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 1phd_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 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.491 175.510 -0.031 0.000 1.280 10 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 10 N CB 0.000 38.476 38.487 -0.019 0.000 1.341 11 L N 2.158 123.362 121.223 -0.032 0.000 2.295 11 L HA 0.724 5.064 4.340 -0.000 0.000 0.285 11 L C 0.765 177.630 176.870 -0.008 0.000 1.035 11 L CA -0.472 54.349 54.840 -0.032 0.000 0.806 11 L CB 1.295 43.329 42.059 -0.042 0.000 1.214 11 L HN 0.560 nan 8.230 nan 0.000 0.426 12 A N 5.895 128.719 122.820 0.006 0.000 2.302 12 A HA 0.776 5.096 4.320 -0.000 0.000 0.285 12 A C -2.306 175.309 177.584 0.052 0.000 1.105 12 A CA -1.280 50.778 52.037 0.034 0.000 0.816 12 A CB -0.165 18.866 19.000 0.051 0.000 1.067 12 A HN 0.554 nan 8.150 nan 0.000 0.489 13 P HA 0.132 nan 4.420 nan 0.000 0.268 13 P C -0.537 176.783 177.300 0.033 0.000 1.205 13 P CA -0.195 62.919 63.100 0.024 0.000 0.771 13 P CB 0.444 32.152 31.700 0.014 0.000 0.858 14 L N 6.224 127.438 121.223 -0.015 0.000 2.410 14 L HA 0.270 4.610 4.340 -0.000 0.000 0.273 14 L C -1.891 174.864 176.870 -0.192 0.000 1.144 14 L CA -1.565 53.200 54.840 -0.125 0.000 0.863 14 L CB -0.509 41.450 42.059 -0.166 0.000 1.140 14 L HN 0.313 nan 8.230 nan 0.000 0.463 15 P HA 0.215 nan 4.420 nan 0.000 0.272 15 P C -2.375 174.759 177.300 -0.276 0.000 1.240 15 P CA -1.303 61.658 63.100 -0.231 0.000 0.791 15 P CB -0.048 31.486 31.700 -0.278 0.000 0.978 16 P HA -0.145 nan 4.420 nan 0.000 0.218 16 P C 1.284 178.555 177.300 -0.049 0.000 1.149 16 P CA 1.390 64.461 63.100 -0.048 0.000 0.817 16 P CB -0.386 31.326 31.700 0.020 0.000 0.785 17 H N -2.032 116.970 119.070 -0.114 0.000 2.556 17 H HA 0.101 4.657 4.556 -0.000 0.000 0.268 17 H C 0.044 175.324 175.328 -0.080 0.000 0.996 17 H CA 0.284 56.295 56.048 -0.062 0.000 1.157 17 H CB -0.931 28.832 29.762 0.002 0.000 1.355 17 H HN -0.054 nan 8.280 nan 0.000 0.597 18 V N 4.693 124.251 119.914 -0.593 0.000 2.385 18 V HA 0.194 4.314 4.120 -0.000 0.000 0.269 18 V C -2.038 173.859 176.094 -0.329 0.000 1.043 18 V CA -1.651 60.299 62.300 -0.584 0.000 0.906 18 V CB 1.282 32.400 31.823 -1.175 0.000 0.995 18 V HN 0.198 nan 8.190 nan 0.000 0.467 19 P HA 0.141 nan 4.420 nan 0.000 0.271 19 P C 0.792 177.925 177.300 -0.279 0.000 1.220 19 P CA -0.301 62.664 63.100 -0.225 0.000 0.768 19 P CB 0.524 32.024 31.700 -0.333 0.000 0.848 20 E N 2.655 122.767 120.200 -0.147 0.000 2.333 20 E HA -0.258 4.092 4.350 -0.000 0.000 0.198 20 E C 1.165 177.737 176.600 -0.047 0.000 1.007 20 E CA 0.899 57.246 56.400 -0.089 0.000 0.845 20 E CB -0.612 29.065 29.700 -0.039 0.000 0.766 20 E HN 0.619 nan 8.360 nan 0.000 0.507 21 H N 0.639 119.723 119.070 0.023 0.000 2.529 21 H HA 0.082 4.638 4.556 -0.000 0.000 0.277 21 H C 1.668 177.042 175.328 0.077 0.000 0.999 21 H CA 0.448 56.523 56.048 0.044 0.000 1.256 21 H CB -0.076 29.707 29.762 0.035 0.000 1.402 21 H HN 0.250 nan 8.280 nan 0.000 0.566 22 L N 1.525 122.590 121.223 -0.264 0.000 2.607 22 L HA 0.165 4.504 4.340 -0.000 0.000 0.228 22 L C 0.273 177.189 176.870 0.076 0.000 1.123 22 L CA -0.253 54.563 54.840 -0.041 0.000 0.890 22 L CB 0.614 42.671 42.059 -0.003 0.000 1.103 22 L HN -0.020 nan 8.230 nan 0.000 0.468 23 V N 0.725 120.671 119.914 0.052 0.000 2.572 23 V HA 0.021 4.141 4.120 -0.000 0.000 0.291 23 V C -0.555 175.644 176.094 0.174 0.000 1.039 23 V CA 0.336 62.699 62.300 0.105 0.000 1.055 23 V CB 0.869 32.721 31.823 0.048 0.000 0.969 23 V HN 0.084 nan 8.190 nan 0.000 0.482 24 F N 3.624 123.571 119.950 -0.006 0.000 3.051 24 F HA 0.359 4.886 4.527 -0.000 0.000 0.363 24 F C -0.212 175.561 175.800 -0.045 0.000 1.257 24 F CA -0.814 57.175 58.000 -0.017 0.000 1.126 24 F CB 1.284 40.274 39.000 -0.017 0.000 1.476 24 F HN 0.519 nan 8.300 nan 0.000 0.576 25 D N 6.464 126.652 120.400 -0.353 0.000 2.498 25 D HA 0.032 4.672 4.640 -0.000 0.000 0.229 25 D C -0.478 175.692 176.300 -0.216 0.000 1.188 25 D CA 0.448 54.298 54.000 -0.250 0.000 1.028 25 D CB 0.180 40.849 40.800 -0.219 0.000 1.087 25 D HN 0.260 nan 8.370 nan 0.000 0.510 26 F N 1.995 121.803 119.950 -0.236 0.000 2.404 26 F HA 0.166 4.693 4.527 -0.000 0.000 0.345 26 F C 0.219 175.893 175.800 -0.210 0.000 1.110 26 F CA -0.879 57.010 58.000 -0.187 0.000 1.130 26 F CB 1.136 40.082 39.000 -0.090 0.000 1.129 26 F HN -0.061 nan 8.300 nan 0.000 0.500 27 D N 6.980 126.962 120.400 -0.697 0.000 2.460 27 D HA 0.122 4.761 4.640 -0.000 0.000 0.232 27 D C 0.898 176.751 176.300 -0.745 0.000 1.079 27 D CA -0.499 53.224 54.000 -0.462 0.000 0.864 27 D CB 0.917 41.558 40.800 -0.266 0.000 1.048 27 D HN 0.721 nan 8.370 nan 0.000 0.523 28 M N 1.840 121.159 119.600 -0.467 0.000 2.446 28 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 28 M C 0.149 176.207 176.300 -0.405 0.000 1.066 28 M CA 1.286 56.315 55.300 -0.451 0.000 1.087 28 M CB -0.254 32.245 32.600 -0.168 0.000 1.406 28 M HN 0.210 nan 8.290 nan 0.000 0.459 29 Y N 0.463 120.707 120.300 -0.093 0.000 2.478 29 Y HA 0.294 4.844 4.550 -0.000 0.000 0.261 29 Y C 0.718 176.585 175.900 -0.055 0.000 1.127 29 Y CA 0.021 58.108 58.100 -0.022 0.000 1.288 29 Y CB 0.435 38.887 38.460 -0.013 0.000 1.084 29 Y HN 0.464 nan 8.280 nan 0.000 0.530 30 N N 0.767 119.427 118.700 -0.065 0.000 2.884 30 N HA 0.090 4.830 4.740 -0.000 0.000 0.211 30 N C -3.371 171.984 175.510 -0.258 0.000 1.442 30 N CA -0.909 52.084 53.050 -0.094 0.000 0.757 30 N CB 1.029 39.500 38.487 -0.026 0.000 1.461 30 N HN -0.141 nan 8.380 nan 0.000 0.557 31 P HA 0.126 nan 4.420 nan 0.000 0.271 31 P C 0.679 177.845 177.300 -0.223 0.000 1.233 31 P CA -0.063 62.713 63.100 -0.539 0.000 0.789 31 P CB 1.127 32.530 31.700 -0.496 0.000 0.951 32 S N 0.050 115.649 115.700 -0.170 0.000 2.357 32 S HA -0.070 4.400 4.470 -0.000 0.000 0.221 32 S C 1.359 175.950 174.600 -0.016 0.000 1.031 32 S CA 0.963 59.119 58.200 -0.074 0.000 0.982 32 S CB -0.595 62.575 63.200 -0.051 0.000 0.853 32 S HN 0.548 nan 8.310 nan 0.000 0.458 33 N N 1.767 120.480 118.700 0.022 0.000 2.416 33 N HA 0.097 4.837 4.740 -0.000 0.000 0.215 33 N C 1.017 176.563 175.510 0.059 0.000 1.208 33 N CA -0.075 53.004 53.050 0.047 0.000 0.834 33 N CB 0.086 38.618 38.487 0.075 0.000 1.072 33 N HN 0.169 nan 8.380 nan 0.000 0.472 34 L N 1.001 122.254 121.223 0.050 0.000 2.021 34 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 34 L C 2.102 179.001 176.870 0.047 0.000 1.074 34 L CA 1.726 56.612 54.840 0.078 0.000 0.760 34 L CB -0.746 41.358 42.059 0.074 0.000 0.889 34 L HN 0.113 nan 8.230 nan 0.000 0.433 35 S N -0.434 115.278 115.700 0.020 0.000 2.392 35 S HA -0.274 4.196 4.470 -0.000 0.000 0.232 35 S C 2.024 176.614 174.600 -0.017 0.000 1.041 35 S CA 1.249 59.445 58.200 -0.007 0.000 1.026 35 S CB -0.779 62.422 63.200 0.002 0.000 0.845 35 S HN 0.668 nan 8.310 nan 0.000 0.465 36 A N 0.860 123.690 122.820 0.017 0.000 2.121 36 A HA 0.447 4.767 4.320 -0.000 0.000 0.218 36 A C 1.171 178.777 177.584 0.037 0.000 1.154 36 A CA 0.945 53.001 52.037 0.031 0.000 0.679 36 A CB -0.731 18.304 19.000 0.058 0.000 0.795 36 A HN 1.054 nan 8.150 nan 0.000 0.458 37 G N -2.934 105.880 108.800 0.024 0.000 2.525 37 G HA2 0.115 4.075 3.960 -0.000 0.000 0.685 37 G HA3 0.115 4.075 3.960 -0.000 0.000 0.685 37 G C 0.348 175.437 174.900 0.316 0.000 1.285 37 G CA -0.156 45.023 45.100 0.131 0.000 0.849 37 G HN 0.820 nan 8.290 nan 0.000 0.653 38 V N 0.855 121.126 119.914 0.596 0.000 2.427 38 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 38 V C 2.662 178.933 176.094 0.294 0.000 1.051 38 V CA 3.252 65.802 62.300 0.416 0.000 1.048 38 V CB -0.201 31.858 31.823 0.394 0.000 0.666 38 V HN 0.759 nan 8.190 nan 0.000 0.456 39 Q N 0.015 119.886 119.800 0.118 0.000 2.123 39 Q HA -0.147 4.193 4.340 -0.000 0.000 0.199 39 Q C 2.044 178.118 176.000 0.123 0.000 0.966 39 Q CA 1.738 57.548 55.803 0.012 0.000 0.845 39 Q CB -0.370 28.271 28.738 -0.161 0.000 0.907 39 Q HN 0.667 nan 8.270 nan 0.000 0.439 40 E N 0.601 120.884 120.200 0.138 0.000 2.153 40 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 40 E C 1.801 178.507 176.600 0.177 0.000 0.988 40 E CA 1.224 57.700 56.400 0.126 0.000 0.811 40 E CB -0.444 29.319 29.700 0.105 0.000 0.746 40 E HN 0.389 nan 8.360 nan 0.000 0.466 41 A N -0.028 122.939 122.820 0.245 0.000 1.898 41 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 41 A C 1.781 179.562 177.584 0.328 0.000 1.181 41 A CA 1.179 53.365 52.037 0.248 0.000 0.620 41 A CB -0.949 18.183 19.000 0.219 0.000 0.819 41 A HN 0.346 nan 8.150 nan 0.000 0.442 42 W N -0.286 121.140 121.300 0.210 0.000 2.388 42 W HA 0.090 4.749 4.660 -0.000 0.000 0.294 42 W C 2.615 179.124 176.519 -0.016 0.000 1.212 42 W CA 1.149 58.593 57.345 0.165 0.000 1.271 42 W CB -0.351 29.156 29.460 0.079 0.000 1.126 42 W HN 0.347 nan 8.180 nan 0.000 0.535 43 A N 0.494 123.435 122.820 0.202 0.000 2.225 43 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 43 A C 2.000 179.594 177.584 0.015 0.000 1.164 43 A CA 1.753 53.829 52.037 0.066 0.000 0.710 43 A CB -1.225 17.796 19.000 0.034 0.000 0.780 43 A HN 0.284 nan 8.150 nan 0.000 0.473 44 V N -2.080 117.863 119.914 0.049 0.000 2.490 44 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 44 V C 2.018 178.035 176.094 -0.129 0.000 1.061 44 V CA 1.922 64.240 62.300 0.029 0.000 1.064 44 V CB -0.954 30.960 31.823 0.151 0.000 0.670 44 V HN 0.460 nan 8.190 nan 0.000 0.461 45 L N -0.128 120.961 121.223 -0.223 0.000 2.349 45 L HA -0.122 4.218 4.340 -0.000 0.000 0.220 45 L C 2.569 179.259 176.870 -0.301 0.000 1.130 45 L CA 1.606 56.197 54.840 -0.415 0.000 0.791 45 L CB -0.592 41.184 42.059 -0.471 0.000 0.918 45 L HN 0.441 nan 8.230 nan 0.000 0.444 46 Q N -1.073 118.618 119.800 -0.181 0.000 2.219 46 Q HA 0.097 4.437 4.340 -0.000 0.000 0.209 46 Q C -0.037 175.893 176.000 -0.116 0.000 0.854 46 Q CA -0.309 55.410 55.803 -0.139 0.000 0.960 46 Q CB 0.669 29.349 28.738 -0.096 0.000 1.116 46 Q HN 0.292 nan 8.270 nan 0.000 0.500 47 E N 0.830 120.956 120.200 -0.124 0.000 2.418 47 E HA -0.040 4.310 4.350 -0.000 0.000 0.261 47 E C 1.074 177.618 176.600 -0.093 0.000 1.070 47 E CA 0.330 56.680 56.400 -0.085 0.000 0.931 47 E CB 0.990 30.651 29.700 -0.065 0.000 0.954 47 E HN 0.210 nan 8.360 nan 0.000 0.439 48 S N 2.274 117.939 115.700 -0.058 0.000 2.387 48 S HA -0.319 4.151 4.470 -0.000 0.000 0.230 48 S C 1.319 175.892 174.600 -0.046 0.000 1.035 48 S CA 1.870 60.040 58.200 -0.049 0.000 1.014 48 S CB -0.625 62.556 63.200 -0.031 0.000 0.836 48 S HN 0.694 nan 8.310 nan 0.000 0.466 49 N N 1.009 119.687 118.700 -0.036 0.000 2.453 49 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 49 N C -0.087 175.394 175.510 -0.048 0.000 1.041 49 N CA 0.613 53.655 53.050 -0.014 0.000 0.900 49 N CB -0.348 38.157 38.487 0.031 0.000 0.961 49 N HN 0.322 nan 8.380 nan 0.000 0.443 50 V N 1.771 121.599 119.914 -0.144 0.000 2.432 50 V HA 0.331 4.450 4.120 -0.000 0.000 0.275 50 V C -1.980 174.030 176.094 -0.141 0.000 1.043 50 V CA -1.883 60.270 62.300 -0.244 0.000 0.925 50 V CB 0.923 32.408 31.823 -0.563 0.000 0.985 50 V HN 0.117 nan 8.190 nan 0.000 0.466 51 P HA 0.208 nan 4.420 nan 0.000 0.272 51 P C 0.224 177.490 177.300 -0.058 0.000 1.223 51 P CA -0.292 62.795 63.100 -0.022 0.000 0.784 51 P CB 0.790 32.528 31.700 0.062 0.000 0.923 52 D N -0.068 120.296 120.400 -0.061 0.000 2.149 52 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 52 D C 0.431 176.697 176.300 -0.057 0.000 0.990 52 D CA 1.553 55.496 54.000 -0.095 0.000 0.839 52 D CB -0.139 40.575 40.800 -0.144 0.000 0.948 52 D HN 0.126 nan 8.370 nan 0.000 0.460 53 L N 0.541 121.773 121.223 0.015 0.000 2.376 53 L HA 0.388 4.728 4.340 -0.000 0.000 0.275 53 L C -0.667 176.351 176.870 0.246 0.000 0.987 53 L CA -0.961 53.956 54.840 0.128 0.000 0.828 53 L CB 1.748 43.867 42.059 0.100 0.000 1.249 53 L HN -0.129 nan 8.230 nan 0.000 0.409 54 V N 1.946 122.037 119.914 0.295 0.000 3.113 54 V HA 0.689 4.809 4.120 -0.000 0.000 0.316 54 V C -1.310 175.009 176.094 0.375 0.000 1.125 54 V CA -0.781 61.693 62.300 0.290 0.000 1.026 54 V CB 2.076 33.985 31.823 0.144 0.000 1.080 54 V HN 0.931 nan 8.190 nan 0.000 0.444 55 W N 1.649 122.892 121.300 -0.095 0.000 2.702 55 W HA 0.684 5.344 4.660 0.001 0.000 0.331 55 W C -0.993 175.335 176.519 -0.317 0.000 1.049 55 W CA -0.149 56.923 57.345 -0.455 0.000 1.230 55 W CB 2.088 31.058 29.460 -0.815 0.000 1.408 55 W HN 0.937 nan 8.180 nan 0.000 0.492 56 T N 4.162 118.087 114.554 -1.047 0.000 2.918 56 T HA 0.438 4.787 4.350 -0.000 0.000 0.286 56 T C 0.633 174.831 174.700 -0.836 0.000 1.026 56 T CA -0.487 61.205 62.100 -0.680 0.000 1.031 56 T CB 1.553 70.080 68.868 -0.569 0.000 1.046 56 T HN 0.642 nan 8.240 nan 0.000 0.479 57 R N 1.210 121.500 120.500 -0.349 0.000 2.334 57 R HA 0.275 4.615 4.340 -0.000 0.000 0.216 57 R C 0.278 176.481 176.300 -0.162 0.000 0.905 57 R CA -0.267 55.727 56.100 -0.177 0.000 1.064 57 R CB -0.180 30.113 30.300 -0.011 0.000 1.046 57 R HN 0.547 nan 8.270 nan 0.000 0.508 58 C N 0.998 120.180 119.300 -0.197 0.000 2.500 58 C HA 0.185 4.645 4.460 -0.000 0.000 0.367 58 C C 0.828 175.800 174.990 -0.030 0.000 1.283 58 C CA -0.669 58.292 59.018 -0.096 0.000 2.456 58 C CB 0.427 28.113 27.740 -0.089 0.000 2.457 58 C HN 0.683 nan 8.230 nan 0.000 0.632 59 N N 0.340 119.062 118.700 0.036 0.000 2.708 59 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 59 N C 0.712 176.271 175.510 0.082 0.000 1.097 59 N CA 0.911 54.020 53.050 0.098 0.000 0.710 59 N CB -1.347 37.266 38.487 0.210 0.000 1.032 59 N HN 1.485 nan 8.380 nan 0.000 0.551 60 G N -1.800 107.016 108.800 0.027 0.000 2.176 60 G HA2 0.128 4.088 3.960 -0.000 0.000 0.253 60 G HA3 0.128 4.088 3.960 -0.000 0.000 0.253 60 G C 0.580 175.479 174.900 -0.002 0.000 0.979 60 G CA 0.350 45.466 45.100 0.027 0.000 0.641 60 G HN 1.654 nan 8.290 nan 0.000 0.530 61 G N -0.807 107.892 108.800 -0.168 0.000 2.981 61 G HA2 0.510 4.470 3.960 -0.000 0.000 0.686 61 G HA3 0.510 4.470 3.960 -0.000 0.000 0.686 61 G C -0.408 173.950 174.900 -0.904 0.000 1.068 61 G CA 0.639 45.379 45.100 -0.600 0.000 0.806 61 G HN 2.843 nan 8.290 nan 0.000 0.568 62 H N -1.715 116.334 119.070 -1.701 0.000 2.987 62 H HA 0.663 5.219 4.556 -0.000 0.000 0.316 62 H C -0.666 174.031 175.328 -1.050 0.000 1.380 62 H CA -1.604 53.824 56.048 -1.033 0.000 1.160 62 H CB 0.143 29.700 29.762 -0.341 0.000 1.865 62 H HN 0.676 nan 8.280 nan 0.000 0.521 63 W N 0.666 121.916 121.300 -0.084 0.000 2.253 63 W HA 0.655 5.315 4.660 -0.000 0.000 0.348 63 W C -0.325 176.265 176.519 0.119 0.000 1.229 63 W CA -0.644 56.765 57.345 0.105 0.000 1.335 63 W CB 0.901 30.537 29.460 0.294 0.000 1.165 63 W HN 0.439 nan 8.180 nan 0.000 0.631 64 I N 2.373 123.143 120.570 0.333 0.000 2.512 64 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 64 I C -0.292 175.912 176.117 0.145 0.000 1.069 64 I CA -1.233 60.181 61.300 0.191 0.000 1.056 64 I CB 1.362 39.390 38.000 0.048 0.000 1.229 64 I HN 0.445 nan 8.210 nan 0.000 0.429 65 A N 3.209 126.082 122.820 0.089 0.000 2.328 65 A HA 0.538 4.858 4.320 -0.000 0.000 0.284 65 A C 0.849 178.418 177.584 -0.024 0.000 1.160 65 A CA -0.128 51.928 52.037 0.032 0.000 0.818 65 A CB 0.387 19.388 19.000 0.001 0.000 1.087 65 A HN 0.859 nan 8.150 nan 0.000 0.504 66 T N -0.435 114.081 114.554 -0.064 0.000 3.044 66 T HA 0.272 4.622 4.350 -0.000 0.000 0.260 66 T C 0.433 175.075 174.700 -0.097 0.000 1.019 66 T CA -0.169 61.874 62.100 -0.096 0.000 0.921 66 T CB 0.051 68.829 68.868 -0.150 0.000 1.053 66 T HN 0.518 nan 8.240 nan 0.000 0.533 67 R N 0.361 120.799 120.500 -0.103 0.000 2.621 67 R HA 0.564 4.904 4.340 -0.000 0.000 0.292 67 R C 1.456 177.694 176.300 -0.102 0.000 0.969 67 R CA -0.343 55.691 56.100 -0.110 0.000 0.887 67 R CB 1.231 31.445 30.300 -0.143 0.000 1.180 67 R HN 0.216 nan 8.270 nan 0.000 0.450 68 G N 1.476 110.222 108.800 -0.090 0.000 2.545 68 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.222 68 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.222 68 G C 1.031 175.872 174.900 -0.098 0.000 1.126 68 G CA 1.049 46.098 45.100 -0.086 0.000 0.754 68 G HN 0.645 nan 8.290 nan 0.000 0.583 69 Q N -0.601 119.136 119.800 -0.105 0.000 2.046 69 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 69 Q C 2.529 178.474 176.000 -0.091 0.000 0.975 69 Q CA 1.018 56.763 55.803 -0.097 0.000 0.836 69 Q CB -0.161 28.510 28.738 -0.110 0.000 0.896 69 Q HN 0.400 nan 8.270 nan 0.000 0.428 70 L N 0.608 121.739 121.223 -0.153 0.000 2.027 70 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 70 L C 2.302 179.184 176.870 0.021 0.000 1.074 70 L CA 1.382 56.166 54.840 -0.093 0.000 0.745 70 L CB -0.559 41.368 42.059 -0.221 0.000 0.898 70 L HN 0.283 nan 8.230 nan 0.000 0.433 71 I N -0.873 119.657 120.570 -0.067 0.000 2.163 71 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 71 I C 2.702 178.782 176.117 -0.062 0.000 1.085 71 I CA 1.325 62.554 61.300 -0.118 0.000 1.347 71 I CB -0.329 37.649 38.000 -0.036 0.000 1.044 71 I HN 0.230 nan 8.210 nan 0.000 0.408 72 R N 0.445 120.911 120.500 -0.055 0.000 2.083 72 R HA -0.200 4.140 4.340 -0.000 0.000 0.237 72 R C 2.239 178.612 176.300 0.122 0.000 1.137 72 R CA 1.632 57.647 56.100 -0.140 0.000 0.951 72 R CB -0.365 29.696 30.300 -0.399 0.000 0.851 72 R HN 0.462 nan 8.270 nan 0.000 0.434 73 E N 0.261 120.543 120.200 0.136 0.000 2.051 73 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 73 E C 2.049 178.768 176.600 0.198 0.000 0.991 73 E CA 1.166 57.724 56.400 0.263 0.000 0.799 73 E CB -0.081 29.884 29.700 0.442 0.000 0.748 73 E HN 0.365 nan 8.360 nan 0.000 0.449 74 A N 0.327 123.112 122.820 -0.059 0.000 1.933 74 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 74 A C 1.773 179.208 177.584 -0.248 0.000 1.175 74 A CA 1.186 52.832 52.037 -0.651 0.000 0.628 74 A CB -0.698 17.603 19.000 -1.166 0.000 0.814 74 A HN 0.275 nan 8.150 nan 0.000 0.444 75 Y N 0.421 120.747 120.300 0.044 0.000 2.352 75 Y HA -0.119 4.432 4.550 0.000 0.000 0.292 75 Y C 2.392 178.450 175.900 0.262 0.000 1.136 75 Y CA 1.422 59.632 58.100 0.184 0.000 1.227 75 Y CB -0.245 38.363 38.460 0.247 0.000 0.991 75 Y HN 0.480 nan 8.280 nan 0.000 0.545 76 E N -0.780 119.668 120.200 0.413 0.000 2.122 76 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 76 E C 0.612 177.386 176.600 0.290 0.000 0.977 76 E CA 0.815 57.415 56.400 0.333 0.000 0.820 76 E CB -0.061 29.819 29.700 0.299 0.000 0.770 76 E HN 0.175 nan 8.360 nan 0.000 0.462 77 D N 0.706 121.264 120.400 0.263 0.000 2.982 77 D HA -0.072 4.568 4.640 -0.000 0.000 0.238 77 D C 0.780 177.161 176.300 0.134 0.000 1.168 77 D CA -0.145 53.964 54.000 0.180 0.000 0.947 77 D CB -0.468 40.478 40.800 0.244 0.000 1.147 77 D HN 0.258 nan 8.370 nan 0.000 0.450 78 Y N -0.605 119.782 120.300 0.145 0.000 2.465 78 Y HA -0.071 4.479 4.550 0.000 0.000 0.289 78 Y C 2.008 177.896 175.900 -0.020 0.000 1.150 78 Y CA 0.520 58.687 58.100 0.112 0.000 1.293 78 Y CB -0.491 38.045 38.460 0.126 0.000 0.977 78 Y HN -0.036 nan 8.280 nan 0.000 0.556 79 R N -0.125 120.047 120.500 -0.546 0.000 2.081 79 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 79 R C 1.642 177.551 176.300 -0.652 0.000 1.131 79 R CA 2.249 58.003 56.100 -0.576 0.000 0.960 79 R CB -0.448 29.405 30.300 -0.744 0.000 0.856 79 R HN 0.637 nan 8.270 nan 0.000 0.436 80 H N -2.628 116.173 119.070 -0.448 0.000 2.388 80 H HA 0.174 4.730 4.556 -0.000 0.000 0.304 80 H C -0.256 174.660 175.328 -0.687 0.000 1.049 80 H CA 0.592 56.178 56.048 -0.770 0.000 1.371 80 H CB 0.257 29.116 29.762 -1.506 0.000 1.436 80 H HN -0.023 nan 8.280 nan 0.000 0.544 81 F N 1.287 121.194 119.950 -0.072 0.000 2.334 81 F HA 0.288 4.816 4.527 0.000 0.000 0.365 81 F C 0.421 176.248 175.800 0.046 0.000 1.124 81 F CA -0.616 57.365 58.000 -0.032 0.000 1.166 81 F CB 0.944 39.893 39.000 -0.085 0.000 1.355 81 F HN -0.066 nan 8.300 nan 0.000 0.532 82 S N 1.225 117.029 115.700 0.175 0.000 2.554 82 S HA 0.268 4.738 4.470 -0.000 0.000 0.278 82 S C 1.034 175.717 174.600 0.138 0.000 1.242 82 S CA -0.558 57.734 58.200 0.154 0.000 1.051 82 S CB 1.201 64.457 63.200 0.094 0.000 0.986 82 S HN 0.517 nan 8.310 nan 0.000 0.502 83 S N 2.821 118.600 115.700 0.133 0.000 2.603 83 S HA 0.004 4.474 4.470 -0.000 0.000 0.220 83 S C 1.684 176.304 174.600 0.034 0.000 0.967 83 S CA 0.058 58.292 58.200 0.056 0.000 0.920 83 S CB -0.226 62.972 63.200 -0.004 0.000 0.773 83 S HN 0.854 nan 8.310 nan 0.000 0.529 84 E N 0.476 120.708 120.200 0.054 0.000 2.114 84 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 84 E C 0.323 176.925 176.600 0.003 0.000 1.008 84 E CA 0.954 57.377 56.400 0.039 0.000 0.810 84 E CB -0.013 29.712 29.700 0.042 0.000 0.739 84 E HN 0.425 nan 8.360 nan 0.000 0.456 85 C N 2.050 121.341 119.300 -0.016 0.000 3.002 85 C HA 0.421 4.881 4.460 -0.000 0.000 0.248 85 C C -2.006 172.941 174.990 -0.072 0.000 1.153 85 C CA -1.362 57.621 59.018 -0.059 0.000 1.502 85 C CB 0.944 28.676 27.740 -0.013 0.000 1.805 85 C HN 0.287 nan 8.230 nan 0.000 0.450 86 P HA 0.196 nan 4.420 nan 0.000 0.261 86 P C -0.153 177.190 177.300 0.072 0.000 1.268 86 P CA 0.316 63.358 63.100 -0.097 0.000 0.833 86 P CB 0.339 31.908 31.700 -0.219 0.000 1.231 87 F N 0.184 119.889 119.950 -0.409 0.000 2.532 87 F HA 0.458 4.985 4.527 -0.000 0.000 0.321 87 F C 0.648 176.302 175.800 -0.242 0.000 1.089 87 F CA -2.114 55.679 58.000 -0.345 0.000 0.926 87 F CB 1.368 40.068 39.000 -0.500 0.000 1.168 87 F HN -0.337 nan 8.300 nan 0.000 0.459 88 I N 5.491 126.026 120.570 -0.058 0.000 2.392 88 I HA 0.340 4.510 4.170 -0.000 0.000 0.295 88 I C -1.994 174.159 176.117 0.061 0.000 0.985 88 I CA -1.900 59.344 61.300 -0.093 0.000 1.221 88 I CB 1.863 39.644 38.000 -0.365 0.000 1.366 88 I HN 0.360 nan 8.210 nan 0.000 0.467 89 P HA 0.141 nan 4.420 nan 0.000 0.275 89 P C 0.277 177.567 177.300 -0.016 0.000 1.266 89 P CA -0.459 62.651 63.100 0.016 0.000 0.793 89 P CB 0.968 32.681 31.700 0.021 0.000 1.074 90 R N 0.505 121.004 120.500 -0.002 0.000 2.080 90 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 90 R C 1.872 178.155 176.300 -0.028 0.000 1.137 90 R CA 2.093 58.190 56.100 -0.005 0.000 0.943 90 R CB -0.530 29.786 30.300 0.027 0.000 0.846 90 R HN 0.372 nan 8.270 nan 0.000 0.431 91 E N 0.493 120.685 120.200 -0.014 0.000 2.147 91 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 91 E C 1.801 178.368 176.600 -0.054 0.000 1.005 91 E CA 1.710 58.105 56.400 -0.008 0.000 0.810 91 E CB -0.387 29.323 29.700 0.018 0.000 0.736 91 E HN 0.524 nan 8.360 nan 0.000 0.460 92 A N 0.583 123.328 122.820 -0.125 0.000 1.873 92 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 92 A C 2.507 179.744 177.584 -0.578 0.000 1.186 92 A CA 1.694 53.489 52.037 -0.403 0.000 0.616 92 A CB -1.198 17.611 19.000 -0.318 0.000 0.823 92 A HN 0.360 nan 8.150 nan 0.000 0.442 93 G N -0.599 108.025 108.800 -0.293 0.000 2.422 93 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 93 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 93 G C 1.404 176.177 174.900 -0.212 0.000 1.140 93 G CA 0.897 45.815 45.100 -0.303 0.000 0.775 93 G HN 0.652 nan 8.290 nan 0.000 0.545 94 E N 0.524 120.649 120.200 -0.125 0.000 2.047 94 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 94 E C 2.853 179.440 176.600 -0.022 0.000 0.987 94 E CA 0.858 57.229 56.400 -0.048 0.000 0.799 94 E CB -0.135 29.558 29.700 -0.011 0.000 0.752 94 E HN 0.405 nan 8.360 nan 0.000 0.449 95 A N 0.760 123.571 122.820 -0.014 0.000 2.067 95 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 95 A C 0.859 178.508 177.584 0.107 0.000 1.156 95 A CA 0.128 52.220 52.037 0.091 0.000 0.683 95 A CB -0.362 18.784 19.000 0.244 0.000 0.808 95 A HN 0.293 nan 8.150 nan 0.000 0.455 96 Y N 1.778 121.954 120.300 -0.207 0.000 2.411 96 Y HA 0.333 4.883 4.550 -0.000 0.000 0.333 96 Y C -0.233 175.480 175.900 -0.313 0.000 1.186 96 Y CA -0.193 57.684 58.100 -0.373 0.000 1.381 96 Y CB 0.705 38.663 38.460 -0.838 0.000 1.273 96 Y HN 0.379 nan 8.280 nan 0.000 0.546 97 D N 3.270 123.400 120.400 -0.449 0.000 2.914 97 D HA 0.087 4.727 4.640 -0.000 0.000 0.349 97 D C -1.160 175.038 176.300 -0.171 0.000 1.540 97 D CA -0.383 53.515 54.000 -0.171 0.000 0.778 97 D CB -1.207 39.580 40.800 -0.022 0.000 1.213 97 D HN 0.130 nan 8.370 nan 0.000 0.451 98 F N 0.982 120.600 119.950 -0.554 0.000 2.506 98 F HA 0.387 4.914 4.527 -0.000 0.000 0.351 98 F C 1.113 176.820 175.800 -0.154 0.000 1.136 98 F CA -0.920 56.846 58.000 -0.390 0.000 1.298 98 F CB 0.419 39.083 39.000 -0.560 0.000 1.145 98 F HN -0.076 nan 8.300 nan 0.000 0.593 99 I N 4.314 124.946 120.570 0.104 0.000 2.493 99 I HA 0.276 4.446 4.170 -0.000 0.000 0.298 99 I C -1.796 174.369 176.117 0.081 0.000 0.998 99 I CA -1.823 59.480 61.300 0.006 0.000 1.137 99 I CB 2.312 40.199 38.000 -0.188 0.000 1.310 99 I HN 0.348 nan 8.210 nan 0.000 0.445 100 P HA 0.050 nan 4.420 nan 0.000 0.261 100 P C 1.139 178.615 177.300 0.294 0.000 1.352 100 P CA 0.137 63.336 63.100 0.164 0.000 0.891 100 P CB -0.106 31.711 31.700 0.194 0.000 1.383 101 T N -2.621 112.093 114.554 0.266 0.000 2.833 101 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 101 T C 1.559 176.359 174.700 0.166 0.000 1.054 101 T CA 1.608 63.840 62.100 0.220 0.000 1.135 101 T CB -1.141 67.927 68.868 0.334 0.000 0.869 101 T HN 0.208 nan 8.240 nan 0.000 0.466 102 S N 0.250 116.089 115.700 0.233 0.000 2.622 102 S HA 0.506 4.976 4.470 -0.000 0.000 0.236 102 S C 0.170 174.836 174.600 0.110 0.000 0.956 102 S CA -0.815 57.487 58.200 0.171 0.000 0.971 102 S CB -0.698 62.627 63.200 0.209 0.000 0.782 102 S HN 0.488 nan 8.310 nan 0.000 0.468 103 M N 1.294 120.986 119.600 0.153 0.000 2.644 103 M HA 0.525 5.005 4.480 -0.000 0.000 0.304 103 M C -1.178 175.252 176.300 0.216 0.000 1.215 103 M CA -0.649 54.731 55.300 0.134 0.000 0.871 103 M CB 1.902 34.545 32.600 0.071 0.000 1.740 103 M HN 0.043 nan 8.290 nan 0.000 0.464 104 D N 1.209 121.681 120.400 0.120 0.000 2.326 104 D HA 0.511 5.151 4.640 -0.000 0.000 0.248 104 D C -2.538 173.690 176.300 -0.120 0.000 1.001 104 D CA -1.200 52.826 54.000 0.043 0.000 0.961 104 D CB 1.353 42.224 40.800 0.118 0.000 1.183 104 D HN 0.165 nan 8.370 nan 0.000 0.502 105 P HA 0.131 nan 4.420 nan 0.000 0.271 105 P C -1.831 175.348 177.300 -0.201 0.000 1.218 105 P CA -0.885 61.981 63.100 -0.390 0.000 0.780 105 P CB 0.219 31.505 31.700 -0.690 0.000 0.901 106 P HA 0.033 nan 4.420 nan 0.000 0.251 106 P C 1.167 178.464 177.300 -0.005 0.000 1.223 106 P CA 0.600 63.670 63.100 -0.049 0.000 0.796 106 P CB 0.346 32.042 31.700 -0.007 0.000 1.068 107 E N 0.617 120.838 120.200 0.035 0.000 2.077 107 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 107 E C 2.171 178.889 176.600 0.197 0.000 0.989 107 E CA 0.827 57.301 56.400 0.124 0.000 0.800 107 E CB -0.207 29.566 29.700 0.122 0.000 0.746 107 E HN 0.078 nan 8.360 nan 0.000 0.452 108 Q N 1.200 121.059 119.800 0.098 0.000 2.062 108 Q HA -0.305 4.035 4.340 -0.000 0.000 0.209 108 Q C 2.293 178.351 176.000 0.097 0.000 0.996 108 Q CA 2.159 58.015 55.803 0.089 0.000 0.859 108 Q CB -0.357 28.332 28.738 -0.082 0.000 0.920 108 Q HN 0.252 nan 8.270 nan 0.000 0.415 109 R N -0.280 120.223 120.500 0.004 0.000 2.113 109 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 109 R C 2.356 178.647 176.300 -0.016 0.000 1.142 109 R CA 2.046 58.130 56.100 -0.027 0.000 0.953 109 R CB -0.162 30.108 30.300 -0.050 0.000 0.860 109 R HN 0.359 nan 8.270 nan 0.000 0.438 110 Q N -0.345 119.432 119.800 -0.038 0.000 2.020 110 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 110 Q C 2.145 178.028 176.000 -0.194 0.000 0.982 110 Q CA 1.880 57.582 55.803 -0.169 0.000 0.838 110 Q CB -0.331 28.215 28.738 -0.320 0.000 0.899 110 Q HN 0.385 nan 8.270 nan 0.000 0.423 111 F N 0.564 120.509 119.950 -0.007 0.000 2.216 111 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 111 F C 2.634 178.437 175.800 0.005 0.000 1.085 111 F CA 1.177 59.181 58.000 0.006 0.000 1.326 111 F CB -0.333 38.681 39.000 0.023 0.000 1.027 111 F HN 0.073 nan 8.300 nan 0.000 0.497 112 R N 0.709 121.302 120.500 0.154 0.000 2.070 112 R HA -0.164 4.176 4.340 -0.000 0.000 0.233 112 R C 2.442 178.764 176.300 0.036 0.000 1.137 112 R CA 1.438 57.584 56.100 0.076 0.000 0.945 112 R CB -0.615 29.696 30.300 0.019 0.000 0.845 112 R HN 0.225 nan 8.270 nan 0.000 0.430 113 A N 1.077 123.898 122.820 0.002 0.000 1.917 113 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 113 A C 2.062 179.639 177.584 -0.013 0.000 1.182 113 A CA 1.604 53.630 52.037 -0.019 0.000 0.633 113 A CB -0.668 18.302 19.000 -0.049 0.000 0.819 113 A HN 0.428 nan 8.150 nan 0.000 0.448 114 L N -0.549 120.668 121.223 -0.010 0.000 2.056 114 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 114 L C 2.685 179.571 176.870 0.027 0.000 1.078 114 L CA 2.090 56.930 54.840 0.001 0.000 0.749 114 L CB -0.746 41.310 42.059 -0.005 0.000 0.901 114 L HN 0.326 nan 8.230 nan 0.000 0.433 115 A N -0.360 122.492 122.820 0.054 0.000 1.940 115 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 115 A C 2.175 179.786 177.584 0.044 0.000 1.176 115 A CA 1.950 54.024 52.037 0.061 0.000 0.631 115 A CB -1.034 18.015 19.000 0.080 0.000 0.814 115 A HN 0.622 nan 8.150 nan 0.000 0.446 116 N N -0.300 118.420 118.700 0.033 0.000 2.166 116 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 116 N C 1.865 177.382 175.510 0.012 0.000 1.019 116 N CA 1.840 54.905 53.050 0.024 0.000 0.856 116 N CB -0.333 38.162 38.487 0.014 0.000 0.993 116 N HN 0.643 nan 8.380 nan 0.000 0.426 117 Q N -0.423 119.380 119.800 0.005 0.000 2.096 117 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 117 Q C 2.095 178.095 176.000 -0.000 0.000 0.982 117 Q CA 2.018 57.818 55.803 -0.004 0.000 0.850 117 Q CB -0.171 28.562 28.738 -0.009 0.000 0.901 117 Q HN 0.514 nan 8.270 nan 0.000 0.422 118 V N -2.064 117.857 119.914 0.011 0.000 2.453 118 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 118 V C 1.908 178.015 176.094 0.022 0.000 1.048 118 V CA 1.525 63.833 62.300 0.013 0.000 1.049 118 V CB -0.480 31.354 31.823 0.018 0.000 0.672 118 V HN 0.316 nan 8.190 nan 0.000 0.457 119 V N -2.038 117.898 119.914 0.036 0.000 3.604 119 V HA 0.621 4.741 4.120 -0.000 0.000 0.277 119 V C 1.556 177.681 176.094 0.052 0.000 1.399 119 V CA 0.223 62.553 62.300 0.050 0.000 1.034 119 V CB -0.894 30.970 31.823 0.068 0.000 0.824 119 V HN 0.567 nan 8.190 nan 0.000 0.439 120 G N 0.299 109.122 108.800 0.039 0.000 2.597 120 G HA2 0.119 4.079 3.960 -0.000 0.000 0.283 120 G HA3 0.119 4.079 3.960 -0.000 0.000 0.283 120 G C 0.789 175.680 174.900 -0.015 0.000 1.319 120 G CA 0.491 45.609 45.100 0.030 0.000 1.054 120 G HN 0.242 nan 8.290 nan 0.000 0.583 121 M N 0.438 119.952 119.600 -0.144 0.000 2.110 121 M HA -0.139 4.341 4.480 -0.000 0.000 0.257 121 M C 0.155 176.401 176.300 -0.089 0.000 1.071 121 M CA 2.559 57.739 55.300 -0.200 0.000 1.096 121 M CB -1.285 31.123 32.600 -0.321 0.000 1.300 121 M HN 0.295 nan 8.290 nan 0.000 0.411 122 P HA -0.146 nan 4.420 nan 0.000 0.217 122 P C 1.583 178.865 177.300 -0.029 0.000 1.151 122 P CA 1.322 64.394 63.100 -0.047 0.000 0.849 122 P CB -0.120 31.554 31.700 -0.042 0.000 0.787 123 V N -0.719 119.182 119.914 -0.023 0.000 2.307 123 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 123 V C 2.428 178.518 176.094 -0.006 0.000 1.045 123 V CA 1.758 64.049 62.300 -0.014 0.000 1.024 123 V CB -1.205 30.613 31.823 -0.008 0.000 0.651 123 V HN -0.028 nan 8.190 nan 0.000 0.449 124 V N 0.167 120.082 119.914 0.001 0.000 2.295 124 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 124 V C 2.304 178.405 176.094 0.011 0.000 1.049 124 V CA 2.141 64.451 62.300 0.016 0.000 1.024 124 V CB -0.820 31.025 31.823 0.036 0.000 0.648 124 V HN 0.521 nan 8.190 nan 0.000 0.447 125 D N -0.034 120.364 120.400 -0.003 0.000 2.158 125 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 125 D C 2.160 178.460 176.300 0.000 0.000 0.995 125 D CA 1.469 55.466 54.000 -0.004 0.000 0.846 125 D CB -0.191 40.598 40.800 -0.018 0.000 0.941 125 D HN 0.431 nan 8.370 nan 0.000 0.456 126 K N 0.082 120.480 120.400 -0.004 0.000 2.167 126 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 126 K C 1.794 178.394 176.600 0.001 0.000 1.052 126 K CA 0.304 56.588 56.287 -0.004 0.000 0.956 126 K CB 0.170 32.663 32.500 -0.011 0.000 0.735 126 K HN 0.142 nan 8.250 nan 0.000 0.451 127 L N 0.417 121.643 121.223 0.005 0.000 2.607 127 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 127 L C 1.963 178.850 176.870 0.027 0.000 1.123 127 L CA 0.008 54.853 54.840 0.008 0.000 0.890 127 L CB 0.042 42.099 42.059 -0.003 0.000 1.103 127 L HN 0.229 nan 8.230 nan 0.000 0.468 128 E N 1.205 121.425 120.200 0.033 0.000 2.070 128 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 128 E C 1.466 178.103 176.600 0.062 0.000 1.004 128 E CA 1.842 58.273 56.400 0.052 0.000 0.805 128 E CB 0.039 29.767 29.700 0.047 0.000 0.744 128 E HN 0.633 nan 8.360 nan 0.000 0.451 129 N N -0.373 118.354 118.700 0.045 0.000 2.244 129 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 129 N C 1.792 177.335 175.510 0.055 0.000 1.016 129 N CA 0.497 53.574 53.050 0.046 0.000 0.866 129 N CB 0.087 38.592 38.487 0.030 0.000 0.980 129 N HN 0.018 nan 8.380 nan 0.000 0.430 130 R N 0.982 121.511 120.500 0.048 0.000 2.090 130 R HA 0.043 4.383 4.340 -0.000 0.000 0.228 130 R C 2.073 178.431 176.300 0.097 0.000 1.110 130 R CA 0.590 56.722 56.100 0.054 0.000 0.973 130 R CB -0.871 29.445 30.300 0.027 0.000 0.869 130 R HN 0.363 nan 8.270 nan 0.000 0.440 131 I N 1.202 121.837 120.570 0.108 0.000 2.163 131 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 131 I C 2.683 178.978 176.117 0.297 0.000 1.085 131 I CA 1.603 63.027 61.300 0.207 0.000 1.347 131 I CB -0.311 37.795 38.000 0.177 0.000 1.044 131 I HN 0.119 nan 8.210 nan 0.000 0.408 132 Q N 1.204 121.115 119.800 0.186 0.000 2.119 132 Q HA -0.255 4.085 4.340 -0.000 0.000 0.201 132 Q C 2.014 178.083 176.000 0.115 0.000 0.972 132 Q CA 1.890 57.775 55.803 0.137 0.000 0.847 132 Q CB -0.227 28.568 28.738 0.095 0.000 0.903 132 Q HN 0.488 nan 8.270 nan 0.000 0.433 133 E N -0.641 119.623 120.200 0.106 0.000 2.031 133 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 133 E C 1.862 178.528 176.600 0.110 0.000 0.994 133 E CA 1.314 57.765 56.400 0.086 0.000 0.800 133 E CB -0.226 29.514 29.700 0.067 0.000 0.752 133 E HN 0.422 nan 8.360 nan 0.000 0.447 134 L N 0.934 122.255 121.223 0.163 0.000 2.046 134 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 134 L C 2.244 179.253 176.870 0.232 0.000 1.077 134 L CA 2.177 57.138 54.840 0.202 0.000 0.747 134 L CB -0.781 41.417 42.059 0.231 0.000 0.896 134 L HN 0.185 nan 8.230 nan 0.000 0.432 135 A N -1.048 121.915 122.820 0.239 0.000 1.858 135 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 135 A C 2.408 180.034 177.584 0.070 0.000 1.190 135 A CA 1.923 53.980 52.037 0.034 0.000 0.617 135 A CB -1.517 17.419 19.000 -0.106 0.000 0.827 135 A HN 0.628 nan 8.150 nan 0.000 0.443 136 C N -0.943 118.385 119.300 0.046 0.000 2.413 136 C HA -0.099 4.361 4.460 -0.000 0.000 0.276 136 C C 3.340 178.338 174.990 0.014 0.000 1.236 136 C CA 1.454 60.475 59.018 0.006 0.000 1.735 136 C CB -1.300 26.446 27.740 0.010 0.000 2.031 136 C HN 0.721 nan 8.230 nan 0.000 0.474 137 S N 0.291 116.019 115.700 0.047 0.000 2.359 137 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 137 S C 1.782 176.417 174.600 0.058 0.000 1.035 137 S CA 1.457 59.684 58.200 0.046 0.000 1.018 137 S CB -0.355 62.878 63.200 0.056 0.000 0.876 137 S HN 0.407 nan 8.310 nan 0.000 0.448 138 L N 1.295 122.582 121.223 0.107 0.000 2.046 138 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 138 L C 2.213 179.159 176.870 0.127 0.000 1.077 138 L CA 1.593 56.528 54.840 0.159 0.000 0.747 138 L CB -0.763 41.440 42.059 0.239 0.000 0.896 138 L HN 0.425 nan 8.230 nan 0.000 0.432 139 I N -1.216 119.379 120.570 0.042 0.000 2.233 139 I HA -0.223 3.947 4.170 -0.000 0.000 0.243 139 I C 2.423 178.418 176.117 -0.203 0.000 1.093 139 I CA 0.946 62.129 61.300 -0.195 0.000 1.380 139 I CB -0.236 37.563 38.000 -0.334 0.000 1.067 139 I HN 0.209 nan 8.210 nan 0.000 0.413 140 E N 0.686 120.817 120.200 -0.115 0.000 2.110 140 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 140 E C 2.244 178.820 176.600 -0.040 0.000 0.988 140 E CA 1.662 58.009 56.400 -0.088 0.000 0.804 140 E CB -0.257 29.412 29.700 -0.051 0.000 0.745 140 E HN 0.289 nan 8.360 nan 0.000 0.458 141 S N -1.057 114.638 115.700 -0.007 0.000 2.402 141 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 141 S C 1.843 176.472 174.600 0.048 0.000 1.021 141 S CA 0.932 59.148 58.200 0.026 0.000 0.974 141 S CB -0.157 63.068 63.200 0.043 0.000 0.800 141 S HN 0.342 nan 8.310 nan 0.000 0.484 142 L N 0.673 121.925 121.223 0.047 0.000 2.127 142 L HA 0.125 4.464 4.340 -0.000 0.000 0.203 142 L C 2.775 179.775 176.870 0.217 0.000 1.080 142 L CA 0.906 55.829 54.840 0.139 0.000 0.768 142 L CB -0.616 41.534 42.059 0.152 0.000 0.924 142 L HN 0.284 nan 8.230 nan 0.000 0.444 143 R N 0.812 121.338 120.500 0.043 0.000 2.191 143 R HA -0.232 4.108 4.340 -0.000 0.000 0.248 143 R C -0.615 175.862 176.300 0.295 0.000 1.127 143 R CA 2.700 58.848 56.100 0.080 0.000 0.943 143 R CB -1.447 28.777 30.300 -0.126 0.000 0.891 143 R HN 0.253 nan 8.270 nan 0.000 0.439 144 P HA -0.092 nan 4.420 nan 0.000 0.230 144 P C 0.463 177.793 177.300 0.051 0.000 1.158 144 P CA 1.264 64.422 63.100 0.097 0.000 0.769 144 P CB -0.035 31.691 31.700 0.044 0.000 0.807 145 Q N -0.641 119.188 119.800 0.049 0.000 2.311 145 Q HA 0.092 4.432 4.340 -0.000 0.000 0.203 145 Q C 1.597 177.405 176.000 -0.321 0.000 0.954 145 Q CA 0.855 56.609 55.803 -0.080 0.000 0.885 145 Q CB -0.541 28.177 28.738 -0.034 0.000 0.963 145 Q HN 0.246 nan 8.270 nan 0.000 0.471 146 G N 1.677 110.098 108.800 -0.632 0.000 2.166 146 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 146 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 146 G C -0.068 173.845 174.900 -1.644 0.000 0.986 146 G CA 0.860 45.093 45.100 -1.446 0.000 0.683 146 G HN 0.451 nan 8.290 nan 0.000 0.527 147 Q N -1.282 117.735 119.800 -1.305 0.000 2.430 147 Q HA 0.528 4.868 4.340 -0.000 0.000 0.253 147 Q C -0.163 175.736 176.000 -0.168 0.000 0.945 147 Q CA -0.557 54.856 55.803 -0.650 0.000 0.964 147 Q CB 0.782 29.324 28.738 -0.327 0.000 1.460 147 Q HN 1.012 nan 8.270 nan 0.000 0.428 148 C N 0.114 119.502 119.300 0.147 0.000 3.277 148 C HA 0.682 5.142 4.460 -0.000 0.000 0.367 148 C C -0.103 175.014 174.990 0.212 0.000 1.949 148 C CA -0.674 58.491 59.018 0.245 0.000 1.428 148 C CB 1.100 29.087 27.740 0.413 0.000 2.409 148 C HN 1.071 nan 8.230 nan 0.000 0.460 149 N N -0.441 118.379 118.700 0.200 0.000 2.914 149 N HA 0.221 4.961 4.740 -0.000 0.000 0.304 149 N C 0.383 176.019 175.510 0.209 0.000 1.727 149 N CA -0.365 52.787 53.050 0.169 0.000 0.986 149 N CB 0.033 38.584 38.487 0.106 0.000 1.297 149 N HN 0.667 nan 8.380 nan 0.000 0.490 150 F N 1.270 121.290 119.950 0.116 0.000 2.135 150 F HA -0.381 4.146 4.527 -0.000 0.000 0.300 150 F C 2.520 178.361 175.800 0.069 0.000 1.074 150 F CA 2.455 60.505 58.000 0.083 0.000 1.262 150 F CB -0.213 38.756 39.000 -0.052 0.000 1.013 150 F HN 0.358 nan 8.300 nan 0.000 0.489 151 T N -1.493 113.171 114.554 0.183 0.000 2.643 151 T HA -0.272 4.078 4.350 -0.000 0.000 0.264 151 T C 1.799 176.490 174.700 -0.015 0.000 1.045 151 T CA 1.479 63.621 62.100 0.070 0.000 1.155 151 T CB -0.947 67.953 68.868 0.054 0.000 0.863 151 T HN 0.683 nan 8.240 nan 0.000 0.420 152 E N 1.365 121.573 120.200 0.014 0.000 2.076 152 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 152 E C 1.709 178.301 176.600 -0.012 0.000 0.979 152 E CA 1.235 57.635 56.400 0.000 0.000 0.807 152 E CB -0.414 29.298 29.700 0.020 0.000 0.761 152 E HN 0.438 nan 8.360 nan 0.000 0.454 153 D N -0.560 119.848 120.400 0.013 0.000 2.219 153 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 153 D C 1.087 177.392 176.300 0.008 0.000 0.970 153 D CA 1.212 55.239 54.000 0.045 0.000 0.851 153 D CB 0.033 40.911 40.800 0.129 0.000 0.943 153 D HN 0.355 nan 8.370 nan 0.000 0.488 154 Y N -0.571 119.537 120.300 -0.320 0.000 2.856 154 Y HA 0.369 4.918 4.550 -0.000 0.000 0.252 154 Y C 1.948 177.612 175.900 -0.394 0.000 1.145 154 Y CA 0.511 58.361 58.100 -0.416 0.000 1.204 154 Y CB -0.169 37.863 38.460 -0.714 0.000 1.403 154 Y HN -0.141 nan 8.280 nan 0.000 0.462 155 A N 0.924 123.439 122.820 -0.509 0.000 1.940 155 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 155 A C 1.824 179.336 177.584 -0.119 0.000 1.176 155 A CA 2.200 54.117 52.037 -0.200 0.000 0.631 155 A CB -0.554 18.437 19.000 -0.016 0.000 0.814 155 A HN 0.671 nan 8.150 nan 0.000 0.446 156 E N -0.581 119.542 120.200 -0.128 0.000 2.016 156 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 156 E C -0.543 175.993 176.600 -0.107 0.000 0.985 156 E CA 1.054 57.400 56.400 -0.090 0.000 0.802 156 E CB -0.728 28.938 29.700 -0.056 0.000 0.762 156 E HN 0.461 nan 8.360 nan 0.000 0.448 157 P HA -0.187 nan 4.420 nan 0.000 0.215 157 P C 1.356 178.578 177.300 -0.130 0.000 1.157 157 P CA 1.077 64.115 63.100 -0.103 0.000 0.863 157 P CB -0.165 31.485 31.700 -0.083 0.000 0.787 158 F N 2.342 122.057 119.950 -0.391 0.000 2.008 158 F HA -0.164 4.363 4.527 -0.000 0.000 0.297 158 F C -0.869 174.819 175.800 -0.186 0.000 1.156 158 F CA 2.231 59.984 58.000 -0.413 0.000 1.191 158 F CB -2.129 36.337 39.000 -0.889 0.000 0.955 158 F HN -0.025 nan 8.300 nan 0.000 0.497 159 P HA -0.156 nan 4.420 nan 0.000 0.215 159 P C 2.122 179.287 177.300 -0.225 0.000 1.153 159 P CA 2.223 65.061 63.100 -0.437 0.000 0.853 159 P CB -0.107 31.486 31.700 -0.179 0.000 0.788 160 I N -1.048 119.440 120.570 -0.137 0.000 2.202 160 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 160 I C 2.481 178.597 176.117 -0.001 0.000 1.091 160 I CA 1.381 62.662 61.300 -0.032 0.000 1.368 160 I CB -0.413 37.566 38.000 -0.034 0.000 1.058 160 I HN -0.142 nan 8.210 nan 0.000 0.410 161 R N 0.581 121.043 120.500 -0.063 0.000 2.115 161 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 161 R C 2.239 178.496 176.300 -0.072 0.000 1.111 161 R CA 1.221 57.292 56.100 -0.049 0.000 0.976 161 R CB -0.272 30.003 30.300 -0.042 0.000 0.870 161 R HN 0.369 nan 8.270 nan 0.000 0.445 162 I N -0.234 120.257 120.570 -0.133 0.000 2.439 162 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 162 I C 2.039 178.117 176.117 -0.066 0.000 1.139 162 I CA 0.895 62.119 61.300 -0.127 0.000 1.438 162 I CB -0.166 37.693 38.000 -0.235 0.000 1.085 162 I HN 0.050 nan 8.210 nan 0.000 0.427 163 F N 1.393 121.265 119.950 -0.130 0.000 2.128 163 F HA -0.201 4.326 4.527 -0.000 0.000 0.295 163 F C 2.470 178.236 175.800 -0.058 0.000 1.100 163 F CA 1.568 59.516 58.000 -0.088 0.000 1.260 163 F CB -0.093 38.856 39.000 -0.086 0.000 1.009 163 F HN -0.115 nan 8.300 nan 0.000 0.476 164 M N -0.115 119.427 119.600 -0.097 0.000 2.159 164 M HA -0.158 4.322 4.480 -0.000 0.000 0.263 164 M C 2.286 178.478 176.300 -0.181 0.000 1.063 164 M CA 1.285 56.507 55.300 -0.130 0.000 1.110 164 M CB -1.508 31.095 32.600 0.005 0.000 1.374 164 M HN 0.389 nan 8.290 nan 0.000 0.411 165 L N 0.894 122.030 121.223 -0.144 0.000 2.012 165 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 165 L C 2.309 179.078 176.870 -0.168 0.000 1.073 165 L CA 1.596 56.364 54.840 -0.120 0.000 0.748 165 L CB -0.900 41.108 42.059 -0.085 0.000 0.891 165 L HN 0.220 nan 8.230 nan 0.000 0.431 166 L N -0.316 120.760 121.223 -0.243 0.000 2.056 166 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 166 L C 2.326 179.004 176.870 -0.320 0.000 1.078 166 L CA 1.954 56.639 54.840 -0.260 0.000 0.749 166 L CB -0.715 41.174 42.059 -0.284 0.000 0.901 166 L HN 0.286 nan 8.230 nan 0.000 0.433 167 A N -0.992 121.531 122.820 -0.495 0.000 2.132 167 A HA 0.351 4.671 4.320 -0.000 0.000 0.213 167 A C 1.569 179.033 177.584 -0.199 0.000 1.154 167 A CA 0.562 52.346 52.037 -0.421 0.000 0.753 167 A CB -0.778 17.853 19.000 -0.615 0.000 0.826 167 A HN 0.810 nan 8.150 nan 0.000 0.469 168 G N -0.582 108.116 108.800 -0.169 0.000 2.326 168 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.286 168 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.286 168 G C -0.267 174.604 174.900 -0.049 0.000 1.096 168 G CA 0.451 45.497 45.100 -0.090 0.000 1.003 168 G HN 0.504 nan 8.290 nan 0.000 0.503 169 L N 0.313 121.513 121.223 -0.039 0.000 2.341 169 L HA 0.645 4.985 4.340 -0.000 0.000 0.267 169 L C -1.749 175.147 176.870 0.044 0.000 1.009 169 L CA -2.643 52.223 54.840 0.043 0.000 0.819 169 L CB 2.260 44.391 42.059 0.121 0.000 1.323 169 L HN -0.004 nan 8.230 nan 0.000 0.425 170 P HA 0.085 nan 4.420 nan 0.000 0.271 170 P C -0.180 177.156 177.300 0.060 0.000 1.216 170 P CA -0.139 62.995 63.100 0.058 0.000 0.771 170 P CB 0.915 32.655 31.700 0.066 0.000 0.864 171 E N 1.595 121.817 120.200 0.038 0.000 2.204 171 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 171 E C 1.148 177.772 176.600 0.041 0.000 0.990 171 E CA 1.233 57.653 56.400 0.033 0.000 0.821 171 E CB -0.005 29.707 29.700 0.020 0.000 0.750 171 E HN 0.547 nan 8.360 nan 0.000 0.477 172 E N 0.937 121.166 120.200 0.047 0.000 2.204 172 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 172 E C 1.315 177.958 176.600 0.071 0.000 0.990 172 E CA 0.942 57.371 56.400 0.050 0.000 0.821 172 E CB -0.068 29.659 29.700 0.045 0.000 0.750 172 E HN 0.197 nan 8.360 nan 0.000 0.477 173 D N -0.107 120.350 120.400 0.096 0.000 2.347 173 D HA -0.013 4.627 4.640 -0.000 0.000 0.215 173 D C 1.700 178.042 176.300 0.070 0.000 0.976 173 D CA 0.266 54.341 54.000 0.125 0.000 0.884 173 D CB -0.045 40.882 40.800 0.211 0.000 0.915 173 D HN 0.235 nan 8.370 nan 0.000 0.526 174 I N 1.616 122.214 120.570 0.047 0.000 2.087 174 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 174 I C -0.553 175.578 176.117 0.023 0.000 1.054 174 I CA 1.433 62.745 61.300 0.020 0.000 1.311 174 I CB -1.599 36.413 38.000 0.019 0.000 1.024 174 I HN 0.040 nan 8.210 nan 0.000 0.402 175 P HA -0.206 nan 4.420 nan 0.000 0.215 175 P C 1.465 178.820 177.300 0.091 0.000 1.153 175 P CA 1.752 64.888 63.100 0.061 0.000 0.853 175 P CB -0.117 31.615 31.700 0.054 0.000 0.788 176 H N -0.457 118.618 119.070 0.007 0.000 2.307 176 H HA 0.003 4.559 4.556 -0.000 0.000 0.303 176 H C 1.927 177.255 175.328 0.001 0.000 1.073 176 H CA 1.375 57.431 56.048 0.014 0.000 1.338 176 H CB -1.053 28.712 29.762 0.005 0.000 1.389 176 H HN -0.080 nan 8.280 nan 0.000 0.503 177 L N -0.048 121.041 121.223 -0.223 0.000 2.012 177 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 177 L C 2.543 179.293 176.870 -0.201 0.000 1.073 177 L CA 1.797 56.446 54.840 -0.319 0.000 0.748 177 L CB -0.396 41.490 42.059 -0.288 0.000 0.891 177 L HN 0.231 nan 8.230 nan 0.000 0.431 178 K N -0.274 120.066 120.400 -0.100 0.000 2.057 178 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 178 K C 2.084 178.661 176.600 -0.038 0.000 1.049 178 K CA 1.611 57.862 56.287 -0.060 0.000 0.931 178 K CB -0.682 31.806 32.500 -0.020 0.000 0.714 178 K HN 0.226 nan 8.250 nan 0.000 0.440 179 Y N 0.746 120.982 120.300 -0.107 0.000 2.128 179 Y HA -0.192 4.358 4.550 0.000 0.000 0.284 179 Y C 1.642 177.475 175.900 -0.112 0.000 1.154 179 Y CA 1.952 60.001 58.100 -0.086 0.000 1.149 179 Y CB -0.200 38.224 38.460 -0.061 0.000 0.976 179 Y HN 0.031 nan 8.280 nan 0.000 0.505 180 L N -0.978 120.137 121.223 -0.179 0.000 2.083 180 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 180 L C 2.364 179.083 176.870 -0.251 0.000 1.083 180 L CA 1.837 56.519 54.840 -0.263 0.000 0.752 180 L CB -0.867 41.041 42.059 -0.251 0.000 0.899 180 L HN 0.236 nan 8.230 nan 0.000 0.433 181 T N -1.015 113.423 114.554 -0.192 0.000 2.777 181 T HA -0.165 4.184 4.350 -0.000 0.000 0.266 181 T C 1.401 176.052 174.700 -0.081 0.000 1.040 181 T CA 1.451 63.479 62.100 -0.121 0.000 1.141 181 T CB -0.191 68.607 68.868 -0.117 0.000 0.868 181 T HN 0.281 nan 8.240 nan 0.000 0.444 182 D N 0.930 121.255 120.400 -0.125 0.000 2.149 182 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 182 D C 2.453 178.685 176.300 -0.113 0.000 0.990 182 D CA 0.823 54.763 54.000 -0.101 0.000 0.839 182 D CB -0.187 40.542 40.800 -0.118 0.000 0.948 182 D HN 0.236 nan 8.370 nan 0.000 0.460 183 Q N -0.512 119.141 119.800 -0.245 0.000 2.170 183 Q HA -0.040 4.300 4.340 -0.000 0.000 0.203 183 Q C 2.231 178.209 176.000 -0.037 0.000 0.976 183 Q CA 0.745 56.414 55.803 -0.224 0.000 0.858 183 Q CB -0.220 28.299 28.738 -0.365 0.000 0.907 183 Q HN 0.447 nan 8.270 nan 0.000 0.433 184 M N -0.111 119.496 119.600 0.011 0.000 2.156 184 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 184 M C 2.162 178.705 176.300 0.405 0.000 1.067 184 M CA 1.976 57.431 55.300 0.257 0.000 1.131 184 M CB -0.196 32.554 32.600 0.250 0.000 1.368 184 M HN 0.274 nan 8.290 nan 0.000 0.416 185 T N -2.234 112.471 114.554 0.252 0.000 3.010 185 T HA 0.107 4.457 4.350 -0.000 0.000 0.252 185 T C 1.099 175.934 174.700 0.226 0.000 1.047 185 T CA 0.166 62.398 62.100 0.220 0.000 1.140 185 T CB -0.026 68.931 68.868 0.148 0.000 0.885 185 T HN 0.266 nan 8.240 nan 0.000 0.464 186 R N 2.083 122.684 120.500 0.169 0.000 2.748 186 R HA 0.338 4.678 4.340 -0.000 0.000 0.283 186 R C -2.999 173.352 176.300 0.085 0.000 1.507 186 R CA -1.912 54.293 56.100 0.174 0.000 1.666 186 R CB 0.774 31.153 30.300 0.131 0.000 1.237 186 R HN 0.299 nan 8.270 nan 0.000 0.633 187 P HA -0.124 nan 4.420 nan 0.000 0.260 187 P C 0.093 177.363 177.300 -0.050 0.000 1.172 187 P CA 0.483 63.556 63.100 -0.045 0.000 0.760 187 P CB 0.744 32.367 31.700 -0.129 0.000 0.773 188 D N 2.737 123.110 120.400 -0.046 0.000 2.162 188 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 188 D C 1.539 177.834 176.300 -0.008 0.000 0.964 188 D CA 1.873 55.867 54.000 -0.011 0.000 0.847 188 D CB 0.015 40.819 40.800 0.006 0.000 0.988 188 D HN 0.548 nan 8.370 nan 0.000 0.480 189 G N -0.548 108.242 108.800 -0.018 0.000 2.296 189 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.188 189 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.188 189 G C 1.156 176.063 174.900 0.012 0.000 1.000 189 G CA 0.876 45.968 45.100 -0.013 0.000 0.672 189 G HN 0.397 nan 8.290 nan 0.000 0.483 190 S N -0.109 115.612 115.700 0.036 0.000 2.461 190 S HA 0.432 4.902 4.470 -0.000 0.000 0.228 190 S C 1.043 175.686 174.600 0.071 0.000 1.005 190 S CA 1.345 59.591 58.200 0.076 0.000 0.942 190 S CB -0.246 63.048 63.200 0.157 0.000 0.776 190 S HN 1.589 nan 8.310 nan 0.000 0.514 191 M N 0.551 120.173 119.600 0.036 0.000 2.414 191 M HA 0.500 4.980 4.480 -0.000 0.000 0.287 191 M C -0.627 175.672 176.300 -0.002 0.000 1.181 191 M CA -0.817 54.497 55.300 0.023 0.000 0.933 191 M CB 1.640 34.264 32.600 0.040 0.000 1.732 191 M HN 0.049 nan 8.290 nan 0.000 0.486 192 T N -0.726 113.835 114.554 0.011 0.000 2.788 192 T HA 0.315 4.665 4.350 -0.000 0.000 0.287 192 T C 0.540 175.268 174.700 0.047 0.000 1.007 192 T CA -0.194 61.927 62.100 0.035 0.000 1.005 192 T CB 0.820 69.714 68.868 0.043 0.000 1.012 192 T HN 0.667 nan 8.240 nan 0.000 0.530 193 F N 1.324 121.254 119.950 -0.033 0.000 2.102 193 F HA 0.064 4.591 4.527 0.000 0.000 0.298 193 F C 2.632 178.394 175.800 -0.062 0.000 1.105 193 F CA 1.925 59.904 58.000 -0.035 0.000 1.239 193 F CB -0.906 38.088 39.000 -0.010 0.000 0.991 193 F HN 0.748 nan 8.300 nan 0.000 0.474 194 A N 0.209 123.086 122.820 0.095 0.000 1.902 194 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 194 A C 2.135 179.670 177.584 -0.082 0.000 1.181 194 A CA 1.723 53.762 52.037 0.004 0.000 0.623 194 A CB -0.758 18.280 19.000 0.062 0.000 0.818 194 A HN 0.487 nan 8.150 nan 0.000 0.443 195 E N 0.210 120.381 120.200 -0.049 0.000 2.051 195 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 195 E C 2.360 178.898 176.600 -0.103 0.000 0.991 195 E CA 1.273 57.648 56.400 -0.041 0.000 0.799 195 E CB -0.664 29.031 29.700 -0.008 0.000 0.748 195 E HN 0.582 nan 8.360 nan 0.000 0.449 196 A N 2.067 124.778 122.820 -0.181 0.000 1.877 196 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 196 A C 2.188 179.563 177.584 -0.348 0.000 1.186 196 A CA 1.914 53.798 52.037 -0.255 0.000 0.620 196 A CB -0.514 18.293 19.000 -0.322 0.000 0.822 196 A HN 0.153 nan 8.150 nan 0.000 0.443 197 K N -0.655 119.427 120.400 -0.529 0.000 2.063 197 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 197 K C 1.876 178.209 176.600 -0.444 0.000 1.048 197 K CA 1.592 57.497 56.287 -0.636 0.000 0.928 197 K CB -0.126 31.944 32.500 -0.717 0.000 0.713 197 K HN 0.395 nan 8.250 nan 0.000 0.442 198 E N 0.284 120.364 120.200 -0.200 0.000 2.077 198 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 198 E C 1.932 178.559 176.600 0.045 0.000 0.989 198 E CA 1.233 57.626 56.400 -0.012 0.000 0.800 198 E CB -0.284 29.432 29.700 0.027 0.000 0.746 198 E HN 0.428 nan 8.360 nan 0.000 0.452 199 A N 1.109 123.932 122.820 0.004 0.000 1.902 199 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 199 A C 2.253 179.895 177.584 0.096 0.000 1.181 199 A CA 1.280 53.358 52.037 0.069 0.000 0.623 199 A CB -0.565 18.458 19.000 0.037 0.000 0.818 199 A HN 0.245 nan 8.150 nan 0.000 0.443 200 L N -1.649 119.563 121.223 -0.018 0.000 2.093 200 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 200 L C 2.207 179.230 176.870 0.256 0.000 1.085 200 L CA 1.714 56.574 54.840 0.033 0.000 0.755 200 L CB -0.709 41.282 42.059 -0.114 0.000 0.904 200 L HN 0.442 nan 8.230 nan 0.000 0.435 201 Y N -0.091 120.267 120.300 0.096 0.000 2.242 201 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 201 Y C 2.443 178.402 175.900 0.098 0.000 1.137 201 Y CA 0.948 59.104 58.100 0.093 0.000 1.181 201 Y CB -1.058 37.438 38.460 0.059 0.000 0.989 201 Y HN 0.271 nan 8.280 nan 0.000 0.527 202 D N -1.150 119.408 120.400 0.262 0.000 2.123 202 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 202 D C 2.029 178.427 176.300 0.164 0.000 0.992 202 D CA 1.260 55.366 54.000 0.178 0.000 0.833 202 D CB -0.673 40.220 40.800 0.155 0.000 0.954 202 D HN 0.357 nan 8.370 nan 0.000 0.455 203 Y N 1.248 121.629 120.300 0.134 0.000 2.036 203 Y HA -0.202 4.348 4.550 -0.000 0.000 0.273 203 Y C 2.210 178.169 175.900 0.099 0.000 1.135 203 Y CA 1.588 59.764 58.100 0.126 0.000 1.106 203 Y CB -0.546 38.002 38.460 0.147 0.000 0.976 203 Y HN -0.084 nan 8.280 nan 0.000 0.483 204 L N -0.208 121.122 121.223 0.178 0.000 2.012 204 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 204 L C 2.505 179.365 176.870 -0.017 0.000 1.073 204 L CA 1.708 56.603 54.840 0.093 0.000 0.748 204 L CB -0.859 41.341 42.059 0.235 0.000 0.891 204 L HN 0.346 nan 8.230 nan 0.000 0.431 205 I N -0.052 120.519 120.570 0.003 0.000 2.091 205 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 205 I C -0.207 175.880 176.117 -0.051 0.000 1.046 205 I CA 2.018 63.300 61.300 -0.030 0.000 1.306 205 I CB -1.671 36.318 38.000 -0.017 0.000 1.018 205 I HN 0.231 nan 8.210 nan 0.000 0.404 206 P HA -0.132 nan 4.420 nan 0.000 0.216 206 P C 1.856 179.102 177.300 -0.091 0.000 1.153 206 P CA 1.486 64.539 63.100 -0.079 0.000 0.848 206 P CB 0.003 31.641 31.700 -0.104 0.000 0.787 207 I N -1.250 119.243 120.570 -0.129 0.000 2.142 207 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 207 I C 2.258 178.339 176.117 -0.061 0.000 1.078 207 I CA 1.582 62.814 61.300 -0.113 0.000 1.343 207 I CB -0.699 37.210 38.000 -0.151 0.000 1.046 207 I HN -0.112 nan 8.210 nan 0.000 0.405 208 I N 0.719 121.261 120.570 -0.046 0.000 2.163 208 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 208 I C 2.547 178.646 176.117 -0.030 0.000 1.085 208 I CA 1.511 62.794 61.300 -0.028 0.000 1.347 208 I CB -0.439 37.548 38.000 -0.021 0.000 1.044 208 I HN 0.240 nan 8.210 nan 0.000 0.408 209 E N 0.311 120.490 120.200 -0.035 0.000 2.070 209 E HA -0.345 4.005 4.350 -0.000 0.000 0.197 209 E C 2.217 178.800 176.600 -0.028 0.000 1.004 209 E CA 1.600 57.982 56.400 -0.030 0.000 0.805 209 E CB -0.188 29.493 29.700 -0.032 0.000 0.744 209 E HN 0.501 nan 8.360 nan 0.000 0.451 210 Q N 0.165 119.945 119.800 -0.034 0.000 2.135 210 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 210 Q C 1.819 177.802 176.000 -0.028 0.000 0.981 210 Q CA 1.365 57.148 55.803 -0.033 0.000 0.856 210 Q CB 0.134 28.847 28.738 -0.042 0.000 0.902 210 Q HN -0.026 nan 8.270 nan 0.000 0.425 211 R N -0.767 119.717 120.500 -0.027 0.000 2.297 211 R HA 0.090 4.430 4.340 -0.000 0.000 0.197 211 R C 1.704 177.993 176.300 -0.019 0.000 0.943 211 R CA 0.426 56.513 56.100 -0.023 0.000 1.038 211 R CB 0.264 30.550 30.300 -0.023 0.000 0.957 211 R HN 0.186 nan 8.270 nan 0.000 0.484 212 R N -0.267 120.223 120.500 -0.018 0.000 2.112 212 R HA 0.049 4.389 4.340 -0.000 0.000 0.216 212 R C 1.720 178.011 176.300 -0.015 0.000 1.080 212 R CA 0.815 56.907 56.100 -0.015 0.000 0.996 212 R CB -0.046 30.246 30.300 -0.013 0.000 0.902 212 R HN 0.278 nan 8.270 nan 0.000 0.449 213 Q N 1.040 120.830 119.800 -0.017 0.000 2.016 213 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 213 Q C 0.902 176.893 176.000 -0.016 0.000 0.978 213 Q CA 1.607 57.401 55.803 -0.016 0.000 0.833 213 Q CB 0.044 28.772 28.738 -0.017 0.000 0.895 213 Q HN 0.201 nan 8.270 nan 0.000 0.427 214 K N 1.574 121.964 120.400 -0.018 0.000 2.624 214 K HA 0.411 4.731 4.320 -0.000 0.000 0.200 214 K C -2.909 173.679 176.600 -0.019 0.000 1.036 214 K CA -1.664 54.613 56.287 -0.018 0.000 1.029 214 K CB 0.644 33.133 32.500 -0.018 0.000 1.317 214 K HN -0.035 nan 8.250 nan 0.000 0.555 215 P HA 0.312 nan 4.420 nan 0.000 0.269 215 P C 0.562 177.850 177.300 -0.021 0.000 1.209 215 P CA 0.124 63.212 63.100 -0.019 0.000 0.776 215 P CB 1.690 33.379 31.700 -0.017 0.000 0.876 216 G N 0.086 108.872 108.800 -0.023 0.000 2.971 216 G HA2 0.461 4.421 3.960 -0.000 0.000 0.235 216 G HA3 0.461 4.421 3.960 -0.000 0.000 0.235 216 G C 0.259 175.144 174.900 -0.026 0.000 1.351 216 G CA -0.313 44.772 45.100 -0.025 0.000 1.039 216 G HN 0.411 nan 8.290 nan 0.000 0.563 217 T N -1.354 113.182 114.554 -0.030 0.000 3.044 217 T HA 0.190 4.540 4.350 -0.000 0.000 0.260 217 T C 0.562 175.238 174.700 -0.040 0.000 1.019 217 T CA 0.291 62.373 62.100 -0.031 0.000 0.921 217 T CB -0.149 68.701 68.868 -0.029 0.000 1.053 217 T HN 0.624 nan 8.240 nan 0.000 0.533 218 D N 1.258 121.630 120.400 -0.047 0.000 2.377 218 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 218 D C 1.472 177.734 176.300 -0.063 0.000 1.196 218 D CA -0.104 53.856 54.000 -0.067 0.000 0.962 218 D CB 1.411 42.167 40.800 -0.074 0.000 1.127 218 D HN 0.073 nan 8.370 nan 0.000 0.471 219 A N 1.201 123.967 122.820 -0.090 0.000 1.908 219 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 219 A C 2.407 179.971 177.584 -0.033 0.000 1.181 219 A CA 1.154 53.151 52.037 -0.066 0.000 0.627 219 A CB -0.750 18.187 19.000 -0.105 0.000 0.818 219 A HN 0.674 nan 8.150 nan 0.000 0.445 220 I N -0.503 120.045 120.570 -0.037 0.000 2.179 220 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 220 I C 2.708 178.820 176.117 -0.008 0.000 1.088 220 I CA 1.474 62.769 61.300 -0.008 0.000 1.357 220 I CB -0.434 37.566 38.000 -0.001 0.000 1.051 220 I HN 0.231 nan 8.210 nan 0.000 0.409 221 S N 0.917 116.605 115.700 -0.020 0.000 2.370 221 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 221 S C 1.999 176.591 174.600 -0.014 0.000 1.033 221 S CA 1.203 59.391 58.200 -0.019 0.000 1.011 221 S CB -0.195 62.990 63.200 -0.025 0.000 0.852 221 S HN 0.298 nan 8.310 nan 0.000 0.457 222 I N 1.209 121.769 120.570 -0.016 0.000 2.252 222 I HA -0.091 4.079 4.170 -0.000 0.000 0.245 222 I C 2.245 178.361 176.117 -0.001 0.000 1.102 222 I CA 1.067 62.361 61.300 -0.011 0.000 1.385 222 I CB -1.385 36.607 38.000 -0.013 0.000 1.064 222 I HN 0.181 nan 8.210 nan 0.000 0.414 223 V N 1.630 121.548 119.914 0.008 0.000 2.307 223 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 223 V C 2.917 179.025 176.094 0.023 0.000 1.045 223 V CA 1.828 64.143 62.300 0.025 0.000 1.024 223 V CB -1.161 30.687 31.823 0.041 0.000 0.651 223 V HN 0.449 nan 8.190 nan 0.000 0.449 224 A N 0.475 123.303 122.820 0.013 0.000 1.978 224 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 224 A C 1.783 179.370 177.584 0.004 0.000 1.170 224 A CA 2.363 54.405 52.037 0.008 0.000 0.636 224 A CB -0.684 18.316 19.000 -0.001 0.000 0.810 224 A HN 0.701 nan 8.150 nan 0.000 0.448 225 N N -0.782 117.917 118.700 -0.002 0.000 2.214 225 N HA 0.317 5.057 4.740 -0.000 0.000 0.214 225 N C 0.630 176.133 175.510 -0.011 0.000 1.132 225 N CA 0.324 53.369 53.050 -0.007 0.000 0.856 225 N CB 0.635 39.115 38.487 -0.011 0.000 1.020 225 N HN 0.429 nan 8.380 nan 0.000 0.509 226 G N -0.225 108.570 108.800 -0.009 0.000 2.599 226 G HA2 0.222 4.182 3.960 -0.000 0.000 0.264 226 G HA3 0.222 4.182 3.960 -0.000 0.000 0.264 226 G C -0.362 174.515 174.900 -0.037 0.000 1.200 226 G CA -0.351 44.737 45.100 -0.021 0.000 0.896 226 G HN 0.018 nan 8.290 nan 0.000 0.536 227 Q N -0.497 119.268 119.800 -0.059 0.000 2.316 227 Q HA 0.450 4.790 4.340 -0.000 0.000 0.264 227 Q C -0.612 175.302 176.000 -0.143 0.000 0.987 227 Q CA -0.652 55.103 55.803 -0.081 0.000 0.852 227 Q CB 2.214 30.911 28.738 -0.067 0.000 1.287 227 Q HN 0.524 nan 8.270 nan 0.000 0.448 228 V N 0.277 120.079 119.914 -0.187 0.000 2.447 228 V HA 0.437 4.557 4.120 -0.000 0.000 0.292 228 V C 0.174 176.125 176.094 -0.239 0.000 1.021 228 V CA -0.921 61.177 62.300 -0.337 0.000 0.850 228 V CB 1.510 32.938 31.823 -0.657 0.000 1.005 228 V HN 1.019 nan 8.190 nan 0.000 0.426 229 N N 3.320 121.899 118.700 -0.202 0.000 2.727 229 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 229 N C 1.266 176.727 175.510 -0.081 0.000 1.040 229 N CA 1.442 54.418 53.050 -0.123 0.000 0.712 229 N CB -0.904 37.519 38.487 -0.108 0.000 0.912 229 N HN 2.265 nan 8.380 nan 0.000 0.545 230 G N -0.321 108.433 108.800 -0.078 0.000 2.412 230 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.252 230 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.252 230 G C 0.197 175.068 174.900 -0.048 0.000 1.038 230 G CA 1.481 46.548 45.100 -0.054 0.000 0.628 230 G HN 0.933 nan 8.290 nan 0.000 0.531 231 R N 0.566 121.036 120.500 -0.051 0.000 2.691 231 R HA 0.758 5.098 4.340 -0.000 0.000 0.259 231 R C -3.019 173.256 176.300 -0.041 0.000 1.048 231 R CA -2.490 53.589 56.100 -0.036 0.000 1.086 231 R CB -0.309 29.978 30.300 -0.022 0.000 1.166 231 R HN 0.156 nan 8.270 nan 0.000 0.526 232 P HA 0.113 nan 4.420 nan 0.000 0.275 232 P C -0.341 176.956 177.300 -0.004 0.000 1.227 232 P CA -0.328 62.761 63.100 -0.018 0.000 0.781 232 P CB 0.528 32.222 31.700 -0.009 0.000 0.906 233 I N 2.008 122.580 120.570 0.003 0.000 2.696 233 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 233 I C 0.909 177.058 176.117 0.053 0.000 1.129 233 I CA 0.125 61.456 61.300 0.053 0.000 1.410 233 I CB 0.810 38.850 38.000 0.067 0.000 1.399 233 I HN 0.434 nan 8.210 nan 0.000 0.579 234 T N 2.157 116.755 114.554 0.074 0.000 2.788 234 T HA 0.132 4.482 4.350 -0.000 0.000 0.280 234 T C 0.954 175.669 174.700 0.025 0.000 0.984 234 T CA -0.353 61.771 62.100 0.039 0.000 0.972 234 T CB 1.546 70.436 68.868 0.036 0.000 1.039 234 T HN 0.625 nan 8.240 nan 0.000 0.530 235 S N -0.406 115.294 115.700 -0.001 0.000 2.371 235 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 235 S C 1.693 176.264 174.600 -0.048 0.000 1.029 235 S CA 1.439 59.627 58.200 -0.021 0.000 0.978 235 S CB -0.752 62.430 63.200 -0.028 0.000 0.833 235 S HN 0.941 nan 8.310 nan 0.000 0.466 236 D N 0.736 121.104 120.400 -0.053 0.000 2.097 236 D HA -0.108 4.531 4.640 -0.000 0.000 0.197 236 D C 1.890 178.135 176.300 -0.092 0.000 0.984 236 D CA 1.375 55.316 54.000 -0.099 0.000 0.826 236 D CB -0.143 40.614 40.800 -0.072 0.000 0.973 236 D HN 0.428 nan 8.370 nan 0.000 0.460 237 E N -0.161 120.023 120.200 -0.028 0.000 2.085 237 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 237 E C 2.141 178.754 176.600 0.021 0.000 0.994 237 E CA 1.099 57.498 56.400 -0.002 0.000 0.801 237 E CB -0.202 29.575 29.700 0.128 0.000 0.743 237 E HN 0.407 nan 8.360 nan 0.000 0.453 238 A N 1.414 124.252 122.820 0.030 0.000 1.930 238 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 238 A C 2.033 179.620 177.584 0.004 0.000 1.175 238 A CA 1.534 53.592 52.037 0.035 0.000 0.627 238 A CB -0.347 18.669 19.000 0.026 0.000 0.815 238 A HN 0.080 nan 8.150 nan 0.000 0.443 239 K N -0.195 120.172 120.400 -0.056 0.000 2.026 239 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 239 K C 2.218 178.797 176.600 -0.036 0.000 1.048 239 K CA 1.457 57.676 56.287 -0.113 0.000 0.929 239 K CB -0.199 32.111 32.500 -0.317 0.000 0.713 239 K HN 0.455 nan 8.250 nan 0.000 0.439 240 R N -0.039 120.432 120.500 -0.049 0.000 2.115 240 R HA -0.048 4.292 4.340 -0.000 0.000 0.230 240 R C 2.455 178.813 176.300 0.096 0.000 1.111 240 R CA 1.570 57.747 56.100 0.127 0.000 0.976 240 R CB -0.219 30.121 30.300 0.065 0.000 0.870 240 R HN 0.319 nan 8.270 nan 0.000 0.445 241 M N -0.053 119.571 119.600 0.040 0.000 2.077 241 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 241 M C 2.538 178.828 176.300 -0.017 0.000 1.070 241 M CA 1.357 56.674 55.300 0.028 0.000 1.125 241 M CB -0.538 32.107 32.600 0.075 0.000 1.339 241 M HN 0.230 nan 8.290 nan 0.000 0.409 242 C N 0.776 120.089 119.300 0.023 0.000 2.403 242 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 242 C C 2.906 177.874 174.990 -0.037 0.000 1.248 242 C CA 1.099 60.139 59.018 0.038 0.000 1.762 242 C CB -1.952 25.838 27.740 0.083 0.000 2.014 242 C HN 0.780 nan 8.230 nan 0.000 0.486 243 G N 0.198 108.956 108.800 -0.069 0.000 2.440 243 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 243 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 243 G C 1.491 175.841 174.900 -0.916 0.000 1.154 243 G CA 1.109 45.996 45.100 -0.354 0.000 0.767 243 G HN 0.477 nan 8.290 nan 0.000 0.552 244 L N 0.629 121.316 121.223 -0.893 0.000 2.017 244 L HA 0.063 4.403 4.340 -0.000 0.000 0.208 244 L C 2.783 179.446 176.870 -0.346 0.000 1.073 244 L CA 1.371 55.800 54.840 -0.685 0.000 0.745 244 L CB -0.496 41.379 42.059 -0.308 0.000 0.894 244 L HN 0.222 nan 8.230 nan 0.000 0.432 245 L N -1.373 119.739 121.223 -0.185 0.000 2.043 245 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 245 L C 2.580 179.253 176.870 -0.329 0.000 1.075 245 L CA 0.903 55.697 54.840 -0.076 0.000 0.752 245 L CB -0.846 41.312 42.059 0.165 0.000 0.891 245 L HN 0.336 nan 8.230 nan 0.000 0.432 246 L N -0.319 120.743 121.223 -0.269 0.000 1.989 246 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 246 L C 2.640 179.233 176.870 -0.461 0.000 1.071 246 L CA 1.723 56.336 54.840 -0.378 0.000 0.749 246 L CB -0.786 41.180 42.059 -0.156 0.000 0.890 246 L HN 0.114 nan 8.230 nan 0.000 0.431 247 V N -0.019 119.693 119.914 -0.336 0.000 2.287 247 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 247 V C 2.675 178.639 176.094 -0.216 0.000 1.053 247 V CA 1.851 64.026 62.300 -0.208 0.000 1.027 247 V CB -1.240 30.520 31.823 -0.105 0.000 0.646 247 V HN 0.587 nan 8.190 nan 0.000 0.447 248 G N -0.138 108.515 108.800 -0.245 0.000 2.446 248 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 248 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 248 G C 1.612 176.332 174.900 -0.299 0.000 1.168 248 G CA 1.021 46.004 45.100 -0.195 0.000 0.771 248 G HN 0.594 nan 8.290 nan 0.000 0.551 249 G N 0.459 108.858 108.800 -0.668 0.000 2.404 249 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.215 249 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.215 249 G C 1.712 176.349 174.900 -0.439 0.000 1.174 249 G CA 0.820 45.430 45.100 -0.817 0.000 0.780 249 G HN 0.350 nan 8.290 nan 0.000 0.537 250 L N -0.094 120.884 121.223 -0.409 0.000 2.162 250 L HA 0.241 4.581 4.340 -0.000 0.000 0.205 250 L C 1.861 178.657 176.870 -0.123 0.000 1.086 250 L CA 1.237 55.951 54.840 -0.211 0.000 0.778 250 L CB 0.104 42.044 42.059 -0.198 0.000 0.928 250 L HN 0.091 nan 8.230 nan 0.000 0.446 251 D N -2.324 118.012 120.400 -0.107 0.000 2.369 251 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 251 D C 1.740 178.040 176.300 -0.000 0.000 1.077 251 D CA 0.881 54.857 54.000 -0.039 0.000 0.842 251 D CB 0.441 41.229 40.800 -0.019 0.000 0.947 251 D HN 0.331 nan 8.370 nan 0.000 0.509 252 T N -3.338 111.219 114.554 0.005 0.000 3.252 252 T HA 0.028 4.378 4.350 -0.000 0.000 0.233 252 T C 1.969 176.746 174.700 0.128 0.000 0.975 252 T CA 0.494 62.632 62.100 0.062 0.000 1.318 252 T CB -0.726 68.175 68.868 0.055 0.000 1.014 252 T HN -0.153 nan 8.240 nan 0.000 0.418 253 V N 2.418 122.406 119.914 0.124 0.000 2.568 253 V HA -0.135 3.985 4.120 -0.000 0.000 0.253 253 V C 2.934 179.143 176.094 0.191 0.000 1.072 253 V CA 1.395 63.816 62.300 0.201 0.000 1.084 253 V CB -0.891 31.017 31.823 0.143 0.000 0.676 253 V HN 0.423 nan 8.190 nan 0.000 0.469 254 V N 0.844 120.813 119.914 0.091 0.000 2.255 254 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 254 V C 2.290 178.404 176.094 0.033 0.000 1.051 254 V CA 2.401 64.729 62.300 0.047 0.000 1.018 254 V CB -0.845 30.974 31.823 -0.006 0.000 0.641 254 V HN 0.608 nan 8.190 nan 0.000 0.445 255 N N -0.387 118.326 118.700 0.021 0.000 2.142 255 N HA -0.136 4.603 4.740 -0.000 0.000 0.186 255 N C 1.788 177.253 175.510 -0.075 0.000 1.023 255 N CA 1.452 54.447 53.050 -0.091 0.000 0.852 255 N CB -0.517 37.959 38.487 -0.017 0.000 0.998 255 N HN 0.480 nan 8.380 nan 0.000 0.424 256 F N 2.307 122.305 119.950 0.081 0.000 2.091 256 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 256 F C 2.141 178.015 175.800 0.124 0.000 1.103 256 F CA 1.219 59.327 58.000 0.179 0.000 1.228 256 F CB -0.383 38.698 39.000 0.135 0.000 0.984 256 F HN -0.067 nan 8.300 nan 0.000 0.477 257 L N -0.945 120.234 121.223 -0.074 0.000 2.056 257 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 257 L C 2.475 179.258 176.870 -0.144 0.000 1.078 257 L CA 1.400 56.229 54.840 -0.018 0.000 0.749 257 L CB -0.888 41.373 42.059 0.336 0.000 0.901 257 L HN 0.057 nan 8.230 nan 0.000 0.433 258 S N -0.220 115.405 115.700 -0.125 0.000 2.382 258 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 258 S C 1.753 176.085 174.600 -0.446 0.000 1.027 258 S CA 1.234 59.292 58.200 -0.237 0.000 0.991 258 S CB -0.340 62.735 63.200 -0.209 0.000 0.823 258 S HN 0.221 nan 8.310 nan 0.000 0.469 259 F N 2.204 121.875 119.950 -0.464 0.000 2.146 259 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 259 F C 2.753 177.976 175.800 -0.962 0.000 1.096 259 F CA 0.747 58.337 58.000 -0.683 0.000 1.275 259 F CB -1.030 37.597 39.000 -0.622 0.000 1.008 259 F HN 0.084 nan 8.300 nan 0.000 0.480 260 S N -0.180 115.086 115.700 -0.724 0.000 2.368 260 S HA -0.224 4.246 4.470 -0.000 0.000 0.224 260 S C 1.995 176.360 174.600 -0.393 0.000 1.029 260 S CA 1.360 59.212 58.200 -0.580 0.000 0.988 260 S CB -0.403 62.513 63.200 -0.472 0.000 0.838 260 S HN 0.278 nan 8.310 nan 0.000 0.462 261 M N 1.669 120.958 119.600 -0.519 0.000 2.254 261 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 261 M C 1.938 178.005 176.300 -0.389 0.000 1.066 261 M CA 1.315 56.245 55.300 -0.616 0.000 1.123 261 M CB -0.259 31.479 32.600 -1.437 0.000 1.388 261 M HN 0.314 nan 8.290 nan 0.000 0.425 262 E N -0.815 119.172 120.200 -0.354 0.000 2.031 262 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 262 E C 1.913 178.389 176.600 -0.208 0.000 0.994 262 E CA 1.551 57.825 56.400 -0.210 0.000 0.800 262 E CB -0.372 29.258 29.700 -0.115 0.000 0.752 262 E HN 0.506 nan 8.360 nan 0.000 0.447 263 F N 1.633 121.364 119.950 -0.364 0.000 2.065 263 F HA -0.220 4.307 4.527 0.000 0.000 0.298 263 F C 2.022 177.711 175.800 -0.186 0.000 1.112 263 F CA 1.563 59.412 58.000 -0.252 0.000 1.212 263 F CB -0.425 38.380 39.000 -0.326 0.000 0.975 263 F HN 0.027 nan 8.300 nan 0.000 0.476 264 L N -0.126 120.871 121.223 -0.377 0.000 2.046 264 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 264 L C 2.763 179.268 176.870 -0.609 0.000 1.077 264 L CA 1.273 55.889 54.840 -0.373 0.000 0.747 264 L CB -1.254 40.788 42.059 -0.030 0.000 0.896 264 L HN 0.275 nan 8.230 nan 0.000 0.432 265 A N -0.011 122.446 122.820 -0.605 0.000 2.024 265 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 265 A C 2.156 179.441 177.584 -0.499 0.000 1.164 265 A CA 1.675 53.255 52.037 -0.761 0.000 0.643 265 A CB -0.269 18.568 19.000 -0.273 0.000 0.806 265 A HN 0.355 nan 8.150 nan 0.000 0.451 266 K N -0.985 119.159 120.400 -0.428 0.000 2.361 266 K HA 0.162 4.482 4.320 -0.000 0.000 0.194 266 K C 0.414 176.804 176.600 -0.350 0.000 1.032 266 K CA 0.489 56.584 56.287 -0.320 0.000 1.048 266 K CB 0.486 32.855 32.500 -0.219 0.000 0.842 266 K HN 0.193 nan 8.250 nan 0.000 0.526 267 S N 1.159 116.575 115.700 -0.473 0.000 2.269 267 S HA 0.269 4.739 4.470 -0.000 0.000 0.194 267 S C -2.256 172.232 174.600 -0.186 0.000 1.547 267 S CA -1.903 56.110 58.200 -0.311 0.000 1.186 267 S CB 0.505 63.430 63.200 -0.458 0.000 1.069 267 S HN -0.117 nan 8.310 nan 0.000 0.473 268 P HA -0.148 nan 4.420 nan 0.000 0.216 268 P C 0.843 178.109 177.300 -0.057 0.000 1.154 268 P CA 1.328 64.360 63.100 -0.113 0.000 0.865 268 P CB 0.207 31.855 31.700 -0.087 0.000 0.789 269 E N -2.258 117.902 120.200 -0.067 0.000 2.204 269 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 269 E C 1.809 178.328 176.600 -0.136 0.000 0.989 269 E CA 1.046 57.384 56.400 -0.102 0.000 0.824 269 E CB -0.922 28.680 29.700 -0.164 0.000 0.756 269 E HN 0.492 nan 8.360 nan 0.000 0.477 270 H N 0.045 119.107 119.070 -0.014 0.000 2.363 270 H HA 0.122 4.678 4.556 -0.000 0.000 0.301 270 H C 1.875 177.352 175.328 0.248 0.000 1.074 270 H CA 1.251 57.366 56.048 0.112 0.000 1.354 270 H CB 0.142 29.985 29.762 0.136 0.000 1.397 270 H HN -0.012 nan 8.280 nan 0.000 0.516 271 R N 0.342 120.972 120.500 0.218 0.000 2.083 271 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 271 R C 2.149 178.532 176.300 0.140 0.000 1.137 271 R CA 1.277 57.478 56.100 0.168 0.000 0.951 271 R CB -0.140 30.207 30.300 0.079 0.000 0.851 271 R HN 0.357 nan 8.270 nan 0.000 0.434 272 Q N 0.671 120.524 119.800 0.089 0.000 2.084 272 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 272 Q C 1.889 177.939 176.000 0.084 0.000 0.978 272 Q CA 1.433 57.275 55.803 0.065 0.000 0.844 272 Q CB -0.114 28.641 28.738 0.029 0.000 0.898 272 Q HN 0.442 nan 8.270 nan 0.000 0.426 273 E N -0.086 120.183 120.200 0.115 0.000 2.077 273 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 273 E C 2.058 178.749 176.600 0.151 0.000 0.989 273 E CA 0.687 57.172 56.400 0.141 0.000 0.800 273 E CB 0.040 29.878 29.700 0.228 0.000 0.746 273 E HN 0.287 nan 8.360 nan 0.000 0.452 274 L N 0.435 121.763 121.223 0.175 0.000 2.179 274 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 274 L C 2.386 179.301 176.870 0.075 0.000 1.096 274 L CA 0.399 55.302 54.840 0.105 0.000 0.779 274 L CB -0.208 41.903 42.059 0.088 0.000 0.922 274 L HN 0.200 nan 8.230 nan 0.000 0.443 275 I N 0.326 120.947 120.570 0.084 0.000 2.142 275 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 275 I C 2.523 178.668 176.117 0.048 0.000 1.078 275 I CA 1.642 62.978 61.300 0.061 0.000 1.343 275 I CB -0.222 37.815 38.000 0.061 0.000 1.046 275 I HN 0.370 nan 8.210 nan 0.000 0.405 276 E N 0.760 120.991 120.200 0.051 0.000 2.230 276 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 276 E C 0.660 177.284 176.600 0.041 0.000 0.987 276 E CA 0.435 56.860 56.400 0.041 0.000 0.841 276 E CB 0.049 29.770 29.700 0.035 0.000 0.783 276 E HN 0.403 nan 8.360 nan 0.000 0.481 277 R N 1.082 121.613 120.500 0.051 0.000 2.748 277 R HA 0.211 4.551 4.340 -0.000 0.000 0.283 277 R C -2.253 174.072 176.300 0.041 0.000 1.507 277 R CA -1.553 54.576 56.100 0.048 0.000 1.666 277 R CB 1.028 31.365 30.300 0.062 0.000 1.237 277 R HN 0.040 nan 8.270 nan 0.000 0.633 278 P HA -0.204 nan 4.420 nan 0.000 0.221 278 P C 1.208 178.518 177.300 0.017 0.000 1.145 278 P CA 1.075 64.189 63.100 0.023 0.000 0.795 278 P CB 0.305 32.019 31.700 0.022 0.000 0.775 279 E N 0.071 120.284 120.200 0.022 0.000 2.409 279 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 279 E C 1.548 178.159 176.600 0.018 0.000 1.024 279 E CA 1.028 57.441 56.400 0.022 0.000 0.861 279 E CB -0.691 29.025 29.700 0.027 0.000 0.788 279 E HN 0.327 nan 8.360 nan 0.000 0.521 280 R N 0.098 120.606 120.500 0.012 0.000 2.254 280 R HA 0.277 4.617 4.340 -0.000 0.000 0.195 280 R C 2.451 178.708 176.300 -0.072 0.000 0.957 280 R CA 0.165 56.264 56.100 -0.002 0.000 1.024 280 R CB -0.094 30.227 30.300 0.036 0.000 0.952 280 R HN 0.176 nan 8.270 nan 0.000 0.484 281 I N 1.639 122.172 120.570 -0.062 0.000 2.113 281 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 281 I C -0.815 175.257 176.117 -0.075 0.000 1.064 281 I CA 1.838 63.084 61.300 -0.089 0.000 1.320 281 I CB -1.282 36.699 38.000 -0.033 0.000 1.028 281 I HN 0.069 nan 8.210 nan 0.000 0.406 282 P HA -0.191 nan 4.420 nan 0.000 0.213 282 P C 1.592 178.894 177.300 0.004 0.000 1.170 282 P CA 2.036 65.142 63.100 0.010 0.000 0.898 282 P CB -0.070 31.646 31.700 0.026 0.000 0.787 283 A N 0.091 122.910 122.820 -0.001 0.000 1.903 283 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 283 A C 2.368 179.945 177.584 -0.012 0.000 1.191 283 A CA 2.738 54.788 52.037 0.022 0.000 0.638 283 A CB -1.791 17.233 19.000 0.041 0.000 0.823 283 A HN 0.207 nan 8.150 nan 0.000 0.451 284 A N -1.111 121.591 122.820 -0.196 0.000 1.908 284 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 284 A C 2.477 179.970 177.584 -0.151 0.000 1.181 284 A CA 1.953 53.671 52.037 -0.531 0.000 0.627 284 A CB -1.510 16.897 19.000 -0.987 0.000 0.818 284 A HN 1.076 nan 8.150 nan 0.000 0.445 285 C N -0.497 118.763 119.300 -0.067 0.000 2.429 285 C HA -0.085 4.375 4.460 -0.000 0.000 0.277 285 C C 2.530 177.558 174.990 0.065 0.000 1.262 285 C CA 1.586 60.635 59.018 0.052 0.000 1.733 285 C CB -1.146 26.637 27.740 0.071 0.000 2.010 285 C HN 0.613 nan 8.230 nan 0.000 0.483 286 E N 0.719 120.957 120.200 0.063 0.000 2.072 286 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 286 E C 1.997 178.636 176.600 0.064 0.000 0.985 286 E CA 1.609 58.060 56.400 0.085 0.000 0.801 286 E CB -0.663 29.129 29.700 0.155 0.000 0.750 286 E HN 0.803 nan 8.360 nan 0.000 0.452 287 E N 1.040 121.302 120.200 0.103 0.000 2.085 287 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 287 E C 2.118 178.748 176.600 0.051 0.000 0.994 287 E CA 0.952 57.412 56.400 0.101 0.000 0.801 287 E CB -0.322 29.509 29.700 0.218 0.000 0.743 287 E HN 0.207 nan 8.360 nan 0.000 0.453 288 L N -0.227 121.091 121.223 0.158 0.000 2.156 288 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 288 L C 2.513 179.591 176.870 0.348 0.000 1.095 288 L CA 0.620 55.649 54.840 0.315 0.000 0.770 288 L CB -0.343 41.998 42.059 0.471 0.000 0.914 288 L HN 0.160 nan 8.230 nan 0.000 0.439 289 L N -0.472 120.766 121.223 0.025 0.000 2.083 289 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 289 L C 2.893 179.478 176.870 -0.476 0.000 1.083 289 L CA 1.143 55.708 54.840 -0.459 0.000 0.752 289 L CB -0.412 41.194 42.059 -0.754 0.000 0.899 289 L HN 0.255 nan 8.230 nan 0.000 0.433 290 R N 0.183 120.473 120.500 -0.349 0.000 2.061 290 R HA -0.218 4.122 4.340 -0.000 0.000 0.230 290 R C 2.491 178.639 176.300 -0.252 0.000 1.140 290 R CA 1.700 57.674 56.100 -0.210 0.000 0.940 290 R CB -0.111 30.167 30.300 -0.037 0.000 0.839 290 R HN 0.070 nan 8.270 nan 0.000 0.429 291 R N -0.011 120.289 120.500 -0.333 0.000 2.075 291 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 291 R C 0.795 176.575 176.300 -0.866 0.000 1.126 291 R CA 1.617 57.322 56.100 -0.659 0.000 0.963 291 R CB -0.243 29.470 30.300 -0.979 0.000 0.858 291 R HN 0.242 nan 8.270 nan 0.000 0.435 292 F N 0.387 120.260 119.950 -0.130 0.000 2.925 292 F HA 0.425 4.952 4.527 0.000 0.000 0.302 292 F C 0.491 176.210 175.800 -0.135 0.000 1.189 292 F CA -0.477 57.398 58.000 -0.209 0.000 1.346 292 F CB -0.033 38.829 39.000 -0.231 0.000 0.954 292 F HN -0.122 nan 8.300 nan 0.000 0.506 293 S N 1.724 117.337 115.700 -0.146 0.000 2.566 293 S HA 0.275 4.745 4.470 -0.000 0.000 0.280 293 S C 0.778 175.222 174.600 -0.261 0.000 1.343 293 S CA -0.014 58.052 58.200 -0.223 0.000 1.036 293 S CB 0.529 63.560 63.200 -0.282 0.000 0.866 293 S HN 0.584 nan 8.310 nan 0.000 0.526 294 L N 1.755 122.846 121.223 -0.220 0.000 3.826 294 L HA 0.571 4.911 4.340 -0.000 0.000 0.362 294 L C -1.009 175.735 176.870 -0.210 0.000 1.235 294 L CA -0.564 54.153 54.840 -0.205 0.000 1.207 294 L CB 0.193 42.292 42.059 0.066 0.000 1.518 294 L HN 0.342 nan 8.230 nan 0.000 0.628 295 V N 1.973 121.748 119.914 -0.232 0.000 2.532 295 V HA 0.849 4.969 4.120 -0.000 0.000 0.295 295 V C 0.345 176.269 176.094 -0.284 0.000 1.041 295 V CA 0.126 62.303 62.300 -0.204 0.000 0.926 295 V CB 1.505 33.252 31.823 -0.126 0.000 0.992 295 V HN 0.354 nan 8.190 nan 0.000 0.457 296 A N 3.610 126.267 122.820 -0.271 0.000 2.679 296 A HA 0.706 5.026 4.320 -0.000 0.000 0.288 296 A C -0.773 176.705 177.584 -0.177 0.000 1.160 296 A CA -0.618 51.277 52.037 -0.237 0.000 0.763 296 A CB 0.660 19.432 19.000 -0.380 0.000 1.270 296 A HN 0.863 nan 8.150 nan 0.000 0.417 297 D N 1.363 121.713 120.400 -0.082 0.000 2.712 297 D HA 0.852 5.492 4.640 -0.000 0.000 0.252 297 D C 0.408 176.735 176.300 0.046 0.000 1.123 297 D CA -0.018 53.931 54.000 -0.084 0.000 1.109 297 D CB 1.120 41.836 40.800 -0.142 0.000 1.313 297 D HN 0.756 nan 8.370 nan 0.000 0.629 298 G N -1.849 106.983 108.800 0.053 0.000 2.782 298 G HA2 0.643 4.603 3.960 -0.000 0.000 0.304 298 G HA3 0.643 4.603 3.960 -0.000 0.000 0.304 298 G C -1.161 173.783 174.900 0.072 0.000 1.315 298 G CA -0.867 44.259 45.100 0.043 0.000 0.791 298 G HN 0.426 nan 8.290 nan 0.000 0.519 299 R N -1.226 119.314 120.500 0.066 0.000 2.817 299 R HA 0.590 4.930 4.340 -0.000 0.000 0.268 299 R C -1.467 174.927 176.300 0.157 0.000 1.027 299 R CA -0.749 55.422 56.100 0.117 0.000 0.928 299 R CB 2.055 32.454 30.300 0.165 0.000 1.228 299 R HN 0.604 nan 8.270 nan 0.000 0.469 300 I N 1.220 121.882 120.570 0.154 0.000 2.530 300 I HA 0.299 4.469 4.170 -0.000 0.000 0.297 300 I C -0.643 175.553 176.117 0.132 0.000 1.011 300 I CA -1.048 60.342 61.300 0.150 0.000 1.107 300 I CB 1.275 39.333 38.000 0.097 0.000 1.285 300 I HN 0.233 nan 8.210 nan 0.000 0.436 301 L N 6.216 127.513 121.223 0.123 0.000 2.367 301 L HA 0.151 4.491 4.340 -0.000 0.000 0.275 301 L C 1.533 178.399 176.870 -0.006 0.000 1.129 301 L CA 0.344 55.186 54.840 0.004 0.000 0.839 301 L CB 1.000 43.079 42.059 0.033 0.000 1.133 301 L HN 0.825 nan 8.230 nan 0.000 0.453 302 T N -1.599 112.913 114.554 -0.070 0.000 3.067 302 T HA 0.071 4.421 4.350 -0.000 0.000 0.261 302 T C 0.769 175.445 174.700 -0.040 0.000 1.110 302 T CA 0.501 62.569 62.100 -0.053 0.000 1.113 302 T CB 0.198 69.008 68.868 -0.098 0.000 0.917 302 T HN 0.647 nan 8.240 nan 0.000 0.499 303 S N -0.288 115.392 115.700 -0.034 0.000 2.703 303 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 303 S C -2.215 172.393 174.600 0.013 0.000 1.178 303 S CA -1.156 57.043 58.200 -0.002 0.000 0.838 303 S CB 0.819 64.025 63.200 0.011 0.000 1.178 303 S HN 0.061 nan 8.310 nan 0.000 0.494 304 D N 1.143 121.554 120.400 0.018 0.000 2.351 304 D HA 0.594 5.234 4.640 -0.000 0.000 0.251 304 D C -1.011 175.333 176.300 0.074 0.000 1.137 304 D CA 0.778 54.788 54.000 0.015 0.000 0.879 304 D CB 0.286 41.079 40.800 -0.011 0.000 1.181 304 D HN 0.499 nan 8.370 nan 0.000 0.448 305 Y N 0.484 120.695 120.300 -0.150 0.000 2.519 305 Y HA 0.240 4.790 4.550 -0.000 0.000 0.336 305 Y C -1.377 174.422 175.900 -0.169 0.000 1.089 305 Y CA -1.071 56.886 58.100 -0.239 0.000 1.025 305 Y CB 1.589 39.765 38.460 -0.472 0.000 1.318 305 Y HN 0.295 nan 8.280 nan 0.000 0.452 306 E N 5.608 125.360 120.200 -0.747 0.000 2.092 306 E HA 0.339 4.689 4.350 -0.000 0.000 0.271 306 E C -2.025 174.123 176.600 -0.752 0.000 0.919 306 E CA -0.613 55.458 56.400 -0.548 0.000 0.760 306 E CB 0.755 30.264 29.700 -0.318 0.000 1.106 306 E HN 0.459 nan 8.360 nan 0.000 0.408 307 F N 5.212 124.798 119.950 -0.606 0.000 2.445 307 F HA 0.263 4.789 4.527 -0.000 0.000 0.348 307 F C -0.232 175.481 175.800 -0.144 0.000 1.125 307 F CA -0.583 57.179 58.000 -0.397 0.000 0.983 307 F CB 0.422 39.392 39.000 -0.050 0.000 1.198 307 F HN 0.619 nan 8.300 nan 0.000 0.436 308 H N 3.956 122.766 119.070 -0.435 0.000 2.692 308 H HA -0.183 4.373 4.556 0.000 0.000 0.316 308 H C 1.412 176.606 175.328 -0.224 0.000 1.176 308 H CA 1.031 56.843 56.048 -0.393 0.000 1.142 308 H CB -1.190 28.230 29.762 -0.570 0.000 1.475 308 H HN 1.181 nan 8.280 nan 0.000 0.423 309 G N -1.184 107.538 108.800 -0.129 0.000 2.155 309 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 309 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 309 G C 0.276 175.147 174.900 -0.049 0.000 0.983 309 G CA 0.383 45.437 45.100 -0.077 0.000 0.676 309 G HN 0.523 nan 8.290 nan 0.000 0.528 310 V N 0.591 120.461 119.914 -0.074 0.000 2.581 310 V HA 0.571 4.691 4.120 -0.000 0.000 0.303 310 V C 0.212 176.231 176.094 -0.125 0.000 1.041 310 V CA -1.093 61.158 62.300 -0.080 0.000 0.907 310 V CB 1.956 33.701 31.823 -0.129 0.000 0.994 310 V HN 0.257 nan 8.190 nan 0.000 0.442 311 Q N 3.589 123.352 119.800 -0.062 0.000 2.274 311 Q HA 0.548 4.888 4.340 -0.000 0.000 0.256 311 Q C -1.146 174.855 176.000 0.000 0.000 0.927 311 Q CA -0.173 55.610 55.803 -0.033 0.000 0.939 311 Q CB 1.666 30.424 28.738 0.035 0.000 1.201 311 Q HN 0.600 nan 8.270 nan 0.000 0.426 312 L N 2.827 124.017 121.223 -0.055 0.000 2.322 312 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 312 L C 0.254 177.147 176.870 0.039 0.000 1.014 312 L CA -0.702 54.135 54.840 -0.005 0.000 0.815 312 L CB 1.439 43.420 42.059 -0.130 0.000 1.247 312 L HN 0.231 nan 8.230 nan 0.000 0.421 313 K N 2.450 122.875 120.400 0.042 0.000 2.130 313 K HA 0.269 4.589 4.320 -0.000 0.000 0.268 313 K C -0.299 176.307 176.600 0.011 0.000 0.983 313 K CA -0.889 55.324 56.287 -0.122 0.000 0.893 313 K CB 1.963 34.191 32.500 -0.453 0.000 1.066 313 K HN 0.434 nan 8.250 nan 0.000 0.450 314 K N 0.622 121.020 120.400 -0.004 0.000 2.530 314 K HA -0.165 4.155 4.320 -0.000 0.000 0.280 314 K C 0.724 177.359 176.600 0.058 0.000 1.004 314 K CA 1.525 57.825 56.287 0.022 0.000 1.071 314 K CB -0.087 32.417 32.500 0.006 0.000 0.876 314 K HN 0.862 nan 8.250 nan 0.000 0.487 315 G N 3.106 111.958 108.800 0.087 0.000 2.213 315 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 315 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 315 G C -0.358 174.657 174.900 0.192 0.000 0.991 315 G CA 0.121 45.290 45.100 0.116 0.000 0.629 315 G HN 0.720 nan 8.290 nan 0.000 0.517 316 D N 1.437 122.001 120.400 0.273 0.000 2.414 316 D HA 0.427 5.066 4.640 -0.000 0.000 0.242 316 D C 0.796 177.331 176.300 0.392 0.000 1.129 316 D CA 0.516 54.795 54.000 0.464 0.000 0.885 316 D CB 0.607 41.842 40.800 0.725 0.000 1.198 316 D HN 0.491 nan 8.370 nan 0.000 0.437 317 Q N 0.825 120.863 119.800 0.397 0.000 2.245 317 Q HA 0.607 4.947 4.340 -0.000 0.000 0.256 317 Q C -0.405 175.843 176.000 0.414 0.000 0.942 317 Q CA -0.643 55.335 55.803 0.293 0.000 0.896 317 Q CB 2.648 31.477 28.738 0.153 0.000 1.272 317 Q HN 0.467 nan 8.270 nan 0.000 0.442 318 I N 2.625 123.389 120.570 0.323 0.000 2.533 318 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 318 I C -1.581 174.621 176.117 0.142 0.000 1.056 318 I CA -1.151 60.344 61.300 0.326 0.000 1.057 318 I CB 1.327 39.498 38.000 0.284 0.000 1.240 318 I HN 0.512 nan 8.210 nan 0.000 0.423 319 L N 8.247 129.558 121.223 0.146 0.000 2.319 319 L HA 0.364 4.704 4.340 -0.000 0.000 0.280 319 L C -1.021 175.875 176.870 0.044 0.000 1.099 319 L CA 0.306 55.186 54.840 0.068 0.000 0.828 319 L CB 0.647 42.784 42.059 0.130 0.000 1.150 319 L HN 0.543 nan 8.230 nan 0.000 0.442 320 L N 7.669 128.882 121.223 -0.016 0.000 2.581 320 L HA 0.375 4.715 4.340 -0.000 0.000 0.241 320 L C -2.165 174.753 176.870 0.079 0.000 1.265 320 L CA -1.709 53.072 54.840 -0.099 0.000 0.954 320 L CB 0.731 42.472 42.059 -0.531 0.000 1.269 320 L HN 0.489 nan 8.230 nan 0.000 0.475 321 P HA 0.004 nan 4.420 nan 0.000 0.259 321 P C 0.348 177.640 177.300 -0.014 0.000 1.211 321 P CA 0.216 63.317 63.100 0.002 0.000 0.810 321 P CB 0.716 32.444 31.700 0.046 0.000 0.815 322 Q N 2.759 122.554 119.800 -0.008 0.000 2.197 322 Q HA -0.212 4.128 4.340 -0.000 0.000 0.207 322 Q C 1.936 177.871 176.000 -0.109 0.000 0.984 322 Q CA 1.660 57.450 55.803 -0.022 0.000 0.869 322 Q CB -0.523 28.168 28.738 -0.078 0.000 0.906 322 Q HN 0.510 nan 8.270 nan 0.000 0.426 323 M N -0.227 119.248 119.600 -0.209 0.000 2.089 323 M HA -0.258 4.222 4.480 -0.000 0.000 0.257 323 M C 1.491 177.674 176.300 -0.195 0.000 1.071 323 M CA 1.653 56.788 55.300 -0.276 0.000 1.096 323 M CB -0.036 32.266 32.600 -0.496 0.000 1.330 323 M HN 0.291 nan 8.290 nan 0.000 0.403 324 L N -0.913 120.229 121.223 -0.135 0.000 2.179 324 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 324 L C 2.404 179.231 176.870 -0.071 0.000 1.096 324 L CA 0.745 55.537 54.840 -0.080 0.000 0.779 324 L CB -0.646 41.393 42.059 -0.034 0.000 0.922 324 L HN 0.327 nan 8.230 nan 0.000 0.443 325 S N 0.721 116.385 115.700 -0.059 0.000 2.378 325 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 325 S C 1.976 176.543 174.600 -0.055 0.000 1.052 325 S CA 1.735 59.902 58.200 -0.054 0.000 1.084 325 S CB -0.893 62.282 63.200 -0.042 0.000 0.950 325 S HN 0.625 nan 8.310 nan 0.000 0.440 326 G N 0.654 109.426 108.800 -0.048 0.000 2.484 326 G HA2 0.031 3.991 3.960 -0.000 0.000 0.218 326 G HA3 0.031 3.991 3.960 -0.000 0.000 0.218 326 G C 1.168 176.022 174.900 -0.076 0.000 1.130 326 G CA 0.250 45.326 45.100 -0.041 0.000 0.784 326 G HN 0.470 nan 8.290 nan 0.000 0.543 327 L N 0.202 121.370 121.223 -0.093 0.000 2.558 327 L HA 0.171 4.511 4.340 -0.000 0.000 0.225 327 L C 0.547 177.373 176.870 -0.074 0.000 1.128 327 L CA -0.258 54.523 54.840 -0.098 0.000 0.868 327 L CB 0.034 42.029 42.059 -0.107 0.000 1.006 327 L HN 0.024 nan 8.230 nan 0.000 0.454 328 D N 1.406 121.765 120.400 -0.067 0.000 2.371 328 D HA -0.057 4.583 4.640 -0.000 0.000 0.256 328 D C 1.354 177.621 176.300 -0.055 0.000 1.193 328 D CA 0.011 53.973 54.000 -0.063 0.000 0.881 328 D CB 1.089 41.849 40.800 -0.067 0.000 1.143 328 D HN 0.166 nan 8.370 nan 0.000 0.473 329 E N 4.746 124.916 120.200 -0.051 0.000 2.209 329 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 329 E C 1.157 177.733 176.600 -0.040 0.000 0.993 329 E CA 0.917 57.292 56.400 -0.042 0.000 0.819 329 E CB -0.311 29.366 29.700 -0.038 0.000 0.745 329 E HN 0.564 nan 8.360 nan 0.000 0.477 330 R N 0.454 120.926 120.500 -0.047 0.000 2.280 330 R HA 0.029 4.369 4.340 -0.000 0.000 0.207 330 R C 1.741 178.017 176.300 -0.041 0.000 1.043 330 R CA 0.965 57.039 56.100 -0.044 0.000 1.006 330 R CB 0.101 30.368 30.300 -0.054 0.000 0.885 330 R HN 0.235 nan 8.270 nan 0.000 0.467 331 E N -0.123 120.051 120.200 -0.042 0.000 2.306 331 E HA 0.136 4.486 4.350 -0.000 0.000 0.201 331 E C -0.033 176.548 176.600 -0.031 0.000 0.874 331 E CA 0.335 56.711 56.400 -0.040 0.000 0.972 331 E CB 0.468 30.139 29.700 -0.049 0.000 0.957 331 E HN 0.191 nan 8.360 nan 0.000 0.492 332 N N 0.864 119.545 118.700 -0.032 0.000 2.430 332 N HA 0.363 5.103 4.740 -0.000 0.000 0.290 332 N C -0.914 174.585 175.510 -0.018 0.000 1.063 332 N CA -0.166 52.870 53.050 -0.023 0.000 0.883 332 N CB 2.404 40.874 38.487 -0.029 0.000 1.465 332 N HN -0.018 nan 8.380 nan 0.000 0.493 333 A N 0.608 123.423 122.820 -0.007 0.000 2.498 333 A HA 0.202 4.522 4.320 -0.000 0.000 0.239 333 A C 0.757 178.346 177.584 0.008 0.000 1.068 333 A CA -0.032 52.003 52.037 -0.004 0.000 0.766 333 A CB -0.235 18.765 19.000 0.001 0.000 1.003 333 A HN 0.961 nan 8.150 nan 0.000 0.497 334 C N 2.181 121.482 119.300 0.002 0.000 3.349 334 C HA -0.100 4.359 4.460 -0.000 0.000 0.275 334 C C -0.472 174.535 174.990 0.029 0.000 1.322 334 C CA -0.026 59.001 59.018 0.015 0.000 2.261 334 C CB -2.349 25.399 27.740 0.014 0.000 1.446 334 C HN 0.857 nan 8.230 nan 0.000 0.533 335 P HA -0.176 nan 4.420 nan 0.000 0.219 335 P C 1.312 178.558 177.300 -0.090 0.000 1.146 335 P CA 1.668 64.736 63.100 -0.053 0.000 0.808 335 P CB -0.004 31.659 31.700 -0.062 0.000 0.779 336 M N -1.797 117.766 119.600 -0.061 0.000 2.561 336 M HA 0.082 4.562 4.480 -0.000 0.000 0.238 336 M C 0.592 176.854 176.300 -0.064 0.000 1.131 336 M CA 0.145 55.389 55.300 -0.094 0.000 1.046 336 M CB -1.569 31.002 32.600 -0.049 0.000 1.532 336 M HN 0.027 nan 8.290 nan 0.000 0.497 337 H N 0.727 119.722 119.070 -0.125 0.000 2.517 337 H HA 0.435 4.991 4.556 -0.000 0.000 0.317 337 H C -1.111 174.116 175.328 -0.168 0.000 1.080 337 H CA -0.434 55.553 56.048 -0.102 0.000 1.301 337 H CB 0.966 30.699 29.762 -0.049 0.000 1.425 337 H HN -0.149 nan 8.280 nan 0.000 0.471 338 V N 6.116 125.603 119.914 -0.713 0.000 2.368 338 V HA 0.148 4.268 4.120 -0.000 0.000 0.266 338 V C -0.124 175.526 176.094 -0.740 0.000 1.045 338 V CA -0.302 61.567 62.300 -0.717 0.000 0.899 338 V CB 0.680 31.877 31.823 -1.043 0.000 1.006 338 V HN 0.808 nan 8.190 nan 0.000 0.470 339 D N 4.169 124.287 120.400 -0.469 0.000 2.542 339 D HA 0.351 4.991 4.640 -0.000 0.000 0.252 339 D C 0.335 176.632 176.300 -0.006 0.000 1.222 339 D CA -0.599 53.255 54.000 -0.244 0.000 0.895 339 D CB 1.274 42.026 40.800 -0.081 0.000 1.207 339 D HN 0.219 nan 8.370 nan 0.000 0.558 340 F N 1.422 121.416 119.950 0.074 0.000 2.604 340 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 340 F C 2.195 178.031 175.800 0.059 0.000 1.131 340 F CA 0.451 58.497 58.000 0.077 0.000 1.457 340 F CB -0.538 38.534 39.000 0.120 0.000 1.095 340 F HN 0.335 nan 8.300 nan 0.000 0.574 341 S N -0.876 114.947 115.700 0.205 0.000 2.575 341 S HA 0.220 4.690 4.470 -0.000 0.000 0.237 341 S C 0.539 175.199 174.600 0.098 0.000 0.975 341 S CA -0.679 57.603 58.200 0.137 0.000 0.960 341 S CB -0.326 62.942 63.200 0.114 0.000 0.822 341 S HN 0.113 nan 8.310 nan 0.000 0.472 342 R N 1.794 122.352 120.500 0.095 0.000 2.538 342 R HA 0.111 4.451 4.340 -0.000 0.000 0.282 342 R C 1.007 177.343 176.300 0.060 0.000 1.009 342 R CA -0.133 56.008 56.100 0.069 0.000 1.063 342 R CB 0.331 30.666 30.300 0.059 0.000 0.945 342 R HN 0.302 nan 8.270 nan 0.000 0.414 343 Q N 1.593 121.421 119.800 0.047 0.000 2.124 343 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 343 Q C 0.122 176.141 176.000 0.033 0.000 0.977 343 Q CA 1.547 57.373 55.803 0.038 0.000 0.850 343 Q CB 0.020 28.776 28.738 0.029 0.000 0.901 343 Q HN 0.212 nan 8.270 nan 0.000 0.429 344 K N -0.130 120.287 120.400 0.028 0.000 2.637 344 K HA 0.290 4.610 4.320 -0.000 0.000 0.248 344 K C -1.679 174.931 176.600 0.018 0.000 0.971 344 K CA -0.356 55.942 56.287 0.018 0.000 0.858 344 K CB 1.592 34.096 32.500 0.007 0.000 1.170 344 K HN -0.281 nan 8.250 nan 0.000 0.443 345 V N 3.467 123.396 119.914 0.025 0.000 2.334 345 V HA 0.355 4.475 4.120 -0.000 0.000 0.267 345 V C -0.185 175.897 176.094 -0.021 0.000 1.040 345 V CA -0.585 61.738 62.300 0.037 0.000 0.866 345 V CB 0.853 32.732 31.823 0.094 0.000 1.019 345 V HN 0.776 nan 8.190 nan 0.000 0.468 346 S N 5.609 121.287 115.700 -0.037 0.000 2.429 346 S HA 0.710 5.180 4.470 -0.000 0.000 0.302 346 S C -0.556 173.995 174.600 -0.082 0.000 1.115 346 S CA -0.489 57.650 58.200 -0.102 0.000 1.095 346 S CB 0.198 63.360 63.200 -0.063 0.000 0.987 346 S HN 1.048 nan 8.310 nan 0.000 0.474 347 H N 0.358 119.401 119.070 -0.045 0.000 2.960 347 H HA 0.659 5.215 4.556 -0.000 0.000 0.323 347 H C -0.363 174.934 175.328 -0.053 0.000 1.326 347 H CA -0.410 55.591 56.048 -0.078 0.000 1.124 347 H CB 1.013 30.700 29.762 -0.126 0.000 1.853 347 H HN 0.323 nan 8.280 nan 0.000 0.536 348 T N -3.040 111.594 114.554 0.133 0.000 3.633 348 T HA 0.167 4.517 4.350 -0.000 0.000 0.278 348 T C 0.352 175.096 174.700 0.073 0.000 0.991 348 T CA 0.030 62.199 62.100 0.116 0.000 1.036 348 T CB -0.563 68.343 68.868 0.063 0.000 1.148 348 T HN 0.605 nan 8.240 nan 0.000 0.501 349 T N 1.350 115.960 114.554 0.094 0.000 2.803 349 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 349 T C 0.426 174.864 174.700 -0.437 0.000 1.052 349 T CA 1.377 63.251 62.100 -0.376 0.000 1.136 349 T CB -0.394 67.961 68.868 -0.855 0.000 0.864 349 T HN 0.549 nan 8.240 nan 0.000 0.467 350 F N 0.881 120.826 119.950 -0.009 0.000 2.639 350 F HA 0.487 5.014 4.527 -0.000 0.000 0.300 350 F C 1.538 177.303 175.800 -0.058 0.000 1.109 350 F CA -0.285 57.683 58.000 -0.054 0.000 1.335 350 F CB -0.316 38.646 39.000 -0.064 0.000 1.014 350 F HN 0.265 nan 8.300 nan 0.000 0.537 351 G N 0.115 108.939 108.800 0.040 0.000 2.728 351 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.294 351 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.294 351 G C -1.470 173.443 174.900 0.022 0.000 1.342 351 G CA -0.677 44.371 45.100 -0.087 0.000 0.866 351 G HN 0.534 nan 8.290 nan 0.000 0.534 352 H N -1.048 117.900 119.070 -0.203 0.000 3.064 352 H HA 0.688 5.244 4.556 -0.000 0.000 0.352 352 H C 0.613 175.946 175.328 0.008 0.000 1.260 352 H CA 1.825 57.847 56.048 -0.043 0.000 1.160 352 H CB 1.385 31.180 29.762 0.054 0.000 1.879 352 H HN 2.640 nan 8.280 nan 0.000 0.544 353 G N 0.922 109.455 108.800 -0.445 0.000 2.542 353 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 353 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 353 G C 1.110 175.969 174.900 -0.070 0.000 1.286 353 G CA 0.615 45.635 45.100 -0.135 0.000 0.904 353 G HN 1.362 nan 8.290 nan 0.000 0.577 354 S N -1.020 114.675 115.700 -0.007 0.000 2.474 354 S HA -0.031 4.439 4.470 -0.000 0.000 0.235 354 S C 1.352 175.823 174.600 -0.216 0.000 0.997 354 S CA 1.783 59.895 58.200 -0.146 0.000 0.949 354 S CB -0.225 62.832 63.200 -0.239 0.000 0.766 354 S HN 0.728 nan 8.310 nan 0.000 0.517 355 H N 0.549 119.607 119.070 -0.020 0.000 2.538 355 H HA 0.330 4.886 4.556 -0.000 0.000 0.286 355 H C 0.147 175.457 175.328 -0.030 0.000 1.035 355 H CA -0.481 55.560 56.048 -0.011 0.000 1.169 355 H CB -0.110 29.660 29.762 0.013 0.000 1.417 355 H HN 0.307 nan 8.280 nan 0.000 0.567 356 L N 1.624 122.861 121.223 0.024 0.000 2.578 356 L HA -0.075 4.264 4.340 -0.000 0.000 0.279 356 L C 0.450 177.330 176.870 0.016 0.000 1.227 356 L CA 0.020 54.865 54.840 0.010 0.000 0.900 356 L CB -0.041 42.003 42.059 -0.024 0.000 1.144 356 L HN 0.277 nan 8.230 nan 0.000 0.496 357 C N 6.636 125.952 119.300 0.027 0.000 2.409 357 C HA -0.019 4.441 4.460 -0.000 0.000 0.399 357 C C 1.951 176.866 174.990 -0.126 0.000 1.505 357 C CA -0.212 58.799 59.018 -0.011 0.000 1.435 357 C CB -1.669 26.094 27.740 0.039 0.000 2.462 357 C HN 0.903 nan 8.230 nan 0.000 0.619 358 L N 5.040 126.230 121.223 -0.055 0.000 2.217 358 L HA 0.097 4.436 4.340 -0.000 0.000 0.211 358 L C 2.479 179.304 176.870 -0.074 0.000 1.107 358 L CA 1.498 56.316 54.840 -0.035 0.000 0.783 358 L CB -0.370 41.701 42.059 0.021 0.000 0.919 358 L HN 0.905 nan 8.230 nan 0.000 0.442 359 G N -0.629 108.104 108.800 -0.111 0.000 3.088 359 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 359 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 359 G C 1.373 176.097 174.900 -0.294 0.000 1.173 359 G CA 0.020 45.051 45.100 -0.114 0.000 0.779 359 G HN 0.533 nan 8.290 nan 0.000 0.540 360 Q N -0.055 119.370 119.800 -0.625 0.000 2.181 360 Q HA -0.200 4.140 4.340 -0.000 0.000 0.205 360 Q C 1.771 177.302 176.000 -0.781 0.000 0.980 360 Q CA 1.300 56.384 55.803 -1.198 0.000 0.862 360 Q CB -0.601 27.097 28.738 -1.734 0.000 0.905 360 Q HN 0.506 nan 8.270 nan 0.000 0.429 361 H N 0.732 119.635 119.070 -0.279 0.000 2.326 361 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 361 H C 2.293 177.574 175.328 -0.079 0.000 1.081 361 H CA 1.437 57.401 56.048 -0.140 0.000 1.334 361 H CB -0.371 29.336 29.762 -0.093 0.000 1.385 361 H HN 0.252 nan 8.280 nan 0.000 0.504 362 L N 1.334 122.572 121.223 0.025 0.000 1.989 362 L HA -0.122 4.217 4.340 -0.000 0.000 0.211 362 L C 2.607 179.494 176.870 0.028 0.000 1.071 362 L CA 2.022 56.880 54.840 0.030 0.000 0.749 362 L CB -1.032 41.044 42.059 0.027 0.000 0.890 362 L HN 0.205 nan 8.230 nan 0.000 0.431 363 A N -0.393 122.415 122.820 -0.021 0.000 1.883 363 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 363 A C 2.403 180.045 177.584 0.097 0.000 1.186 363 A CA 1.948 54.019 52.037 0.056 0.000 0.624 363 A CB -0.590 18.456 19.000 0.077 0.000 0.822 363 A HN 0.542 nan 8.150 nan 0.000 0.444 364 R N -1.343 119.181 120.500 0.041 0.000 2.081 364 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 364 R C 2.447 178.820 176.300 0.121 0.000 1.131 364 R CA 1.506 57.659 56.100 0.089 0.000 0.960 364 R CB -0.295 30.039 30.300 0.057 0.000 0.856 364 R HN 0.408 nan 8.270 nan 0.000 0.436 365 R N 1.529 122.095 120.500 0.111 0.000 2.073 365 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 365 R C 1.856 178.276 176.300 0.201 0.000 1.134 365 R CA 1.733 57.913 56.100 0.134 0.000 0.952 365 R CB -0.135 30.232 30.300 0.112 0.000 0.850 365 R HN 0.321 nan 8.270 nan 0.000 0.433 366 E N -0.453 119.889 120.200 0.237 0.000 2.150 366 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 366 E C 2.001 178.869 176.600 0.445 0.000 0.985 366 E CA 1.362 58.014 56.400 0.420 0.000 0.814 366 E CB -0.135 29.745 29.700 0.300 0.000 0.752 366 E HN 0.384 nan 8.360 nan 0.000 0.466 367 I N 0.925 121.690 120.570 0.326 0.000 2.163 367 I HA -0.246 3.924 4.170 -0.000 0.000 0.240 367 I C 2.403 178.650 176.117 0.217 0.000 1.081 367 I CA 1.033 62.519 61.300 0.310 0.000 1.353 367 I CB -0.188 38.004 38.000 0.320 0.000 1.054 367 I HN 0.051 nan 8.210 nan 0.000 0.407 368 I N 0.108 120.782 120.570 0.174 0.000 2.264 368 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 368 I C 2.507 178.690 176.117 0.110 0.000 1.111 368 I CA 1.122 62.493 61.300 0.118 0.000 1.382 368 I CB -0.271 37.786 38.000 0.095 0.000 1.060 368 I HN 0.035 nan 8.210 nan 0.000 0.418 369 V N 0.456 120.456 119.914 0.143 0.000 2.261 369 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 369 V C 2.501 178.627 176.094 0.054 0.000 1.047 369 V CA 2.574 64.942 62.300 0.112 0.000 1.015 369 V CB -0.923 31.009 31.823 0.181 0.000 0.642 369 V HN 0.472 nan 8.190 nan 0.000 0.446 370 T N 0.638 115.222 114.554 0.050 0.000 2.684 370 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 370 T C 1.869 176.586 174.700 0.029 0.000 1.036 370 T CA 1.785 63.884 62.100 -0.002 0.000 1.148 370 T CB -0.349 68.585 68.868 0.110 0.000 0.863 370 T HN 0.301 nan 8.240 nan 0.000 0.436 371 L N 0.570 121.827 121.223 0.055 0.000 2.017 371 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 371 L C 2.780 179.686 176.870 0.060 0.000 1.073 371 L CA 1.434 56.303 54.840 0.048 0.000 0.745 371 L CB -0.555 41.532 42.059 0.046 0.000 0.894 371 L HN 0.195 nan 8.230 nan 0.000 0.432 372 K N -0.000 120.428 120.400 0.048 0.000 2.026 372 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 372 K C 2.060 178.674 176.600 0.024 0.000 1.048 372 K CA 1.325 57.634 56.287 0.036 0.000 0.929 372 K CB 0.138 32.658 32.500 0.032 0.000 0.713 372 K HN 0.219 nan 8.250 nan 0.000 0.439 373 E N -0.063 120.146 120.200 0.016 0.000 2.107 373 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 373 E C 1.704 178.273 176.600 -0.051 0.000 0.982 373 E CA 0.615 57.001 56.400 -0.023 0.000 0.809 373 E CB -0.320 29.360 29.700 -0.033 0.000 0.756 373 E HN 0.510 nan 8.360 nan 0.000 0.459 374 W N 1.605 122.766 121.300 -0.232 0.000 2.379 374 W HA -0.078 4.582 4.660 0.000 0.000 0.307 374 W C 1.810 178.168 176.519 -0.269 0.000 1.200 374 W CA 0.881 58.026 57.345 -0.333 0.000 1.297 374 W CB -0.296 28.907 29.460 -0.428 0.000 1.140 374 W HN 0.015 nan 8.180 nan 0.000 0.507 375 L N 0.287 121.583 121.223 0.121 0.000 2.191 375 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 375 L C 2.325 179.187 176.870 -0.013 0.000 1.103 375 L CA 1.602 56.499 54.840 0.095 0.000 0.769 375 L CB -1.164 40.973 42.059 0.130 0.000 0.908 375 L HN -0.094 nan 8.230 nan 0.000 0.438 376 T N -0.630 113.891 114.554 -0.054 0.000 2.732 376 T HA -0.121 4.229 4.350 -0.000 0.000 0.261 376 T C 2.062 176.686 174.700 -0.128 0.000 1.040 376 T CA 1.217 63.275 62.100 -0.071 0.000 1.145 376 T CB -0.001 68.830 68.868 -0.062 0.000 0.866 376 T HN 0.334 nan 8.240 nan 0.000 0.427 377 R N 0.211 120.577 120.500 -0.224 0.000 2.066 377 R HA 0.257 4.597 4.340 -0.000 0.000 0.224 377 R C 0.580 176.651 176.300 -0.380 0.000 1.122 377 R CA 0.776 56.698 56.100 -0.295 0.000 0.974 377 R CB 0.070 30.142 30.300 -0.380 0.000 0.871 377 R HN 0.319 nan 8.270 nan 0.000 0.435 378 I N 2.677 122.901 120.570 -0.577 0.000 2.621 378 I HA 0.176 4.346 4.170 -0.000 0.000 0.276 378 I C -1.868 174.096 176.117 -0.255 0.000 1.118 378 I CA -1.726 59.182 61.300 -0.653 0.000 1.159 378 I CB 1.896 39.031 38.000 -1.441 0.000 1.357 378 I HN -0.069 nan 8.210 nan 0.000 0.513 379 P HA -0.052 nan 4.420 nan 0.000 0.222 379 P C 0.075 177.508 177.300 0.222 0.000 1.153 379 P CA 1.096 64.256 63.100 0.100 0.000 0.798 379 P CB 0.409 32.134 31.700 0.041 0.000 0.796 380 D N -0.385 120.146 120.400 0.217 0.000 2.549 380 D HA 0.462 5.102 4.640 -0.000 0.000 0.251 380 D C -1.054 175.475 176.300 0.382 0.000 1.153 380 D CA -0.579 53.553 54.000 0.220 0.000 0.861 380 D CB 0.876 41.749 40.800 0.123 0.000 1.207 380 D HN -0.126 nan 8.370 nan 0.000 0.543 381 F N 1.028 121.042 119.950 0.107 0.000 2.686 381 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 381 F C -1.101 174.773 175.800 0.122 0.000 1.128 381 F CA -1.146 56.975 58.000 0.202 0.000 0.946 381 F CB 0.847 39.992 39.000 0.241 0.000 1.336 381 F HN 0.167 nan 8.300 nan 0.000 0.457 382 S N 0.661 116.468 115.700 0.178 0.000 2.625 382 S HA 0.767 5.237 4.470 -0.000 0.000 0.271 382 S C -1.124 173.552 174.600 0.126 0.000 1.161 382 S CA -1.019 57.186 58.200 0.008 0.000 0.820 382 S CB 1.388 64.585 63.200 -0.006 0.000 1.137 382 S HN 0.841 nan 8.310 nan 0.000 0.470 383 I N 1.813 122.410 120.570 0.044 0.000 2.696 383 I HA 0.436 4.606 4.170 -0.000 0.000 0.284 383 I C 1.102 177.260 176.117 0.068 0.000 1.129 383 I CA -0.332 61.009 61.300 0.068 0.000 1.410 383 I CB 0.763 38.775 38.000 0.021 0.000 1.399 383 I HN 0.924 nan 8.210 nan 0.000 0.579 384 A N 7.100 129.964 122.820 0.074 0.000 2.498 384 A HA 0.316 4.636 4.320 -0.000 0.000 0.239 384 A C -2.304 175.299 177.584 0.031 0.000 1.068 384 A CA -0.996 51.071 52.037 0.050 0.000 0.766 384 A CB -0.605 18.421 19.000 0.044 0.000 1.003 384 A HN 0.427 nan 8.150 nan 0.000 0.497 385 P HA 0.274 nan 4.420 nan 0.000 0.267 385 P C 0.922 178.229 177.300 0.012 0.000 1.209 385 P CA 1.814 64.922 63.100 0.014 0.000 0.763 385 P CB 0.669 32.375 31.700 0.010 0.000 0.816 386 G N 2.300 111.107 108.800 0.011 0.000 2.143 386 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.248 386 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.248 386 G C 0.353 175.261 174.900 0.014 0.000 0.991 386 G CA -0.059 45.047 45.100 0.010 0.000 0.689 386 G HN 0.826 nan 8.290 nan 0.000 0.522 387 A N -0.253 122.577 122.820 0.017 0.000 2.328 387 A HA 0.723 5.043 4.320 -0.000 0.000 0.284 387 A C 0.388 177.983 177.584 0.018 0.000 1.160 387 A CA -0.037 52.014 52.037 0.023 0.000 0.818 387 A CB 0.584 19.603 19.000 0.033 0.000 1.087 387 A HN 0.418 nan 8.150 nan 0.000 0.504 388 Q N 2.343 122.153 119.800 0.018 0.000 2.425 388 Q HA 0.284 4.624 4.340 -0.000 0.000 0.254 388 Q C -0.820 175.189 176.000 0.014 0.000 1.032 388 Q CA -0.692 55.117 55.803 0.011 0.000 0.798 388 Q CB 1.170 29.913 28.738 0.008 0.000 1.210 388 Q HN 0.644 nan 8.270 nan 0.000 0.491 389 I N 2.945 123.521 120.570 0.010 0.000 2.587 389 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 389 I C 0.360 176.474 176.117 -0.006 0.000 1.134 389 I CA 0.556 61.869 61.300 0.023 0.000 1.410 389 I CB 0.330 38.354 38.000 0.040 0.000 1.392 389 I HN 0.502 nan 8.210 nan 0.000 0.545 390 Q N 5.590 125.419 119.800 0.047 0.000 2.316 390 Q HA 0.414 4.754 4.340 -0.000 0.000 0.264 390 Q C -0.708 175.404 176.000 0.187 0.000 0.987 390 Q CA -0.545 55.288 55.803 0.051 0.000 0.852 390 Q CB 2.163 30.933 28.738 0.052 0.000 1.287 390 Q HN 0.589 nan 8.270 nan 0.000 0.448 391 H N 0.585 119.726 119.070 0.118 0.000 2.523 391 H HA 0.509 5.065 4.556 -0.000 0.000 0.345 391 H C -0.453 174.965 175.328 0.150 0.000 1.261 391 H CA -0.960 55.191 56.048 0.171 0.000 1.343 391 H CB 1.181 31.123 29.762 0.300 0.000 1.650 391 H HN 0.120 nan 8.280 nan 0.000 0.591 392 K N 0.752 121.343 120.400 0.319 0.000 2.464 392 K HA 0.322 4.642 4.320 -0.000 0.000 0.253 392 K C -0.996 175.756 176.600 0.254 0.000 0.933 392 K CA -0.561 55.862 56.287 0.226 0.000 0.801 392 K CB 2.846 35.441 32.500 0.159 0.000 1.271 392 K HN 0.484 nan 8.250 nan 0.000 0.430 393 S N 0.184 116.028 115.700 0.241 0.000 2.578 393 S HA 0.913 5.383 4.470 -0.000 0.000 0.301 393 S C -0.238 174.487 174.600 0.208 0.000 1.091 393 S CA 0.108 58.471 58.200 0.271 0.000 1.032 393 S CB 1.388 64.807 63.200 0.365 0.000 1.064 393 S HN 0.856 nan 8.310 nan 0.000 0.508 394 G N 2.069 110.949 108.800 0.132 0.000 2.360 394 G HA2 0.172 4.132 3.960 -0.000 0.000 0.276 394 G HA3 0.172 4.132 3.960 -0.000 0.000 0.276 394 G C 0.272 175.120 174.900 -0.088 0.000 1.256 394 G CA -0.249 44.844 45.100 -0.011 0.000 0.890 394 G HN 0.560 nan 8.290 nan 0.000 0.486 395 I N -0.039 120.467 120.570 -0.107 0.000 2.208 395 I HA 0.003 4.173 4.170 -0.000 0.000 0.245 395 I C 0.905 176.932 176.117 -0.149 0.000 1.097 395 I CA 1.565 62.725 61.300 -0.233 0.000 1.363 395 I CB -1.029 36.698 38.000 -0.455 0.000 1.051 395 I HN 0.070 nan 8.210 nan 0.000 0.413 396 V N 0.878 120.768 119.914 -0.040 0.000 2.531 396 V HA 0.330 4.449 4.120 -0.000 0.000 0.301 396 V C 0.041 176.169 176.094 0.056 0.000 1.034 396 V CA -0.606 61.693 62.300 -0.001 0.000 0.865 396 V CB 1.832 33.676 31.823 0.035 0.000 0.995 396 V HN 0.098 nan 8.190 nan 0.000 0.424 397 S N 2.152 117.905 115.700 0.089 0.000 2.646 397 S HA 0.877 5.347 4.470 -0.000 0.000 0.276 397 S C 0.387 175.157 174.600 0.283 0.000 1.222 397 S CA -0.093 58.228 58.200 0.202 0.000 1.014 397 S CB 1.813 65.134 63.200 0.201 0.000 0.991 397 S HN 1.149 nan 8.310 nan 0.000 0.533 398 G N -0.207 108.717 108.800 0.206 0.000 2.766 398 G HA2 0.622 4.582 3.960 -0.000 0.000 0.288 398 G HA3 0.622 4.582 3.960 -0.000 0.000 0.288 398 G C -1.590 173.170 174.900 -0.235 0.000 1.408 398 G CA -0.563 44.476 45.100 -0.101 0.000 0.852 398 G HN 0.609 nan 8.290 nan 0.000 0.487 399 V N 0.305 119.973 119.914 -0.410 0.000 2.483 399 V HA 0.316 4.436 4.120 -0.000 0.000 0.295 399 V C 1.235 177.301 176.094 -0.047 0.000 1.035 399 V CA -0.347 61.833 62.300 -0.200 0.000 0.896 399 V CB 1.509 33.133 31.823 -0.333 0.000 0.986 399 V HN 0.963 nan 8.190 nan 0.000 0.447 400 Q N 3.142 122.969 119.800 0.044 0.000 2.083 400 Q HA 0.211 4.551 4.340 -0.000 0.000 0.198 400 Q C 0.574 176.597 176.000 0.038 0.000 0.969 400 Q CA 1.435 57.264 55.803 0.045 0.000 0.838 400 Q CB 0.339 29.116 28.738 0.065 0.000 0.900 400 Q HN 0.957 nan 8.270 nan 0.000 0.436 401 A N -0.111 122.736 122.820 0.045 0.000 2.604 401 A HA 0.546 4.866 4.320 -0.000 0.000 0.295 401 A C -2.000 175.624 177.584 0.067 0.000 1.067 401 A CA -0.676 51.394 52.037 0.056 0.000 0.683 401 A CB 1.531 20.565 19.000 0.056 0.000 1.281 401 A HN 0.200 nan 8.150 nan 0.000 0.407 402 L N 2.018 123.299 121.223 0.097 0.000 2.470 402 L HA 0.506 4.846 4.340 -0.000 0.000 0.253 402 L C -2.790 174.170 176.870 0.150 0.000 1.163 402 L CA -1.522 53.382 54.840 0.107 0.000 0.932 402 L CB 1.446 43.558 42.059 0.089 0.000 1.213 402 L HN 0.305 nan 8.230 nan 0.000 0.485 403 P HA 0.212 nan 4.420 nan 0.000 0.269 403 P C -0.956 176.438 177.300 0.156 0.000 1.252 403 P CA 0.463 63.637 63.100 0.124 0.000 0.780 403 P CB 0.416 32.164 31.700 0.080 0.000 0.829 404 L N 3.948 125.313 121.223 0.236 0.000 2.330 404 L HA 0.774 5.114 4.340 -0.000 0.000 0.271 404 L C 0.310 177.338 176.870 0.264 0.000 1.013 404 L CA -1.221 53.827 54.840 0.346 0.000 0.816 404 L CB 1.916 44.308 42.059 0.555 0.000 1.287 404 L HN 0.118 nan 8.230 nan 0.000 0.435 405 V N -1.334 118.751 119.914 0.285 0.000 3.007 405 V HA 0.823 4.943 4.120 -0.000 0.000 0.311 405 V C -1.569 174.725 176.094 0.333 0.000 1.120 405 V CA -0.587 61.752 62.300 0.065 0.000 0.980 405 V CB 1.760 33.588 31.823 0.008 0.000 1.033 405 V HN 0.995 nan 8.190 nan 0.000 0.429 406 W N 0.773 122.143 121.300 0.117 0.000 3.059 406 W HA 0.750 5.410 4.660 -0.000 0.000 0.329 406 W C -1.807 174.748 176.519 0.060 0.000 1.246 406 W CA -0.644 56.770 57.345 0.114 0.000 1.190 406 W CB 0.857 30.412 29.460 0.158 0.000 1.423 406 W HN 0.717 nan 8.180 nan 0.000 0.571 407 D N 1.652 122.224 120.400 0.287 0.000 2.249 407 D HA 0.382 5.022 4.640 -0.000 0.000 0.246 407 D C -1.638 174.820 176.300 0.262 0.000 1.114 407 D CA -2.478 51.609 54.000 0.146 0.000 0.854 407 D CB 2.282 43.148 40.800 0.110 0.000 1.132 407 D HN 0.090 nan 8.370 nan 0.000 0.461 408 P HA -0.012 nan 4.420 nan 0.000 0.221 408 P C 0.796 178.170 177.300 0.124 0.000 1.150 408 P CA 0.935 64.144 63.100 0.181 0.000 0.800 408 P CB 0.230 31.974 31.700 0.074 0.000 0.787 409 A N -0.441 122.431 122.820 0.087 0.000 2.121 409 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 409 A C 1.963 179.582 177.584 0.059 0.000 1.154 409 A CA 1.974 54.046 52.037 0.058 0.000 0.679 409 A CB -1.546 17.479 19.000 0.041 0.000 0.795 409 A HN 0.334 nan 8.150 nan 0.000 0.458 410 T N -2.761 111.845 114.554 0.086 0.000 3.069 410 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 410 T C 0.851 175.575 174.700 0.040 0.000 1.053 410 T CA 0.604 62.744 62.100 0.066 0.000 0.964 410 T CB -0.794 68.128 68.868 0.090 0.000 1.005 410 T HN 0.473 nan 8.240 nan 0.000 0.532 411 T N 0.265 114.844 114.554 0.041 0.000 2.788 411 T HA 0.522 4.872 4.350 -0.000 0.000 0.280 411 T C -0.511 174.164 174.700 -0.041 0.000 0.984 411 T CA -0.798 61.281 62.100 -0.036 0.000 0.972 411 T CB 1.005 69.850 68.868 -0.039 0.000 1.039 411 T HN 0.252 nan 8.240 nan 0.000 0.530 412 K N 0.622 120.972 120.400 -0.082 0.000 2.507 412 K HA 0.603 4.923 4.320 -0.000 0.000 0.252 412 K C -0.709 175.843 176.600 -0.080 0.000 0.943 412 K CA -0.827 55.422 56.287 -0.064 0.000 0.808 412 K CB 2.218 34.683 32.500 -0.058 0.000 1.142 412 K HN 0.844 nan 8.250 nan 0.000 0.426 413 A N 2.723 125.510 122.820 -0.055 0.000 2.388 413 A HA 0.536 4.856 4.320 -0.000 0.000 0.257 413 A C -0.004 177.550 177.584 -0.049 0.000 1.095 413 A CA -0.275 51.729 52.037 -0.055 0.000 0.791 413 A CB 0.491 19.470 19.000 -0.034 0.000 1.029 413 A HN 0.432 nan 8.150 nan 0.000 0.489 414 V N 0.000 119.883 119.914 -0.052 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 414 V CA 0.000 62.276 62.300 -0.039 0.000 1.235 414 V CB 0.000 31.797 31.823 -0.044 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556