG2 ILE 58 5.895 -8.329 -0.790 506 HG22 ILE 58 2HG2 ILE 58 6.833 -7.075 0.021 507 HG23 ILE 58 3HG2 ILE 58 7.187 -7.494 -1.655 508 HD11 ILE 58 1HD1 ILE 58 7.484 -5.061 0.089 509 HD12 ILE 58 2HD1 ILE 58 5.939 -4.348 0.562 510 HD13 ILE 58 3HD1 ILE 58 7.093 -3.405 -0.379 511 H ARG 59 H ARG 59 5.494 -9.032 -3.590 512 HA ARG 59 HA ARG 59 2.978 -10.429 -3.042 513 HB2 ARG 59 2HB ARG 59 4.251 -10.856 -5.163 514 HB3 ARG 59 3HB ARG 59 5.607 -11.459 -4.213 515 HG2 ARG 59 2HG ARG 59 4.032 -13.233 -3.293 516 HG3 ARG 59 3HG ARG 59 2.852 -12.701 -4.492 517 HD2 ARG 59 2HD ARG 59 4.648 -13.172 -6.254 518 HD3 ARG 59 3HD ARG 59 5.561 -13.963 -4.967 519 HE ARG 59 HE ARG 59 3.481 -15.403 -4.690 520 HH11 ARG 59 1HH1 ARG 59 4.436 -14.052 -7.797 521 HH12 ARG 59 2HH1 ARG 59 3.677 -15.320 -8.709 522 HH21 ARG 59 1HH2 ARG 59 2.510 -17.062 -5.902 523 HH22 ARG 59 2HH2 ARG 59 2.589 -17.022 -7.631 524 H GLY 60 H GLY 60 2.738 -10.870 -0.895 525 HA2 GLY 60 2HA GLY 60 3.009 -11.941 1.101 526 HA3 GLY 60 3HA GLY 60 4.212 -12.946 0.316 527 H ALA 61 H ALA 61 3.805 -9.698 1.721 528 HA ALA 61 HA ALA 61 6.630 -9.549 2.495 529 HB1 ALA 61 1HB ALA 61 6.120 -7.229 3.150 530 HB2 ALA 61 2HB ALA 61 4.408 -7.495 2.805 531 HB3 ALA 61 3HB ALA 61 5.584 -7.544 1.499 532 H THR 62 H THR 62 7.226 -10.251 4.424 533 HA THR 62 HA THR 62 5.398 -10.926 6.556 534 HB THR 62 HB THR 62 7.445 -12.278 6.091 535 HG1 THR 62 HG1 THR 62 6.726 -12.544 8.151 536 HG21 THR 62 1HG2 THR 62 9.674 -11.480 6.756 537 HG22 THR 62 2HG2 THR 62 9.007 -9.902 7.173 538 HG23 THR 62 3HG2 THR 62 9.009 -10.441 5.493 539 H GLU 63 H GLU 63 6.242 -10.155 8.880 540 HA GLU 63 HA GLU 63 5.162 -7.669 9.260 541 HB2 GLU 63 2HB GLU 63 5.423 -9.375 11.056 542 HB3 GLU 63 3HB GLU 63 7.147 -9.023 11.125 543 HG2 GLU 63 2HG GLU 63 6.409 -6.568 11.639 544 HG3 GLU 63 3HG GLU 63 4.829 -7.269 11.981 545 H GLU 64 H GLU 64 8.663 -8.452 9.241 546 HA GLU 64 HA GLU 64 9.538 -5.900 9.982 547 HB2 GLU 64 2HB GLU 64 11.782 -6.561 9.175 548 HB3 GLU 64 3HB GLU 64 11.040 -7.761 10.223 549 HG2 GLU 64 2HG GLU 64 10.561 -9.208 8.348 550 HG3 GLU 64 3HG GLU 64 11.061 -7.968 7.200 551 H VAL 65 H VAL 65 9.059 -7.276 6.727 552 HA VAL 65 HA VAL 65 10.182 -5.193 5.220 553 HB VAL 65 HB VAL 65 7.895 -7.067 4.442 554 HG11 VAL 65 1HG1 VAL 65 9.730 -5.441 2.633 555 HG12 VAL 65 2HG1 VAL 65 8.011 -5.150 2.898 556 HG13 VAL 65 3HG1 VAL 65 8.538 -6.626 2.089 557 HG21 VAL 65 1HG2 VAL 65 10.894 -7.379 3.995 558 HG22 VAL 65 2HG2 VAL 65 9.644 -8.504 3.455 559 HG23 VAL 65 3HG2 VAL 65 9.934 -8.268 5.179 560 H VAL 66 H VAL 66 6.789 -5.799 6.134 561 HA VAL 66 HA VAL 66 5.638 -3.512 4.970 562 HB VAL 66 HB VAL 66 4.602 -5.000 7.432 563 HG11 VAL 66 1HG1 VAL 66 2.358 -4.247 6.687 564 HG12 VAL 66 2HG1 VAL 66 3.103 -3.331 5.375 565 HG13 VAL 66 3HG1 VAL 66 3.419 -2.883 7.051 566 HG21 VAL 66 1HG2 VAL 66 3.315 -6.437 5.884 567 HG22 VAL 66 2HG2 VAL 66 5.052 -6.603 5.613 568 HG23 VAL 66 3HG2 VAL 66 4.077 -5.642 4.503 569 H ARG 67 H ARG 67 6.726 -4.087 8.338 570 HA ARG 67 HA ARG 67 5.830 -1.603 9.380 571 HB2 ARG 67 2HB ARG 67 6.816 -2.235 11.457 572 HB3 ARG 67 3HB ARG 67 6.316 -3.753 10.721 573 HG2 ARG 67 2HG ARG 67 8.654 -4.136 9.970 574 HG3 ARG 67 3HG ARG 67 9.137 -2.636 10.751 575 HD2 ARG 67 2HD ARG 67 8.326 -3.684 12.942 576 HD3 ARG 67 3HD ARG 67 8.229 -5.218 12.061 577 HE ARG 67 HE ARG 67 10.729 -3.658 12.053 578 HH11 ARG 67 1HH1 ARG 67 9.114 -6.650 12.968 579 HH12 ARG 67 2HH1 ARG 67 10.598 -7.448 13.385 580 HH21 ARG 67 1HH2 ARG 67 12.639 -4.700 12.621 581 HH22 ARG 67 2HH2 ARG 67 12.593 -6.344 13.189 582 H ASP 68 H ASP 68 8.940 -2.641 8.027 583 HA ASP 68 HA ASP 68 10.552 -0.461 8.855 584 HB2 ASP 68 2HB ASP 68 10.814 -2.579 6.717 585 HB3 ASP 68 3HB ASP 68 11.874 -1.178 6.607 586 H ILE 69 H ILE 69 8.657 -1.061 5.929 587 HA ILE 69 HA ILE 69 9.229 1.373 4.571 588 HB ILE 69 HB ILE 69 6.764 -0.421 4.444 589 HG12 ILE 69 2HG1 ILE 69 9.126 -0.378 2.507 590 HG13 ILE 69 3HG1 ILE 69 9.014 -1.494 3.864 591 HG21 ILE 69 1HG2 ILE 69 6.365 0.616 2.211 592 HG22 ILE 69 2HG2 ILE 69 7.644 1.781 2.551 593 HG23 ILE 69 3HG2 ILE 69 6.188 1.754 3.548 594 HD11 ILE 69 1HD1 ILE 69 7.082 -1.327 1.557 595 HD12 ILE 69 2HD1 ILE 69 6.958 -2.425 2.934 596 HD13 ILE 69 3HD1 ILE 69 8.316 -2.561 1.819 597 H VAL 70 H VAL 70 6.442 0.402 6.585 598 HA VAL 70 HA VAL 70 4.890 2.701 6.276 599 HB VAL 70 HB VAL 70 4.865 0.552 8.441 600 HG11 VAL 70 1HG1 VAL 70 2.602 1.342 9.072 601 HG12 VAL 70 2HG1 VAL 70 2.786 2.724 7.987 602 HG13 VAL 70 3HG1 VAL 70 3.834 2.564 9.396 603 HG21 VAL 70 1HG2 VAL 70 2.900 -0.313 7.197 604 HG22 VAL 70 2HG2 VAL 70 4.320 -0.220 6.153 605 HG23 VAL 70 3HG2 VAL 70 3.058 1.004 6.028 606 H GLU 71 H GLU 71 7.084 1.784 8.975 607 HA GLU 71 HA GLU 71 6.594 4.003 10.632 608 HB2 GLU 71 2HB GLU 71 8.564 3.386 11.882 609 HB3 GLU 71 3HB GLU 71 7.807 1.894 11.340 610 HG2 GLU 71 2HG GLU 71 9.465 1.699 9.527 611 HG3 GLU 71 3HG GLU 71 10.219 3.204 10.041 612 H TYR 72 H TYR 72 8.853 3.565 7.953 613 HA TYR 72 HA TYR 72 10.464 5.845 8.265 614 HB2 TYR 72 2HB TYR 72 11.130 4.032 6.768 615 HB3 TYR 72 3HB TYR 72 9.702 4.266 5.768 616 HD1 TYR 72 HD1 TYR 72 12.745 6.127 6.956 617 HD2 TYR 72 HD2 TYR 72 9.913 5.588 3.799 618 HE1 TYR 72 HE1 TYR 72 13.986 7.721 5.569 619 HE2 TYR 72 HE2 TYR 72 11.170 7.187 2.409 620 HH TYR 72 HH TYR 72 12.722 9.163 2.879 621 H ALA 73 H ALA 73 7.597 5.309 6.214 622 HA ALA 73 HA ALA 73 7.467 7.999 5.256 623 HB1 ALA 73 1HB ALA 73 5.306 7.314 4.279 624 HB2 ALA 73 2HB ALA 73 5.362 5.818 5.217 625 HB3 ALA 73 3HB ALA 73 6.571 6.122 3.968 626 H GLN 74 H GLN 74 6.127 6.378 8.099 627 HA GLN 74 HA GLN 74 4.214 8.374 8.830 628 HB2 GLN 74 2HB GLN 74 5.643 6.271 10.510 629 HB3 GLN 74 3HB GLN 74 4.403 7.337 11.158 630 HG2 GLN 74 2HG GLN 74 3.984 5.344 8.913 631 HG3 GLN 74 3HG GLN 74 3.539 5.091 10.595 632 HE21 GLN 74 1HE2 GLN 74 1.748 6.211 11.438 633 HE22 GLN 74 2HE2 GLN 74 0.590 6.995 10.420 634 H LYS 75 H LYS 75 7.664 7.922 9.527 635 HA LYS 75 HA LYS 75 8.074 9.966 11.434 636 HB2 LYS 75 2HB LYS 75 9.976 8.833 9.334 637 HB3 LYS 75 3HB LYS 75 10.484 9.961 10.587 638 HG2 LYS 75 2HG LYS 75 9.937 8.341 12.328 639 HG3 LYS 75 3HG LYS 75 9.298 7.224 11.121 640 HD2 LYS 75 2HD LYS 75 11.562 6.546 11.819 641 HD3 LYS 75 3HD LYS 75 11.546 7.000 10.116 642 HE2 LYS 75 2HE LYS 75 12.515 9.197 10.688 643 HE3 LYS 75 3HE LYS 75 12.497 8.770 12.399 644 HZ1 LYS 75 1HZ LYS 75 13.978 6.876 11.798 645 HZ2 LYS 75 2HZ LYS 75 14.666 8.399 11.597 646 HZ3 LYS 75 3HZ LYS 75 14.125 7.540 10.250 647 H GLU 76 H GLU 76 7.959 10.031 7.920 648 HA GLU 76 HA GLU 76 8.727 12.847 7.740 649 HB2 GLU 76 2HB GLU 76 7.896 11.030 5.438 650 HB3 GLU 76 3HB GLU 76 8.891 12.483 5.373 651 HG2 GLU 76 2HG GLU 76 10.598 11.223 6.810 652 HG3 GLU 76 3HG GLU 76 9.640 9.781 6.505 653 H GLY 77 H GLY 77 5.891 11.169 8.313 654 HA2 GLY 77 2HA GLY 77 3.788 12.028 8.742 655 HA3 GLY 77 3HA GLY 77 4.291 13.571 8.072 656 H LEU 78 H LEU 78 4.881 10.872 6.088 657 HA LEU 78 HA LEU 78 3.028 11.729 4.058 658 HB2 LEU 78 2HB LEU 78 4.770 9.229 4.087 659 HB3 LEU 78 3HB LEU 78 4.058 10.006 2.678 660 HG LEU 78 HG LEU 78 6.290 11.128 4.413 661 HD11 LEU 78 1HD1 LEU 78 6.366 10.140 1.554 662 HD12 LEU 78 2HD1 LEU 78 7.015 9.300 2.965 663 HD13 LEU 78 3HD1 LEU 78 7.711 10.835 2.464 664 HD21 LEU 78 1HD2 LEU 78 6.446 12.975 2.784 665 HD22 LEU 78 2HD2 LEU 78 4.903 12.972 3.631 666 HD23 LEU 78 3HD2 LEU 78 4.995 12.380 1.971 667 H ARG 79 H ARG 79 1.078 10.857 3.581 668 HA ARG 79 HA ARG 79 -0.291 9.299 5.508 669 HB2 ARG 79 2HB ARG 79 -1.368 11.045 4.153 670 HB3 ARG 79 3HB ARG 79 -1.082 10.117 2.685 671 HG2 ARG 79 2HG ARG 79 -2.678 8.437 3.335 672 HG3 ARG 79 3HG ARG 79 -2.804 9.096 4.968 673 HD2 ARG 79 2HD ARG 79 -3.735 10.440 2.408 674 HD3 ARG 79 3HD ARG 79 -4.761 9.737 3.665 675 HE ARG 79 HE ARG 79 -2.972 12.049 4.152 676 HH11 ARG 79 1HH1 ARG 79 -6.127 10.545 4.560 677 HH12 ARG 79 2HH1 ARG 79 -6.720 11.834 5.552 678 HH21 ARG 79 1HH2 ARG 79 -3.743 13.683 5.467 679 HH22 ARG 79 2HH2 ARG 79 -5.373 13.616 6.066 680 H VAL 80 H VAL 80 0.023 7.146 5.773 681 HA VAL 80 HA VAL 80 0.719 5.442 3.473 682 HB VAL 80 HB VAL 80 0.940 4.713 6.434 683 HG11 VAL 80 1HG1 VAL 80 2.131 3.390 3.962 684 HG12 VAL 80 2HG1 VAL 80 0.779 2.771 4.911 685 HG13 VAL 80 3HG1 VAL 80 2.385 2.876 5.634 686 HG21 VAL 80 1HG2 VAL 80 3.364 5.130 6.216 687 HG22 VAL 80 2HG2 VAL 80 2.433 6.601 5.931 688 HG23 VAL 80 3HG2 VAL 80 3.119 5.716 4.567 689 H LEU 81 H LEU 81 -0.888 4.377 2.569 690 HA LEU 81 HA LEU 81 -3.273 3.499 4.108 691 HB2 LEU 81 2HB LEU 81 -3.027 3.773 1.072 692 HB3 LEU 81 3HB LEU 81 -4.481 3.479 1.992 693 HG LEU 81 HG LEU 81 -4.605 5.702 1.131 694 HD11 LEU 81 1HD1 LEU 81 -4.802 7.122 3.097 695 HD12 LEU 81 2HD1 LEU 81 -3.912 5.934 4.054 696 HD13 LEU 81 3HD1 LEU 81 -5.484 5.519 3.367 697 HD21 LEU 81 1HD2 LEU 81 -2.230 6.057 0.647 698 HD22 LEU 81 2HD2 LEU 81 -1.919 6.332 2.364 699 HD23 LEU 81 3HD2 LEU 81 -2.952 7.443 1.463 700 H VAL 82 H VAL 82 -3.006 1.287 4.604 701 HA VAL 82 HA VAL 82 -1.324 -0.349 2.778 702 HB VAL 82 HB VAL 82 -1.824 -0.865 5.747 703 HG11 VAL 82 1HG1 VAL 82 0.037 -2.484 5.578 704 HG12 VAL 82 2HG1 VAL 82 0.146 -2.178 3.843 705 HG13 VAL 82 3HG1 VAL 82 -1.305 -2.924 4.516 706 HG21 VAL 82 1HG2 VAL 82 -0.537 1.204 5.476 707 HG22 VAL 82 2HG2 VAL 82 0.624 0.366 4.445 708 HG23 VAL 82 3HG2 VAL 82 0.477 -0.077 6.148 709 H ILE 83 H ILE 83 -2.465 -1.757 1.594 710 HA ILE 83 HA ILE 83 -4.802 -3.171 2.747 711 HB ILE 83 HB ILE 83 -3.786 -3.152 -0.143 712 HG12 ILE 83 2HG1 ILE 83 -6.182 -1.789 1.145 713 HG13 ILE 83 3HG1 ILE 83 -4.777 -1.002 0.440 714 HG21 ILE 83 1HG2 ILE 83 -6.302 -4.439 0.999 715 HG22 ILE 83 2HG2 ILE 83 -4.873 -5.302 0.431 716 HG23 ILE 83 3HG2 ILE 83 -5.855 -4.383 -0.708 717 HD11 ILE 83 1HD1 ILE 83 -6.860 -2.582 -1.046 718 HD12 ILE 83 2HD1 ILE 83 -5.433 -1.826 -1.761 719 HD13 ILE 83 3HD1 ILE 83 -6.675 -0.830 -1.009 720 H MET 84 H MET 84 -4.609 -5.302 3.265 721 HA MET 84 HA MET 84 -2.283 -6.857 2.297 722 HB2 MET 84 2HB MET 84 -3.330 -6.584 5.139 723 HB3 MET 84 3HB MET 84 -2.399 -7.985 4.652 724 HG2 MET 84 2HG MET 84 -0.479 -6.605 4.124 725 HG3 MET 84 3HG MET 84 -1.405 -5.138 4.426 726 HE1 MET 84 1HE MET 84 -2.922 -5.391 7.061 727 HE2 MET 84 2HE MET 84 -1.777 -4.077 6.792 728 HE3 MET 84 3HE MET 84 -1.710 -5.013 8.283 729 H VAL 85 H VAL 85 -2.934 -8.579 1.203 730 HA VAL 85 HA VAL 85 -5.617 -9.773 1.551 731 HB VAL 85 HB VAL 85 -4.261 -9.201 -1.145 732 HG11 VAL 85 1HG1 VAL 85 -6.390 -9.951 -2.172 733 HG12 VAL 85 2HG1 VAL 85 -7.014 -10.371 -0.575 734 HG13 VAL 85 3HG1 VAL 85 -5.627 -11.240 -1.236 735 HG21 VAL 85 1HG2 VAL 85 -6.691 -7.831 0.051 736 HG22 VAL 85 2HG2 VAL 85 -6.011 -7.537 -1.553 737 HG23 VAL 85 3HG2 VAL 85 -5.082 -7.123 -0.112 738 H ASP 86 H ASP 86 -5.383 -11.896 1.975 739 HA ASP 86 HA ASP 86 -3.587 -13.684 0.663 740 HB2 ASP 86 2HB ASP 86 -2.075 -12.367 2.308 741 HB3 ASP 86 3HB ASP 86 -2.939 -13.165 3.606 742 H GLN 87 H GLN 87 -3.983 -15.873 1.337 743 HA GLN 87 HA GLN 87 -6.647 -16.414 2.171 744 HB2 GLN 87 2HB GLN 87 -4.302 -18.288 1.692 745 HB3 GLN 87 3HB GLN 87 -5.968 -18.818 1.932 746 HG2 GLN 87 2HG GLN 87 -6.686 -17.679 -0.101 747 HG3 GLN 87 3HG GLN 87 -5.089 -16.965 -0.312 748 HE21 GLN 87 1HE2 GLN 87 -4.762 -17.859 -2.364 749 HE22 GLN 87 2HE2 GLN 87 -4.511 -19.552 -2.619 750 H ASP 88 H ASP 88 -3.619 -16.338 3.843 751 HA ASP 88 HA ASP 88 -4.751 -17.288 6.362 752 HB2 ASP 88 2HB ASP 88 -1.954 -16.268 5.680 753 HB3 ASP 88 3HB ASP 88 -2.452 -16.833 7.273 754 H GLN 89 H GLN 89 -6.368 -15.680 6.456 755 HA GLN 89 HA GLN 89 -5.991 -12.899 6.507 756 HB2 GLN 89 2HB GLN 89 -8.188 -14.019 6.235 757 HB3 GLN 89 3HB GLN 89 -8.114 -14.593 7.897 758 HG2 GLN 89 2HG GLN 89 -9.627 -12.686 7.667 759 HG3 GLN 89 3HG GLN 89 -8.270 -12.282 8.716 760 HE21 GLN 89 1HE2 GLN 89 -6.733 -10.773 7.980 761 HE22 GLN 89 2HE2 GLN 89 -7.041 -9.743 6.630 762 H GLU 90 H GLU 90 -5.549 -15.341 8.973 763 HA GLU 90 HA GLU 90 -5.469 -13.798 11.312 764 HB2 GLU 90 2HB GLU 90 -3.858 -16.309 10.691 765 HB3 GLU 90 3HB GLU 90 -4.211 -15.678 12.295 766 HG2 GLU 90 2HG GLU 90 -6.301 -16.664 10.340 767 HG3 GLU 90 3HG GLU 90 -5.608 -17.628 11.635 768 H GLU 91 H GLU 91 -2.844 -14.661 9.031 769 HA GLU 91 HA GLU 91 -0.684 -13.478 10.424 770 HB2 GLU 91 2HB GLU 91 -0.371 -15.098 8.558 771 HB3 GLU 91 3HB GLU 91 -1.002 -13.913 7.418 772 HG2 GLU 91 2HG GLU 91 0.909 -12.409 7.942 773 HG3 GLU 91 3HG GLU 91 1.543 -13.621 9.054 774 H LEU 92 H LEU 92 -2.852 -12.281 7.905 775 HA LEU 92 HA LEU 92 -1.805 -9.723 7.475 776 HB2 LEU 92 2HB LEU 92 -4.738 -10.519 7.340 777 HB3 LEU 92 3HB LEU 92 -3.988 -9.153 6.527 778 HG LEU 92 HG LEU 92 -3.503 -12.088 5.914 779 HD11 LEU 92 1HD1 LEU 92 -5.692 -11.299 5.167 780 HD12 LEU 92 2HD1 LEU 92 -4.636 -11.608 3.791 781 HD13 LEU 92 3HD1 LEU 92 -4.939 -9.949 4.311 782 HD21 LEU 92 1HD2 LEU 92 -1.432 -10.816 5.590 783 HD22 LEU 92 2HD2 LEU 92 -2.283 -9.650 4.582 784 HD23 LEU 92 3HD2 LEU 92 -2.108 -11.308 4.044 785 H GLU 93 H GLU 93 -4.217 -10.865 9.810 786 HA GLU 93 HA GLU 93 -4.876 -8.310 10.904 787 HB2 GLU 93 2HB GLU 93 -5.416 -11.151 11.833 788 HB3 GLU 93 3HB GLU 93 -5.927 -9.746 12.766 789 HG2 GLU 93 2HG GLU 93 -7.232 -8.956 10.772 790 HG3 GLU 93 3HG GLU 93 -6.806 -10.461 9.955 791 H ARG 94 H ARG 94 -2.375 -10.641 11.604 792 HA ARG 94 HA ARG 94 -1.647 -9.637 14.176 793 HB2 ARG 94 2HB ARG 94 -0.963 -11.887 13.395 794 HB3 ARG 94 3HB ARG 94 0.013 -11.161 12.122 795 HG2 ARG 94 2HG ARG 94 1.398 -11.916 14.019 796 HG3 ARG 94 3HG ARG 94 1.512 -10.169 13.788 797 HD2 ARG 94 2HD ARG 94 -0.198 -9.887 15.625 798 HD3 ARG 94 3HD ARG 94 -0.107 -11.629 15.907 799 HE ARG 94 HE ARG 94 2.359 -11.205 16.320 800 HH11 ARG 94 1HH1 ARG 94 -0.060 -8.748 16.979 801 HH12 ARG 94 2HH1 ARG 94 0.876 -7.980 18.219 802 HH21 ARG 94 1HH2 ARG 94 3.565 -10.217 17.993 803 HH22 ARG 94 2HH2 ARG 94 2.932 -8.813 18.794 804 H ILE 95 H ILE 95 -0.613 -8.941 10.850 805 HA ILE 95 HA ILE 95 1.324 -6.929 11.508 806 HB ILE 95 HB ILE 95 -0.155 -7.169 8.848 807 HG12 ILE 95 2HG1 ILE 95 0.642 -9.411 9.293 808 HG13 ILE 95 3HG1 ILE 95 1.703 -8.704 8.089 809 HG21 ILE 95 1HG2 ILE 95 1.227 -5.161 9.061 810 HG22 ILE 95 2HG2 ILE 95 1.928 -6.263 7.877 811 HG23 ILE 95 3HG2 ILE 95 2.632 -6.143 9.490 812 HD11 ILE 95 1HD1 ILE 95 2.307 -9.109 11.019 813 HD12 ILE 95 2HD1 ILE 95 3.377 -8.296 9.874 814 HD13 ILE 95 3HD1 ILE 95 2.977 -9.998 9.652 815 H TYR 96 H TYR 96 -2.086 -6.955 10.663 816 HA TYR 96 HA TYR 96 -2.642 -4.223 10.321 817 HB2 TYR 96 2HB TYR 96 -4.179 -6.039 9.638 818 HB3 TYR 96 3HB TYR 96 -4.415 -6.518 11.307 819 HD1 TYR 96 HD1 TYR 96 -5.389 -4.125 8.678 820 HD2 TYR 96 HD2 TYR 96 -5.919 -5.170 12.791 821 HE1 TYR 96 HE1 TYR 96 -7.394 -2.714 8.787 822 HE2 TYR 96 HE2 TYR 96 -7.922 -3.747 12.893 823 HH TYR 96 HH TYR 96 -8.923 -1.888 11.742 824 H GLU 97 H GLU 97 -2.659 -6.303 13.213 825 HA GLU 97 HA GLU 97 -3.704 -4.581 15.124 826 HB2 GLU 97 2HB GLU 97 -3.169 -6.974 15.577 827 HB3 GLU 97 3HB GLU 97 -1.448 -6.601 15.511 828 HG2 GLU 97 2HG GLU 97 -1.943 -4.933 17.462 829 HG3 GLU 97 3HG GLU 97 -3.469 -5.798 17.627 830 H GLN 98 H GLN 98 -0.328 -5.023 14.139 831 HA GLN 98 HA GLN 98 0.909 -3.285 15.978 832 HB2 GLN 98 2HB GLN 98 1.894 -5.214 14.567 833 HB3 GLN 98 3HB GLN 98 1.980 -4.088 13.227 834 HG2 GLN 98 2HG GLN 98 3.398 -3.604 15.865 835 HG3 GLN 98 3HG GLN 98 4.126 -4.519 14.551 836 HE21 GLN 98 1HE2 GLN 98 3.199 -1.356 15.669 837 HE22 GLN 98 2HE2 GLN 98 4.003 -0.460 14.429 838 H LEU 99 H LEU 99 -0.107 -2.816 12.603 839 HA LEU 99 HA LEU 99 0.940 -0.170 12.311 840 HB2 LEU 99 2HB LEU 99 -0.790 -2.011 10.673 841 HB3 LEU 99 3HB LEU 99 -0.699 -0.323 10.213 842 HG LEU 99 HG LEU 99 1.690 -0.501 9.783 843 HD11 LEU 99 1HD1 LEU 99 1.571 -3.391 10.659 844 HD12 LEU 99 2HD1 LEU 99 2.376 -2.079 11.519 845 HD13 LEU 99 3HD1 LEU 99 2.964 -2.579 9.935 846 HD21 LEU 99 1HD2 LEU 99 0.194 -2.790 8.486 847 HD22 LEU 99 2HD2 LEU 99 1.652 -2.017 7.856 848 HD23 LEU 99 3HD2 LEU 99 0.152 -1.101 7.974 849 H LYS 100 H LYS 100 -2.367 -1.431 12.756 850 HA LYS 100 HA LYS 100 -3.788 1.020 12.648 851 HB2 LYS 100 2HB LYS 100 -4.712 -1.307 12.315 852 HB3 LYS 100 3HB LYS 100 -4.557 -1.596 14.032 853 HG2 LYS 100 2HG LYS 100 -6.272 0.688 13.059 854 HG3 LYS 100 3HG LYS 100 -6.887 -0.961 12.965 855 HD2 LYS 100 2HD LYS 100 -5.952 0.436 15.495 856 HD3 LYS 100 3HD LYS 100 -7.631 0.180 15.026 857 HE2 LYS 100 2HE LYS 100 -7.411 -2.215 15.269 858 HE3 LYS 100 3HE LYS 100 -5.661 -2.089 15.490 859 HZ1 LYS 100 1HZ LYS 100 -6.039 -0.906 17.559 860 HZ2 LYS 100 2HZ LYS 100 -6.817 -2.405 17.593 861 HZ3 LYS 100 3HZ LYS 100 -7.713 -0.994 17.345 862 H LYS 101 H LYS 101 -2.225 -0.744 15.251 863 HA LYS 101 HA LYS 101 -3.096 0.644 17.517 864 HB2 LYS 101 2HB LYS 101 -1.811 -1.491 17.492 865 HB3 LYS 101 3HB LYS 101 -0.362 -0.609 17.029 866 HG2 LYS 101 2HG LYS 101 -0.305 0.534 19.167 867 HG3 LYS 101 3HG LYS 101 -1.875 -0.135 19.622 868 HD2 LYS 101 2HD LYS 101 0.675 -1.739 19.162 869 HD3 LYS 101 3HD LYS 101 -0.013 -1.340 20.736 870 HE2 LYS 101 2HE LYS 101 -2.032 -2.676 20.178 871 HE3 LYS 101 3HE LYS 101 -1.330 -3.076 18.610 872 HZ1 LYS 101 1HZ LYS 101 -0.988 -4.883 20.143 873 HZ2 LYS 101 2HZ LYS 101 -0.266 -3.859 21.271 874 HZ3 LYS 101 3HZ LYS 101 0.505 -4.170 19.795 875 H ASP 102 H ASP 102 -0.384 1.342 15.315 876 HA ASP 102 HA ASP 102 0.521 3.726 16.631 877 HB2 ASP 102 2HB ASP 102 2.017 2.482 15.136 878 HB3 ASP 102 3HB ASP 102 0.922 2.714 13.776 879 H GLY 103 H GLY 103 -1.996 3.007 14.340 880 HA2 GLY 103 2HA GLY 103 -3.889 4.419 14.011 881 HA3 GLY 103 3HA GLY 103 -2.878 5.830 14.283 882 H VAL 104 H VAL 104 -1.497 3.402 12.290 883 HA VAL 104 HA VAL 104 -1.466 4.954 9.897 884 HB VAL 104 HB VAL 104 -1.016 1.935 10.175 885 HG11 VAL 104 1HG1 VAL 104 -0.015 3.855 8.035 886 HG12 VAL 104 2HG1 VAL 104 -1.267 2.628 7.830 887 HG13 VAL 104 3HG1 VAL 104 0.397 2.141 8.158 888 HG21 VAL 104 1HG2 VAL 104 1.376 2.425 10.469 889 HG22 VAL 104 2HG2 VAL 104 0.418 3.153 11.757 890 HG23 VAL 104 3HG2 VAL 104 1.037 4.160 10.446 891 H ASP 105 H ASP 105 -2.817 4.814 8.040 892 HA ASP 105 HA ASP 105 -5.498 3.833 8.450 893 HB2 ASP 105 2HB ASP 105 -4.870 5.944 7.140 894 HB3 ASP 105 3HB ASP 105 -4.253 4.894 5.872 895 H VAL 106 H VAL 106 -5.866 1.673 8.311 896 HA VAL 106 HA VAL 106 -4.447 0.016 6.299 897 HB VAL 106 HB VAL 106 -4.099 -1.749 8.089 898 HG11 VAL 106 1HG1 VAL 106 -2.635 0.866 8.587 899 HG12 VAL 106 2HG1 VAL 106 -2.233 -0.326 7.355 900 HG13 VAL 106 3HG1 VAL 106 -2.095 -0.747 9.054 901 HG21 VAL 106 1HG2 VAL 106 -4.157 -1.080 10.466 902 HG22 VAL 106 2HG2 VAL 106 -5.753 -0.931 9.732 903 HG23 VAL 106 3HG2 VAL 106 -4.779 0.512 10.014 904 H ARG 107 H ARG 107 -5.382 -1.931 5.762 905 HA ARG 107 HA ARG 107 -7.974 -2.761 6.731 906 HB2 ARG 107 2HB ARG 107 -8.921 -2.657 4.334 907 HB3 ARG 107 3HB ARG 107 -8.800 -1.143 5.219 908 HG2 ARG 107 2HG ARG 107 -6.643 -0.666 3.993 909 HG3 ARG 107 3HG ARG 107 -6.950 -2.095 3.001 910 HD2 ARG 107 2HD ARG 107 -7.663 0.086 1.958 911 HD3 ARG 107 3HD ARG 107 -8.950 -1.118 2.089 912 HE ARG 107 HE ARG 107 -9.016 0.493 4.380 913 HH11 ARG 107 1HH1 ARG 107 -9.630 0.819 0.943 914 HH12 ARG 107 2HH1 ARG 107 -10.819 2.063 1.154 915 HH21 ARG 107 1HH2 ARG 107 -10.588 2.070 4.668 916 HH22 ARG 107 2HH2 ARG 107 -11.368 2.782 3.288 917 H VAL 108 H VAL 108 -8.325 -4.886 6.389 918 HA VAL 108 HA VAL 108 -6.399 -6.449 4.781 919 HB VAL 108 HB VAL 108 -6.589 -8.258 6.571 920 HG11 VAL 108 1HG1 VAL 108 -4.899 -7.261 8.064 921 HG12 VAL 108 2HG1 VAL 108 -5.257 -5.661 7.406 922 HG13 VAL 108 3HG1 VAL 108 -4.570 -6.910 6.370 923 HG21 VAL 108 1HG2 VAL 108 -7.236 -7.605 8.866 924 HG22 VAL 108 2HG2 VAL 108 -8.597 -7.436 7.757 925 HG23 VAL 108 3HG2 VAL 108 -7.715 -6.004 8.289 926 H THR 109 H THR 109 -7.280 -8.047 3.547 927 HA THR 109 HA THR 109 -9.961 -9.038 3.986 928 HB THR 109 HB THR 109 -10.685 -7.144 2.748 929 HG1 THR 109 HG1 THR 109 -10.485 -8.790 0.507 930 HG21 THR 109 1HG2 THR 109 -8.549 -6.282 1.887 931 HG22 THR 109 2HG2 THR 109 -9.731 -6.394 0.582 932 HG23 THR 109 3HG2 THR 109 -8.458 -7.608 0.723 933 H ASP 110 H ASP 110 -9.615 -11.176 3.816 934 HA ASP 110 HA ASP 110 -8.042 -12.355 1.675 935 HB2 ASP 110 2HB ASP 110 -8.166 -13.653 3.700 936 HB3 ASP 110 3HB ASP 110 -9.915 -13.513 3.782 937 H ASN 111 H ASN 111 -8.927 -11.413 -0.119 938 HA ASN 111 HA ASN 111 -10.710 -12.633 -1.739 939 HB2 ASN 111 2HB ASN 111 -12.215 -10.713 0.028 940 HB3 ASN 111 3HB ASN 111 -12.556 -10.550 -1.688 941 HD21 ASN 111 1HD2 ASN 111 -14.350 -11.428 0.436 942 HD22 ASN 111 2HD2 ASN 111 -14.890 -13.008 -0.009 943 H GLU 112 H GLU 112 -10.226 -11.905 -3.711 944 HA GLU 112 HA GLU 112 -8.626 -9.553 -4.142 945 HB2 GLU 112 2HB GLU 112 -8.393 -11.673 -5.462 946 HB3 GLU 112 3HB GLU 112 -9.975 -11.382 -6.173 947 HG2 GLU 112 2HG GLU 112 -9.075 -9.241 -7.143 948 HG3 GLU 112 3HG GLU 112 -7.477 -9.687 -6.545 949 H ASP 113 H ASP 113 -12.044 -10.332 -4.322 950 HA ASP 113 HA ASP 113 -12.954 -8.248 -6.017 951 HB2 ASP 113 2HB ASP 113 -14.285 -10.298 -5.432 952 HB3 ASP 113 3HB ASP 113 -14.507 -9.670 -3.801 953 H GLU 114 H GLU 114 -13.239 -8.560 -2.462 954 HA GLU 114 HA GLU 114 -13.884 -5.893 -1.869 955 HB2 GLU 114 2HB GLU 114 -12.685 -8.148 -0.236 956 HB3 GLU 114 3HB GLU 114 -12.782 -6.538 0.464 957 HG2 GLU 114 2HG GLU 114 -14.658 -7.965 1.151 958 HG3 GLU 114 3HG GLU 114 -15.197 -6.540 0.268 959 H ALA 115 H ALA 115 -10.754 -7.430 -2.446 960 HA ALA 115 HA ALA 115 -9.016 -5.469 -1.451 961 HB1 ALA 115 1HB ALA 115 -8.587 -7.282 -3.848 962 HB2 ALA 115 2HB ALA 115 -8.268 -7.699 -2.164 963 HB3 ALA 115 3HB ALA 115 -7.328 -6.427 -2.945 964 H LYS 116 H LYS 116 -10.480 -5.800 -4.697 965 HA LYS 116 HA LYS 116 -9.193 -3.602 -5.951 966 HB2 LYS 116 2HB LYS 116 -11.824 -4.995 -6.618 967 HB3 LYS 116 3HB LYS 116 -11.025 -3.832 -7.676 968 HG2 LYS 116 2HG LYS 116 -9.125 -5.303 -7.971 969 HG3 LYS 116 3HG LYS 116 -9.759 -6.433 -6.771 970 HD2 LYS 116 2HD LYS 116 -11.731 -6.852 -8.255 971 HD3 LYS 116 3HD LYS 116 -11.016 -5.782 -9.466 972 HE2 LYS 116 2HE LYS 116 -9.103 -7.278 -9.701 973 HE3 LYS 116 3HE LYS 116 -9.723 -8.311 -8.413 974 HZ1 LYS 116 1HZ LYS 116 -10.203 -9.251 -10.551 975 HZ2 LYS 116 2HZ LYS 116 -11.001 -7.845 -11.050 976 HZ3 LYS 116 3HZ LYS 116 -11.655 -8.792 -9.810 977 H LYS 117 H LYS 117 -12.321 -3.894 -4.328 978 HA LYS 117 HA LYS 117 -13.320 -1.289 -4.907 979 HB2 LYS 117 2HB LYS 117 -14.017 -3.369 -2.797 980 HB3 LYS 117 3HB LYS 117 -14.951 -1.894 -3.039 981 HG2 LYS 117 2HG LYS 117 -15.900 -2.633 -5.015 982 HG3 LYS 117 3HG LYS 117 -14.482 -3.574 -5.475 983 HD2 LYS 117 2HD LYS 117 -16.446 -5.006 -5.012 984 HD3 LYS 117 3HD LYS 117 -15.094 -5.353 -3.938 985 HE2 LYS 117 2HE LYS 117 -16.186 -4.158 -2.115 986 HE3 LYS 117 3HE LYS 117 -17.497 -3.657 -3.190 987 HZ1 LYS 117 1HZ LYS 117 -16.848 -6.501 -2.624 988 HZ2 LYS 117 2HZ LYS 117 -18.205 -5.892 -3.421 989 HZ3 LYS 117 3HZ LYS 117 -18.012 -5.619 -1.767 990 H ARG 118 H ARG 118 -11.612 -2.676 -2.118 991 HA ARG 118 HA ARG 118 -11.432 -0.290 -0.563 992 HB2 ARG 118 2HB ARG 118 -9.942 -2.943 -0.504 993 HB3 ARG 118 3HB ARG 118 -9.544 -1.645 0.609 994 HG2 ARG 118 2HG ARG 118 -12.226 -3.055 0.409 995 HG3 ARG 118 3HG ARG 118 -11.012 -3.293 1.666 996 HD2 ARG 118 2HD ARG 118 -11.275 -0.812 2.210 997 HD3 ARG 118 3HD ARG 118 -12.676 -0.816 1.139 998 HE ARG 118 HE ARG 118 -13.005 -2.868 3.020 999 HH11 ARG 118 1HH1 ARG 118 -12.931 0.659 2.941 1000 HH12 ARG 118 2HH1 ARG 118 -13.956 0.822 4.332 1001 HH21 ARG 118 1HH2 ARG 118 -14.318 -2.620 4.857 1002 HH22 ARG 118 2HH2 ARG 118 -14.739 -1.028 5.414 1003 H LEU 119 H LEU 119 -9.502 -1.670 -3.146 1004 HA LEU 119 HA LEU 119 -7.084 -0.230 -2.841 1005 HB2 LEU 119 2HB LEU 119 -7.586 -2.306 -4.323 1006 HB3 LEU 119 3HB LEU 119 -8.252 -1.201 -5.495 1007 HG LEU 119 HG LEU 119 -5.977 -1.955 -6.094 1008 HD11 LEU 119 1HD1 LEU 119 -4.939 0.170 -6.604 1009 HD12 LEU 119 2HD1 LEU 119 -5.991 0.992 -5.453 1010 HD13 LEU 119 3HD1 LEU 119 -6.675 0.236 -6.894 1011 HD21 LEU 119 1HD2 LEU 119 -4.005 -1.298 -4.817 1012 HD22 LEU 119 2HD2 LEU 119 -5.074 -2.310 -3.850 1013 HD23 LEU 119 3HD2 LEU 119 -5.027 -0.568 -3.574 1014 H LYS 120 H LYS 120 -9.798 0.255 -5.092 1015 HA LYS 120 HA LYS 120 -9.008 2.710 -6.143 1016 HB2 LYS 120 2HB LYS 120 -10.705 1.236 -7.186 1017 HB3 LYS 120 3HB LYS 120 -11.826 1.583 -5.871 1018 HG2 LYS 120 2HG LYS 120 -11.869 3.968 -6.541 1019 HG3 LYS 120 3HG LYS 120 -10.750 3.618 -7.860 1020 HD2 LYS 120 2HD LYS 120 -13.529 2.424 -7.561 1021 HD3 LYS 120 3HD LYS 120 -13.121 3.783 -8.607 1022 HE2 LYS 120 2HE LYS 120 -11.634 2.338 -9.928 1023 HE3 LYS 120 3HE LYS 120 -11.992 0.975 -8.862 1024 HZ1 LYS 120 1HZ LYS 120 -13.318 0.889 -10.873 1025 HZ2 LYS 120 2HZ LYS 120 -13.960 2.418 -10.557 1026 HZ3 LYS 120 3HZ LYS 120 -14.316 1.125 -9.530 1027 H GLU 121 H GLU 121 -11.001 1.912 -3.281 1028 HA GLU 121 HA GLU 121 -12.060 4.409 -2.683 1029 HB2 GLU 121 2HB GLU 121 -12.602 2.272 -1.441 1030 HB3 GLU 121 3HB GLU 121 -11.072 2.436 -0.584 1031 HG2 GLU 121 2HG GLU 121 -11.925 4.753 0.163 1032 HG3 GLU 121 3HG GLU 121 -13.508 4.240 -0.409 1033 H LEU 122 H LEU 122 -8.870 3.086 -1.749 1034 HA LEU 122 HA LEU 122 -8.002 5.215 -0.091 1035 HB2 LEU 122 2HB LEU 122 -6.364 3.230 -1.719 1036 HB3 LEU 122 3HB LEU 122 -5.705 4.264 -0.459 1037 HG LEU 122 HG LEU 122 -7.767 2.068 -0.031 1038 HD11 LEU 122 1HD1 LEU 122 -4.823 2.138 0.681 1039 HD12 LEU 122 2HD1 LEU 122 -5.579 1.151 -0.568 1040 HD13 LEU 122 3HD1 LEU 122 -5.965 0.867 1.126 1041 HD21 LEU 122 1HD2 LEU 122 -8.109 3.861 1.579 1042 HD22 LEU 122 2HD2 LEU 122 -6.399 3.851 2.008 1043 HD23 LEU 122 3HD2 LEU 122 -7.414 2.456 2.382 1044 H LEU 123 H LEU 123 -7.526 4.559 -3.540 1045 HA LEU 123 HA LEU 123 -5.932 6.828 -4.145 1046 HB2 LEU 123 2HB LEU 123 -7.591 4.957 -5.853 1047 HB3 LEU 123 3HB LEU 123 -6.833 6.370 -6.563 1048 HG LEU 123 HG LEU 123 -5.421 4.462 -6.999 1049 HD11 LEU 123 1HD1 LEU 123 -4.245 6.563 -6.539 1050 HD12 LEU 123 2HD1 LEU 123 -3.284 5.166 -6.071 1051 HD13 LEU 123 3HD1 LEU 123 -4.099 6.126 -4.833 1052 HD21 LEU 123 1HD2 LEU 123 -6.163 2.950 -5.214 1053 HD22 LEU 123 2HD2 LEU 123 -5.297 3.913 -4.015 1054 HD23 LEU 123 3HD2 LEU 123 -4.404 3.056 -5.274 1055 H GLU 124 H GLU 124 -9.388 6.408 -3.784 1056 HA GLU 124 HA GLU 124 -10.045 9.052 -4.823 1057 HB2 GLU 124 2HB GLU 124 -11.778 7.015 -3.356 1058 HB3 GLU 124 3HB GLU 124 -12.360 8.495 -4.116 1059 HG2 GLU 124 2HG GLU 124 -11.624 7.662 -6.319 1060 HG3 GLU 124 3HG GLU 124 -11.044 6.184 -5.567 1061 H LYS 125 H LYS 125 -9.203 7.621 -1.743 1062 HA LYS 125 HA LYS 125 -10.375 9.594 -0.014 1063 HB2 LYS 125 2HB LYS 125 -8.283 7.431 0.440 1064 HB3 LYS 125 3HB LYS 125 -8.767 8.538 1.722 1065 HG2 LYS 125 2HG LYS 125 -11.057 7.719 1.653 1066 HG3 LYS 125 3HG LYS 125 -10.698 6.723 0.243 1067 HD2 LYS 125 2HD LYS 125 -10.770 5.329 2.254 1068 HD3 LYS 125 3HD LYS 125 -9.130 5.365 1.606 1069 HE2 LYS 125 2HE LYS 125 -8.463 6.983 3.312 1070 HE3 LYS 125 3HE LYS 125 -10.120 7.064 3.915 1071 HZ1 LYS 125 1HZ LYS 125 -8.836 5.635 5.308 1072 HZ2 LYS 125 2HZ LYS 125 -8.317 4.704 4.004 1073 HZ3 LYS 125 3HZ LYS 125 -9.946 4.685 4.464 1074 H VAL 126 H VAL 126 -7.146 9.165 -1.459 1075 HA VAL 126 HA VAL 126 -5.979 11.490 -0.256 1076 HB VAL 126 HB VAL 126 -4.537 9.748 -1.209 1077 HG11 VAL 126 1HG1 VAL 126 -5.901 9.021 -3.102 1078 HG12 VAL 126 2HG1 VAL 126 -4.261 9.409 -3.628 1079 HG13 VAL 126 3HG1 VAL 126 -5.580 10.540 -3.943 1080 HG21 VAL 126 1HG2 VAL 126 -3.597 12.014 -1.049 1081 HG22 VAL 126 2HG2 VAL 126 -4.157 12.384 -2.680 1082 HG23 VAL 126 3HG2 VAL 126 -2.913 11.154 -2.431 1083 H LEU 127 H LEU 127 -8.006 10.994 -3.102 1084 HA LEU 127 HA LEU 127 -7.744 13.689 -4.126 1085 HB2 LEU 127 2HB LEU 127 -9.831 11.558 -4.723 1086 HB3 LEU 127 3HB LEU 127 -9.610 13.046 -5.635 1087 HG LEU 127 HG LEU 127 -7.575 10.798 -5.428 1088 HD11 LEU 127 1HD1 LEU 127 -9.382 11.551 -7.742 1089 HD12 LEU 127 2HD1 LEU 127 -9.531 10.120 -6.717 1090 HD13 LEU 127 3HD1 LEU 127 -8.126 10.310 -7.758 1091 HD21 LEU 127 1HD2 LEU 127 -6.348 11.983 -7.210 1092 HD22 LEU 127 2HD2 LEU 127 -6.448 12.936 -5.732 1093 HD23 LEU 127 3HD2 LEU 127 -7.489 13.329 -7.102 1094 H GLU 128 H GLU 128 -9.708 12.111 -1.740 1095 HA GLU 128 HA GLU 128 -11.905 13.995 -1.808 1096 HB2 GLU 128 2HB GLU 128 -12.049 11.500 -1.222 1097 HB3 GLU 128 3HB GLU 128 -11.294 11.883 0.310 1098 HG2 GLU 128 2HG GLU 128 -13.960 12.981 -0.637 1099 HG3 GLU 128 3HG GLU 128 -13.753 11.615 0.450 1100 H HIS 129 H HIS 129 -9.691 13.047 0.864 1101 HA HIS 129 HA HIS 129 -8.391 14.139 2.308 1102 HB2 HIS 129 2HB HIS 129 -8.707 16.342 0.305 1103 HB3 HIS 129 3HB HIS 129 -8.051 16.783 1.870 1104 HD1 HIS 129 HD1 HIS 129 -6.588 16.687 -1.037 1105 HD2 HIS 129 HD2 HIS 129 -6.041 14.137 2.198 1106 HE1 HIS 129 HE1 HIS 129 -4.236 15.817 -1.247 1107 HE2 HIS 129 HE2 HIS 129 -3.889 14.429 0.815 1108 H HIS 130 H HIS 130 -11.603 15.551 1.862 1109 HA HIS 130 HA HIS 130 -11.269 17.353 4.148 1110 HB2 HIS 130 2HB HIS 130 -13.524 16.972 2.145 1111 HB3 HIS 130 3HB HIS 130 -13.636 18.088 3.505 1112 HD1 HIS 130 HD1 HIS 130 -13.026 20.429 2.889 1113 HD2 HIS 130 HD2 HIS 130 -11.084 17.665 0.459 1114 HE1 HIS 130 HE1 HIS 130 -11.707 21.777 1.232 1115 HE2 HIS 130 HE2 HIS 130 -10.447 20.091 -0.134 1116 H HIS 131 H HIS 131 -13.996 15.154 3.317 1117 HA HIS 131 HA HIS 131 -14.374 14.595 6.219 1118 HB2 HIS 131 2HB HIS 131 -16.471 14.439 3.991 1119 HB3 HIS 131 3HB HIS 131 -16.748 14.286 5.724 1120 HD1 HIS 131 HD1 HIS 131 -16.635 16.736 3.018 1121 HD2 HIS 131 HD2 HIS 131 -16.356 16.817 7.167 1122 HE1 HIS 131 HE1 HIS 131 -16.967 19.137 3.671 1123 HE2 HIS 131 HE2 HIS 131 -16.653 19.174 6.166 1124 H HIS 132 H HIS 132 -13.265 12.730 6.508 1125 HA HIS 132 HA HIS 132 -12.928 10.723 4.444 1126 HB2 HIS 132 2HB HIS 132 -12.015 10.703 7.355 1127 HB3 HIS 132 3HB HIS 132 -11.455 9.612 6.090 1128 HD1 HIS 132 HD1 HIS 132 -9.765 10.550 4.376 1129 HD2 HIS 132 HD2 HIS 132 -10.911 13.296 7.278 1130 HE1 HIS 132 HE1 HIS 132 -8.202 12.490 4.123 1131 HE2 HIS 132 HE2 HIS 132 -9.033 14.203 5.760 1132 H HIS 133 H HIS 133 -13.386 8.426 4.797 1133 HA HIS 133 HA HIS 133 -16.046 7.944 5.761 1134 HB2 HIS 133 2HB HIS 133 -13.962 5.941 4.782 1135 HB3 HIS 133 3HB HIS 133 -15.657 5.579 5.074 1136 HD1 HIS 133 HD1 HIS 133 -14.563 5.003 2.361 1137 HD2 HIS 133 HD2 HIS 133 -16.247 8.665 3.351 1138 HE1 HIS 133 HE1 HIS 133 -15.264 6.027 0.187 1139 HE2 HIS 133 HE2 HIS 133 -16.229 8.261 0.805 1140 H HIS 134 H HIS 134 -16.373 7.960 7.885 1141 HA HIS 134 HA HIS 134 -14.402 7.270 9.834 1142 HB2 HIS 134 2HB HIS 134 -16.174 7.797 11.512 1143 HB3 HIS 134 3HB HIS 134 -15.968 9.068 10.314 1144 HD1 HIS 134 HD1 HIS 134 -17.884 9.232 8.451 1145 HD2 HIS 134 HD2 HIS 134 -18.754 6.802 11.716 1146 HE1 HIS 134 HE1 HIS 134 -20.360 8.858 8.373 1147 HE2 HIS 134 HE2 HIS 134 -20.874 7.503 10.425 Start of MODEL 20 1 H1 MET 1 1H MET 1 -1.291 14.648 -3.449 2 H2 MET 1 2H MET 1 -1.234 14.300 -1.798 3 H3 MET 1 3H MET 1 -0.469 13.279 -2.896 4 HA MET 1 HA MET 1 1.076 14.973 -3.480 5 HB2 MET 1 2HB MET 1 -0.240 16.658 -1.292 6 HB3 MET 1 3HB MET 1 1.115 17.135 -2.309 7 HG2 MET 1 2HG MET 1 -0.884 18.267 -3.070 8 HG3 MET 1 3HG MET 1 -0.411 17.081 -4.288 9 HE1 MET 1 1HE MET 1 -2.943 17.336 -5.366 10 HE2 MET 1 2HE MET 1 -3.339 18.489 -4.092 11 HE3 MET 1 3HE MET 1 -4.401 17.112 -4.400 12 H GLY 2 H GLY 2 2.615 13.558 -2.728 13 HA2 GLY 2 2HA GLY 2 3.958 12.322 -1.330 14 HA3 GLY 2 3HA GLY 2 3.646 13.552 -0.107 15 H THR 3 H THR 3 1.694 11.044 -1.750 16 HA THR 3 HA THR 3 0.550 10.246 0.875 17 HB THR 3 HB THR 3 -0.789 10.115 -1.876 18 HG1 THR 3 HG1 THR 3 -0.876 12.068 0.184 19 HG21 THR 3 1HG2 THR 3 -1.696 8.488 -0.215 20 HG22 THR 3 2HG2 THR 3 -2.866 9.751 -0.613 21 HG23 THR 3 3HG2 THR 3 -1.979 9.818 0.911 22 H VAL 4 H VAL 4 1.350 8.283 1.465 23 HA VAL 4 HA VAL 4 2.440 6.475 -0.611 24 HB VAL 4 HB VAL 4 2.958 6.499 2.406 25 HG11 VAL 4 1HG1 VAL 4 4.801 4.910 1.915 26 HG12 VAL 4 2HG1 VAL 4 4.309 4.865 0.220 27 HG13 VAL 4 3HG1 VAL 4 3.233 4.230 1.465 28 HG21 VAL 4 1HG2 VAL 4 5.201 7.379 1.807 29 HG22 VAL 4 2HG2 VAL 4 3.915 8.483 1.311 30 HG23 VAL 4 3HG2 VAL 4 4.712 7.459 0.113 31 H VAL 5 H VAL 5 1.513 4.549 -0.995 32 HA VAL 5 HA VAL 5 -0.563 3.494 0.845 33 HB VAL 5 HB VAL 5 -0.675 3.552 -2.216 34 HG11 VAL 5 1HG1 VAL 5 -2.706 2.412 -0.260 35 HG12 VAL 5 2HG1 VAL 5 -1.684 1.477 -1.355 36 HG13 VAL 5 3HG1 VAL 5 -2.925 2.549 -2.006 37 HG21 VAL 5 1HG2 VAL 5 -1.167 5.755 -1.221 38 HG22 VAL 5 2HG2 VAL 5 -2.402 5.026 -0.191 39 HG23 VAL 5 3HG2 VAL 5 -2.616 5.050 -1.942 40 H ILE 6 H ILE 6 0.101 1.554 1.593 41 HA ILE 6 HA ILE 6 2.053 -0.040 0.025 42 HB ILE 6 HB ILE 6 1.504 -0.106 3.031 43 HG12 ILE 6 2HG1 ILE 6 2.610 2.002 2.477 44 HG13 ILE 6 3HG1 ILE 6 3.790 0.948 3.247 45 HG21 ILE 6 1HG2 ILE 6 2.284 -2.293 2.244 46 HG22 ILE 6 2HG2 ILE 6 3.545 -1.509 3.196 47 HG23 ILE 6 3HG2 ILE 6 3.662 -1.539 1.435 48 HD11 ILE 6 1HD1 ILE 6 4.786 2.133 1.404 49 HD12 ILE 6 2HD1 ILE 6 3.562 1.527 0.292 50 HD13 ILE 6 3HD1 ILE 6 4.725 0.412 1.020 51 H VAL 7 H VAL 7 0.809 -1.354 -1.185 52 HA VAL 7 HA VAL 7 -1.364 -2.938 0.032 53 HB VAL 7 HB VAL 7 -0.662 -2.561 -2.919 54 HG11 VAL 7 1HG1 VAL 7 -3.073 -3.923 -1.651 55 HG12 VAL 7 2HG1 VAL 7 -1.759 -4.731 -2.511 56 HG13 VAL 7 3HG1 VAL 7 -2.844 -3.641 -3.378 57 HG21 VAL 7 1HG2 VAL 7 -2.920 -1.314 -1.300 58 HG22 VAL 7 2HG2 VAL 7 -2.683 -1.139 -3.041 59 HG23 VAL 7 3HG2 VAL 7 -1.497 -0.466 -1.921 60 H VAL 8 H VAL 8 -0.533 -4.756 0.924 61 HA VAL 8 HA VAL 8 1.632 -6.238 -0.456 62 HB VAL 8 HB VAL 8 0.741 -6.484 2.461 63 HG11 VAL 8 1HG1 VAL 8 1.743 -8.560 1.603 64 HG12 VAL 8 2HG1 VAL 8 2.819 -7.794 2.775 65 HG13 VAL 8 3HG1 VAL 8 3.161 -7.666 1.048 66 HG21 VAL 8 1HG2 VAL 8 1.774 -4.272 2.078 67 HG22 VAL 8 2HG2 VAL 8 3.189 -5.045 1.363 68 HG23 VAL 8 3HG2 VAL 8 2.823 -5.291 3.072 69 H SER 9 H SER 9 1.042 -8.095 -1.447 70 HA SER 9 HA SER 9 -0.994 -9.838 -0.236 71 HB2 SER 9 2HB SER 9 -0.965 -9.187 -3.224 72 HB3 SER 9 3HB SER 9 -2.042 -10.328 -2.419 73 HG SER 9 HG SER 9 -2.338 -8.079 -1.135 74 H ARG 10 H ARG 10 -0.530 -11.996 -0.492 75 HA ARG 10 HA ARG 10 2.176 -12.767 -0.715 76 HB2 ARG 10 2HB ARG 10 0.493 -13.918 0.692 77 HB3 ARG 10 3HB ARG 10 -0.376 -14.435 -0.744 78 HG2 ARG 10 2HG ARG 10 1.784 -15.728 -1.365 79 HG3 ARG 10 3HG ARG 10 2.296 -15.420 0.294 80 HD2 ARG 10 2HD ARG 10 0.224 -16.564 1.106 81 HD3 ARG 10 3HD ARG 10 -0.202 -16.925 -0.570 82 HE ARG 10 HE ARG 10 2.325 -17.946 -0.257 83 HH11 ARG 10 1HH1 ARG 10 -0.754 -18.523 1.361 84 HH12 ARG 10 2HH1 ARG 10 -0.365 -20.169 1.749 85 HH21 ARG 10 1HH2 ARG 10 2.809 -20.088 0.272 86 HH22 ARG 10 2HH2 ARG 10 1.645 -21.048 1.133 87 H ASP 11 H ASP 11 -0.244 -12.415 -3.154 88 HA ASP 11 HA ASP 11 1.178 -14.168 -5.079 89 HB2 ASP 11 2HB ASP 11 -0.928 -15.190 -4.328 90 HB3 ASP 11 3HB ASP 11 -1.815 -13.724 -4.712 91 H GLU 12 H GLU 12 1.170 -13.555 -7.260 92 HA GLU 12 HA GLU 12 1.477 -10.804 -7.857 93 HB2 GLU 12 2HB GLU 12 1.533 -13.327 -9.541 94 HB3 GLU 12 3HB GLU 12 1.605 -11.749 -10.319 95 HG2 GLU 12 2HG GLU 12 3.577 -12.783 -8.266 96 HG3 GLU 12 3HG GLU 12 3.831 -12.755 -10.008 97 H ARG 13 H ARG 13 -1.060 -13.188 -8.679 98 HA ARG 13 HA ARG 13 -2.332 -11.616 -10.652 99 HB2 ARG 13 2HB ARG 13 -3.538 -13.843 -8.956 100 HB3 ARG 13 3HB ARG 13 -4.359 -13.071 -10.304 101 HG2 ARG 13 2HG ARG 13 -3.539 -15.161 -11.077 102 HG3 ARG 13 3HG ARG 13 -2.547 -13.909 -11.825 103 HD2 ARG 13 2HD ARG 13 -0.653 -14.473 -10.530 104 HD3 ARG 13 3HD ARG 13 -1.618 -15.274 -9.287 105 HE ARG 13 HE ARG 13 -1.289 -16.409 -12.005 106 HH11 ARG 13 1HH1 ARG 13 -1.142 -16.792 -8.510 107 HH12 ARG 13 2HH1 ARG 13 -0.827 -18.495 -8.596 108 HH21 ARG 13 1HH2 ARG 13 -0.916 -18.634 -12.095 109 HH22 ARG 13 2HH2 ARG 13 -0.697 -19.539 -10.632 110 H ILE 14 H ILE 14 -2.819 -11.920 -7.147 111 HA ILE 14 HA ILE 14 -5.105 -10.300 -6.866 112 HB ILE 14 HB ILE 14 -2.828 -10.569 -4.831 113 HG12 ILE 14 2HG1 ILE 14 -5.285 -12.360 -5.217 114 HG13 ILE 14 3HG1 ILE 14 -3.612 -12.822 -5.512 115 HG21 ILE 14 1HG2 ILE 14 -5.777 -9.877 -4.426 116 HG22 ILE 14 2HG2 ILE 14 -4.429 -8.743 -4.311 117 HG23 ILE 14 3HG2 ILE 14 -4.579 -10.055 -3.142 118 HD11 ILE 14 1HD1 ILE 14 -4.808 -12.134 -2.825 119 HD12 ILE 14 2HD1 ILE 14 -3.126 -12.581 -3.125 120 HD13 ILE 14 3HD1 ILE 14 -4.415 -13.745 -3.427 121 H LEU 15 H LEU 15 -1.638 -9.438 -6.499 122 HA LEU 15 HA LEU 15 -1.857 -6.712 -5.981 123 HB2 LEU 15 2HB LEU 15 0.360 -8.274 -7.340 124 HB3 LEU 15 3HB LEU 15 0.532 -6.587 -6.884 125 HG LEU 15 HG LEU 15 0.046 -8.868 -4.922 126 HD11 LEU 15 1HD1 LEU 15 2.391 -8.571 -4.278 127 HD12 LEU 15 2HD1 LEU 15 2.605 -7.363 -5.547 128 HD13 LEU 15 3HD1 LEU 15 2.250 -9.042 -5.972 129 HD21 LEU 15 1HD2 LEU 15 -0.847 -6.729 -4.089 130 HD22 LEU 15 2HD2 LEU 15 0.701 -5.942 -4.398 131 HD23 LEU 15 3HD2 LEU 15 0.584 -7.210 -3.177 132 H GLU 16 H GLU 16 -1.702 -8.354 -9.145 133 HA GLU 16 HA GLU 16 -1.306 -5.886 -10.606 134 HB2 GLU 16 2HB GLU 16 -1.274 -7.255 -12.623 135 HB3 GLU 16 3HB GLU 16 -0.239 -7.945 -11.380 136 HG2 GLU 16 2HG GLU 16 -2.152 -9.528 -10.835 137 HG3 GLU 16 3HG GLU 16 -2.935 -8.952 -12.308 138 H GLU 17 H GLU 17 -4.087 -7.974 -9.831 139 HA GLU 17 HA GLU 17 -5.994 -6.698 -11.489 140 HB2 GLU 17 2HB GLU 17 -6.368 -7.867 -8.695 141 HB3 GLU 17 3HB GLU 17 -7.688 -7.352 -9.737 142 HG2 GLU 17 2HG GLU 17 -5.769 -9.622 -10.235 143 HG3 GLU 17 3HG GLU 17 -7.461 -9.749 -9.788 144 H LEU 18 H LEU 18 -4.870 -6.049 -8.200 145 HA LEU 18 HA LEU 18 -6.402 -3.746 -7.641 146 HB2 LEU 18 2HB LEU 18 -3.722 -4.625 -6.488 147 HB3 LEU 18 3HB LEU 18 -4.796 -3.437 -5.763 148 HG LEU 18 HG LEU 18 -5.414 -6.399 -6.130 149 HD11 LEU 18 1HD1 LEU 18 -3.763 -6.021 -4.365 150 HD12 LEU 18 2HD1 LEU 18 -5.298 -6.579 -3.702 151 HD13 LEU 18 3HD1 LEU 18 -4.849 -4.874 -3.575 152 HD21 LEU 18 1HD2 LEU 18 -7.448 -5.064 -6.342 153 HD22 LEU 18 2HD2 LEU 18 -7.106 -4.261 -4.809 154 HD23 LEU 18 3HD2 LEU 18 -7.454 -5.991 -4.842 155 H LEU 19 H LEU 19 -3.292 -4.208 -9.213 156 HA LEU 19 HA LEU 19 -2.380 -1.537 -9.352 157 HB2 LEU 19 2HB LEU 19 -0.870 -3.399 -9.737 158 HB3 LEU 19 3HB LEU 19 -1.837 -3.977 -11.081 159 HG LEU 19 HG LEU 19 -1.166 -1.968 -12.419 160 HD11 LEU 19 1HD1 LEU 19 -0.767 -0.374 -10.610 161 HD12 LEU 19 2HD1 LEU 19 0.642 -0.504 -11.660 162 HD13 LEU 19 3HD1 LEU 19 0.643 -1.295 -10.080 163 HD21 LEU 19 1HD2 LEU 19 1.174 -3.571 -11.335 164 HD22 LEU 19 2HD2 LEU 19 1.144 -2.665 -12.851 165 HD23 LEU 19 3HD2 LEU 19 0.091 -4.062 -12.642 166 H GLU 20 H GLU 20 -4.222 -3.567 -11.631 167 HA GLU 20 HA GLU 20 -4.570 -1.676 -13.691 168 HB2 GLU 20 2HB GLU 20 -6.241 -4.101 -12.905 169 HB3 GLU 20 3HB GLU 20 -6.489 -3.189 -14.394 170 HG2 GLU 20 2HG GLU 20 -4.334 -3.832 -15.257 171 HG3 GLU 20 3HG GLU 20 -3.841 -4.505 -13.702 172 H VAL 21 H VAL 21 -6.448 -2.324 -10.744 173 HA VAL 21 HA VAL 21 -8.683 -0.690 -11.259 174 HB VAL 21 HB VAL 21 -7.397 -1.408 -8.574 175 HG11 VAL 21 1HG1 VAL 21 -10.164 -0.239 -9.087 176 HG12 VAL 21 2HG1 VAL 21 -8.827 0.578 -8.274 177 HG13 VAL 21 3HG1 VAL 21 -9.581 -0.833 -7.530 178 HG21 VAL 21 1HG2 VAL 21 -9.771 -2.658 -10.019 179 HG22 VAL 21 2HG2 VAL 21 -9.171 -3.137 -8.428 180 HG23 VAL 21 3HG2 VAL 21 -8.171 -3.373 -9.860 181 H VAL 22 H VAL 22 -5.482 0.083 -9.869 182 HA VAL 22 HA VAL 22 -5.991 2.811 -9.242 183 HB VAL 22 HB VAL 22 -3.280 1.547 -9.883 184 HG11 VAL 22 1HG1 VAL 22 -3.192 4.005 -9.938 185 HG12 VAL 22 2HG1 VAL 22 -2.346 3.407 -8.510 186 HG13 VAL 22 3HG1 VAL 22 -3.962 4.094 -8.352 187 HG21 VAL 22 1HG2 VAL 22 -4.414 0.329 -8.055 188 HG22 VAL 22 2HG2 VAL 22 -4.636 1.840 -7.174 189 HG23 VAL 22 3HG2 VAL 22 -3.008 1.214 -7.454 190 H LEU 23 H LEU 23 -4.565 1.219 -12.099 191 HA LEU 23 HA LEU 23 -3.694 3.593 -13.406 192 HB2 LEU 23 2HB LEU 23 -4.177 0.824 -14.574 193 HB3 LEU 23 3HB LEU 23 -3.272 2.112 -15.359 194 HG LEU 23 HG LEU 23 -2.466 0.660 -12.802 195 HD11 LEU 23 1HD1 LEU 23 -2.188 -0.733 -14.785 196 HD12 LEU 23 2HD1 LEU 23 -0.625 -0.270 -14.119 197 HD13 LEU 23 3HD1 LEU 23 -1.236 0.531 -15.570 198 HD21 LEU 23 1HD2 LEU 23 -1.729 2.991 -12.693 199 HD22 LEU 23 2HD2 LEU 23 -0.965 2.848 -14.277 200 HD23 LEU 23 3HD2 LEU 23 -0.353 1.909 -12.913 201 H LYS 24 H LYS 24 -6.645 1.652 -13.655 202 HA LYS 24 HA LYS 24 -7.710 3.049 -15.961 203 HB2 LYS 24 2HB LYS 24 -9.038 1.052 -14.077 204 HB3 LYS 24 3HB LYS 24 -9.745 1.645 -15.576 205 HG2 LYS 24 2HG LYS 24 -7.214 -0.017 -15.337 206 HG3 LYS 24 3HG LYS 24 -8.794 -0.612 -15.842 207 HD2 LYS 24 2HD LYS 24 -7.139 1.465 -17.336 208 HD3 LYS 24 3HD LYS 24 -7.242 -0.244 -17.751 209 HE2 LYS 24 2HE LYS 24 -9.672 0.018 -18.183 210 HE3 LYS 24 3HE LYS 24 -9.548 1.736 -17.789 211 HZ1 LYS 24 1HZ LYS 24 -9.487 1.446 -20.144 212 HZ2 LYS 24 2HZ LYS 24 -8.225 0.333 -20.040 213 HZ3 LYS 24 3HZ LYS 24 -7.957 1.948 -19.638 214 H SER 25 H SER 25 -7.931 3.333 -12.490 215 HA SER 25 HA SER 25 -10.188 5.126 -12.446 216 HB2 SER 25 2HB SER 25 -9.640 3.720 -10.480 217 HB3 SER 25 3HB SER 25 -8.098 4.554 -10.291 218 HG SER 25 HG SER 25 -9.116 6.302 -9.549 219 H ASP 26 H ASP 26 -6.706 5.656 -11.628 220 HA ASP 26 HA ASP 26 -6.824 8.328 -12.862 221 HB2 ASP 26 2HB ASP 26 -5.903 7.781 -10.008 222 HB3 ASP 26 3HB ASP 26 -5.671 9.312 -10.848 223 HA PRO 27 HA PRO 27 -2.682 6.823 -14.123 224 HB2 PRO 27 2HB PRO 27 -2.286 8.509 -16.192 225 HB3 PRO 27 3HB PRO 27 -3.537 7.249 -16.285 226 HG2 PRO 27 2HG PRO 27 -3.866 10.177 -15.688 227 HG3 PRO 27 3HG PRO 27 -4.832 9.135 -16.757 228 HD2 PRO 27 2HD PRO 27 -5.557 9.774 -14.151 229 HD3 PRO 27 3HD PRO 27 -6.122 8.330 -15.019 230 H ASN 28 H ASN 28 -3.432 9.407 -12.275 231 HA ASN 28 HA ASN 28 -1.018 11.015 -12.505 232 HB2 ASN 28 2HB ASN 28 -3.272 11.153 -10.453 233 HB3 ASN 28 3HB ASN 28 -1.999 12.351 -10.659 234 HD21 ASN 28 1HD2 ASN 28 -2.131 12.202 -13.637 235 HD22 ASN 28 2HD2 ASN 28 -3.575 13.049 -14.056 236 H VAL 29 H VAL 29 -1.961 8.201 -10.796 237 HA VAL 29 HA VAL 29 -0.308 8.685 -8.443 238 HB VAL 29 HB VAL 29 -1.843 6.155 -9.194 239 HG11 VAL 29 1HG1 VAL 29 -0.162 5.785 -7.436 240 HG12 VAL 29 2HG1 VAL 29 -1.790 5.681 -6.762 241 HG13 VAL 29 3HG1 VAL 29 -0.818 7.132 -6.497 242 HG21 VAL 29 1HG2 VAL 29 -3.407 8.062 -9.150 243 HG22 VAL 29 2HG2 VAL 29 -2.832 8.519 -7.545 244 HG23 VAL 29 3HG2 VAL 29 -3.693 6.994 -7.770 245 H LYS 30 H LYS 30 1.800 8.146 -8.357 246 HA LYS 30 HA LYS 30 3.243 6.609 -10.279 247 HB2 LYS 30 2HB LYS 30 4.381 8.300 -8.944 248 HB3 LYS 30 3HB LYS 30 3.901 7.526 -7.443 249 HG2 LYS 30 2HG LYS 30 6.279 7.177 -7.891 250 HG3 LYS 30 3HG LYS 30 5.417 5.635 -7.918 251 HD2 LYS 30 2HD LYS 30 5.442 5.644 -10.384 252 HD3 LYS 30 3HD LYS 30 6.220 7.231 -10.389 253 HE2 LYS 30 2HE LYS 30 8.211 6.271 -9.310 254 HE3 LYS 30 3HE LYS 30 7.430 4.687 -9.252 255 HZ1 LYS 30 1HZ LYS 30 8.112 6.190 -11.719 256 HZ2 LYS 30 2HZ LYS 30 7.362 4.678 -11.659 257 HZ3 LYS 30 3HZ LYS 30 8.939 4.856 -11.103 258 H THR 31 H THR 31 3.230 4.389 -10.464 259 HA THR 31 HA THR 31 2.591 2.743 -8.080 260 HB THR 31 HB THR 31 1.425 1.157 -9.767 261 HG1 THR 31 HG1 THR 31 1.046 3.508 -11.312 262 HG21 THR 31 1HG2 THR 31 -0.727 2.352 -9.632 263 HG22 THR 31 2HG2 THR 31 0.116 3.836 -9.184 264 HG23 THR 31 3HG2 THR 31 0.148 2.445 -8.098 265 H VAL 32 H VAL 32 3.835 1.089 -7.702 266 HA VAL 32 HA VAL 32 5.642 -0.086 -9.728 267 HB VAL 32 HB VAL 32 6.609 0.769 -6.940 268 HG11 VAL 32 1HG1 VAL 32 7.723 -1.284 -7.713 269 HG12 VAL 32 2HG1 VAL 32 8.860 0.066 -7.692 270 HG13 VAL 32 3HG1 VAL 32 8.180 -0.490 -9.224 271 HG21 VAL 32 1HG2 VAL 32 8.075 2.411 -8.054 272 HG22 VAL 32 2HG2 VAL 32 6.372 2.758 -8.364 273 HG23 VAL 32 3HG2 VAL 32 7.358 1.998 -9.614 274 H ARG 33 H ARG 33 5.791 -2.342 -9.433 275 HA ARG 33 HA ARG 33 4.664 -3.482 -6.935 276 HB2 ARG 33 2HB ARG 33 3.314 -4.172 -8.839 277 HB3 ARG 33 3HB ARG 33 4.734 -4.676 -9.743 278 HG2 ARG 33 2HG ARG 33 5.056 -6.608 -8.400 279 HG3 ARG 33 3HG ARG 33 4.027 -5.990 -7.108 280 HD2 ARG 33 2HD ARG 33 2.996 -7.851 -8.411 281 HD3 ARG 33 3HD ARG 33 2.037 -6.369 -8.408 282 HE ARG 33 HE ARG 33 3.406 -6.120 -10.700 283 HH11 ARG 33 1HH1 ARG 33 1.615 -8.889 -9.460 284 HH12 ARG 33 2HH1 ARG 33 1.174 -9.458 -11.035 285 HH21 ARG 33 1HH2 ARG 33 2.710 -6.801 -12.745 286 HH22 ARG 33 2HH2 ARG 33 1.797 -8.271 -12.902 287 H THR 34 H THR 34 6.571 -3.233 -5.835 288 HA THR 34 HA THR 34 8.742 -5.134 -6.484 289 HB THR 34 HB THR 34 9.640 -2.884 -6.795 290 HG1 THR 34 HG1 THR 34 11.146 -4.211 -5.895 291 HG21 THR 34 1HG2 THR 34 8.746 -2.272 -3.953 292 HG22 THR 34 2HG2 THR 34 8.076 -1.561 -5.423 293 HG23 THR 34 3HG2 THR 34 9.745 -1.222 -4.961 294 H ASP 35 H ASP 35 9.417 -6.442 -4.837 295 HA ASP 35 HA ASP 35 7.925 -6.408 -2.298 296 HB2 ASP 35 2HB ASP 35 8.715 -8.675 -1.952 297 HB3 ASP 35 3HB ASP 35 8.133 -8.551 -3.607 298 H ASP 36 H ASP 36 10.985 -5.567 -3.620 299 HA ASP 36 HA ASP 36 12.656 -5.892 -1.316 300 HB2 ASP 36 2HB ASP 36 12.992 -4.142 -3.792 301 HB3 ASP 36 3HB ASP 36 14.247 -4.397 -2.577 302 H LYS 37 H LYS 37 12.072 -4.816 0.478 303 HA LYS 37 HA LYS 37 10.839 -2.347 0.780 304 HB2 LYS 37 2HB LYS 37 11.713 -2.315 3.123 305 HB3 LYS 37 3HB LYS 37 10.917 -3.808 2.674 306 HG2 LYS 37 2HG LYS 37 13.936 -3.558 2.660 307 HG3 LYS 37 3HG LYS 37 13.030 -3.954 4.122 308 HD2 LYS 37 2HD LYS 37 12.004 -5.896 2.754 309 HD3 LYS 37 3HD LYS 37 13.280 -5.575 1.569 310 HE2 LYS 37 2HE LYS 37 13.734 -6.262 4.489 311 HE3 LYS 37 3HE LYS 37 13.868 -7.396 3.147 312 HZ1 LYS 37 1HZ LYS 37 16.025 -6.598 3.760 313 HZ2 LYS 37 2HZ LYS 37 15.543 -4.990 3.592 314 HZ3 LYS 37 3HZ LYS 37 15.640 -5.985 2.233 315 H GLU 38 H GLU 38 14.196 -3.040 0.164 316 HA GLU 38 HA GLU 38 15.394 -0.545 0.597 317 HB2 GLU 38 2HB GLU 38 15.956 -2.694 -1.494 318 HB3 GLU 38 3HB GLU 38 16.949 -1.250 -1.351 319 HG2 GLU 38 2HG GLU 38 18.004 -3.147 -0.234 320 HG3 GLU 38 3HG GLU 38 17.598 -1.878 0.919 321 H LYS 39 H LYS 39 13.954 -1.870 -2.367 322 HA LYS 39 HA LYS 39 14.150 0.453 -3.953 323 HB2 LYS 39 2HB LYS 39 14.005 -1.811 -4.904 324 HB3 LYS 39 3HB LYS 39 12.390 -2.018 -4.247 325 HG2 LYS 39 2HG LYS 39 12.231 -1.590 -6.616 326 HG3 LYS 39 3HG LYS 39 11.575 -0.198 -5.752 327 HD2 LYS 39 2HD LYS 39 13.643 1.065 -6.159 328 HD3 LYS 39 3HD LYS 39 14.384 -0.347 -6.924 329 HE2 LYS 39 2HE LYS 39 11.962 1.178 -7.947 330 HE3 LYS 39 3HE LYS 39 13.593 1.239 -8.618 331 HZ1 LYS 39 1HZ LYS 39 13.403 -1.128 -9.151 332 HZ2 LYS 39 2HZ LYS 39 12.199 -0.221 -9.908 333 HZ3 LYS 39 3HZ LYS 39 11.822 -1.149 -8.551 334 H VAL 40 H VAL 40 11.534 -0.839 -1.895 335 HA VAL 40 HA VAL 40 9.403 0.779 -2.690 336 HB VAL 40 HB VAL 40 9.948 -0.295 0.127 337 HG11 VAL 40 1HG1 VAL 40 7.340 0.680 -1.108 338 HG12 VAL 40 2HG1 VAL 40 8.247 1.479 0.178 339 HG13 VAL 40 3HG1 VAL 40 7.491 -0.087 0.474 340 HG21 VAL 40 1HG2 VAL 40 9.870 -2.120 -1.522 341 HG22 VAL 40 2HG2 VAL 40 8.321 -1.545 -2.121 342 HG23 VAL 40 3HG2 VAL 40 8.452 -2.178 -0.478 343 H LYS 41 H LYS 41 11.796 1.277 -0.074 344 HA LYS 41 HA LYS 41 10.864 3.768 0.838 345 HB2 LYS 41 2HB LYS 41 13.654 2.561 0.949 346 HB3 LYS 41 3HB LYS 41 13.210 4.062 1.762 347 HG2 LYS 41 2HG LYS 41 11.571 2.886 3.134 348 HG3 LYS 41 3HG LYS 41 11.922 1.367 2.295 349 HD2 LYS 41 2HD LYS 41 14.275 1.491 3.107 350 HD3 LYS 41 3HD LYS 41 13.889 2.981 3.972 351 HE2 LYS 41 2HE LYS 41 12.327 1.771 5.408 352 HE3 LYS 41 3HE LYS 41 12.601 0.286 4.494 353 HZ1 LYS 41 1HZ LYS 41 14.688 1.745 6.023 354 HZ2 LYS 41 2HZ LYS 41 14.887 0.277 5.216 355 HZ3 LYS 41 3HZ LYS 41 13.871 0.374 6.560 356 H GLU 42 H GLU 42 13.256 2.935 -1.665 357 HA GLU 42 HA GLU 42 14.197 5.503 -2.317 358 HB2 GLU 42 2HB GLU 42 13.893 3.057 -4.113 359 HB3 GLU 42 3HB GLU 42 14.823 4.497 -4.533 360 HG2 GLU 42 2HG GLU 42 16.350 4.084 -2.654 361 HG3 GLU 42 3HG GLU 42 15.402 2.674 -2.181 362 H GLU 43 H GLU 43 11.409 3.675 -3.527 363 HA GLU 43 HA GLU 43 10.596 5.617 -5.445 364 HB2 GLU 43 2HB GLU 43 9.002 3.353 -4.167 365 HB3 GLU 43 3HB GLU 43 8.483 4.296 -5.560 366 HG2 GLU 43 2HG GLU 43 10.820 2.376 -5.411 367 HG3 GLU 43 3HG GLU 43 9.326 2.168 -6.319 368 H ILE 44 H ILE 44 9.831 5.067 -2.017 369 HA ILE 44 HA ILE 44 7.755 6.984 -1.719 370 HB ILE 44 HB ILE 44 9.766 5.935 0.344 371 HG12 ILE 44 2HG1 ILE 44 6.834 5.191 -0.090 372 HG13 ILE 44 3HG1 ILE 44 8.206 4.214 -0.586 373 HG21 ILE 44 1HG2 ILE 44 8.261 6.817 2.115 374 HG22 ILE 44 2HG2 ILE 44 7.259 7.578 0.880 375 HG23 ILE 44 3HG2 ILE 44 8.920 8.121 1.116 376 HD11 ILE 44 1HD1 ILE 44 8.852 3.958 1.774 377 HD12 ILE 44 2HD1 ILE 44 7.240 3.332 1.430 378 HD13 ILE 44 3HD1 ILE 44 7.425 4.885 2.247 379 H GLU 45 H GLU 45 11.305 7.182 -1.584 380 HA GLU 45 HA GLU 45 11.581 9.865 -0.699 381 HB2 GLU 45 2HB GLU 45 13.489 8.128 -2.330 382 HB3 GLU 45 3HB GLU 45 13.917 9.694 -1.645 383 HG2 GLU 45 2HG GLU 45 13.526 8.814 0.620 384 HG3 GLU 45 3HG GLU 45 13.095 7.249 -0.059 385 H LYS 46 H LYS 46 11.302 8.396 -3.903 386 HA LYS 46 HA LYS 46 11.742 10.743 -5.457 387 HB2 LYS 46 2HB LYS 46 10.392 8.085 -6.096 388 HB3 LYS 46 3HB LYS 46 10.665 9.341 -7.303 389 HG2 LYS 46 2HG LYS 46 13.032 9.113 -7.187 390 HG3 LYS 46 3HG LYS 46 12.957 8.213 -5.672 391 HD2 LYS 46 2HD LYS 46 13.516 6.710 -7.527 392 HD3 LYS 46 3HD LYS 46 11.946 6.294 -6.840 393 HE2 LYS 46 2HE LYS 46 10.827 7.454 -8.722 394 HE3 LYS 46 3HE LYS 46 12.401 7.862 -9.403 395 HZ1 LYS 46 1HZ LYS 46 12.864 5.543 -9.715 396 HZ2 LYS 46 2HZ LYS 46 11.380 5.903 -10.436 397 HZ3 LYS 46 3HZ LYS 46 11.426 5.092 -8.954 398 H ALA 47 H ALA 47 8.772 9.102 -4.311 399 HA ALA 47 HA ALA 47 6.927 10.965 -5.438 400 HB1 ALA 47 1HB ALA 47 5.245 9.821 -4.052 401 HB2 ALA 47 2HB ALA 47 6.530 8.991 -3.163 402 HB3 ALA 47 3HB ALA 47 6.286 8.663 -4.880 403 H ARG 48 H ARG 48 8.777 10.915 -2.497 404 HA ARG 48 HA ARG 48 7.389 12.841 -0.934 405 HB2 ARG 48 2HB ARG 48 9.030 11.264 0.015 406 HB3 ARG 48 3HB ARG 48 10.306 11.951 -0.971 407 HG2 ARG 48 2HG ARG 48 10.575 12.689 1.312 408 HG3 ARG 48 3HG ARG 48 10.139 14.074 0.308 409 HD2 ARG 48 2HD ARG 48 7.891 14.088 1.170 410 HD3 ARG 48 3HD ARG 48 8.117 12.532 1.971 411 HE ARG 48 HE ARG 48 9.945 13.880 3.265 412 HH11 ARG 48 1HH1 ARG 48 6.763 15.081 2.348 413 HH12 ARG 48 2HH1 ARG 48 6.659 16.175 3.691 414 HH21 ARG 48 1HH2 ARG 48 9.788 15.260 5.037 415 HH22 ARG 48 2HH2 ARG 48 8.391 16.274 5.227 416 H LYS 49 H LYS 49 10.215 13.052 -3.110 417 HA LYS 49 HA LYS 49 10.628 15.872 -2.822 418 HB2 LYS 49 2HB LYS 49 11.655 13.920 -4.933 419 HB3 LYS 49 3HB LYS 49 12.235 15.574 -4.724 420 HG2 LYS 49 2HG LYS 49 13.086 15.045 -2.503 421 HG3 LYS 49 3HG LYS 49 12.425 13.409 -2.606 422 HD2 LYS 49 2HD LYS 49 13.936 12.936 -4.527 423 HD3 LYS 49 3HD LYS 49 14.612 14.563 -4.392 424 HE2 LYS 49 2HE LYS 49 15.443 14.031 -2.135 425 HE3 LYS 49 3HE LYS 49 14.739 12.416 -2.247 426 HZ1 LYS 49 1HZ LYS 49 16.924 13.505 -3.931 427 HZ2 LYS 49 2HZ LYS 49 16.216 11.984 -4.132 428 HZ3 LYS 49 3HZ LYS 49 17.065 12.338 -2.719 429 H GLN 50 H GLN 50 9.158 13.829 -5.333 430 HA GLN 50 HA GLN 50 8.414 15.903 -7.135 431 HB2 GLN 50 2HB GLN 50 7.448 13.033 -6.787 432 HB3 GLN 50 3HB GLN 50 6.846 14.081 -8.064 433 HG2 GLN 50 2HG GLN 50 9.785 13.399 -7.743 434 HG3 GLN 50 3HG GLN 50 8.666 12.462 -8.730 435 HE21 GLN 50 1HE2 GLN 50 10.258 15.565 -8.405 436 HE22 GLN 50 2HE2 GLN 50 9.996 16.073 -10.031 437 H GLY 51 H GLY 51 7.030 14.737 -4.173 438 HA2 GLY 51 2HA GLY 51 5.248 15.406 -2.917 439 HA3 GLY 51 3HA GLY 51 5.100 16.802 -3.980 440 H ARG 52 H ARG 52 4.827 13.331 -4.644 441 HA ARG 52 HA ARG 52 2.100 13.736 -5.718 442 HB2 ARG 52 2HB ARG 52 2.664 12.137 -7.525 443 HB3 ARG 52 3HB ARG 52 3.649 13.591 -7.595 444 HG2 ARG 52 2HG ARG 52 5.594 12.454 -6.847 445 HG3 ARG 52 3HG ARG 52 4.671 11.035 -6.325 446 HD2 ARG 52 2HD ARG 52 5.924 10.669 -8.453 447 HD3 ARG 52 3HD ARG 52 4.183 10.450 -8.638 448 HE ARG 52 HE ARG 52 4.134 12.748 -9.597 449 HH11 ARG 52 1HH1 ARG 52 7.127 10.913 -9.786 450 HH12 ARG 52 2HH1 ARG 52 7.711 11.792 -11.164 451 HH21 ARG 52 1HH2 ARG 52 4.917 13.912 -11.345 452 HH22 ARG 52 2HH2 ARG 52 6.447 13.498 -12.049 453 HA PRO 53 HA PRO 53 0.972 9.963 -3.475 454 HB2 PRO 53 2HB PRO 53 -0.822 8.766 -5.165 455 HB3 PRO 53 3HB PRO 53 -1.210 10.248 -4.263 456 HG2 PRO 53 2HG PRO 53 -0.281 9.984 -7.118 457 HG3 PRO 53 3HG PRO 53 -1.647 10.927 -6.467 458 HD2 PRO 53 2HD PRO 53 0.709 12.112 -7.006 459 HD3 PRO 53 3HD PRO 53 -0.255 12.601 -5.594 460 H ILE 54 H ILE 54 1.043 7.611 -3.601 461 HA ILE 54 HA ILE 54 2.262 6.302 -5.841 462 HB ILE 54 HB ILE 54 4.266 7.310 -4.818 463 HG12 ILE 54 2HG1 ILE 54 4.207 4.296 -4.353 464 HG13 ILE 54 3HG1 ILE 54 4.415 5.068 -5.922 465 HG21 ILE 54 1HG2 ILE 54 3.509 7.516 -2.482 466 HG22 ILE 54 2HG2 ILE 54 5.068 6.694 -2.569 467 HG23 ILE 54 3HG2 ILE 54 3.594 5.762 -2.291 468 HD11 ILE 54 1HD1 ILE 54 6.516 4.318 -5.055 469 HD12 ILE 54 2HD1 ILE 54 6.294 5.257 -3.581 470 HD13 ILE 54 3HD1 ILE 54 6.497 6.077 -5.132 471 H VAL 55 H VAL 55 1.737 4.173 -5.876 472 HA VAL 55 HA VAL 55 0.861 2.818 -3.404 473 HB VAL 55 HB VAL 55 -0.190 2.214 -6.218 474 HG11 VAL 55 1HG1 VAL 55 -1.042 1.158 -3.492 475 HG12 VAL 55 2HG1 VAL 55 -0.169 0.253 -4.733 476 HG13 VAL 55 3HG1 VAL 55 -1.830 0.779 -5.025 477 HG21 VAL 55 1HG2 VAL 55 -2.342 3.187 -5.540 478 HG22 VAL 55 2HG2 VAL 55 -1.068 4.404 -5.431 479 HG23 VAL 55 3HG2 VAL 55 -1.675 3.630 -3.968 480 H ILE 56 H ILE 56 2.263 1.280 -2.891 481 HA ILE 56 HA ILE 56 4.012 0.017 -4.901 482 HB ILE 56 HB ILE 56 4.310 0.189 -1.859 483 HG12 ILE 56 2HG1 ILE 56 4.852 2.324 -3.096 484 HG13 ILE 56 3HG1 ILE 56 6.243 1.637 -2.265 485 HG21 ILE 56 1HG2 ILE 56 6.516 -0.920 -2.178 486 HG22 ILE 56 2HG2 ILE 56 6.148 -1.157 -3.887 487 HG23 ILE 56 3HG2 ILE 56 5.177 -1.966 -2.655 488 HD11 ILE 56 1HD1 ILE 56 5.676 1.422 -5.224 489 HD12 ILE 56 2HD1 ILE 56 7.087 0.759 -4.389 490 HD13 ILE 56 3HD1 ILE 56 6.834 2.502 -4.451 491 H PHE 57 H PHE 57 3.690 -2.085 -5.326 492 HA PHE 57 HA PHE 57 1.787 -3.664 -3.723 493 HB2 PHE 57 2HB PHE 57 2.655 -3.986 -6.629 494 HB3 PHE 57 3HB PHE 57 1.518 -5.037 -5.793 495 HD1 PHE 57 HD1 PHE 57 -0.744 -4.221 -5.185 496 HD2 PHE 57 HD2 PHE 57 1.970 -1.747 -7.394 497 HE1 PHE 57 HE1 PHE 57 -2.591 -2.713 -5.785 498 HE2 PHE 57 HE2 PHE 57 0.108 -0.253 -7.986 499 HZ PHE 57 HZ PHE 57 -2.167 -0.736 -7.181 500 H ILE 58 H ILE 58 2.929 -4.781 -2.266 501 HA ILE 58 HA ILE 58 5.599 -5.877 -2.874 502 HB ILE 58 HB ILE 58 4.154 -5.632 -0.187 503 HG12 ILE 58 2HG1 ILE 58 6.397 -3.898 -1.323 504 HG13 ILE 58 3HG1 ILE 58 4.715 -3.405 -1.170 505 HG21 ILE 58 1HG2 ILE 58 7.060 -6.341 -0.747 506 HG22 ILE 58 2HG2 ILE 58 5.814 -7.474 -0.223 507 HG23 ILE 58 3HG2 ILE 58 6.322 -6.165 0.844 508 HD11 ILE 58 1HD1 ILE 58 4.897 -3.577 1.267 509 HD12 ILE 58 2HD1 ILE 58 6.060 -2.444 0.580 510 HD13 ILE 58 3HD1 ILE 58 6.595 -4.041 1.104 511 H ARG 59 H ARG 59 5.725 -8.021 -3.398 512 HA ARG 59 HA ARG 59 3.457 -9.779 -2.836 513 HB2 ARG 59 2HB ARG 59 4.560 -9.815 -5.110 514 HB3 ARG 59 3HB ARG 59 5.986 -10.527 -4.356 515 HG2 ARG 59 2HG ARG 59 4.554 -12.426 -3.545 516 HG3 ARG 59 3HG ARG 59 3.189 -11.714 -4.407 517 HD2 ARG 59 2HD ARG 59 4.113 -13.522 -5.711 518 HD3 ARG 59 3HD ARG 59 4.425 -11.993 -6.535 519 HE ARG 59 HE ARG 59 6.444 -13.507 -4.977 520 HH11 ARG 59 1HH1 ARG 59 5.665 -11.408 -7.687 521 HH12 ARG 59 2HH1 ARG 59 7.294 -11.390 -8.284 522 HH21 ARG 59 1HH2 ARG 59 8.542 -13.461 -5.739 523 HH22 ARG 59 2HH2 ARG 59 8.935 -12.562 -7.171 524 H GLY 60 H GLY 60 3.389 -10.708 -0.918 525 HA2 GLY 60 2HA GLY 60 3.876 -12.157 0.778 526 HA3 GLY 60 3HA GLY 60 5.177 -12.766 -0.228 527 H ALA 61 H ALA 61 4.449 -9.861 1.758 528 HA ALA 61 HA ALA 61 7.253 -9.558 2.535 529 HB1 ALA 61 1HB ALA 61 6.471 -7.532 3.699 530 HB2 ALA 61 2HB ALA 61 4.791 -7.974 3.368 531 HB3 ALA 61 3HB ALA 61 5.874 -7.568 2.042 532 H THR 62 H THR 62 7.525 -8.979 4.962 533 HA THR 62 HA THR 62 5.922 -10.642 6.789 534 HB THR 62 HB THR 62 7.915 -11.995 6.211 535 HG1 THR 62 HG1 THR 62 7.015 -11.889 8.431 536 HG21 THR 62 1HG2 THR 62 9.504 -10.187 5.637 537 HG22 THR 62 2HG2 THR 62 10.193 -11.285 6.834 538 HG23 THR 62 3HG2 THR 62 9.577 -9.712 7.340 539 H GLU 63 H GLU 63 6.985 -10.030 9.168 540 HA GLU 63 HA GLU 63 5.799 -7.580 9.714 541 HB2 GLU 63 2HB GLU 63 7.805 -9.007 11.531 542 HB3 GLU 63 3HB GLU 63 6.667 -7.765 12.016 543 HG2 GLU 63 2HG GLU 63 5.689 -9.743 12.782 544 HG3 GLU 63 3HG GLU 63 4.810 -9.374 11.304 545 H GLU 64 H GLU 64 9.276 -8.372 9.832 546 HA GLU 64 HA GLU 64 10.278 -5.898 10.600 547 HB2 GLU 64 2HB GLU 64 12.471 -6.749 9.851 548 HB3 GLU 64 3HB GLU 64 11.569 -7.980 10.731 549 HG2 GLU 64 2HG GLU 64 10.850 -8.907 8.467 550 HG3 GLU 64 3HG GLU 64 12.016 -7.806 7.737 551 H VAL 65 H VAL 65 9.347 -6.995 7.415 552 HA VAL 65 HA VAL 65 10.545 -4.895 5.889 553 HB VAL 65 HB VAL 65 8.275 -6.835 5.237 554 HG11 VAL 65 1HG1 VAL 65 8.706 -6.351 2.852 555 HG12 VAL 65 2HG1 VAL 65 9.864 -5.104 3.312 556 HG13 VAL 65 3HG1 VAL 65 8.159 -4.906 3.717 557 HG21 VAL 65 1HG2 VAL 65 11.233 -6.993 4.546 558 HG22 VAL 65 2HG2 VAL 65 9.995 -8.157 4.064 559 HG23 VAL 65 3HG2 VAL 65 10.408 -7.960 5.770 560 H VAL 66 H VAL 66 7.133 -5.590 6.827 561 HA VAL 66 HA VAL 66 6.129 -3.293 5.475 562 HB VAL 66 HB VAL 66 4.613 -4.918 7.565 563 HG11 VAL 66 1HG1 VAL 66 3.504 -2.810 6.919 564 HG12 VAL 66 2HG1 VAL 66 2.603 -4.192 6.295 565 HG13 VAL 66 3HG1 VAL 66 3.626 -3.246 5.212 566 HG21 VAL 66 1HG2 VAL 66 5.568 -6.445 5.870 567 HG22 VAL 66 2HG2 VAL 66 4.841 -5.484 4.581 568 HG23 VAL 66 3HG2 VAL 66 3.811 -6.353 5.725 569 H ARG 67 H ARG 67 6.596 -4.031 8.962 570 HA ARG 67 HA ARG 67 5.476 -1.722 10.065 571 HB2 ARG 67 2HB ARG 67 6.638 -2.243 12.124 572 HB3 ARG 67 3HB ARG 67 6.169 -3.765 11.376 573 HG2 ARG 67 2HG ARG 67 8.512 -4.011 10.504 574 HG3 ARG 67 3HG ARG 67 8.955 -2.541 11.369 575 HD2 ARG 67 2HD ARG 67 8.456 -3.626 13.514 576 HD3 ARG 67 3HD ARG 67 7.905 -5.078 12.670 577 HE ARG 67 HE ARG 67 10.625 -4.297 12.068 578 HH11 ARG 67 1HH1 ARG 67 8.641 -6.219 14.264 579 HH12 ARG 67 2HH1 ARG 67 9.957 -7.259 14.713 580 HH21 ARG 67 1HH2 ARG 67 12.305 -5.684 12.640 581 HH22 ARG 67 2HH2 ARG 67 12.031 -6.952 13.795 582 H ASP 68 H ASP 68 8.629 -2.272 8.674 583 HA ASP 68 HA ASP 68 9.970 0.055 9.675 584 HB2 ASP 68 2HB ASP 68 11.229 -1.957 9.292 585 HB3 ASP 68 3HB ASP 68 10.637 -2.102 7.644 586 H ILE 69 H ILE 69 8.513 -0.907 6.583 587 HA ILE 69 HA ILE 69 9.176 1.416 5.076 588 HB ILE 69 HB ILE 69 6.951 -0.641 4.728 589 HG12 ILE 69 2HG1 ILE 69 9.612 -0.395 3.242 590 HG13 ILE 69 3HG1 ILE 69 9.301 -1.529 4.554 591 HG21 ILE 69 1HG2 ILE 69 6.294 1.413 3.562 592 HG22 ILE 69 2HG2 ILE 69 6.725 0.164 2.395 593 HG23 ILE 69 3HG2 ILE 69 7.857 1.472 2.742 594 HD11 ILE 69 1HD1 ILE 69 7.933 -1.484 1.869 595 HD12 ILE 69 2HD1 ILE 69 7.540 -2.579 3.197 596 HD13 ILE 69 3HD1 ILE 69 9.128 -2.649 2.440 597 H VAL 70 H VAL 70 6.313 0.456 6.924 598 HA VAL 70 HA VAL 70 4.654 2.633 6.163 599 HB VAL 70 HB VAL 70 4.396 0.589 8.416 600 HG11 VAL 70 1HG1 VAL 70 2.028 1.276 8.633 601 HG12 VAL 70 2HG1 VAL 70 2.302 2.592 7.487 602 HG13 VAL 70 3HG1 VAL 70 3.119 2.603 9.051 603 HG21 VAL 70 1HG2 VAL 70 4.277 -0.335 6.120 604 HG22 VAL 70 2HG2 VAL 70 2.986 0.800 5.722 605 HG23 VAL 70 3HG2 VAL 70 2.711 -0.458 6.931 606 H GLU 71 H GLU 71 6.598 1.955 9.124 607 HA GLU 71 HA GLU 71 5.926 4.332 10.504 608 HB2 GLU 71 2HB GLU 71 7.777 3.908 11.993 609 HB3 GLU 71 3HB GLU 71 7.034 2.364 11.604 610 HG2 GLU 71 2HG GLU 71 8.848 1.830 10.061 611 HG3 GLU 71 3HG GLU 71 9.573 3.413 10.308 612 H TYR 72 H TYR 72 8.398 3.589 8.105 613 HA TYR 72 HA TYR 72 10.024 5.860 8.236 614 HB2 TYR 72 2HB TYR 72 10.722 3.892 7.011 615 HB3 TYR 72 3HB TYR 72 9.322 3.974 5.952 616 HD1 TYR 72 HD1 TYR 72 12.266 6.102 6.941 617 HD2 TYR 72 HD2 TYR 72 9.673 4.821 3.776 618 HE1 TYR 72 HE1 TYR 72 13.577 7.408 5.329 619 HE2 TYR 72 HE2 TYR 72 10.990 6.128 2.176 620 HH TYR 72 HH TYR 72 12.505 7.992 2.146 621 H ALA 73 H ALA 73 7.172 5.210 6.206 622 HA ALA 73 HA ALA 73 7.123 7.715 4.882 623 HB1 ALA 73 1HB ALA 73 4.897 5.712 5.318 624 HB2 ALA 73 2HB ALA 73 6.045 5.717 3.979 625 HB3 ALA 73 3HB ALA 73 4.880 7.034 4.138 626 H GLN 74 H GLN 74 5.640 6.578 7.908 627 HA GLN 74 HA GLN 74 4.040 8.874 8.466 628 HB2 GLN 74 2HB GLN 74 5.269 6.815 10.348 629 HB3 GLN 74 3HB GLN 74 4.089 8.028 10.844 630 HG2 GLN 74 2HG GLN 74 2.398 7.036 9.390 631 HG3 GLN 74 3HG GLN 74 3.573 5.877 8.768 632 HE21 GLN 74 1HE2 GLN 74 1.644 6.785 11.539 633 HE22 GLN 74 2HE2 GLN 74 1.794 5.286 12.376 634 H LYS 75 H LYS 75 7.411 8.058 9.132 635 HA LYS 75 HA LYS 75 8.050 10.274 10.826 636 HB2 LYS 75 2HB LYS 75 9.760 8.322 9.232 637 HB3 LYS 75 3HB LYS 75 10.465 9.577 10.249 638 HG2 LYS 75 2HG LYS 75 9.637 8.590 12.255 639 HG3 LYS 75 3HG LYS 75 8.497 7.566 11.380 640 HD2 LYS 75 2HD LYS 75 10.399 6.242 12.237 641 HD3 LYS 75 3HD LYS 75 10.345 6.221 10.475 642 HE2 LYS 75 2HE LYS 75 12.167 7.883 10.388 643 HE3 LYS 75 3HE LYS 75 12.194 7.960 12.152 644 HZ1 LYS 75 1HZ LYS 75 12.860 5.655 12.229 645 HZ2 LYS 75 2HZ LYS 75 13.927 6.521 11.249 646 HZ3 LYS 75 3HZ LYS 75 12.764 5.525 10.546 647 H GLU 76 H GLU 76 7.936 9.817 7.367 648 HA GLU 76 HA GLU 76 9.122 12.381 6.690 649 HB2 GLU 76 2HB GLU 76 7.609 10.293 5.078 650 HB3 GLU 76 3HB GLU 76 8.228 11.782 4.373 651 HG2 GLU 76 2HG GLU 76 9.930 9.648 5.701 652 HG3 GLU 76 3HG GLU 76 9.690 9.816 3.963 653 H GLY 77 H GLY 77 6.212 11.515 8.073 654 HA2 GLY 77 2HA GLY 77 4.368 12.766 8.622 655 HA3 GLY 77 3HA GLY 77 5.018 14.103 7.687 656 H LEU 78 H LEU 78 4.763 11.102 6.042 657 HA LEU 78 HA LEU 78 2.739 12.189 4.235 658 HB2 LEU 78 2HB LEU 78 4.333 9.599 4.006 659 HB3 LEU 78 3HB LEU 78 3.400 10.376 2.730 660 HG LEU 78 HG LEU 78 6.004 11.346 3.963 661 HD11 LEU 78 1HD1 LEU 78 6.905 11.153 1.696 662 HD12 LEU 78 2HD1 LEU 78 5.349 10.551 1.117 663 HD13 LEU 78 3HD1 LEU 78 6.284 9.608 2.280 664 HD21 LEU 78 1HD2 LEU 78 4.608 13.312 3.655 665 HD22 LEU 78 2HD2 LEU 78 4.252 12.846 1.992 666 HD23 LEU 78 3HD2 LEU 78 5.895 13.300 2.450 667 H ARG 79 H ARG 79 0.754 11.215 3.833 668 HA ARG 79 HA ARG 79 -0.421 9.717 5.982 669 HB2 ARG 79 2HB ARG 79 -1.591 11.563 4.732 670 HB3 ARG 79 3HB ARG 79 -1.618 10.540 3.299 671 HG2 ARG 79 2HG ARG 79 -3.109 8.967 4.367 672 HG3 ARG 79 3HG ARG 79 -2.940 9.784 5.921 673 HD2 ARG 79 2HD ARG 79 -4.027 11.805 4.930 674 HD3 ARG 79 3HD ARG 79 -4.272 10.899 3.432 675 HE ARG 79 HE ARG 79 -5.443 9.273 5.184 676 HH11 ARG 79 1HH1 ARG 79 -5.793 12.775 4.896 677 HH12 ARG 79 2HH1 ARG 79 -7.417 12.761 5.509 678 HH21 ARG 79 1HH2 ARG 79 -7.530 9.299 6.003 679 HH22 ARG 79 2HH2 ARG 79 -8.395 10.795 6.132 680 H VAL 80 H VAL 80 -0.334 7.553 6.124 681 HA VAL 80 HA VAL 80 0.409 5.930 3.780 682 HB VAL 80 HB VAL 80 0.514 4.976 6.676 683 HG11 VAL 80 1HG1 VAL 80 2.007 4.056 4.180 684 HG12 VAL 80 2HG1 VAL 80 0.643 3.223 4.931 685 HG13 VAL 80 3HG1 VAL 80 2.175 3.364 5.797 686 HG21 VAL 80 1HG2 VAL 80 1.868 7.023 6.563 687 HG22 VAL 80 2HG2 VAL 80 2.734 6.398 5.157 688 HG23 VAL 80 3HG2 VAL 80 2.912 5.606 6.725 689 H LEU 81 H LEU 81 -1.160 4.815 2.824 690 HA LEU 81 HA LEU 81 -3.497 3.798 4.347 691 HB2 LEU 81 2HB LEU 81 -3.263 4.367 1.347 692 HB3 LEU 81 3HB LEU 81 -4.685 3.765 2.168 693 HG LEU 81 HG LEU 81 -5.110 6.055 1.657 694 HD11 LEU 81 1HD1 LEU 81 -5.907 5.403 3.861 695 HD12 LEU 81 2HD1 LEU 81 -5.494 7.116 3.807 696 HD13 LEU 81 3HD1 LEU 81 -4.403 5.971 4.594 697 HD21 LEU 81 1HD2 LEU 81 -2.506 6.858 2.979 698 HD22 LEU 81 2HD2 LEU 81 -3.699 7.951 2.270 699 HD23 LEU 81 3HD2 LEU 81 -2.815 6.822 1.242 700 H VAL 82 H VAL 82 -3.065 1.672 4.790 701 HA VAL 82 HA VAL 82 -1.528 0.007 2.900 702 HB VAL 82 HB VAL 82 -1.941 -0.397 5.901 703 HG11 VAL 82 1HG1 VAL 82 -0.231 -2.190 5.736 704 HG12 VAL 82 2HG1 VAL 82 -0.187 -1.989 3.984 705 HG13 VAL 82 3HG1 VAL 82 -1.659 -2.570 4.766 706 HG21 VAL 82 1HG2 VAL 82 -0.491 1.527 5.458 707 HG22 VAL 82 2HG2 VAL 82 0.523 0.545 4.400 708 HG23 VAL 82 3HG2 VAL 82 0.456 0.193 6.129 709 H ILE 83 H ILE 83 -2.545 -1.655 1.916 710 HA ILE 83 HA ILE 83 -4.860 -2.954 3.247 711 HB ILE 83 HB ILE 83 -4.567 -2.393 0.258 712 HG12 ILE 83 2HG1 ILE 83 -6.667 -1.667 2.334 713 HG13 ILE 83 3HG1 ILE 83 -5.628 -0.567 1.445 714 HG21 ILE 83 1HG2 ILE 83 -6.585 -4.263 1.562 715 HG22 ILE 83 2HG2 ILE 83 -5.253 -4.755 0.515 716 HG23 ILE 83 3HG2 ILE 83 -6.574 -3.788 -0.138 717 HD11 ILE 83 1HD1 ILE 83 -7.901 -2.194 0.313 718 HD12 ILE 83 2HD1 ILE 83 -6.827 -1.147 -0.619 719 HD13 ILE 83 3HD1 ILE 83 -7.872 -0.458 0.618 720 H MET 84 H MET 84 -4.540 -5.050 3.625 721 HA MET 84 HA MET 84 -2.387 -6.507 2.169 722 HB2 MET 84 2HB MET 84 -3.066 -6.571 5.138 723 HB3 MET 84 3HB MET 84 -2.047 -7.778 4.369 724 HG2 MET 84 2HG MET 84 -0.380 -6.132 3.824 725 HG3 MET 84 3HG MET 84 -1.434 -4.811 4.325 726 HE1 MET 84 1HE MET 84 -2.631 -5.554 7.095 727 HE2 MET 84 2HE MET 84 -1.777 -4.037 6.809 728 HE3 MET 84 3HE MET 84 -1.362 -5.035 8.201 729 H VAL 85 H VAL 85 -3.153 -8.177 1.055 730 HA VAL 85 HA VAL 85 -5.761 -9.415 1.741 731 HB VAL 85 HB VAL 85 -4.844 -8.652 -1.081 732 HG11 VAL 85 1HG1 VAL 85 -7.107 -9.360 -1.813 733 HG12 VAL 85 2HG1 VAL 85 -7.483 -9.877 -0.168 734 HG13 VAL 85 3HG1 VAL 85 -6.221 -10.705 -1.082 735 HG21 VAL 85 1HG2 VAL 85 -5.488 -6.667 0.249 736 HG22 VAL 85 2HG2 VAL 85 -7.059 -7.401 0.579 737 HG23 VAL 85 3HG2 VAL 85 -6.617 -6.967 -1.073 738 H ASP 86 H ASP 86 -5.732 -11.572 1.701 739 HA ASP 86 HA ASP 86 -4.417 -13.253 -0.111 740 HB2 ASP 86 2HB ASP 86 -2.332 -12.674 1.112 741 HB3 ASP 86 3HB ASP 86 -3.080 -13.127 2.642 742 H GLN 87 H GLN 87 -4.779 -15.552 0.440 743 HA GLN 87 HA GLN 87 -7.377 -16.089 1.352 744 HB2 GLN 87 2HB GLN 87 -5.094 -18.087 1.120 745 HB3 GLN 87 3HB GLN 87 -6.817 -18.445 1.047 746 HG2 GLN 87 2HG GLN 87 -5.261 -16.819 -0.999 747 HG3 GLN 87 3HG GLN 87 -5.752 -18.499 -1.189 748 HE21 GLN 87 1HE2 GLN 87 -6.406 -16.108 -2.798 749 HE22 GLN 87 2HE2 GLN 87 -8.132 -16.019 -2.839 750 H ASP 88 H ASP 88 -4.259 -16.279 2.998 751 HA ASP 88 HA ASP 88 -5.378 -17.330 5.482 752 HB2 ASP 88 2HB ASP 88 -2.560 -16.415 4.759 753 HB3 ASP 88 3HB ASP 88 -3.016 -17.074 6.331 754 H GLN 89 H GLN 89 -6.786 -15.765 6.200 755 HA GLN 89 HA GLN 89 -6.315 -13.004 6.448 756 HB2 GLN 89 2HB GLN 89 -8.576 -14.095 6.624 757 HB3 GLN 89 3HB GLN 89 -8.128 -14.734 8.202 758 HG2 GLN 89 2HG GLN 89 -9.540 -12.743 8.439 759 HG3 GLN 89 3HG GLN 89 -7.925 -12.431 9.085 760 HE21 GLN 89 1HE2 GLN 89 -7.877 -10.248 8.799 761 HE22 GLN 89 2HE2 GLN 89 -7.987 -9.459 7.271 762 H GLU 90 H GLU 90 -5.167 -15.665 8.283 763 HA GLU 90 HA GLU 90 -4.742 -14.624 10.827 764 HB2 GLU 90 2HB GLU 90 -2.892 -16.626 9.464 765 HB3 GLU 90 3HB GLU 90 -3.252 -16.487 11.182 766 HG2 GLU 90 2HG GLU 90 -5.115 -17.473 9.001 767 HG3 GLU 90 3HG GLU 90 -4.359 -18.440 10.264 768 H GLU 91 H GLU 91 -2.568 -14.664 8.005 769 HA GLU 91 HA GLU 91 -0.340 -13.384 9.266 770 HB2 GLU 91 2HB GLU 91 -0.114 -14.918 7.310 771 HB3 GLU 91 3HB GLU 91 -0.951 -13.745 6.298 772 HG2 GLU 91 2HG GLU 91 0.877 -12.103 6.766 773 HG3 GLU 91 3HG GLU 91 1.722 -13.351 7.680 774 H LEU 92 H LEU 92 -3.060 -12.319 7.301 775 HA LEU 92 HA LEU 92 -2.240 -9.687 6.681 776 HB2 LEU 92 2HB LEU 92 -5.093 -10.682 7.077 777 HB3 LEU 92 3HB LEU 92 -4.600 -9.253 6.176 778 HG LEU 92 HG LEU 92 -4.097 -12.150 5.408 779 HD11 LEU 92 1HD1 LEU 92 -5.547 -11.654 3.501 780 HD12 LEU 92 2HD1 LEU 92 -5.804 -10.013 4.101 781 HD13 LEU 92 3HD1 LEU 92 -6.389 -11.398 5.030 782 HD21 LEU 92 1HD2 LEU 92 -3.074 -11.256 3.328 783 HD22 LEU 92 2HD2 LEU 92 -2.132 -10.872 4.765 784 HD23 LEU 92 3HD2 LEU 92 -3.133 -9.630 4.009 785 H GLU 93 H GLU 93 -4.315 -10.969 9.247 786 HA GLU 93 HA GLU 93 -4.788 -8.512 10.584 787 HB2 GLU 93 2HB GLU 93 -6.299 -10.543 10.634 788 HB3 GLU 93 3HB GLU 93 -5.132 -11.332 11.690 789 HG2 GLU 93 2HG GLU 93 -5.461 -9.477 13.353 790 HG3 GLU 93 3HG GLU 93 -6.703 -8.803 12.299 791 H ARG 94 H ARG 94 -2.257 -10.930 10.788 792 HA ARG 94 HA ARG 94 -1.118 -10.407 13.298 793 HB2 ARG 94 2HB ARG 94 -0.482 -12.308 11.778 794 HB3 ARG 94 3HB ARG 94 0.344 -11.167 10.726 795 HG2 ARG 94 2HG ARG 94 1.977 -12.327 12.116 796 HG3 ARG 94 3HG ARG 94 1.922 -10.624 12.586 797 HD2 ARG 94 2HD ARG 94 0.523 -11.174 14.511 798 HD3 ARG 94 3HD ARG 94 0.455 -12.866 14.020 799 HE ARG 94 HE ARG 94 3.146 -12.195 14.379 800 HH11 ARG 94 1HH1 ARG 94 0.230 -12.478 16.328 801 HH12 ARG 94 2HH1 ARG 94 1.086 -12.903 17.777 802 HH21 ARG 94 1HH2 ARG 94 4.266 -12.793 16.295 803 HH22 ARG 94 2HH2 ARG 94 3.372 -13.082 17.758 804 H ILE 95 H ILE 95 -0.287 -9.015 10.113 805 HA ILE 95 HA ILE 95 1.560 -7.086 11.143 806 HB ILE 95 HB ILE 95 0.199 -7.039 8.409 807 HG12 ILE 95 2HG1 ILE 95 1.219 -9.275 8.758 808 HG13 ILE 95 3HG1 ILE 95 2.105 -8.370 7.540 809 HG21 ILE 95 1HG2 ILE 95 2.255 -5.858 7.676 810 HG22 ILE 95 2HG2 ILE 95 2.868 -5.904 9.332 811 HG23 ILE 95 3HG2 ILE 95 1.417 -4.973 8.957 812 HD11 ILE 95 1HD1 ILE 95 3.599 -9.592 8.963 813 HD12 ILE 95 2HD1 ILE 95 2.948 -8.810 10.400 814 HD13 ILE 95 3HD1 ILE 95 3.840 -7.864 9.203 815 H TYR 96 H TYR 96 -1.848 -7.073 10.257 816 HA TYR 96 HA TYR 96 -2.558 -4.421 10.145 817 HB2 TYR 96 2HB TYR 96 -4.118 -6.255 9.673 818 HB3 TYR 96 3HB TYR 96 -4.079 -6.773 11.344 819 HD1 TYR 96 HD1 TYR 96 -5.586 -4.459 8.953 820 HD2 TYR 96 HD2 TYR 96 -5.311 -5.415 13.111 821 HE1 TYR 96 HE1 TYR 96 -7.606 -3.141 9.393 822 HE2 TYR 96 HE2 TYR 96 -7.330 -4.072 13.546 823 HH TYR 96 HH TYR 96 -9.365 -2.937 11.052 824 H GLU 97 H GLU 97 -2.335 -6.487 13.055 825 HA GLU 97 HA GLU 97 -3.297 -4.748 14.991 826 HB2 GLU 97 2HB GLU 97 -2.888 -7.150 15.393 827 HB3 GLU 97 3HB GLU 97 -1.152 -6.890 15.283 828 HG2 GLU 97 2HG GLU 97 -1.538 -5.222 17.291 829 HG3 GLU 97 3HG GLU 97 -3.049 -6.101 17.503 830 H GLN 98 H GLN 98 0.067 -5.229 13.924 831 HA GLN 98 HA GLN 98 1.433 -3.496 15.638 832 HB2 GLN 98 2HB GLN 98 2.593 -5.130 14.215 833 HB3 GLN 98 3HB GLN 98 2.017 -4.330 12.759 834 HG2 GLN 98 2HG GLN 98 4.354 -3.806 13.048 835 HG3 GLN 98 3HG GLN 98 3.416 -2.342 13.331 836 HE21 GLN 98 1HE2 GLN 98 5.063 -1.359 14.527 837 HE22 GLN 98 2HE2 GLN 98 5.503 -1.885 16.114 838 H LEU 99 H LEU 99 0.186 -2.911 12.346 839 HA LEU 99 HA LEU 99 0.993 -0.160 12.249 840 HB2 LEU 99 2HB LEU 99 -0.984 -1.575 10.437 841 HB3 LEU 99 3HB LEU 99 -0.046 -0.135 10.062 842 HG LEU 99 HG LEU 99 1.012 -2.978 10.365 843 HD11 LEU 99 1HD1 LEU 99 0.887 -1.196 7.917 844 HD12 LEU 99 2HD1 LEU 99 -0.169 -2.570 8.260 845 HD13 LEU 99 3HD1 LEU 99 1.553 -2.829 7.994 846 HD21 LEU 99 1HD2 LEU 99 3.222 -2.111 9.723 847 HD22 LEU 99 2HD2 LEU 99 2.681 -1.450 11.264 848 HD23 LEU 99 3HD2 LEU 99 2.607 -0.459 9.803 849 H LYS 100 H LYS 100 -1.841 -1.771 13.384 850 HA LYS 100 HA LYS 100 -3.817 0.265 13.134 851 HB2 LYS 100 2HB LYS 100 -4.186 -2.238 13.552 852 HB3 LYS 100 3HB LYS 100 -3.678 -1.987 15.209 853 HG2 LYS 100 2HG LYS 100 -6.062 -0.545 14.015 854 HG3 LYS 100 3HG LYS 100 -6.201 -2.157 14.714 855 HD2 LYS 100 2HD LYS 100 -5.359 -1.236 16.891 856 HD3 LYS 100 3HD LYS 100 -5.334 0.376 16.170 857 HE2 LYS 100 2HE LYS 100 -7.785 -1.371 16.585 858 HE3 LYS 100 3HE LYS 100 -7.357 0.068 17.511 859 HZ1 LYS 100 1HZ LYS 100 -8.062 -0.019 14.625 860 HZ2 LYS 100 2HZ LYS 100 -7.579 1.365 15.461 861 HZ3 LYS 100 3HZ LYS 100 -9.018 0.592 15.876 862 H LYS 101 H LYS 101 -1.582 -0.730 15.691 863 HA LYS 101 HA LYS 101 -2.257 1.196 17.653 864 HB2 LYS 101 2HB LYS 101 0.332 -0.354 17.217 865 HB3 LYS 101 3HB LYS 101 -0.077 0.528 18.691 866 HG2 LYS 101 2HG LYS 101 -1.912 -0.974 19.172 867 HG3 LYS 101 3HG LYS 101 -1.732 -1.778 17.605 868 HD2 LYS 101 2HD LYS 101 0.518 -2.576 18.282 869 HD3 LYS 101 3HD LYS 101 0.327 -1.789 19.852 870 HE2 LYS 101 2HE LYS 101 -1.507 -3.282 20.421 871 HE3 LYS 101 3HE LYS 101 -1.482 -3.990 18.803 872 HZ1 LYS 101 1HZ LYS 101 -0.361 -5.435 20.311 873 HZ2 LYS 101 2HZ LYS 101 0.648 -4.190 20.855 874 HZ3 LYS 101 3HZ LYS 101 0.790 -4.759 19.271 875 H ASP 102 H ASP 102 -0.202 1.367 14.821 876 HA ASP 102 HA ASP 102 1.112 3.852 15.598 877 HB2 ASP 102 2HB ASP 102 1.120 2.324 12.955 878 HB3 ASP 102 3HB ASP 102 2.074 3.772 13.264 879 H GLY 103 H GLY 103 -1.982 3.176 14.585 880 HA2 GLY 103 2HA GLY 103 -3.724 4.560 14.006 881 HA3 GLY 103 3HA GLY 103 -2.624 5.926 14.087 882 H VAL 104 H VAL 104 -2.116 3.119 12.063 883 HA VAL 104 HA VAL 104 -2.155 4.752 9.626 884 HB VAL 104 HB VAL 104 -1.421 1.801 9.981 885 HG11 VAL 104 1HG1 VAL 104 -1.957 2.364 7.643 886 HG12 VAL 104 2HG1 VAL 104 -0.231 2.041 7.824 887 HG13 VAL 104 3HG1 VAL 104 -0.807 3.704 7.686 888 HG21 VAL 104 1HG2 VAL 104 0.022 3.247 11.370 889 HG22 VAL 104 2HG2 VAL 104 0.442 4.203 9.946 890 HG23 VAL 104 3HG2 VAL 104 0.927 2.510 10.046 891 H ASP 105 H ASP 105 -3.628 4.399 7.935 892 HA ASP 105 HA ASP 105 -6.121 3.079 8.505 893 HB2 ASP 105 2HB ASP 105 -6.059 5.064 7.020 894 HB3 ASP 105 3HB ASP 105 -4.993 4.212 5.908 895 H VAL 106 H VAL 106 -6.018 0.910 8.669 896 HA VAL 106 HA VAL 106 -4.603 -0.651 6.582 897 HB VAL 106 HB VAL 106 -4.395 -2.458 8.504 898 HG11 VAL 106 1HG1 VAL 106 -2.497 -1.310 7.403 899 HG12 VAL 106 2HG1 VAL 106 -2.198 -1.605 9.112 900 HG13 VAL 106 3HG1 VAL 106 -2.630 0.018 8.564 901 HG21 VAL 106 1HG2 VAL 106 -5.759 -1.283 10.212 902 HG22 VAL 106 2HG2 VAL 106 -4.629 0.071 10.206 903 HG23 VAL 106 3HG2 VAL 106 -4.106 -1.514 10.789 904 H ARG 107 H ARG 107 -5.740 -2.057 5.500 905 HA ARG 107 HA ARG 107 -8.402 -2.933 6.451 906 HB2 ARG 107 2HB ARG 107 -7.797 -2.035 3.588 907 HB3 ARG 107 3HB ARG 107 -9.366 -2.504 4.242 908 HG2 ARG 107 2HG ARG 107 -9.320 -0.549 5.748 909 HG3 ARG 107 3HG ARG 107 -7.744 -0.096 5.108 910 HD2 ARG 107 2HD ARG 107 -8.765 0.350 2.908 911 HD3 ARG 107 3HD ARG 107 -10.353 -0.125 3.543 912 HE ARG 107 HE ARG 107 -8.798 2.048 4.804 913 HH11 ARG 107 1HH1 ARG 107 -11.755 1.097 3.146 914 HH12 ARG 107 2HH1 ARG 107 -12.563 2.584 3.520 915 HH21 ARG 107 1HH2 ARG 107 -9.920 3.851 5.445 916 HH22 ARG 107 2HH2 ARG 107 -11.522 4.150 4.828 917 H VAL 108 H VAL 108 -8.283 -5.041 6.635 918 HA VAL 108 HA VAL 108 -6.640 -6.656 4.781 919 HB VAL 108 HB VAL 108 -6.323 -8.265 6.684 920 HG11 VAL 108 1HG1 VAL 108 -4.596 -6.944 7.865 921 HG12 VAL 108 2HG1 VAL 108 -5.280 -5.453 7.209 922 HG13 VAL 108 3HG1 VAL 108 -4.562 -6.649 6.126 923 HG21 VAL 108 1HG2 VAL 108 -7.542 -6.074 8.427 924 HG22 VAL 108 2HG2 VAL 108 -6.752 -7.536 9.025 925 HG23 VAL 108 3HG2 VAL 108 -8.252 -7.660 8.106 926 H THR 109 H THR 109 -7.635 -8.346 3.816 927 HA THR 109 HA THR 109 -10.133 -9.453 4.732 928 HB THR 109 HB THR 109 -11.061 -7.475 3.640 929 HG1 THR 109 HG1 THR 109 -11.829 -9.819 3.158 930 HG21 THR 109 1HG2 THR 109 -10.767 -6.981 1.228 931 HG22 THR 109 2HG2 THR 109 -9.590 -8.288 1.098 932 HG23 THR 109 3HG2 THR 109 -9.224 -6.871 2.085 933 H ASP 110 H ASP 110 -9.990 -11.573 4.327 934 HA ASP 110 HA ASP 110 -8.321 -12.619 2.193 935 HB2 ASP 110 2HB ASP 110 -8.990 -14.854 3.030 936 HB3 ASP 110 3HB ASP 110 -8.362 -13.839 4.316 937 H ASN 111 H ASN 111 -9.252 -11.722 0.429 938 HA ASN 111 HA ASN 111 -11.315 -12.899 -0.999 939 HB2 ASN 111 2HB ASN 111 -12.413 -11.209 1.058 940 HB3 ASN 111 3HB ASN 111 -12.561 -10.274 -0.416 941 HD21 ASN 111 1HD2 ASN 111 -13.510 -13.224 1.226 942 HD22 ASN 111 2HD2 ASN 111 -14.878 -13.564 0.227 943 H GLU 112 H GLU 112 -10.004 -12.620 -2.716 944 HA GLU 112 HA GLU 112 -8.466 -10.339 -3.359 945 HB2 GLU 112 2HB GLU 112 -7.903 -12.610 -4.083 946 HB3 GLU 112 3HB GLU 112 -9.372 -12.728 -5.031 947 HG2 GLU 112 2HG GLU 112 -7.257 -10.661 -5.671 948 HG3 GLU 112 3HG GLU 112 -7.101 -12.321 -6.241 949 H ASP 113 H ASP 113 -11.703 -11.386 -4.313 950 HA ASP 113 HA ASP 113 -12.221 -9.519 -6.375 951 HB2 ASP 113 2HB ASP 113 -13.596 -11.544 -6.107 952 HB3 ASP 113 3HB ASP 113 -14.138 -11.010 -4.518 953 H GLU 114 H GLU 114 -13.069 -9.540 -2.904 954 HA GLU 114 HA GLU 114 -14.437 -7.078 -2.826 955 HB2 GLU 114 2HB GLU 114 -14.598 -8.913 -1.110 956 HB3 GLU 114 3HB GLU 114 -12.999 -8.472 -0.530 957 HG2 GLU 114 2HG GLU 114 -14.741 -7.557 0.928 958 HG3 GLU 114 3HG GLU 114 -13.833 -6.256 0.153 959 H ALA 115 H ALA 115 -11.062 -7.929 -2.475 960 HA ALA 115 HA ALA 115 -9.895 -5.691 -1.353 961 HB1 ALA 115 1HB ALA 115 -8.726 -7.801 -1.819 962 HB2 ALA 115 2HB ALA 115 -7.841 -6.424 -2.486 963 HB3 ALA 115 3HB ALA 115 -8.793 -7.468 -3.547 964 H LYS 116 H LYS 116 -10.941 -6.238 -4.677 965 HA LYS 116 HA LYS 116 -9.597 -4.041 -5.889 966 HB2 LYS 116 2HB LYS 116 -12.018 -5.592 -6.903 967 HB3 LYS 116 3HB LYS 116 -10.927 -4.603 -7.873 968 HG2 LYS 116 2HG LYS 116 -9.060 -6.149 -7.373 969 HG3 LYS 116 3HG LYS 116 -10.139 -7.128 -6.376 970 HD2 LYS 116 2HD LYS 116 -9.909 -8.231 -8.505 971 HD3 LYS 116 3HD LYS 116 -11.540 -7.565 -8.422 972 HE2 LYS 116 2HE LYS 116 -10.928 -5.735 -9.896 973 HE3 LYS 116 3HE LYS 116 -9.228 -6.204 -9.848 974 HZ1 LYS 116 1HZ LYS 116 -11.452 -7.746 -11.068 975 HZ2 LYS 116 2HZ LYS 116 -9.869 -8.314 -10.915 976 HZ3 LYS 116 3HZ LYS 116 -10.190 -6.964 -11.876 977 H LYS 117 H LYS 117 -12.769 -4.410 -4.381 978 HA LYS 117 HA LYS 117 -13.825 -1.851 -5.156 979 HB2 LYS 117 2HB LYS 117 -14.613 -3.642 -2.806 980 HB3 LYS 117 3HB LYS 117 -15.466 -2.175 -3.262 981 HG2 LYS 117 2HG LYS 117 -16.802 -3.873 -4.151 982 HG3 LYS 117 3HG LYS 117 -15.867 -3.334 -5.548 983 HD2 LYS 117 2HD LYS 117 -14.390 -5.263 -5.364 984 HD3 LYS 117 3HD LYS 117 -15.140 -5.748 -3.842 985 HE2 LYS 117 2HE LYS 117 -15.946 -7.177 -5.625 986 HE3 LYS 117 3HE LYS 117 -17.274 -6.166 -5.062 987 HZ1 LYS 117 1HZ LYS 117 -17.229 -6.323 -7.461 988 HZ2 LYS 117 2HZ LYS 117 -15.658 -5.709 -7.511 989 HZ3 LYS 117 3HZ LYS 117 -16.925 -4.736 -6.980 990 H ARG 118 H ARG 118 -12.086 -3.157 -2.355 991 HA ARG 118 HA ARG 118 -12.187 -0.774 -0.764 992 HB2 ARG 118 2HB ARG 118 -10.315 -3.160 -0.411 993 HB3 ARG 118 3HB ARG 118 -10.770 -1.978 0.817 994 HG2 ARG 118 2HG ARG 118 -12.615 -4.009 -0.484 995 HG3 ARG 118 3HG ARG 118 -11.971 -4.096 1.154 996 HD2 ARG 118 2HD ARG 118 -13.314 -2.240 1.871 997 HD3 ARG 118 3HD ARG 118 -13.744 -1.808 0.215 998 HE ARG 118 HE ARG 118 -14.695 -4.348 0.507 999 HH11 ARG 118 1HH1 ARG 118 -15.267 -1.334 2.234 1000 HH12 ARG 118 2HH1 ARG 118 -16.884 -1.769 2.688 1001 HH21 ARG 118 1HH2 ARG 118 -16.823 -4.875 1.064 1002 HH22 ARG 118 2HH2 ARG 118 -17.767 -3.776 2.023 1003 H LEU 119 H LEU 119 -10.050 -1.896 -3.248 1004 HA LEU 119 HA LEU 119 -7.790 -0.235 -2.614 1005 HB2 LEU 119 2HB LEU 119 -8.138 -2.416 -4.276 1006 HB3 LEU 119 3HB LEU 119 -8.159 -1.127 -5.459 1007 HG LEU 119 HG LEU 119 -5.904 -2.042 -5.274 1008 HD11 LEU 119 1HD1 LEU 119 -5.928 0.717 -4.010 1009 HD12 LEU 119 2HD1 LEU 119 -6.015 0.365 -5.737 1010 HD13 LEU 119 3HD1 LEU 119 -4.562 -0.051 -4.831 1011 HD21 LEU 119 1HD2 LEU 119 -4.596 -2.004 -3.209 1012 HD22 LEU 119 2HD2 LEU 119 -6.063 -2.954 -2.990 1013 HD23 LEU 119 3HD2 LEU 119 -5.963 -1.322 -2.322 1014 H LYS 120 H LYS 120 -10.490 -0.090 -4.921 1015 HA LYS 120 HA LYS 120 -9.934 2.436 -6.060 1016 HB2 LYS 120 2HB LYS 120 -11.461 0.684 -7.004 1017 HB3 LYS 120 3HB LYS 120 -12.629 1.051 -5.738 1018 HG2 LYS 120 2HG LYS 120 -12.865 3.352 -6.621 1019 HG3 LYS 120 3HG LYS 120 -11.680 2.994 -7.881 1020 HD2 LYS 120 2HD LYS 120 -14.395 1.657 -7.541 1021 HD3 LYS 120 3HD LYS 120 -13.980 2.860 -8.763 1022 HE2 LYS 120 2HE LYS 120 -12.282 1.249 -9.686 1023 HE3 LYS 120 3HE LYS 120 -12.852 0.044 -8.528 1024 HZ1 LYS 120 1HZ LYS 120 -15.073 0.250 -9.549 1025 HZ2 LYS 120 2HZ LYS 120 -13.901 -0.305 -10.629 1026 HZ3 LYS 120 3HZ LYS 120 -14.428 1.297 -10.709 1027 H GLU 121 H GLU 121 -11.660 1.446 -3.155 1028 HA GLU 121 HA GLU 121 -12.781 3.827 -2.244 1029 HB2 GLU 121 2HB GLU 121 -13.142 1.689 -1.107 1030 HB3 GLU 121 3HB GLU 121 -11.430 1.550 -0.757 1031 HG2 GLU 121 2HG GLU 121 -12.484 2.122 1.283 1032 HG3 GLU 121 3HG GLU 121 -11.637 3.566 0.736 1033 H LEU 122 H LEU 122 -9.437 2.572 -1.896 1034 HA LEU 122 HA LEU 122 -8.425 4.804 -0.461 1035 HB2 LEU 122 2HB LEU 122 -6.942 2.710 -2.083 1036 HB3 LEU 122 3HB LEU 122 -6.130 3.988 -1.191 1037 HG LEU 122 HG LEU 122 -7.668 1.621 -0.089 1038 HD11 LEU 122 1HD1 LEU 122 -5.562 1.237 1.142 1039 HD12 LEU 122 2HD1 LEU 122 -4.841 2.632 0.334 1040 HD13 LEU 122 3HD1 LEU 122 -5.335 1.221 -0.606 1041 HD21 LEU 122 1HD2 LEU 122 -8.464 3.549 1.207 1042 HD22 LEU 122 2HD2 LEU 122 -6.803 4.060 1.518 1043 HD23 LEU 122 3HD2 LEU 122 -7.399 2.540 2.188 1044 H LEU 123 H LEU 123 -8.684 4.088 -3.959 1045 HA LEU 123 HA LEU 123 -6.905 5.919 -5.026 1046 HB2 LEU 123 2HB LEU 123 -9.353 4.574 -6.053 1047 HB3 LEU 123 3HB LEU 123 -8.948 6.048 -6.904 1048 HG LEU 123 HG LEU 123 -8.013 4.116 -8.066 1049 HD11 LEU 123 1HD1 LEU 123 -5.695 4.850 -8.314 1050 HD12 LEU 123 2HD1 LEU 123 -5.787 5.770 -6.812 1051 HD13 LEU 123 3HD1 LEU 123 -6.770 6.244 -8.202 1052 HD21 LEU 123 1HD2 LEU 123 -6.276 2.684 -7.104 1053 HD22 LEU 123 2HD2 LEU 123 -7.760 2.577 -6.162 1054 HD23 LEU 123 3HD2 LEU 123 -6.403 3.528 -5.559 1055 H GLU 124 H GLU 124 -10.182 6.541 -3.897 1056 HA GLU 124 HA GLU 124 -10.366 9.300 -4.544 1057 HB2 GLU 124 2HB GLU 124 -11.679 7.753 -2.269 1058 HB3 GLU 124 3HB GLU 124 -12.169 9.352 -2.831 1059 HG2 GLU 124 2HG GLU 124 -12.810 8.427 -5.004 1060 HG3 GLU 124 3HG GLU 124 -12.237 6.831 -4.521 1061 H LYS 125 H LYS 125 -9.453 7.598 -1.560 1062 HA LYS 125 HA LYS 125 -8.769 9.850 0.018 1063 HB2 LYS 125 2HB LYS 125 -7.836 6.963 0.284 1064 HB3 LYS 125 3HB LYS 125 -7.776 8.193 1.546 1065 HG2 LYS 125 2HG LYS 125 -10.234 8.286 1.597 1066 HG3 LYS 125 3HG LYS 125 -10.315 7.095 0.292 1067 HD2 LYS 125 2HD LYS 125 -10.699 6.071 2.536 1068 HD3 LYS 125 3HD LYS 125 -9.287 5.392 1.720 1069 HE2 LYS 125 2HE LYS 125 -7.802 6.807 3.098 1070 HE3 LYS 125 3HE LYS 125 -9.204 7.532 3.884 1071 HZ1 LYS 125 1HZ LYS 125 -8.463 4.666 4.010 1072 HZ2 LYS 125 2HZ LYS 125 -9.758 5.406 4.806 1073 HZ3 LYS 125 3HZ LYS 125 -8.176 5.811 5.215 1074 H VAL 126 H VAL 126 -7.040 8.263 -2.484 1075 HA VAL 126 HA VAL 126 -4.356 8.710 -1.611 1076 HB VAL 126 HB VAL 126 -5.625 7.920 -4.278 1077 HG11 VAL 126 1HG1 VAL 126 -2.654 8.329 -3.830 1078 HG12 VAL 126 2HG1 VAL 126 -3.681 9.301 -4.885 1079 HG13 VAL 126 3HG1 VAL 126 -3.387 7.602 -5.262 1080 HG21 VAL 126 1HG2 VAL 126 -3.701 6.431 -2.458 1081 HG22 VAL 126 2HG2 VAL 126 -4.445 5.783 -3.921 1082 HG23 VAL 126 3HG2 VAL 126 -5.443 6.178 -2.520 1083 H LEU 127 H LEU 127 -6.345 10.188 -4.212 1084 HA LEU 127 HA LEU 127 -4.537 12.366 -4.643 1085 HB2 LEU 127 2HB LEU 127 -7.403 12.006 -5.581 1086 HB3 LEU 127 3HB LEU 127 -6.282 13.228 -6.174 1087 HG LEU 127 HG LEU 127 -5.957 10.218 -6.515 1088 HD11 LEU 127 1HD1 LEU 127 -6.372 10.692 -8.900 1089 HD12 LEU 127 2HD1 LEU 127 -6.739 12.370 -8.496 1090 HD13 LEU 127 3HD1 LEU 127 -7.757 11.066 -7.877 1091 HD21 LEU 127 1HD2 LEU 127 -4.066 10.789 -8.024 1092 HD22 LEU 127 2HD2 LEU 127 -3.754 11.264 -6.357 1093 HD23 LEU 127 3HD2 LEU 127 -4.204 12.485 -7.551 1094 H GLU 128 H GLU 128 -7.543 11.959 -2.832 1095 HA GLU 128 HA GLU 128 -7.906 14.661 -2.075 1096 HB2 GLU 128 2HB GLU 128 -9.005 12.024 -1.148 1097 HB3 GLU 128 3HB GLU 128 -9.122 13.360 -0.009 1098 HG2 GLU 128 2HG GLU 128 -10.199 13.413 -2.838 1099 HG3 GLU 128 3HG GLU 128 -11.159 13.052 -1.399 1100 H HIS 129 H HIS 129 -6.677 11.910 -0.148 1101 HA HIS 129 HA HIS 129 -5.967 11.877 2.028 1102 HB2 HIS 129 2HB HIS 129 -3.600 12.273 2.161 1103 HB3 HIS 129 3HB HIS 129 -3.932 11.797 0.509 1104 HD1 HIS 129 HD1 HIS 129 -2.482 14.496 2.546 1105 HD2 HIS 129 HD2 HIS 129 -3.677 14.003 -1.398 1106 HE1 HIS 129 HE1 HIS 129 -1.434 16.387 1.291 1107 HE2 HIS 129 HE2 HIS 129 -2.475 16.242 -0.987 1108 H HIS 130 H HIS 130 -7.897 13.761 1.914 1109 HA HIS 130 HA HIS 130 -6.956 16.246 3.226 1110 HB2 HIS 130 2HB HIS 130 -7.520 16.735 0.922 1111 HB3 HIS 130 3HB HIS 130 -8.992 15.787 1.002 1112 HD1 HIS 130 HD1 HIS 130 -11.013 17.191 1.052 1113 HD2 HIS 130 HD2 HIS 130 -7.784 19.136 2.804 1114 HE1 HIS 130 HE1 HIS 130 -11.859 19.467 1.707 1115 HE2 HIS 130 HE2 HIS 130 -9.850 20.661 2.624 1116 H HIS 131 H HIS 131 -7.820 16.516 5.167 1117 HA HIS 131 HA HIS 131 -9.863 14.860 6.244 1118 HB2 HIS 131 2HB HIS 131 -7.967 15.994 7.541 1119 HB3 HIS 131 3HB HIS 131 -8.861 17.501 7.404 1120 HD1 HIS 131 HD1 HIS 131 -11.263 17.522 8.638 1121 HD2 HIS 131 HD2 HIS 131 -8.731 14.374 9.613 1122 HE1 HIS 131 HE1 HIS 131 -12.200 16.524 10.739 1123 HE2 HIS 131 HE2 HIS 131 -10.783 14.491 11.156 1124 H HIS 132 H HIS 132 -11.980 15.077 5.908 1125 HA HIS 132 HA HIS 132 -13.130 17.459 4.699 1126 HB2 HIS 132 2HB HIS 132 -14.406 14.786 5.452 1127 HB3 HIS 132 3HB HIS 132 -15.233 16.082 4.592 1128 HD1 HIS 132 HD1 HIS 132 -14.353 13.029 3.667 1129 HD2 HIS 132 HD2 HIS 132 -12.935 16.685 2.292 1130 HE1 HIS 132 HE1 HIS 132 -13.470 12.586 1.362 1131 HE2 HIS 132 HE2 HIS 132 -12.804 14.845 0.491 1132 H HIS 133 H HIS 133 -15.297 18.195 5.577 1133 HA HIS 133 HA HIS 133 -14.938 19.254 8.193 1134 HB2 HIS 133 2HB HIS 133 -17.368 19.338 6.348 1135 HB3 HIS 133 3HB HIS 133 -17.195 20.291 7.820 1136 HD1 HIS 133 HD1 HIS 133 -15.374 22.202 7.781 1137 HD2 HIS 133 HD2 HIS 133 -16.049 20.360 4.120 1138 HE1 HIS 133 HE1 HIS 133 -14.309 23.691 6.067 1139 HE2 HIS 133 HE2 HIS 133 -14.918 22.657 3.859 1140 H HIS 134 H HIS 134 -16.485 19.085 9.971 1141 HA HIS 134 HA HIS 134 -17.108 16.294 10.569 1142 HB2 HIS 134 2HB HIS 134 -17.175 18.781 12.341 1143 HB3 HIS 134 3HB HIS 134 -17.519 17.152 12.909 1144 HD1 HIS 134 HD1 HIS 134 -15.579 16.050 13.970 1145 HD2 HIS 134 HD2 HIS 134 -14.363 18.858 11.166 1146 HE1 HIS 134 HE1 HIS 134 -13.076 16.088 14.099 1147 HE2 HIS 134 HE2 HIS 134 -12.403 17.964 12.571
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