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 2p8u_1_B DATA FIRST_RESID 9 DATA SEQUENCE NLYFQSMDVG IVALEIYFPS QYVDQAELEK YDGVDAGKYT IGLGQAKMGF DATA SEQUENCE CTDREDINSL CMTVVQNLME RNNLSYDCIG RLEVGTETII DKSKSVKTNL DATA SEQUENCE MQLFEESGNT DIEGIDTTNA XYGGTAAVFN AVNWIESSSW DGRYALVVAG DATA SEQUENCE DIAVYATGNA RPTGGVGAVA LLIGPNAPLI FERGLRGTHM QHAYDFYKPD DATA SEQUENCE MLSEYPIVDG KLSIQCYLSA LDRCYSVYCK KIHAQWQKEG NDKDFTLNDF DATA SEQUENCE GFMIFHSPYC KLVQKSLARM LLNDFLNDQN RDKNSIYSGL EAFGDVKLED DATA SEQUENCE TYFDRDVEKA FMKASSELFS QKTKASLLVS NQNGNMYTSS VYGSLASVLA DATA SEQUENCE QYSPQQLAGK RIGVFSYGSG LAATLYSLKV TQDATPGSAL DKITASLCDL DATA SEQUENCE KSRLDSRTGV APDVFAENMK LREDTHHLVN YIPQGSIDSL FEGTWYLVRV DATA SEQUENCE DEKHRRTYAR RP 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.498 175.510 -0.020 0.000 1.280 9 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 9 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 10 L N 0.153 121.325 121.223 -0.085 0.000 2.416 10 L HA 0.617 4.957 4.340 -0.000 0.000 0.216 10 L C 2.779 179.594 176.870 -0.091 0.000 1.098 10 L CA 1.892 56.701 54.840 -0.052 0.000 0.840 10 L CB -2.309 39.726 42.059 -0.040 0.000 0.981 10 L HN 1.236 nan 8.230 nan 0.000 0.462 11 Y N -1.014 119.152 120.300 -0.222 0.000 2.097 11 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 11 Y C 2.436 178.235 175.900 -0.168 0.000 1.152 11 Y CA 1.978 59.919 58.100 -0.264 0.000 1.136 11 Y CB -1.360 36.821 38.460 -0.465 0.000 0.975 11 Y HN 0.467 nan 8.280 nan 0.000 0.498 12 F N -0.024 119.912 119.950 -0.022 0.000 2.216 12 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 12 F C 2.709 178.500 175.800 -0.016 0.000 1.085 12 F CA 1.488 59.468 58.000 -0.034 0.000 1.326 12 F CB -0.341 38.638 39.000 -0.035 0.000 1.027 12 F HN 0.309 nan 8.300 nan 0.000 0.497 13 Q N 0.480 120.371 119.800 0.151 0.000 2.084 13 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 13 Q C 2.191 178.235 176.000 0.073 0.000 0.978 13 Q CA 1.802 57.666 55.803 0.102 0.000 0.844 13 Q CB -0.065 28.717 28.738 0.073 0.000 0.898 13 Q HN 0.317 nan 8.270 nan 0.000 0.426 14 S N 0.360 116.090 115.700 0.050 0.000 2.399 14 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 14 S C 1.849 176.478 174.600 0.049 0.000 1.022 14 S CA 1.174 59.399 58.200 0.041 0.000 0.983 14 S CB -0.109 63.105 63.200 0.025 0.000 0.803 14 S HN 0.407 nan 8.310 nan 0.000 0.480 15 M N 0.841 120.471 119.600 0.051 0.000 2.200 15 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 15 M C -0.127 176.195 176.300 0.038 0.000 1.066 15 M CA 0.792 56.108 55.300 0.026 0.000 1.127 15 M CB -0.515 32.077 32.600 -0.014 0.000 1.379 15 M HN 0.034 nan 8.290 nan 0.000 0.420 16 D N 1.304 121.741 120.400 0.062 0.000 2.697 16 D HA -0.110 4.530 4.640 -0.000 0.000 0.238 16 D C -0.837 175.515 176.300 0.086 0.000 1.152 16 D CA 0.277 54.324 54.000 0.078 0.000 0.666 16 D CB -1.306 39.537 40.800 0.073 0.000 1.037 16 D HN 0.075 nan 8.370 nan 0.000 0.423 17 V N -0.188 119.776 119.914 0.084 0.000 2.529 17 V HA 0.543 4.663 4.120 -0.000 0.000 0.292 17 V C 1.507 177.773 176.094 0.287 0.000 1.028 17 V CA 1.099 63.464 62.300 0.107 0.000 1.074 17 V CB 1.358 33.188 31.823 0.010 0.000 0.958 17 V HN 0.473 nan 8.190 nan 0.000 0.481 18 G N 4.078 113.047 108.800 0.281 0.000 2.561 18 G HA2 0.550 4.510 3.960 -0.000 0.000 0.310 18 G HA3 0.550 4.510 3.960 -0.000 0.000 0.310 18 G C -1.309 173.722 174.900 0.219 0.000 1.292 18 G CA -1.012 44.239 45.100 0.251 0.000 0.811 18 G HN 0.527 nan 8.290 nan 0.000 0.482 19 I N 1.346 121.951 120.570 0.057 0.000 2.352 19 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 19 I C 1.003 177.144 176.117 0.041 0.000 1.036 19 I CA -0.343 60.996 61.300 0.065 0.000 1.336 19 I CB 1.653 39.658 38.000 0.010 0.000 1.407 19 I HN 0.173 nan 8.210 nan 0.000 0.497 20 V N 5.839 125.780 119.914 0.045 0.000 2.949 20 V HA 0.274 4.394 4.120 -0.000 0.000 0.245 20 V C 0.757 176.838 176.094 -0.021 0.000 1.086 20 V CA 0.782 63.096 62.300 0.023 0.000 1.097 20 V CB 0.236 32.078 31.823 0.031 0.000 0.762 20 V HN 0.824 nan 8.190 nan 0.000 0.470 21 A N -0.146 122.649 122.820 -0.042 0.000 2.549 21 A HA 0.802 5.122 4.320 -0.000 0.000 0.297 21 A C -1.593 175.974 177.584 -0.029 0.000 1.061 21 A CA -0.343 51.665 52.037 -0.048 0.000 0.690 21 A CB 2.010 20.955 19.000 -0.092 0.000 1.287 21 A HN 0.177 nan 8.150 nan 0.000 0.402 22 L N 1.064 122.278 121.223 -0.015 0.000 2.439 22 L HA 0.728 5.068 4.340 -0.000 0.000 0.270 22 L C -1.059 175.817 176.870 0.009 0.000 0.972 22 L CA -0.346 54.497 54.840 0.005 0.000 0.836 22 L CB 1.828 43.904 42.059 0.028 0.000 1.255 22 L HN 0.851 nan 8.230 nan 0.000 0.404 23 E N 4.679 124.887 120.200 0.014 0.000 2.187 23 E HA 0.547 4.897 4.350 -0.000 0.000 0.268 23 E C -1.645 174.987 176.600 0.052 0.000 0.896 23 E CA -0.369 56.043 56.400 0.020 0.000 0.766 23 E CB 2.106 31.810 29.700 0.007 0.000 1.142 23 E HN 0.596 nan 8.360 nan 0.000 0.408 24 I N 4.372 124.976 120.570 0.056 0.000 2.569 24 I HA 0.533 4.703 4.170 -0.000 0.000 0.296 24 I C -1.755 174.382 176.117 0.033 0.000 1.028 24 I CA -1.067 60.288 61.300 0.092 0.000 1.082 24 I CB 1.037 39.123 38.000 0.144 0.000 1.264 24 I HN 0.677 nan 8.210 nan 0.000 0.429 25 Y N 7.970 128.243 120.300 -0.046 0.000 2.442 25 Y HA 0.678 5.228 4.550 -0.000 0.000 0.344 25 Y C -1.737 174.148 175.900 -0.026 0.000 0.976 25 Y CA -1.114 56.885 58.100 -0.170 0.000 1.040 25 Y CB 1.490 39.921 38.460 -0.049 0.000 1.228 25 Y HN 0.449 nan 8.280 nan 0.000 0.451 26 F N 4.333 123.720 119.950 -0.938 0.000 2.613 26 F HA 0.880 5.407 4.527 -0.000 0.000 0.310 26 F C -3.104 172.235 175.800 -0.767 0.000 1.085 26 F CA -3.196 54.403 58.000 -0.669 0.000 0.945 26 F CB 0.788 39.657 39.000 -0.217 0.000 1.298 26 F HN 0.223 nan 8.300 nan 0.000 0.455 27 P HA 0.153 nan 4.420 nan 0.000 0.273 27 P C 0.373 177.692 177.300 0.031 0.000 1.250 27 P CA -0.255 62.822 63.100 -0.038 0.000 0.793 27 P CB 0.762 32.452 31.700 -0.017 0.000 1.011 28 S N -1.932 113.574 115.700 -0.323 0.000 2.605 28 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 28 S C 0.475 174.920 174.600 -0.259 0.000 0.958 28 S CA -0.222 57.630 58.200 -0.581 0.000 0.919 28 S CB -0.592 61.925 63.200 -1.139 0.000 0.780 28 S HN 0.545 nan 8.310 nan 0.000 0.507 29 Q N 0.289 119.938 119.800 -0.252 0.000 2.421 29 Q HA 0.549 4.889 4.340 -0.000 0.000 0.280 29 Q C -1.320 174.525 176.000 -0.259 0.000 1.085 29 Q CA -1.055 54.552 55.803 -0.326 0.000 0.807 29 Q CB 1.364 29.801 28.738 -0.501 0.000 1.405 29 Q HN 0.466 nan 8.270 nan 0.000 0.419 30 Y N -1.973 118.278 120.300 -0.082 0.000 2.615 30 Y HA 0.773 5.323 4.550 -0.000 0.000 0.341 30 Y C -1.492 174.557 175.900 0.248 0.000 1.089 30 Y CA -1.437 56.720 58.100 0.094 0.000 1.049 30 Y CB 1.399 39.864 38.460 0.007 0.000 1.296 30 Y HN 0.450 nan 8.280 nan 0.000 0.470 31 V N 2.537 122.629 119.914 0.297 0.000 2.435 31 V HA 0.283 4.403 4.120 -0.000 0.000 0.290 31 V C -0.550 175.627 176.094 0.139 0.000 1.030 31 V CA -0.527 61.764 62.300 -0.014 0.000 0.881 31 V CB 1.239 32.694 31.823 -0.612 0.000 0.983 31 V HN 0.960 nan 8.190 nan 0.000 0.445 32 D N 4.882 125.379 120.400 0.163 0.000 2.351 32 D HA 0.118 4.758 4.640 -0.000 0.000 0.251 32 D C 0.713 177.051 176.300 0.064 0.000 1.137 32 D CA -0.246 53.859 54.000 0.174 0.000 0.879 32 D CB 1.648 42.560 40.800 0.186 0.000 1.181 32 D HN 0.630 nan 8.370 nan 0.000 0.448 33 Q N 2.777 122.611 119.800 0.057 0.000 2.119 33 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 33 Q C 1.849 177.931 176.000 0.137 0.000 0.972 33 Q CA 1.032 56.893 55.803 0.096 0.000 0.847 33 Q CB -0.158 28.633 28.738 0.088 0.000 0.903 33 Q HN 0.664 nan 8.270 nan 0.000 0.433 34 A N 1.319 124.186 122.820 0.078 0.000 1.933 34 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 34 A C 1.967 179.583 177.584 0.053 0.000 1.175 34 A CA 1.234 53.300 52.037 0.047 0.000 0.628 34 A CB -0.183 18.835 19.000 0.030 0.000 0.814 34 A HN 0.185 nan 8.150 nan 0.000 0.444 35 E N -0.488 119.751 120.200 0.066 0.000 2.072 35 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 35 E C 1.955 178.622 176.600 0.111 0.000 0.985 35 E CA 0.918 57.361 56.400 0.071 0.000 0.801 35 E CB -0.554 29.178 29.700 0.052 0.000 0.750 35 E HN 0.501 nan 8.360 nan 0.000 0.452 36 L N 1.837 123.131 121.223 0.118 0.000 2.083 36 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 36 L C 1.961 179.015 176.870 0.307 0.000 1.083 36 L CA 1.698 56.660 54.840 0.203 0.000 0.752 36 L CB -0.289 41.847 42.059 0.128 0.000 0.899 36 L HN 0.064 nan 8.230 nan 0.000 0.433 37 E N -0.602 119.703 120.200 0.176 0.000 2.058 37 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 37 E C 2.146 178.731 176.600 -0.025 0.000 0.997 37 E CA 1.695 58.030 56.400 -0.109 0.000 0.801 37 E CB -0.135 29.416 29.700 -0.248 0.000 0.746 37 E HN 0.499 nan 8.360 nan 0.000 0.450 38 K N 0.051 120.469 120.400 0.030 0.000 2.032 38 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 38 K C 2.184 178.828 176.600 0.073 0.000 1.048 38 K CA 1.504 57.813 56.287 0.036 0.000 0.927 38 K CB -0.362 32.170 32.500 0.054 0.000 0.712 38 K HN 0.156 nan 8.250 nan 0.000 0.441 39 Y N 2.363 122.679 120.300 0.027 0.000 2.165 39 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 39 Y C 1.466 177.394 175.900 0.046 0.000 1.155 39 Y CA 1.713 59.839 58.100 0.042 0.000 1.164 39 Y CB -0.047 38.453 38.460 0.067 0.000 0.978 39 Y HN 0.077 nan 8.280 nan 0.000 0.513 40 D N -0.487 119.979 120.400 0.110 0.000 2.363 40 D HA 0.078 4.718 4.640 -0.000 0.000 0.220 40 D C 1.585 177.855 176.300 -0.049 0.000 0.994 40 D CA 1.175 55.198 54.000 0.039 0.000 0.890 40 D CB -0.472 40.461 40.800 0.221 0.000 0.906 40 D HN 0.504 nan 8.370 nan 0.000 0.530 41 G N 0.941 109.700 108.800 -0.068 0.000 2.221 41 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.265 41 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.265 41 G C 0.531 175.382 174.900 -0.081 0.000 1.041 41 G CA 0.623 45.676 45.100 -0.078 0.000 0.807 41 G HN 0.409 nan 8.290 nan 0.000 0.502 42 V N -3.469 116.377 119.914 -0.114 0.000 3.109 42 V HA 0.783 4.903 4.120 -0.000 0.000 0.317 42 V C 0.477 176.471 176.094 -0.166 0.000 1.074 42 V CA -1.442 60.764 62.300 -0.156 0.000 1.033 42 V CB 1.427 33.096 31.823 -0.256 0.000 1.111 42 V HN 0.067 nan 8.190 nan 0.000 0.458 43 D N 1.614 121.924 120.400 -0.151 0.000 2.414 43 D HA 0.438 5.078 4.640 -0.000 0.000 0.242 43 D C 0.566 176.774 176.300 -0.154 0.000 1.129 43 D CA 0.788 54.714 54.000 -0.123 0.000 0.885 43 D CB 1.182 41.925 40.800 -0.095 0.000 1.198 43 D HN 1.122 nan 8.370 nan 0.000 0.437 44 A N 1.193 123.945 122.820 -0.112 0.000 2.565 44 A HA 0.429 4.749 4.320 -0.000 0.000 0.237 44 A C 1.521 179.043 177.584 -0.103 0.000 1.053 44 A CA 0.689 52.663 52.037 -0.103 0.000 0.755 44 A CB -0.201 18.761 19.000 -0.063 0.000 0.980 44 A HN 0.871 nan 8.150 nan 0.000 0.506 45 G N 1.400 110.136 108.800 -0.106 0.000 2.241 45 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.244 45 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.244 45 G C 1.226 176.074 174.900 -0.087 0.000 0.998 45 G CA 0.920 45.975 45.100 -0.074 0.000 0.621 45 G HN 0.962 nan 8.290 nan 0.000 0.519 46 K N -0.525 119.771 120.400 -0.174 0.000 2.074 46 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 46 K C 2.036 178.633 176.600 -0.006 0.000 1.048 46 K CA 2.226 58.415 56.287 -0.165 0.000 0.926 46 K CB -0.230 32.080 32.500 -0.318 0.000 0.713 46 K HN 0.516 nan 8.250 nan 0.000 0.444 47 Y N -0.241 120.031 120.300 -0.048 0.000 2.301 47 Y HA -0.015 4.535 4.550 -0.000 0.000 0.295 47 Y C 2.721 178.597 175.900 -0.040 0.000 1.126 47 Y CA 1.161 59.227 58.100 -0.056 0.000 1.154 47 Y CB -1.107 37.323 38.460 -0.051 0.000 1.075 47 Y HN 0.209 nan 8.280 nan 0.000 0.534 48 T N -1.709 112.911 114.554 0.109 0.000 2.915 48 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 48 T C 1.726 176.449 174.700 0.037 0.000 1.071 48 T CA 1.538 63.674 62.100 0.059 0.000 1.132 48 T CB -0.456 68.430 68.868 0.030 0.000 0.878 48 T HN 0.289 nan 8.240 nan 0.000 0.479 49 I N 0.360 120.945 120.570 0.025 0.000 3.366 49 I HA 0.317 4.487 4.170 -0.000 0.000 0.267 49 I C 2.956 179.084 176.117 0.019 0.000 1.149 49 I CA 0.391 61.699 61.300 0.014 0.000 1.436 49 I CB -0.617 37.382 38.000 -0.003 0.000 1.379 49 I HN 0.327 nan 8.210 nan 0.000 0.460 50 G N 1.998 110.807 108.800 0.015 0.000 2.514 50 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 50 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 50 G C 1.618 176.531 174.900 0.021 0.000 1.198 50 G CA 0.886 45.993 45.100 0.012 0.000 0.780 50 G HN 0.221 nan 8.290 nan 0.000 0.565 51 L N 0.171 121.408 121.223 0.024 0.000 2.341 51 L HA 0.259 4.599 4.340 -0.000 0.000 0.214 51 L C 2.032 178.979 176.870 0.128 0.000 1.115 51 L CA 0.495 55.343 54.840 0.014 0.000 0.820 51 L CB -0.220 41.780 42.059 -0.098 0.000 0.944 51 L HN 0.447 nan 8.230 nan 0.000 0.452 52 G N 0.313 109.161 108.800 0.080 0.000 2.182 52 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 52 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 52 G C -0.072 174.861 174.900 0.057 0.000 1.042 52 G CA -0.240 44.900 45.100 0.067 0.000 0.775 52 G HN 0.266 nan 8.290 nan 0.000 0.501 53 Q N -1.111 118.719 119.800 0.051 0.000 2.333 53 Q HA 0.765 5.105 4.340 -0.000 0.000 0.267 53 Q C 0.806 176.813 176.000 0.012 0.000 1.012 53 Q CA 0.047 55.864 55.803 0.025 0.000 0.824 53 Q CB 1.807 30.552 28.738 0.012 0.000 1.290 53 Q HN 0.583 nan 8.270 nan 0.000 0.449 54 A N 2.696 125.500 122.820 -0.026 0.000 1.944 54 A HA 0.210 4.530 4.320 -0.000 0.000 0.207 54 A C 0.131 177.673 177.584 -0.070 0.000 1.265 54 A CA 0.781 52.791 52.037 -0.044 0.000 0.712 54 A CB 0.560 19.515 19.000 -0.074 0.000 0.915 54 A HN 0.506 nan 8.150 nan 0.000 0.470 55 K N -1.091 119.237 120.400 -0.120 0.000 2.498 55 K HA 0.574 4.894 4.320 -0.000 0.000 0.254 55 K C -1.482 175.069 176.600 -0.082 0.000 0.933 55 K CA -0.254 55.948 56.287 -0.141 0.000 0.806 55 K CB 2.370 34.573 32.500 -0.496 0.000 1.301 55 K HN 0.277 nan 8.250 nan 0.000 0.432 56 M N 1.823 121.425 119.600 0.004 0.000 2.134 56 M HA 0.369 4.849 4.480 -0.000 0.000 0.310 56 M C -0.312 176.085 176.300 0.162 0.000 0.966 56 M CA -0.383 54.931 55.300 0.023 0.000 0.922 56 M CB 1.403 33.968 32.600 -0.059 0.000 1.537 56 M HN 0.812 nan 8.290 nan 0.000 0.424 57 G N 4.260 113.145 108.800 0.141 0.000 2.491 57 G HA2 0.452 4.412 3.960 -0.000 0.000 0.242 57 G HA3 0.452 4.412 3.960 -0.000 0.000 0.242 57 G C -1.003 174.082 174.900 0.307 0.000 1.266 57 G CA -0.347 44.862 45.100 0.182 0.000 0.844 57 G HN 0.803 nan 8.290 nan 0.000 0.571 58 F N -0.770 119.267 119.950 0.145 0.000 2.662 58 F HA 0.656 5.183 4.527 -0.000 0.000 0.312 58 F C -0.678 175.212 175.800 0.151 0.000 1.113 58 F CA -1.761 56.349 58.000 0.182 0.000 0.951 58 F CB 0.650 39.840 39.000 0.316 0.000 1.344 58 F HN 0.498 nan 8.300 nan 0.000 0.462 59 C N 1.698 121.140 119.300 0.236 0.000 2.358 59 C HA 0.728 5.188 4.460 -0.000 0.000 0.342 59 C C 0.854 175.967 174.990 0.206 0.000 1.234 59 C CA 0.014 59.111 59.018 0.132 0.000 1.969 59 C CB 1.131 28.979 27.740 0.179 0.000 2.346 59 C HN 1.010 nan 8.230 nan 0.000 0.525 60 T N -0.756 113.859 114.554 0.102 0.000 2.732 60 T HA 0.136 4.486 4.350 -0.000 0.000 0.287 60 T C 0.925 175.709 174.700 0.141 0.000 0.993 60 T CA 0.209 62.388 62.100 0.131 0.000 0.966 60 T CB 0.432 69.340 68.868 0.067 0.000 1.047 60 T HN 0.747 nan 8.240 nan 0.000 0.527 61 D N -0.836 119.643 120.400 0.131 0.000 2.392 61 D HA -0.081 4.559 4.640 -0.000 0.000 0.228 61 D C 1.632 178.044 176.300 0.188 0.000 1.003 61 D CA 0.333 54.428 54.000 0.159 0.000 0.917 61 D CB -0.191 40.698 40.800 0.148 0.000 0.890 61 D HN 0.356 nan 8.370 nan 0.000 0.532 62 R N 0.191 120.787 120.500 0.161 0.000 2.276 62 R HA 0.167 4.507 4.340 -0.000 0.000 0.203 62 R C 0.098 176.552 176.300 0.257 0.000 1.017 62 R CA 0.329 56.547 56.100 0.195 0.000 1.010 62 R CB 0.121 30.491 30.300 0.116 0.000 0.900 62 R HN 0.484 nan 8.270 nan 0.000 0.469 63 E N 1.022 121.359 120.200 0.228 0.000 2.266 63 E HA 0.195 4.545 4.350 -0.000 0.000 0.268 63 E C -0.963 175.774 176.600 0.228 0.000 0.879 63 E CA -0.733 55.813 56.400 0.245 0.000 0.762 63 E CB 1.941 31.783 29.700 0.236 0.000 1.199 63 E HN 0.031 nan 8.360 nan 0.000 0.422 64 D N 0.850 121.386 120.400 0.227 0.000 2.744 64 D HA 0.126 4.766 4.640 -0.000 0.000 0.304 64 D C 0.503 176.888 176.300 0.141 0.000 1.179 64 D CA -0.787 53.331 54.000 0.196 0.000 1.024 64 D CB 0.412 41.350 40.800 0.230 0.000 1.453 64 D HN 0.367 nan 8.370 nan 0.000 0.529 65 I N 0.508 121.149 120.570 0.118 0.000 2.264 65 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 65 I C 1.254 177.374 176.117 0.005 0.000 1.111 65 I CA 1.628 62.976 61.300 0.079 0.000 1.382 65 I CB -0.679 37.370 38.000 0.082 0.000 1.060 65 I HN 0.331 nan 8.210 nan 0.000 0.418 66 N N 0.310 118.984 118.700 -0.043 0.000 2.142 66 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 66 N C 2.097 177.390 175.510 -0.361 0.000 1.023 66 N CA 1.805 54.720 53.050 -0.226 0.000 0.852 66 N CB -0.684 37.604 38.487 -0.332 0.000 0.998 66 N HN 0.577 nan 8.380 nan 0.000 0.424 67 S N 1.235 116.760 115.700 -0.293 0.000 2.383 67 S HA 0.009 4.479 4.470 -0.000 0.000 0.227 67 S C 2.189 176.734 174.600 -0.091 0.000 1.026 67 S CA 0.463 58.542 58.200 -0.201 0.000 0.981 67 S CB -0.677 62.574 63.200 0.085 0.000 0.818 67 S HN 0.203 nan 8.310 nan 0.000 0.472 68 L N 0.703 121.918 121.223 -0.013 0.000 2.017 68 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 68 L C 2.923 179.781 176.870 -0.020 0.000 1.073 68 L CA 1.341 56.203 54.840 0.035 0.000 0.745 68 L CB -0.967 41.193 42.059 0.168 0.000 0.894 68 L HN 0.459 nan 8.230 nan 0.000 0.432 69 C N -0.626 118.646 119.300 -0.046 0.000 2.466 69 C HA -0.106 4.354 4.460 -0.000 0.000 0.278 69 C C 2.882 177.806 174.990 -0.111 0.000 1.288 69 C CA 0.492 59.476 59.018 -0.055 0.000 1.722 69 C CB -0.557 27.146 27.740 -0.061 0.000 2.017 69 C HN 0.480 nan 8.230 nan 0.000 0.488 70 M N 0.512 119.976 119.600 -0.226 0.000 2.117 70 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 70 M C 2.181 178.402 176.300 -0.132 0.000 1.065 70 M CA 1.827 56.918 55.300 -0.349 0.000 1.114 70 M CB -0.887 31.221 32.600 -0.819 0.000 1.361 70 M HN 0.408 nan 8.290 nan 0.000 0.408 71 T N 0.077 114.602 114.554 -0.049 0.000 2.708 71 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 71 T C 1.814 176.486 174.700 -0.048 0.000 1.037 71 T CA 1.581 63.670 62.100 -0.018 0.000 1.146 71 T CB -0.398 68.210 68.868 -0.433 0.000 0.865 71 T HN 0.224 nan 8.240 nan 0.000 0.435 72 V N 1.089 120.974 119.914 -0.047 0.000 2.548 72 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 72 V C 2.448 178.555 176.094 0.022 0.000 1.055 72 V CA 1.230 63.546 62.300 0.026 0.000 1.065 72 V CB -0.360 31.516 31.823 0.087 0.000 0.681 72 V HN 0.319 nan 8.190 nan 0.000 0.462 73 V N -0.060 119.864 119.914 0.017 0.000 2.261 73 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 73 V C 2.385 178.503 176.094 0.041 0.000 1.047 73 V CA 2.654 64.974 62.300 0.032 0.000 1.015 73 V CB -0.687 31.174 31.823 0.063 0.000 0.642 73 V HN 0.682 nan 8.190 nan 0.000 0.446 74 Q N -0.125 119.728 119.800 0.087 0.000 2.119 74 Q HA -0.210 4.130 4.340 -0.000 0.000 0.201 74 Q C 2.080 178.126 176.000 0.076 0.000 0.972 74 Q CA 1.734 57.623 55.803 0.144 0.000 0.847 74 Q CB -0.076 28.829 28.738 0.278 0.000 0.903 74 Q HN 0.640 nan 8.270 nan 0.000 0.433 75 N N 0.774 119.505 118.700 0.051 0.000 2.166 75 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 75 N C 1.707 177.214 175.510 -0.006 0.000 1.019 75 N CA 1.023 54.084 53.050 0.019 0.000 0.856 75 N CB -0.341 38.154 38.487 0.013 0.000 0.993 75 N HN 0.303 nan 8.380 nan 0.000 0.426 76 L N 0.123 121.337 121.223 -0.014 0.000 2.017 76 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 76 L C 2.025 178.848 176.870 -0.077 0.000 1.073 76 L CA 1.159 55.973 54.840 -0.044 0.000 0.745 76 L CB -0.127 41.904 42.059 -0.046 0.000 0.894 76 L HN 0.057 nan 8.230 nan 0.000 0.432 77 M N -0.579 118.959 119.600 -0.104 0.000 2.117 77 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 77 M C 2.113 178.346 176.300 -0.112 0.000 1.065 77 M CA 1.695 56.882 55.300 -0.189 0.000 1.114 77 M CB -1.119 31.251 32.600 -0.383 0.000 1.361 77 M HN 0.347 nan 8.290 nan 0.000 0.408 78 E N -0.286 119.888 120.200 -0.045 0.000 2.072 78 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 78 E C 2.189 178.775 176.600 -0.023 0.000 0.982 78 E CA 0.708 57.100 56.400 -0.014 0.000 0.803 78 E CB -0.116 29.591 29.700 0.012 0.000 0.755 78 E HN 0.368 nan 8.360 nan 0.000 0.453 79 R N 0.916 121.399 120.500 -0.028 0.000 2.091 79 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 79 R C 1.328 177.609 176.300 -0.033 0.000 1.136 79 R CA 1.374 57.457 56.100 -0.028 0.000 0.959 79 R CB 0.003 30.285 30.300 -0.030 0.000 0.856 79 R HN 0.132 nan 8.270 nan 0.000 0.437 80 N N 0.788 119.457 118.700 -0.050 0.000 2.336 80 N HA -0.009 4.731 4.740 -0.000 0.000 0.189 80 N C -0.656 174.829 175.510 -0.042 0.000 1.113 80 N CA 0.269 53.286 53.050 -0.055 0.000 0.858 80 N CB 0.203 38.634 38.487 -0.094 0.000 0.970 80 N HN 0.262 nan 8.380 nan 0.000 0.471 81 N N 0.590 119.269 118.700 -0.035 0.000 2.725 81 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 81 N C -1.204 174.292 175.510 -0.022 0.000 1.031 81 N CA 0.294 53.333 53.050 -0.018 0.000 0.720 81 N CB -1.193 37.294 38.487 -0.000 0.000 0.930 81 N HN 0.274 nan 8.380 nan 0.000 0.543 82 L N -0.091 121.092 121.223 -0.067 0.000 2.309 82 L HA 0.465 4.805 4.340 -0.000 0.000 0.282 82 L C 0.805 177.606 176.870 -0.116 0.000 1.036 82 L CA -0.704 54.089 54.840 -0.077 0.000 0.806 82 L CB 1.704 43.683 42.059 -0.133 0.000 1.220 82 L HN 0.170 nan 8.230 nan 0.000 0.429 83 S N 0.976 116.658 115.700 -0.031 0.000 2.565 83 S HA 0.163 4.633 4.470 -0.000 0.000 0.276 83 S C 0.772 175.349 174.600 -0.038 0.000 1.326 83 S CA -0.146 58.063 58.200 0.014 0.000 1.045 83 S CB 0.438 63.681 63.200 0.072 0.000 0.918 83 S HN 0.433 nan 8.310 nan 0.000 0.505 84 Y N 1.749 122.047 120.300 -0.003 0.000 2.497 84 Y HA -0.064 4.486 4.550 -0.000 0.000 0.292 84 Y C 2.040 178.057 175.900 0.196 0.000 1.137 84 Y CA 1.117 59.217 58.100 -0.000 0.000 1.285 84 Y CB -0.123 38.182 38.460 -0.259 0.000 0.991 84 Y HN 0.777 nan 8.280 nan 0.000 0.556 85 D N -1.142 119.405 120.400 0.245 0.000 2.363 85 D HA -0.125 4.515 4.640 -0.000 0.000 0.220 85 D C 1.686 178.086 176.300 0.167 0.000 0.994 85 D CA 0.711 54.828 54.000 0.196 0.000 0.890 85 D CB -1.182 39.697 40.800 0.132 0.000 0.906 85 D HN 0.430 nan 8.370 nan 0.000 0.530 86 C N -0.111 119.295 119.300 0.177 0.000 2.697 86 C HA 0.433 4.893 4.460 -0.000 0.000 0.267 86 C C 0.360 175.512 174.990 0.269 0.000 1.278 86 C CA -0.952 58.179 59.018 0.188 0.000 1.708 86 C CB -1.112 26.759 27.740 0.219 0.000 1.860 86 C HN 0.085 nan 8.230 nan 0.000 0.589 87 I N 2.320 123.054 120.570 0.273 0.000 2.321 87 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 87 I C 1.206 177.423 176.117 0.166 0.000 0.998 87 I CA 0.032 61.491 61.300 0.265 0.000 1.227 87 I CB 0.829 39.009 38.000 0.301 0.000 1.368 87 I HN 0.377 nan 8.210 nan 0.000 0.466 88 G N 6.207 115.122 108.800 0.191 0.000 2.944 88 G HA2 0.122 4.082 3.960 -0.000 0.000 0.220 88 G HA3 0.122 4.082 3.960 -0.000 0.000 0.220 88 G C 0.649 175.381 174.900 -0.280 0.000 1.100 88 G CA -0.121 45.064 45.100 0.142 0.000 0.780 88 G HN 0.482 nan 8.290 nan 0.000 0.539 89 R N -0.315 119.930 120.500 -0.426 0.000 2.564 89 R HA 0.612 4.952 4.340 -0.000 0.000 0.284 89 R C -2.356 173.734 176.300 -0.350 0.000 1.031 89 R CA -0.693 55.007 56.100 -0.667 0.000 0.904 89 R CB 1.890 31.434 30.300 -1.260 0.000 1.199 89 R HN 0.081 nan 8.270 nan 0.000 0.443 90 L N 2.747 123.772 121.223 -0.329 0.000 2.470 90 L HA 0.555 4.895 4.340 -0.000 0.000 0.268 90 L C -1.639 175.101 176.870 -0.216 0.000 0.964 90 L CA -0.078 54.618 54.840 -0.240 0.000 0.839 90 L CB 2.021 43.899 42.059 -0.301 0.000 1.276 90 L HN 0.827 nan 8.230 nan 0.000 0.403 91 E N 3.176 123.277 120.200 -0.166 0.000 2.352 91 E HA 0.682 5.032 4.350 -0.000 0.000 0.280 91 E C -1.989 174.543 176.600 -0.114 0.000 0.930 91 E CA -0.738 55.575 56.400 -0.146 0.000 0.765 91 E CB 2.320 31.924 29.700 -0.160 0.000 1.219 91 E HN 0.422 nan 8.360 nan 0.000 0.434 92 V N 2.655 122.512 119.914 -0.095 0.000 2.417 92 V HA 0.659 4.779 4.120 -0.000 0.000 0.291 92 V C 0.384 176.439 176.094 -0.066 0.000 1.024 92 V CA -0.321 61.937 62.300 -0.071 0.000 0.861 92 V CB 1.552 33.343 31.823 -0.053 0.000 0.985 92 V HN 0.732 nan 8.190 nan 0.000 0.436 93 G N 2.099 110.860 108.800 -0.065 0.000 2.335 93 G HA2 0.604 4.564 3.960 -0.000 0.000 0.316 93 G HA3 0.604 4.564 3.960 -0.000 0.000 0.316 93 G C -0.451 174.446 174.900 -0.004 0.000 1.129 93 G CA -0.218 44.850 45.100 -0.053 0.000 0.899 93 G HN 0.736 nan 8.290 nan 0.000 0.448 94 T N 0.070 114.633 114.554 0.016 0.000 2.786 94 T HA 0.441 4.791 4.350 -0.000 0.000 0.316 94 T C -0.143 174.598 174.700 0.068 0.000 1.503 94 T CA -0.385 61.752 62.100 0.061 0.000 1.019 94 T CB 1.640 70.547 68.868 0.064 0.000 1.415 94 T HN 0.666 nan 8.240 nan 0.000 0.496 95 E N 0.346 120.615 120.200 0.115 0.000 2.758 95 E HA 0.269 4.619 4.350 -0.000 0.000 0.215 95 E C -0.552 176.147 176.600 0.165 0.000 0.985 95 E CA -0.476 55.994 56.400 0.116 0.000 1.102 95 E CB 0.503 30.248 29.700 0.076 0.000 1.042 95 E HN 0.349 nan 8.360 nan 0.000 0.480 96 T N 2.690 117.343 114.554 0.165 0.000 2.891 96 T HA 0.303 4.653 4.350 -0.000 0.000 0.315 96 T C -0.363 174.408 174.700 0.118 0.000 1.054 96 T CA -0.418 61.779 62.100 0.161 0.000 0.958 96 T CB 0.204 69.171 68.868 0.164 0.000 1.008 96 T HN 0.166 nan 8.240 nan 0.000 0.521 97 I N 5.544 126.182 120.570 0.113 0.000 2.330 97 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 97 I C 1.133 177.299 176.117 0.081 0.000 1.025 97 I CA -0.770 60.581 61.300 0.085 0.000 1.197 97 I CB 0.956 39.003 38.000 0.078 0.000 1.358 97 I HN 0.669 nan 8.210 nan 0.000 0.467 98 I N 0.554 121.163 120.570 0.066 0.000 4.018 98 I HA 0.433 4.603 4.170 -0.000 0.000 0.337 98 I C -0.117 176.017 176.117 0.028 0.000 1.327 98 I CA 0.181 61.511 61.300 0.049 0.000 1.100 98 I CB 0.634 38.674 38.000 0.066 0.000 1.025 98 I HN 0.327 nan 8.210 nan 0.000 0.396 99 D N 1.651 122.065 120.400 0.023 0.000 2.966 99 D HA 0.197 4.837 4.640 -0.000 0.000 0.222 99 D C -0.054 176.248 176.300 0.004 0.000 1.292 99 D CA -0.347 53.654 54.000 0.001 0.000 0.907 99 D CB 2.211 43.010 40.800 -0.001 0.000 1.621 99 D HN 0.023 nan 8.370 nan 0.000 0.557 100 K N 0.479 120.876 120.400 -0.004 0.000 2.432 100 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 100 K C 1.559 178.157 176.600 -0.004 0.000 1.038 100 K CA 0.836 57.124 56.287 0.003 0.000 0.986 100 K CB 0.350 32.852 32.500 0.002 0.000 0.782 100 K HN 0.352 nan 8.250 nan 0.000 0.485 101 S N -0.431 115.262 115.700 -0.012 0.000 2.670 101 S HA 0.079 4.549 4.470 -0.000 0.000 0.241 101 S C 0.514 175.104 174.600 -0.016 0.000 1.077 101 S CA -0.455 57.736 58.200 -0.014 0.000 0.899 101 S CB 0.203 63.392 63.200 -0.018 0.000 0.835 101 S HN 0.000 nan 8.310 nan 0.000 0.481 102 K N 3.701 124.091 120.400 -0.016 0.000 2.284 102 K HA 0.361 4.681 4.320 -0.000 0.000 0.287 102 K C -0.119 176.471 176.600 -0.016 0.000 1.081 102 K CA -0.191 56.086 56.287 -0.017 0.000 0.910 102 K CB 0.716 33.208 32.500 -0.013 0.000 1.088 102 K HN 0.477 nan 8.250 nan 0.000 0.478 103 S N 2.112 117.796 115.700 -0.026 0.000 2.585 103 S HA 0.020 4.490 4.470 -0.000 0.000 0.273 103 S C 1.448 176.027 174.600 -0.036 0.000 1.339 103 S CA -0.936 57.245 58.200 -0.031 0.000 1.028 103 S CB 1.470 64.644 63.200 -0.044 0.000 0.906 103 S HN 0.389 nan 8.310 nan 0.000 0.528 104 V N 2.328 122.220 119.914 -0.036 0.000 2.392 104 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 104 V C 2.850 178.901 176.094 -0.072 0.000 1.059 104 V CA 2.108 64.378 62.300 -0.050 0.000 1.051 104 V CB -0.970 30.828 31.823 -0.043 0.000 0.658 104 V HN 0.973 nan 8.190 nan 0.000 0.455 105 K N 0.900 121.255 120.400 -0.074 0.000 2.074 105 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 105 K C 2.288 178.830 176.600 -0.097 0.000 1.048 105 K CA 2.482 58.711 56.287 -0.096 0.000 0.926 105 K CB -0.674 31.759 32.500 -0.110 0.000 0.713 105 K HN 0.724 nan 8.250 nan 0.000 0.444 106 T N -0.864 113.643 114.554 -0.079 0.000 2.821 106 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 106 T C 1.721 176.382 174.700 -0.064 0.000 1.046 106 T CA 1.261 63.319 62.100 -0.069 0.000 1.139 106 T CB -0.332 68.504 68.868 -0.053 0.000 0.871 106 T HN 0.246 nan 8.240 nan 0.000 0.454 107 N N 1.556 120.215 118.700 -0.069 0.000 2.120 107 N HA 0.006 4.746 4.740 -0.000 0.000 0.188 107 N C 1.897 177.329 175.510 -0.131 0.000 1.024 107 N CA 1.300 54.297 53.050 -0.090 0.000 0.852 107 N CB -0.322 38.103 38.487 -0.105 0.000 1.003 107 N HN 0.410 nan 8.380 nan 0.000 0.424 108 L N 0.711 121.865 121.223 -0.115 0.000 2.353 108 L HA -0.060 4.280 4.340 -0.000 0.000 0.220 108 L C 2.151 179.054 176.870 0.055 0.000 1.133 108 L CA 0.408 55.204 54.840 -0.072 0.000 0.798 108 L CB -0.265 41.779 42.059 -0.025 0.000 0.922 108 L HN 0.162 nan 8.230 nan 0.000 0.445 109 M N -0.670 118.935 119.600 0.008 0.000 2.358 109 M HA -0.190 4.290 4.480 -0.000 0.000 0.264 109 M C 2.104 178.447 176.300 0.072 0.000 1.064 109 M CA 1.371 56.711 55.300 0.067 0.000 1.093 109 M CB -0.955 31.628 32.600 -0.027 0.000 1.401 109 M HN 0.333 nan 8.290 nan 0.000 0.440 110 Q N 0.136 119.917 119.800 -0.031 0.000 2.173 110 Q HA -0.197 4.143 4.340 -0.000 0.000 0.208 110 Q C 2.021 177.940 176.000 -0.135 0.000 0.989 110 Q CA 1.325 57.073 55.803 -0.093 0.000 0.872 110 Q CB -0.359 28.268 28.738 -0.184 0.000 0.909 110 Q HN 0.505 nan 8.270 nan 0.000 0.420 111 L N -1.202 119.924 121.223 -0.160 0.000 2.291 111 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 111 L C 1.494 177.986 176.870 -0.629 0.000 1.120 111 L CA 0.653 55.269 54.840 -0.373 0.000 0.799 111 L CB -0.099 41.756 42.059 -0.340 0.000 0.925 111 L HN 0.192 nan 8.230 nan 0.000 0.446 112 F N -0.503 119.312 119.950 -0.226 0.000 2.746 112 F HA 0.040 4.567 4.527 -0.000 0.000 0.297 112 F C 2.214 177.944 175.800 -0.117 0.000 1.113 112 F CA 0.014 57.929 58.000 -0.142 0.000 1.367 112 F CB -0.018 38.984 39.000 0.003 0.000 1.111 112 F HN -0.018 nan 8.300 nan 0.000 0.590 113 E N 0.848 121.052 120.200 0.007 0.000 2.070 113 E HA -0.308 4.042 4.350 -0.000 0.000 0.197 113 E C 2.087 178.672 176.600 -0.025 0.000 1.004 113 E CA 1.901 58.299 56.400 -0.003 0.000 0.805 113 E CB -0.155 29.531 29.700 -0.024 0.000 0.744 113 E HN 0.482 nan 8.360 nan 0.000 0.451 114 E N 0.882 121.034 120.200 -0.080 0.000 2.110 114 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 114 E C 1.877 178.458 176.600 -0.031 0.000 0.988 114 E CA 1.946 58.307 56.400 -0.064 0.000 0.804 114 E CB -0.364 29.280 29.700 -0.094 0.000 0.745 114 E HN 0.164 nan 8.360 nan 0.000 0.458 115 S N -0.791 114.894 115.700 -0.025 0.000 2.453 115 S HA 0.094 4.564 4.470 -0.000 0.000 0.231 115 S C 1.956 176.595 174.600 0.064 0.000 1.005 115 S CA 0.633 58.861 58.200 0.047 0.000 0.949 115 S CB -0.670 62.603 63.200 0.123 0.000 0.774 115 S HN 0.900 nan 8.310 nan 0.000 0.510 116 G N 1.436 110.271 108.800 0.059 0.000 2.184 116 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 116 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 116 G C -0.025 174.922 174.900 0.078 0.000 0.975 116 G CA 0.189 45.323 45.100 0.056 0.000 0.642 116 G HN 0.740 nan 8.290 nan 0.000 0.536 117 N N 0.979 119.759 118.700 0.132 0.000 2.415 117 N HA 0.427 5.167 4.740 -0.000 0.000 0.250 117 N C 1.385 176.954 175.510 0.099 0.000 1.127 117 N CA 0.807 53.941 53.050 0.141 0.000 0.945 117 N CB 0.616 39.241 38.487 0.230 0.000 1.196 117 N HN 0.432 nan 8.380 nan 0.000 0.499 118 T N -1.179 113.395 114.554 0.034 0.000 3.040 118 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 118 T C 0.345 175.018 174.700 -0.044 0.000 1.005 118 T CA -0.357 61.734 62.100 -0.015 0.000 0.906 118 T CB -0.050 68.816 68.868 -0.004 0.000 1.082 118 T HN 0.230 nan 8.240 nan 0.000 0.531 119 D N 1.999 122.385 120.400 -0.023 0.000 2.713 119 D HA 0.266 4.906 4.640 -0.000 0.000 0.229 119 D C -0.557 175.713 176.300 -0.049 0.000 1.136 119 D CA -0.609 53.377 54.000 -0.024 0.000 1.010 119 D CB -0.784 40.020 40.800 0.007 0.000 1.084 119 D HN 0.556 nan 8.370 nan 0.000 0.495 120 I N 1.713 122.214 120.570 -0.115 0.000 2.448 120 I HA 0.207 4.377 4.170 -0.000 0.000 0.281 120 I C 0.474 176.455 176.117 -0.227 0.000 1.027 120 I CA -0.963 60.221 61.300 -0.194 0.000 1.111 120 I CB 1.704 39.520 38.000 -0.306 0.000 1.236 120 I HN 0.066 nan 8.210 nan 0.000 0.452 121 E N 4.530 124.568 120.200 -0.270 0.000 2.422 121 E HA 0.471 4.821 4.350 -0.000 0.000 0.260 121 E C 0.242 176.646 176.600 -0.327 0.000 1.108 121 E CA 0.484 56.711 56.400 -0.288 0.000 0.943 121 E CB 0.871 30.351 29.700 -0.366 0.000 0.961 121 E HN 0.866 nan 8.360 nan 0.000 0.443 122 G N 1.658 110.312 108.800 -0.243 0.000 2.640 122 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.686 122 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.686 122 G C -0.406 174.397 174.900 -0.162 0.000 1.229 122 G CA -0.339 44.632 45.100 -0.215 0.000 0.796 122 G HN 0.695 nan 8.290 nan 0.000 0.654 123 I N -2.670 117.823 120.570 -0.129 0.000 4.529 123 I HA 0.857 5.027 4.170 -0.000 0.000 0.192 123 I C -0.825 175.237 176.117 -0.090 0.000 0.763 123 I CA -0.984 60.255 61.300 -0.101 0.000 1.859 123 I CB 0.880 38.833 38.000 -0.078 0.000 1.124 123 I HN 0.370 nan 8.210 nan 0.000 0.372 124 D N 0.452 120.811 120.400 -0.067 0.000 2.350 124 D HA 0.650 5.290 4.640 -0.000 0.000 0.238 124 D C -1.021 175.250 176.300 -0.047 0.000 0.989 124 D CA -0.050 53.917 54.000 -0.055 0.000 0.921 124 D CB 2.184 42.962 40.800 -0.036 0.000 1.297 124 D HN 0.542 nan 8.370 nan 0.000 0.490 125 T N -0.238 114.289 114.554 -0.044 0.000 3.032 125 T HA 0.554 4.904 4.350 -0.000 0.000 0.312 125 T C -1.503 173.184 174.700 -0.021 0.000 1.078 125 T CA -0.381 61.699 62.100 -0.034 0.000 1.028 125 T CB 0.907 69.746 68.868 -0.048 0.000 1.091 125 T HN 0.182 nan 8.240 nan 0.000 0.457 126 T N 4.769 119.321 114.554 -0.003 0.000 2.881 126 T HA 0.562 4.912 4.350 -0.000 0.000 0.291 126 T C -0.941 173.770 174.700 0.018 0.000 0.990 126 T CA -0.717 61.389 62.100 0.010 0.000 0.976 126 T CB 0.831 69.712 68.868 0.021 0.000 0.970 126 T HN 0.642 nan 8.240 nan 0.000 0.438 127 N N 2.073 120.786 118.700 0.022 0.000 2.664 127 N HA 0.524 5.263 4.740 -0.000 0.000 0.268 127 N C -0.125 175.358 175.510 -0.044 0.000 1.222 127 N CA 0.222 53.272 53.050 -0.001 0.000 0.805 127 N CB 0.636 39.112 38.487 -0.017 0.000 1.399 127 N HN 1.036 nan 8.380 nan 0.000 0.547 131 G N 0.720 109.460 108.800 -0.099 0.000 2.442 131 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 131 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 131 G C 1.759 176.541 174.900 -0.197 0.000 1.141 131 G CA 1.162 46.189 45.100 -0.122 0.000 0.763 131 G HN 0.611 nan 8.290 nan 0.000 0.554 132 G N 0.315 109.024 108.800 -0.152 0.000 2.433 132 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 132 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 132 G C 1.845 176.564 174.900 -0.302 0.000 1.186 132 G CA 1.747 46.755 45.100 -0.153 0.000 0.779 132 G HN 0.369 nan 8.290 nan 0.000 0.543 133 T N 1.753 116.088 114.554 -0.366 0.000 2.720 133 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 133 T C 2.810 176.904 174.700 -1.009 0.000 1.037 133 T CA 1.642 63.322 62.100 -0.700 0.000 1.144 133 T CB -0.455 67.903 68.868 -0.850 0.000 0.864 133 T HN 0.396 nan 8.240 nan 0.000 0.444 134 A N 1.569 123.870 122.820 -0.866 0.000 1.892 134 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 134 A C 2.657 180.069 177.584 -0.287 0.000 1.188 134 A CA 2.120 53.891 52.037 -0.444 0.000 0.631 134 A CB -1.200 17.677 19.000 -0.204 0.000 0.822 134 A HN 0.534 nan 8.150 nan 0.000 0.447 135 A N -0.754 121.897 122.820 -0.282 0.000 1.902 135 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 135 A C 2.237 179.684 177.584 -0.227 0.000 1.181 135 A CA 1.714 53.625 52.037 -0.211 0.000 0.623 135 A CB -0.957 17.930 19.000 -0.189 0.000 0.818 135 A HN 0.411 nan 8.150 nan 0.000 0.443 136 V N -0.688 119.028 119.914 -0.331 0.000 2.287 136 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 136 V C 2.376 178.319 176.094 -0.251 0.000 1.053 136 V CA 2.189 64.301 62.300 -0.314 0.000 1.027 136 V CB -1.019 30.581 31.823 -0.373 0.000 0.646 136 V HN 0.546 nan 8.190 nan 0.000 0.447 137 F N 0.975 120.714 119.950 -0.352 0.000 2.134 137 F HA -0.104 4.422 4.527 -0.000 0.000 0.299 137 F C 2.371 178.022 175.800 -0.249 0.000 1.097 137 F CA 1.103 58.887 58.000 -0.360 0.000 1.264 137 F CB -1.439 37.389 39.000 -0.288 0.000 1.001 137 F HN 0.245 nan 8.300 nan 0.000 0.479 138 N N 0.396 119.099 118.700 0.004 0.000 2.149 138 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 138 N C 2.034 177.547 175.510 0.006 0.000 1.019 138 N CA 1.454 54.496 53.050 -0.013 0.000 0.857 138 N CB -0.690 37.768 38.487 -0.048 0.000 0.997 138 N HN 0.268 nan 8.380 nan 0.000 0.426 139 A N 0.611 123.413 122.820 -0.031 0.000 1.872 139 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 139 A C 2.511 180.134 177.584 0.064 0.000 1.187 139 A CA 1.163 53.224 52.037 0.040 0.000 0.614 139 A CB -0.778 18.217 19.000 -0.009 0.000 0.826 139 A HN 0.083 nan 8.150 nan 0.000 0.442 140 V N 1.331 121.178 119.914 -0.112 0.000 2.287 140 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 140 V C 2.310 178.309 176.094 -0.157 0.000 1.053 140 V CA 2.242 64.413 62.300 -0.214 0.000 1.027 140 V CB -1.092 30.436 31.823 -0.492 0.000 0.646 140 V HN 0.558 nan 8.190 nan 0.000 0.447 141 N N -0.952 117.679 118.700 -0.115 0.000 2.104 141 N HA -0.235 4.505 4.740 -0.000 0.000 0.190 141 N C 1.428 176.945 175.510 0.012 0.000 1.024 141 N CA 1.875 54.873 53.050 -0.088 0.000 0.853 141 N CB -0.553 37.901 38.487 -0.055 0.000 1.008 141 N HN 0.748 nan 8.380 nan 0.000 0.424 142 W N 1.907 123.150 121.300 -0.096 0.000 2.355 142 W HA 0.047 4.707 4.660 -0.000 0.000 0.309 142 W C 1.928 178.418 176.519 -0.049 0.000 1.206 142 W CA 0.897 58.222 57.345 -0.033 0.000 1.284 142 W CB -0.456 29.001 29.460 -0.004 0.000 1.145 142 W HN -0.065 nan 8.180 nan 0.000 0.502 143 I N 0.736 121.141 120.570 -0.274 0.000 2.264 143 I HA -0.299 3.870 4.170 -0.000 0.000 0.248 143 I C 1.898 177.586 176.117 -0.715 0.000 1.111 143 I CA 1.772 62.519 61.300 -0.920 0.000 1.382 143 I CB -0.576 36.970 38.000 -0.758 0.000 1.060 143 I HN 0.052 nan 8.210 nan 0.000 0.418 144 E N 0.370 120.372 120.200 -0.329 0.000 2.502 144 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 144 E C 0.921 177.558 176.600 0.062 0.000 1.062 144 E CA 0.115 56.459 56.400 -0.094 0.000 0.867 144 E CB 0.158 29.776 29.700 -0.136 0.000 0.888 144 E HN 0.500 nan 8.360 nan 0.000 0.510 145 S N -0.114 115.562 115.700 -0.040 0.000 2.707 145 S HA 0.114 4.584 4.470 -0.000 0.000 0.276 145 S C 1.359 175.975 174.600 0.027 0.000 1.179 145 S CA -0.214 58.000 58.200 0.023 0.000 0.992 145 S CB 1.632 64.841 63.200 0.015 0.000 1.030 145 S HN 0.078 nan 8.310 nan 0.000 0.554 146 S N 0.433 116.157 115.700 0.041 0.000 2.500 146 S HA -0.073 4.397 4.470 -0.000 0.000 0.239 146 S C 1.347 175.957 174.600 0.017 0.000 0.989 146 S CA 1.036 59.254 58.200 0.030 0.000 0.951 146 S CB -0.877 62.340 63.200 0.029 0.000 0.759 146 S HN 0.621 nan 8.310 nan 0.000 0.523 147 S N -0.131 115.576 115.700 0.012 0.000 2.548 147 S HA 0.197 4.667 4.470 -0.000 0.000 0.215 147 S C 0.050 174.604 174.600 -0.076 0.000 0.976 147 S CA -0.619 57.609 58.200 0.046 0.000 0.908 147 S CB -0.266 63.051 63.200 0.195 0.000 0.781 147 S HN 0.751 nan 8.310 nan 0.000 0.519 148 W N 4.947 125.907 121.300 -0.567 0.000 2.257 148 W HA 0.114 4.774 4.660 -0.000 0.000 0.337 148 W C -0.038 176.253 176.519 -0.380 0.000 1.321 148 W CA -0.474 56.354 57.345 -0.862 0.000 1.267 148 W CB 0.419 29.421 29.460 -0.764 0.000 1.187 148 W HN 0.184 nan 8.180 nan 0.000 0.565 149 D N 2.755 122.731 120.400 -0.706 0.000 2.501 149 D HA 0.225 4.865 4.640 -0.000 0.000 0.224 149 D C 1.380 177.178 176.300 -0.837 0.000 1.202 149 D CA 0.158 53.825 54.000 -0.556 0.000 0.829 149 D CB -0.014 40.688 40.800 -0.163 0.000 1.023 149 D HN 0.713 nan 8.370 nan 0.000 0.499 150 G N 0.466 108.196 108.800 -1.783 0.000 2.195 150 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.246 150 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.246 150 G C 0.372 174.941 174.900 -0.552 0.000 0.984 150 G CA -0.184 44.072 45.100 -1.406 0.000 0.633 150 G HN 0.450 nan 8.290 nan 0.000 0.525 151 R N -0.661 119.689 120.500 -0.250 0.000 2.549 151 R HA 0.575 4.915 4.340 -0.000 0.000 0.267 151 R C 0.048 176.579 176.300 0.385 0.000 1.045 151 R CA -0.748 55.398 56.100 0.077 0.000 1.115 151 R CB 0.464 30.878 30.300 0.190 0.000 1.121 151 R HN 0.182 nan 8.270 nan 0.000 0.543 152 Y N 0.242 120.769 120.300 0.379 0.000 2.457 152 Y HA 0.172 4.722 4.550 -0.000 0.000 0.341 152 Y C 0.780 176.925 175.900 0.407 0.000 1.240 152 Y CA -0.056 58.261 58.100 0.363 0.000 1.437 152 Y CB 0.529 39.113 38.460 0.207 0.000 1.328 152 Y HN 0.565 nan 8.280 nan 0.000 0.588 153 A N 2.738 125.891 122.820 0.556 0.000 2.306 153 A HA 0.643 4.963 4.320 -0.000 0.000 0.314 153 A C -1.480 176.196 177.584 0.154 0.000 1.164 153 A CA -0.574 51.630 52.037 0.280 0.000 0.822 153 A CB 0.652 19.818 19.000 0.277 0.000 1.130 153 A HN 0.602 nan 8.150 nan 0.000 0.496 154 L N 3.086 124.331 121.223 0.037 0.000 2.376 154 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 154 L C -0.973 175.866 176.870 -0.051 0.000 0.987 154 L CA -0.258 54.586 54.840 0.006 0.000 0.828 154 L CB 1.823 43.901 42.059 0.033 0.000 1.249 154 L HN 0.415 nan 8.230 nan 0.000 0.409 155 V N 5.563 125.437 119.914 -0.065 0.000 2.459 155 V HA 0.633 4.753 4.120 -0.000 0.000 0.295 155 V C -0.559 175.476 176.094 -0.099 0.000 1.029 155 V CA -0.693 61.542 62.300 -0.108 0.000 0.874 155 V CB 1.993 33.722 31.823 -0.156 0.000 0.985 155 V HN 0.480 nan 8.190 nan 0.000 0.438 156 V N 3.653 123.515 119.914 -0.087 0.000 2.444 156 V HA 0.803 4.922 4.120 -0.000 0.000 0.294 156 V C 0.197 176.259 176.094 -0.053 0.000 1.022 156 V CA -0.609 61.658 62.300 -0.054 0.000 0.850 156 V CB 1.637 33.443 31.823 -0.029 0.000 0.992 156 V HN 0.971 nan 8.190 nan 0.000 0.426 157 A N 3.497 126.300 122.820 -0.029 0.000 2.303 157 A HA 0.959 5.279 4.320 -0.000 0.000 0.320 157 A C 0.196 177.828 177.584 0.080 0.000 1.192 157 A CA -0.039 52.009 52.037 0.019 0.000 0.821 157 A CB 1.270 20.294 19.000 0.040 0.000 1.188 157 A HN 1.240 nan 8.150 nan 0.000 0.492 158 G N 1.055 109.911 108.800 0.093 0.000 2.733 158 G HA2 0.652 4.612 3.960 -0.000 0.000 0.297 158 G HA3 0.652 4.612 3.960 -0.000 0.000 0.297 158 G C -1.947 173.040 174.900 0.145 0.000 1.422 158 G CA -0.407 44.768 45.100 0.125 0.000 0.942 158 G HN 0.587 nan 8.290 nan 0.000 0.510 159 D N -0.125 120.373 120.400 0.162 0.000 2.685 159 D HA 0.247 4.887 4.640 -0.000 0.000 0.236 159 D C -1.020 175.351 176.300 0.118 0.000 1.233 159 D CA -0.336 53.769 54.000 0.175 0.000 0.760 159 D CB 2.382 43.346 40.800 0.274 0.000 1.410 159 D HN 0.323 nan 8.370 nan 0.000 0.439 160 I N 1.373 122.005 120.570 0.104 0.000 2.354 160 I HA 0.448 4.618 4.170 -0.000 0.000 0.286 160 I C 0.048 176.126 176.117 -0.066 0.000 1.007 160 I CA -0.574 60.760 61.300 0.056 0.000 1.167 160 I CB 1.523 39.591 38.000 0.114 0.000 1.320 160 I HN 0.284 nan 8.210 nan 0.000 0.458 161 A N 7.539 130.189 122.820 -0.283 0.000 2.260 161 A HA 0.686 5.006 4.320 -0.000 0.000 0.312 161 A C -0.318 177.168 177.584 -0.164 0.000 1.321 161 A CA -0.423 51.247 52.037 -0.612 0.000 0.928 161 A CB 0.425 18.678 19.000 -1.244 0.000 1.158 161 A HN 0.563 nan 8.150 nan 0.000 0.542 162 V N 0.534 120.405 119.914 -0.072 0.000 2.709 162 V HA 0.791 4.911 4.120 -0.000 0.000 0.308 162 V C -1.213 174.907 176.094 0.043 0.000 1.062 162 V CA -0.947 61.412 62.300 0.099 0.000 0.901 162 V CB 0.857 32.809 31.823 0.215 0.000 1.003 162 V HN 0.664 nan 8.190 nan 0.000 0.425 163 Y N 2.052 122.405 120.300 0.088 0.000 2.549 163 Y HA 0.836 5.386 4.550 -0.000 0.000 0.339 163 Y C 0.885 176.336 175.900 -0.749 0.000 1.053 163 Y CA -0.177 57.847 58.100 -0.127 0.000 1.105 163 Y CB 2.042 40.482 38.460 -0.033 0.000 1.258 163 Y HN 1.077 nan 8.280 nan 0.000 0.478 164 A N 0.559 122.878 122.820 -0.834 0.000 2.448 164 A HA 0.318 4.638 4.320 -0.000 0.000 0.239 164 A C 0.344 177.701 177.584 -0.379 0.000 1.080 164 A CA -0.096 51.361 52.037 -0.966 0.000 0.779 164 A CB -0.493 18.240 19.000 -0.445 0.000 1.026 164 A HN 0.789 nan 8.150 nan 0.000 0.499 165 T N -0.643 113.756 114.554 -0.259 0.000 2.946 165 T HA 0.495 4.845 4.350 -0.000 0.000 0.312 165 T C 0.676 175.330 174.700 -0.077 0.000 1.066 165 T CA 0.458 62.493 62.100 -0.107 0.000 1.138 165 T CB 0.311 69.150 68.868 -0.049 0.000 1.014 165 T HN 2.559 nan 8.240 nan 0.000 0.544 166 G N 2.503 111.276 108.800 -0.045 0.000 2.315 166 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.296 166 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.296 166 G C 0.110 174.970 174.900 -0.067 0.000 1.289 166 G CA -0.302 44.771 45.100 -0.044 0.000 0.996 166 G HN 0.585 nan 8.290 nan 0.000 0.487 167 N N 0.226 118.880 118.700 -0.076 0.000 2.512 167 N HA 0.169 4.909 4.740 -0.000 0.000 0.183 167 N C 2.155 177.531 175.510 -0.223 0.000 1.073 167 N CA 1.552 54.539 53.050 -0.105 0.000 0.911 167 N CB -0.003 38.441 38.487 -0.072 0.000 0.964 167 N HN 0.873 nan 8.380 nan 0.000 0.447 168 A N 0.189 122.845 122.820 -0.272 0.000 2.030 168 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 168 A C 2.152 179.447 177.584 -0.482 0.000 1.164 168 A CA 0.354 52.078 52.037 -0.521 0.000 0.697 168 A CB -0.183 18.398 19.000 -0.700 0.000 0.827 168 A HN 0.167 nan 8.150 nan 0.000 0.457 169 R N 0.439 120.815 120.500 -0.206 0.000 2.096 169 R HA -0.130 4.210 4.340 -0.000 0.000 0.240 169 R C -1.146 175.113 176.300 -0.069 0.000 1.139 169 R CA 2.143 58.227 56.100 -0.027 0.000 0.952 169 R CB -1.146 29.155 30.300 0.002 0.000 0.854 169 R HN 0.357 nan 8.270 nan 0.000 0.436 170 P HA -0.062 nan 4.420 nan 0.000 0.231 170 P C 0.195 177.360 177.300 -0.225 0.000 1.158 170 P CA 1.399 64.262 63.100 -0.395 0.000 0.763 170 P CB 0.069 31.211 31.700 -0.930 0.000 0.805 171 T N -4.723 109.736 114.554 -0.158 0.000 3.186 171 T HA 0.405 4.755 4.350 -0.000 0.000 0.257 171 T C 0.944 175.773 174.700 0.215 0.000 1.029 171 T CA -0.356 61.729 62.100 -0.024 0.000 0.916 171 T CB -0.363 68.449 68.868 -0.093 0.000 1.041 171 T HN -0.043 nan 8.240 nan 0.000 0.562 172 G N -0.018 108.931 108.800 0.250 0.000 2.509 172 G HA2 0.708 4.668 3.960 -0.000 0.000 0.269 172 G HA3 0.708 4.668 3.960 -0.000 0.000 0.269 172 G C 0.211 175.177 174.900 0.111 0.000 1.416 172 G CA -0.300 44.953 45.100 0.254 0.000 1.052 172 G HN 0.983 nan 8.290 nan 0.000 0.542 173 G N -3.131 105.710 108.800 0.068 0.000 2.356 173 G HA2 0.525 4.485 3.960 -0.000 0.000 0.288 173 G HA3 0.525 4.485 3.960 -0.000 0.000 0.288 173 G C -1.649 173.274 174.900 0.038 0.000 1.302 173 G CA 0.429 45.566 45.100 0.062 0.000 0.887 173 G HN 1.901 nan 8.290 nan 0.000 0.521 174 V N -0.591 119.363 119.914 0.066 0.000 2.971 174 V HA 0.872 4.992 4.120 -0.000 0.000 0.281 174 V C -0.169 176.000 176.094 0.125 0.000 1.470 174 V CA 1.217 63.572 62.300 0.091 0.000 0.966 174 V CB 1.538 33.440 31.823 0.133 0.000 1.156 174 V HN 2.843 nan 8.190 nan 0.000 0.441 175 G N 3.545 112.436 108.800 0.152 0.000 2.356 175 G HA2 0.902 4.862 3.960 -0.000 0.000 0.294 175 G HA3 0.902 4.862 3.960 -0.000 0.000 0.294 175 G C -1.184 173.842 174.900 0.210 0.000 1.423 175 G CA 0.032 45.245 45.100 0.188 0.000 0.806 175 G HN 1.993 nan 8.290 nan 0.000 0.527 176 A N -0.788 122.174 122.820 0.238 0.000 2.515 176 A HA 0.883 5.203 4.320 -0.000 0.000 0.298 176 A C -1.230 176.463 177.584 0.181 0.000 1.059 176 A CA -0.643 51.516 52.037 0.204 0.000 0.698 176 A CB 2.161 21.286 19.000 0.208 0.000 1.289 176 A HN 1.636 nan 8.150 nan 0.000 0.404 177 V N 0.938 120.934 119.914 0.137 0.000 2.656 177 V HA 0.756 4.876 4.120 -0.000 0.000 0.307 177 V C 0.252 176.369 176.094 0.038 0.000 1.051 177 V CA -0.241 62.123 62.300 0.106 0.000 0.893 177 V CB 1.743 33.653 31.823 0.145 0.000 0.999 177 V HN 1.419 nan 8.190 nan 0.000 0.426 178 A N 5.718 128.552 122.820 0.022 0.000 2.317 178 A HA 0.920 5.240 4.320 -0.000 0.000 0.327 178 A C -0.998 176.565 177.584 -0.036 0.000 1.178 178 A CA -0.496 51.532 52.037 -0.016 0.000 0.817 178 A CB 0.784 19.781 19.000 -0.004 0.000 1.189 178 A HN 0.787 nan 8.150 nan 0.000 0.489 179 L N 2.735 123.918 121.223 -0.067 0.000 2.349 179 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 179 L C -0.841 176.008 176.870 -0.036 0.000 0.996 179 L CA -0.682 54.123 54.840 -0.059 0.000 0.825 179 L CB 1.674 43.668 42.059 -0.108 0.000 1.243 179 L HN 0.659 nan 8.230 nan 0.000 0.412 180 L N 5.077 126.276 121.223 -0.040 0.000 2.265 180 L HA 0.550 4.890 4.340 -0.000 0.000 0.288 180 L C -0.579 176.307 176.870 0.027 0.000 1.058 180 L CA 0.269 55.075 54.840 -0.057 0.000 0.809 180 L CB 0.832 42.765 42.059 -0.210 0.000 1.179 180 L HN 0.406 nan 8.230 nan 0.000 0.429 181 I N 4.838 125.486 120.570 0.131 0.000 2.465 181 I HA 0.799 4.969 4.170 -0.000 0.000 0.291 181 I C 0.337 176.643 176.117 0.315 0.000 1.014 181 I CA -0.376 61.051 61.300 0.211 0.000 1.093 181 I CB 1.820 39.934 38.000 0.189 0.000 1.267 181 I HN 0.728 nan 8.210 nan 0.000 0.431 182 G N 6.005 114.973 108.800 0.280 0.000 2.548 182 G HA2 0.534 4.494 3.960 -0.000 0.000 0.301 182 G HA3 0.534 4.494 3.960 -0.000 0.000 0.301 182 G C -3.291 171.682 174.900 0.122 0.000 1.349 182 G CA -0.756 44.496 45.100 0.253 0.000 0.792 182 G HN 0.276 nan 8.290 nan 0.000 0.481 183 P HA 0.185 nan 4.420 nan 0.000 0.274 183 P C -0.418 176.941 177.300 0.099 0.000 1.256 183 P CA -0.159 62.956 63.100 0.025 0.000 0.795 183 P CB 0.470 32.166 31.700 -0.006 0.000 1.038 184 N N -2.730 116.018 118.700 0.081 0.000 2.714 184 N HA -0.182 4.558 4.740 -0.000 0.000 0.252 184 N C 0.047 175.613 175.510 0.094 0.000 1.014 184 N CA 1.076 54.178 53.050 0.086 0.000 0.735 184 N CB -1.917 36.621 38.487 0.087 0.000 0.924 184 N HN 0.637 nan 8.380 nan 0.000 0.540 185 A N 0.543 123.419 122.820 0.093 0.000 2.286 185 A HA 0.576 4.896 4.320 -0.000 0.000 0.286 185 A C -0.583 177.036 177.584 0.058 0.000 1.097 185 A CA -1.132 50.957 52.037 0.086 0.000 0.821 185 A CB 0.757 19.814 19.000 0.096 0.000 1.076 185 A HN 0.018 nan 8.150 nan 0.000 0.490 186 P HA 0.047 nan 4.420 nan 0.000 0.225 186 P C -0.187 177.120 177.300 0.013 0.000 1.156 186 P CA 0.958 64.076 63.100 0.031 0.000 0.787 186 P CB 0.077 31.792 31.700 0.026 0.000 0.802 187 L N 0.763 121.979 121.223 -0.013 0.000 2.353 187 L HA 0.463 4.803 4.340 -0.000 0.000 0.270 187 L C -0.067 176.728 176.870 -0.124 0.000 1.003 187 L CA -0.695 54.107 54.840 -0.064 0.000 0.862 187 L CB 1.573 43.577 42.059 -0.092 0.000 1.221 187 L HN -0.242 nan 8.230 nan 0.000 0.430 188 I N 2.381 122.908 120.570 -0.072 0.000 2.354 188 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 188 I C -0.203 175.902 176.117 -0.019 0.000 0.989 188 I CA -0.519 60.774 61.300 -0.013 0.000 1.188 188 I CB 1.268 39.308 38.000 0.066 0.000 1.342 188 I HN 0.283 nan 8.210 nan 0.000 0.457 189 F N 4.345 124.374 119.950 0.131 0.000 2.578 189 F HA 0.055 4.582 4.527 -0.000 0.000 0.376 189 F C 1.141 177.018 175.800 0.128 0.000 1.085 189 F CA 0.140 58.237 58.000 0.162 0.000 1.260 189 F CB 0.131 39.199 39.000 0.113 0.000 1.095 189 F HN 0.438 nan 8.300 nan 0.000 0.573 190 E N 4.279 124.669 120.200 0.317 0.000 2.129 190 E HA 0.122 4.472 4.350 -0.000 0.000 0.283 190 E C -0.094 176.599 176.600 0.154 0.000 1.080 190 E CA -0.467 56.063 56.400 0.216 0.000 0.867 190 E CB 0.569 30.407 29.700 0.230 0.000 1.056 190 E HN 0.463 nan 8.360 nan 0.000 0.404 191 R N 1.133 121.687 120.500 0.090 0.000 2.537 191 R HA 0.107 4.447 4.340 -0.000 0.000 0.280 191 R C 1.066 177.339 176.300 -0.044 0.000 1.058 191 R CA 0.775 56.878 56.100 0.006 0.000 1.057 191 R CB 0.419 30.716 30.300 -0.006 0.000 0.973 191 R HN 0.881 nan 8.270 nan 0.000 0.438 192 G N 2.384 111.122 108.800 -0.103 0.000 2.162 192 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 192 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 192 G C 0.184 174.996 174.900 -0.146 0.000 0.976 192 G CA -0.150 44.872 45.100 -0.130 0.000 0.655 192 G HN 0.526 nan 8.290 nan 0.000 0.533 193 L N 0.681 121.839 121.223 -0.107 0.000 2.935 193 L HA 0.416 4.755 4.340 -0.000 0.000 0.243 193 L C 0.719 177.634 176.870 0.076 0.000 1.313 193 L CA -0.493 54.261 54.840 -0.143 0.000 0.969 193 L CB 0.512 42.444 42.059 -0.213 0.000 1.320 193 L HN 0.081 nan 8.230 nan 0.000 0.511 194 R N 0.811 121.308 120.500 -0.004 0.000 2.239 194 R HA 0.386 4.726 4.340 -0.000 0.000 0.332 194 R C 0.481 176.842 176.300 0.102 0.000 0.988 194 R CA -0.415 55.720 56.100 0.059 0.000 0.859 194 R CB 1.573 31.733 30.300 -0.233 0.000 1.148 194 R HN 0.346 nan 8.270 nan 0.000 0.482 195 G N 2.468 111.418 108.800 0.250 0.000 2.663 195 G HA2 0.143 4.103 3.960 -0.000 0.000 0.320 195 G HA3 0.143 4.103 3.960 -0.000 0.000 0.320 195 G C -0.185 174.856 174.900 0.235 0.000 0.937 195 G CA -0.078 45.151 45.100 0.214 0.000 1.332 195 G HN 0.341 nan 8.290 nan 0.000 0.461 196 T N 1.187 115.843 114.554 0.171 0.000 2.902 196 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 196 T C -0.831 173.979 174.700 0.183 0.000 1.009 196 T CA -0.118 62.087 62.100 0.175 0.000 1.051 196 T CB 1.433 70.376 68.868 0.124 0.000 0.999 196 T HN 0.665 nan 8.240 nan 0.000 0.474 197 H N 2.054 121.147 119.070 0.039 0.000 2.877 197 H HA 0.575 5.131 4.556 -0.000 0.000 0.347 197 H C -1.279 174.013 175.328 -0.060 0.000 1.042 197 H CA -0.714 55.343 56.048 0.014 0.000 1.276 197 H CB 0.728 30.528 29.762 0.064 0.000 1.681 197 H HN 0.447 nan 8.280 nan 0.000 0.521 198 M N 3.950 123.199 119.600 -0.586 0.000 2.530 198 M HA 0.382 4.862 4.480 -0.000 0.000 0.307 198 M C -1.192 174.754 176.300 -0.591 0.000 1.161 198 M CA -0.782 54.194 55.300 -0.539 0.000 0.903 198 M CB 2.828 35.239 32.600 -0.315 0.000 1.711 198 M HN 0.682 nan 8.290 nan 0.000 0.451 199 Q N 1.202 120.773 119.800 -0.381 0.000 2.386 199 Q HA 0.236 4.576 4.340 -0.000 0.000 0.274 199 Q C -1.716 174.227 176.000 -0.094 0.000 1.011 199 Q CA -0.689 54.989 55.803 -0.207 0.000 0.867 199 Q CB 2.335 30.986 28.738 -0.144 0.000 1.409 199 Q HN 0.793 nan 8.270 nan 0.000 0.395 200 H N 1.858 120.837 119.070 -0.150 0.000 3.015 200 H HA 0.625 5.181 4.556 -0.000 0.000 0.268 200 H C -1.505 173.704 175.328 -0.198 0.000 1.113 200 H CA 0.835 56.767 56.048 -0.194 0.000 1.479 200 H CB 0.359 30.026 29.762 -0.160 0.000 1.493 200 H HN 0.602 nan 8.280 nan 0.000 0.486 201 A N 4.803 127.333 122.820 -0.484 0.000 2.475 201 A HA 0.433 4.753 4.320 -0.000 0.000 0.301 201 A C -1.641 175.605 177.584 -0.564 0.000 1.059 201 A CA -0.747 51.037 52.037 -0.421 0.000 0.710 201 A CB 0.922 19.858 19.000 -0.106 0.000 1.288 201 A HN 0.661 nan 8.150 nan 0.000 0.408 202 Y N 1.746 121.901 120.300 -0.241 0.000 2.724 202 Y HA 0.139 4.689 4.550 -0.000 0.000 0.370 202 Y C 1.106 177.065 175.900 0.099 0.000 0.978 202 Y CA -0.556 57.368 58.100 -0.294 0.000 1.443 202 Y CB 0.490 38.632 38.460 -0.530 0.000 1.386 202 Y HN 0.824 nan 8.280 nan 0.000 0.557 203 D N 0.018 120.605 120.400 0.311 0.000 2.162 203 D HA -0.093 4.546 4.640 -0.000 0.000 0.203 203 D C 0.289 176.915 176.300 0.542 0.000 0.967 203 D CA 0.688 54.918 54.000 0.383 0.000 0.840 203 D CB 0.302 41.301 40.800 0.331 0.000 0.972 203 D HN 0.295 nan 8.370 nan 0.000 0.482 204 F N 0.574 120.781 119.950 0.428 0.000 2.605 204 F HA 0.471 4.998 4.527 -0.000 0.000 0.320 204 F C -2.026 174.034 175.800 0.434 0.000 1.159 204 F CA -1.031 57.179 58.000 0.349 0.000 0.999 204 F CB 1.345 40.499 39.000 0.257 0.000 1.258 204 F HN -0.034 nan 8.300 nan 0.000 0.464 205 Y N 2.232 122.530 120.300 -0.003 0.000 2.641 205 Y HA 0.558 5.108 4.550 -0.000 0.000 0.333 205 Y C -1.785 174.048 175.900 -0.112 0.000 1.174 205 Y CA -1.482 56.660 58.100 0.070 0.000 1.057 205 Y CB 1.522 40.106 38.460 0.206 0.000 1.322 205 Y HN 0.442 nan 8.280 nan 0.000 0.457 206 K N 2.367 122.787 120.400 0.033 0.000 2.877 206 K HA 0.272 4.592 4.320 -0.000 0.000 0.176 206 K C -2.380 174.253 176.600 0.055 0.000 1.075 206 K CA -1.437 54.822 56.287 -0.047 0.000 0.939 206 K CB 1.137 33.637 32.500 0.000 0.000 1.237 206 K HN 0.515 nan 8.250 nan 0.000 0.607 207 P HA -0.031 nan 4.420 nan 0.000 0.239 207 P C -0.234 177.106 177.300 0.066 0.000 1.188 207 P CA 0.366 63.538 63.100 0.120 0.000 0.794 207 P CB 0.259 32.080 31.700 0.202 0.000 0.937 208 D N 0.775 121.188 120.400 0.022 0.000 2.374 208 D HA 0.080 4.720 4.640 -0.000 0.000 0.240 208 D C 1.239 177.571 176.300 0.053 0.000 1.229 208 D CA -0.014 54.001 54.000 0.025 0.000 0.895 208 D CB 0.544 41.341 40.800 -0.006 0.000 1.046 208 D HN -0.166 nan 8.370 nan 0.000 0.498 209 M N 3.315 122.963 119.600 0.080 0.000 2.492 209 M HA -0.057 4.423 4.480 -0.000 0.000 0.262 209 M C 1.302 177.738 176.300 0.227 0.000 1.090 209 M CA 0.364 55.741 55.300 0.128 0.000 1.110 209 M CB -0.228 32.430 32.600 0.097 0.000 1.407 209 M HN 0.360 nan 8.290 nan 0.000 0.470 210 L N -0.676 120.655 121.223 0.181 0.000 2.478 210 L HA 0.069 4.409 4.340 -0.000 0.000 0.223 210 L C 1.183 178.233 176.870 0.300 0.000 1.140 210 L CA 0.601 55.613 54.840 0.286 0.000 0.842 210 L CB -0.471 41.664 42.059 0.126 0.000 0.953 210 L HN 0.116 nan 8.230 nan 0.000 0.452 211 S N -1.691 114.038 115.700 0.048 0.000 2.548 211 S HA 0.259 4.729 4.470 -0.000 0.000 0.286 211 S C 0.796 175.111 174.600 -0.474 0.000 1.098 211 S CA -0.670 57.365 58.200 -0.276 0.000 0.930 211 S CB 1.491 64.582 63.200 -0.183 0.000 1.070 211 S HN 0.238 nan 8.310 nan 0.000 0.480 212 E N 1.602 121.215 120.200 -0.979 0.000 2.285 212 E HA 0.004 4.354 4.350 -0.000 0.000 0.194 212 E C -0.630 175.766 176.600 -0.340 0.000 0.997 212 E CA 0.626 56.606 56.400 -0.699 0.000 0.845 212 E CB 0.092 29.319 29.700 -0.788 0.000 0.782 212 E HN 0.664 nan 8.360 nan 0.000 0.491 213 Y N 1.446 121.638 120.300 -0.180 0.000 2.304 213 Y HA 0.245 4.795 4.550 -0.000 0.000 0.327 213 Y C -1.837 173.949 175.900 -0.189 0.000 1.209 213 Y CA -3.443 54.570 58.100 -0.145 0.000 1.299 213 Y CB -0.138 38.267 38.460 -0.093 0.000 1.249 213 Y HN 0.036 nan 8.280 nan 0.000 0.519 214 P HA 0.265 nan 4.420 nan 0.000 0.276 214 P C -0.527 176.557 177.300 -0.359 0.000 1.244 214 P CA -0.305 62.535 63.100 -0.433 0.000 0.801 214 P CB 1.315 32.378 31.700 -1.063 0.000 1.006 215 I N 1.090 121.335 120.570 -0.542 0.000 2.396 215 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 215 I C 0.055 175.898 176.117 -0.456 0.000 1.056 215 I CA -0.458 60.533 61.300 -0.515 0.000 1.365 215 I CB 0.848 38.362 38.000 -0.809 0.000 1.407 215 I HN -0.014 nan 8.210 nan 0.000 0.509 216 V N 5.277 125.104 119.914 -0.145 0.000 2.540 216 V HA 0.263 4.383 4.120 -0.000 0.000 0.302 216 V C -0.370 175.791 176.094 0.111 0.000 1.035 216 V CA -0.636 61.704 62.300 0.066 0.000 0.873 216 V CB 2.009 33.950 31.823 0.195 0.000 0.992 216 V HN 0.604 nan 8.190 nan 0.000 0.428 217 D N 3.342 123.862 120.400 0.201 0.000 2.485 217 D HA 0.338 4.978 4.640 -0.000 0.000 0.229 217 D C 1.205 177.609 176.300 0.172 0.000 1.101 217 D CA 0.227 54.330 54.000 0.172 0.000 0.906 217 D CB 1.522 42.450 40.800 0.213 0.000 1.019 217 D HN 0.594 nan 8.370 nan 0.000 0.516 218 G N 3.534 112.406 108.800 0.120 0.000 2.491 218 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 218 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 218 G C 1.388 176.368 174.900 0.134 0.000 1.180 218 G CA 0.927 46.096 45.100 0.115 0.000 0.774 218 G HN 0.494 nan 8.290 nan 0.000 0.562 219 K N -0.351 120.099 120.400 0.084 0.000 2.026 219 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 219 K C 2.461 179.182 176.600 0.201 0.000 1.048 219 K CA 1.183 57.514 56.287 0.075 0.000 0.929 219 K CB -0.302 32.126 32.500 -0.119 0.000 0.713 219 K HN 0.228 nan 8.250 nan 0.000 0.439 220 L N 1.411 122.730 121.223 0.160 0.000 2.079 220 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 220 L C 2.282 179.274 176.870 0.204 0.000 1.081 220 L CA 2.310 57.257 54.840 0.179 0.000 0.752 220 L CB -0.724 41.433 42.059 0.164 0.000 0.896 220 L HN 0.380 nan 8.230 nan 0.000 0.433 221 S N -1.050 114.792 115.700 0.236 0.000 2.399 221 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 221 S C 2.042 176.756 174.600 0.189 0.000 1.022 221 S CA 1.520 59.878 58.200 0.264 0.000 0.983 221 S CB -0.905 62.489 63.200 0.323 0.000 0.803 221 S HN 0.518 nan 8.310 nan 0.000 0.480 222 I N 1.554 122.239 120.570 0.191 0.000 2.233 222 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 222 I C 3.055 179.176 176.117 0.007 0.000 1.093 222 I CA 1.560 62.929 61.300 0.115 0.000 1.380 222 I CB -0.482 37.658 38.000 0.234 0.000 1.067 222 I HN 0.411 nan 8.210 nan 0.000 0.413 223 Q N 0.403 120.239 119.800 0.059 0.000 2.096 223 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 223 Q C 2.488 178.317 176.000 -0.285 0.000 0.982 223 Q CA 2.284 57.943 55.803 -0.240 0.000 0.850 223 Q CB -0.104 28.597 28.738 -0.061 0.000 0.901 223 Q HN 0.562 nan 8.270 nan 0.000 0.422 224 C N -0.354 118.917 119.300 -0.049 0.000 2.446 224 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 224 C C 2.418 177.399 174.990 -0.016 0.000 1.275 224 C CA 0.718 59.762 59.018 0.043 0.000 1.727 224 C CB -1.231 26.644 27.740 0.225 0.000 2.010 224 C HN 0.670 nan 8.230 nan 0.000 0.486 225 Y N 1.317 121.390 120.300 -0.378 0.000 2.128 225 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 225 Y C 2.272 178.014 175.900 -0.263 0.000 1.154 225 Y CA 1.680 59.368 58.100 -0.685 0.000 1.149 225 Y CB -0.271 37.843 38.460 -0.577 0.000 0.976 225 Y HN 0.221 nan 8.280 nan 0.000 0.505 226 L N -0.533 120.709 121.223 0.031 0.000 2.072 226 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 226 L C 2.701 179.556 176.870 -0.025 0.000 1.079 226 L CA 1.384 56.223 54.840 -0.001 0.000 0.752 226 L CB -0.769 41.274 42.059 -0.027 0.000 0.906 226 L HN 0.334 nan 8.230 nan 0.000 0.436 227 S N 0.157 115.785 115.700 -0.120 0.000 2.383 227 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 227 S C 2.183 176.785 174.600 0.002 0.000 1.026 227 S CA 0.774 58.965 58.200 -0.016 0.000 0.981 227 S CB -0.464 62.649 63.200 -0.144 0.000 0.818 227 S HN 0.337 nan 8.310 nan 0.000 0.472 228 A N 2.104 124.963 122.820 0.065 0.000 1.902 228 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 228 A C 2.230 179.893 177.584 0.131 0.000 1.181 228 A CA 1.615 53.778 52.037 0.210 0.000 0.623 228 A CB -0.964 18.322 19.000 0.477 0.000 0.818 228 A HN 0.502 nan 8.150 nan 0.000 0.443 229 L N 0.321 121.471 121.223 -0.122 0.000 2.012 229 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 229 L C 1.720 178.493 176.870 -0.162 0.000 1.073 229 L CA 2.624 57.142 54.840 -0.537 0.000 0.748 229 L CB -0.820 40.795 42.059 -0.739 0.000 0.891 229 L HN 0.369 nan 8.230 nan 0.000 0.431 230 D N -0.694 119.678 120.400 -0.047 0.000 2.116 230 D HA -0.236 4.404 4.640 -0.000 0.000 0.193 230 D C 2.300 178.623 176.300 0.038 0.000 0.998 230 D CA 1.424 55.446 54.000 0.037 0.000 0.836 230 D CB -0.150 40.680 40.800 0.050 0.000 0.951 230 D HN 0.190 nan 8.370 nan 0.000 0.449 231 R N 0.699 121.187 120.500 -0.021 0.000 2.066 231 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 231 R C 2.301 178.626 176.300 0.041 0.000 1.131 231 R CA 1.193 57.253 56.100 -0.066 0.000 0.955 231 R CB -1.076 29.029 30.300 -0.325 0.000 0.851 231 R HN 0.187 nan 8.270 nan 0.000 0.432 232 C N -0.143 119.232 119.300 0.127 0.000 2.429 232 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 232 C C 2.375 177.509 174.990 0.241 0.000 1.262 232 C CA 0.749 59.903 59.018 0.227 0.000 1.733 232 C CB -1.244 26.721 27.740 0.375 0.000 2.010 232 C HN 0.523 nan 8.230 nan 0.000 0.483 233 Y N 1.640 121.957 120.300 0.028 0.000 2.181 233 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 233 Y C 2.815 178.732 175.900 0.029 0.000 1.146 233 Y CA 1.657 59.769 58.100 0.021 0.000 1.164 233 Y CB -0.930 37.526 38.460 -0.006 0.000 0.982 233 Y HN 0.330 nan 8.280 nan 0.000 0.515 234 S N -0.977 114.722 115.700 -0.001 0.000 2.368 234 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 234 S C 2.123 176.661 174.600 -0.104 0.000 1.030 234 S CA 1.582 59.710 58.200 -0.120 0.000 0.999 234 S CB -0.790 62.370 63.200 -0.067 0.000 0.844 234 S HN 0.227 nan 8.310 nan 0.000 0.459 235 V N 0.818 120.721 119.914 -0.018 0.000 2.307 235 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 235 V C 2.081 178.134 176.094 -0.068 0.000 1.045 235 V CA 2.082 64.366 62.300 -0.026 0.000 1.024 235 V CB -1.059 30.785 31.823 0.036 0.000 0.651 235 V HN 0.695 nan 8.190 nan 0.000 0.449 236 Y N 0.441 120.670 120.300 -0.118 0.000 2.114 236 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 236 Y C 2.620 178.265 175.900 -0.425 0.000 1.165 236 Y CA 2.232 60.219 58.100 -0.187 0.000 1.148 236 Y CB -0.590 37.830 38.460 -0.067 0.000 0.972 236 Y HN 0.247 nan 8.280 nan 0.000 0.504 237 C N 0.614 119.689 119.300 -0.375 0.000 2.425 237 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 237 C C 2.707 177.125 174.990 -0.955 0.000 1.280 237 C CA 1.471 60.023 59.018 -0.777 0.000 1.744 237 C CB -1.089 26.234 27.740 -0.694 0.000 1.989 237 C HN 0.576 nan 8.230 nan 0.000 0.491 238 K N 1.032 121.116 120.400 -0.526 0.000 2.057 238 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 238 K C 2.044 178.458 176.600 -0.310 0.000 1.049 238 K CA 1.352 57.446 56.287 -0.322 0.000 0.931 238 K CB -0.087 32.312 32.500 -0.168 0.000 0.714 238 K HN 0.469 nan 8.250 nan 0.000 0.440 239 K N 0.445 120.623 120.400 -0.369 0.000 2.057 239 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 239 K C 2.169 178.504 176.600 -0.441 0.000 1.050 239 K CA 1.269 57.349 56.287 -0.345 0.000 0.935 239 K CB -0.124 32.178 32.500 -0.331 0.000 0.715 239 K HN 0.205 nan 8.250 nan 0.000 0.439 240 I N 0.742 120.890 120.570 -0.703 0.000 2.315 240 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 240 I C 1.957 177.642 176.117 -0.719 0.000 1.117 240 I CA 1.361 62.151 61.300 -0.850 0.000 1.404 240 I CB 0.000 37.293 38.000 -1.179 0.000 1.071 240 I HN 0.287 nan 8.210 nan 0.000 0.419 241 H N 0.023 118.780 119.070 -0.522 0.000 2.352 241 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 241 H C 2.291 177.572 175.328 -0.079 0.000 1.097 241 H CA 0.953 56.877 56.048 -0.207 0.000 1.311 241 H CB -0.028 29.673 29.762 -0.101 0.000 1.377 241 H HN 0.474 nan 8.280 nan 0.000 0.504 242 A N 1.024 123.843 122.820 -0.002 0.000 1.898 242 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 242 A C 2.224 179.819 177.584 0.019 0.000 1.181 242 A CA 1.430 53.470 52.037 0.005 0.000 0.620 242 A CB -0.369 18.608 19.000 -0.038 0.000 0.819 242 A HN 0.447 nan 8.150 nan 0.000 0.442 243 Q N -1.417 118.363 119.800 -0.033 0.000 2.050 243 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 243 Q C 2.017 178.133 176.000 0.192 0.000 0.980 243 Q CA 1.523 57.346 55.803 0.032 0.000 0.840 243 Q CB -0.267 28.450 28.738 -0.035 0.000 0.898 243 Q HN 0.863 nan 8.270 nan 0.000 0.424 244 W N 0.812 122.135 121.300 0.038 0.000 2.338 244 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 244 W C 2.800 179.334 176.519 0.024 0.000 1.212 244 W CA 1.679 59.049 57.345 0.042 0.000 1.264 244 W CB -1.210 28.291 29.460 0.069 0.000 1.142 244 W HN 0.355 nan 8.180 nan 0.000 0.512 245 Q N 0.661 120.614 119.800 0.254 0.000 2.124 245 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 245 Q C 2.016 178.074 176.000 0.096 0.000 0.977 245 Q CA 2.694 58.580 55.803 0.138 0.000 0.850 245 Q CB -1.198 27.599 28.738 0.099 0.000 0.901 245 Q HN 0.292 nan 8.270 nan 0.000 0.429 246 K N 0.445 120.902 120.400 0.095 0.000 2.103 246 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 246 K C 1.833 178.473 176.600 0.067 0.000 1.048 246 K CA 1.415 57.743 56.287 0.068 0.000 0.930 246 K CB -0.246 32.292 32.500 0.062 0.000 0.716 246 K HN 0.881 nan 8.250 nan 0.000 0.444 247 E N -0.987 119.268 120.200 0.091 0.000 2.476 247 E HA 0.167 4.517 4.350 -0.000 0.000 0.191 247 E C 0.845 177.470 176.600 0.041 0.000 1.064 247 E CA 0.311 56.752 56.400 0.069 0.000 0.866 247 E CB 0.313 30.067 29.700 0.090 0.000 0.952 247 E HN 0.516 nan 8.360 nan 0.000 0.492 248 G N 2.435 111.261 108.800 0.044 0.000 2.160 248 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 248 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 248 G C -0.164 174.737 174.900 0.003 0.000 1.008 248 G CA 0.292 45.404 45.100 0.020 0.000 0.724 248 G HN 0.295 nan 8.290 nan 0.000 0.514 249 N N 0.504 119.216 118.700 0.020 0.000 2.476 249 N HA 0.480 5.220 4.740 -0.000 0.000 0.257 249 N C -0.030 175.513 175.510 0.054 0.000 0.970 249 N CA -0.841 52.193 53.050 -0.028 0.000 0.938 249 N CB 1.124 39.511 38.487 -0.165 0.000 1.144 249 N HN 0.040 nan 8.380 nan 0.000 0.500 250 D N 1.711 122.118 120.400 0.012 0.000 2.463 250 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 250 D C 0.117 176.416 176.300 -0.001 0.000 1.174 250 D CA 0.012 54.025 54.000 0.021 0.000 0.829 250 D CB 0.365 41.164 40.800 -0.002 0.000 0.993 250 D HN 0.642 nan 8.370 nan 0.000 0.497 251 K N 0.437 120.845 120.400 0.014 0.000 2.126 251 K HA 0.218 4.538 4.320 -0.000 0.000 0.257 251 K C -0.276 176.385 176.600 0.101 0.000 1.007 251 K CA -0.461 55.834 56.287 0.013 0.000 0.928 251 K CB 1.272 33.728 32.500 -0.073 0.000 1.013 251 K HN -0.357 nan 8.250 nan 0.000 0.473 252 D N 1.477 121.918 120.400 0.068 0.000 2.256 252 D HA 0.127 4.767 4.640 -0.000 0.000 0.250 252 D C -0.792 175.795 176.300 0.478 0.000 1.093 252 D CA -0.294 53.783 54.000 0.128 0.000 0.882 252 D CB 0.595 41.450 40.800 0.092 0.000 1.185 252 D HN 0.435 nan 8.370 nan 0.000 0.437 253 F N 2.061 122.381 119.950 0.618 0.000 2.495 253 F HA 0.178 4.705 4.527 -0.000 0.000 0.365 253 F C 0.883 176.829 175.800 0.243 0.000 1.090 253 F CA 0.272 58.512 58.000 0.400 0.000 1.235 253 F CB 0.526 39.569 39.000 0.072 0.000 1.119 253 F HN 0.232 nan 8.300 nan 0.000 0.562 254 T N 2.827 117.324 114.554 -0.096 0.000 2.831 254 T HA 0.341 4.691 4.350 -0.000 0.000 0.287 254 T C 0.879 175.541 174.700 -0.063 0.000 1.070 254 T CA -0.904 61.262 62.100 0.110 0.000 1.010 254 T CB 1.038 69.978 68.868 0.121 0.000 1.264 254 T HN 0.626 nan 8.240 nan 0.000 0.532 255 L N 0.857 122.205 121.223 0.209 0.000 2.187 255 L HA -0.098 4.242 4.340 -0.000 0.000 0.213 255 L C 2.282 179.179 176.870 0.046 0.000 1.100 255 L CA 1.085 56.059 54.840 0.224 0.000 0.765 255 L CB -0.537 41.682 42.059 0.267 0.000 0.904 255 L HN 0.654 nan 8.230 nan 0.000 0.437 256 N N -0.378 118.290 118.700 -0.053 0.000 2.459 256 N HA -0.135 4.605 4.740 -0.000 0.000 0.181 256 N C 0.906 176.309 175.510 -0.178 0.000 1.046 256 N CA 0.887 53.885 53.050 -0.088 0.000 0.904 256 N CB -0.121 38.321 38.487 -0.076 0.000 0.964 256 N HN 0.441 nan 8.380 nan 0.000 0.444 257 D N -0.017 120.141 120.400 -0.403 0.000 2.355 257 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 257 D C -0.204 175.903 176.300 -0.321 0.000 1.004 257 D CA 0.371 54.064 54.000 -0.512 0.000 0.880 257 D CB 0.104 40.227 40.800 -1.127 0.000 0.911 257 D HN 0.091 nan 8.370 nan 0.000 0.528 258 F N 0.347 120.274 119.950 -0.039 0.000 2.408 258 F HA 0.351 4.877 4.527 -0.000 0.000 0.344 258 F C 1.644 177.389 175.800 -0.091 0.000 1.112 258 F CA -0.881 57.144 58.000 0.040 0.000 1.096 258 F CB 1.777 40.815 39.000 0.064 0.000 1.129 258 F HN -0.224 nan 8.300 nan 0.000 0.486 259 G N 2.717 111.555 108.800 0.064 0.000 2.396 259 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.214 259 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.214 259 G C -0.130 174.336 174.900 -0.722 0.000 1.166 259 G CA 0.490 45.400 45.100 -0.317 0.000 0.793 259 G HN 0.349 nan 8.290 nan 0.000 0.533 260 F N -1.542 118.400 119.950 -0.014 0.000 2.588 260 F HA 0.738 5.265 4.527 -0.000 0.000 0.314 260 F C -0.287 175.403 175.800 -0.184 0.000 1.069 260 F CA -1.179 56.760 58.000 -0.103 0.000 0.931 260 F CB 2.518 41.420 39.000 -0.164 0.000 1.260 260 F HN -0.142 nan 8.300 nan 0.000 0.465 261 M N 4.820 124.396 119.600 -0.039 0.000 2.124 261 M HA 0.575 5.055 4.480 -0.000 0.000 0.280 261 M C -1.471 174.674 176.300 -0.258 0.000 0.954 261 M CA -0.543 54.544 55.300 -0.354 0.000 0.958 261 M CB 1.240 33.636 32.600 -0.339 0.000 1.611 261 M HN 0.495 nan 8.290 nan 0.000 0.449 262 I N 0.406 120.710 120.570 -0.444 0.000 2.797 262 I HA 0.830 5.000 4.170 -0.000 0.000 0.307 262 I C -1.671 174.156 176.117 -0.483 0.000 1.033 262 I CA -0.683 60.464 61.300 -0.255 0.000 1.071 262 I CB 2.031 39.934 38.000 -0.162 0.000 1.255 262 I HN 0.625 nan 8.210 nan 0.000 0.445 263 F N 0.896 120.838 119.950 -0.015 0.000 2.601 263 F HA 0.340 4.867 4.527 -0.000 0.000 0.309 263 F C -0.068 175.791 175.800 0.099 0.000 1.089 263 F CA -0.872 57.199 58.000 0.119 0.000 0.940 263 F CB 1.306 40.431 39.000 0.209 0.000 1.273 263 F HN 0.629 nan 8.300 nan 0.000 0.450 264 H N 1.030 120.248 119.070 0.246 0.000 3.125 264 H HA 0.213 4.769 4.556 -0.000 0.000 0.310 264 H C -0.717 174.797 175.328 0.310 0.000 0.980 264 H CA 0.159 56.338 56.048 0.218 0.000 1.422 264 H CB 0.593 30.486 29.762 0.219 0.000 1.432 264 H HN 0.435 nan 8.280 nan 0.000 0.577 265 S N 8.131 123.602 115.700 -0.381 0.000 2.426 265 S HA 0.162 4.632 4.470 -0.000 0.000 0.236 265 S C -1.875 172.480 174.600 -0.409 0.000 1.368 265 S CA -1.016 56.999 58.200 -0.308 0.000 1.154 265 S CB 1.189 64.326 63.200 -0.106 0.000 1.037 265 S HN 0.688 nan 8.310 nan 0.000 0.481 266 P HA -0.027 nan 4.420 nan 0.000 0.217 266 P C -0.272 177.088 177.300 0.101 0.000 1.150 266 P CA 1.229 64.262 63.100 -0.113 0.000 0.832 266 P CB -0.104 31.563 31.700 -0.056 0.000 0.787 267 Y N -7.096 113.125 120.300 -0.132 0.000 2.662 267 Y HA 0.385 4.935 4.550 -0.000 0.000 0.334 267 Y C 0.885 176.719 175.900 -0.110 0.000 1.185 267 Y CA -1.300 56.740 58.100 -0.099 0.000 1.074 267 Y CB -0.437 37.970 38.460 -0.089 0.000 1.330 267 Y HN -0.397 nan 8.280 nan 0.000 0.458 268 C N 0.509 119.823 119.300 0.023 0.000 2.425 268 C HA -0.110 4.350 4.460 -0.000 0.000 0.277 268 C C 2.626 177.564 174.990 -0.086 0.000 1.280 268 C CA 1.761 60.762 59.018 -0.028 0.000 1.744 268 C CB -0.812 26.956 27.740 0.047 0.000 1.989 268 C HN 0.996 nan 8.230 nan 0.000 0.491 269 K N 1.235 121.645 120.400 0.016 0.000 2.063 269 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 269 K C 1.773 178.236 176.600 -0.228 0.000 1.048 269 K CA 1.446 57.717 56.287 -0.027 0.000 0.928 269 K CB -0.804 31.793 32.500 0.163 0.000 0.713 269 K HN 0.311 nan 8.250 nan 0.000 0.442 270 L N 0.217 121.124 121.223 -0.527 0.000 2.083 270 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 270 L C 1.972 178.489 176.870 -0.587 0.000 1.083 270 L CA 1.466 55.892 54.840 -0.691 0.000 0.752 270 L CB -0.466 40.850 42.059 -1.239 0.000 0.899 270 L HN 0.098 nan 8.230 nan 0.000 0.433 271 V N -0.609 118.986 119.914 -0.532 0.000 2.427 271 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 271 V C 2.542 178.349 176.094 -0.479 0.000 1.051 271 V CA 1.916 63.899 62.300 -0.529 0.000 1.048 271 V CB -0.695 30.945 31.823 -0.303 0.000 0.666 271 V HN 0.615 nan 8.190 nan 0.000 0.456 272 Q N 0.139 119.686 119.800 -0.422 0.000 2.084 272 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 272 Q C 2.328 178.024 176.000 -0.506 0.000 0.978 272 Q CA 1.628 56.980 55.803 -0.750 0.000 0.844 272 Q CB -0.029 28.169 28.738 -0.900 0.000 0.898 272 Q HN 0.601 nan 8.270 nan 0.000 0.426 273 K N -0.316 119.856 120.400 -0.380 0.000 2.147 273 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 273 K C 2.211 178.655 176.600 -0.261 0.000 1.049 273 K CA 1.379 57.499 56.287 -0.278 0.000 0.936 273 K CB 0.024 32.385 32.500 -0.232 0.000 0.722 273 K HN 0.082 nan 8.250 nan 0.000 0.446 274 S N 1.409 116.902 115.700 -0.345 0.000 2.371 274 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 274 S C 1.840 176.309 174.600 -0.218 0.000 1.029 274 S CA 0.667 58.690 58.200 -0.295 0.000 0.978 274 S CB -0.153 62.798 63.200 -0.415 0.000 0.833 274 S HN 0.148 nan 8.310 nan 0.000 0.466 275 L N 1.928 122.989 121.223 -0.269 0.000 2.046 275 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 275 L C 2.373 179.260 176.870 0.028 0.000 1.077 275 L CA 1.740 56.591 54.840 0.020 0.000 0.747 275 L CB -0.810 41.350 42.059 0.168 0.000 0.896 275 L HN 0.276 nan 8.230 nan 0.000 0.432 276 A N -0.757 122.034 122.820 -0.049 0.000 1.972 276 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 276 A C 2.398 179.977 177.584 -0.008 0.000 1.169 276 A CA 1.700 53.742 52.037 0.009 0.000 0.635 276 A CB -0.558 18.416 19.000 -0.044 0.000 0.810 276 A HN 0.433 nan 8.150 nan 0.000 0.446 277 R N -0.399 120.054 120.500 -0.079 0.000 2.092 277 R HA 0.015 4.354 4.340 -0.000 0.000 0.231 277 R C 2.048 178.327 176.300 -0.036 0.000 1.119 277 R CA 1.921 57.956 56.100 -0.108 0.000 0.970 277 R CB -0.517 29.721 30.300 -0.104 0.000 0.864 277 R HN 0.576 nan 8.270 nan 0.000 0.440 278 M N -0.527 119.078 119.600 0.008 0.000 2.132 278 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 278 M C 1.895 178.326 176.300 0.218 0.000 1.065 278 M CA 1.182 56.512 55.300 0.050 0.000 1.122 278 M CB -0.337 32.205 32.600 -0.095 0.000 1.365 278 M HN 0.184 nan 8.290 nan 0.000 0.411 279 L N 0.702 122.058 121.223 0.222 0.000 2.083 279 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 279 L C 2.202 179.293 176.870 0.368 0.000 1.083 279 L CA 1.541 56.599 54.840 0.364 0.000 0.752 279 L CB -0.722 41.578 42.059 0.401 0.000 0.899 279 L HN 0.220 nan 8.230 nan 0.000 0.433 280 L N -0.336 120.917 121.223 0.049 0.000 2.046 280 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 280 L C 2.288 179.153 176.870 -0.009 0.000 1.077 280 L CA 1.767 56.386 54.840 -0.370 0.000 0.747 280 L CB -0.993 40.581 42.059 -0.809 0.000 0.896 280 L HN 0.374 nan 8.230 nan 0.000 0.432 281 N N 0.047 118.795 118.700 0.080 0.000 2.061 281 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 281 N C 1.442 177.071 175.510 0.198 0.000 1.030 281 N CA 1.924 55.071 53.050 0.161 0.000 0.856 281 N CB -0.334 38.343 38.487 0.317 0.000 1.023 281 N HN 0.462 nan 8.380 nan 0.000 0.424 282 D N 0.418 121.012 120.400 0.323 0.000 2.104 282 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 282 D C 1.718 178.128 176.300 0.183 0.000 0.994 282 D CA 0.544 54.742 54.000 0.330 0.000 0.830 282 D CB -0.580 40.513 40.800 0.489 0.000 0.959 282 D HN 0.206 nan 8.370 nan 0.000 0.452 283 F N 1.261 121.156 119.950 -0.092 0.000 2.046 283 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 283 F C 2.105 177.751 175.800 -0.257 0.000 1.123 283 F CA 1.409 59.093 58.000 -0.527 0.000 1.199 283 F CB -0.377 38.501 39.000 -0.204 0.000 0.972 283 F HN -0.095 nan 8.300 nan 0.000 0.474 284 L N 0.158 121.345 121.223 -0.059 0.000 2.141 284 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 284 L C 1.975 178.758 176.870 -0.145 0.000 1.094 284 L CA 1.055 55.809 54.840 -0.143 0.000 0.763 284 L CB -0.809 41.247 42.059 -0.004 0.000 0.908 284 L HN 0.205 nan 8.230 nan 0.000 0.437 285 N N -0.694 117.965 118.700 -0.069 0.000 2.409 285 N HA -0.091 4.649 4.740 -0.000 0.000 0.179 285 N C 0.487 175.973 175.510 -0.041 0.000 1.032 285 N CA 0.629 53.660 53.050 -0.032 0.000 0.898 285 N CB -0.212 38.287 38.487 0.020 0.000 0.971 285 N HN 0.203 nan 8.380 nan 0.000 0.441 286 D N 0.836 121.186 120.400 -0.084 0.000 2.339 286 D HA 0.083 4.723 4.640 -0.000 0.000 0.241 286 D C 0.589 176.821 176.300 -0.114 0.000 1.183 286 D CA -0.084 53.886 54.000 -0.051 0.000 0.859 286 D CB 1.014 41.825 40.800 0.018 0.000 1.067 286 D HN -0.104 nan 8.370 nan 0.000 0.484 287 Q N 2.010 121.771 119.800 -0.064 0.000 2.437 287 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 287 Q C 0.170 176.135 176.000 -0.058 0.000 0.972 287 Q CA 0.801 56.562 55.803 -0.071 0.000 0.903 287 Q CB 0.215 28.927 28.738 -0.042 0.000 0.967 287 Q HN 0.362 nan 8.270 nan 0.000 0.486 288 N N -0.192 118.491 118.700 -0.028 0.000 2.546 288 N HA 0.135 4.875 4.740 -0.000 0.000 0.286 288 N C 0.172 175.703 175.510 0.036 0.000 1.259 288 N CA -0.025 53.027 53.050 0.004 0.000 0.939 288 N CB 0.491 38.994 38.487 0.026 0.000 1.243 288 N HN 0.149 nan 8.380 nan 0.000 0.511 289 R N 0.772 121.241 120.500 -0.051 0.000 2.094 289 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 289 R C 1.621 178.005 176.300 0.140 0.000 1.137 289 R CA 2.227 58.294 56.100 -0.055 0.000 0.943 289 R CB -0.439 29.599 30.300 -0.436 0.000 0.850 289 R HN 0.408 nan 8.270 nan 0.000 0.433 290 D N -0.136 120.305 120.400 0.068 0.000 2.336 290 D HA 0.076 4.716 4.640 -0.000 0.000 0.229 290 D C 1.345 177.697 176.300 0.087 0.000 1.061 290 D CA 1.206 55.264 54.000 0.096 0.000 0.875 290 D CB -0.222 40.611 40.800 0.055 0.000 0.904 290 D HN 0.467 nan 8.370 nan 0.000 0.525 291 K N 0.060 120.514 120.400 0.089 0.000 2.501 291 K HA 0.264 4.584 4.320 -0.000 0.000 0.204 291 K C 0.220 176.864 176.600 0.074 0.000 1.067 291 K CA -0.342 55.985 56.287 0.067 0.000 1.060 291 K CB 0.085 32.610 32.500 0.042 0.000 0.873 291 K HN 0.276 nan 8.250 nan 0.000 0.540 292 N N 0.790 119.563 118.700 0.121 0.000 2.443 292 N HA 0.062 4.802 4.740 -0.000 0.000 0.269 292 N C 0.986 176.512 175.510 0.027 0.000 0.985 292 N CA 0.538 53.635 53.050 0.078 0.000 0.921 292 N CB 2.061 40.639 38.487 0.151 0.000 1.195 292 N HN 0.194 nan 8.380 nan 0.000 0.492 293 S N 2.348 118.033 115.700 -0.025 0.000 2.442 293 S HA -0.161 4.309 4.470 -0.000 0.000 0.236 293 S C 2.450 176.996 174.600 -0.090 0.000 1.007 293 S CA 1.240 59.420 58.200 -0.033 0.000 0.965 293 S CB -0.911 62.269 63.200 -0.033 0.000 0.773 293 S HN 0.509 nan 8.310 nan 0.000 0.504 294 I N 0.115 120.551 120.570 -0.223 0.000 2.335 294 I HA 0.092 4.262 4.170 -0.000 0.000 0.251 294 I C 2.245 178.186 176.117 -0.293 0.000 1.129 294 I CA 1.326 62.414 61.300 -0.353 0.000 1.402 294 I CB -1.725 35.901 38.000 -0.623 0.000 1.069 294 I HN 0.670 nan 8.210 nan 0.000 0.424 295 Y N 0.122 120.478 120.300 0.093 0.000 2.571 295 Y HA 0.430 4.979 4.550 -0.000 0.000 0.275 295 Y C 1.550 177.498 175.900 0.079 0.000 1.179 295 Y CA 0.071 58.248 58.100 0.128 0.000 1.242 295 Y CB 0.198 38.888 38.460 0.384 0.000 1.126 295 Y HN 0.286 nan 8.280 nan 0.000 0.524 296 S N 0.517 116.292 115.700 0.124 0.000 2.537 296 S HA 0.315 4.784 4.470 -0.000 0.000 0.286 296 S C 1.245 175.875 174.600 0.049 0.000 1.299 296 S CA 1.095 59.345 58.200 0.083 0.000 1.067 296 S CB 0.172 63.393 63.200 0.035 0.000 0.864 296 S HN 0.877 nan 8.310 nan 0.000 0.494 297 G N 3.550 112.385 108.800 0.059 0.000 2.175 297 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 297 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 297 G C 0.402 175.331 174.900 0.048 0.000 0.982 297 G CA 0.350 45.470 45.100 0.033 0.000 0.641 297 G HN 0.716 nan 8.290 nan 0.000 0.527 298 L N 0.177 121.447 121.223 0.079 0.000 2.700 298 L HA 0.349 4.689 4.340 -0.000 0.000 0.234 298 L C 1.960 178.985 176.870 0.258 0.000 1.156 298 L CA 0.123 55.033 54.840 0.117 0.000 0.946 298 L CB 0.314 42.194 42.059 -0.298 0.000 1.216 298 L HN 0.098 nan 8.230 nan 0.000 0.493 299 E N 1.420 121.730 120.200 0.184 0.000 2.153 299 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 299 E C 2.347 178.986 176.600 0.065 0.000 0.988 299 E CA 1.283 57.792 56.400 0.183 0.000 0.811 299 E CB -0.151 29.605 29.700 0.094 0.000 0.746 299 E HN 0.471 nan 8.360 nan 0.000 0.466 300 A N 0.063 122.782 122.820 -0.169 0.000 2.070 300 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 300 A C 1.246 178.580 177.584 -0.418 0.000 1.159 300 A CA 0.960 52.764 52.037 -0.389 0.000 0.656 300 A CB -0.517 18.092 19.000 -0.652 0.000 0.800 300 A HN 0.252 nan 8.150 nan 0.000 0.453 301 F N -0.653 119.395 119.950 0.164 0.000 2.693 301 F HA 0.261 4.788 4.527 -0.000 0.000 0.303 301 F C 2.186 178.208 175.800 0.369 0.000 1.097 301 F CA -0.205 57.917 58.000 0.203 0.000 1.330 301 F CB -0.580 38.519 39.000 0.165 0.000 1.067 301 F HN 0.194 nan 8.300 nan 0.000 0.565 302 G N 0.050 109.136 108.800 0.476 0.000 2.475 302 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 302 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 302 G C 1.266 176.265 174.900 0.164 0.000 1.125 302 G CA 1.202 46.492 45.100 0.317 0.000 0.755 302 G HN 0.232 nan 8.290 nan 0.000 0.565 303 D N -0.064 120.420 120.400 0.140 0.000 2.349 303 D HA 0.100 4.740 4.640 -0.000 0.000 0.214 303 D C 1.399 177.747 176.300 0.079 0.000 1.063 303 D CA -0.061 53.985 54.000 0.076 0.000 0.847 303 D CB 0.596 41.424 40.800 0.047 0.000 0.933 303 D HN 0.306 nan 8.370 nan 0.000 0.513 304 V N -1.607 118.384 119.914 0.128 0.000 2.881 304 V HA 0.603 4.723 4.120 -0.000 0.000 0.303 304 V C 0.316 176.422 176.094 0.021 0.000 1.070 304 V CA -0.855 61.494 62.300 0.082 0.000 1.074 304 V CB 0.516 32.408 31.823 0.114 0.000 1.012 304 V HN 0.024 nan 8.190 nan 0.000 0.482 305 K N 3.085 123.470 120.400 -0.025 0.000 2.138 305 K HA 0.684 5.004 4.320 -0.000 0.000 0.263 305 K C 0.513 177.026 176.600 -0.146 0.000 0.965 305 K CA -0.317 55.931 56.287 -0.064 0.000 0.868 305 K CB 1.033 33.501 32.500 -0.053 0.000 1.083 305 K HN 0.839 nan 8.250 nan 0.000 0.443 306 L N 0.931 122.057 121.223 -0.162 0.000 2.013 306 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 306 L C 2.833 179.385 176.870 -0.531 0.000 1.073 306 L CA 2.046 56.725 54.840 -0.268 0.000 0.753 306 L CB -0.085 41.881 42.059 -0.155 0.000 0.890 306 L HN 1.004 nan 8.230 nan 0.000 0.432 307 E N -0.493 119.481 120.200 -0.377 0.000 2.338 307 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 307 E C 0.661 177.016 176.600 -0.407 0.000 1.007 307 E CA 1.245 57.392 56.400 -0.422 0.000 0.849 307 E CB -0.304 29.369 29.700 -0.045 0.000 0.774 307 E HN 0.530 nan 8.360 nan 0.000 0.506 308 D N 0.979 121.199 120.400 -0.301 0.000 2.349 308 D HA -0.004 4.636 4.640 -0.000 0.000 0.214 308 D C 0.933 177.129 176.300 -0.173 0.000 1.063 308 D CA 1.159 55.067 54.000 -0.154 0.000 0.847 308 D CB 0.632 41.390 40.800 -0.070 0.000 0.933 308 D HN 0.375 nan 8.370 nan 0.000 0.513 309 T N -2.901 111.440 114.554 -0.355 0.000 3.200 309 T HA 0.069 4.419 4.350 -0.000 0.000 0.284 309 T C 1.253 175.789 174.700 -0.273 0.000 1.009 309 T CA -0.398 61.550 62.100 -0.252 0.000 0.907 309 T CB -0.466 68.255 68.868 -0.246 0.000 1.120 309 T HN -0.142 nan 8.240 nan 0.000 0.534 310 Y N 1.078 121.280 120.300 -0.163 0.000 2.256 310 Y HA 0.168 4.718 4.550 -0.000 0.000 0.288 310 Y C 1.041 176.498 175.900 -0.739 0.000 1.155 310 Y CA 0.550 58.386 58.100 -0.439 0.000 1.203 310 Y CB -0.412 37.758 38.460 -0.483 0.000 0.980 310 Y HN 0.391 nan 8.280 nan 0.000 0.530 311 F N -1.200 118.818 119.950 0.115 0.000 2.791 311 F HA 0.193 4.720 4.527 -0.000 0.000 0.316 311 F C 0.187 176.002 175.800 0.025 0.000 1.134 311 F CA -1.120 56.918 58.000 0.063 0.000 1.222 311 F CB 0.263 39.307 39.000 0.073 0.000 1.034 311 F HN -0.226 nan 8.300 nan 0.000 0.516 312 D N 0.967 121.419 120.400 0.088 0.000 2.346 312 D HA 0.034 4.674 4.640 -0.000 0.000 0.260 312 D C 1.473 177.792 176.300 0.031 0.000 1.252 312 D CA 0.281 54.314 54.000 0.056 0.000 0.895 312 D CB 0.982 41.787 40.800 0.008 0.000 1.097 312 D HN -0.041 nan 8.370 nan 0.000 0.489 313 R N 2.761 123.296 120.500 0.059 0.000 2.148 313 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 313 R C 1.289 177.606 176.300 0.028 0.000 1.088 313 R CA 0.845 56.969 56.100 0.040 0.000 0.985 313 R CB -0.337 29.994 30.300 0.052 0.000 0.880 313 R HN 0.608 nan 8.270 nan 0.000 0.451 314 D N -0.021 120.417 120.400 0.063 0.000 2.097 314 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 314 D C 2.002 178.286 176.300 -0.027 0.000 0.984 314 D CA 1.326 55.397 54.000 0.118 0.000 0.826 314 D CB -0.323 40.638 40.800 0.268 0.000 0.973 314 D HN 0.143 nan 8.370 nan 0.000 0.460 315 V N 1.397 121.221 119.914 -0.151 0.000 2.295 315 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 315 V C 2.505 178.459 176.094 -0.234 0.000 1.049 315 V CA 1.807 63.823 62.300 -0.473 0.000 1.024 315 V CB -0.451 31.152 31.823 -0.366 0.000 0.648 315 V HN 0.236 nan 8.190 nan 0.000 0.447 316 E N 0.405 120.521 120.200 -0.140 0.000 2.038 316 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 316 E C 2.463 179.025 176.600 -0.063 0.000 1.000 316 E CA 1.986 58.330 56.400 -0.093 0.000 0.803 316 E CB 0.011 29.669 29.700 -0.071 0.000 0.750 316 E HN 0.471 nan 8.360 nan 0.000 0.448 317 K N -0.014 120.354 120.400 -0.053 0.000 2.032 317 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 317 K C 2.195 178.758 176.600 -0.061 0.000 1.048 317 K CA 1.052 57.315 56.287 -0.042 0.000 0.927 317 K CB -0.929 31.566 32.500 -0.009 0.000 0.712 317 K HN 0.462 nan 8.250 nan 0.000 0.441 318 A N 0.000 122.765 122.820 -0.093 0.000 1.877 318 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 318 A C 2.128 179.543 177.584 -0.283 0.000 1.186 318 A CA 1.779 53.709 52.037 -0.177 0.000 0.620 318 A CB -0.658 18.178 19.000 -0.274 0.000 0.822 318 A HN 0.444 nan 8.150 nan 0.000 0.443 319 F N -0.910 118.874 119.950 -0.277 0.000 2.512 319 F HA 0.088 4.615 4.527 -0.000 0.000 0.296 319 F C 2.384 178.097 175.800 -0.146 0.000 1.110 319 F CA 0.963 58.835 58.000 -0.214 0.000 1.446 319 F CB -0.333 38.514 39.000 -0.255 0.000 1.092 319 F HN 0.092 nan 8.300 nan 0.000 0.554 320 M N -0.483 119.106 119.600 -0.019 0.000 2.132 320 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 320 M C 2.525 178.777 176.300 -0.080 0.000 1.065 320 M CA 1.567 56.817 55.300 -0.083 0.000 1.122 320 M CB -0.335 32.191 32.600 -0.123 0.000 1.365 320 M HN -0.068 nan 8.290 nan 0.000 0.411 321 K N 0.440 120.792 120.400 -0.080 0.000 2.026 321 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 321 K C 1.922 178.480 176.600 -0.070 0.000 1.048 321 K CA 1.445 57.691 56.287 -0.069 0.000 0.929 321 K CB -0.825 31.635 32.500 -0.067 0.000 0.713 321 K HN 0.490 nan 8.250 nan 0.000 0.439 322 A N 0.530 123.278 122.820 -0.121 0.000 2.067 322 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 322 A C 2.076 179.639 177.584 -0.035 0.000 1.158 322 A CA 1.964 53.928 52.037 -0.122 0.000 0.661 322 A CB -0.552 18.282 19.000 -0.276 0.000 0.801 322 A HN 0.709 nan 8.150 nan 0.000 0.452 323 S N -0.391 115.311 115.700 0.004 0.000 2.557 323 S HA 0.052 4.522 4.470 -0.000 0.000 0.223 323 S C 1.614 176.270 174.600 0.093 0.000 0.969 323 S CA 0.684 58.925 58.200 0.068 0.000 0.927 323 S CB -0.373 62.887 63.200 0.100 0.000 0.806 323 S HN 0.752 nan 8.310 nan 0.000 0.489 324 S N 1.911 117.646 115.700 0.057 0.000 2.370 324 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 324 S C 1.724 176.414 174.600 0.150 0.000 1.033 324 S CA 1.405 59.666 58.200 0.102 0.000 1.011 324 S CB -0.572 62.658 63.200 0.050 0.000 0.852 324 S HN 0.460 nan 8.310 nan 0.000 0.457 325 E N 1.336 121.590 120.200 0.090 0.000 2.107 325 E HA 0.159 4.509 4.350 -0.000 0.000 0.191 325 E C 1.981 178.628 176.600 0.078 0.000 0.982 325 E CA 0.844 57.286 56.400 0.071 0.000 0.809 325 E CB -0.502 29.218 29.700 0.034 0.000 0.756 325 E HN 0.617 nan 8.360 nan 0.000 0.459 326 L N -0.387 120.892 121.223 0.093 0.000 2.083 326 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 326 L C 2.220 179.176 176.870 0.143 0.000 1.083 326 L CA 1.059 55.959 54.840 0.099 0.000 0.752 326 L CB -0.473 41.657 42.059 0.119 0.000 0.899 326 L HN 0.175 nan 8.230 nan 0.000 0.433 327 F N 0.431 120.403 119.950 0.037 0.000 2.075 327 F HA -0.269 4.257 4.527 -0.000 0.000 0.297 327 F C 2.903 178.736 175.800 0.054 0.000 1.113 327 F CA 1.739 59.763 58.000 0.040 0.000 1.218 327 F CB -0.476 38.530 39.000 0.010 0.000 0.984 327 F HN -0.001 nan 8.300 nan 0.000 0.472 328 S N -0.278 115.429 115.700 0.012 0.000 2.365 328 S HA -0.294 4.176 4.470 -0.000 0.000 0.225 328 S C 1.983 176.559 174.600 -0.040 0.000 1.039 328 S CA 1.996 60.160 58.200 -0.060 0.000 1.033 328 S CB -0.450 62.778 63.200 0.046 0.000 0.887 328 S HN 0.676 nan 8.310 nan 0.000 0.447 329 Q N -0.163 119.635 119.800 -0.003 0.000 2.123 329 Q HA 0.048 4.387 4.340 -0.000 0.000 0.199 329 Q C 2.208 178.193 176.000 -0.025 0.000 0.966 329 Q CA 1.172 56.974 55.803 -0.001 0.000 0.845 329 Q CB -0.002 28.712 28.738 -0.040 0.000 0.907 329 Q HN 0.519 nan 8.270 nan 0.000 0.439 330 K N -1.239 119.142 120.400 -0.032 0.000 2.335 330 K HA 0.139 4.459 4.320 -0.000 0.000 0.195 330 K C 1.177 177.841 176.600 0.108 0.000 1.058 330 K CA 0.993 57.276 56.287 -0.006 0.000 0.988 330 K CB 0.803 33.303 32.500 -0.001 0.000 0.880 330 K HN -0.005 nan 8.250 nan 0.000 0.513 331 T N -0.055 114.469 114.554 -0.050 0.000 3.048 331 T HA 0.018 4.368 4.350 -0.000 0.000 0.254 331 T C 1.384 175.882 174.700 -0.336 0.000 0.942 331 T CA 0.029 62.066 62.100 -0.104 0.000 0.931 331 T CB 0.330 69.208 68.868 0.016 0.000 1.220 331 T HN -0.078 nan 8.240 nan 0.000 0.503 332 K N 2.980 123.003 120.400 -0.629 0.000 2.026 332 K HA 0.140 4.460 4.320 -0.000 0.000 0.208 332 K C 2.228 178.719 176.600 -0.182 0.000 1.048 332 K CA 1.796 57.742 56.287 -0.568 0.000 0.929 332 K CB -0.763 31.432 32.500 -0.508 0.000 0.713 332 K HN 0.235 nan 8.250 nan 0.000 0.439 333 A N 0.375 123.161 122.820 -0.057 0.000 1.933 333 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 333 A C 2.178 179.763 177.584 0.002 0.000 1.175 333 A CA 2.319 54.363 52.037 0.012 0.000 0.628 333 A CB -1.182 17.910 19.000 0.155 0.000 0.814 333 A HN 0.579 nan 8.150 nan 0.000 0.444 334 S N -0.174 115.532 115.700 0.010 0.000 2.465 334 S HA -0.065 4.405 4.470 -0.000 0.000 0.241 334 S C 1.460 176.056 174.600 -0.006 0.000 1.000 334 S CA 1.392 59.590 58.200 -0.003 0.000 0.964 334 S CB -0.625 62.581 63.200 0.011 0.000 0.763 334 S HN 0.459 nan 8.310 nan 0.000 0.512 335 L N 0.642 121.855 121.223 -0.017 0.000 2.612 335 L HA 0.228 4.568 4.340 -0.000 0.000 0.230 335 L C 2.079 178.931 176.870 -0.029 0.000 1.140 335 L CA -0.076 54.758 54.840 -0.009 0.000 0.896 335 L CB -0.371 41.695 42.059 0.012 0.000 1.065 335 L HN 0.294 nan 8.230 nan 0.000 0.447 336 L N -0.065 121.133 121.223 -0.042 0.000 1.997 336 L HA -0.238 4.102 4.340 -0.000 0.000 0.216 336 L C 2.311 179.128 176.870 -0.088 0.000 1.074 336 L CA 2.082 56.883 54.840 -0.066 0.000 0.763 336 L CB -0.490 41.528 42.059 -0.068 0.000 0.890 336 L HN -0.007 nan 8.230 nan 0.000 0.434 337 V N -0.998 118.870 119.914 -0.076 0.000 2.358 337 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 337 V C 2.765 178.805 176.094 -0.091 0.000 1.047 337 V CA 1.711 63.948 62.300 -0.106 0.000 1.035 337 V CB -0.619 31.172 31.823 -0.054 0.000 0.658 337 V HN 0.704 nan 8.190 nan 0.000 0.452 338 S N 0.478 116.150 115.700 -0.048 0.000 2.359 338 S HA -0.313 4.157 4.470 -0.000 0.000 0.224 338 S C 2.071 176.645 174.600 -0.044 0.000 1.035 338 S CA 2.290 60.471 58.200 -0.033 0.000 1.018 338 S CB -0.710 62.478 63.200 -0.021 0.000 0.876 338 S HN 0.706 nan 8.310 nan 0.000 0.448 339 N N -0.388 118.283 118.700 -0.049 0.000 2.166 339 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 339 N C 1.448 176.900 175.510 -0.098 0.000 1.019 339 N CA 1.162 54.182 53.050 -0.051 0.000 0.856 339 N CB -0.145 38.319 38.487 -0.039 0.000 0.993 339 N HN 0.475 nan 8.380 nan 0.000 0.426 340 Q N -0.394 119.319 119.800 -0.145 0.000 2.392 340 Q HA 0.071 4.411 4.340 -0.000 0.000 0.203 340 Q C 0.453 176.297 176.000 -0.261 0.000 0.917 340 Q CA 0.484 56.149 55.803 -0.230 0.000 0.939 340 Q CB 0.396 28.978 28.738 -0.260 0.000 1.063 340 Q HN 0.399 nan 8.270 nan 0.000 0.516 341 N N -0.692 117.897 118.700 -0.185 0.000 2.149 341 N HA 0.145 4.884 4.740 -0.000 0.000 0.229 341 N C 0.241 175.722 175.510 -0.049 0.000 1.284 341 N CA 0.951 53.913 53.050 -0.146 0.000 0.864 341 N CB 1.244 39.607 38.487 -0.206 0.000 1.169 341 N HN 0.177 nan 8.380 nan 0.000 0.478 342 G N 0.790 109.569 108.800 -0.036 0.000 2.587 342 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.212 342 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.212 342 G C -0.940 173.980 174.900 0.033 0.000 1.327 342 G CA -0.304 44.802 45.100 0.010 0.000 0.898 342 G HN 0.436 nan 8.290 nan 0.000 0.551 343 N N 0.651 119.392 118.700 0.069 0.000 2.411 343 N HA 0.457 5.197 4.740 -0.000 0.000 0.259 343 N C 1.236 176.785 175.510 0.064 0.000 1.103 343 N CA -0.211 52.903 53.050 0.107 0.000 0.954 343 N CB 0.385 39.000 38.487 0.214 0.000 1.085 343 N HN 0.483 nan 8.380 nan 0.000 0.485 344 M N 3.805 123.480 119.600 0.125 0.000 2.493 344 M HA 0.054 4.534 4.480 -0.000 0.000 0.244 344 M C -0.096 176.352 176.300 0.245 0.000 1.182 344 M CA -0.452 54.922 55.300 0.123 0.000 0.981 344 M CB -0.106 32.583 32.600 0.147 0.000 1.551 344 M HN 0.400 nan 8.290 nan 0.000 0.476 345 Y N -0.556 119.883 120.300 0.232 0.000 2.817 345 Y HA -0.493 4.057 4.550 -0.000 0.000 0.471 345 Y C 2.438 178.430 175.900 0.152 0.000 1.142 345 Y CA 1.903 60.128 58.100 0.207 0.000 2.725 345 Y CB -2.227 36.305 38.460 0.121 0.000 1.169 345 Y HN 0.423 nan 8.280 nan 0.000 0.619 346 T N -1.558 113.157 114.554 0.270 0.000 2.803 346 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 346 T C 1.657 176.497 174.700 0.232 0.000 1.052 346 T CA 2.432 64.623 62.100 0.151 0.000 1.136 346 T CB -0.755 68.172 68.868 0.098 0.000 0.864 346 T HN 0.705 nan 8.240 nan 0.000 0.467 347 S N 0.397 116.252 115.700 0.258 0.000 2.593 347 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 347 S C 2.095 176.851 174.600 0.261 0.000 0.966 347 S CA 0.558 58.934 58.200 0.294 0.000 0.914 347 S CB -0.298 63.039 63.200 0.230 0.000 0.776 347 S HN 0.453 nan 8.310 nan 0.000 0.523 348 S N 1.341 117.196 115.700 0.259 0.000 2.359 348 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 348 S C 1.820 176.482 174.600 0.102 0.000 1.039 348 S CA 1.634 59.959 58.200 0.208 0.000 1.042 348 S CB -0.828 62.550 63.200 0.297 0.000 0.915 348 S HN 0.498 nan 8.310 nan 0.000 0.439 349 V N 0.506 120.438 119.914 0.030 0.000 2.490 349 V HA -0.107 4.013 4.120 -0.000 0.000 0.250 349 V C 1.786 177.659 176.094 -0.368 0.000 1.061 349 V CA 1.920 64.098 62.300 -0.204 0.000 1.064 349 V CB -0.716 30.895 31.823 -0.353 0.000 0.670 349 V HN 0.724 nan 8.190 nan 0.000 0.461 350 Y N 1.006 121.350 120.300 0.073 0.000 2.373 350 Y HA 0.146 4.696 4.550 -0.000 0.000 0.293 350 Y C 2.518 178.450 175.900 0.053 0.000 1.129 350 Y CA 0.947 59.079 58.100 0.053 0.000 1.226 350 Y CB -1.119 37.373 38.460 0.052 0.000 1.000 350 Y HN 0.306 nan 8.280 nan 0.000 0.549 351 G N -1.030 107.854 108.800 0.141 0.000 2.422 351 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 351 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 351 G C 1.820 176.747 174.900 0.045 0.000 1.140 351 G CA 1.150 46.311 45.100 0.101 0.000 0.775 351 G HN 0.353 nan 8.290 nan 0.000 0.545 352 S N 0.231 115.939 115.700 0.013 0.000 2.371 352 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 352 S C 2.135 176.717 174.600 -0.030 0.000 1.029 352 S CA 0.882 59.076 58.200 -0.010 0.000 0.978 352 S CB -0.250 62.946 63.200 -0.007 0.000 0.833 352 S HN 0.249 nan 8.310 nan 0.000 0.466 353 L N 2.363 123.564 121.223 -0.036 0.000 2.012 353 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 353 L C 2.370 179.234 176.870 -0.012 0.000 1.073 353 L CA 2.035 56.856 54.840 -0.031 0.000 0.748 353 L CB -1.195 40.884 42.059 0.034 0.000 0.891 353 L HN 0.251 nan 8.230 nan 0.000 0.431 354 A N -1.489 121.350 122.820 0.033 0.000 1.908 354 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 354 A C 2.380 179.969 177.584 0.008 0.000 1.181 354 A CA 2.090 54.148 52.037 0.035 0.000 0.627 354 A CB -1.003 18.041 19.000 0.073 0.000 0.818 354 A HN 0.564 nan 8.150 nan 0.000 0.445 355 S N -0.481 115.219 115.700 -0.000 0.000 2.368 355 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 355 S C 1.886 176.473 174.600 -0.022 0.000 1.030 355 S CA 1.426 59.616 58.200 -0.016 0.000 0.999 355 S CB -0.473 62.715 63.200 -0.019 0.000 0.844 355 S HN 0.368 nan 8.310 nan 0.000 0.459 356 V N 2.186 122.072 119.914 -0.047 0.000 2.295 356 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 356 V C 2.165 178.242 176.094 -0.029 0.000 1.049 356 V CA 1.507 63.758 62.300 -0.081 0.000 1.024 356 V CB -0.753 30.864 31.823 -0.343 0.000 0.648 356 V HN 0.425 nan 8.190 nan 0.000 0.447 357 L N 0.196 121.384 121.223 -0.059 0.000 2.131 357 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 357 L C 2.614 179.480 176.870 -0.007 0.000 1.092 357 L CA 1.385 56.206 54.840 -0.030 0.000 0.759 357 L CB -0.721 41.323 42.059 -0.025 0.000 0.903 357 L HN 0.372 nan 8.230 nan 0.000 0.435 358 A N -0.762 122.049 122.820 -0.014 0.000 2.066 358 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 358 A C 2.040 179.588 177.584 -0.060 0.000 1.157 358 A CA 1.184 53.206 52.037 -0.026 0.000 0.670 358 A CB -0.114 18.872 19.000 -0.023 0.000 0.804 358 A HN 0.529 nan 8.150 nan 0.000 0.453 359 Q N -2.516 117.227 119.800 -0.094 0.000 2.189 359 Q HA 0.235 4.575 4.340 -0.000 0.000 0.223 359 Q C -1.112 174.621 176.000 -0.446 0.000 0.828 359 Q CA -0.097 55.553 55.803 -0.256 0.000 0.967 359 Q CB 0.786 29.330 28.738 -0.324 0.000 1.139 359 Q HN 0.690 nan 8.270 nan 0.000 0.497 360 Y N 0.533 120.790 120.300 -0.071 0.000 2.446 360 Y HA 0.289 4.839 4.550 -0.000 0.000 0.345 360 Y C 0.497 176.381 175.900 -0.026 0.000 0.984 360 Y CA -1.184 56.893 58.100 -0.040 0.000 1.058 360 Y CB 1.635 40.053 38.460 -0.070 0.000 1.220 360 Y HN -0.090 nan 8.280 nan 0.000 0.455 361 S N 1.995 117.787 115.700 0.154 0.000 2.600 361 S HA 0.193 4.663 4.470 -0.000 0.000 0.265 361 S C -2.068 172.591 174.600 0.099 0.000 1.325 361 S CA -0.971 57.286 58.200 0.094 0.000 1.002 361 S CB 1.192 64.437 63.200 0.075 0.000 0.921 361 S HN 0.457 nan 8.310 nan 0.000 0.554 362 P HA -0.122 nan 4.420 nan 0.000 0.216 362 P C 1.284 178.625 177.300 0.068 0.000 1.150 362 P CA 1.326 64.461 63.100 0.058 0.000 0.843 362 P CB -0.027 31.698 31.700 0.042 0.000 0.787 363 Q N -0.618 119.224 119.800 0.070 0.000 2.119 363 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 363 Q C 2.216 178.270 176.000 0.089 0.000 0.972 363 Q CA 1.429 57.273 55.803 0.068 0.000 0.847 363 Q CB -0.888 27.885 28.738 0.058 0.000 0.903 363 Q HN 0.422 nan 8.270 nan 0.000 0.433 364 Q N -0.506 119.370 119.800 0.126 0.000 2.297 364 Q HA -0.004 4.336 4.340 -0.000 0.000 0.204 364 Q C 1.518 177.620 176.000 0.171 0.000 0.962 364 Q CA 0.722 56.628 55.803 0.172 0.000 0.879 364 Q CB 0.161 29.079 28.738 0.301 0.000 0.947 364 Q HN 0.369 nan 8.270 nan 0.000 0.462 365 L N -0.354 120.952 121.223 0.138 0.000 2.463 365 L HA 0.230 4.570 4.340 -0.000 0.000 0.219 365 L C 0.819 177.754 176.870 0.109 0.000 1.088 365 L CA -0.516 54.402 54.840 0.130 0.000 0.849 365 L CB 0.017 42.105 42.059 0.049 0.000 1.012 365 L HN -0.030 nan 8.230 nan 0.000 0.468 366 A N 0.578 123.448 122.820 0.083 0.000 2.548 366 A HA 0.356 4.676 4.320 -0.000 0.000 0.247 366 A C 1.447 179.070 177.584 0.066 0.000 1.067 366 A CA 0.803 52.880 52.037 0.066 0.000 0.757 366 A CB -0.423 18.610 19.000 0.055 0.000 0.996 366 A HN 0.599 nan 8.150 nan 0.000 0.504 367 G N 1.880 110.720 108.800 0.067 0.000 2.205 367 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.261 367 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.261 367 G C 0.394 175.343 174.900 0.082 0.000 0.980 367 G CA 0.632 45.773 45.100 0.068 0.000 0.632 367 G HN 0.774 nan 8.290 nan 0.000 0.533 368 K N 0.407 120.865 120.400 0.098 0.000 2.202 368 K HA 0.332 4.652 4.320 -0.000 0.000 0.264 368 K C 0.583 177.276 176.600 0.155 0.000 1.010 368 K CA -0.592 55.764 56.287 0.115 0.000 0.940 368 K CB 1.075 33.674 32.500 0.166 0.000 0.983 368 K HN 0.361 nan 8.250 nan 0.000 0.475 369 R N 2.754 123.363 120.500 0.183 0.000 2.254 369 R HA 0.271 4.611 4.340 -0.000 0.000 0.318 369 R C -0.473 175.999 176.300 0.288 0.000 1.031 369 R CA -0.347 55.910 56.100 0.263 0.000 0.905 369 R CB 0.357 30.869 30.300 0.354 0.000 1.050 369 R HN 0.508 nan 8.270 nan 0.000 0.456 370 I N 4.064 124.761 120.570 0.210 0.000 2.328 370 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 370 I C 0.796 176.880 176.117 -0.054 0.000 1.012 370 I CA -0.660 60.697 61.300 0.095 0.000 1.195 370 I CB 1.814 39.823 38.000 0.015 0.000 1.350 370 I HN 0.708 nan 8.210 nan 0.000 0.464 371 G N 5.730 114.314 108.800 -0.359 0.000 2.390 371 G HA2 0.486 4.445 3.960 -0.000 0.000 0.270 371 G HA3 0.486 4.445 3.960 -0.000 0.000 0.270 371 G C -0.533 173.925 174.900 -0.738 0.000 1.211 371 G CA -0.184 44.400 45.100 -0.861 0.000 0.842 371 G HN 0.378 nan 8.290 nan 0.000 0.519 372 V N 3.055 122.546 119.914 -0.706 0.000 2.409 372 V HA 0.345 4.465 4.120 -0.000 0.000 0.290 372 V C -1.032 174.766 176.094 -0.495 0.000 1.017 372 V CA -0.779 61.103 62.300 -0.697 0.000 0.841 372 V CB 1.260 32.456 31.823 -1.045 0.000 1.003 372 V HN 0.666 nan 8.190 nan 0.000 0.426 373 F N 4.332 123.945 119.950 -0.562 0.000 2.361 373 F HA 0.684 5.211 4.527 -0.000 0.000 0.364 373 F C 0.295 176.036 175.800 -0.099 0.000 1.117 373 F CA -0.160 57.655 58.000 -0.309 0.000 1.071 373 F CB 1.566 40.342 39.000 -0.374 0.000 1.188 373 F HN 0.442 nan 8.300 nan 0.000 0.464 374 S N 6.588 121.959 115.700 -0.549 0.000 2.449 374 S HA 0.500 4.970 4.470 -0.000 0.000 0.310 374 S C -1.603 172.682 174.600 -0.525 0.000 1.096 374 S CA -0.324 57.648 58.200 -0.380 0.000 1.095 374 S CB 0.415 63.550 63.200 -0.109 0.000 1.007 374 S HN 0.643 nan 8.310 nan 0.000 0.474 375 Y N 2.785 122.749 120.300 -0.559 0.000 2.462 375 Y HA 0.682 5.232 4.550 -0.000 0.000 0.346 375 Y C -0.083 175.640 175.900 -0.295 0.000 0.976 375 Y CA -0.438 57.387 58.100 -0.459 0.000 1.044 375 Y CB 1.861 40.043 38.460 -0.464 0.000 1.230 375 Y HN 0.772 nan 8.280 nan 0.000 0.455 376 G N 2.871 111.114 108.800 -0.928 0.000 2.687 376 G HA2 0.448 4.408 3.960 -0.000 0.000 0.301 376 G HA3 0.448 4.408 3.960 -0.000 0.000 0.301 376 G C -1.329 172.952 174.900 -1.031 0.000 1.416 376 G CA -0.836 43.806 45.100 -0.763 0.000 1.005 376 G HN 0.673 nan 8.290 nan 0.000 0.509 377 S N -0.400 114.948 115.700 -0.586 0.000 2.566 377 S HA 0.443 4.913 4.470 -0.000 0.000 0.280 377 S C 1.525 176.044 174.600 -0.135 0.000 1.343 377 S CA 1.442 59.528 58.200 -0.191 0.000 1.036 377 S CB 1.055 64.310 63.200 0.091 0.000 0.866 377 S HN 2.041 nan 8.310 nan 0.000 0.526 378 G N 0.294 109.066 108.800 -0.046 0.000 2.352 378 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.204 378 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.204 378 G C -0.411 174.397 174.900 -0.154 0.000 1.004 378 G CA -0.016 45.032 45.100 -0.087 0.000 0.648 378 G HN 1.021 nan 8.290 nan 0.000 0.491 379 L N -1.985 119.130 121.223 -0.181 0.000 2.376 379 L HA 1.065 5.405 4.340 -0.000 0.000 0.258 379 L C -0.370 176.272 176.870 -0.380 0.000 1.013 379 L CA -0.865 53.805 54.840 -0.284 0.000 0.822 379 L CB 1.978 43.940 42.059 -0.161 0.000 1.388 379 L HN 1.329 nan 8.230 nan 0.000 0.413 380 A N 1.036 123.510 122.820 -0.576 0.000 2.398 380 A HA 1.029 5.349 4.320 -0.000 0.000 0.301 380 A C -0.811 176.222 177.584 -0.919 0.000 1.041 380 A CA 0.122 51.705 52.037 -0.757 0.000 0.711 380 A CB 1.445 19.892 19.000 -0.923 0.000 1.240 380 A HN 1.745 nan 8.150 nan 0.000 0.420 381 A N 1.244 123.691 122.820 -0.622 0.000 2.572 381 A HA 0.938 5.258 4.320 -0.000 0.000 0.295 381 A C -0.610 177.002 177.584 0.047 0.000 1.072 381 A CA -0.497 51.383 52.037 -0.262 0.000 0.691 381 A CB 1.589 20.619 19.000 0.049 0.000 1.291 381 A HN 1.089 nan 8.150 nan 0.000 0.404 382 T N 1.484 116.192 114.554 0.255 0.000 2.971 382 T HA 0.507 4.857 4.350 -0.000 0.000 0.304 382 T C -1.168 173.774 174.700 0.404 0.000 1.038 382 T CA -0.247 62.105 62.100 0.420 0.000 1.007 382 T CB 1.239 70.511 68.868 0.673 0.000 1.055 382 T HN 0.668 nan 8.240 nan 0.000 0.451 383 L N 5.042 126.526 121.223 0.434 0.000 2.272 383 L HA 0.742 5.082 4.340 -0.000 0.000 0.289 383 L C -1.051 176.051 176.870 0.386 0.000 1.032 383 L CA -0.631 54.402 54.840 0.322 0.000 0.810 383 L CB 0.371 42.567 42.059 0.228 0.000 1.205 383 L HN 0.838 nan 8.230 nan 0.000 0.422 384 Y N 2.220 122.641 120.300 0.201 0.000 2.805 384 Y HA 0.868 5.418 4.550 -0.000 0.000 0.323 384 Y C -0.794 175.250 175.900 0.240 0.000 1.279 384 Y CA -0.942 57.359 58.100 0.335 0.000 1.103 384 Y CB 1.394 40.113 38.460 0.431 0.000 1.324 384 Y HN 0.474 nan 8.280 nan 0.000 0.498 385 S N 0.681 116.661 115.700 0.467 0.000 2.564 385 S HA 0.797 5.267 4.470 -0.000 0.000 0.274 385 S C -1.689 173.096 174.600 0.309 0.000 1.124 385 S CA -0.904 57.461 58.200 0.275 0.000 0.869 385 S CB 1.726 65.212 63.200 0.477 0.000 1.105 385 S HN 0.797 nan 8.310 nan 0.000 0.472 386 L N 1.283 122.590 121.223 0.141 0.000 2.342 386 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 386 L C -0.136 176.799 176.870 0.110 0.000 1.008 386 L CA -0.818 54.059 54.840 0.062 0.000 0.818 386 L CB 1.786 43.801 42.059 -0.073 0.000 1.296 386 L HN 0.577 nan 8.230 nan 0.000 0.427 387 K N 1.916 122.371 120.400 0.093 0.000 2.274 387 K HA 0.474 4.794 4.320 -0.000 0.000 0.262 387 K C -1.072 175.569 176.600 0.068 0.000 0.961 387 K CA -0.705 55.647 56.287 0.109 0.000 0.833 387 K CB 2.493 35.068 32.500 0.126 0.000 1.102 387 K HN 0.249 nan 8.250 nan 0.000 0.436 388 V N 2.322 122.281 119.914 0.074 0.000 2.583 388 V HA 0.024 4.144 4.120 -0.000 0.000 0.287 388 V C 1.117 177.246 176.094 0.058 0.000 1.051 388 V CA -0.289 62.044 62.300 0.055 0.000 1.010 388 V CB 1.310 33.170 31.823 0.061 0.000 0.988 388 V HN 0.791 nan 8.190 nan 0.000 0.478 389 T N 3.311 117.894 114.554 0.048 0.000 2.856 389 T HA -0.038 4.311 4.350 -0.000 0.000 0.329 389 T C 1.002 175.732 174.700 0.050 0.000 1.094 389 T CA 0.095 62.225 62.100 0.050 0.000 1.112 389 T CB 0.502 69.397 68.868 0.045 0.000 1.009 389 T HN 0.774 nan 8.240 nan 0.000 0.550 390 Q N 1.159 120.988 119.800 0.048 0.000 2.425 390 Q HA 0.063 4.403 4.340 -0.000 0.000 0.204 390 Q C 0.099 176.123 176.000 0.040 0.000 0.933 390 Q CA 0.243 56.072 55.803 0.044 0.000 0.939 390 Q CB 0.052 28.815 28.738 0.041 0.000 1.044 390 Q HN 0.624 nan 8.270 nan 0.000 0.513 391 D N 0.555 120.979 120.400 0.039 0.000 2.393 391 D HA 0.243 4.883 4.640 -0.000 0.000 0.232 391 D C -0.226 176.096 176.300 0.036 0.000 1.192 391 D CA -0.167 53.855 54.000 0.036 0.000 0.882 391 D CB 0.668 41.490 40.800 0.037 0.000 1.038 391 D HN 0.052 nan 8.370 nan 0.000 0.499 392 A N 3.214 126.055 122.820 0.035 0.000 2.574 392 A HA 0.206 4.526 4.320 -0.000 0.000 0.283 392 A C 0.924 178.527 177.584 0.031 0.000 1.270 392 A CA -0.325 51.733 52.037 0.035 0.000 0.945 392 A CB -0.355 18.669 19.000 0.040 0.000 1.127 392 A HN 0.505 nan 8.150 nan 0.000 0.522 393 T N -1.505 113.066 114.554 0.029 0.000 2.860 393 T HA 0.424 4.774 4.350 -0.000 0.000 0.299 393 T C -2.782 171.932 174.700 0.024 0.000 1.045 393 T CA -1.502 60.613 62.100 0.025 0.000 1.071 393 T CB 0.293 69.175 68.868 0.024 0.000 0.985 393 T HN 0.049 nan 8.240 nan 0.000 0.537 394 P HA 0.272 nan 4.420 nan 0.000 0.265 394 P C 1.166 178.478 177.300 0.020 0.000 1.193 394 P CA 1.112 64.223 63.100 0.019 0.000 0.765 394 P CB 0.180 31.890 31.700 0.017 0.000 0.823 395 G N 1.809 110.621 108.800 0.019 0.000 2.205 395 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.261 395 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.261 395 G C 0.494 175.408 174.900 0.024 0.000 0.980 395 G CA 0.392 45.504 45.100 0.020 0.000 0.632 395 G HN 0.796 nan 8.290 nan 0.000 0.533 396 S N 0.220 115.935 115.700 0.025 0.000 2.580 396 S HA 0.618 5.088 4.470 -0.000 0.000 0.266 396 S C 1.876 176.493 174.600 0.029 0.000 1.354 396 S CA 0.591 58.809 58.200 0.029 0.000 1.008 396 S CB 1.433 64.651 63.200 0.030 0.000 0.898 396 S HN 1.763 nan 8.310 nan 0.000 0.555 397 A N 0.906 123.747 122.820 0.034 0.000 1.940 397 A HA -0.076 4.243 4.320 -0.000 0.000 0.219 397 A C 2.042 179.642 177.584 0.026 0.000 1.176 397 A CA 1.672 53.729 52.037 0.033 0.000 0.631 397 A CB -0.970 18.056 19.000 0.044 0.000 0.814 397 A HN 0.893 nan 8.150 nan 0.000 0.446 398 L N 0.149 121.388 121.223 0.027 0.000 2.056 398 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 398 L C 1.938 178.820 176.870 0.021 0.000 1.078 398 L CA 2.647 57.501 54.840 0.023 0.000 0.749 398 L CB -0.693 41.383 42.059 0.028 0.000 0.901 398 L HN 0.474 nan 8.230 nan 0.000 0.433 399 D N -0.607 119.806 120.400 0.022 0.000 2.117 399 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 399 D C 2.068 178.376 176.300 0.014 0.000 0.987 399 D CA 1.460 55.471 54.000 0.019 0.000 0.829 399 D CB 0.076 40.888 40.800 0.020 0.000 0.961 399 D HN 0.316 nan 8.370 nan 0.000 0.460 400 K N -0.111 120.297 120.400 0.013 0.000 2.057 400 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 400 K C 2.375 178.977 176.600 0.003 0.000 1.050 400 K CA 0.758 57.050 56.287 0.008 0.000 0.935 400 K CB -0.119 32.386 32.500 0.009 0.000 0.715 400 K HN 0.274 nan 8.250 nan 0.000 0.439 401 I N 1.520 122.093 120.570 0.004 0.000 2.353 401 I HA -0.254 3.915 4.170 -0.000 0.000 0.248 401 I C 2.356 178.473 176.117 0.000 0.000 1.119 401 I CA 1.475 62.775 61.300 -0.000 0.000 1.417 401 I CB -0.142 37.858 38.000 0.000 0.000 1.078 401 I HN 0.284 nan 8.210 nan 0.000 0.421 402 T N -0.888 113.668 114.554 0.004 0.000 2.777 402 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 402 T C 1.986 176.686 174.700 0.001 0.000 1.040 402 T CA 0.860 62.963 62.100 0.004 0.000 1.141 402 T CB -0.728 68.148 68.868 0.013 0.000 0.868 402 T HN 0.346 nan 8.240 nan 0.000 0.444 403 A N 2.209 125.030 122.820 0.002 0.000 2.024 403 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 403 A C 2.662 180.243 177.584 -0.005 0.000 1.164 403 A CA 2.074 54.110 52.037 -0.001 0.000 0.643 403 A CB -1.101 17.899 19.000 0.001 0.000 0.806 403 A HN 0.767 nan 8.150 nan 0.000 0.451 404 S N -1.248 114.448 115.700 -0.006 0.000 2.515 404 S HA 0.136 4.606 4.470 -0.000 0.000 0.231 404 S C 1.188 175.783 174.600 -0.008 0.000 0.987 404 S CA 1.171 59.366 58.200 -0.009 0.000 0.936 404 S CB -0.231 62.962 63.200 -0.011 0.000 0.766 404 S HN 0.437 nan 8.310 nan 0.000 0.528 405 L N 0.727 121.948 121.223 -0.004 0.000 3.086 405 L HA 0.261 4.601 4.340 -0.000 0.000 0.274 405 L C 2.000 178.868 176.870 -0.004 0.000 1.184 405 L CA 0.054 54.895 54.840 0.002 0.000 1.002 405 L CB 0.378 42.441 42.059 0.008 0.000 1.383 405 L HN 0.571 nan 8.230 nan 0.000 0.582 406 C N -1.234 118.060 119.300 -0.010 0.000 2.456 406 C HA -0.031 4.428 4.460 -0.000 0.000 0.279 406 C C 1.846 176.824 174.990 -0.019 0.000 1.427 406 C CA 0.539 59.546 59.018 -0.018 0.000 1.778 406 C CB -0.959 26.771 27.740 -0.016 0.000 1.842 406 C HN 0.625 nan 8.230 nan 0.000 0.531 407 D N 0.650 121.042 120.400 -0.013 0.000 2.325 407 D HA -0.017 4.623 4.640 -0.000 0.000 0.225 407 D C 1.565 177.866 176.300 0.002 0.000 1.096 407 D CA -0.145 53.848 54.000 -0.012 0.000 0.844 407 D CB -0.509 40.281 40.800 -0.017 0.000 0.925 407 D HN 0.421 nan 8.370 nan 0.000 0.513 408 L N 1.018 122.248 121.223 0.011 0.000 2.012 408 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 408 L C 2.254 179.139 176.870 0.024 0.000 1.073 408 L CA 1.806 56.673 54.840 0.045 0.000 0.748 408 L CB -0.623 41.459 42.059 0.039 0.000 0.891 408 L HN -0.027 nan 8.230 nan 0.000 0.431 409 K N -1.382 119.008 120.400 -0.016 0.000 2.057 409 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 409 K C 2.365 178.953 176.600 -0.019 0.000 1.049 409 K CA 1.453 57.717 56.287 -0.040 0.000 0.931 409 K CB -0.254 32.215 32.500 -0.050 0.000 0.714 409 K HN 0.445 nan 8.250 nan 0.000 0.440 410 S N 0.523 116.220 115.700 -0.005 0.000 2.368 410 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 410 S C 1.930 176.550 174.600 0.033 0.000 1.030 410 S CA 1.151 59.356 58.200 0.009 0.000 0.999 410 S CB -0.183 63.018 63.200 0.002 0.000 0.844 410 S HN 0.347 nan 8.310 nan 0.000 0.459 411 R N 0.318 120.843 120.500 0.042 0.000 2.083 411 R HA -0.023 4.317 4.340 -0.000 0.000 0.237 411 R C 2.463 178.883 176.300 0.200 0.000 1.137 411 R CA 1.840 57.985 56.100 0.076 0.000 0.951 411 R CB -0.723 29.629 30.300 0.086 0.000 0.851 411 R HN 0.419 nan 8.270 nan 0.000 0.434 412 L N 0.696 121.983 121.223 0.107 0.000 2.042 412 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 412 L C 1.673 178.547 176.870 0.007 0.000 1.076 412 L CA 1.195 55.986 54.840 -0.082 0.000 0.749 412 L CB -0.382 41.510 42.059 -0.279 0.000 0.893 412 L HN 0.163 nan 8.230 nan 0.000 0.432 413 D N -0.904 119.507 120.400 0.020 0.000 2.312 413 D HA -0.100 4.540 4.640 -0.000 0.000 0.211 413 D C 2.284 178.658 176.300 0.124 0.000 0.964 413 D CA 1.281 55.307 54.000 0.043 0.000 0.877 413 D CB 0.033 40.843 40.800 0.016 0.000 0.924 413 D HN 0.346 nan 8.370 nan 0.000 0.515 414 S N -0.191 115.608 115.700 0.165 0.000 2.515 414 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 414 S C 1.077 175.863 174.600 0.309 0.000 0.987 414 S CA -0.184 58.148 58.200 0.220 0.000 0.936 414 S CB 0.124 63.461 63.200 0.227 0.000 0.766 414 S HN 0.081 nan 8.310 nan 0.000 0.528 415 R N 1.139 121.857 120.500 0.363 0.000 2.774 415 R HA 0.341 4.681 4.340 -0.000 0.000 0.269 415 R C -0.377 176.055 176.300 0.220 0.000 1.068 415 R CA 0.235 56.533 56.100 0.329 0.000 1.180 415 R CB 0.126 30.687 30.300 0.435 0.000 1.077 415 R HN 0.130 nan 8.270 nan 0.000 0.513 416 T N 0.574 115.138 114.554 0.016 0.000 2.767 416 T HA 0.282 4.631 4.350 -0.000 0.000 0.284 416 T C 0.215 174.604 174.700 -0.519 0.000 0.973 416 T CA -0.711 61.307 62.100 -0.136 0.000 0.996 416 T CB 1.646 70.438 68.868 -0.128 0.000 0.927 416 T HN 0.688 nan 8.240 nan 0.000 0.456 417 G N 1.900 110.305 108.800 -0.658 0.000 2.406 417 G HA2 0.474 4.434 3.960 -0.000 0.000 0.251 417 G HA3 0.474 4.434 3.960 -0.000 0.000 0.251 417 G C -0.526 174.145 174.900 -0.381 0.000 1.271 417 G CA -0.253 44.284 45.100 -0.938 0.000 0.859 417 G HN 0.640 nan 8.290 nan 0.000 0.540 418 V N 1.971 121.734 119.914 -0.252 0.000 2.555 418 V HA 0.640 4.760 4.120 -0.000 0.000 0.302 418 V C 0.805 176.885 176.094 -0.022 0.000 1.038 418 V CA -0.819 61.463 62.300 -0.030 0.000 0.887 418 V CB 1.521 33.461 31.823 0.195 0.000 0.991 418 V HN 1.123 nan 8.190 nan 0.000 0.434 419 A N 5.999 128.809 122.820 -0.017 0.000 2.483 419 A HA 0.370 4.690 4.320 -0.000 0.000 0.238 419 A C -1.384 176.157 177.584 -0.072 0.000 1.070 419 A CA -0.619 51.400 52.037 -0.030 0.000 0.770 419 A CB -0.182 18.812 19.000 -0.011 0.000 1.008 419 A HN 0.737 nan 8.150 nan 0.000 0.497 420 P HA -0.214 nan 4.420 nan 0.000 0.216 420 P C 0.945 177.916 177.300 -0.548 0.000 1.150 420 P CA 1.712 64.624 63.100 -0.314 0.000 0.843 420 P CB 0.008 31.509 31.700 -0.331 0.000 0.787 421 D N -0.608 119.549 120.400 -0.406 0.000 2.117 421 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 421 D C 1.793 178.003 176.300 -0.150 0.000 0.987 421 D CA 1.222 55.074 54.000 -0.246 0.000 0.829 421 D CB -1.222 39.603 40.800 0.042 0.000 0.961 421 D HN 0.050 nan 8.370 nan 0.000 0.460 422 V N 0.483 120.343 119.914 -0.091 0.000 2.343 422 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 422 V C 2.416 178.453 176.094 -0.094 0.000 1.051 422 V CA 1.645 63.916 62.300 -0.048 0.000 1.036 422 V CB -0.969 30.859 31.823 0.009 0.000 0.654 422 V HN 0.131 nan 8.190 nan 0.000 0.451 423 F N 1.916 121.673 119.950 -0.322 0.000 2.095 423 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 423 F C 2.279 177.820 175.800 -0.432 0.000 1.104 423 F CA 1.630 59.280 58.000 -0.585 0.000 1.232 423 F CB -0.620 37.957 39.000 -0.704 0.000 0.987 423 F HN 0.062 nan 8.300 nan 0.000 0.475 424 A N -0.116 122.392 122.820 -0.520 0.000 1.908 424 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 424 A C 2.088 179.471 177.584 -0.335 0.000 1.181 424 A CA 1.929 53.675 52.037 -0.483 0.000 0.627 424 A CB -0.977 17.872 19.000 -0.251 0.000 0.818 424 A HN 0.511 nan 8.150 nan 0.000 0.445 425 E N 0.611 120.677 120.200 -0.223 0.000 2.106 425 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 425 E C 1.955 178.466 176.600 -0.147 0.000 0.984 425 E CA 1.282 57.602 56.400 -0.133 0.000 0.806 425 E CB -0.408 29.250 29.700 -0.070 0.000 0.750 425 E HN 0.623 nan 8.360 nan 0.000 0.458 426 N N 0.014 118.602 118.700 -0.187 0.000 2.061 426 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 426 N C 1.647 177.044 175.510 -0.188 0.000 1.030 426 N CA 1.928 54.893 53.050 -0.141 0.000 0.856 426 N CB -0.121 38.299 38.487 -0.111 0.000 1.023 426 N HN 0.215 nan 8.380 nan 0.000 0.424 427 M N 1.143 120.519 119.600 -0.374 0.000 2.117 427 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 427 M C 2.251 178.477 176.300 -0.123 0.000 1.065 427 M CA 1.198 56.326 55.300 -0.287 0.000 1.114 427 M CB -1.032 31.286 32.600 -0.471 0.000 1.361 427 M HN 0.233 nan 8.290 nan 0.000 0.408 428 K N 0.734 121.059 120.400 -0.125 0.000 2.026 428 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 428 K C 2.006 178.574 176.600 -0.052 0.000 1.048 428 K CA 1.125 57.377 56.287 -0.058 0.000 0.929 428 K CB -0.091 32.379 32.500 -0.051 0.000 0.713 428 K HN 0.264 nan 8.250 nan 0.000 0.439 429 L N 0.517 121.702 121.223 -0.063 0.000 2.083 429 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 429 L C 2.840 179.671 176.870 -0.065 0.000 1.083 429 L CA 1.142 55.948 54.840 -0.057 0.000 0.752 429 L CB -0.434 41.596 42.059 -0.048 0.000 0.899 429 L HN 0.286 nan 8.230 nan 0.000 0.433 430 R N 0.689 121.155 120.500 -0.057 0.000 2.083 430 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 430 R C 2.091 178.343 176.300 -0.080 0.000 1.137 430 R CA 1.853 57.924 56.100 -0.048 0.000 0.951 430 R CB -0.144 30.144 30.300 -0.020 0.000 0.851 430 R HN 0.376 nan 8.270 nan 0.000 0.434 431 E N 0.164 120.300 120.200 -0.107 0.000 2.086 431 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 431 E C 1.666 178.215 176.600 -0.085 0.000 1.012 431 E CA 1.875 58.181 56.400 -0.155 0.000 0.812 431 E CB -0.108 29.540 29.700 -0.086 0.000 0.743 431 E HN 0.466 nan 8.360 nan 0.000 0.453 432 D N -0.444 119.920 120.400 -0.059 0.000 2.183 432 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 432 D C 1.655 177.915 176.300 -0.067 0.000 0.969 432 D CA 1.027 55.001 54.000 -0.042 0.000 0.842 432 D CB -0.276 40.500 40.800 -0.040 0.000 0.957 432 D HN 0.081 nan 8.370 nan 0.000 0.484 433 T N -0.447 114.037 114.554 -0.117 0.000 3.113 433 T HA -0.070 4.280 4.350 -0.000 0.000 0.256 433 T C 1.475 176.064 174.700 -0.184 0.000 1.131 433 T CA 0.172 62.136 62.100 -0.226 0.000 1.074 433 T CB -0.004 68.672 68.868 -0.321 0.000 0.944 433 T HN 0.233 nan 8.240 nan 0.000 0.516 434 H N 1.648 120.572 119.070 -0.242 0.000 2.352 434 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 434 H C 1.781 176.910 175.328 -0.332 0.000 1.097 434 H CA 1.760 57.610 56.048 -0.330 0.000 1.311 434 H CB -0.002 29.471 29.762 -0.482 0.000 1.377 434 H HN 0.405 nan 8.280 nan 0.000 0.504 435 H N -1.092 117.922 119.070 -0.094 0.000 2.551 435 H HA 0.114 4.670 4.556 -0.000 0.000 0.271 435 H C 0.315 175.621 175.328 -0.037 0.000 0.984 435 H CA -0.228 55.769 56.048 -0.085 0.000 1.164 435 H CB 0.027 29.778 29.762 -0.018 0.000 1.437 435 H HN 0.214 nan 8.280 nan 0.000 0.550 436 L N 2.651 123.877 121.223 0.005 0.000 2.453 436 L HA 0.053 4.392 4.340 -0.000 0.000 0.272 436 L C 0.441 177.368 176.870 0.094 0.000 1.182 436 L CA 0.099 54.929 54.840 -0.017 0.000 0.858 436 L CB 0.519 42.453 42.059 -0.208 0.000 1.120 436 L HN -0.023 nan 8.230 nan 0.000 0.474 437 V N 1.660 121.596 119.914 0.036 0.000 3.166 437 V HA 0.607 4.727 4.120 -0.000 0.000 0.317 437 V C 0.340 176.473 176.094 0.065 0.000 1.136 437 V CA -0.804 61.485 62.300 -0.019 0.000 1.035 437 V CB 1.443 33.057 31.823 -0.349 0.000 1.110 437 V HN 0.862 nan 8.190 nan 0.000 0.450 438 N N 0.623 119.315 118.700 -0.014 0.000 2.727 438 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 438 N C -0.871 174.686 175.510 0.078 0.000 1.040 438 N CA 1.466 54.512 53.050 -0.007 0.000 0.712 438 N CB -1.449 37.033 38.487 -0.009 0.000 0.912 438 N HN 1.309 nan 8.380 nan 0.000 0.545 439 Y N -1.576 118.693 120.300 -0.052 0.000 2.576 439 Y HA 0.827 5.377 4.550 -0.000 0.000 0.346 439 Y C -0.535 175.349 175.900 -0.026 0.000 1.018 439 Y CA -1.442 56.638 58.100 -0.033 0.000 1.050 439 Y CB 1.221 39.665 38.460 -0.027 0.000 1.280 439 Y HN 0.007 nan 8.280 nan 0.000 0.474 440 I N 3.875 124.488 120.570 0.072 0.000 2.418 440 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 440 I C -2.449 173.760 176.117 0.153 0.000 1.008 440 I CA -2.245 59.053 61.300 -0.003 0.000 1.104 440 I CB 1.913 39.920 38.000 0.013 0.000 1.264 440 I HN 0.491 nan 8.210 nan 0.000 0.438 441 P HA 0.071 nan 4.420 nan 0.000 0.267 441 P C -0.278 177.087 177.300 0.109 0.000 1.200 441 P CA -0.038 63.178 63.100 0.193 0.000 0.772 441 P CB 0.567 32.369 31.700 0.171 0.000 0.855 442 Q N 0.504 120.360 119.800 0.092 0.000 2.281 442 Q HA 0.160 4.500 4.340 -0.000 0.000 0.215 442 Q C 1.134 177.150 176.000 0.026 0.000 0.867 442 Q CA -0.206 55.626 55.803 0.049 0.000 0.940 442 Q CB 0.409 29.173 28.738 0.043 0.000 1.111 442 Q HN 0.624 nan 8.270 nan 0.000 0.513 443 G N 0.994 109.815 108.800 0.035 0.000 2.630 443 G HA2 0.037 3.997 3.960 -0.000 0.000 0.236 443 G HA3 0.037 3.997 3.960 -0.000 0.000 0.236 443 G C -0.262 174.614 174.900 -0.040 0.000 1.248 443 G CA -0.290 44.816 45.100 0.010 0.000 0.844 443 G HN 0.110 nan 8.290 nan 0.000 0.588 444 S N -0.009 115.656 115.700 -0.059 0.000 2.549 444 S HA 0.099 4.569 4.470 -0.000 0.000 0.283 444 S C 1.561 176.059 174.600 -0.170 0.000 1.320 444 S CA -0.623 57.517 58.200 -0.099 0.000 1.058 444 S CB 0.240 63.388 63.200 -0.087 0.000 0.882 444 S HN 0.377 nan 8.310 nan 0.000 0.498 445 I N 2.967 123.394 120.570 -0.240 0.000 2.494 445 I HA -0.017 4.153 4.170 -0.000 0.000 0.250 445 I C 1.602 177.573 176.117 -0.245 0.000 1.112 445 I CA 0.464 61.528 61.300 -0.394 0.000 1.438 445 I CB -0.214 37.473 38.000 -0.522 0.000 1.111 445 I HN 0.568 nan 8.210 nan 0.000 0.431 446 D N 0.687 120.990 120.400 -0.163 0.000 2.178 446 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 446 D C 2.283 178.524 176.300 -0.099 0.000 0.980 446 D CA 1.718 55.654 54.000 -0.107 0.000 0.842 446 D CB -0.164 40.590 40.800 -0.078 0.000 0.948 446 D HN 0.330 nan 8.370 nan 0.000 0.472 447 S N -0.203 115.425 115.700 -0.120 0.000 2.522 447 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 447 S C 1.075 175.554 174.600 -0.202 0.000 0.986 447 S CA -0.211 57.904 58.200 -0.141 0.000 0.929 447 S CB -0.388 62.729 63.200 -0.139 0.000 0.769 447 S HN 0.112 nan 8.310 nan 0.000 0.529 448 L N 1.927 123.054 121.223 -0.159 0.000 2.461 448 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 448 L C 0.273 177.098 176.870 -0.074 0.000 1.197 448 L CA -0.797 53.967 54.840 -0.128 0.000 0.836 448 L CB -0.022 42.015 42.059 -0.037 0.000 1.105 448 L HN 0.155 nan 8.230 nan 0.000 0.477 449 F N 0.845 120.843 119.950 0.080 0.000 2.595 449 F HA -0.022 4.505 4.527 -0.000 0.000 0.359 449 F C 1.102 176.923 175.800 0.035 0.000 1.147 449 F CA -0.258 57.782 58.000 0.066 0.000 1.341 449 F CB -0.136 38.929 39.000 0.108 0.000 1.104 449 F HN 0.472 nan 8.300 nan 0.000 0.603 450 E N 1.184 121.526 120.200 0.236 0.000 2.608 450 E HA 0.184 4.534 4.350 -0.000 0.000 0.259 450 E C 1.108 177.747 176.600 0.065 0.000 0.951 450 E CA 0.967 57.427 56.400 0.100 0.000 0.945 450 E CB 0.000 29.740 29.700 0.067 0.000 0.916 450 E HN 0.873 nan 8.360 nan 0.000 0.477 451 G N 3.297 112.093 108.800 -0.007 0.000 2.159 451 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.256 451 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.256 451 G C 0.203 175.040 174.900 -0.106 0.000 0.977 451 G CA 0.333 45.391 45.100 -0.071 0.000 0.652 451 G HN 0.606 nan 8.290 nan 0.000 0.531 452 T N 0.645 115.175 114.554 -0.041 0.000 2.817 452 T HA 0.422 4.772 4.350 -0.000 0.000 0.293 452 T C 0.218 174.908 174.700 -0.017 0.000 0.964 452 T CA -0.110 61.968 62.100 -0.037 0.000 1.085 452 T CB 0.721 69.635 68.868 0.077 0.000 0.921 452 T HN 0.293 nan 8.240 nan 0.000 0.502 453 W N 3.726 124.992 121.300 -0.056 0.000 2.218 453 W HA 0.460 5.120 4.660 -0.000 0.000 0.326 453 W C 0.006 176.578 176.519 0.089 0.000 1.276 453 W CA -0.315 57.002 57.345 -0.046 0.000 1.210 453 W CB 0.366 29.739 29.460 -0.144 0.000 1.143 453 W HN 0.689 nan 8.180 nan 0.000 0.563 454 Y N 0.975 121.475 120.300 0.333 0.000 2.581 454 Y HA 0.651 5.201 4.550 -0.000 0.000 0.345 454 Y C -1.206 174.923 175.900 0.382 0.000 1.036 454 Y CA -2.262 56.006 58.100 0.281 0.000 1.042 454 Y CB 0.313 38.853 38.460 0.134 0.000 1.289 454 Y HN 0.231 nan 8.280 nan 0.000 0.471 455 L N 2.550 124.023 121.223 0.415 0.000 2.418 455 L HA 0.299 4.639 4.340 -0.000 0.000 0.274 455 L C 0.063 176.979 176.870 0.077 0.000 1.135 455 L CA 0.203 55.093 54.840 0.084 0.000 0.870 455 L CB 1.065 43.179 42.059 0.091 0.000 1.154 455 L HN 0.876 nan 8.230 nan 0.000 0.462 456 V N 4.814 124.648 119.914 -0.133 0.000 2.575 456 V HA 0.237 4.357 4.120 -0.000 0.000 0.242 456 V C 0.854 176.880 176.094 -0.113 0.000 1.045 456 V CA 0.829 63.104 62.300 -0.042 0.000 1.065 456 V CB -0.352 31.418 31.823 -0.089 0.000 0.717 456 V HN 0.891 nan 8.190 nan 0.000 0.467 457 R N -1.002 119.351 120.500 -0.246 0.000 2.664 457 R HA 0.470 4.810 4.340 -0.000 0.000 0.260 457 R C -2.392 173.673 176.300 -0.392 0.000 1.062 457 R CA -0.455 55.468 56.100 -0.295 0.000 0.902 457 R CB 2.079 32.264 30.300 -0.192 0.000 1.258 457 R HN -0.066 nan 8.270 nan 0.000 0.465 458 V N 4.011 123.618 119.914 -0.511 0.000 2.357 458 V HA 0.247 4.367 4.120 -0.000 0.000 0.284 458 V C -0.114 175.829 176.094 -0.251 0.000 1.018 458 V CA -0.706 61.360 62.300 -0.389 0.000 0.841 458 V CB 1.194 32.734 31.823 -0.472 0.000 0.991 458 V HN 0.890 nan 8.190 nan 0.000 0.437 459 D N 4.126 124.431 120.400 -0.157 0.000 2.447 459 D HA 0.064 4.704 4.640 -0.000 0.000 0.265 459 D C 1.287 177.529 176.300 -0.098 0.000 1.250 459 D CA -0.381 53.555 54.000 -0.107 0.000 1.046 459 D CB 0.586 41.341 40.800 -0.075 0.000 1.095 459 D HN 0.505 nan 8.370 nan 0.000 0.555 460 E N 0.075 120.234 120.200 -0.068 0.000 2.265 460 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 460 E C 0.488 177.055 176.600 -0.055 0.000 0.996 460 E CA 1.105 57.466 56.400 -0.066 0.000 0.832 460 E CB -0.404 29.276 29.700 -0.034 0.000 0.756 460 E HN 0.559 nan 8.360 nan 0.000 0.491 461 K N -0.037 120.357 120.400 -0.009 0.000 2.570 461 K HA 0.133 4.452 4.320 -0.000 0.000 0.210 461 K C -0.664 176.052 176.600 0.194 0.000 1.048 461 K CA -0.126 56.214 56.287 0.089 0.000 1.167 461 K CB -0.063 32.472 32.500 0.058 0.000 0.892 461 K HN 0.128 nan 8.250 nan 0.000 0.480 462 H N -0.726 118.339 119.070 -0.009 0.000 3.179 462 H HA -0.196 4.360 4.556 -0.000 0.000 0.250 462 H C -0.473 174.838 175.328 -0.029 0.000 1.142 462 H CA 0.791 56.834 56.048 -0.009 0.000 1.165 462 H CB -1.344 28.421 29.762 0.005 0.000 1.253 462 H HN 0.221 nan 8.280 nan 0.000 0.325 463 R N 1.327 121.857 120.500 0.050 0.000 2.390 463 R HA 0.472 4.812 4.340 -0.000 0.000 0.291 463 R C 0.230 176.491 176.300 -0.065 0.000 1.070 463 R CA -0.402 55.702 56.100 0.007 0.000 1.014 463 R CB 1.028 31.326 30.300 -0.004 0.000 1.007 463 R HN 0.185 nan 8.270 nan 0.000 0.466 464 R N 1.158 121.610 120.500 -0.079 0.000 2.532 464 R HA 0.349 4.689 4.340 -0.000 0.000 0.295 464 R C -0.552 175.548 176.300 -0.333 0.000 0.968 464 R CA -0.569 55.387 56.100 -0.240 0.000 0.916 464 R CB 2.096 32.270 30.300 -0.211 0.000 1.124 464 R HN 0.468 nan 8.270 nan 0.000 0.463 465 T N 2.315 116.569 114.554 -0.499 0.000 2.856 465 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 465 T C -1.170 173.144 174.700 -0.644 0.000 1.008 465 T CA -0.496 61.367 62.100 -0.395 0.000 0.997 465 T CB 0.744 69.489 68.868 -0.204 0.000 0.992 465 T HN 0.304 nan 8.240 nan 0.000 0.454 466 Y N 0.516 120.797 120.300 -0.031 0.000 2.536 466 Y HA 0.752 5.302 4.550 -0.000 0.000 0.347 466 Y C 0.190 176.113 175.900 0.038 0.000 1.000 466 Y CA -1.034 57.063 58.100 -0.006 0.000 1.051 466 Y CB 1.940 40.428 38.460 0.047 0.000 1.259 466 Y HN 0.833 nan 8.280 nan 0.000 0.468 467 A N 1.799 124.565 122.820 -0.090 0.000 2.566 467 A HA 0.820 5.140 4.320 -0.000 0.000 0.292 467 A C -1.503 175.600 177.584 -0.802 0.000 1.112 467 A CA -1.039 50.780 52.037 -0.364 0.000 0.707 467 A CB 1.971 20.703 19.000 -0.447 0.000 1.302 467 A HN 0.753 nan 8.150 nan 0.000 0.409 468 R N 1.103 121.039 120.500 -0.940 0.000 2.338 468 R HA 0.340 4.680 4.340 -0.000 0.000 0.317 468 R C -0.337 175.785 176.300 -0.298 0.000 0.968 468 R CA -0.722 54.764 56.100 -1.023 0.000 0.849 468 R CB 0.905 30.277 30.300 -1.546 0.000 1.128 468 R HN 0.754 nan 8.270 nan 0.000 0.448 469 R N 6.288 126.785 120.500 -0.004 0.000 2.370 469 R HA 0.172 4.512 4.340 -0.000 0.000 0.309 469 R C -2.186 174.081 176.300 -0.054 0.000 1.059 469 R CA -1.243 54.902 56.100 0.075 0.000 0.981 469 R CB 0.768 31.112 30.300 0.074 0.000 0.972 469 R HN 0.506 nan 8.270 nan 0.000 0.437 470 P HA 0.000 nan 4.420 nan 0.000 0.216 470 P CA 0.000 63.064 63.100 -0.059 0.000 0.800 470 P CB 0.000 31.675 31.700 -0.042 0.000 0.726