REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zwu_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 N HA 0.000 4.735 4.740 -0.008 0.000 0.220 10 N C 0.000 175.504 175.510 -0.010 0.000 1.280 10 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 10 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 11 L N 0.650 121.869 121.223 -0.007 0.000 2.305 11 L HA 0.387 4.882 4.340 -0.014 -0.164 0.284 11 L C -0.662 176.217 176.870 0.014 0.000 1.013 11 L CA -1.086 53.751 54.840 -0.005 0.000 0.819 11 L CB 1.138 43.191 42.059 -0.011 0.000 1.227 11 L HN -0.415 7.811 8.230 -0.006 0.000 0.417 12 A N 5.269 128.108 122.820 0.030 0.000 2.407 12 A HA 0.167 4.513 4.320 0.043 0.000 0.248 12 A C -2.472 175.152 177.584 0.068 0.000 1.082 12 A CA -1.479 50.591 52.037 0.055 0.000 0.785 12 A CB -0.495 18.554 19.000 0.081 0.000 1.020 12 A HN 0.351 8.514 8.150 0.023 0.000 0.489 13 P HA -0.117 4.313 4.420 0.016 0.000 0.265 13 P C -1.166 176.149 177.300 0.026 0.000 1.193 13 P CA -0.307 62.810 63.100 0.028 0.000 0.765 13 P CB 0.683 32.394 31.700 0.018 0.000 0.823 14 L N 4.667 125.874 121.223 -0.026 0.000 2.477 14 L HA 0.086 4.357 4.340 -0.116 0.000 0.272 14 L C -1.159 175.581 176.870 -0.216 0.000 1.157 14 L CA -1.834 52.923 54.840 -0.137 0.000 0.889 14 L CB -0.031 41.929 42.059 -0.165 0.000 1.158 14 L HN 0.072 8.285 8.230 -0.029 0.000 0.473 15 P HA 0.249 4.598 4.420 -0.118 0.000 0.269 15 P C -1.110 176.032 177.300 -0.263 0.000 1.215 15 P CA -1.133 61.804 63.100 -0.272 0.000 0.780 15 P CB -0.141 31.342 31.700 -0.362 0.000 0.898 16 P HA -0.169 4.211 4.420 -0.068 0.000 0.219 16 P C -0.515 176.768 177.300 -0.027 0.000 1.146 16 P CA 1.816 64.894 63.100 -0.037 0.000 0.808 16 P CB 0.259 31.973 31.700 0.023 0.000 0.779 17 H N -5.661 113.339 119.070 -0.116 0.000 2.539 17 H HA 0.065 4.599 4.556 -0.038 0.000 0.267 17 H C -0.332 174.948 175.328 -0.079 0.000 0.982 17 H CA -0.576 55.434 56.048 -0.064 0.000 1.146 17 H CB -0.380 29.377 29.762 -0.008 0.000 1.382 17 H HN -0.395 7.960 8.280 0.178 0.032 0.577 18 V N 3.623 123.177 119.914 -0.600 0.000 2.370 18 V HA 0.204 4.090 4.120 -0.390 0.000 0.279 18 V C -1.419 174.476 176.094 -0.332 0.000 1.029 18 V CA -2.658 59.283 62.300 -0.598 0.000 0.870 18 V CB -0.257 30.833 31.823 -1.221 0.000 0.984 18 V HN -0.611 7.150 8.190 -0.628 0.053 0.451 19 P HA 0.226 4.590 4.420 -0.093 0.000 0.282 19 P C 0.769 177.960 177.300 -0.182 0.000 1.249 19 P CA -1.364 61.650 63.100 -0.143 0.000 0.806 19 P CB 1.427 33.072 31.700 -0.092 0.000 0.984 20 E N 1.194 121.345 120.200 -0.082 0.000 2.160 20 E HA -0.426 3.866 4.350 -0.097 0.000 0.195 20 E C 1.790 178.363 176.600 -0.045 0.000 0.991 20 E CA 3.530 59.891 56.400 -0.065 0.000 0.810 20 E CB -0.409 29.275 29.700 -0.027 0.000 0.742 20 E HN 0.582 8.921 8.360 -0.035 0.000 0.466 21 H N -4.742 114.337 119.070 0.015 0.000 2.545 21 H HA -0.157 4.404 4.556 0.008 0.000 0.282 21 H C 0.134 175.565 175.328 0.173 0.000 1.020 21 H CA 1.605 57.685 56.048 0.054 0.000 1.243 21 H CB -0.538 29.262 29.762 0.064 0.000 1.377 21 H HN -0.082 8.238 8.280 0.096 0.019 0.581 22 L N -2.128 118.988 121.223 -0.179 0.000 2.607 22 L HA 0.168 4.710 4.340 0.338 0.000 0.228 22 L C -0.903 176.166 176.870 0.332 0.000 1.123 22 L CA -0.697 54.230 54.840 0.146 0.000 0.890 22 L CB 0.342 42.456 42.059 0.092 0.000 1.103 22 L HN -0.747 7.239 8.230 -0.342 0.039 0.468 23 V N 0.451 120.427 119.914 0.102 0.000 2.455 23 V HA 0.132 4.597 4.120 0.207 -0.221 0.273 23 V C -0.408 175.607 176.094 -0.131 0.000 1.045 23 V CA 0.375 62.716 62.300 0.069 0.000 0.976 23 V CB -0.913 30.895 31.823 -0.025 0.000 0.993 23 V HN -0.759 7.267 8.190 -0.017 0.154 0.475 24 F N 4.757 124.716 119.950 0.015 0.000 2.745 24 F HA 0.211 4.743 4.527 0.007 0.000 0.343 24 F C -0.896 174.887 175.800 -0.027 0.000 1.196 24 F CA -0.670 57.331 58.000 0.001 0.000 1.021 24 F CB 3.266 42.267 39.000 0.003 0.000 1.297 24 F HN 0.406 8.879 8.300 0.289 0.000 0.486 25 D N 6.176 126.614 120.400 0.063 0.000 2.801 25 D HA -0.030 4.577 4.640 -0.055 0.000 0.232 25 D C -0.932 175.370 176.300 0.004 0.000 1.128 25 D CA -0.042 53.951 54.000 -0.011 0.000 1.003 25 D CB -1.433 39.339 40.800 -0.047 0.000 1.110 25 D HN 0.170 8.552 8.370 0.021 0.000 0.477 26 F N 1.732 121.600 119.950 -0.137 0.000 2.456 26 F HA -0.116 4.309 4.527 -0.170 0.000 0.358 26 F C -1.173 174.494 175.800 -0.222 0.000 1.095 26 F CA 0.956 58.839 58.000 -0.194 0.000 1.216 26 F CB 1.270 40.123 39.000 -0.244 0.000 1.125 26 F HN -0.577 7.759 8.300 0.164 0.062 0.549 27 D N 7.211 127.126 120.400 -0.809 0.000 2.454 27 D HA 0.159 4.617 4.640 -0.304 0.000 0.225 27 D C 0.356 176.162 176.300 -0.823 0.000 1.081 27 D CA -1.520 52.153 54.000 -0.546 0.000 0.864 27 D CB 0.515 41.124 40.800 -0.320 0.000 1.040 27 D HN 0.143 7.905 8.370 -1.012 0.000 0.517 28 M N 3.954 123.231 119.600 -0.539 0.000 2.446 28 M HA -0.137 3.886 4.480 -0.760 0.000 0.263 28 M C -0.265 175.822 176.300 -0.354 0.000 1.066 28 M CA 2.453 57.462 55.300 -0.485 0.000 1.087 28 M CB -0.432 32.057 32.600 -0.185 0.000 1.406 28 M HN 0.473 8.600 8.290 -0.271 0.000 0.459 29 Y N -4.984 115.266 120.300 -0.084 0.000 2.462 29 Y HA 0.116 4.860 4.550 0.055 -0.161 0.261 29 Y C -0.534 175.341 175.900 -0.042 0.000 1.146 29 Y CA 0.994 59.088 58.100 -0.010 0.000 1.283 29 Y CB 0.572 39.030 38.460 -0.003 0.000 1.090 29 Y HN -0.522 7.955 8.280 -0.061 -0.234 0.526 30 N N -1.563 117.117 118.700 -0.034 0.000 2.805 30 N HA 0.165 4.900 4.740 -0.007 0.000 0.216 30 N C -3.173 172.211 175.510 -0.210 0.000 1.447 30 N CA -2.206 50.807 53.050 -0.061 0.000 0.785 30 N CB 1.446 39.922 38.487 -0.017 0.000 1.458 30 N HN -0.720 7.556 8.380 -0.159 0.009 0.547 31 P HA 0.151 4.187 4.420 -0.732 -0.055 0.271 31 P C 0.956 178.128 177.300 -0.213 0.000 1.218 31 P CA -0.409 62.391 63.100 -0.501 0.000 0.780 31 P CB 1.062 32.399 31.700 -0.606 0.000 0.901 32 S N 2.116 117.703 115.700 -0.187 0.000 2.365 32 S HA -0.282 4.143 4.470 -0.075 0.000 0.225 32 S C 1.072 175.658 174.600 -0.023 0.000 1.039 32 S CA 3.141 61.295 58.200 -0.077 0.000 1.033 32 S CB -0.142 63.031 63.200 -0.045 0.000 0.887 32 S HN 0.530 8.693 8.310 -0.246 0.000 0.447 33 N N -0.078 118.625 118.700 0.006 0.000 2.378 33 N HA 0.062 4.820 4.740 0.030 0.000 0.243 33 N C 0.416 175.963 175.510 0.062 0.000 1.137 33 N CA -0.347 52.727 53.050 0.040 0.000 0.862 33 N CB -0.467 38.056 38.487 0.061 0.000 1.116 33 N HN 0.031 8.414 8.380 0.006 0.000 0.499 34 L N 2.076 123.331 121.223 0.053 0.000 2.129 34 L HA -0.268 4.157 4.340 0.142 0.000 0.212 34 L C 1.120 178.032 176.870 0.071 0.000 1.087 34 L CA 3.164 58.060 54.840 0.094 0.000 0.757 34 L CB -0.120 41.989 42.059 0.084 0.000 0.896 34 L HN -0.588 7.503 8.230 0.025 0.154 0.434 35 S N -0.933 114.790 115.700 0.037 0.000 2.442 35 S HA -0.240 4.229 4.470 -0.001 0.000 0.236 35 S C 1.246 175.842 174.600 -0.006 0.000 1.007 35 S CA 2.573 60.778 58.200 0.009 0.000 0.965 35 S CB -0.803 62.403 63.200 0.010 0.000 0.773 35 S HN 0.127 8.409 8.310 0.034 0.049 0.504 36 A N -1.082 121.752 122.820 0.024 0.000 2.168 36 A HA -0.069 4.262 4.320 0.019 0.000 0.215 36 A C -0.186 177.417 177.584 0.031 0.000 1.152 36 A CA 0.321 52.376 52.037 0.031 0.000 0.716 36 A CB 0.576 19.609 19.000 0.054 0.000 0.794 36 A HN -0.392 7.756 8.150 0.041 0.026 0.465 37 G N -4.322 104.489 108.800 0.019 0.000 2.697 37 G HA2 -0.255 nan 3.960 nan 0.000 0.684 37 G HA3 -0.255 nan 3.960 nan 0.000 0.684 37 G C -1.386 173.702 174.900 0.313 0.000 1.274 37 G CA -0.820 44.337 45.100 0.094 0.000 0.806 37 G HN -0.657 7.477 8.290 0.014 0.164 0.644 38 V N 2.476 122.750 119.914 0.600 0.000 2.358 38 V HA -0.374 4.010 4.120 0.440 0.000 0.246 38 V C 0.721 177.025 176.094 0.349 0.000 1.047 38 V CA 3.410 65.982 62.300 0.454 0.000 1.035 38 V CB -0.135 31.949 31.823 0.435 0.000 0.658 38 V HN 0.157 9.031 8.190 1.140 0.000 0.452 39 Q N -1.258 118.634 119.800 0.154 0.000 2.096 39 Q HA -0.265 4.074 4.340 -0.001 0.000 0.204 39 Q C 2.657 178.741 176.000 0.139 0.000 0.982 39 Q CA 3.778 59.607 55.803 0.044 0.000 0.850 39 Q CB -0.762 27.909 28.738 -0.111 0.000 0.901 39 Q HN 0.506 8.858 8.270 0.136 0.000 0.422 40 E N -1.150 119.139 120.200 0.148 0.000 2.110 40 E HA -0.318 4.086 4.350 0.090 0.000 0.193 40 E C 2.050 178.751 176.600 0.169 0.000 0.988 40 E CA 3.211 59.687 56.400 0.127 0.000 0.804 40 E CB -0.803 28.962 29.700 0.109 0.000 0.745 40 E HN 0.261 8.718 8.360 0.161 0.000 0.458 41 A N -1.052 121.912 122.820 0.239 0.000 1.898 41 A HA -0.130 4.298 4.320 0.179 0.000 0.216 41 A C 2.457 180.232 177.584 0.317 0.000 1.181 41 A CA 2.397 54.582 52.037 0.247 0.000 0.620 41 A CB -0.424 18.722 19.000 0.244 0.000 0.819 41 A HN -0.375 7.845 8.150 0.266 0.089 0.442 42 W N -1.601 119.807 121.300 0.179 0.000 2.436 42 W HA -0.262 4.482 4.660 0.140 0.000 0.284 42 W C 1.740 178.210 176.519 -0.082 0.000 1.225 42 W CA 3.561 60.952 57.345 0.077 0.000 1.271 42 W CB -0.336 29.137 29.460 0.022 0.000 1.114 42 W HN -0.236 8.346 8.180 0.671 0.000 0.559 43 A N -2.056 120.868 122.820 0.172 0.000 2.172 43 A HA -0.083 4.252 4.320 0.025 0.000 0.216 43 A C 1.389 178.980 177.584 0.012 0.000 1.154 43 A CA 2.068 54.137 52.037 0.053 0.000 0.701 43 A CB -0.956 18.066 19.000 0.038 0.000 0.789 43 A HN -0.045 8.141 8.150 0.210 0.089 0.465 44 V N -4.347 115.587 119.914 0.033 0.000 2.568 44 V HA -0.272 4.000 4.120 0.019 -0.141 0.253 44 V C 1.579 177.638 176.094 -0.058 0.000 1.072 44 V CA 1.980 64.289 62.300 0.016 0.000 1.084 44 V CB -0.994 30.873 31.823 0.073 0.000 0.676 44 V HN -0.702 7.497 8.190 0.077 0.037 0.469 45 L N -3.452 117.682 121.223 -0.149 0.000 2.549 45 L HA -0.239 3.945 4.340 -0.260 0.000 0.229 45 L C 0.680 177.437 176.870 -0.188 0.000 1.158 45 L CA 1.617 56.311 54.840 -0.243 0.000 0.842 45 L CB -0.538 41.293 42.059 -0.380 0.000 0.952 45 L HN -0.629 7.477 8.230 -0.163 0.026 0.452 46 Q N -5.855 113.873 119.800 -0.119 0.000 2.172 46 Q HA 0.066 4.337 4.340 -0.115 0.000 0.217 46 Q C -0.302 175.655 176.000 -0.071 0.000 0.832 46 Q CA -0.928 54.818 55.803 -0.096 0.000 1.010 46 Q CB 0.596 29.290 28.738 -0.073 0.000 1.133 46 Q HN -0.603 7.435 8.270 -0.091 0.177 0.489 47 E N 0.390 120.551 120.200 -0.065 0.000 3.196 47 E HA -0.111 4.222 4.350 -0.027 0.000 0.268 47 E C 0.809 177.384 176.600 -0.042 0.000 1.430 47 E CA 0.206 56.584 56.400 -0.036 0.000 1.176 47 E CB 0.791 30.485 29.700 -0.010 0.000 1.228 47 E HN -0.826 7.488 8.360 -0.076 0.000 0.730 48 S N -1.886 113.804 115.700 -0.017 0.000 2.388 48 S HA -0.119 4.338 4.470 -0.022 0.000 0.223 48 S C 0.547 175.145 174.600 -0.003 0.000 1.034 48 S CA 2.474 60.667 58.200 -0.012 0.000 0.963 48 S CB -0.011 63.190 63.200 0.002 0.000 0.827 48 S HN 0.656 8.964 8.310 -0.004 0.000 0.481 49 N N -1.058 117.657 118.700 0.025 0.000 2.461 49 N HA -0.091 4.692 4.740 0.071 0.000 0.188 49 N C -0.683 174.862 175.510 0.059 0.000 1.134 49 N CA 0.110 53.206 53.050 0.078 0.000 0.878 49 N CB -0.304 38.267 38.487 0.140 0.000 0.972 49 N HN -0.014 8.386 8.380 0.032 0.000 0.456 50 V N 2.328 122.173 119.914 -0.115 0.000 2.370 50 V HA 0.265 3.960 4.120 -0.709 0.000 0.283 50 V C -1.850 174.061 176.094 -0.306 0.000 1.023 50 V CA -2.868 59.167 62.300 -0.442 0.000 0.857 50 V CB -0.419 31.084 31.823 -0.535 0.000 0.985 50 V HN -0.326 7.734 8.190 -0.099 0.071 0.443 51 P HA 0.066 4.440 4.420 -0.076 0.000 0.270 51 P C -0.946 176.260 177.300 -0.157 0.000 1.227 51 P CA -0.743 62.277 63.100 -0.133 0.000 0.788 51 P CB 0.862 32.545 31.700 -0.028 0.000 0.926 52 D N -3.010 117.322 120.400 -0.113 0.000 2.178 52 D HA -0.183 4.367 4.640 -0.149 0.000 0.201 52 D C -0.373 175.853 176.300 -0.124 0.000 0.980 52 D CA 2.368 56.283 54.000 -0.142 0.000 0.842 52 D CB 0.467 41.160 40.800 -0.178 0.000 0.948 52 D HN 0.285 8.603 8.370 -0.087 0.000 0.472 53 L N -4.927 116.258 121.223 -0.063 0.000 2.385 53 L HA 0.618 5.155 4.340 0.044 -0.170 0.273 53 L C -1.611 175.349 176.870 0.151 0.000 0.990 53 L CA -1.230 53.633 54.840 0.039 0.000 0.821 53 L CB 3.355 45.422 42.059 0.013 0.000 1.279 53 L HN -0.724 7.458 8.230 -0.050 0.019 0.412 54 V N -4.437 115.629 119.914 0.253 0.000 3.130 54 V HA 0.696 5.146 4.120 0.388 -0.097 0.310 54 V C -2.846 173.523 176.094 0.458 0.000 1.158 54 V CA -3.019 59.474 62.300 0.323 0.000 1.029 54 V CB 3.758 35.637 31.823 0.094 0.000 1.057 54 V HN 0.068 8.396 8.190 0.230 0.000 0.436 55 W N 1.777 123.121 121.300 0.074 0.000 2.475 55 W HA 0.576 5.159 4.660 -0.380 -0.151 0.317 55 W C -1.965 174.428 176.519 -0.210 0.000 1.046 55 W CA -2.001 55.165 57.345 -0.298 0.000 1.215 55 W CB 2.450 31.513 29.460 -0.662 0.000 1.335 55 W HN 0.564 8.995 8.180 0.418 0.000 0.471 56 T N 9.295 123.355 114.554 -0.823 0.000 2.824 56 T HA 0.472 4.743 4.350 -0.295 -0.097 0.280 56 T C 0.008 174.204 174.700 -0.841 0.000 0.995 56 T CA -1.654 60.066 62.100 -0.633 0.000 1.009 56 T CB 1.966 70.510 68.868 -0.539 0.000 0.955 56 T HN 0.468 8.023 8.240 -1.141 0.000 0.452 57 R N 4.387 124.701 120.500 -0.311 0.000 2.310 57 R HA 0.161 4.449 4.340 -0.087 0.000 0.202 57 R C 0.136 176.353 176.300 -0.139 0.000 0.933 57 R CA 0.610 56.634 56.100 -0.126 0.000 1.054 57 R CB 0.160 30.483 30.300 0.038 0.000 0.985 57 R HN -0.014 8.427 8.270 -0.177 -0.277 0.489 58 C N -0.577 118.607 119.300 -0.193 0.000 2.656 58 C HA 0.210 4.789 4.460 -0.063 -0.157 0.391 58 C C 0.469 175.435 174.990 -0.041 0.000 1.300 58 C CA 0.964 59.920 59.018 -0.102 0.000 2.302 58 C CB 0.196 27.874 27.740 -0.104 0.000 2.655 58 C HN -0.379 7.647 8.230 -0.253 0.052 0.656 59 N N -0.285 118.437 118.700 0.036 0.000 2.721 59 N HA -0.426 4.366 4.740 0.087 0.000 0.249 59 N C -0.302 175.264 175.510 0.093 0.000 1.072 59 N CA 1.276 54.389 53.050 0.105 0.000 0.710 59 N CB -1.426 37.192 38.487 0.219 0.000 0.993 59 N HN 1.005 9.400 8.380 0.025 0.000 0.547 60 G N -4.717 104.110 108.800 0.046 0.000 2.217 60 G HA2 -0.376 nan 3.960 nan 0.000 0.246 60 G HA3 -0.376 nan 3.960 nan 0.000 0.246 60 G C -0.900 174.025 174.900 0.040 0.000 0.990 60 G CA 0.185 45.316 45.100 0.052 0.000 0.627 60 G HN 0.162 8.454 8.290 0.028 0.015 0.522 61 G N 0.767 109.517 108.800 -0.084 0.000 3.338 61 G HA2 -0.301 nan 3.960 nan 0.000 0.686 61 G HA3 -0.301 nan 3.960 nan 0.000 0.686 61 G C -2.718 171.733 174.900 -0.748 0.000 1.053 61 G CA -0.341 44.526 45.100 -0.389 0.000 0.852 61 G HN -0.413 7.760 8.290 -0.087 0.066 0.545 62 H N -2.626 115.462 119.070 -1.636 0.000 3.037 62 H HA 0.396 4.288 4.556 -1.106 0.000 0.336 62 H C -1.725 172.905 175.328 -1.163 0.000 1.323 62 H CA -1.588 53.745 56.048 -1.192 0.000 1.159 62 H CB 1.899 31.416 29.762 -0.408 0.000 1.882 62 H HN -0.099 6.883 8.280 -2.162 0.000 0.535 63 W N -2.311 118.905 121.300 -0.139 0.000 2.126 63 W HA 0.348 5.230 4.660 0.077 -0.176 0.346 63 W C 0.282 176.859 176.519 0.097 0.000 1.279 63 W CA -0.432 56.962 57.345 0.083 0.000 1.259 63 W CB 1.354 30.969 29.460 0.258 0.000 1.133 63 W HN 0.181 8.421 8.180 0.100 0.000 0.592 64 I N -1.220 119.539 120.570 0.315 0.000 2.512 64 I HA 0.594 5.074 4.170 0.189 -0.197 0.287 64 I C -1.385 174.797 176.117 0.108 0.000 1.069 64 I CA -1.349 60.051 61.300 0.167 0.000 1.056 64 I CB 3.158 41.173 38.000 0.024 0.000 1.229 64 I HN 0.601 9.023 8.210 0.355 0.000 0.429 65 A N 6.987 129.838 122.820 0.051 0.000 2.362 65 A HA 0.484 4.933 4.320 -0.018 -0.140 0.276 65 A C -0.036 177.511 177.584 -0.061 0.000 1.153 65 A CA -0.716 51.307 52.037 -0.022 0.000 0.813 65 A CB 1.241 20.205 19.000 -0.060 0.000 1.081 65 A HN -0.022 8.156 8.150 0.045 0.000 0.507 66 T N -2.216 112.279 114.554 -0.099 0.000 3.023 66 T HA 0.146 4.431 4.350 -0.109 0.000 0.253 66 T C 0.350 174.984 174.700 -0.110 0.000 1.038 66 T CA -0.522 61.507 62.100 -0.119 0.000 0.962 66 T CB 0.711 69.478 68.868 -0.167 0.000 1.018 66 T HN 0.395 8.568 8.240 -0.111 0.000 0.521 67 R N 0.030 120.459 120.500 -0.117 0.000 2.744 67 R HA 0.194 4.532 4.340 -0.095 -0.055 0.279 67 R C 0.671 176.907 176.300 -0.107 0.000 0.977 67 R CA -1.275 54.759 56.100 -0.110 0.000 0.906 67 R CB 3.223 33.451 30.300 -0.119 0.000 1.197 67 R HN -0.746 7.447 8.270 -0.129 0.000 0.463 68 G N 2.311 111.056 108.800 -0.090 0.000 2.469 68 G HA2 -0.410 nan 3.960 nan 0.000 0.220 68 G HA3 -0.410 nan 3.960 nan 0.000 0.220 68 G C 0.474 175.315 174.900 -0.099 0.000 1.136 68 G CA 2.219 47.265 45.100 -0.089 0.000 0.759 68 G HN 0.532 9.048 8.290 -0.084 -0.277 0.562 69 Q N 1.126 120.869 119.800 -0.095 0.000 2.061 69 Q HA -0.347 3.959 4.340 -0.057 0.000 0.204 69 Q C 2.129 178.077 176.000 -0.087 0.000 0.984 69 Q CA 3.178 58.935 55.803 -0.077 0.000 0.846 69 Q CB -0.104 28.596 28.738 -0.063 0.000 0.902 69 Q HN 0.138 8.351 8.270 -0.095 0.000 0.421 70 L N -1.744 119.372 121.223 -0.177 0.000 2.109 70 L HA -0.199 4.043 4.340 -0.163 0.000 0.207 70 L C 2.569 179.406 176.870 -0.054 0.000 1.086 70 L CA 3.120 57.852 54.840 -0.179 0.000 0.760 70 L CB -0.156 41.701 42.059 -0.337 0.000 0.910 70 L HN -0.670 7.439 8.230 -0.202 0.000 0.437 71 I N -0.619 119.891 120.570 -0.101 0.000 2.179 71 I HA -0.651 3.390 4.170 -0.216 0.000 0.242 71 I C 1.984 178.077 176.117 -0.041 0.000 1.088 71 I CA 4.532 65.765 61.300 -0.112 0.000 1.357 71 I CB -0.425 37.553 38.000 -0.037 0.000 1.051 71 I HN -0.386 7.761 8.210 -0.106 0.000 0.409 72 R N -1.779 118.684 120.500 -0.061 0.000 2.073 72 R HA -0.413 3.824 4.340 -0.172 0.000 0.234 72 R C 2.315 178.696 176.300 0.135 0.000 1.134 72 R CA 3.958 59.986 56.100 -0.121 0.000 0.952 72 R CB -0.309 29.783 30.300 -0.346 0.000 0.850 72 R HN -0.094 8.119 8.270 -0.094 0.000 0.433 73 E N -0.783 119.493 120.200 0.125 0.000 2.077 73 E HA -0.311 4.189 4.350 0.251 0.000 0.193 73 E C 1.910 178.621 176.600 0.184 0.000 0.989 73 E CA 2.845 59.388 56.400 0.238 0.000 0.800 73 E CB 0.011 29.928 29.700 0.362 0.000 0.746 73 E HN -0.625 7.786 8.360 0.084 0.000 0.452 74 A N -1.441 121.328 122.820 -0.085 0.000 1.930 74 A HA -0.198 3.715 4.320 -0.679 0.000 0.217 74 A C 2.587 180.017 177.584 -0.256 0.000 1.175 74 A CA 2.725 54.377 52.037 -0.643 0.000 0.627 74 A CB -0.451 17.703 19.000 -1.409 0.000 0.815 74 A HN -0.364 7.736 8.150 -0.083 0.000 0.443 75 Y N -2.940 117.372 120.300 0.021 0.000 2.352 75 Y HA -0.328 4.303 4.550 0.134 0.000 0.292 75 Y C 1.919 177.966 175.900 0.244 0.000 1.136 75 Y CA 3.399 61.597 58.100 0.163 0.000 1.227 75 Y CB -0.638 37.960 38.460 0.229 0.000 0.991 75 Y HN -0.501 7.757 8.280 -0.037 0.000 0.545 76 E N -2.615 117.820 120.200 0.393 0.000 2.158 76 E HA -0.207 4.314 4.350 0.285 0.000 0.191 76 E C 0.467 177.214 176.600 0.245 0.000 0.982 76 E CA 1.744 58.325 56.400 0.302 0.000 0.823 76 E CB 0.420 30.279 29.700 0.265 0.000 0.766 76 E HN -0.872 7.600 8.360 0.374 0.113 0.468 77 D N -0.214 120.334 120.400 0.247 0.000 2.564 77 D HA 0.124 4.742 4.640 -0.037 0.000 0.226 77 D C -0.163 176.238 176.300 0.169 0.000 1.149 77 D CA -2.299 51.790 54.000 0.149 0.000 0.994 77 D CB -1.122 39.861 40.800 0.305 0.000 1.029 77 D HN -0.686 7.748 8.370 0.279 0.103 0.517 78 Y N 0.681 121.079 120.300 0.162 0.000 2.571 78 Y HA 0.152 5.029 4.550 0.190 -0.212 0.294 78 Y C 0.721 176.631 175.900 0.016 0.000 1.141 78 Y CA 0.809 58.990 58.100 0.135 0.000 1.308 78 Y CB -0.790 37.756 38.460 0.143 0.000 1.002 78 Y HN -0.640 7.580 8.280 -0.100 0.000 0.551 79 R N -2.620 117.677 120.500 -0.338 0.000 2.115 79 R HA -0.216 4.020 4.340 -0.174 0.000 0.226 79 R C 1.222 177.230 176.300 -0.486 0.000 1.100 79 R CA 2.340 58.222 56.100 -0.363 0.000 0.980 79 R CB 0.041 30.029 30.300 -0.520 0.000 0.875 79 R HN -0.595 7.414 8.270 -0.568 -0.079 0.445 80 H N -2.853 115.971 119.070 -0.410 0.000 2.486 80 H HA 0.075 4.264 4.556 -0.612 0.000 0.287 80 H C -0.236 174.675 175.328 -0.694 0.000 1.010 80 H CA 2.373 57.983 56.048 -0.730 0.000 1.324 80 H CB 2.128 31.073 29.762 -1.362 0.000 1.446 80 H HN -0.716 7.538 8.280 -0.435 -0.236 0.537 81 F N -1.461 118.484 119.950 -0.009 0.000 2.359 81 F HA 0.372 5.018 4.527 -0.007 -0.124 0.370 81 F C -1.322 174.513 175.800 0.058 0.000 1.077 81 F CA -1.556 56.440 58.000 -0.005 0.000 1.136 81 F CB -0.410 38.545 39.000 -0.075 0.000 1.387 81 F HN -0.375 7.956 8.300 0.051 0.000 0.468 82 S N 4.467 120.273 115.700 0.176 0.000 2.586 82 S HA 0.391 5.119 4.470 0.194 -0.142 0.274 82 S C 0.862 175.536 174.600 0.123 0.000 1.281 82 S CA -1.360 56.932 58.200 0.153 0.000 1.035 82 S CB 1.560 64.817 63.200 0.095 0.000 0.962 82 S HN 0.232 8.620 8.310 0.130 0.000 0.512 83 S N 5.540 121.303 115.700 0.104 0.000 2.605 83 S HA 0.275 4.740 4.470 -0.007 0.000 0.217 83 S C 1.925 176.523 174.600 -0.003 0.000 0.958 83 S CA 0.609 58.812 58.200 0.006 0.000 0.919 83 S CB -0.362 62.759 63.200 -0.131 0.000 0.780 83 S HN 0.399 9.126 8.310 0.140 -0.333 0.507 84 E N 2.326 122.548 120.200 0.037 0.000 2.204 84 E HA -0.124 4.474 4.350 0.043 -0.222 0.194 84 E C -0.496 176.102 176.600 -0.002 0.000 0.989 84 E CA 2.067 58.486 56.400 0.032 0.000 0.824 84 E CB 0.487 30.213 29.700 0.043 0.000 0.756 84 E HN -0.540 7.793 8.360 0.057 0.062 0.477 85 C N -2.323 116.966 119.300 -0.018 0.000 3.188 85 C HA 0.556 5.170 4.460 -0.079 -0.202 0.230 85 C C -2.563 172.386 174.990 -0.068 0.000 1.239 85 C CA -3.020 55.969 59.018 -0.048 0.000 1.494 85 C CB -0.772 26.966 27.740 -0.004 0.000 1.798 85 C HN -0.354 7.857 8.230 0.001 0.019 0.458 86 P HA 0.224 4.775 4.420 -0.038 -0.154 0.257 86 P C -1.951 175.410 177.300 0.102 0.000 1.241 86 P CA 0.238 63.273 63.100 -0.108 0.000 0.816 86 P CB 0.927 32.450 31.700 -0.295 0.000 1.150 87 F N -2.794 116.966 119.950 -0.317 0.000 2.522 87 F HA 0.342 4.757 4.527 -0.186 0.000 0.324 87 F C -1.337 174.366 175.800 -0.162 0.000 1.077 87 F CA -2.423 55.437 58.000 -0.235 0.000 0.944 87 F CB 2.781 41.612 39.000 -0.281 0.000 1.175 87 F HN -0.624 7.661 8.300 -0.025 0.000 0.468 88 I N 3.296 123.868 120.570 0.005 0.000 2.412 88 I HA 0.198 4.357 4.170 -0.019 0.000 0.296 88 I C -1.692 174.518 176.117 0.154 0.000 0.987 88 I CA -3.307 57.978 61.300 -0.026 0.000 1.180 88 I CB 1.715 39.542 38.000 -0.289 0.000 1.340 88 I HN 0.091 8.258 8.210 -0.072 0.000 0.455 89 P HA 0.263 4.720 4.420 0.062 0.000 0.276 89 P C 0.142 177.464 177.300 0.036 0.000 1.261 89 P CA -1.268 61.875 63.100 0.073 0.000 0.800 89 P CB 1.300 33.039 31.700 0.065 0.000 1.066 90 R N 0.023 120.542 120.500 0.032 0.000 2.103 90 R HA -0.504 3.845 4.340 0.015 0.000 0.242 90 R C 2.017 178.317 176.300 0.000 0.000 1.142 90 R CA 4.410 60.523 56.100 0.022 0.000 0.960 90 R CB -0.208 30.118 30.300 0.044 0.000 0.858 90 R HN 0.751 9.047 8.270 0.042 0.000 0.439 91 E N -3.426 116.780 120.200 0.010 0.000 2.153 91 E HA -0.223 4.130 4.350 0.004 0.000 0.194 91 E C 1.545 178.124 176.600 -0.036 0.000 0.988 91 E CA 2.854 59.258 56.400 0.005 0.000 0.811 91 E CB -0.988 28.730 29.700 0.029 0.000 0.746 91 E HN 0.472 8.836 8.360 0.023 0.009 0.466 92 A N -0.070 122.711 122.820 -0.064 0.000 1.872 92 A HA -0.132 3.986 4.320 -0.338 0.000 0.214 92 A C 2.229 179.512 177.584 -0.502 0.000 1.187 92 A CA 2.728 54.586 52.037 -0.299 0.000 0.614 92 A CB -0.772 18.168 19.000 -0.100 0.000 0.826 92 A HN -0.380 7.760 8.150 -0.017 0.000 0.442 93 G N -2.178 106.491 108.800 -0.219 0.000 2.422 93 G HA2 -0.350 nan 3.960 nan 0.000 0.218 93 G HA3 -0.350 nan 3.960 nan 0.000 0.218 93 G C 2.125 176.927 174.900 -0.164 0.000 1.146 93 G CA 1.726 46.704 45.100 -0.203 0.000 0.769 93 G HN -0.290 7.936 8.290 -0.107 0.000 0.547 94 E N 1.976 122.110 120.200 -0.109 0.000 2.072 94 E HA -0.264 4.062 4.350 -0.041 0.000 0.191 94 E C 1.957 178.518 176.600 -0.066 0.000 0.985 94 E CA 2.097 58.462 56.400 -0.058 0.000 0.801 94 E CB 0.164 29.852 29.700 -0.020 0.000 0.750 94 E HN -0.137 8.166 8.360 -0.095 0.000 0.452 95 A N -1.296 121.467 122.820 -0.096 0.000 2.015 95 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 95 A C -0.014 177.513 177.584 -0.095 0.000 1.163 95 A CA 0.895 52.910 52.037 -0.036 0.000 0.646 95 A CB 0.274 19.337 19.000 0.106 0.000 0.806 95 A HN -0.588 7.490 8.150 -0.120 0.000 0.448 96 Y N 0.088 120.105 120.300 -0.472 0.000 2.677 96 Y HA -0.339 3.888 4.550 -0.538 0.000 0.335 96 Y C -1.041 174.651 175.900 -0.348 0.000 1.162 96 Y CA 1.506 59.253 58.100 -0.588 0.000 1.483 96 Y CB 0.449 38.365 38.460 -0.907 0.000 1.209 96 Y HN -0.649 7.392 8.280 -0.355 0.026 0.528 97 D N 4.236 124.335 120.400 -0.502 0.000 2.594 97 D HA 0.024 4.633 4.640 -0.052 0.000 0.256 97 D C -1.480 174.731 176.300 -0.149 0.000 1.393 97 D CA -1.579 52.310 54.000 -0.185 0.000 0.797 97 D CB 0.319 41.082 40.800 -0.061 0.000 1.110 97 D HN 0.166 8.019 8.370 -0.862 0.000 0.495 98 F N -0.521 119.195 119.950 -0.390 0.000 2.545 98 F HA -0.050 4.538 4.527 -0.135 -0.142 0.348 98 F C -0.002 175.750 175.800 -0.079 0.000 1.163 98 F CA -0.742 57.116 58.000 -0.238 0.000 1.331 98 F CB 0.611 39.391 39.000 -0.366 0.000 1.138 98 F HN -0.484 7.154 8.300 -1.103 0.000 0.602 99 I N -0.088 120.554 120.570 0.121 0.000 2.433 99 I HA 0.333 4.483 4.170 -0.033 0.000 0.292 99 I C -1.686 174.449 176.117 0.030 0.000 1.001 99 I CA -2.802 58.470 61.300 -0.047 0.000 1.119 99 I CB 2.333 40.125 38.000 -0.346 0.000 1.289 99 I HN -0.335 7.849 8.210 0.128 0.104 0.438 100 P HA 0.285 4.708 4.420 0.004 0.000 0.255 100 P C 0.316 177.778 177.300 0.269 0.000 1.248 100 P CA 0.881 64.055 63.100 0.123 0.000 0.807 100 P CB 0.131 31.930 31.700 0.166 0.000 1.150 101 T N -4.863 109.877 114.554 0.310 0.000 2.867 101 T HA -0.208 4.335 4.350 0.322 0.000 0.268 101 T C 1.363 176.182 174.700 0.197 0.000 1.057 101 T CA 2.171 64.450 62.100 0.299 0.000 1.136 101 T CB -0.914 68.173 68.868 0.365 0.000 0.874 101 T HN 0.180 8.539 8.240 0.292 0.057 0.466 102 S N 0.355 116.224 115.700 0.281 0.000 2.603 102 S HA 0.087 4.837 4.470 0.130 -0.201 0.220 102 S C -0.228 174.448 174.600 0.127 0.000 0.967 102 S CA 0.748 59.062 58.200 0.190 0.000 0.920 102 S CB 0.423 63.756 63.200 0.220 0.000 0.773 102 S HN -0.369 8.124 8.310 0.304 0.000 0.529 103 M N 0.737 120.442 119.600 0.175 0.000 2.508 103 M HA 0.163 4.712 4.480 0.115 0.000 0.327 103 M C -1.417 175.014 176.300 0.219 0.000 1.160 103 M CA 0.202 55.595 55.300 0.155 0.000 0.980 103 M CB 3.564 36.237 32.600 0.122 0.000 1.693 103 M HN -0.664 7.701 8.290 0.235 0.066 0.452 104 D N 1.538 122.018 120.400 0.135 0.000 2.294 104 D HA 0.482 5.204 4.640 0.136 0.000 0.250 104 D C -1.670 174.574 176.300 -0.094 0.000 1.058 104 D CA -1.873 52.167 54.000 0.066 0.000 0.950 104 D CB 0.584 41.441 40.800 0.095 0.000 1.158 104 D HN 0.286 8.721 8.370 0.108 0.000 0.453 105 P HA 0.029 4.311 4.420 -0.230 0.000 0.268 105 P C -1.538 175.659 177.300 -0.172 0.000 1.208 105 P CA -1.180 61.696 63.100 -0.373 0.000 0.777 105 P CB -0.470 30.768 31.700 -0.770 0.000 0.875 106 P HA -0.087 4.279 4.420 -0.088 0.000 0.224 106 P C 1.069 178.352 177.300 -0.028 0.000 1.157 106 P CA 1.792 64.861 63.100 -0.052 0.000 0.799 106 P CB 0.793 32.489 31.700 -0.006 0.000 0.809 107 E N -0.247 119.965 120.200 0.020 0.000 2.160 107 E HA -0.353 4.036 4.350 0.065 0.000 0.195 107 E C 1.756 178.455 176.600 0.165 0.000 0.991 107 E CA 2.424 58.877 56.400 0.090 0.000 0.810 107 E CB -0.684 29.098 29.700 0.137 0.000 0.742 107 E HN -0.143 8.231 8.360 0.023 0.000 0.466 108 Q N -1.504 118.361 119.800 0.108 0.000 2.135 108 Q HA -0.274 4.226 4.340 0.267 0.000 0.204 108 Q C 2.258 178.340 176.000 0.136 0.000 0.981 108 Q CA 2.832 58.724 55.803 0.147 0.000 0.856 108 Q CB -0.138 28.579 28.738 -0.036 0.000 0.902 108 Q HN -0.673 7.595 8.270 0.036 0.024 0.425 109 R N -2.488 118.010 120.500 -0.002 0.000 2.092 109 R HA -0.348 3.957 4.340 -0.057 0.000 0.231 109 R C 2.488 178.759 176.300 -0.049 0.000 1.119 109 R CA 3.393 59.465 56.100 -0.047 0.000 0.970 109 R CB -0.224 30.027 30.300 -0.080 0.000 0.864 109 R HN -0.676 7.516 8.270 -0.028 0.061 0.440 110 Q N -1.768 117.959 119.800 -0.121 0.000 2.234 110 Q HA -0.225 4.007 4.340 -0.180 0.000 0.206 110 Q C 1.549 177.380 176.000 -0.282 0.000 0.980 110 Q CA 2.512 58.164 55.803 -0.252 0.000 0.869 110 Q CB -0.788 27.706 28.738 -0.408 0.000 0.912 110 Q HN -0.106 8.094 8.270 -0.116 0.000 0.436 111 F N -1.682 118.258 119.950 -0.016 0.000 2.456 111 F HA -0.036 4.491 4.527 -0.001 0.000 0.298 111 F C 1.658 177.456 175.800 -0.004 0.000 1.104 111 F CA 2.651 60.650 58.000 -0.003 0.000 1.435 111 F CB -0.284 38.725 39.000 0.015 0.000 1.078 111 F HN -0.721 7.586 8.300 0.051 0.024 0.546 112 R N -0.861 119.712 120.500 0.123 0.000 2.096 112 R HA -0.396 3.997 4.340 0.088 0.000 0.235 112 R C 1.721 178.043 176.300 0.037 0.000 1.127 112 R CA 3.784 59.924 56.100 0.066 0.000 0.968 112 R CB -0.458 29.852 30.300 0.016 0.000 0.861 112 R HN -0.308 7.888 8.270 0.094 0.131 0.440 113 A N -1.670 121.154 122.820 0.006 0.000 1.933 113 A HA -0.217 4.099 4.320 -0.006 0.000 0.218 113 A C 1.706 179.293 177.584 0.004 0.000 1.175 113 A CA 2.972 55.005 52.037 -0.008 0.000 0.628 113 A CB -1.149 17.832 19.000 -0.033 0.000 0.814 113 A HN -0.226 7.918 8.150 -0.009 0.000 0.444 114 L N -1.051 120.183 121.223 0.019 0.000 2.056 114 L HA -0.250 4.098 4.340 0.014 0.000 0.207 114 L C 2.238 179.136 176.870 0.046 0.000 1.078 114 L CA 2.069 56.929 54.840 0.033 0.000 0.749 114 L CB -0.503 41.590 42.059 0.058 0.000 0.901 114 L HN -0.511 7.731 8.230 0.020 0.000 0.433 115 A N -0.980 121.881 122.820 0.069 0.000 1.933 115 A HA -0.383 3.975 4.320 0.063 0.000 0.218 115 A C 1.717 179.325 177.584 0.041 0.000 1.175 115 A CA 3.090 55.165 52.037 0.063 0.000 0.628 115 A CB -0.810 18.236 19.000 0.077 0.000 0.814 115 A HN -0.359 7.844 8.150 0.088 0.000 0.444 116 N N -3.183 115.535 118.700 0.030 0.000 2.289 116 N HA -0.271 4.481 4.740 0.020 0.000 0.184 116 N C 2.457 177.967 175.510 -0.001 0.000 1.016 116 N CA 2.821 55.880 53.050 0.014 0.000 0.872 116 N CB -0.254 38.237 38.487 0.006 0.000 0.973 116 N HN -0.126 8.273 8.380 0.031 0.000 0.433 117 Q N -3.205 116.595 119.800 -0.000 0.000 2.364 117 Q HA -0.205 4.124 4.340 -0.019 0.000 0.207 117 Q C 0.872 176.865 176.000 -0.011 0.000 0.970 117 Q CA 2.256 58.053 55.803 -0.010 0.000 0.888 117 Q CB 0.494 29.227 28.738 -0.008 0.000 0.951 117 Q HN -0.436 7.716 8.270 0.006 0.121 0.469 118 V N -9.960 109.954 119.914 0.001 0.000 3.570 118 V HA 0.180 4.288 4.120 -0.019 0.000 0.257 118 V C 0.696 176.792 176.094 0.004 0.000 1.272 118 V CA 0.777 63.075 62.300 -0.004 0.000 1.079 118 V CB 1.201 33.025 31.823 0.001 0.000 0.829 118 V HN -0.609 7.440 8.190 0.012 0.148 0.454 119 V N -6.412 113.515 119.914 0.021 0.000 3.398 119 V HA 0.555 4.692 4.120 0.028 0.000 0.298 119 V C -0.103 176.004 176.094 0.022 0.000 1.496 119 V CA -1.176 61.145 62.300 0.034 0.000 1.044 119 V CB 0.452 32.319 31.823 0.073 0.000 0.880 119 V HN -0.399 7.804 8.190 0.023 0.000 0.443 120 G N -0.697 108.102 108.800 -0.002 0.000 2.611 120 G HA2 0.167 nan 3.960 nan 0.000 0.273 120 G HA3 0.167 nan 3.960 nan 0.000 0.273 120 G C -0.398 174.421 174.900 -0.136 0.000 1.305 120 G CA -0.698 44.382 45.100 -0.033 0.000 1.010 120 G HN -0.562 7.724 8.290 -0.007 0.000 0.509 121 M N 0.358 119.747 119.600 -0.352 0.000 2.080 121 M HA -0.193 3.996 4.480 -0.484 0.000 0.260 121 M C -0.912 175.258 176.300 -0.217 0.000 1.068 121 M CA 5.924 60.934 55.300 -0.484 0.000 1.109 121 M CB -1.682 30.457 32.600 -0.768 0.000 1.342 121 M HN 0.576 8.626 8.290 -0.400 0.000 0.405 122 P HA -0.265 4.102 4.420 -0.089 0.000 0.216 122 P C 0.905 178.163 177.300 -0.070 0.000 1.150 122 P CA 2.913 65.956 63.100 -0.095 0.000 0.843 122 P CB -0.746 30.909 31.700 -0.074 0.000 0.787 123 V N -3.342 116.532 119.914 -0.066 0.000 2.427 123 V HA -0.410 3.683 4.120 -0.044 0.000 0.248 123 V C 1.847 177.917 176.094 -0.041 0.000 1.051 123 V CA 3.399 65.671 62.300 -0.048 0.000 1.048 123 V CB -0.715 31.084 31.823 -0.040 0.000 0.666 123 V HN -0.685 7.461 8.190 -0.073 0.000 0.456 124 V N 0.075 119.961 119.914 -0.046 0.000 2.323 124 V HA -0.450 3.664 4.120 -0.010 0.000 0.244 124 V C 2.339 178.424 176.094 -0.016 0.000 1.041 124 V CA 4.211 66.498 62.300 -0.022 0.000 1.025 124 V CB -0.934 30.884 31.823 -0.007 0.000 0.656 124 V HN -0.389 7.584 8.190 -0.066 0.177 0.451 125 D N -1.633 118.745 120.400 -0.036 0.000 2.149 125 D HA -0.236 4.400 4.640 -0.007 0.000 0.198 125 D C 2.774 179.067 176.300 -0.012 0.000 0.990 125 D CA 3.373 57.360 54.000 -0.022 0.000 0.839 125 D CB -0.694 40.084 40.800 -0.037 0.000 0.948 125 D HN 0.326 8.659 8.370 -0.062 0.000 0.460 126 K N -1.480 118.907 120.400 -0.021 0.000 2.155 126 K HA -0.217 4.096 4.320 -0.013 0.000 0.203 126 K C 1.012 177.606 176.600 -0.010 0.000 1.052 126 K CA 2.017 58.294 56.287 -0.017 0.000 0.948 126 K CB -0.091 32.395 32.500 -0.025 0.000 0.728 126 K HN -0.515 7.697 8.250 -0.030 0.019 0.448 127 L N -0.650 120.567 121.223 -0.010 0.000 2.554 127 L HA -0.120 4.214 4.340 -0.011 0.000 0.226 127 L C 1.248 178.127 176.870 0.015 0.000 1.137 127 L CA 0.609 55.445 54.840 -0.006 0.000 0.863 127 L CB -0.663 41.386 42.059 -0.017 0.000 0.985 127 L HN 0.121 8.158 8.230 -0.014 0.185 0.451 128 E N 0.012 120.225 120.200 0.022 0.000 2.070 128 E HA -0.510 3.874 4.350 0.057 0.000 0.197 128 E C 2.273 178.906 176.600 0.054 0.000 1.004 128 E CA 3.896 60.322 56.400 0.044 0.000 0.805 128 E CB -0.914 28.809 29.700 0.038 0.000 0.744 128 E HN -0.137 8.147 8.360 0.014 0.084 0.451 129 N N -1.434 117.289 118.700 0.039 0.000 2.120 129 N HA -0.232 4.536 4.740 0.047 0.000 0.188 129 N C 2.472 178.013 175.510 0.052 0.000 1.024 129 N CA 2.863 55.938 53.050 0.042 0.000 0.852 129 N CB -0.523 37.980 38.487 0.027 0.000 1.003 129 N HN 0.088 8.485 8.380 0.028 0.000 0.424 130 R N 0.405 120.931 120.500 0.044 0.000 2.115 130 R HA -0.200 4.313 4.340 0.050 -0.143 0.230 130 R C 2.514 178.867 176.300 0.088 0.000 1.111 130 R CA 3.092 59.221 56.100 0.048 0.000 0.976 130 R CB -0.126 30.186 30.300 0.020 0.000 0.870 130 R HN -0.754 7.535 8.270 0.032 0.000 0.445 131 I N 0.414 121.045 120.570 0.100 0.000 2.142 131 I HA -0.567 3.716 4.170 0.187 0.000 0.240 131 I C 1.359 177.654 176.117 0.296 0.000 1.078 131 I CA 4.438 65.853 61.300 0.192 0.000 1.343 131 I CB -0.158 37.934 38.000 0.154 0.000 1.046 131 I HN 0.020 8.276 8.210 0.076 0.000 0.405 132 Q N -0.565 119.346 119.800 0.185 0.000 2.030 132 Q HA -0.481 3.952 4.340 0.154 0.000 0.204 132 Q C 1.730 177.803 176.000 0.122 0.000 0.986 132 Q CA 3.308 59.197 55.803 0.143 0.000 0.843 132 Q CB -0.565 28.229 28.738 0.093 0.000 0.904 132 Q HN -0.257 8.100 8.270 0.145 0.000 0.420 133 E N -0.518 119.745 120.200 0.104 0.000 2.058 133 E HA -0.378 4.010 4.350 0.064 0.000 0.194 133 E C 2.325 178.986 176.600 0.102 0.000 0.997 133 E CA 2.991 59.440 56.400 0.082 0.000 0.801 133 E CB -0.091 29.647 29.700 0.063 0.000 0.746 133 E HN -0.482 7.937 8.360 0.098 0.000 0.450 134 L N -0.395 120.920 121.223 0.153 0.000 2.056 134 L HA -0.159 4.258 4.340 0.128 0.000 0.207 134 L C 1.659 178.640 176.870 0.185 0.000 1.078 134 L CA 2.836 57.785 54.840 0.182 0.000 0.749 134 L CB -0.434 41.766 42.059 0.234 0.000 0.901 134 L HN -0.475 7.859 8.230 0.173 0.000 0.433 135 A N -0.634 122.292 122.820 0.177 0.000 1.883 135 A HA -0.466 3.758 4.320 -0.159 0.000 0.217 135 A C 1.535 179.153 177.584 0.057 0.000 1.186 135 A CA 3.594 55.601 52.037 -0.049 0.000 0.624 135 A CB -1.142 17.734 19.000 -0.206 0.000 0.822 135 A HN -0.217 8.102 8.150 0.282 0.000 0.444 136 C N -3.103 116.224 119.300 0.043 0.000 2.429 136 C HA -0.380 4.070 4.460 -0.017 0.000 0.277 136 C C 2.131 177.131 174.990 0.016 0.000 1.262 136 C CA 4.454 63.479 59.018 0.012 0.000 1.733 136 C CB -1.925 25.822 27.740 0.012 0.000 2.010 136 C HN -0.268 7.997 8.230 0.058 0.000 0.483 137 S N 1.187 116.914 115.700 0.044 0.000 2.371 137 S HA -0.293 4.191 4.470 0.023 0.000 0.224 137 S C 1.989 176.621 174.600 0.053 0.000 1.029 137 S CA 3.671 61.894 58.200 0.039 0.000 0.978 137 S CB -0.975 62.252 63.200 0.044 0.000 0.833 137 S HN -0.187 8.158 8.310 0.058 0.000 0.466 138 L N 2.575 123.854 121.223 0.093 0.000 2.046 138 L HA -0.264 4.140 4.340 0.107 0.000 0.208 138 L C 2.470 179.418 176.870 0.129 0.000 1.077 138 L CA 3.073 57.995 54.840 0.137 0.000 0.747 138 L CB -0.221 41.954 42.059 0.194 0.000 0.896 138 L HN -0.342 7.951 8.230 0.105 0.000 0.432 139 I N -2.051 118.564 120.570 0.075 0.000 2.252 139 I HA -0.554 3.521 4.170 -0.159 0.000 0.245 139 I C 1.851 177.861 176.117 -0.179 0.000 1.102 139 I CA 4.249 65.464 61.300 -0.142 0.000 1.385 139 I CB -0.159 37.667 38.000 -0.289 0.000 1.064 139 I HN -0.321 7.944 8.210 0.092 0.000 0.414 140 E N 0.442 120.581 120.200 -0.101 0.000 2.110 140 E HA -0.308 3.972 4.350 -0.117 0.000 0.193 140 E C 1.834 178.417 176.600 -0.028 0.000 0.988 140 E CA 2.623 58.976 56.400 -0.078 0.000 0.804 140 E CB -0.447 29.224 29.700 -0.047 0.000 0.745 140 E HN -0.230 8.090 8.360 -0.068 0.000 0.458 141 S N -1.421 114.282 115.700 0.006 0.000 2.382 141 S HA -0.188 4.299 4.470 0.028 0.000 0.228 141 S C 1.688 176.324 174.600 0.060 0.000 1.027 141 S CA 3.036 61.257 58.200 0.034 0.000 0.991 141 S CB -0.059 63.170 63.200 0.047 0.000 0.823 141 S HN -0.458 7.859 8.310 0.012 0.000 0.469 142 L N -0.817 120.452 121.223 0.075 0.000 2.179 142 L HA -0.132 4.316 4.340 0.181 0.000 0.208 142 L C 1.668 178.699 176.870 0.269 0.000 1.096 142 L CA 1.950 56.896 54.840 0.176 0.000 0.779 142 L CB -0.210 41.987 42.059 0.230 0.000 0.922 142 L HN -0.745 7.511 8.230 0.045 0.000 0.443 143 R N 0.156 120.711 120.500 0.091 0.000 2.112 143 R HA -0.366 4.020 4.340 0.077 0.000 0.242 143 R C -0.385 176.107 176.300 0.319 0.000 1.137 143 R CA 5.217 61.383 56.100 0.110 0.000 0.944 143 R CB -1.933 28.298 30.300 -0.114 0.000 0.857 143 R HN -0.196 8.058 8.270 -0.028 0.000 0.435 144 P HA -0.008 4.485 4.420 0.122 0.000 0.233 144 P C 0.522 177.859 177.300 0.063 0.000 1.167 144 P CA 1.494 64.660 63.100 0.111 0.000 0.770 144 P CB -0.411 31.321 31.700 0.052 0.000 0.837 145 Q N -2.343 117.490 119.800 0.055 0.000 2.230 145 Q HA -0.123 4.177 4.340 -0.067 0.000 0.202 145 Q C 1.297 177.110 176.000 -0.311 0.000 0.963 145 Q CA 0.776 56.529 55.803 -0.082 0.000 0.866 145 Q CB 0.244 28.951 28.738 -0.053 0.000 0.931 145 Q HN -0.133 8.170 8.270 0.131 0.046 0.452 146 G N -1.809 106.623 108.800 -0.614 0.000 2.155 146 G HA2 -0.460 nan 3.960 nan 0.000 0.257 146 G HA3 -0.460 nan 3.960 nan 0.000 0.257 146 G C -1.849 172.109 174.900 -1.571 0.000 0.983 146 G CA 0.221 44.527 45.100 -1.324 0.000 0.676 146 G HN -0.370 7.707 8.290 -0.353 0.000 0.528 147 Q N -6.354 112.576 119.800 -1.451 0.000 2.647 147 Q HA 0.803 4.791 4.340 -0.897 -0.185 0.283 147 Q C -2.612 173.205 176.000 -0.306 0.000 0.943 147 Q CA -1.460 53.852 55.803 -0.819 0.000 0.813 147 Q CB 3.591 32.113 28.738 -0.360 0.000 1.477 147 Q HN -0.683 6.834 8.270 -1.183 0.043 0.393 148 C N -3.429 115.912 119.300 0.070 0.000 3.311 148 C HA 0.518 5.068 4.460 0.150 0.000 0.325 148 C C -2.104 173.018 174.990 0.219 0.000 1.352 148 C CA -2.101 57.059 59.018 0.237 0.000 1.308 148 C CB 3.839 31.870 27.740 0.485 0.000 1.619 148 C HN 0.336 8.631 8.230 0.109 0.000 0.469 149 N N 1.256 120.063 118.700 0.179 0.000 2.645 149 N HA 0.319 5.152 4.740 0.156 0.000 0.233 149 N C -0.292 175.329 175.510 0.186 0.000 1.058 149 N CA -0.724 52.418 53.050 0.154 0.000 0.942 149 N CB -0.033 38.509 38.487 0.091 0.000 1.210 149 N HN 0.085 8.866 8.380 0.156 -0.308 0.512 150 F N 5.635 125.634 119.950 0.083 0.000 2.161 150 F HA -0.287 4.313 4.527 0.122 0.000 0.300 150 F C 0.786 176.619 175.800 0.055 0.000 1.089 150 F CA 4.599 62.635 58.000 0.060 0.000 1.282 150 F CB 0.336 39.296 39.000 -0.067 0.000 1.010 150 F HN 0.334 8.847 8.300 0.355 0.000 0.485 151 T N -3.903 110.693 114.554 0.071 0.000 2.708 151 T HA -0.252 4.064 4.350 -0.058 0.000 0.266 151 T C 2.071 176.723 174.700 -0.080 0.000 1.037 151 T CA 3.215 65.299 62.100 -0.026 0.000 1.146 151 T CB -0.860 68.016 68.868 0.013 0.000 0.865 151 T HN 0.086 8.415 8.240 0.148 0.000 0.435 152 E N 0.343 120.525 120.200 -0.031 0.000 2.250 152 E HA -0.129 4.200 4.350 -0.035 0.000 0.192 152 E C 1.069 177.650 176.600 -0.031 0.000 0.986 152 E CA 1.830 58.215 56.400 -0.024 0.000 0.849 152 E CB 0.117 29.821 29.700 0.007 0.000 0.797 152 E HN -0.537 7.826 8.360 0.004 0.000 0.482 153 D N -1.413 118.973 120.400 -0.023 0.000 2.346 153 D HA 0.043 4.705 4.640 0.036 0.000 0.206 153 D C -0.585 175.730 176.300 0.024 0.000 1.001 153 D CA 2.095 56.114 54.000 0.031 0.000 0.871 153 D CB 1.319 42.190 40.800 0.119 0.000 0.943 153 D HN -0.239 8.114 8.370 -0.027 0.000 0.518 154 Y N -1.663 118.448 120.300 -0.316 0.000 3.006 154 Y HA 0.043 4.503 4.550 -0.150 0.000 0.236 154 Y C -0.296 175.376 175.900 -0.380 0.000 1.088 154 Y CA 1.988 59.863 58.100 -0.374 0.000 1.307 154 Y CB 2.129 40.255 38.460 -0.556 0.000 1.445 154 Y HN -0.484 7.638 8.280 -0.262 0.000 0.433 155 A N -0.151 122.360 122.820 -0.516 0.000 1.940 155 A HA -0.396 3.892 4.320 -0.053 0.000 0.219 155 A C 1.862 179.374 177.584 -0.120 0.000 1.176 155 A CA 3.705 55.605 52.037 -0.228 0.000 0.631 155 A CB -0.615 18.289 19.000 -0.161 0.000 0.814 155 A HN 0.068 7.726 8.150 -0.820 0.000 0.446 156 E N -2.577 117.541 120.200 -0.136 0.000 2.014 156 E HA -0.174 4.134 4.350 -0.071 0.000 0.190 156 E C -0.397 176.144 176.600 -0.098 0.000 0.980 156 E CA 4.071 60.417 56.400 -0.090 0.000 0.807 156 E CB -1.592 28.069 29.700 -0.065 0.000 0.770 156 E HN -0.388 7.877 8.360 -0.159 0.000 0.451 157 P HA -0.162 4.222 4.420 -0.061 0.000 0.218 157 P C 1.334 178.575 177.300 -0.098 0.000 1.149 157 P CA 2.318 65.367 63.100 -0.085 0.000 0.817 157 P CB -0.285 31.376 31.700 -0.065 0.000 0.785 158 F N 0.738 120.460 119.950 -0.381 0.000 2.031 158 F HA -0.157 4.176 4.527 -0.324 0.000 0.295 158 F C -1.832 173.861 175.800 -0.178 0.000 1.133 158 F CA 4.892 62.651 58.000 -0.402 0.000 1.188 158 F CB -2.568 35.900 39.000 -0.887 0.000 0.974 158 F HN -0.093 8.075 8.300 -0.219 0.000 0.473 159 P HA -0.194 3.866 4.420 -0.599 0.000 0.219 159 P C 1.535 178.728 177.300 -0.179 0.000 1.150 159 P CA 2.598 65.464 63.100 -0.389 0.000 0.814 159 P CB -0.254 31.345 31.700 -0.168 0.000 0.787 160 I N -2.318 118.186 120.570 -0.109 0.000 2.286 160 I HA -0.367 3.814 4.170 0.019 0.000 0.245 160 I C 2.057 178.179 176.117 0.008 0.000 1.104 160 I CA 3.827 65.115 61.300 -0.021 0.000 1.397 160 I CB -0.183 37.800 38.000 -0.028 0.000 1.072 160 I HN -0.353 7.786 8.210 -0.117 0.000 0.417 161 R N -1.285 119.188 120.500 -0.045 0.000 2.115 161 R HA -0.364 3.972 4.340 -0.006 0.000 0.230 161 R C 2.625 178.894 176.300 -0.052 0.000 1.111 161 R CA 3.712 59.793 56.100 -0.031 0.000 0.976 161 R CB -0.110 30.174 30.300 -0.027 0.000 0.870 161 R HN -0.370 7.856 8.270 -0.074 0.000 0.445 162 I N 0.154 120.657 120.570 -0.112 0.000 2.179 162 I HA -0.539 3.568 4.170 -0.106 0.000 0.242 162 I C 1.433 177.508 176.117 -0.070 0.000 1.088 162 I CA 4.156 65.383 61.300 -0.121 0.000 1.357 162 I CB -0.099 37.761 38.000 -0.232 0.000 1.051 162 I HN -0.661 7.445 8.210 -0.173 0.000 0.409 163 F N 1.086 120.963 119.950 -0.122 0.000 2.134 163 F HA -0.444 4.037 4.527 -0.077 0.000 0.299 163 F C 1.382 177.149 175.800 -0.054 0.000 1.097 163 F CA 4.037 61.987 58.000 -0.083 0.000 1.264 163 F CB 0.451 39.403 39.000 -0.080 0.000 1.001 163 F HN -0.445 7.919 8.300 0.107 0.000 0.479 164 M N -1.952 117.637 119.600 -0.018 0.000 2.213 164 M HA -0.346 4.091 4.480 -0.073 0.000 0.263 164 M C 2.299 178.514 176.300 -0.143 0.000 1.062 164 M CA 1.887 57.151 55.300 -0.060 0.000 1.105 164 M CB -1.240 31.384 32.600 0.041 0.000 1.385 164 M HN 0.050 8.392 8.290 0.086 0.000 0.417 165 L N 0.775 121.922 121.223 -0.127 0.000 1.994 165 L HA -0.239 4.049 4.340 -0.087 0.000 0.208 165 L C 2.463 179.229 176.870 -0.172 0.000 1.071 165 L CA 3.451 58.222 54.840 -0.116 0.000 0.745 165 L CB -0.492 41.518 42.059 -0.082 0.000 0.892 165 L HN -0.308 7.861 8.230 -0.101 0.000 0.431 166 L N -0.291 120.782 121.223 -0.250 0.000 2.042 166 L HA -0.416 3.808 4.340 -0.193 0.000 0.210 166 L C 0.572 177.242 176.870 -0.334 0.000 1.076 166 L CA 2.895 57.564 54.840 -0.285 0.000 0.749 166 L CB -0.305 41.548 42.059 -0.343 0.000 0.893 166 L HN -0.220 7.853 8.230 -0.262 0.000 0.432 167 A N -5.175 117.348 122.820 -0.495 0.000 2.218 167 A HA 0.068 4.193 4.320 -0.325 0.000 0.209 167 A C 0.059 177.539 177.584 -0.173 0.000 1.168 167 A CA 0.049 51.852 52.037 -0.389 0.000 0.804 167 A CB 0.270 18.932 19.000 -0.563 0.000 0.834 167 A HN -0.245 7.527 8.150 -0.606 0.014 0.482 168 G N -1.492 107.223 108.800 -0.142 0.000 2.273 168 G HA2 -0.337 nan 3.960 nan 0.000 0.280 168 G HA3 -0.337 nan 3.960 nan 0.000 0.280 168 G C -0.576 174.308 174.900 -0.026 0.000 1.047 168 G CA 0.687 45.745 45.100 -0.070 0.000 0.869 168 G HN -0.545 7.483 8.290 -0.167 0.162 0.502 169 L N -0.553 120.665 121.223 -0.008 0.000 2.334 169 L HA 0.352 4.739 4.340 0.080 0.000 0.276 169 L C -2.237 174.672 176.870 0.064 0.000 1.014 169 L CA -3.435 51.448 54.840 0.071 0.000 0.815 169 L CB 1.135 43.286 42.059 0.153 0.000 1.268 169 L HN -0.512 7.694 8.230 -0.040 0.000 0.428 170 P HA 0.136 4.580 4.420 0.041 0.000 0.271 170 P C 0.133 177.473 177.300 0.067 0.000 1.216 170 P CA -0.595 62.543 63.100 0.064 0.000 0.771 170 P CB 0.738 32.479 31.700 0.068 0.000 0.864 171 E N 3.891 124.117 120.200 0.043 0.000 2.204 171 E HA -0.440 3.934 4.350 0.040 0.000 0.195 171 E C 1.838 178.463 176.600 0.042 0.000 0.990 171 E CA 3.473 59.896 56.400 0.037 0.000 0.821 171 E CB -0.331 29.383 29.700 0.023 0.000 0.750 171 E HN 0.540 8.919 8.360 0.032 0.000 0.477 172 E N -2.758 117.468 120.200 0.045 0.000 2.267 172 E HA -0.250 4.122 4.350 0.037 0.000 0.197 172 E C 1.103 177.741 176.600 0.062 0.000 0.998 172 E CA 2.355 58.782 56.400 0.045 0.000 0.830 172 E CB -1.149 28.575 29.700 0.040 0.000 0.751 172 E HN 0.348 8.717 8.360 0.043 0.017 0.491 173 D N -1.049 119.402 120.400 0.086 0.000 2.355 173 D HA 0.109 4.822 4.640 0.121 0.000 0.218 173 D C 0.982 177.318 176.300 0.060 0.000 1.004 173 D CA 0.943 55.008 54.000 0.108 0.000 0.880 173 D CB 0.257 41.167 40.800 0.184 0.000 0.911 173 D HN -0.524 7.756 8.370 0.090 0.144 0.528 174 I N 1.272 121.869 120.570 0.044 0.000 2.163 174 I HA -0.267 3.903 4.170 0.001 0.000 0.243 174 I C -1.469 174.662 176.117 0.022 0.000 1.085 174 I CA 6.638 67.950 61.300 0.019 0.000 1.347 174 I CB -2.264 35.747 38.000 0.017 0.000 1.044 174 I HN -0.447 7.590 8.210 0.047 0.201 0.408 175 P HA -0.263 4.183 4.420 0.045 0.000 0.215 175 P C 1.501 178.859 177.300 0.096 0.000 1.153 175 P CA 3.468 66.603 63.100 0.058 0.000 0.853 175 P CB -0.561 31.170 31.700 0.052 0.000 0.788 176 H N -1.657 117.415 119.070 0.002 0.000 2.299 176 H HA -0.168 4.414 4.556 0.043 0.000 0.302 176 H C 2.070 177.399 175.328 0.003 0.000 1.078 176 H CA 3.600 59.656 56.048 0.014 0.000 1.323 176 H CB -0.087 29.668 29.762 -0.012 0.000 1.381 176 H HN -0.592 7.802 8.280 0.191 0.000 0.498 177 L N -1.657 119.460 121.223 -0.176 0.000 2.083 177 L HA -0.436 3.643 4.340 -0.436 0.000 0.209 177 L C 2.028 178.777 176.870 -0.202 0.000 1.083 177 L CA 2.912 57.572 54.840 -0.299 0.000 0.752 177 L CB -0.324 41.564 42.059 -0.284 0.000 0.899 177 L HN -0.294 7.897 8.230 -0.065 0.000 0.433 178 K N -0.540 119.797 120.400 -0.104 0.000 2.057 178 K HA -0.234 4.023 4.320 -0.105 0.000 0.206 178 K C 1.952 178.513 176.600 -0.065 0.000 1.050 178 K CA 1.759 58.001 56.287 -0.076 0.000 0.935 178 K CB -0.702 31.779 32.500 -0.032 0.000 0.715 178 K HN 0.093 8.302 8.250 -0.068 0.000 0.439 179 Y N 0.229 120.454 120.300 -0.125 0.000 2.097 179 Y HA -0.378 4.127 4.550 -0.075 0.000 0.282 179 Y C 1.619 177.431 175.900 -0.147 0.000 1.152 179 Y CA 3.458 61.492 58.100 -0.110 0.000 1.136 179 Y CB -0.148 38.259 38.460 -0.088 0.000 0.975 179 Y HN -0.647 7.693 8.280 0.101 0.000 0.498 180 L N -3.450 117.551 121.223 -0.369 0.000 2.017 180 L HA -0.482 3.476 4.340 -0.637 0.000 0.208 180 L C 2.452 179.090 176.870 -0.386 0.000 1.073 180 L CA 2.830 57.391 54.840 -0.465 0.000 0.745 180 L CB -0.181 41.662 42.059 -0.359 0.000 0.894 180 L HN -0.419 7.684 8.230 -0.211 0.000 0.432 181 T N -3.798 110.591 114.554 -0.275 0.000 2.788 181 T HA -0.317 3.931 4.350 -0.171 0.000 0.268 181 T C 2.403 177.015 174.700 -0.146 0.000 1.044 181 T CA 3.228 65.217 62.100 -0.185 0.000 1.139 181 T CB -0.742 68.035 68.868 -0.151 0.000 0.867 181 T HN -0.197 7.888 8.240 -0.257 0.000 0.454 182 D N 2.222 122.514 120.400 -0.180 0.000 2.218 182 D HA -0.071 4.534 4.640 -0.058 0.000 0.204 182 D C 2.037 178.243 176.300 -0.157 0.000 0.976 182 D CA 2.990 56.913 54.000 -0.129 0.000 0.853 182 D CB -0.725 40.005 40.800 -0.115 0.000 0.939 182 D HN -0.193 8.051 8.370 -0.209 0.000 0.481 183 Q N -2.880 116.732 119.800 -0.313 0.000 2.297 183 Q HA -0.142 4.070 4.340 -0.214 0.000 0.204 183 Q C 1.331 177.261 176.000 -0.117 0.000 0.962 183 Q CA 1.354 56.993 55.803 -0.275 0.000 0.879 183 Q CB -0.621 27.852 28.738 -0.442 0.000 0.947 183 Q HN -0.626 7.262 8.270 -0.435 0.121 0.462 184 M N -3.563 115.989 119.600 -0.081 0.000 2.506 184 M HA -0.000 4.584 4.480 0.174 0.000 0.260 184 M C 0.827 177.377 176.300 0.417 0.000 1.104 184 M CA 2.165 57.552 55.300 0.145 0.000 1.112 184 M CB 0.758 33.375 32.600 0.028 0.000 1.401 184 M HN -0.534 7.545 8.290 -0.129 0.133 0.473 185 T N -6.174 108.520 114.554 0.233 0.000 3.019 185 T HA 0.164 4.657 4.350 0.237 0.000 0.247 185 T C 0.121 174.969 174.700 0.247 0.000 0.992 185 T CA 0.741 62.974 62.100 0.222 0.000 1.036 185 T CB 2.137 71.094 68.868 0.148 0.000 1.063 185 T HN -0.612 7.600 8.240 0.129 0.105 0.476 186 R N 0.313 120.911 120.500 0.164 0.000 2.638 186 R HA 0.541 5.056 4.340 0.291 0.000 0.261 186 R C -2.733 173.593 176.300 0.044 0.000 1.515 186 R CA -2.367 53.834 56.100 0.168 0.000 1.623 186 R CB 1.171 31.552 30.300 0.135 0.000 1.347 186 R HN -0.088 8.241 8.270 0.098 0.000 0.705 187 P HA -0.082 4.444 4.420 -0.091 -0.160 0.265 187 P C 0.034 177.298 177.300 -0.060 0.000 1.193 187 P CA 0.167 63.216 63.100 -0.085 0.000 0.765 187 P CB 0.856 32.478 31.700 -0.130 0.000 0.823 188 D N 3.382 123.765 120.400 -0.029 0.000 2.355 188 D HA -0.138 4.508 4.640 0.010 0.000 0.218 188 D C 1.341 177.644 176.300 0.005 0.000 1.004 188 D CA -0.190 53.817 54.000 0.011 0.000 0.880 188 D CB 0.036 40.871 40.800 0.059 0.000 0.911 188 D HN 0.160 8.837 8.370 -0.038 -0.330 0.528 189 G N -1.504 107.287 108.800 -0.016 0.000 2.232 189 G HA2 -0.388 nan 3.960 nan 0.000 0.226 189 G HA3 -0.388 nan 3.960 nan 0.000 0.226 189 G C 0.928 175.836 174.900 0.014 0.000 0.996 189 G CA -0.007 45.086 45.100 -0.012 0.000 0.626 189 G HN -0.050 8.172 8.290 -0.032 0.048 0.509 190 S N 0.068 115.795 115.700 0.044 0.000 2.461 190 S HA -0.104 4.396 4.470 0.050 0.000 0.228 190 S C 0.484 175.125 174.600 0.069 0.000 1.005 190 S CA 1.650 59.892 58.200 0.069 0.000 0.942 190 S CB 0.527 63.797 63.200 0.116 0.000 0.776 190 S HN 0.045 8.703 8.310 0.057 -0.314 0.514 191 M N 0.479 120.106 119.600 0.045 0.000 2.386 191 M HA 0.343 5.017 4.480 0.033 -0.174 0.293 191 M C -0.356 175.938 176.300 -0.009 0.000 1.120 191 M CA -0.963 54.350 55.300 0.021 0.000 0.909 191 M CB 3.974 36.582 32.600 0.014 0.000 1.661 191 M HN -0.674 7.603 8.290 0.026 0.029 0.452 192 T N 0.336 114.894 114.554 0.007 0.000 2.813 192 T HA 0.175 4.546 4.350 0.035 0.000 0.297 192 T C 0.028 174.751 174.700 0.038 0.000 1.036 192 T CA -0.433 61.688 62.100 0.034 0.000 1.044 192 T CB 1.456 70.355 68.868 0.050 0.000 0.993 192 T HN 0.077 8.606 8.240 0.013 -0.281 0.535 193 F N 1.779 121.707 119.950 -0.036 0.000 2.095 193 F HA -0.485 4.017 4.527 -0.043 0.000 0.298 193 F C 1.197 176.946 175.800 -0.085 0.000 1.104 193 F CA 4.170 62.145 58.000 -0.041 0.000 1.232 193 F CB -0.014 38.992 39.000 0.010 0.000 0.987 193 F HN 0.263 8.712 8.300 0.249 0.000 0.475 194 A N -2.578 120.367 122.820 0.208 0.000 1.908 194 A HA -0.372 4.021 4.320 0.121 0.000 0.218 194 A C 1.836 179.392 177.584 -0.047 0.000 1.181 194 A CA 3.004 55.095 52.037 0.089 0.000 0.627 194 A CB -1.103 17.952 19.000 0.092 0.000 0.818 194 A HN 0.222 8.519 8.150 0.244 0.000 0.445 195 E N -0.781 119.396 120.200 -0.038 0.000 2.072 195 E HA -0.304 4.032 4.350 -0.024 0.000 0.191 195 E C 2.510 179.045 176.600 -0.108 0.000 0.985 195 E CA 2.929 59.302 56.400 -0.044 0.000 0.801 195 E CB -0.017 29.679 29.700 -0.006 0.000 0.750 195 E HN -0.520 7.834 8.360 -0.010 0.000 0.452 196 A N -0.118 122.582 122.820 -0.199 0.000 1.902 196 A HA -0.249 3.950 4.320 -0.201 0.000 0.217 196 A C 1.481 178.840 177.584 -0.374 0.000 1.181 196 A CA 3.059 54.923 52.037 -0.289 0.000 0.623 196 A CB -0.443 18.324 19.000 -0.389 0.000 0.818 196 A HN -0.228 7.801 8.150 -0.201 0.000 0.443 197 K N -0.181 119.898 120.400 -0.536 0.000 2.020 197 K HA -0.388 3.496 4.320 -0.726 0.000 0.212 197 K C 1.695 177.990 176.600 -0.508 0.000 1.050 197 K CA 3.356 59.254 56.287 -0.649 0.000 0.929 197 K CB -0.183 31.943 32.500 -0.623 0.000 0.714 197 K HN 0.022 7.919 8.250 -0.588 0.000 0.443 198 E N -0.972 119.083 120.200 -0.241 0.000 2.070 198 E HA -0.371 3.996 4.350 0.028 0.000 0.197 198 E C 2.164 178.769 176.600 0.008 0.000 1.004 198 E CA 3.072 59.445 56.400 -0.046 0.000 0.805 198 E CB -0.135 29.565 29.700 -0.000 0.000 0.744 198 E HN -0.328 7.905 8.360 -0.212 0.000 0.451 199 A N -1.321 121.485 122.820 -0.024 0.000 1.930 199 A HA -0.198 4.188 4.320 0.110 0.000 0.217 199 A C 2.197 179.829 177.584 0.080 0.000 1.175 199 A CA 2.903 54.975 52.037 0.058 0.000 0.627 199 A CB -0.628 18.408 19.000 0.059 0.000 0.815 199 A HN -0.367 7.741 8.150 -0.071 0.000 0.443 200 L N -0.607 120.588 121.223 -0.046 0.000 2.056 200 L HA -0.324 4.031 4.340 0.025 0.000 0.207 200 L C 1.749 178.752 176.870 0.222 0.000 1.078 200 L CA 3.062 57.903 54.840 0.001 0.000 0.749 200 L CB -0.184 41.788 42.059 -0.145 0.000 0.901 200 L HN -0.383 7.756 8.230 -0.152 0.000 0.433 201 Y N -2.409 117.949 120.300 0.098 0.000 2.242 201 Y HA -0.354 4.262 4.550 0.109 0.000 0.291 201 Y C 2.233 178.196 175.900 0.105 0.000 1.137 201 Y CA 0.798 58.956 58.100 0.098 0.000 1.181 201 Y CB -1.202 37.295 38.460 0.062 0.000 0.989 201 Y HN -0.004 8.285 8.280 0.015 0.000 0.527 202 D N -1.358 119.202 120.400 0.266 0.000 2.123 202 D HA -0.292 4.439 4.640 0.152 0.000 0.196 202 D C 1.619 178.041 176.300 0.202 0.000 0.992 202 D CA 2.959 57.074 54.000 0.191 0.000 0.833 202 D CB -0.074 40.825 40.800 0.164 0.000 0.954 202 D HN -0.183 8.332 8.370 0.242 0.000 0.455 203 Y N -1.090 119.293 120.300 0.137 0.000 2.145 203 Y HA -0.303 4.314 4.550 0.111 0.000 0.286 203 Y C 1.221 177.184 175.900 0.104 0.000 1.145 203 Y CA 3.476 61.653 58.100 0.127 0.000 1.148 203 Y CB 0.698 39.255 38.460 0.160 0.000 0.981 203 Y HN -0.760 7.759 8.280 0.398 0.000 0.507 204 L N -2.887 118.494 121.223 0.264 0.000 2.313 204 L HA -0.337 4.057 4.340 0.090 0.000 0.214 204 L C 1.673 178.564 176.870 0.036 0.000 1.119 204 L CA 2.138 57.071 54.840 0.154 0.000 0.809 204 L CB -0.045 42.166 42.059 0.252 0.000 0.933 204 L HN -0.553 7.815 8.230 0.365 0.081 0.449 205 I N -2.475 118.119 120.570 0.041 0.000 2.142 205 I HA -0.154 4.011 4.170 -0.008 0.000 0.240 205 I C -0.846 175.253 176.117 -0.031 0.000 1.078 205 I CA 5.746 67.046 61.300 0.001 0.000 1.343 205 I CB -2.981 35.027 38.000 0.013 0.000 1.046 205 I HN 0.139 8.398 8.210 0.082 0.000 0.405 206 P HA -0.142 4.250 4.420 -0.046 0.000 0.222 206 P C 1.085 178.338 177.300 -0.077 0.000 1.147 206 P CA 2.806 65.868 63.100 -0.065 0.000 0.790 206 P CB -0.536 31.115 31.700 -0.082 0.000 0.780 207 I N -2.614 117.894 120.570 -0.102 0.000 2.400 207 I HA -0.091 4.262 4.170 -0.096 -0.240 0.248 207 I C 2.263 178.350 176.117 -0.050 0.000 1.109 207 I CA 3.029 64.270 61.300 -0.098 0.000 1.425 207 I CB 0.372 38.284 38.000 -0.148 0.000 1.094 207 I HN -0.959 7.156 8.210 -0.122 0.021 0.425 208 I N -0.211 120.339 120.570 -0.033 0.000 2.226 208 I HA -0.585 3.576 4.170 -0.014 0.000 0.245 208 I C 1.712 177.815 176.117 -0.023 0.000 1.100 208 I CA 4.663 65.952 61.300 -0.019 0.000 1.374 208 I CB -0.175 37.818 38.000 -0.013 0.000 1.057 208 I HN 0.129 8.320 8.210 -0.032 0.000 0.413 209 E N -0.352 119.831 120.200 -0.027 0.000 2.072 209 E HA -0.384 3.954 4.350 -0.020 0.000 0.191 209 E C 2.319 178.905 176.600 -0.025 0.000 0.985 209 E CA 2.681 59.066 56.400 -0.024 0.000 0.801 209 E CB -0.658 29.028 29.700 -0.023 0.000 0.750 209 E HN -0.443 7.824 8.360 -0.030 0.074 0.452 210 Q N -0.831 118.951 119.800 -0.031 0.000 2.062 210 Q HA -0.417 3.906 4.340 -0.028 0.000 0.209 210 Q C 2.858 178.842 176.000 -0.025 0.000 0.996 210 Q CA 3.545 59.330 55.803 -0.030 0.000 0.859 210 Q CB -0.086 28.629 28.738 -0.039 0.000 0.920 210 Q HN 0.145 8.393 8.270 -0.037 0.000 0.415 211 R N -3.751 116.734 120.500 -0.025 0.000 2.276 211 R HA -0.098 4.580 4.340 -0.022 -0.351 0.203 211 R C 2.599 178.889 176.300 -0.016 0.000 1.017 211 R CA 2.156 58.244 56.100 -0.021 0.000 1.010 211 R CB -0.195 30.093 30.300 -0.021 0.000 0.900 211 R HN -0.400 7.854 8.270 -0.027 0.000 0.469 212 R N -1.095 119.395 120.500 -0.015 0.000 2.119 212 R HA -0.142 4.378 4.340 -0.011 -0.186 0.222 212 R C 2.238 178.531 176.300 -0.013 0.000 1.088 212 R CA 2.376 58.469 56.100 -0.012 0.000 0.984 212 R CB -0.110 30.184 30.300 -0.011 0.000 0.884 212 R HN -0.359 7.901 8.270 -0.017 0.000 0.447 213 Q N -1.898 117.893 119.800 -0.015 0.000 2.083 213 Q HA -0.097 4.236 4.340 -0.012 0.000 0.198 213 Q C 0.420 176.411 176.000 -0.014 0.000 0.969 213 Q CA 2.026 57.820 55.803 -0.014 0.000 0.838 213 Q CB 0.849 29.578 28.738 -0.015 0.000 0.900 213 Q HN -0.631 7.542 8.270 -0.016 0.087 0.436 214 K N -1.372 119.018 120.400 -0.016 0.000 2.752 214 K HA 0.450 4.761 4.320 -0.015 0.000 0.199 214 K C -2.395 174.194 176.600 -0.017 0.000 1.069 214 K CA -2.754 53.523 56.287 -0.016 0.000 1.033 214 K CB 1.033 33.523 32.500 -0.017 0.000 1.229 214 K HN -0.240 7.999 8.250 -0.017 0.000 0.572 215 P HA -0.009 4.549 4.420 -0.017 -0.148 0.268 215 P C -0.424 176.865 177.300 -0.019 0.000 1.204 215 P CA -0.417 62.672 63.100 -0.017 0.000 0.768 215 P CB 0.358 32.049 31.700 -0.015 0.000 0.842 216 G N 0.981 109.769 108.800 -0.021 0.000 2.736 216 G HA2 0.171 nan 3.960 nan 0.000 0.229 216 G HA3 0.171 nan 3.960 nan 0.000 0.229 216 G C -1.227 173.658 174.900 -0.026 0.000 1.380 216 G CA -0.795 44.291 45.100 -0.024 0.000 1.040 216 G HN -0.292 7.985 8.290 -0.022 0.000 0.568 217 T N -0.429 114.107 114.554 -0.030 0.000 3.054 217 T HA 0.229 4.561 4.350 -0.030 0.000 0.255 217 T C -0.157 174.518 174.700 -0.043 0.000 1.035 217 T CA -0.995 61.085 62.100 -0.033 0.000 0.941 217 T CB -0.303 68.547 68.868 -0.030 0.000 1.026 217 T HN -0.098 8.123 8.240 -0.031 0.000 0.533 218 D N 0.535 120.905 120.400 -0.050 0.000 2.371 218 D HA -0.108 4.562 4.640 -0.083 -0.080 0.242 218 D C 0.560 176.819 176.300 -0.069 0.000 1.218 218 D CA -0.175 53.783 54.000 -0.071 0.000 0.945 218 D CB 0.930 41.687 40.800 -0.073 0.000 1.137 218 D HN -0.792 7.551 8.370 -0.045 0.000 0.464 219 A N -0.985 121.775 122.820 -0.099 0.000 1.933 219 A HA -0.276 4.010 4.320 -0.057 0.000 0.218 219 A C 2.081 179.643 177.584 -0.038 0.000 1.175 219 A CA 3.058 55.048 52.037 -0.077 0.000 0.628 219 A CB -0.041 18.885 19.000 -0.123 0.000 0.814 219 A HN 0.254 8.322 8.150 -0.137 0.000 0.444 220 I N -2.338 118.208 120.570 -0.038 0.000 2.252 220 I HA -0.458 3.720 4.170 0.012 0.000 0.245 220 I C 1.955 178.068 176.117 -0.007 0.000 1.102 220 I CA 3.911 65.208 61.300 -0.005 0.000 1.385 220 I CB -0.294 37.711 38.000 0.007 0.000 1.064 220 I HN -0.473 7.812 8.210 -0.059 -0.111 0.414 221 S N 1.201 116.890 115.700 -0.019 0.000 2.370 221 S HA -0.278 4.184 4.470 -0.013 0.000 0.226 221 S C 2.210 176.803 174.600 -0.011 0.000 1.033 221 S CA 3.860 62.050 58.200 -0.016 0.000 1.011 221 S CB -0.499 62.688 63.200 -0.022 0.000 0.852 221 S HN -0.386 8.231 8.310 -0.027 -0.323 0.457 222 I N 0.932 121.494 120.570 -0.014 0.000 2.179 222 I HA -0.366 3.798 4.170 -0.010 0.000 0.242 222 I C 2.018 178.137 176.117 0.004 0.000 1.088 222 I CA 2.924 64.219 61.300 -0.009 0.000 1.357 222 I CB -0.277 37.715 38.000 -0.014 0.000 1.051 222 I HN -0.424 7.774 8.210 -0.020 0.000 0.409 223 V N -0.696 119.225 119.914 0.012 0.000 2.295 223 V HA -0.402 3.740 4.120 0.037 0.000 0.246 223 V C 2.309 178.420 176.094 0.029 0.000 1.049 223 V CA 3.950 66.269 62.300 0.030 0.000 1.024 223 V CB -0.612 31.235 31.823 0.040 0.000 0.648 223 V HN -0.413 7.781 8.190 0.008 0.000 0.447 224 A N -1.347 121.483 122.820 0.017 0.000 2.067 224 A HA -0.231 4.100 4.320 0.017 0.000 0.219 224 A C 0.340 177.930 177.584 0.009 0.000 1.158 224 A CA 2.731 54.775 52.037 0.012 0.000 0.661 224 A CB -0.076 18.926 19.000 0.003 0.000 0.801 224 A HN 0.118 8.275 8.150 0.012 0.000 0.452 225 N N -4.490 114.213 118.700 0.005 0.000 2.214 225 N HA 0.119 4.859 4.740 0.001 0.000 0.214 225 N C 0.213 175.725 175.510 0.002 0.000 1.132 225 N CA -0.205 52.846 53.050 0.001 0.000 0.856 225 N CB 1.469 39.953 38.487 -0.005 0.000 1.020 225 N HN -0.563 7.794 8.380 0.004 0.026 0.509 226 G N -0.384 108.422 108.800 0.010 0.000 2.599 226 G HA2 0.029 nan 3.960 nan 0.000 0.264 226 G HA3 0.029 nan 3.960 nan 0.000 0.264 226 G C -2.005 172.895 174.900 0.001 0.000 1.200 226 G CA -0.761 44.344 45.100 0.007 0.000 0.896 226 G HN -0.581 7.555 8.290 0.017 0.164 0.536 227 Q N -1.995 117.796 119.800 -0.014 0.000 2.306 227 Q HA 0.610 5.096 4.340 -0.030 -0.163 0.265 227 Q C -1.122 174.839 176.000 -0.065 0.000 1.022 227 Q CA -1.242 54.541 55.803 -0.034 0.000 0.853 227 Q CB 3.209 31.925 28.738 -0.037 0.000 1.327 227 Q HN 0.111 8.371 8.270 -0.016 0.000 0.449 228 V N 1.933 121.781 119.914 -0.111 0.000 2.443 228 V HA 0.386 4.377 4.120 -0.215 0.000 0.293 228 V C -1.073 174.901 176.094 -0.200 0.000 1.021 228 V CA -1.277 60.889 62.300 -0.223 0.000 0.848 228 V CB 1.304 32.880 31.823 -0.411 0.000 0.998 228 V HN 0.494 8.625 8.190 -0.097 0.000 0.424 229 N N 8.361 126.957 118.700 -0.172 0.000 2.716 229 N HA -0.284 4.392 4.740 -0.107 0.000 0.250 229 N C -0.192 175.264 175.510 -0.090 0.000 1.033 229 N CA 0.874 53.848 53.050 -0.126 0.000 0.727 229 N CB -1.181 37.221 38.487 -0.141 0.000 0.950 229 N HN 0.725 9.003 8.380 -0.170 0.000 0.541 230 G N -9.447 99.308 108.800 -0.075 0.000 2.179 230 G HA2 -0.322 nan 3.960 nan 0.000 0.260 230 G HA3 -0.322 nan 3.960 nan 0.000 0.260 230 G C -1.353 173.519 174.900 -0.047 0.000 0.977 230 G CA 0.138 45.206 45.100 -0.053 0.000 0.641 230 G HN 0.195 8.425 8.290 -0.078 0.013 0.533 231 R N -1.869 118.598 120.500 -0.056 0.000 2.854 231 R HA 0.594 4.915 4.340 -0.031 0.000 0.271 231 R C -3.053 173.227 176.300 -0.033 0.000 0.996 231 R CA -3.832 52.244 56.100 -0.040 0.000 0.961 231 R CB 0.032 30.309 30.300 -0.037 0.000 1.182 231 R HN -0.404 7.727 8.270 -0.073 0.095 0.479 232 P HA -0.018 4.398 4.420 -0.007 0.000 0.271 232 P C -0.865 176.442 177.300 0.011 0.000 1.216 232 P CA -0.211 62.886 63.100 -0.005 0.000 0.771 232 P CB 0.495 32.194 31.700 -0.001 0.000 0.864 233 I N 3.907 124.492 120.570 0.026 0.000 2.754 233 I HA -0.261 4.086 4.170 0.095 -0.120 0.285 233 I C 0.316 176.465 176.117 0.055 0.000 1.166 233 I CA 0.159 61.501 61.300 0.069 0.000 1.417 233 I CB 1.461 39.518 38.000 0.094 0.000 1.382 233 I HN -0.081 8.141 8.210 0.019 0.000 0.588 234 T N 3.968 118.563 114.554 0.068 0.000 2.849 234 T HA 0.232 4.597 4.350 0.025 0.000 0.284 234 T C 1.044 175.755 174.700 0.018 0.000 1.004 234 T CA -1.130 60.991 62.100 0.036 0.000 1.021 234 T CB 2.106 70.994 68.868 0.033 0.000 1.013 234 T HN -0.015 8.601 8.240 0.100 -0.316 0.527 235 S N 1.186 116.885 115.700 -0.002 0.000 2.383 235 S HA -0.360 4.102 4.470 -0.014 0.000 0.229 235 S C 1.858 176.431 174.600 -0.046 0.000 1.030 235 S CA 4.194 62.382 58.200 -0.019 0.000 1.002 235 S CB -0.752 62.434 63.200 -0.024 0.000 0.829 235 S HN 0.575 8.884 8.310 -0.002 0.000 0.467 236 D N 0.433 120.802 120.400 -0.052 0.000 2.162 236 D HA -0.305 4.250 4.640 -0.142 0.000 0.203 236 D C 1.808 178.048 176.300 -0.100 0.000 0.967 236 D CA 3.160 57.100 54.000 -0.099 0.000 0.840 236 D CB -0.013 40.736 40.800 -0.085 0.000 0.972 236 D HN 0.325 8.663 8.370 -0.035 0.011 0.482 237 E N 0.493 120.667 120.200 -0.043 0.000 2.077 237 E HA -0.473 3.814 4.350 -0.105 0.000 0.193 237 E C 2.272 178.853 176.600 -0.031 0.000 0.989 237 E CA 3.116 59.489 56.400 -0.044 0.000 0.800 237 E CB -0.087 29.658 29.700 0.076 0.000 0.746 237 E HN -0.420 7.932 8.360 -0.013 0.000 0.452 238 A N -0.961 121.859 122.820 -0.000 0.000 1.908 238 A HA -0.306 4.035 4.320 0.035 0.000 0.218 238 A C 1.463 179.037 177.584 -0.017 0.000 1.181 238 A CA 3.329 55.372 52.037 0.009 0.000 0.627 238 A CB -0.495 18.513 19.000 0.013 0.000 0.818 238 A HN -0.131 8.023 8.150 0.006 0.000 0.445 239 K N -2.258 118.098 120.400 -0.073 0.000 2.097 239 K HA -0.333 3.967 4.320 -0.035 0.000 0.205 239 K C 2.149 178.701 176.600 -0.080 0.000 1.050 239 K CA 3.194 59.411 56.287 -0.117 0.000 0.938 239 K CB -0.389 31.944 32.500 -0.278 0.000 0.718 239 K HN -0.267 7.927 8.250 -0.093 0.000 0.442 240 R N -1.542 118.901 120.500 -0.096 0.000 2.148 240 R HA -0.154 4.375 4.340 0.315 0.000 0.223 240 R C 3.062 179.426 176.300 0.107 0.000 1.088 240 R CA 2.830 58.989 56.100 0.098 0.000 0.985 240 R CB -0.208 30.097 30.300 0.008 0.000 0.880 240 R HN -0.423 7.765 8.270 -0.136 0.000 0.451 241 M N 2.342 121.946 119.600 0.007 0.000 2.193 241 M HA -0.029 4.654 4.480 -0.019 -0.214 0.265 241 M C 1.278 177.562 176.300 -0.026 0.000 1.071 241 M CA 3.605 58.900 55.300 -0.008 0.000 1.140 241 M CB 0.478 33.090 32.600 0.021 0.000 1.369 241 M HN -0.354 7.929 8.290 -0.012 0.000 0.423 242 C N -1.403 117.906 119.300 0.014 0.000 2.425 242 C HA -0.310 4.183 4.460 0.054 0.000 0.277 242 C C 2.273 177.251 174.990 -0.020 0.000 1.280 242 C CA 4.113 63.154 59.018 0.039 0.000 1.744 242 C CB -1.593 26.195 27.740 0.080 0.000 1.989 242 C HN 0.222 8.468 8.230 0.026 0.000 0.491 243 G N -0.158 108.621 108.800 -0.036 0.000 2.446 243 G HA2 -0.359 nan 3.960 nan 0.000 0.217 243 G HA3 -0.359 nan 3.960 nan 0.000 0.217 243 G C 0.646 175.030 174.900 -0.860 0.000 1.168 243 G CA 2.587 47.538 45.100 -0.249 0.000 0.771 243 G HN 0.049 8.383 8.290 0.074 0.000 0.551 244 L N 1.810 122.420 121.223 -1.022 0.000 2.046 244 L HA -0.263 3.310 4.340 -1.278 0.000 0.208 244 L C 1.474 178.101 176.870 -0.407 0.000 1.077 244 L CA 2.250 56.563 54.840 -0.878 0.000 0.747 244 L CB -0.075 41.730 42.059 -0.424 0.000 0.896 244 L HN -0.799 6.985 8.230 -0.743 0.000 0.432 245 L N -2.100 118.986 121.223 -0.228 0.000 2.083 245 L HA -0.455 3.829 4.340 -0.094 0.000 0.209 245 L C 2.245 178.888 176.870 -0.378 0.000 1.083 245 L CA 3.335 58.115 54.840 -0.100 0.000 0.752 245 L CB -0.600 41.553 42.059 0.157 0.000 0.899 245 L HN -0.566 7.550 8.230 -0.189 0.000 0.433 246 L N -1.032 119.992 121.223 -0.330 0.000 2.093 246 L HA -0.385 3.387 4.340 -0.947 0.000 0.208 246 L C 1.753 178.310 176.870 -0.522 0.000 1.085 246 L CA 3.450 57.981 54.840 -0.515 0.000 0.755 246 L CB -0.017 41.941 42.059 -0.168 0.000 0.904 246 L HN -0.456 7.652 8.230 -0.203 0.000 0.435 247 V N -1.436 118.247 119.914 -0.385 0.000 2.358 247 V HA -0.505 3.486 4.120 -0.215 0.000 0.246 247 V C 2.307 178.268 176.094 -0.222 0.000 1.047 247 V CA 4.607 66.759 62.300 -0.246 0.000 1.035 247 V CB -0.828 30.915 31.823 -0.134 0.000 0.658 247 V HN -0.411 7.533 8.190 -0.410 0.000 0.452 248 G N -1.736 106.918 108.800 -0.243 0.000 2.418 248 G HA2 -0.331 nan 3.960 nan 0.000 0.217 248 G HA3 -0.331 nan 3.960 nan 0.000 0.217 248 G C 1.196 175.937 174.900 -0.265 0.000 1.158 248 G CA 2.217 47.214 45.100 -0.173 0.000 0.771 248 G HN -0.028 8.103 8.290 -0.265 0.000 0.545 249 G N 0.176 108.620 108.800 -0.595 0.000 2.422 249 G HA2 -0.138 nan 3.960 nan 0.000 0.218 249 G HA3 -0.138 nan 3.960 nan 0.000 0.218 249 G C 0.911 175.584 174.900 -0.378 0.000 1.140 249 G CA 1.288 45.979 45.100 -0.682 0.000 0.775 249 G HN -0.208 7.590 8.290 -0.820 0.000 0.545 250 L N -4.046 116.964 121.223 -0.355 0.000 2.590 250 L HA 0.089 4.333 4.340 -0.159 0.000 0.227 250 L C -0.634 176.166 176.870 -0.117 0.000 1.099 250 L CA 0.733 55.453 54.840 -0.200 0.000 0.872 250 L CB 0.633 42.571 42.059 -0.201 0.000 1.088 250 L HN -0.545 7.443 8.230 -0.403 0.000 0.479 251 D N -4.087 116.255 120.400 -0.097 0.000 2.785 251 D HA 0.122 4.745 4.640 -0.028 0.000 0.324 251 D C -0.461 175.844 176.300 0.009 0.000 1.523 251 D CA -0.059 53.921 54.000 -0.034 0.000 0.789 251 D CB 1.113 41.901 40.800 -0.020 0.000 1.171 251 D HN -0.442 7.856 8.370 -0.120 0.000 0.447 252 T N -5.414 109.149 114.554 0.016 0.000 3.463 252 T HA -0.014 4.380 4.350 0.073 0.000 0.203 252 T C 0.871 175.644 174.700 0.123 0.000 0.955 252 T CA 0.888 63.026 62.100 0.064 0.000 1.230 252 T CB 0.736 69.639 68.868 0.058 0.000 1.392 252 T HN -0.539 7.697 8.240 -0.006 0.000 0.361 253 V N 2.740 122.729 119.914 0.125 0.000 2.380 253 V HA -0.329 3.964 4.120 0.289 0.000 0.251 253 V C 1.720 177.931 176.094 0.196 0.000 1.063 253 V CA 4.271 66.693 62.300 0.203 0.000 1.055 253 V CB -0.885 31.033 31.823 0.158 0.000 0.657 253 V HN 0.509 8.752 8.190 0.089 0.000 0.455 254 V N -1.553 118.418 119.914 0.095 0.000 2.278 254 V HA -0.397 3.956 4.120 0.056 -0.199 0.251 254 V C 2.354 178.474 176.094 0.044 0.000 1.062 254 V CA 3.657 65.987 62.300 0.051 0.000 1.038 254 V CB -0.651 31.168 31.823 -0.006 0.000 0.646 254 V HN 0.137 8.353 8.190 0.058 0.009 0.447 255 N N -1.459 117.269 118.700 0.048 0.000 2.207 255 N HA -0.230 4.423 4.740 -0.145 0.000 0.182 255 N C 1.809 177.307 175.510 -0.020 0.000 1.020 255 N CA 2.607 55.632 53.050 -0.041 0.000 0.858 255 N CB -0.024 38.473 38.487 0.016 0.000 0.991 255 N HN -0.587 7.838 8.380 0.074 0.000 0.427 256 F N 2.999 123.000 119.950 0.084 0.000 2.134 256 F HA -0.296 4.460 4.527 0.382 0.000 0.299 256 F C 1.452 177.332 175.800 0.132 0.000 1.097 256 F CA 3.244 61.358 58.000 0.190 0.000 1.264 256 F CB 0.200 39.280 39.000 0.134 0.000 1.001 256 F HN -0.531 7.980 8.300 0.351 0.000 0.479 257 L N -3.513 117.753 121.223 0.071 0.000 2.079 257 L HA -0.555 3.765 4.340 -0.034 0.000 0.210 257 L C 2.133 178.978 176.870 -0.042 0.000 1.081 257 L CA 3.341 58.221 54.840 0.067 0.000 0.752 257 L CB -0.811 41.462 42.059 0.357 0.000 0.896 257 L HN 0.116 8.482 8.230 0.226 0.000 0.433 258 S N 0.408 116.078 115.700 -0.051 0.000 2.383 258 S HA -0.208 4.243 4.470 -0.032 0.000 0.227 258 S C 2.292 176.638 174.600 -0.423 0.000 1.026 258 S CA 3.375 61.479 58.200 -0.160 0.000 0.981 258 S CB -0.771 62.336 63.200 -0.155 0.000 0.818 258 S HN -0.658 7.616 8.310 -0.060 0.000 0.472 259 F N 1.542 121.239 119.950 -0.422 0.000 2.134 259 F HA -0.203 3.993 4.527 -0.551 0.000 0.299 259 F C 2.389 177.647 175.800 -0.904 0.000 1.097 259 F CA 2.959 60.565 58.000 -0.656 0.000 1.264 259 F CB -0.810 37.805 39.000 -0.641 0.000 1.001 259 F HN -0.590 7.350 8.300 -0.600 0.000 0.479 260 S N 0.397 115.704 115.700 -0.654 0.000 2.368 260 S HA -0.258 3.884 4.470 -0.548 0.000 0.224 260 S C 2.225 176.614 174.600 -0.352 0.000 1.029 260 S CA 3.781 61.662 58.200 -0.531 0.000 0.988 260 S CB -0.274 62.633 63.200 -0.488 0.000 0.838 260 S HN -0.390 7.514 8.310 -0.677 0.000 0.462 261 M N 0.539 119.845 119.600 -0.490 0.000 2.254 261 M HA -0.175 4.010 4.480 -0.491 0.000 0.265 261 M C 1.752 177.812 176.300 -0.400 0.000 1.066 261 M CA 1.393 56.317 55.300 -0.628 0.000 1.123 261 M CB -1.095 30.637 32.600 -1.446 0.000 1.388 261 M HN -0.064 7.908 8.290 -0.530 0.000 0.425 262 E N 1.087 121.078 120.200 -0.348 0.000 2.051 262 E HA -0.369 3.888 4.350 -0.156 0.000 0.192 262 E C 2.213 178.727 176.600 -0.142 0.000 0.991 262 E CA 3.251 59.538 56.400 -0.188 0.000 0.799 262 E CB -0.066 29.570 29.700 -0.107 0.000 0.748 262 E HN -0.333 7.792 8.360 -0.393 0.000 0.449 263 F N 0.582 120.333 119.950 -0.331 0.000 2.095 263 F HA -0.390 4.046 4.527 -0.153 0.000 0.298 263 F C 1.613 177.318 175.800 -0.158 0.000 1.104 263 F CA 3.410 61.267 58.000 -0.238 0.000 1.232 263 F CB 0.113 38.928 39.000 -0.309 0.000 0.987 263 F HN -0.648 7.530 8.300 -0.203 0.000 0.475 264 L N -3.550 117.533 121.223 -0.234 0.000 2.141 264 L HA -0.376 3.708 4.340 -0.426 0.000 0.209 264 L C 2.828 179.417 176.870 -0.467 0.000 1.094 264 L CA 2.511 57.177 54.840 -0.291 0.000 0.763 264 L CB -0.511 41.553 42.059 0.008 0.000 0.908 264 L HN -0.377 7.815 8.230 -0.065 0.000 0.437 265 A N -2.009 120.607 122.820 -0.340 0.000 1.972 265 A HA -0.203 3.588 4.320 -0.882 0.000 0.219 265 A C 1.126 178.500 177.584 -0.350 0.000 1.169 265 A CA 2.675 54.464 52.037 -0.414 0.000 0.635 265 A CB -0.489 18.497 19.000 -0.024 0.000 0.810 265 A HN -0.035 8.012 8.150 -0.172 0.000 0.446 266 K N -3.458 116.751 120.400 -0.318 0.000 2.393 266 K HA -0.011 4.196 4.320 -0.189 0.000 0.193 266 K C -0.594 175.816 176.600 -0.316 0.000 1.026 266 K CA 0.793 56.927 56.287 -0.255 0.000 1.064 266 K CB 0.352 32.749 32.500 -0.173 0.000 0.833 266 K HN -0.511 7.410 8.250 -0.341 0.125 0.521 267 S N 0.996 116.423 115.700 -0.455 0.000 2.158 267 S HA 0.500 4.817 4.470 -0.255 0.000 0.160 267 S C -1.875 172.576 174.600 -0.248 0.000 1.693 267 S CA -2.394 55.569 58.200 -0.394 0.000 1.251 267 S CB -0.507 62.200 63.200 -0.822 0.000 1.153 267 S HN -0.663 7.176 8.310 -0.510 0.165 0.439 268 P HA -0.273 4.031 4.420 -0.194 0.000 0.216 268 P C 0.844 178.095 177.300 -0.081 0.000 1.150 268 P CA 2.364 65.374 63.100 -0.150 0.000 0.843 268 P CB 0.324 31.953 31.700 -0.118 0.000 0.787 269 E N -2.808 117.351 120.200 -0.068 0.000 2.152 269 E HA -0.338 3.975 4.350 -0.062 0.000 0.192 269 E C 2.059 178.600 176.600 -0.097 0.000 0.983 269 E CA 2.830 59.179 56.400 -0.085 0.000 0.818 269 E CB -1.238 28.389 29.700 -0.121 0.000 0.758 269 E HN 0.584 8.874 8.360 -0.067 0.029 0.467 270 H N 0.994 120.029 119.070 -0.058 0.000 2.395 270 H HA -0.068 4.523 4.556 0.058 0.000 0.299 270 H C 2.448 177.887 175.328 0.186 0.000 1.070 270 H CA 4.051 60.132 56.048 0.056 0.000 1.356 270 H CB 0.013 29.796 29.762 0.035 0.000 1.401 270 H HN -0.691 7.640 8.280 0.086 0.000 0.524 271 R N -0.922 119.673 120.500 0.160 0.000 2.073 271 R HA -0.433 4.015 4.340 0.179 0.000 0.234 271 R C 2.291 178.657 176.300 0.110 0.000 1.134 271 R CA 3.594 59.766 56.100 0.119 0.000 0.952 271 R CB -0.306 29.989 30.300 -0.008 0.000 0.850 271 R HN -0.539 7.772 8.270 0.068 0.000 0.433 272 Q N -1.344 118.491 119.800 0.058 0.000 2.124 272 Q HA -0.276 4.091 4.340 0.045 0.000 0.202 272 Q C 1.958 178.000 176.000 0.070 0.000 0.977 272 Q CA 2.693 58.523 55.803 0.045 0.000 0.850 272 Q CB -0.666 28.078 28.738 0.010 0.000 0.901 272 Q HN -0.214 8.075 8.270 0.030 0.000 0.429 273 E N 0.438 120.696 120.200 0.097 0.000 2.058 273 E HA -0.316 4.087 4.350 0.088 0.000 0.194 273 E C 2.286 178.978 176.600 0.153 0.000 0.997 273 E CA 3.158 59.637 56.400 0.131 0.000 0.801 273 E CB -0.230 29.581 29.700 0.186 0.000 0.746 273 E HN -0.565 7.850 8.360 0.091 0.000 0.450 274 L N -2.989 118.345 121.223 0.184 0.000 2.240 274 L HA -0.165 4.231 4.340 0.094 0.000 0.211 274 L C 2.509 179.428 176.870 0.082 0.000 1.106 274 L CA 2.347 57.258 54.840 0.118 0.000 0.793 274 L CB -0.013 42.110 42.059 0.107 0.000 0.927 274 L HN -0.798 7.568 8.230 0.228 0.000 0.446 275 I N -1.497 119.123 120.570 0.083 0.000 2.202 275 I HA -0.468 3.735 4.170 0.055 0.000 0.242 275 I C 1.864 178.009 176.117 0.046 0.000 1.091 275 I CA 4.084 65.419 61.300 0.059 0.000 1.368 275 I CB 0.117 38.150 38.000 0.055 0.000 1.058 275 I HN -0.313 7.954 8.210 0.096 0.000 0.410 276 E N -1.273 118.957 120.200 0.049 0.000 2.107 276 E HA -0.178 4.191 4.350 0.032 0.000 0.191 276 E C 0.602 177.227 176.600 0.041 0.000 0.982 276 E CA 2.052 58.475 56.400 0.039 0.000 0.809 276 E CB 0.818 30.540 29.700 0.037 0.000 0.756 276 E HN -0.323 8.071 8.360 0.057 0.000 0.459 277 R N -2.710 117.821 120.500 0.052 0.000 2.651 277 R HA 0.567 5.018 4.340 0.041 -0.086 0.282 277 R C -2.078 174.249 176.300 0.044 0.000 1.565 277 R CA -3.975 52.154 56.100 0.049 0.000 1.661 277 R CB -1.556 28.779 30.300 0.059 0.000 1.189 277 R HN -0.325 7.983 8.270 0.063 0.000 0.621 278 P HA -0.080 4.490 4.420 0.028 -0.133 0.222 278 P C 0.878 178.190 177.300 0.021 0.000 1.147 278 P CA 1.910 65.026 63.100 0.028 0.000 0.790 278 P CB 0.132 31.848 31.700 0.027 0.000 0.780 279 E N -1.183 119.031 120.200 0.024 0.000 2.267 279 E HA -0.263 4.099 4.350 0.021 0.000 0.197 279 E C 1.010 177.620 176.600 0.017 0.000 0.998 279 E CA 2.358 58.772 56.400 0.022 0.000 0.830 279 E CB -1.744 27.971 29.700 0.026 0.000 0.751 279 E HN 0.549 8.884 8.360 0.027 0.041 0.491 280 R N -2.620 117.889 120.500 0.015 0.000 2.299 280 R HA -0.031 4.316 4.340 0.012 0.000 0.197 280 R C 1.527 177.782 176.300 -0.074 0.000 0.971 280 R CA 0.960 57.059 56.100 -0.001 0.000 1.030 280 R CB 0.077 30.401 30.300 0.040 0.000 0.932 280 R HN -0.536 7.702 8.270 0.022 0.045 0.477 281 I N 1.315 121.849 120.570 -0.061 0.000 2.226 281 I HA -0.323 3.741 4.170 -0.176 0.000 0.245 281 I C -1.289 174.784 176.117 -0.074 0.000 1.100 281 I CA 6.190 67.434 61.300 -0.093 0.000 1.374 281 I CB -2.417 35.566 38.000 -0.030 0.000 1.057 281 I HN -0.330 7.812 8.210 -0.027 0.052 0.413 282 P HA -0.317 4.114 4.420 0.018 0.000 0.215 282 P C 0.853 178.149 177.300 -0.006 0.000 1.153 282 P CA 3.423 66.526 63.100 0.004 0.000 0.853 282 P CB -0.804 30.910 31.700 0.024 0.000 0.788 283 A N -3.779 119.030 122.820 -0.018 0.000 1.933 283 A HA -0.231 4.107 4.320 0.030 0.000 0.218 283 A C 1.845 179.399 177.584 -0.050 0.000 1.175 283 A CA 2.603 54.641 52.037 0.000 0.000 0.628 283 A CB -0.869 18.150 19.000 0.032 0.000 0.814 283 A HN -0.061 8.078 8.150 -0.019 0.000 0.444 284 A N -1.918 120.752 122.820 -0.251 0.000 1.902 284 A HA -0.354 3.603 4.320 -0.606 0.000 0.217 284 A C 1.349 178.815 177.584 -0.196 0.000 1.181 284 A CA 3.150 54.821 52.037 -0.610 0.000 0.623 284 A CB -0.850 17.369 19.000 -1.303 0.000 0.818 284 A HN -0.068 7.921 8.150 -0.267 0.000 0.443 285 C N -0.547 118.703 119.300 -0.083 0.000 2.398 285 C HA -0.472 4.060 4.460 0.120 0.000 0.276 285 C C 1.802 176.831 174.990 0.065 0.000 1.222 285 C CA 4.113 63.166 59.018 0.057 0.000 1.746 285 C CB -2.291 25.493 27.740 0.073 0.000 2.039 285 C HN 0.083 8.251 8.230 -0.103 0.000 0.470 286 E N -0.272 119.953 120.200 0.043 0.000 2.077 286 E HA -0.359 4.001 4.350 0.017 0.000 0.193 286 E C 2.017 178.627 176.600 0.017 0.000 0.989 286 E CA 3.137 59.564 56.400 0.045 0.000 0.800 286 E CB -0.356 29.404 29.700 0.100 0.000 0.746 286 E HN -0.473 7.908 8.360 0.035 0.000 0.452 287 E N 0.092 120.332 120.200 0.067 0.000 2.106 287 E HA -0.209 4.159 4.350 0.030 0.000 0.192 287 E C 2.432 179.044 176.600 0.020 0.000 0.984 287 E CA 2.439 58.880 56.400 0.069 0.000 0.806 287 E CB -0.436 29.385 29.700 0.201 0.000 0.750 287 E HN -0.590 7.818 8.360 0.081 0.000 0.458 288 L N -0.894 120.406 121.223 0.128 0.000 2.093 288 L HA -0.319 4.110 4.340 0.149 0.000 0.208 288 L C 2.259 179.331 176.870 0.336 0.000 1.085 288 L CA 3.123 58.114 54.840 0.251 0.000 0.755 288 L CB -0.247 42.038 42.059 0.376 0.000 0.904 288 L HN 0.012 8.335 8.230 0.155 0.000 0.435 289 L N -2.632 118.650 121.223 0.099 0.000 2.131 289 L HA -0.458 3.648 4.340 -0.389 0.000 0.210 289 L C 1.626 178.233 176.870 -0.439 0.000 1.092 289 L CA 2.948 57.579 54.840 -0.348 0.000 0.759 289 L CB -0.452 41.214 42.059 -0.654 0.000 0.903 289 L HN -0.079 8.182 8.230 0.053 0.000 0.435 290 R N -1.897 118.381 120.500 -0.369 0.000 2.057 290 R HA -0.287 3.832 4.340 -0.368 0.000 0.229 290 R C 3.075 179.191 176.300 -0.306 0.000 1.136 290 R CA 2.940 58.853 56.100 -0.312 0.000 0.952 290 R CB -0.006 30.206 30.300 -0.146 0.000 0.848 290 R HN -0.541 7.469 8.270 -0.273 0.096 0.430 291 R N -0.059 120.211 120.500 -0.384 0.000 2.090 291 R HA -0.178 3.829 4.340 -0.555 0.000 0.228 291 R C 0.980 176.726 176.300 -0.924 0.000 1.110 291 R CA 1.922 57.603 56.100 -0.698 0.000 0.973 291 R CB -0.023 29.682 30.300 -0.992 0.000 0.869 291 R HN -0.314 7.761 8.270 -0.324 0.000 0.440 292 F N -3.962 115.880 119.950 -0.181 0.000 2.850 292 F HA 0.088 4.353 4.527 -0.437 0.000 0.306 292 F C -1.243 174.438 175.800 -0.198 0.000 1.162 292 F CA -1.135 56.701 58.000 -0.274 0.000 1.327 292 F CB -0.489 38.356 39.000 -0.259 0.000 0.953 292 F HN -0.423 7.755 8.300 -0.203 0.000 0.507 293 S N -0.368 115.225 115.700 -0.178 0.000 2.558 293 S HA -0.106 4.221 4.470 -0.240 0.000 0.287 293 S C -0.383 174.042 174.600 -0.291 0.000 1.321 293 S CA 1.481 59.533 58.200 -0.248 0.000 1.048 293 S CB 0.613 63.635 63.200 -0.297 0.000 0.844 293 S HN -0.900 7.190 8.310 -0.251 0.069 0.512 294 L N -4.409 116.663 121.223 -0.251 0.000 3.689 294 L HA 0.496 4.636 4.340 -0.333 0.000 0.344 294 L C -1.473 175.255 176.870 -0.237 0.000 1.221 294 L CA -0.310 54.396 54.840 -0.223 0.000 1.171 294 L CB 1.555 43.640 42.059 0.043 0.000 1.540 294 L HN 0.099 8.181 8.230 -0.246 0.000 0.631 295 V N -0.006 119.754 119.914 -0.257 0.000 2.547 295 V HA 0.688 4.874 4.120 -0.197 -0.184 0.299 295 V C -1.798 174.117 176.094 -0.297 0.000 1.040 295 V CA -1.725 60.442 62.300 -0.222 0.000 0.913 295 V CB 2.518 34.260 31.823 -0.136 0.000 0.992 295 V HN -0.530 7.502 8.190 -0.264 0.000 0.449 296 A N 4.744 127.396 122.820 -0.281 0.000 2.679 296 A HA 0.851 5.215 4.320 -0.158 -0.139 0.288 296 A C -2.095 175.396 177.584 -0.155 0.000 1.160 296 A CA -1.094 50.810 52.037 -0.222 0.000 0.763 296 A CB 2.374 21.165 19.000 -0.349 0.000 1.270 296 A HN 0.650 8.645 8.150 -0.258 0.000 0.417 297 D N 3.322 123.677 120.400 -0.074 0.000 2.658 297 D HA 0.325 4.858 4.640 -0.179 0.000 0.243 297 D C -1.359 174.974 176.300 0.055 0.000 1.159 297 D CA -2.131 51.824 54.000 -0.074 0.000 1.084 297 D CB 2.410 43.177 40.800 -0.054 0.000 1.227 297 D HN -0.415 8.192 8.370 -0.013 -0.246 0.636 298 G N -4.019 104.824 108.800 0.073 0.000 2.510 298 G HA2 0.439 nan 3.960 nan 0.000 0.277 298 G HA3 0.439 nan 3.960 nan 0.000 0.277 298 G C -1.922 173.008 174.900 0.050 0.000 1.223 298 G CA 0.634 45.759 45.100 0.042 0.000 0.887 298 G HN -0.158 8.176 8.290 0.074 0.000 0.485 299 R N -3.312 117.211 120.500 0.037 0.000 2.795 299 R HA 0.712 5.201 4.340 0.077 -0.103 0.268 299 R C -2.498 173.883 176.300 0.136 0.000 1.041 299 R CA -2.136 54.020 56.100 0.093 0.000 0.927 299 R CB 5.073 35.455 30.300 0.135 0.000 1.235 299 R HN 0.237 8.525 8.270 0.030 0.000 0.463 300 I N -0.239 120.418 120.570 0.144 0.000 2.569 300 I HA 0.487 4.906 4.170 0.177 -0.143 0.296 300 I C -2.269 173.926 176.117 0.130 0.000 1.028 300 I CA -2.576 58.811 61.300 0.145 0.000 1.082 300 I CB 3.991 42.049 38.000 0.096 0.000 1.264 300 I HN 0.250 8.540 8.210 0.133 0.000 0.429 301 L N 7.417 128.719 121.223 0.131 0.000 2.462 301 L HA 0.300 4.792 4.340 -0.089 -0.206 0.272 301 L C 1.537 178.408 176.870 0.001 0.000 1.166 301 L CA 0.169 55.022 54.840 0.021 0.000 0.880 301 L CB -0.950 41.150 42.059 0.069 0.000 1.142 301 L HN 0.356 8.695 8.230 0.182 0.000 0.473 302 T N -0.602 113.914 114.554 -0.063 0.000 3.081 302 T HA -0.014 4.327 4.350 -0.014 0.000 0.255 302 T C -0.128 174.550 174.700 -0.036 0.000 1.113 302 T CA 0.517 62.590 62.100 -0.045 0.000 1.082 302 T CB 0.405 69.224 68.868 -0.082 0.000 0.939 302 T HN 0.350 8.511 8.240 -0.131 0.000 0.506 303 S N -0.309 115.375 115.700 -0.027 0.000 2.587 303 S HA 0.189 4.661 4.470 0.004 0.000 0.269 303 S C -2.186 172.432 174.600 0.030 0.000 1.154 303 S CA -1.265 56.937 58.200 0.004 0.000 0.824 303 S CB 2.341 65.546 63.200 0.008 0.000 1.118 303 S HN -0.682 7.564 8.310 -0.039 0.041 0.462 304 D N 1.518 121.939 120.400 0.035 0.000 2.443 304 D HA 0.069 4.887 4.640 0.040 -0.155 0.239 304 D C -1.066 175.303 176.300 0.115 0.000 1.136 304 D CA 0.960 54.988 54.000 0.047 0.000 0.879 304 D CB 0.285 41.097 40.800 0.020 0.000 1.195 304 D HN 0.280 8.665 8.370 0.025 0.000 0.443 305 Y N 3.303 123.541 120.300 -0.104 0.000 2.376 305 Y HA 0.159 4.605 4.550 -0.172 0.000 0.321 305 Y C -2.648 173.186 175.900 -0.112 0.000 1.189 305 Y CA -0.869 57.121 58.100 -0.184 0.000 1.069 305 Y CB 3.657 41.872 38.460 -0.408 0.000 1.292 305 Y HN 0.262 8.593 8.280 0.086 0.000 0.430 306 E N 7.881 127.843 120.200 -0.396 0.000 2.152 306 E HA 0.345 4.732 4.350 -0.270 -0.200 0.285 306 E C -1.453 174.750 176.600 -0.662 0.000 1.043 306 E CA -0.533 55.634 56.400 -0.389 0.000 0.839 306 E CB 0.702 30.278 29.700 -0.206 0.000 1.069 306 E HN 0.149 8.345 8.360 -0.274 0.000 0.399 307 F N 6.315 125.896 119.950 -0.614 0.000 2.499 307 F HA 0.329 4.533 4.527 -0.537 0.000 0.333 307 F C -0.912 174.814 175.800 -0.122 0.000 1.138 307 F CA -1.428 56.304 58.000 -0.447 0.000 0.945 307 F CB 2.998 41.832 39.000 -0.276 0.000 1.181 307 F HN 0.190 8.362 8.300 -0.214 0.000 0.435 308 H N 6.412 125.147 119.070 -0.558 0.000 2.626 308 H HA -0.271 4.062 4.556 -0.371 0.000 0.317 308 H C -0.287 174.889 175.328 -0.253 0.000 1.140 308 H CA 1.235 57.018 56.048 -0.441 0.000 1.134 308 H CB -1.977 27.433 29.762 -0.585 0.000 1.486 308 H HN 0.865 8.786 8.280 -0.598 0.000 0.417 309 G N -5.564 103.146 108.800 -0.150 0.000 2.162 309 G HA2 -0.391 nan 3.960 nan 0.000 0.260 309 G HA3 -0.391 nan 3.960 nan 0.000 0.260 309 G C -1.023 173.842 174.900 -0.059 0.000 0.976 309 G CA 0.140 45.187 45.100 -0.089 0.000 0.655 309 G HN 0.325 8.497 8.290 -0.197 0.000 0.533 310 V N 1.237 121.093 119.914 -0.097 0.000 2.459 310 V HA 0.127 4.218 4.120 -0.049 0.000 0.295 310 V C -0.875 175.135 176.094 -0.140 0.000 1.029 310 V CA -1.177 61.054 62.300 -0.115 0.000 0.874 310 V CB 1.683 33.369 31.823 -0.228 0.000 0.985 310 V HN -0.588 7.371 8.190 -0.122 0.157 0.438 311 Q N 5.044 124.817 119.800 -0.045 0.000 2.344 311 Q HA 0.033 4.353 4.340 -0.034 0.000 0.253 311 Q C -0.620 175.440 176.000 0.100 0.000 1.050 311 Q CA -0.394 55.420 55.803 0.019 0.000 0.912 311 Q CB -0.805 27.989 28.738 0.094 0.000 1.258 311 Q HN 0.312 8.587 8.270 0.009 0.000 0.443 312 L N 5.118 126.343 121.223 0.003 0.000 2.343 312 L HA 0.294 4.815 4.340 0.302 0.000 0.275 312 L C -0.823 176.120 176.870 0.121 0.000 1.056 312 L CA -1.148 53.754 54.840 0.104 0.000 0.804 312 L CB 1.836 43.867 42.059 -0.047 0.000 1.203 312 L HN 0.452 8.649 8.230 -0.055 0.000 0.440 313 K N 0.727 121.221 120.400 0.157 0.000 2.259 313 K HA 0.331 4.765 4.320 -0.059 -0.149 0.252 313 K C -0.981 175.658 176.600 0.064 0.000 0.936 313 K CA -1.765 54.501 56.287 -0.035 0.000 0.810 313 K CB 3.634 35.887 32.500 -0.411 0.000 1.143 313 K HN 0.276 9.026 8.250 0.350 -0.290 0.427 314 K N 6.597 127.013 120.400 0.027 0.000 2.530 314 K HA -0.630 3.838 4.320 0.048 -0.119 0.280 314 K C 0.482 177.125 176.600 0.072 0.000 1.004 314 K CA 2.469 58.782 56.287 0.043 0.000 1.071 314 K CB -0.375 32.137 32.500 0.019 0.000 0.876 314 K HN -0.034 8.520 8.250 0.002 -0.303 0.487 315 G N 6.530 115.388 108.800 0.098 0.000 2.241 315 G HA2 -0.474 nan 3.960 nan 0.000 0.244 315 G HA3 -0.474 nan 3.960 nan 0.000 0.244 315 G C -0.335 174.681 174.900 0.194 0.000 0.998 315 G CA -0.314 44.858 45.100 0.120 0.000 0.621 315 G HN 0.490 8.834 8.290 0.090 0.000 0.519 316 D N 2.607 123.174 120.400 0.279 0.000 2.443 316 D HA -0.056 4.852 4.640 0.446 0.000 0.239 316 D C -0.447 176.086 176.300 0.390 0.000 1.136 316 D CA 1.168 55.436 54.000 0.447 0.000 0.879 316 D CB 0.403 41.650 40.800 0.744 0.000 1.195 316 D HN -0.159 8.303 8.370 0.260 0.064 0.443 317 Q N 0.216 120.228 119.800 0.354 0.000 2.230 317 Q HA 0.458 5.074 4.340 0.231 -0.137 0.248 317 Q C -0.741 175.479 176.000 0.367 0.000 0.915 317 Q CA -0.404 55.557 55.803 0.263 0.000 0.900 317 Q CB 2.215 31.029 28.738 0.127 0.000 1.229 317 Q HN 0.280 8.755 8.270 0.341 0.000 0.439 318 I N 2.274 123.015 120.570 0.286 0.000 2.478 318 I HA 0.313 4.884 4.170 0.402 -0.160 0.287 318 I C -2.957 173.221 176.117 0.102 0.000 1.042 318 I CA -1.654 59.819 61.300 0.287 0.000 1.067 318 I CB 3.660 41.828 38.000 0.279 0.000 1.233 318 I HN 0.369 8.708 8.210 0.216 0.000 0.431 319 L N 8.870 130.160 121.223 0.112 0.000 2.319 319 L HA 0.142 4.470 4.340 -0.020 0.000 0.280 319 L C -2.493 174.390 176.870 0.022 0.000 1.099 319 L CA -0.105 54.754 54.840 0.033 0.000 0.828 319 L CB 1.412 43.507 42.059 0.059 0.000 1.150 319 L HN 0.485 8.852 8.230 0.229 0.000 0.442 320 L N 6.608 127.812 121.223 -0.031 0.000 2.502 320 L HA 0.522 4.797 4.340 -0.108 0.000 0.247 320 L C -2.569 174.350 176.870 0.082 0.000 1.180 320 L CA -2.978 51.798 54.840 -0.107 0.000 0.956 320 L CB 0.443 42.164 42.059 -0.563 0.000 1.282 320 L HN 0.163 8.391 8.230 -0.003 0.000 0.470 321 P HA 0.112 4.530 4.420 -0.004 0.000 0.269 321 P C 0.342 177.639 177.300 -0.006 0.000 1.252 321 P CA -0.297 62.816 63.100 0.022 0.000 0.780 321 P CB 0.362 32.099 31.700 0.061 0.000 0.829 322 Q N 5.902 125.696 119.800 -0.011 0.000 2.152 322 Q HA -0.340 4.016 4.340 0.027 0.000 0.206 322 Q C 2.451 178.375 176.000 -0.126 0.000 0.985 322 Q CA 3.573 59.350 55.803 -0.043 0.000 0.863 322 Q CB -0.271 28.408 28.738 -0.099 0.000 0.904 322 Q HN 0.492 8.754 8.270 -0.014 0.000 0.422 323 M N -0.803 118.660 119.600 -0.229 0.000 2.143 323 M HA -0.426 3.877 4.480 -0.295 0.000 0.258 323 M C 1.947 178.127 176.300 -0.200 0.000 1.071 323 M CA 3.813 58.938 55.300 -0.293 0.000 1.088 323 M CB 0.085 32.379 32.600 -0.510 0.000 1.360 323 M HN -0.367 7.751 8.290 -0.276 0.006 0.404 324 L N -5.333 115.810 121.223 -0.133 0.000 2.270 324 L HA -0.232 4.056 4.340 -0.085 0.000 0.210 324 L C 1.388 178.213 176.870 -0.076 0.000 1.104 324 L CA 1.657 56.448 54.840 -0.082 0.000 0.804 324 L CB -0.220 41.817 42.059 -0.036 0.000 0.937 324 L HN -0.392 7.630 8.230 -0.120 0.137 0.450 325 S N -0.309 115.350 115.700 -0.068 0.000 2.359 325 S HA -0.239 4.191 4.470 -0.066 0.000 0.224 325 S C 2.469 177.034 174.600 -0.058 0.000 1.035 325 S CA 3.403 61.565 58.200 -0.062 0.000 1.018 325 S CB -0.577 62.587 63.200 -0.060 0.000 0.876 325 S HN -0.630 7.641 8.310 -0.064 0.000 0.448 326 G N 0.231 108.999 108.800 -0.052 0.000 2.534 326 G HA2 -0.048 nan 3.960 nan 0.000 0.217 326 G HA3 -0.048 nan 3.960 nan 0.000 0.217 326 G C -0.059 174.793 174.900 -0.081 0.000 1.128 326 G CA 1.053 46.127 45.100 -0.043 0.000 0.784 326 G HN 0.073 8.329 8.290 -0.057 0.000 0.542 327 L N -3.989 117.174 121.223 -0.098 0.000 2.509 327 L HA -0.037 4.234 4.340 -0.114 0.000 0.222 327 L C -0.660 176.166 176.870 -0.073 0.000 1.123 327 L CA -0.427 54.352 54.840 -0.101 0.000 0.856 327 L CB -0.196 41.797 42.059 -0.109 0.000 0.985 327 L HN -1.000 7.042 8.230 -0.099 0.128 0.456 328 D N -0.325 120.036 120.400 -0.066 0.000 2.401 328 D HA -0.134 4.471 4.640 -0.059 0.000 0.254 328 D C 1.157 177.428 176.300 -0.049 0.000 1.192 328 D CA -0.094 53.871 54.000 -0.059 0.000 0.885 328 D CB 0.912 41.674 40.800 -0.062 0.000 1.147 328 D HN -0.939 7.346 8.370 -0.067 0.045 0.478 329 E N 7.549 127.723 120.200 -0.044 0.000 2.265 329 E HA -0.251 4.305 4.350 -0.031 -0.225 0.196 329 E C 0.715 177.297 176.600 -0.031 0.000 0.996 329 E CA 2.315 58.695 56.400 -0.034 0.000 0.832 329 E CB -0.711 28.972 29.700 -0.029 0.000 0.756 329 E HN 0.495 8.828 8.360 -0.045 0.000 0.491 330 R N -2.146 118.332 120.500 -0.037 0.000 2.280 330 R HA -0.107 4.215 4.340 -0.029 0.000 0.207 330 R C 1.696 177.977 176.300 -0.033 0.000 1.043 330 R CA 1.656 57.735 56.100 -0.034 0.000 1.006 330 R CB 0.036 30.311 30.300 -0.041 0.000 0.885 330 R HN -0.406 8.108 8.270 -0.042 -0.269 0.467 331 E N -3.348 116.831 120.200 -0.036 0.000 2.290 331 E HA 0.031 4.363 4.350 -0.030 0.000 0.199 331 E C -0.525 176.061 176.600 -0.023 0.000 0.912 331 E CA 0.996 57.377 56.400 -0.033 0.000 0.924 331 E CB 2.328 32.004 29.700 -0.041 0.000 0.901 331 E HN -0.206 7.970 8.360 -0.039 0.161 0.487 332 N N -2.036 116.649 118.700 -0.024 0.000 2.454 332 N HA 0.250 4.985 4.740 -0.009 0.000 0.291 332 N C -1.859 173.643 175.510 -0.013 0.000 1.079 332 N CA -0.549 52.492 53.050 -0.016 0.000 0.893 332 N CB 3.460 41.935 38.487 -0.020 0.000 1.512 332 N HN -0.454 7.908 8.380 -0.030 0.000 0.497 333 A N 2.028 124.847 122.820 -0.002 0.000 2.445 333 A HA -0.044 4.273 4.320 -0.006 0.000 0.242 333 A C 0.239 177.831 177.584 0.013 0.000 1.075 333 A CA 0.741 52.779 52.037 0.002 0.000 0.777 333 A CB 0.486 19.489 19.000 0.005 0.000 1.013 333 A HN 0.396 8.547 8.150 0.002 0.000 0.493 334 C N -1.488 117.817 119.300 0.008 0.000 3.899 334 C HA -0.163 4.301 4.460 0.007 0.000 0.297 334 C C -0.163 174.846 174.990 0.031 0.000 1.371 334 C CA -0.722 58.309 59.018 0.023 0.000 2.088 334 C CB -3.144 24.618 27.740 0.036 0.000 1.346 334 C HN 0.332 8.561 8.230 -0.001 0.000 0.658 335 P HA -0.177 4.215 4.420 -0.047 0.000 0.222 335 P C -0.341 176.910 177.300 -0.082 0.000 1.147 335 P CA 1.948 65.021 63.100 -0.047 0.000 0.790 335 P CB -0.021 31.645 31.700 -0.058 0.000 0.780 336 M N -5.309 114.261 119.600 -0.051 0.000 2.595 336 M HA 0.014 4.401 4.480 -0.154 0.000 0.248 336 M C -0.334 175.942 176.300 -0.040 0.000 1.119 336 M CA -1.305 53.948 55.300 -0.078 0.000 1.079 336 M CB -1.089 31.492 32.600 -0.031 0.000 1.472 336 M HN -0.384 7.868 8.290 -0.022 0.025 0.501 337 H N 1.660 120.674 119.070 -0.094 0.000 2.646 337 H HA 0.033 4.567 4.556 -0.036 0.000 0.325 337 H C -1.326 173.931 175.328 -0.117 0.000 1.075 337 H CA 0.196 56.206 56.048 -0.064 0.000 1.421 337 H CB 1.154 30.902 29.762 -0.024 0.000 1.461 337 H HN -0.552 7.648 8.280 0.113 0.148 0.525 338 V N 7.965 127.531 119.914 -0.580 0.000 2.385 338 V HA -0.095 3.893 4.120 -0.490 -0.162 0.269 338 V C -0.818 174.857 176.094 -0.697 0.000 1.043 338 V CA -0.370 61.562 62.300 -0.613 0.000 0.906 338 V CB -0.259 31.087 31.823 -0.796 0.000 0.995 338 V HN 0.266 8.200 8.190 -0.426 0.000 0.467 339 D N 6.992 127.131 120.400 -0.435 0.000 2.469 339 D HA 0.212 4.687 4.640 -0.275 0.000 0.251 339 D C 0.147 176.460 176.300 0.020 0.000 1.173 339 D CA -2.023 51.836 54.000 -0.236 0.000 0.882 339 D CB 1.949 42.697 40.800 -0.086 0.000 1.129 339 D HN 0.009 8.529 8.370 -0.297 -0.328 0.549 340 F N 4.253 124.237 119.950 0.056 0.000 2.451 340 F HA -0.116 4.441 4.527 0.050 0.000 0.299 340 F C 0.381 176.209 175.800 0.046 0.000 1.101 340 F CA -0.260 57.778 58.000 0.064 0.000 1.436 340 F CB -0.682 38.380 39.000 0.104 0.000 1.074 340 F HN 0.291 8.504 8.300 -0.144 0.000 0.553 341 S N -4.046 111.774 115.700 0.199 0.000 2.577 341 S HA 0.011 4.559 4.470 0.131 0.000 0.219 341 S C 0.183 174.840 174.600 0.094 0.000 0.962 341 S CA -0.660 57.617 58.200 0.129 0.000 0.921 341 S CB 0.569 63.828 63.200 0.099 0.000 0.789 341 S HN -0.470 8.167 8.310 0.157 -0.233 0.497 342 R N 2.395 122.951 120.500 0.093 0.000 2.504 342 R HA -0.258 4.119 4.340 0.061 0.000 0.291 342 R C 0.662 176.998 176.300 0.061 0.000 0.974 342 R CA 1.252 57.392 56.100 0.068 0.000 1.077 342 R CB 0.269 30.603 30.300 0.056 0.000 0.926 342 R HN -0.539 7.638 8.270 0.106 0.156 0.407 343 Q N 2.789 122.618 119.800 0.048 0.000 2.137 343 Q HA -0.119 4.248 4.340 0.045 0.000 0.198 343 Q C 0.712 176.733 176.000 0.035 0.000 0.960 343 Q CA 1.876 57.703 55.803 0.041 0.000 0.847 343 Q CB 0.443 29.202 28.738 0.034 0.000 0.915 343 Q HN 0.256 8.553 8.270 0.045 0.000 0.448 344 K N 0.588 121.006 120.400 0.030 0.000 2.575 344 K HA 0.226 4.560 4.320 0.023 0.000 0.236 344 K C -1.772 174.843 176.600 0.025 0.000 0.976 344 K CA -0.856 55.444 56.287 0.022 0.000 0.985 344 K CB 0.577 33.085 32.500 0.013 0.000 1.198 344 K HN -0.461 7.808 8.250 0.030 0.000 0.464 345 V N 5.877 125.814 119.914 0.039 0.000 2.313 345 V HA 0.016 4.166 4.120 0.051 0.000 0.252 345 V C -0.384 175.739 176.094 0.050 0.000 1.112 345 V CA -0.192 62.145 62.300 0.063 0.000 0.984 345 V CB -1.228 30.658 31.823 0.105 0.000 1.157 345 V HN 0.299 8.514 8.190 0.042 0.000 0.493 346 S N 8.984 124.695 115.700 0.018 0.000 2.489 346 S HA 0.310 4.727 4.470 -0.089 0.000 0.277 346 S C -1.678 172.932 174.600 0.017 0.000 1.230 346 S CA 0.291 58.471 58.200 -0.033 0.000 1.053 346 S CB 0.647 63.828 63.200 -0.033 0.000 0.955 346 S HN -0.033 8.542 8.310 0.018 -0.254 0.488 347 H N -0.806 118.235 119.070 -0.049 0.000 3.003 347 H HA 0.147 4.648 4.556 -0.092 0.000 0.327 347 H C -0.945 174.347 175.328 -0.060 0.000 1.353 347 H CA -0.669 55.331 56.048 -0.080 0.000 1.142 347 H CB 1.731 31.425 29.762 -0.113 0.000 1.864 347 H HN -0.283 7.817 8.280 -0.300 0.000 0.529 348 T N -4.195 110.425 114.554 0.111 0.000 3.355 348 T HA 0.393 4.793 4.350 0.083 0.000 0.276 348 T C 0.535 175.287 174.700 0.088 0.000 1.003 348 T CA -0.771 61.379 62.100 0.084 0.000 0.943 348 T CB -0.838 68.035 68.868 0.008 0.000 1.158 348 T HN 0.581 8.879 8.240 0.096 0.000 0.513 349 T N 4.031 118.690 114.554 0.175 0.000 2.788 349 T HA -0.136 4.057 4.350 -0.262 0.000 0.268 349 T C -0.345 174.155 174.700 -0.334 0.000 1.044 349 T CA 3.646 65.580 62.100 -0.277 0.000 1.139 349 T CB 0.155 68.586 68.868 -0.728 0.000 0.867 349 T HN -0.295 8.361 8.240 0.693 0.000 0.454 350 F N -2.811 117.146 119.950 0.012 0.000 2.645 350 F HA 0.153 4.643 4.527 -0.061 0.000 0.300 350 F C -0.727 175.043 175.800 -0.049 0.000 1.115 350 F CA -0.781 57.199 58.000 -0.033 0.000 1.355 350 F CB -0.977 38.010 39.000 -0.022 0.000 1.026 350 F HN -0.399 7.974 8.300 0.144 0.014 0.536 351 G N -0.966 107.865 108.800 0.052 0.000 2.660 351 G HA2 -0.398 nan 3.960 nan 0.000 0.247 351 G HA3 -0.398 nan 3.960 nan 0.000 0.247 351 G C -2.980 171.918 174.900 -0.004 0.000 1.328 351 G CA -0.383 44.662 45.100 -0.092 0.000 0.884 351 G HN -0.521 7.602 8.290 0.018 0.178 0.531 352 H N -1.477 117.453 119.070 -0.234 0.000 3.094 352 H HA 0.188 4.729 4.556 -0.026 0.000 0.346 352 H C -0.583 174.744 175.328 -0.001 0.000 1.238 352 H CA -0.740 55.262 56.048 -0.077 0.000 1.209 352 H CB 1.768 31.531 29.762 0.002 0.000 1.911 352 H HN 0.164 8.293 8.280 -0.253 0.000 0.540 353 G N 5.278 113.836 108.800 -0.405 0.000 2.527 353 G HA2 -0.287 nan 3.960 nan 0.000 0.227 353 G HA3 -0.287 nan 3.960 nan 0.000 0.227 353 G C 0.156 175.025 174.900 -0.051 0.000 1.291 353 G CA 0.072 45.102 45.100 -0.116 0.000 0.904 353 G HN -0.157 7.674 8.290 -0.765 0.000 0.577 354 S N 2.275 117.982 115.700 0.013 0.000 2.515 354 S HA -0.169 4.238 4.470 -0.106 0.000 0.231 354 S C 0.618 175.090 174.600 -0.212 0.000 0.987 354 S CA 1.661 59.790 58.200 -0.119 0.000 0.936 354 S CB -0.315 62.754 63.200 -0.219 0.000 0.766 354 S HN 0.541 8.910 8.310 0.098 0.000 0.528 355 H N 0.300 119.360 119.070 -0.017 0.000 2.537 355 H HA 0.274 4.833 4.556 0.006 0.000 0.295 355 H C 0.072 175.384 175.328 -0.027 0.000 1.054 355 H CA -0.816 55.227 56.048 -0.009 0.000 1.156 355 H CB -0.788 28.981 29.762 0.011 0.000 1.468 355 H HN -0.239 8.092 8.280 0.149 0.039 0.551 356 L N -0.346 120.890 121.223 0.023 0.000 2.615 356 L HA -0.372 4.103 4.340 0.019 -0.123 0.284 356 L C 0.434 177.314 176.870 0.017 0.000 1.237 356 L CA 0.985 55.829 54.840 0.007 0.000 0.905 356 L CB -0.070 41.971 42.059 -0.031 0.000 1.149 356 L HN -0.857 7.298 8.230 -0.014 0.066 0.499 357 C N 4.716 124.037 119.300 0.036 0.000 2.437 357 C HA -0.177 4.316 4.460 0.054 0.000 0.399 357 C C 1.417 176.366 174.990 -0.069 0.000 1.478 357 C CA 0.664 59.690 59.018 0.014 0.000 1.538 357 C CB 0.260 28.033 27.740 0.055 0.000 2.506 357 C HN -0.127 8.148 8.230 0.076 0.000 0.603 358 L N 7.105 128.316 121.223 -0.020 0.000 2.446 358 L HA -0.002 4.325 4.340 -0.022 0.000 0.219 358 L C 1.378 178.234 176.870 -0.024 0.000 1.116 358 L CA 1.039 55.871 54.840 -0.013 0.000 0.844 358 L CB 0.251 42.327 42.059 0.027 0.000 0.970 358 L HN 0.516 8.755 8.230 0.015 0.000 0.457 359 G N -3.443 105.329 108.800 -0.048 0.000 3.141 359 G HA2 0.108 nan 3.960 nan 0.000 0.218 359 G HA3 0.108 nan 3.960 nan 0.000 0.218 359 G C -0.335 174.472 174.900 -0.155 0.000 1.170 359 G CA 0.257 45.333 45.100 -0.041 0.000 0.769 359 G HN -0.546 7.720 8.290 -0.040 0.000 0.546 360 Q N 0.245 119.805 119.800 -0.399 0.000 2.167 360 Q HA -0.373 3.362 4.340 -1.008 0.000 0.202 360 Q C 1.332 177.011 176.000 -0.534 0.000 0.970 360 Q CA 2.910 58.169 55.803 -0.907 0.000 0.855 360 Q CB -0.518 27.254 28.738 -1.610 0.000 0.911 360 Q HN -0.445 7.533 8.270 -0.372 0.069 0.438 361 H N 0.819 119.734 119.070 -0.258 0.000 2.290 361 H HA -0.304 4.179 4.556 -0.122 0.000 0.298 361 H C 2.196 177.482 175.328 -0.071 0.000 1.087 361 H CA 4.264 60.234 56.048 -0.130 0.000 1.291 361 H CB -0.386 29.324 29.762 -0.086 0.000 1.369 361 H HN 0.023 8.154 8.280 -0.249 0.000 0.492 362 L N -0.503 120.768 121.223 0.081 0.000 2.042 362 L HA -0.341 4.037 4.340 0.064 0.000 0.210 362 L C 1.462 178.365 176.870 0.055 0.000 1.076 362 L CA 2.592 57.466 54.840 0.056 0.000 0.749 362 L CB -0.615 41.471 42.059 0.045 0.000 0.893 362 L HN -0.544 7.733 8.230 0.078 0.000 0.432 363 A N -1.156 121.685 122.820 0.035 0.000 1.865 363 A HA -0.314 4.076 4.320 0.117 0.000 0.217 363 A C 2.082 179.748 177.584 0.137 0.000 1.191 363 A CA 2.967 55.065 52.037 0.101 0.000 0.623 363 A CB -0.662 18.435 19.000 0.162 0.000 0.826 363 A HN 0.036 8.180 8.150 -0.011 0.000 0.444 364 R N -2.454 118.100 120.500 0.090 0.000 2.096 364 R HA -0.289 4.140 4.340 0.148 0.000 0.235 364 R C 2.476 178.857 176.300 0.135 0.000 1.127 364 R CA 3.190 59.359 56.100 0.115 0.000 0.968 364 R CB -0.009 30.328 30.300 0.063 0.000 0.861 364 R HN -0.116 8.162 8.270 0.012 0.000 0.440 365 R N -0.455 120.120 120.500 0.125 0.000 2.081 365 R HA -0.282 4.138 4.340 0.135 0.000 0.235 365 R C 2.103 178.530 176.300 0.211 0.000 1.131 365 R CA 2.816 59.002 56.100 0.143 0.000 0.960 365 R CB -0.655 29.715 30.300 0.116 0.000 0.856 365 R HN -0.164 8.169 8.270 0.105 0.000 0.436 366 E N -0.521 119.817 120.200 0.230 0.000 2.110 366 E HA -0.316 4.347 4.350 0.521 0.000 0.193 366 E C 2.681 179.560 176.600 0.465 0.000 0.988 366 E CA 3.182 59.818 56.400 0.392 0.000 0.804 366 E CB -0.152 29.682 29.700 0.224 0.000 0.745 366 E HN -0.495 7.971 8.360 0.176 0.000 0.458 367 I N 0.185 120.960 120.570 0.342 0.000 2.163 367 I HA -0.479 3.918 4.170 0.378 0.000 0.240 367 I C 1.800 178.062 176.117 0.241 0.000 1.081 367 I CA 4.405 65.904 61.300 0.331 0.000 1.353 367 I CB 0.017 38.220 38.000 0.339 0.000 1.054 367 I HN -0.230 8.153 8.210 0.288 0.000 0.407 368 I N -0.545 120.141 120.570 0.193 0.000 2.252 368 I HA -0.569 3.668 4.170 0.112 0.000 0.245 368 I C 1.825 178.021 176.117 0.132 0.000 1.102 368 I CA 4.512 65.892 61.300 0.134 0.000 1.385 368 I CB -0.409 37.656 38.000 0.108 0.000 1.064 368 I HN -0.254 8.072 8.210 0.193 0.000 0.414 369 V N 0.113 120.129 119.914 0.171 0.000 2.295 369 V HA -0.523 3.668 4.120 0.118 0.000 0.246 369 V C 2.283 178.440 176.094 0.106 0.000 1.049 369 V CA 5.157 67.549 62.300 0.153 0.000 1.024 369 V CB -1.081 30.879 31.823 0.229 0.000 0.648 369 V HN 0.035 8.348 8.190 0.205 0.000 0.447 370 T N 2.815 117.449 114.554 0.132 0.000 2.684 370 T HA -0.310 4.028 4.350 -0.019 0.000 0.267 370 T C 2.266 177.001 174.700 0.059 0.000 1.036 370 T CA 4.943 67.080 62.100 0.061 0.000 1.148 370 T CB -0.444 68.525 68.868 0.167 0.000 0.863 370 T HN -0.493 7.878 8.240 0.218 0.000 0.436 371 L N 0.680 121.951 121.223 0.079 0.000 2.012 371 L HA -0.514 3.857 4.340 0.052 0.000 0.210 371 L C 2.247 179.166 176.870 0.082 0.000 1.073 371 L CA 3.616 58.497 54.840 0.067 0.000 0.748 371 L CB -0.618 41.475 42.059 0.056 0.000 0.891 371 L HN -0.031 8.262 8.230 0.105 0.000 0.431 372 K N -1.470 118.970 120.400 0.067 0.000 2.002 372 K HA -0.393 3.957 4.320 0.050 0.000 0.209 372 K C 2.712 179.335 176.600 0.039 0.000 1.048 372 K CA 3.973 60.291 56.287 0.052 0.000 0.930 372 K CB -0.146 32.382 32.500 0.047 0.000 0.714 372 K HN -0.416 7.875 8.250 0.070 0.000 0.438 373 E N -2.265 117.953 120.200 0.031 0.000 2.216 373 E HA -0.130 4.206 4.350 -0.024 0.000 0.192 373 E C 2.224 178.792 176.600 -0.054 0.000 0.988 373 E CA 1.775 58.167 56.400 -0.013 0.000 0.834 373 E CB -0.461 29.229 29.700 -0.017 0.000 0.772 373 E HN -0.279 8.105 8.360 0.041 0.000 0.479 374 W N 1.229 122.405 121.300 -0.207 0.000 2.408 374 W HA -0.281 4.171 4.660 -0.346 0.000 0.311 374 W C 0.908 177.295 176.519 -0.221 0.000 1.190 374 W CA 4.103 61.269 57.345 -0.298 0.000 1.321 374 W CB 0.532 29.758 29.460 -0.389 0.000 1.143 374 W HN 0.195 8.457 8.180 0.135 0.000 0.501 375 L N -4.254 117.065 121.223 0.160 0.000 2.201 375 L HA -0.276 4.181 4.340 0.195 0.000 0.212 375 L C 1.628 178.498 176.870 0.001 0.000 1.105 375 L CA 2.326 57.244 54.840 0.130 0.000 0.775 375 L CB -0.410 41.746 42.059 0.161 0.000 0.913 375 L HN -0.545 7.798 8.230 0.188 0.000 0.440 376 T N -2.560 111.971 114.554 -0.038 0.000 2.788 376 T HA -0.222 4.107 4.350 -0.035 0.000 0.268 376 T C 1.041 175.668 174.700 -0.121 0.000 1.044 376 T CA 2.921 64.984 62.100 -0.062 0.000 1.139 376 T CB -0.079 68.757 68.868 -0.053 0.000 0.867 376 T HN -0.446 7.764 8.240 -0.025 0.015 0.454 377 R N -2.745 117.617 120.500 -0.229 0.000 2.167 377 R HA 0.113 4.491 4.340 -0.215 -0.166 0.201 377 R C -0.286 175.773 176.300 -0.401 0.000 1.024 377 R CA 1.073 56.991 56.100 -0.305 0.000 1.053 377 R CB 2.560 32.628 30.300 -0.386 0.000 0.987 377 R HN -0.607 7.477 8.270 -0.274 0.022 0.493 378 I N -2.729 117.505 120.570 -0.560 0.000 2.862 378 I HA 0.419 4.286 4.170 -0.505 0.000 0.285 378 I C -1.957 174.072 176.117 -0.147 0.000 1.339 378 I CA -2.934 57.989 61.300 -0.629 0.000 1.002 378 I CB 0.959 38.092 38.000 -1.445 0.000 1.618 378 I HN -0.019 7.847 8.210 -0.574 0.000 0.593 379 P HA 0.001 4.529 4.420 0.180 0.000 0.225 379 P C -1.547 175.860 177.300 0.180 0.000 1.156 379 P CA 1.306 64.481 63.100 0.124 0.000 0.787 379 P CB 0.538 32.264 31.700 0.045 0.000 0.802 380 D N -2.657 117.848 120.400 0.176 0.000 2.469 380 D HA 0.319 4.959 4.640 -0.000 0.000 0.251 380 D C -2.200 174.267 176.300 0.279 0.000 1.173 380 D CA -0.351 53.721 54.000 0.119 0.000 0.882 380 D CB 2.724 43.566 40.800 0.070 0.000 1.129 380 D HN -0.073 8.354 8.370 0.141 0.027 0.549 381 F N -1.449 118.567 119.950 0.109 0.000 2.685 381 F HA 0.648 5.469 4.527 0.309 -0.109 0.315 381 F C -2.115 173.766 175.800 0.135 0.000 1.126 381 F CA -2.214 55.914 58.000 0.214 0.000 0.950 381 F CB 2.507 41.667 39.000 0.266 0.000 1.360 381 F HN -0.339 7.781 8.300 -0.301 0.000 0.469 382 S N -3.466 112.414 115.700 0.300 0.000 2.625 382 S HA 0.413 5.031 4.470 -0.031 -0.166 0.271 382 S C -1.224 173.483 174.600 0.178 0.000 1.161 382 S CA -1.163 57.099 58.200 0.103 0.000 0.820 382 S CB 3.613 66.841 63.200 0.047 0.000 1.137 382 S HN 0.211 8.810 8.310 0.481 0.000 0.470 383 I N 1.103 121.722 120.570 0.083 0.000 2.648 383 I HA -0.040 4.317 4.170 0.104 -0.125 0.284 383 I C 1.032 177.194 176.117 0.076 0.000 1.153 383 I CA -0.887 60.460 61.300 0.078 0.000 1.426 383 I CB -0.742 37.277 38.000 0.032 0.000 1.381 383 I HN 0.439 8.667 8.210 0.030 0.000 0.571 384 A N 7.901 130.767 122.820 0.076 0.000 2.520 384 A HA 0.019 4.370 4.320 0.052 0.000 0.235 384 A C -2.064 175.539 177.584 0.032 0.000 1.065 384 A CA -1.116 50.952 52.037 0.051 0.000 0.764 384 A CB -0.715 18.311 19.000 0.043 0.000 1.002 384 A HN 0.148 8.349 8.150 0.085 0.000 0.502 385 P HA -0.129 4.299 4.420 0.014 0.000 0.261 385 P C 0.514 177.822 177.300 0.013 0.000 1.183 385 P CA 1.458 64.566 63.100 0.014 0.000 0.761 385 P CB -0.144 31.561 31.700 0.007 0.000 0.785 386 G N 1.646 110.452 108.800 0.011 0.000 2.155 386 G HA2 -0.335 nan 3.960 nan 0.000 0.257 386 G HA3 -0.335 nan 3.960 nan 0.000 0.257 386 G C -0.821 174.086 174.900 0.012 0.000 0.983 386 G CA 0.069 45.175 45.100 0.010 0.000 0.676 386 G HN 0.271 8.567 8.290 0.010 0.000 0.528 387 A N -0.194 122.636 122.820 0.016 0.000 2.354 387 A HA 0.016 4.348 4.320 0.019 0.000 0.269 387 A C -0.995 176.598 177.584 0.016 0.000 1.109 387 A CA 0.187 52.236 52.037 0.020 0.000 0.800 387 A CB 0.647 19.664 19.000 0.029 0.000 1.045 387 A HN -0.579 7.541 8.150 0.018 0.041 0.489 388 Q N 2.809 122.617 119.800 0.014 0.000 2.348 388 Q HA 0.084 4.426 4.340 0.003 0.000 0.265 388 Q C -1.099 174.906 176.000 0.008 0.000 0.998 388 Q CA -1.072 54.735 55.803 0.007 0.000 0.831 388 Q CB 1.204 29.944 28.738 0.004 0.000 1.251 388 Q HN 0.170 8.450 8.270 0.016 0.000 0.456 389 I N 5.500 126.071 120.570 0.001 0.000 2.396 389 I HA -0.046 4.145 4.170 0.036 0.000 0.289 389 I C -0.244 175.859 176.117 -0.022 0.000 1.056 389 I CA -1.095 60.214 61.300 0.014 0.000 1.365 389 I CB -0.438 37.584 38.000 0.036 0.000 1.407 389 I HN 0.167 8.374 8.210 -0.005 0.000 0.509 390 Q N 7.184 127.008 119.800 0.041 0.000 2.290 390 Q HA 0.210 4.549 4.340 -0.001 0.000 0.259 390 Q C -1.471 174.652 176.000 0.205 0.000 0.941 390 Q CA -1.501 54.336 55.803 0.057 0.000 0.912 390 Q CB 2.226 31.002 28.738 0.063 0.000 1.244 390 Q HN 0.330 8.639 8.270 0.065 0.000 0.441 391 H N 4.573 123.709 119.070 0.109 0.000 2.523 391 H HA 0.570 5.306 4.556 0.113 -0.112 0.345 391 H C -0.455 174.956 175.328 0.138 0.000 1.261 391 H CA -1.941 54.197 56.048 0.150 0.000 1.343 391 H CB 2.817 32.740 29.762 0.268 0.000 1.650 391 H HN 0.343 8.705 8.280 0.137 0.000 0.591 392 K N -3.167 117.407 120.400 0.289 0.000 2.502 392 K HA 0.420 4.862 4.320 0.203 0.000 0.257 392 K C -2.388 174.359 176.600 0.244 0.000 0.938 392 K CA -1.251 55.164 56.287 0.213 0.000 0.819 392 K CB 3.540 36.127 32.500 0.144 0.000 1.333 392 K HN 0.276 8.698 8.250 0.287 0.000 0.434 393 S N 1.049 116.893 115.700 0.241 0.000 2.536 393 S HA 0.669 5.317 4.470 0.298 0.000 0.298 393 S C -0.273 174.465 174.600 0.231 0.000 1.083 393 S CA -1.499 56.873 58.200 0.286 0.000 0.995 393 S CB 2.178 65.595 63.200 0.362 0.000 1.058 393 S HN 0.542 8.982 8.310 0.217 0.000 0.488 394 G N 3.543 112.441 108.800 0.163 0.000 2.435 394 G HA2 0.291 nan 3.960 nan 0.000 0.228 394 G HA3 0.291 nan 3.960 nan 0.000 0.228 394 G C -0.888 173.952 174.900 -0.099 0.000 1.198 394 G CA 0.541 45.634 45.100 -0.011 0.000 0.948 394 G HN -0.330 8.065 8.290 0.175 0.000 0.487 395 I N -0.123 120.375 120.570 -0.119 0.000 2.226 395 I HA -0.247 3.913 4.170 -0.303 -0.172 0.245 395 I C 0.048 176.074 176.117 -0.151 0.000 1.100 395 I CA 2.494 63.648 61.300 -0.242 0.000 1.374 395 I CB -0.022 37.711 38.000 -0.446 0.000 1.057 395 I HN -0.191 8.023 8.210 0.007 0.000 0.413 396 V N -3.893 115.995 119.914 -0.044 0.000 2.487 396 V HA 0.290 4.561 4.120 -0.055 -0.184 0.298 396 V C -0.027 176.094 176.094 0.045 0.000 1.028 396 V CA -1.984 60.310 62.300 -0.010 0.000 0.860 396 V CB 2.496 34.340 31.823 0.035 0.000 0.991 396 V HN -0.750 7.442 8.190 0.003 0.000 0.427 397 S N 6.964 122.699 115.700 0.058 0.000 2.672 397 S HA 0.353 5.002 4.470 0.162 -0.081 0.276 397 S C -0.820 173.943 174.600 0.272 0.000 1.207 397 S CA -0.567 57.735 58.200 0.169 0.000 1.002 397 S CB 1.908 65.187 63.200 0.133 0.000 0.998 397 S HN 0.277 8.593 8.310 0.009 0.000 0.542 398 G N -1.270 107.653 108.800 0.205 0.000 2.682 398 G HA2 0.429 nan 3.960 nan 0.000 0.303 398 G HA3 0.429 nan 3.960 nan 0.000 0.303 398 G C -3.030 171.669 174.900 -0.335 0.000 1.341 398 G CA -0.271 44.724 45.100 -0.176 0.000 0.784 398 G HN 0.088 8.514 8.290 0.225 0.000 0.497 399 V N -1.589 118.061 119.914 -0.440 0.000 2.448 399 V HA 0.305 4.375 4.120 -0.084 0.000 0.295 399 V C -0.521 175.534 176.094 -0.065 0.000 1.025 399 V CA -0.598 61.551 62.300 -0.251 0.000 0.859 399 V CB 1.022 32.611 31.823 -0.390 0.000 0.988 399 V HN 0.324 8.260 8.190 -0.424 0.000 0.431 400 Q N 7.799 127.622 119.800 0.040 0.000 2.079 400 Q HA -0.192 4.165 4.340 0.028 0.000 0.200 400 Q C -0.555 175.465 176.000 0.034 0.000 0.974 400 Q CA 1.782 57.610 55.803 0.041 0.000 0.840 400 Q CB 1.153 29.929 28.738 0.064 0.000 0.898 400 Q HN 0.687 9.015 8.270 0.097 0.000 0.430 401 A N -5.289 117.557 122.820 0.045 0.000 2.589 401 A HA 0.188 4.538 4.320 0.050 0.000 0.296 401 A C -2.802 174.820 177.584 0.063 0.000 1.062 401 A CA -0.414 51.654 52.037 0.051 0.000 0.686 401 A CB 2.704 21.735 19.000 0.051 0.000 1.282 401 A HN -0.265 7.919 8.150 0.056 0.000 0.404 402 L N 0.225 121.500 121.223 0.087 0.000 2.480 402 L HA 0.468 4.850 4.340 0.070 0.000 0.253 402 L C -2.449 174.500 176.870 0.130 0.000 1.324 402 L CA -3.641 51.255 54.840 0.095 0.000 0.916 402 L CB 2.245 44.358 42.059 0.091 0.000 1.160 402 L HN 0.311 8.602 8.230 0.101 0.000 0.503 403 P HA 0.369 5.041 4.420 0.133 -0.172 0.282 403 P C -1.239 176.145 177.300 0.140 0.000 1.274 403 P CA -0.717 62.451 63.100 0.115 0.000 0.770 403 P CB 0.199 31.943 31.700 0.073 0.000 0.867 404 L N 4.188 125.538 121.223 0.211 0.000 2.330 404 L HA 0.870 5.535 4.340 0.272 -0.161 0.271 404 L C -0.670 176.359 176.870 0.265 0.000 1.013 404 L CA -1.652 53.377 54.840 0.315 0.000 0.816 404 L CB 3.426 45.769 42.059 0.473 0.000 1.287 404 L HN 0.112 8.482 8.230 0.234 0.000 0.435 405 V N -5.648 114.449 119.914 0.306 0.000 3.078 405 V HA 0.955 5.103 4.120 -0.223 -0.163 0.311 405 V C -2.058 174.278 176.094 0.403 0.000 1.138 405 V CA -2.979 59.375 62.300 0.090 0.000 1.007 405 V CB 3.522 35.347 31.823 0.005 0.000 1.045 405 V HN 0.430 8.845 8.190 0.376 0.000 0.432 406 W N -2.585 118.786 121.300 0.119 0.000 3.059 406 W HA 0.416 5.147 4.660 0.118 0.000 0.329 406 W C -2.528 174.028 176.519 0.061 0.000 1.246 406 W CA -1.341 56.073 57.345 0.114 0.000 1.190 406 W CB 1.715 31.268 29.460 0.155 0.000 1.423 406 W HN 0.262 8.106 8.180 -0.406 0.092 0.571 407 D N 1.840 122.400 120.400 0.265 0.000 2.316 407 D HA 0.204 4.877 4.640 0.055 0.000 0.245 407 D C -0.596 175.851 176.300 0.244 0.000 1.171 407 D CA -3.794 50.295 54.000 0.147 0.000 0.856 407 D CB 1.226 42.093 40.800 0.111 0.000 1.090 407 D HN 0.228 8.783 8.370 0.309 0.000 0.476 408 P HA -0.172 4.453 4.420 0.343 0.000 0.217 408 P C 1.091 178.469 177.300 0.129 0.000 1.148 408 P CA 0.991 64.213 63.100 0.203 0.000 0.828 408 P CB -0.028 31.731 31.700 0.098 0.000 0.783 409 A N -0.186 122.687 122.820 0.088 0.000 1.940 409 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 409 A C 1.864 179.482 177.584 0.058 0.000 1.176 409 A CA 2.212 54.283 52.037 0.058 0.000 0.631 409 A CB -2.090 16.936 19.000 0.044 0.000 0.814 409 A HN 0.356 nan 8.150 nan 0.000 0.446 410 T N 0.179 114.781 114.554 0.081 0.000 3.745 410 T HA -0.047 4.303 4.350 -0.000 0.000 0.253 410 T C 0.268 174.991 174.700 0.039 0.000 1.088 410 T CA -0.368 61.770 62.100 0.064 0.000 0.969 410 T CB -0.638 68.283 68.868 0.088 0.000 1.075 410 T HN 0.266 nan 8.240 nan 0.000 0.608 411 T N -3.575 110.996 114.554 0.030 0.000 2.737 411 T HA 0.270 4.619 4.350 -0.000 0.000 0.312 411 T C -2.152 172.546 174.700 -0.003 0.000 1.857 411 T CA -1.114 60.983 62.100 -0.005 0.000 0.999 411 T CB 1.195 70.035 68.868 -0.047 0.000 1.854 411 T HN -0.275 nan 8.240 nan 0.000 0.513 412 K N 0.205 120.590 120.400 -0.026 0.000 2.428 412 K HA 0.513 4.833 4.320 -0.000 0.000 0.279 412 K C -0.659 175.915 176.600 -0.044 0.000 1.041 412 K CA -0.884 55.390 56.287 -0.023 0.000 0.887 412 K CB 1.272 33.765 32.500 -0.012 0.000 1.535 412 K HN 0.232 nan 8.250 nan 0.000 0.417 413 A N 1.141 123.940 122.820 -0.035 0.000 2.407 413 A HA 0.271 4.590 4.320 -0.000 0.000 0.248 413 A C -0.692 176.868 177.584 -0.040 0.000 1.082 413 A CA -0.468 51.543 52.037 -0.044 0.000 0.785 413 A CB 0.377 19.360 19.000 -0.029 0.000 1.020 413 A HN 0.120 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.886 119.914 -0.047 0.000 2.409 414 V HA 0.000 4.101 4.120 -0.032 0.000 0.244 414 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 414 V CB 0.000 31.801 31.823 -0.036 0.000 1.184 414 V HN 0.000 8.156 8.190 -0.057 0.000 0.556