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 1yvp_1_B DATA FIRST_RESID 4 DATA SEQUENCE TMDQTQPLNE KQVPNSEGCY VWQVSDMNRL RRFLCFGSEG GTYYIEEKKL DATA SEQUENCE GQENAEALLR LIEDGKGCEV VQEIKTFSQE GRAAKQEPTL FALAVCSQCS DATA SEQUENCE DIKTKQAAFR AVPEVCRIPT HLFTFIQFKK DLKEGMKCGM WGRALRKAVS DATA SEQUENCE DWYNTKDALN LAMAVTKYKQ RNGWSHKDLL RLSHIKPANE GLTMVAKYVS DATA SEQUENCE KGWKEVQEAY KEKELSPETE KVLKYLEATE RVKRTKDELE IIHLIDEYRL DATA SEQUENCE VREHLLTIHL KSKEIWKSLL QDMPLTALLR NLGKMTADSV LAPASSEVSS DATA SEQUENCE VCERLTNEKL LKKARIHPFH ILVALETYKK GHGNXXKLRW IPDTSIVEAL DATA SEQUENCE DNAFYKSFKL VEPTGKRFLL AIDVSASMNQ RVLGSILNAS VVAAAMCMLV DATA SEQUENCE ARTEKDSHMV AFSDEMLPCP ITVNMLLHEV VEKMSDITMG STDCALPMLW DATA SEQUENCE AQKTNTAADI FIVFTDCETN VEDVHPATAL KQYREKMGIP AKLIVCAMTS DATA SEQUENCE NGFSIADPDD RGMLDICGFD SGALDVIRNF TLDL 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.708 174.700 0.013 0.000 1.109 4 T CA 0.000 62.105 62.100 0.008 0.000 1.349 4 T CB 0.000 68.870 68.868 0.003 0.000 0.612 5 M N 3.468 123.083 119.600 0.024 0.000 2.146 5 M HA 0.605 5.084 4.480 -0.001 0.000 0.357 5 M C -0.494 175.856 176.300 0.083 0.000 1.261 5 M CA 0.100 55.428 55.300 0.047 0.000 1.106 5 M CB 0.366 32.991 32.600 0.043 0.000 1.612 5 M HN 0.386 nan 8.290 nan 0.000 0.470 6 D N 1.742 122.190 120.400 0.080 0.000 2.636 6 D HA 0.260 4.899 4.640 -0.001 0.000 0.275 6 D C -0.155 176.066 176.300 -0.132 0.000 1.130 6 D CA -0.576 53.425 54.000 0.002 0.000 1.031 6 D CB 0.564 41.346 40.800 -0.029 0.000 1.451 6 D HN 0.668 nan 8.370 nan 0.000 0.505 7 Q N -0.886 118.667 119.800 -0.411 0.000 2.443 7 Q HA -0.094 4.246 4.340 -0.001 0.000 0.213 7 Q C 1.323 177.236 176.000 -0.145 0.000 0.982 7 Q CA 1.745 57.192 55.803 -0.593 0.000 0.894 7 Q CB -0.438 28.046 28.738 -0.423 0.000 0.947 7 Q HN 0.736 nan 8.270 nan 0.000 0.480 8 T N -3.071 111.466 114.554 -0.028 0.000 3.113 8 T HA 0.023 4.373 4.350 -0.001 0.000 0.256 8 T C 0.433 175.266 174.700 0.222 0.000 1.131 8 T CA 0.059 62.206 62.100 0.079 0.000 1.074 8 T CB 0.212 69.097 68.868 0.028 0.000 0.944 8 T HN 0.123 nan 8.240 nan 0.000 0.516 9 Q N 2.064 121.962 119.800 0.163 0.000 2.365 9 Q HA 0.439 4.779 4.340 -0.001 0.000 0.269 9 Q C -2.955 172.903 176.000 -0.237 0.000 1.061 9 Q CA -3.007 52.766 55.803 -0.050 0.000 0.816 9 Q CB 2.351 31.065 28.738 -0.039 0.000 1.325 9 Q HN 0.126 nan 8.270 nan 0.000 0.446 10 P HA -0.070 nan 4.420 nan 0.000 0.267 10 P C 0.032 177.063 177.300 -0.448 0.000 1.205 10 P CA -0.069 62.526 63.100 -0.841 0.000 0.765 10 P CB 0.934 32.054 31.700 -0.967 0.000 0.828 11 L N 3.243 124.152 121.223 -0.524 0.000 2.217 11 L HA -0.035 4.305 4.340 -0.001 0.000 0.211 11 L C 0.838 177.552 176.870 -0.260 0.000 1.107 11 L CA 1.909 56.441 54.840 -0.513 0.000 0.783 11 L CB -0.852 40.751 42.059 -0.759 0.000 0.919 11 L HN 0.659 nan 8.230 nan 0.000 0.442 12 N N -3.808 114.751 118.700 -0.235 0.000 3.373 12 N HA 0.012 4.752 4.740 -0.001 0.000 0.275 12 N C 0.188 175.643 175.510 -0.091 0.000 1.489 12 N CA -0.055 52.933 53.050 -0.103 0.000 0.872 12 N CB -0.024 38.475 38.487 0.020 0.000 1.555 12 N HN -0.004 nan 8.380 nan 0.000 0.500 13 E N -0.326 119.858 120.200 -0.027 0.000 2.267 13 E HA -0.127 4.222 4.350 -0.001 0.000 0.197 13 E C 0.699 177.321 176.600 0.036 0.000 0.998 13 E CA 1.103 57.498 56.400 -0.007 0.000 0.830 13 E CB -0.171 29.536 29.700 0.011 0.000 0.751 13 E HN 0.564 nan 8.360 nan 0.000 0.491 14 K N 0.496 120.952 120.400 0.094 0.000 2.365 14 K HA 0.038 4.358 4.320 -0.001 0.000 0.197 14 K C 0.695 177.369 176.600 0.124 0.000 1.042 14 K CA 0.233 56.628 56.287 0.180 0.000 0.987 14 K CB 0.158 32.873 32.500 0.359 0.000 0.779 14 K HN 0.225 nan 8.250 nan 0.000 0.484 15 Q N 1.143 120.894 119.800 -0.082 0.000 2.354 15 Q HA 0.225 4.564 4.340 -0.001 0.000 0.244 15 Q C -0.178 175.869 176.000 0.078 0.000 0.969 15 Q CA -0.262 55.424 55.803 -0.195 0.000 0.885 15 Q CB 1.565 30.055 28.738 -0.413 0.000 1.241 15 Q HN -0.011 nan 8.270 nan 0.000 0.461 16 V N -1.912 118.066 119.914 0.107 0.000 3.102 16 V HA 0.699 4.818 4.120 -0.001 0.000 0.312 16 V C -2.744 173.232 176.094 -0.197 0.000 1.135 16 V CA -2.697 59.664 62.300 0.101 0.000 1.022 16 V CB 1.989 33.879 31.823 0.111 0.000 1.056 16 V HN 0.655 nan 8.190 nan 0.000 0.436 17 P HA 0.297 nan 4.420 nan 0.000 0.284 17 P C -0.619 176.295 177.300 -0.643 0.000 1.253 17 P CA -0.224 62.415 63.100 -0.768 0.000 0.800 17 P CB 0.926 32.227 31.700 -0.665 0.000 0.961 18 N N 0.542 118.723 118.700 -0.864 0.000 2.531 18 N HA 0.108 4.848 4.740 -0.001 0.000 0.301 18 N C 0.920 175.998 175.510 -0.720 0.000 1.310 18 N CA -0.691 51.553 53.050 -1.344 0.000 0.949 18 N CB -0.121 37.542 38.487 -1.372 0.000 1.111 18 N HN 0.138 nan 8.380 nan 0.000 0.565 19 S N -0.404 114.916 115.700 -0.633 0.000 2.440 19 S HA -0.097 4.373 4.470 -0.001 0.000 0.238 19 S C 0.889 175.234 174.600 -0.424 0.000 1.010 19 S CA 1.025 58.951 58.200 -0.457 0.000 0.972 19 S CB -0.314 62.451 63.200 -0.726 0.000 0.774 19 S HN 0.509 nan 8.310 nan 0.000 0.501 20 E N -0.508 119.419 120.200 -0.455 0.000 2.501 20 E HA 0.266 4.615 4.350 -0.001 0.000 0.201 20 E C 1.147 177.607 176.600 -0.233 0.000 1.016 20 E CA 0.332 56.578 56.400 -0.256 0.000 0.920 20 E CB 0.660 30.251 29.700 -0.183 0.000 1.023 20 E HN 0.505 nan 8.360 nan 0.000 0.474 21 G N 1.167 109.773 108.800 -0.324 0.000 2.175 21 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.244 21 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.244 21 G C 0.473 175.099 174.900 -0.456 0.000 0.982 21 G CA 0.038 44.934 45.100 -0.341 0.000 0.641 21 G HN 0.330 nan 8.290 nan 0.000 0.527 22 C N 0.452 119.501 119.300 -0.420 0.000 2.443 22 C HA 0.667 5.126 4.460 -0.001 0.000 0.369 22 C C 0.577 175.254 174.990 -0.522 0.000 1.241 22 C CA -0.784 58.016 59.018 -0.363 0.000 2.413 22 C CB -0.052 27.547 27.740 -0.235 0.000 2.451 22 C HN 0.327 nan 8.230 nan 0.000 0.595 23 Y N 1.295 121.487 120.300 -0.179 0.000 2.316 23 Y HA 0.516 5.066 4.550 -0.001 0.000 0.331 23 Y C 0.720 176.508 175.900 -0.185 0.000 1.083 23 Y CA 0.048 58.049 58.100 -0.165 0.000 1.206 23 Y CB 0.576 38.983 38.460 -0.090 0.000 1.195 23 Y HN 0.566 nan 8.280 nan 0.000 0.497 24 V N -1.260 118.562 119.914 -0.153 0.000 3.076 24 V HA 0.558 4.677 4.120 -0.001 0.000 0.311 24 V C -1.197 174.784 176.094 -0.189 0.000 1.346 24 V CA -1.546 60.661 62.300 -0.155 0.000 1.056 24 V CB 1.995 33.797 31.823 -0.035 0.000 1.093 24 V HN 0.701 nan 8.190 nan 0.000 0.468 25 W N 0.227 121.608 121.300 0.135 0.000 2.497 25 W HA 0.597 5.257 4.660 -0.001 0.000 0.359 25 W C -0.059 176.562 176.519 0.169 0.000 1.131 25 W CA -0.190 57.232 57.345 0.128 0.000 1.280 25 W CB 1.815 31.326 29.460 0.086 0.000 1.319 25 W HN 0.819 nan 8.180 nan 0.000 0.626 26 Q N 1.496 121.521 119.800 0.376 0.000 2.279 26 Q HA 0.288 4.627 4.340 -0.001 0.000 0.256 26 Q C -0.403 175.711 176.000 0.190 0.000 0.937 26 Q CA -0.271 55.682 55.803 0.249 0.000 0.933 26 Q CB 1.720 30.558 28.738 0.167 0.000 1.189 26 Q HN 0.355 nan 8.270 nan 0.000 0.417 27 V N 4.286 124.278 119.914 0.130 0.000 2.872 27 V HA 0.050 4.170 4.120 -0.001 0.000 0.307 27 V C -0.037 176.085 176.094 0.046 0.000 1.072 27 V CA 0.566 62.916 62.300 0.083 0.000 1.148 27 V CB 1.111 32.966 31.823 0.054 0.000 0.954 27 V HN 1.054 nan 8.190 nan 0.000 0.490 28 S N 3.967 119.685 115.700 0.031 0.000 2.568 28 S HA 0.049 4.519 4.470 -0.001 0.000 0.282 28 S C 0.759 175.361 174.600 0.003 0.000 1.338 28 S CA 0.092 58.301 58.200 0.015 0.000 1.045 28 S CB 0.731 63.934 63.200 0.005 0.000 0.873 28 S HN 0.814 nan 8.310 nan 0.000 0.516 29 D N 1.212 121.609 120.400 -0.006 0.000 2.178 29 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 29 D C 1.770 178.056 176.300 -0.023 0.000 0.980 29 D CA 1.228 55.215 54.000 -0.022 0.000 0.842 29 D CB -0.163 40.620 40.800 -0.027 0.000 0.948 29 D HN 0.464 nan 8.370 nan 0.000 0.472 30 M N 0.370 119.961 119.600 -0.015 0.000 2.200 30 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 30 M C 1.570 177.864 176.300 -0.010 0.000 1.066 30 M CA 0.805 56.095 55.300 -0.016 0.000 1.127 30 M CB -0.673 31.924 32.600 -0.006 0.000 1.379 30 M HN -0.017 nan 8.290 nan 0.000 0.420 31 N N -0.071 118.631 118.700 0.004 0.000 2.270 31 N HA -0.107 4.632 4.740 -0.001 0.000 0.181 31 N C 1.764 177.291 175.510 0.027 0.000 1.016 31 N CA 0.822 53.885 53.050 0.021 0.000 0.870 31 N CB -0.257 38.245 38.487 0.024 0.000 0.979 31 N HN 0.380 nan 8.380 nan 0.000 0.431 32 R N 0.563 121.071 120.500 0.013 0.000 2.090 32 R HA -0.033 4.306 4.340 -0.001 0.000 0.228 32 R C 2.077 178.400 176.300 0.038 0.000 1.110 32 R CA 0.570 56.682 56.100 0.020 0.000 0.973 32 R CB -0.247 30.040 30.300 -0.022 0.000 0.869 32 R HN 0.080 nan 8.270 nan 0.000 0.440 33 L N 1.364 122.586 121.223 -0.002 0.000 2.042 33 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 33 L C 1.999 178.850 176.870 -0.032 0.000 1.076 33 L CA 1.800 56.640 54.840 -0.000 0.000 0.749 33 L CB -0.344 41.683 42.059 -0.053 0.000 0.893 33 L HN 0.097 nan 8.230 nan 0.000 0.432 34 R N -0.764 119.681 120.500 -0.091 0.000 2.092 34 R HA -0.096 4.244 4.340 -0.001 0.000 0.231 34 R C 2.358 178.644 176.300 -0.023 0.000 1.119 34 R CA 1.505 57.492 56.100 -0.188 0.000 0.970 34 R CB -0.361 29.910 30.300 -0.047 0.000 0.864 34 R HN 0.423 nan 8.270 nan 0.000 0.440 35 R N -0.200 120.364 120.500 0.106 0.000 2.081 35 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 35 R C 2.108 178.560 176.300 0.252 0.000 1.131 35 R CA 1.499 57.748 56.100 0.248 0.000 0.960 35 R CB -0.359 30.082 30.300 0.234 0.000 0.856 35 R HN 0.208 nan 8.270 nan 0.000 0.436 36 F N 1.343 121.307 119.950 0.023 0.000 2.186 36 F HA -0.114 4.412 4.527 -0.001 0.000 0.299 36 F C 1.856 177.625 175.800 -0.052 0.000 1.090 36 F CA 1.169 59.165 58.000 -0.006 0.000 1.307 36 F CB 0.040 39.016 39.000 -0.039 0.000 1.019 36 F HN -0.095 nan 8.300 nan 0.000 0.489 37 L N -0.768 120.363 121.223 -0.153 0.000 2.056 37 L HA -0.269 4.070 4.340 -0.001 0.000 0.207 37 L C 2.501 179.213 176.870 -0.263 0.000 1.078 37 L CA 1.202 55.868 54.840 -0.290 0.000 0.749 37 L CB -0.972 40.838 42.059 -0.416 0.000 0.901 37 L HN 0.292 nan 8.230 nan 0.000 0.433 38 C N -1.169 118.004 119.300 -0.210 0.000 2.475 38 C HA -0.046 4.413 4.460 -0.001 0.000 0.279 38 C C 2.354 176.982 174.990 -0.603 0.000 1.322 38 C CA 0.343 59.147 59.018 -0.357 0.000 1.734 38 C CB -0.710 26.801 27.740 -0.382 0.000 2.005 38 C HN 0.433 nan 8.230 nan 0.000 0.495 39 F N 0.269 120.131 119.950 -0.147 0.000 2.717 39 F HA 0.375 4.902 4.527 -0.001 0.000 0.297 39 F C 1.749 177.410 175.800 -0.231 0.000 1.113 39 F CA 0.776 58.673 58.000 -0.173 0.000 1.319 39 F CB -0.516 38.442 39.000 -0.070 0.000 1.097 39 F HN 0.363 nan 8.300 nan 0.000 0.595 40 G N 1.070 109.729 108.800 -0.235 0.000 2.697 40 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.240 40 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.240 40 G C 0.679 175.535 174.900 -0.074 0.000 1.346 40 G CA 0.163 44.999 45.100 -0.440 0.000 0.887 40 G HN 0.538 nan 8.290 nan 0.000 0.569 41 S N -1.252 114.450 115.700 0.003 0.000 2.687 41 S HA 0.365 4.834 4.470 -0.001 0.000 0.247 41 S C 0.538 175.158 174.600 0.034 0.000 1.050 41 S CA 1.068 59.326 58.200 0.097 0.000 1.063 41 S CB 0.502 63.808 63.200 0.176 0.000 1.039 41 S HN 1.012 nan 8.310 nan 0.000 0.580 42 E N 1.393 121.595 120.200 0.005 0.000 2.452 42 E HA 0.336 4.685 4.350 -0.001 0.000 0.261 42 E C 1.287 177.900 176.600 0.021 0.000 0.987 42 E CA 1.124 57.530 56.400 0.011 0.000 0.926 42 E CB -0.132 29.574 29.700 0.010 0.000 0.934 42 E HN 0.542 nan 8.360 nan 0.000 0.452 43 G N 2.741 111.554 108.800 0.022 0.000 2.253 43 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.251 43 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.251 43 G C 0.831 175.743 174.900 0.021 0.000 0.998 43 G CA 0.323 45.438 45.100 0.024 0.000 0.621 43 G HN 1.567 nan 8.290 nan 0.000 0.524 44 G N -1.420 107.394 108.800 0.023 0.000 2.552 44 G HA2 0.157 4.116 3.960 -0.001 0.000 0.265 44 G HA3 0.157 4.116 3.960 -0.001 0.000 0.265 44 G C 0.120 175.041 174.900 0.036 0.000 1.234 44 G CA 0.959 46.075 45.100 0.026 0.000 0.944 44 G HN 1.686 nan 8.290 nan 0.000 0.568 45 T N -1.850 112.734 114.554 0.050 0.000 2.838 45 T HA 0.500 4.850 4.350 -0.001 0.000 0.292 45 T C 0.692 175.443 174.700 0.086 0.000 1.113 45 T CA 0.593 62.744 62.100 0.085 0.000 1.008 45 T CB 1.705 70.651 68.868 0.131 0.000 1.259 45 T HN 0.818 nan 8.240 nan 0.000 0.520 46 Y N 0.513 120.783 120.300 -0.050 0.000 2.207 46 Y HA -0.164 4.386 4.550 -0.001 0.000 0.287 46 Y C 1.311 177.051 175.900 -0.267 0.000 1.156 46 Y CA 1.862 59.834 58.100 -0.213 0.000 1.182 46 Y CB -0.133 38.096 38.460 -0.385 0.000 0.979 46 Y HN 0.734 nan 8.280 nan 0.000 0.521 47 Y N -1.179 119.170 120.300 0.082 0.000 2.524 47 Y HA 0.286 4.836 4.550 -0.001 0.000 0.270 47 Y C 0.284 176.184 175.900 0.001 0.000 1.094 47 Y CA -0.255 57.852 58.100 0.011 0.000 1.276 47 Y CB 0.503 39.029 38.460 0.110 0.000 1.130 47 Y HN -0.216 nan 8.280 nan 0.000 0.536 48 I N 1.434 122.112 120.570 0.180 0.000 2.354 48 I HA 0.190 4.360 4.170 -0.001 0.000 0.292 48 I C -0.082 176.060 176.117 0.043 0.000 0.989 48 I CA -1.111 60.249 61.300 0.100 0.000 1.188 48 I CB 1.419 39.477 38.000 0.097 0.000 1.342 48 I HN 0.004 nan 8.210 nan 0.000 0.457 49 E N 5.423 125.635 120.200 0.021 0.000 2.415 49 E HA -0.082 4.268 4.350 -0.001 0.000 0.262 49 E C 1.038 177.641 176.600 0.005 0.000 1.038 49 E CA 0.174 56.576 56.400 0.003 0.000 0.921 49 E CB 0.800 30.499 29.700 -0.002 0.000 0.950 49 E HN 0.626 nan 8.360 nan 0.000 0.438 50 E N 3.308 123.510 120.200 0.002 0.000 2.065 50 E HA -0.359 3.990 4.350 -0.001 0.000 0.201 50 E C 1.590 178.185 176.600 -0.008 0.000 1.016 50 E CA 1.894 58.295 56.400 0.002 0.000 0.818 50 E CB -0.037 29.665 29.700 0.004 0.000 0.749 50 E HN 0.630 nan 8.360 nan 0.000 0.453 51 K N 0.783 121.177 120.400 -0.010 0.000 2.001 51 K HA -0.269 4.050 4.320 -0.001 0.000 0.214 51 K C 2.337 178.921 176.600 -0.026 0.000 1.050 51 K CA 1.984 58.260 56.287 -0.018 0.000 0.934 51 K CB -0.217 32.277 32.500 -0.010 0.000 0.718 51 K HN 0.003 nan 8.250 nan 0.000 0.443 52 K N 0.841 121.231 120.400 -0.017 0.000 2.032 52 K HA -0.140 4.180 4.320 -0.001 0.000 0.209 52 K C 2.306 178.887 176.600 -0.032 0.000 1.048 52 K CA 1.268 57.543 56.287 -0.020 0.000 0.927 52 K CB -0.184 32.313 32.500 -0.006 0.000 0.712 52 K HN 0.209 nan 8.250 nan 0.000 0.441 53 L N 0.347 121.558 121.223 -0.021 0.000 2.043 53 L HA -0.176 4.164 4.340 -0.001 0.000 0.212 53 L C 2.333 179.173 176.870 -0.050 0.000 1.075 53 L CA 1.914 56.741 54.840 -0.022 0.000 0.752 53 L CB -0.818 41.248 42.059 0.011 0.000 0.891 53 L HN 0.513 nan 8.230 nan 0.000 0.432 54 G N -1.183 107.580 108.800 -0.061 0.000 2.402 54 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 54 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 54 G C 1.364 176.161 174.900 -0.172 0.000 1.162 54 G CA 0.439 45.459 45.100 -0.133 0.000 0.777 54 G HN 0.461 nan 8.290 nan 0.000 0.539 55 Q N 0.178 119.914 119.800 -0.106 0.000 2.061 55 Q HA -0.106 4.234 4.340 -0.001 0.000 0.204 55 Q C 2.421 178.359 176.000 -0.102 0.000 0.984 55 Q CA 1.438 57.191 55.803 -0.083 0.000 0.846 55 Q CB -0.210 28.497 28.738 -0.050 0.000 0.902 55 Q HN 0.570 nan 8.270 nan 0.000 0.421 56 E N 0.867 121.004 120.200 -0.106 0.000 2.058 56 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 56 E C 1.738 178.237 176.600 -0.167 0.000 0.997 56 E CA 1.444 57.773 56.400 -0.119 0.000 0.801 56 E CB -0.089 29.541 29.700 -0.117 0.000 0.746 56 E HN 0.371 nan 8.360 nan 0.000 0.450 57 N N 0.235 118.791 118.700 -0.241 0.000 2.188 57 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 57 N C 1.686 176.966 175.510 -0.383 0.000 1.018 57 N CA 1.065 53.879 53.050 -0.393 0.000 0.858 57 N CB -0.086 37.949 38.487 -0.754 0.000 0.989 57 N HN 0.120 nan 8.380 nan 0.000 0.426 58 A N 1.241 123.890 122.820 -0.286 0.000 1.908 58 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 58 A C 1.978 179.497 177.584 -0.108 0.000 1.181 58 A CA 1.488 53.457 52.037 -0.112 0.000 0.627 58 A CB -0.494 18.514 19.000 0.013 0.000 0.818 58 A HN 0.299 nan 8.150 nan 0.000 0.445 59 E N -0.392 119.745 120.200 -0.104 0.000 2.072 59 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 59 E C 2.285 178.833 176.600 -0.087 0.000 0.985 59 E CA 0.879 57.230 56.400 -0.081 0.000 0.801 59 E CB -0.278 29.382 29.700 -0.067 0.000 0.750 59 E HN 0.623 nan 8.360 nan 0.000 0.452 60 A N 1.231 123.985 122.820 -0.109 0.000 1.972 60 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 60 A C 2.133 179.659 177.584 -0.097 0.000 1.169 60 A CA 0.819 52.798 52.037 -0.096 0.000 0.635 60 A CB -0.509 18.426 19.000 -0.109 0.000 0.810 60 A HN 0.229 nan 8.150 nan 0.000 0.446 61 L N -0.611 120.537 121.223 -0.125 0.000 2.027 61 L HA -0.125 4.215 4.340 -0.001 0.000 0.206 61 L C 2.450 179.261 176.870 -0.098 0.000 1.074 61 L CA 1.272 56.040 54.840 -0.120 0.000 0.745 61 L CB -0.250 41.717 42.059 -0.153 0.000 0.898 61 L HN 0.411 nan 8.230 nan 0.000 0.433 62 L N -0.749 120.418 121.223 -0.093 0.000 2.131 62 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 62 L C 2.786 179.621 176.870 -0.058 0.000 1.092 62 L CA 1.093 55.887 54.840 -0.076 0.000 0.759 62 L CB -0.503 41.516 42.059 -0.067 0.000 0.903 62 L HN 0.253 nan 8.230 nan 0.000 0.435 63 R N -0.071 120.396 120.500 -0.054 0.000 2.075 63 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 63 R C 2.303 178.581 176.300 -0.037 0.000 1.126 63 R CA 1.116 57.192 56.100 -0.040 0.000 0.963 63 R CB -0.390 29.889 30.300 -0.035 0.000 0.858 63 R HN 0.322 nan 8.270 nan 0.000 0.435 64 L N 0.429 121.626 121.223 -0.045 0.000 2.046 64 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 64 L C 2.357 179.205 176.870 -0.038 0.000 1.077 64 L CA 1.314 56.130 54.840 -0.039 0.000 0.747 64 L CB -0.316 41.715 42.059 -0.046 0.000 0.896 64 L HN 0.176 nan 8.230 nan 0.000 0.432 65 I N -0.585 119.956 120.570 -0.047 0.000 2.286 65 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 65 I C 2.642 178.739 176.117 -0.034 0.000 1.104 65 I CA 1.216 62.489 61.300 -0.045 0.000 1.397 65 I CB -0.318 37.647 38.000 -0.059 0.000 1.072 65 I HN 0.342 nan 8.210 nan 0.000 0.417 66 E N 1.074 121.254 120.200 -0.033 0.000 2.160 66 E HA -0.265 4.085 4.350 -0.001 0.000 0.195 66 E C 0.699 177.288 176.600 -0.018 0.000 0.991 66 E CA 1.432 57.817 56.400 -0.025 0.000 0.810 66 E CB 0.040 29.726 29.700 -0.025 0.000 0.742 66 E HN 0.428 nan 8.360 nan 0.000 0.466 67 D N -0.714 119.674 120.400 -0.019 0.000 2.336 67 D HA 0.118 4.758 4.640 -0.001 0.000 0.228 67 D C 0.772 177.065 176.300 -0.012 0.000 1.120 67 D CA 0.784 54.776 54.000 -0.013 0.000 0.839 67 D CB 0.389 41.182 40.800 -0.012 0.000 0.932 67 D HN 0.368 nan 8.370 nan 0.000 0.509 68 G N 1.410 110.202 108.800 -0.014 0.000 2.160 68 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.251 68 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.251 68 G C 0.831 175.725 174.900 -0.012 0.000 1.008 68 G CA 0.143 45.236 45.100 -0.011 0.000 0.724 68 G HN 0.396 nan 8.290 nan 0.000 0.514 69 K N -0.174 120.216 120.400 -0.016 0.000 2.455 69 K HA 0.331 4.650 4.320 -0.001 0.000 0.206 69 K C 2.334 178.920 176.600 -0.023 0.000 1.027 69 K CA 0.238 56.516 56.287 -0.016 0.000 1.113 69 K CB 0.476 32.967 32.500 -0.016 0.000 0.850 69 K HN 0.265 nan 8.250 nan 0.000 0.503 70 G N 0.960 109.744 108.800 -0.027 0.000 2.469 70 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.219 70 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.219 70 G C 1.445 176.326 174.900 -0.032 0.000 1.150 70 G CA 0.893 45.972 45.100 -0.036 0.000 0.763 70 G HN 0.354 nan 8.290 nan 0.000 0.561 71 C N 0.025 119.313 119.300 -0.021 0.000 2.435 71 C HA 0.070 4.529 4.460 -0.001 0.000 0.279 71 C C 2.662 177.645 174.990 -0.011 0.000 1.321 71 C CA 0.979 59.988 59.018 -0.015 0.000 1.752 71 C CB -0.622 27.114 27.740 -0.006 0.000 1.959 71 C HN 0.727 nan 8.230 nan 0.000 0.500 72 E N 0.756 120.951 120.200 -0.010 0.000 2.106 72 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 72 E C 2.000 178.596 176.600 -0.008 0.000 0.984 72 E CA 1.167 57.565 56.400 -0.003 0.000 0.806 72 E CB 0.058 29.757 29.700 -0.001 0.000 0.750 72 E HN 0.402 nan 8.360 nan 0.000 0.458 73 V N 0.488 120.388 119.914 -0.022 0.000 2.295 73 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 73 V C 2.414 178.488 176.094 -0.033 0.000 1.049 73 V CA 1.500 63.780 62.300 -0.034 0.000 1.024 73 V CB -0.269 31.525 31.823 -0.049 0.000 0.648 73 V HN 0.229 nan 8.190 nan 0.000 0.447 74 V N -0.215 119.678 119.914 -0.036 0.000 2.287 74 V HA -0.321 3.798 4.120 -0.001 0.000 0.248 74 V C 2.492 178.576 176.094 -0.016 0.000 1.053 74 V CA 2.335 64.613 62.300 -0.038 0.000 1.027 74 V CB -0.722 31.075 31.823 -0.045 0.000 0.646 74 V HN 0.575 nan 8.190 nan 0.000 0.447 75 Q N 0.222 120.021 119.800 -0.003 0.000 2.170 75 Q HA -0.221 4.118 4.340 -0.001 0.000 0.203 75 Q C 1.997 178.023 176.000 0.043 0.000 0.976 75 Q CA 1.978 57.790 55.803 0.016 0.000 0.858 75 Q CB -0.310 28.438 28.738 0.018 0.000 0.907 75 Q HN 0.654 nan 8.270 nan 0.000 0.433 76 E N -0.083 120.141 120.200 0.040 0.000 2.047 76 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 76 E C 1.781 178.445 176.600 0.106 0.000 0.987 76 E CA 1.412 57.861 56.400 0.081 0.000 0.799 76 E CB -0.337 29.369 29.700 0.011 0.000 0.752 76 E HN 0.523 nan 8.360 nan 0.000 0.449 77 I N 0.592 121.174 120.570 0.019 0.000 2.208 77 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 77 I C 2.563 178.717 176.117 0.063 0.000 1.097 77 I CA 1.393 62.701 61.300 0.013 0.000 1.363 77 I CB -0.342 37.643 38.000 -0.026 0.000 1.051 77 I HN 0.125 nan 8.210 nan 0.000 0.413 78 K N 0.630 121.053 120.400 0.038 0.000 2.097 78 K HA -0.171 4.148 4.320 -0.001 0.000 0.206 78 K C 2.055 178.689 176.600 0.057 0.000 1.049 78 K CA 1.891 58.194 56.287 0.026 0.000 0.933 78 K CB -0.047 32.457 32.500 0.007 0.000 0.717 78 K HN 0.238 nan 8.250 nan 0.000 0.442 79 T N 0.584 115.197 114.554 0.099 0.000 2.737 79 T HA -0.095 4.255 4.350 -0.001 0.000 0.265 79 T C 1.494 176.249 174.700 0.092 0.000 1.038 79 T CA 1.343 63.497 62.100 0.089 0.000 1.144 79 T CB -0.344 68.590 68.868 0.111 0.000 0.866 79 T HN 0.131 nan 8.240 nan 0.000 0.434 80 F N 1.387 121.327 119.950 -0.018 0.000 2.126 80 F HA -0.111 4.416 4.527 -0.001 0.000 0.299 80 F C 2.916 178.699 175.800 -0.030 0.000 1.096 80 F CA 1.128 59.116 58.000 -0.020 0.000 1.255 80 F CB -0.772 38.214 39.000 -0.024 0.000 0.997 80 F HN 0.108 nan 8.300 nan 0.000 0.479 81 S N -0.501 115.282 115.700 0.139 0.000 2.338 81 S HA -0.219 4.251 4.470 -0.001 0.000 0.218 81 S C 2.041 176.649 174.600 0.012 0.000 1.032 81 S CA 1.475 59.699 58.200 0.039 0.000 0.999 81 S CB -0.328 62.867 63.200 -0.008 0.000 0.905 81 S HN 0.453 nan 8.310 nan 0.000 0.439 82 Q N 0.144 119.949 119.800 0.008 0.000 2.135 82 Q HA -0.117 4.222 4.340 -0.001 0.000 0.204 82 Q C 1.649 177.641 176.000 -0.014 0.000 0.981 82 Q CA 1.505 57.306 55.803 -0.003 0.000 0.856 82 Q CB -0.174 28.561 28.738 -0.005 0.000 0.902 82 Q HN 0.675 nan 8.270 nan 0.000 0.425 83 E N -0.575 119.604 120.200 -0.034 0.000 2.479 83 E HA 0.097 4.447 4.350 -0.001 0.000 0.193 83 E C 0.490 177.054 176.600 -0.060 0.000 1.049 83 E CA 0.153 56.516 56.400 -0.063 0.000 0.870 83 E CB 0.419 30.052 29.700 -0.111 0.000 0.944 83 E HN 0.432 nan 8.360 nan 0.000 0.492 84 G N 2.474 111.262 108.800 -0.020 0.000 2.356 84 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.296 84 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.296 84 G C 0.667 175.589 174.900 0.036 0.000 1.022 84 G CA 0.554 45.668 45.100 0.024 0.000 0.961 84 G HN 0.301 nan 8.290 nan 0.000 0.510 85 R N -0.385 120.083 120.500 -0.053 0.000 2.276 85 R HA 0.374 4.713 4.340 -0.001 0.000 0.203 85 R C 1.488 177.872 176.300 0.139 0.000 1.017 85 R CA 0.964 57.003 56.100 -0.102 0.000 1.010 85 R CB 0.301 30.259 30.300 -0.570 0.000 0.900 85 R HN 0.607 nan 8.270 nan 0.000 0.469 86 A N -0.082 122.789 122.820 0.085 0.000 2.337 86 A HA 0.642 4.962 4.320 -0.001 0.000 0.329 86 A C 0.810 178.065 177.584 -0.548 0.000 1.146 86 A CA -0.320 51.648 52.037 -0.116 0.000 0.800 86 A CB 1.303 20.318 19.000 0.026 0.000 1.220 86 A HN 0.163 nan 8.150 nan 0.000 0.472 87 A N 2.145 124.395 122.820 -0.949 0.000 1.883 87 A HA 0.015 4.334 4.320 -0.001 0.000 0.217 87 A C 1.151 178.658 177.584 -0.129 0.000 1.186 87 A CA 1.402 52.969 52.037 -0.783 0.000 0.624 87 A CB -0.237 18.375 19.000 -0.645 0.000 0.822 87 A HN 0.741 nan 8.150 nan 0.000 0.444 88 K N -1.313 118.988 120.400 -0.165 0.000 2.238 88 K HA 0.404 4.724 4.320 -0.001 0.000 0.239 88 K C 0.173 176.736 176.600 -0.061 0.000 0.987 88 K CA -0.779 55.478 56.287 -0.050 0.000 0.857 88 K CB 0.983 33.442 32.500 -0.068 0.000 1.154 88 K HN 0.062 nan 8.250 nan 0.000 0.439 89 Q N 0.972 120.764 119.800 -0.013 0.000 2.339 89 Q HA -0.032 4.307 4.340 -0.001 0.000 0.205 89 Q C 1.151 177.167 176.000 0.027 0.000 0.925 89 Q CA 1.016 56.795 55.803 -0.040 0.000 0.898 89 Q CB 0.360 29.038 28.738 -0.101 0.000 1.013 89 Q HN 0.569 nan 8.270 nan 0.000 0.504 90 E N 0.730 120.983 120.200 0.088 0.000 2.065 90 E HA -0.190 4.159 4.350 -0.001 0.000 0.201 90 E C -0.936 175.750 176.600 0.144 0.000 1.016 90 E CA 1.894 58.442 56.400 0.246 0.000 0.818 90 E CB -1.173 28.673 29.700 0.244 0.000 0.749 90 E HN 0.287 nan 8.360 nan 0.000 0.453 91 P HA -0.156 nan 4.420 nan 0.000 0.215 91 P C 1.224 178.517 177.300 -0.010 0.000 1.157 91 P CA 1.754 64.612 63.100 -0.403 0.000 0.874 91 P CB -0.056 31.109 31.700 -0.891 0.000 0.790 92 T N -0.248 114.285 114.554 -0.035 0.000 2.652 92 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 92 T C 1.715 176.469 174.700 0.089 0.000 1.039 92 T CA 1.249 63.359 62.100 0.015 0.000 1.153 92 T CB -1.003 67.848 68.868 -0.029 0.000 0.863 92 T HN 0.055 nan 8.240 nan 0.000 0.428 93 L N -0.180 121.140 121.223 0.162 0.000 2.201 93 L HA 0.014 4.354 4.340 -0.001 0.000 0.212 93 L C 2.205 179.316 176.870 0.402 0.000 1.105 93 L CA 0.957 55.977 54.840 0.298 0.000 0.775 93 L CB -0.509 41.776 42.059 0.377 0.000 0.913 93 L HN 0.211 nan 8.230 nan 0.000 0.440 94 F N 0.926 120.908 119.950 0.054 0.000 2.128 94 F HA -0.135 4.391 4.527 -0.001 0.000 0.295 94 F C 2.442 178.184 175.800 -0.097 0.000 1.100 94 F CA 1.168 58.959 58.000 -0.348 0.000 1.260 94 F CB -0.245 38.345 39.000 -0.682 0.000 1.009 94 F HN -0.028 nan 8.300 nan 0.000 0.476 95 A N 0.256 123.095 122.820 0.032 0.000 1.933 95 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 95 A C 2.109 179.619 177.584 -0.124 0.000 1.175 95 A CA 1.704 53.697 52.037 -0.075 0.000 0.628 95 A CB -1.203 17.852 19.000 0.092 0.000 0.814 95 A HN 0.501 nan 8.150 nan 0.000 0.444 96 L N -0.508 120.701 121.223 -0.023 0.000 2.093 96 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 96 L C 2.713 179.629 176.870 0.078 0.000 1.085 96 L CA 1.833 56.675 54.840 0.003 0.000 0.755 96 L CB -0.604 41.458 42.059 0.005 0.000 0.904 96 L HN 0.346 nan 8.230 nan 0.000 0.435 97 A N -1.018 121.849 122.820 0.078 0.000 1.865 97 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 97 A C 2.252 179.647 177.584 -0.315 0.000 1.191 97 A CA 2.175 54.103 52.037 -0.182 0.000 0.623 97 A CB -1.201 17.630 19.000 -0.281 0.000 0.826 97 A HN 0.261 nan 8.150 nan 0.000 0.444 98 V N -0.462 119.186 119.914 -0.444 0.000 2.252 98 V HA -0.391 3.728 4.120 -0.001 0.000 0.249 98 V C 2.686 178.626 176.094 -0.257 0.000 1.056 98 V CA 2.284 64.340 62.300 -0.406 0.000 1.022 98 V CB -1.266 30.264 31.823 -0.489 0.000 0.641 98 V HN 0.720 nan 8.190 nan 0.000 0.445 99 C N 0.759 119.929 119.300 -0.217 0.000 2.410 99 C HA -0.117 4.343 4.460 -0.001 0.000 0.281 99 C C 3.108 177.978 174.990 -0.201 0.000 1.318 99 C CA 1.307 60.222 59.018 -0.172 0.000 1.776 99 C CB -1.372 26.281 27.740 -0.145 0.000 1.942 99 C HN 0.788 nan 8.230 nan 0.000 0.508 100 S N 0.608 116.150 115.700 -0.263 0.000 2.522 100 S HA -0.053 4.417 4.470 -0.001 0.000 0.227 100 S C 0.460 174.930 174.600 -0.217 0.000 0.986 100 S CA 0.228 58.168 58.200 -0.432 0.000 0.929 100 S CB -0.364 62.498 63.200 -0.563 0.000 0.769 100 S HN 0.896 nan 8.310 nan 0.000 0.529 101 Q N -1.956 117.753 119.800 -0.151 0.000 2.379 101 Q HA 0.590 4.930 4.340 -0.001 0.000 0.278 101 Q C -0.182 175.776 176.000 -0.070 0.000 1.068 101 Q CA -0.447 55.312 55.803 -0.073 0.000 0.816 101 Q CB 1.192 29.873 28.738 -0.096 0.000 1.387 101 Q HN 0.098 nan 8.270 nan 0.000 0.413 102 C N 0.201 119.482 119.300 -0.032 0.000 5.809 102 C HA -0.218 4.241 4.460 -0.001 0.000 0.315 102 C C 1.002 175.974 174.990 -0.030 0.000 2.330 102 C CA 1.253 60.253 59.018 -0.030 0.000 2.087 102 C CB -1.984 25.728 27.740 -0.046 0.000 3.097 102 C HN 0.934 nan 8.230 nan 0.000 0.339 103 S N 0.932 116.606 115.700 -0.043 0.000 2.596 103 S HA 0.355 4.824 4.470 -0.001 0.000 0.260 103 S C 0.036 174.626 174.600 -0.017 0.000 1.336 103 S CA 0.313 58.488 58.200 -0.041 0.000 0.993 103 S CB 0.401 63.564 63.200 -0.062 0.000 0.923 103 S HN 0.744 nan 8.310 nan 0.000 0.567 104 D N -0.355 120.036 120.400 -0.015 0.000 2.449 104 D HA -0.015 4.625 4.640 -0.001 0.000 0.236 104 D C 1.048 177.354 176.300 0.010 0.000 1.149 104 D CA -0.487 53.511 54.000 -0.002 0.000 0.878 104 D CB 0.315 41.112 40.800 -0.005 0.000 1.198 104 D HN 0.273 nan 8.370 nan 0.000 0.446 105 I N 1.665 122.247 120.570 0.021 0.000 2.185 105 I HA -0.351 3.818 4.170 -0.001 0.000 0.246 105 I C 1.784 177.924 176.117 0.039 0.000 1.088 105 I CA 1.758 63.080 61.300 0.037 0.000 1.347 105 I CB -0.304 37.717 38.000 0.034 0.000 1.041 105 I HN 0.437 nan 8.210 nan 0.000 0.415 106 K N -0.328 120.086 120.400 0.024 0.000 2.032 106 K HA -0.156 4.163 4.320 -0.001 0.000 0.209 106 K C 2.071 178.680 176.600 0.015 0.000 1.048 106 K CA 2.173 58.473 56.287 0.021 0.000 0.927 106 K CB -1.133 31.374 32.500 0.011 0.000 0.712 106 K HN 0.421 nan 8.250 nan 0.000 0.441 107 T N 1.962 116.516 114.554 0.001 0.000 2.777 107 T HA -0.078 4.271 4.350 -0.001 0.000 0.266 107 T C 1.901 176.583 174.700 -0.030 0.000 1.040 107 T CA 1.192 63.280 62.100 -0.021 0.000 1.141 107 T CB -0.011 68.835 68.868 -0.037 0.000 0.868 107 T HN 0.266 nan 8.240 nan 0.000 0.444 108 K N 1.164 121.560 120.400 -0.006 0.000 2.063 108 K HA -0.123 4.197 4.320 -0.001 0.000 0.208 108 K C 2.571 179.233 176.600 0.103 0.000 1.048 108 K CA 1.296 57.586 56.287 0.004 0.000 0.928 108 K CB -0.224 32.343 32.500 0.111 0.000 0.713 108 K HN 0.472 nan 8.250 nan 0.000 0.442 109 Q N 0.206 120.090 119.800 0.141 0.000 2.124 109 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 109 Q C 2.179 178.248 176.000 0.116 0.000 0.977 109 Q CA 1.361 57.268 55.803 0.173 0.000 0.850 109 Q CB -0.185 28.618 28.738 0.109 0.000 0.901 109 Q HN 0.342 nan 8.270 nan 0.000 0.429 110 A N 1.213 124.060 122.820 0.045 0.000 1.898 110 A HA -0.055 4.265 4.320 -0.001 0.000 0.216 110 A C 2.333 179.906 177.584 -0.019 0.000 1.181 110 A CA 1.389 53.435 52.037 0.015 0.000 0.620 110 A CB -0.725 18.273 19.000 -0.004 0.000 0.819 110 A HN 0.379 nan 8.150 nan 0.000 0.442 111 A N -0.883 121.887 122.820 -0.083 0.000 1.883 111 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 111 A C 2.010 179.466 177.584 -0.215 0.000 1.186 111 A CA 1.572 53.491 52.037 -0.197 0.000 0.624 111 A CB -0.846 17.958 19.000 -0.327 0.000 0.822 111 A HN 0.511 nan 8.150 nan 0.000 0.444 112 F N -0.545 119.411 119.950 0.009 0.000 2.234 112 F HA -0.067 4.460 4.527 -0.001 0.000 0.299 112 F C 2.551 178.345 175.800 -0.010 0.000 1.087 112 F CA 1.068 59.072 58.000 0.008 0.000 1.340 112 F CB -0.060 38.964 39.000 0.040 0.000 1.031 112 F HN 0.094 nan 8.300 nan 0.000 0.500 113 R N -0.160 120.430 120.500 0.149 0.000 2.280 113 R HA 0.007 4.346 4.340 -0.001 0.000 0.207 113 R C 1.993 178.312 176.300 0.031 0.000 1.043 113 R CA 0.777 56.927 56.100 0.084 0.000 1.006 113 R CB -0.287 30.049 30.300 0.061 0.000 0.885 113 R HN 0.228 nan 8.270 nan 0.000 0.467 114 A N 0.233 123.049 122.820 -0.007 0.000 2.147 114 A HA 0.054 4.373 4.320 -0.001 0.000 0.211 114 A C 2.102 179.639 177.584 -0.079 0.000 1.160 114 A CA 0.079 52.089 52.037 -0.046 0.000 0.781 114 A CB 0.133 19.090 19.000 -0.072 0.000 0.842 114 A HN 0.040 nan 8.150 nan 0.000 0.475 115 V N 1.693 121.550 119.914 -0.095 0.000 2.282 115 V HA -0.193 3.926 4.120 -0.001 0.000 0.249 115 V C -0.039 176.046 176.094 -0.014 0.000 1.057 115 V CA 2.710 64.920 62.300 -0.149 0.000 1.032 115 V CB -1.405 30.350 31.823 -0.113 0.000 0.645 115 V HN 0.480 nan 8.190 nan 0.000 0.447 116 P HA -0.140 nan 4.420 nan 0.000 0.220 116 P C 1.098 178.396 177.300 -0.003 0.000 1.148 116 P CA 1.458 64.577 63.100 0.033 0.000 0.803 116 P CB 0.133 31.829 31.700 -0.006 0.000 0.782 117 E N -0.636 119.556 120.200 -0.013 0.000 2.190 117 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 117 E C 2.097 178.687 176.600 -0.017 0.000 0.978 117 E CA 0.467 56.857 56.400 -0.017 0.000 0.839 117 E CB -0.797 28.891 29.700 -0.020 0.000 0.787 117 E HN 0.049 nan 8.360 nan 0.000 0.473 118 V N -0.042 119.845 119.914 -0.045 0.000 2.446 118 V HA -0.071 4.048 4.120 -0.001 0.000 0.244 118 V C 0.888 176.940 176.094 -0.070 0.000 1.039 118 V CA 0.711 62.961 62.300 -0.084 0.000 1.045 118 V CB 0.090 31.827 31.823 -0.144 0.000 0.681 118 V HN 0.236 nan 8.190 nan 0.000 0.459 119 C N 1.841 121.136 119.300 -0.009 0.000 2.145 119 C HA 0.331 4.791 4.460 -0.001 0.000 0.374 119 C C 1.860 177.058 174.990 0.347 0.000 1.035 119 C CA -0.549 58.546 59.018 0.127 0.000 1.431 119 C CB -1.366 26.355 27.740 -0.030 0.000 1.789 119 C HN 0.426 nan 8.230 nan 0.000 0.483 120 R N 1.637 122.370 120.500 0.388 0.000 2.140 120 R HA 0.191 4.530 4.340 -0.001 0.000 0.213 120 R C 0.800 177.198 176.300 0.164 0.000 1.059 120 R CA 0.815 57.055 56.100 0.233 0.000 1.000 120 R CB 0.160 30.565 30.300 0.175 0.000 0.910 120 R HN 0.773 nan 8.270 nan 0.000 0.455 121 I N -3.527 117.024 120.570 -0.032 0.000 2.957 121 I HA 0.420 4.590 4.170 -0.001 0.000 0.310 121 I C -2.342 173.539 176.117 -0.393 0.000 1.063 121 I CA -3.072 58.066 61.300 -0.270 0.000 1.033 121 I CB 2.142 39.740 38.000 -0.671 0.000 1.230 121 I HN -0.312 nan 8.210 nan 0.000 0.447 122 P HA -0.153 nan 4.420 nan 0.000 0.216 122 P C 1.407 178.176 177.300 -0.885 0.000 1.154 122 P CA 2.000 64.612 63.100 -0.812 0.000 0.865 122 P CB -0.025 31.466 31.700 -0.348 0.000 0.789 123 T N -1.836 112.341 114.554 -0.628 0.000 2.699 123 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 123 T C 1.477 176.093 174.700 -0.140 0.000 1.036 123 T CA 1.634 63.583 62.100 -0.252 0.000 1.147 123 T CB -1.190 67.525 68.868 -0.255 0.000 0.862 123 T HN 0.423 nan 8.240 nan 0.000 0.446 124 H N 0.159 119.087 119.070 -0.236 0.000 2.353 124 H HA 0.099 4.655 4.556 -0.001 0.000 0.300 124 H C 2.417 177.621 175.328 -0.207 0.000 1.090 124 H CA 0.842 56.794 56.048 -0.159 0.000 1.327 124 H CB -0.100 29.587 29.762 -0.125 0.000 1.383 124 H HN 0.155 nan 8.280 nan 0.000 0.508 125 L N 0.370 121.401 121.223 -0.321 0.000 2.005 125 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 125 L C 1.896 178.609 176.870 -0.262 0.000 1.072 125 L CA 1.255 55.812 54.840 -0.471 0.000 0.744 125 L CB -0.275 41.115 42.059 -1.115 0.000 0.895 125 L HN 0.282 nan 8.230 nan 0.000 0.433 126 F N -0.549 119.240 119.950 -0.269 0.000 2.161 126 F HA -0.263 4.264 4.527 -0.001 0.000 0.300 126 F C 2.480 178.122 175.800 -0.264 0.000 1.089 126 F CA 1.338 59.183 58.000 -0.258 0.000 1.282 126 F CB -0.497 38.435 39.000 -0.114 0.000 1.010 126 F HN 0.121 nan 8.300 nan 0.000 0.485 127 T N 0.242 114.799 114.554 0.005 0.000 2.812 127 T HA -0.188 4.161 4.350 -0.001 0.000 0.264 127 T C 1.603 176.187 174.700 -0.194 0.000 1.042 127 T CA 1.077 63.079 62.100 -0.164 0.000 1.140 127 T CB -0.570 68.242 68.868 -0.093 0.000 0.870 127 T HN 0.293 nan 8.240 nan 0.000 0.445 128 F N 1.913 121.773 119.950 -0.150 0.000 2.102 128 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 128 F C 1.933 177.641 175.800 -0.154 0.000 1.105 128 F CA 1.150 59.114 58.000 -0.060 0.000 1.239 128 F CB -0.214 38.728 39.000 -0.096 0.000 0.991 128 F HN -0.014 nan 8.300 nan 0.000 0.474 129 I N 0.774 121.140 120.570 -0.340 0.000 2.163 129 I HA -0.289 3.880 4.170 -0.001 0.000 0.243 129 I C 2.407 178.177 176.117 -0.579 0.000 1.085 129 I CA 1.545 62.446 61.300 -0.664 0.000 1.347 129 I CB -1.625 35.848 38.000 -0.878 0.000 1.044 129 I HN 0.328 nan 8.210 nan 0.000 0.408 130 Q N 0.951 120.485 119.800 -0.443 0.000 2.124 130 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 130 Q C 2.214 178.220 176.000 0.011 0.000 0.977 130 Q CA 1.826 57.599 55.803 -0.050 0.000 0.850 130 Q CB -0.611 28.137 28.738 0.017 0.000 0.901 130 Q HN 0.502 nan 8.270 nan 0.000 0.429 131 F N 0.180 120.108 119.950 -0.037 0.000 2.171 131 F HA -0.144 4.383 4.527 -0.001 0.000 0.300 131 F C 2.148 177.876 175.800 -0.120 0.000 1.090 131 F CA 0.909 58.917 58.000 0.012 0.000 1.293 131 F CB 0.016 39.061 39.000 0.075 0.000 1.013 131 F HN 0.085 nan 8.300 nan 0.000 0.486 132 K N 0.458 120.776 120.400 -0.136 0.000 2.097 132 K HA -0.223 4.096 4.320 -0.001 0.000 0.206 132 K C 2.011 178.537 176.600 -0.124 0.000 1.049 132 K CA 1.282 57.409 56.287 -0.266 0.000 0.933 132 K CB -0.204 31.970 32.500 -0.542 0.000 0.717 132 K HN 0.129 nan 8.250 nan 0.000 0.442 133 K N 1.131 121.503 120.400 -0.046 0.000 2.097 133 K HA -0.195 4.125 4.320 -0.001 0.000 0.206 133 K C 1.235 177.894 176.600 0.099 0.000 1.049 133 K CA 1.840 58.174 56.287 0.079 0.000 0.933 133 K CB 0.055 32.705 32.500 0.251 0.000 0.717 133 K HN 0.029 nan 8.250 nan 0.000 0.442 134 D N 0.865 121.346 120.400 0.135 0.000 2.144 134 D HA -0.122 4.517 4.640 -0.001 0.000 0.200 134 D C 1.917 178.285 176.300 0.112 0.000 0.978 134 D CA 0.935 55.029 54.000 0.157 0.000 0.833 134 D CB -0.007 40.950 40.800 0.261 0.000 0.961 134 D HN 0.259 nan 8.370 nan 0.000 0.470 135 L N 0.515 121.779 121.223 0.069 0.000 2.313 135 L HA -0.054 4.286 4.340 -0.001 0.000 0.214 135 L C 2.309 179.176 176.870 -0.005 0.000 1.119 135 L CA 0.566 55.413 54.840 0.012 0.000 0.809 135 L CB -0.092 41.918 42.059 -0.081 0.000 0.933 135 L HN -0.080 nan 8.230 nan 0.000 0.449 136 K N 0.609 121.008 120.400 -0.002 0.000 2.000 136 K HA -0.262 4.057 4.320 -0.001 0.000 0.218 136 K C 1.816 178.426 176.600 0.017 0.000 1.053 136 K CA 2.137 58.426 56.287 0.003 0.000 0.946 136 K CB -0.327 32.189 32.500 0.027 0.000 0.723 136 K HN 0.397 nan 8.250 nan 0.000 0.446 137 E N -0.306 119.915 120.200 0.034 0.000 2.028 137 E HA -0.247 4.103 4.350 -0.001 0.000 0.217 137 E C 2.140 178.754 176.600 0.023 0.000 1.039 137 E CA 1.513 57.933 56.400 0.033 0.000 0.882 137 E CB -0.638 29.088 29.700 0.043 0.000 0.794 137 E HN 0.497 nan 8.360 nan 0.000 0.488 138 G N 1.220 110.035 108.800 0.026 0.000 2.586 138 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.218 138 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.218 138 G C 1.456 176.358 174.900 0.003 0.000 1.216 138 G CA 1.398 46.508 45.100 0.017 0.000 0.786 138 G HN 0.130 nan 8.290 nan 0.000 0.583 139 M N 0.434 120.030 119.600 -0.008 0.000 2.722 139 M HA 0.124 4.604 4.480 -0.001 0.000 0.238 139 M C 0.719 177.012 176.300 -0.012 0.000 1.098 139 M CA 0.463 55.751 55.300 -0.021 0.000 1.062 139 M CB -0.055 32.518 32.600 -0.046 0.000 1.573 139 M HN 0.168 nan 8.290 nan 0.000 0.531 140 K N -0.130 120.269 120.400 -0.001 0.000 2.884 140 K HA -0.229 4.091 4.320 -0.001 0.000 0.247 140 K C -0.112 176.491 176.600 0.006 0.000 0.951 140 K CA 0.683 56.974 56.287 0.006 0.000 0.706 140 K CB -2.301 30.203 32.500 0.007 0.000 1.240 140 K HN 0.695 nan 8.250 nan 0.000 0.484 141 C N -3.193 116.106 119.300 -0.001 0.000 2.595 141 C HA 0.849 5.308 4.460 -0.001 0.000 0.338 141 C C 1.204 176.196 174.990 0.004 0.000 1.219 141 C CA -0.447 58.572 59.018 0.001 0.000 1.811 141 C CB 1.315 29.048 27.740 -0.011 0.000 2.313 141 C HN 0.325 nan 8.230 nan 0.000 0.499 142 G N 0.342 109.150 108.800 0.015 0.000 2.557 142 G HA2 0.532 4.492 3.960 -0.001 0.000 0.292 142 G HA3 0.532 4.492 3.960 -0.001 0.000 0.292 142 G C 0.130 175.015 174.900 -0.024 0.000 1.237 142 G CA -0.242 44.874 45.100 0.026 0.000 0.978 142 G HN 1.220 nan 8.290 nan 0.000 0.498 143 M N -3.041 116.519 119.600 -0.068 0.000 2.251 143 M HA 0.366 4.845 4.480 -0.001 0.000 0.308 143 M C 0.257 176.335 176.300 -0.369 0.000 0.967 143 M CA -0.193 54.952 55.300 -0.258 0.000 1.103 143 M CB 0.935 33.279 32.600 -0.428 0.000 1.815 143 M HN 0.415 nan 8.290 nan 0.000 0.623 144 W N 3.495 124.827 121.300 0.053 0.000 3.040 144 W HA 0.561 5.220 4.660 -0.001 0.000 0.444 144 W C 1.092 177.636 176.519 0.041 0.000 0.793 144 W CA -0.621 56.758 57.345 0.056 0.000 2.104 144 W CB -0.145 29.363 29.460 0.079 0.000 1.060 144 W HN 0.291 nan 8.180 nan 0.000 0.842 145 G N 0.388 109.271 108.800 0.139 0.000 2.631 145 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.271 145 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.271 145 G C 0.909 175.859 174.900 0.084 0.000 1.302 145 G CA -0.533 44.624 45.100 0.095 0.000 1.002 145 G HN 0.299 nan 8.290 nan 0.000 0.519 146 R N -0.700 119.821 120.500 0.035 0.000 2.148 146 R HA -0.009 4.330 4.340 -0.001 0.000 0.223 146 R C 2.749 179.006 176.300 -0.072 0.000 1.088 146 R CA 1.265 57.375 56.100 0.017 0.000 0.985 146 R CB -0.377 29.928 30.300 0.009 0.000 0.880 146 R HN 0.509 nan 8.270 nan 0.000 0.451 147 A N 1.225 123.933 122.820 -0.186 0.000 1.877 147 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 147 A C 2.099 179.239 177.584 -0.740 0.000 1.186 147 A CA 1.074 52.814 52.037 -0.495 0.000 0.620 147 A CB -0.612 18.014 19.000 -0.624 0.000 0.822 147 A HN 0.397 nan 8.150 nan 0.000 0.443 148 L N -0.724 120.185 121.223 -0.524 0.000 2.027 148 L HA -0.180 4.160 4.340 -0.001 0.000 0.206 148 L C 2.858 179.751 176.870 0.038 0.000 1.074 148 L CA 1.466 56.150 54.840 -0.260 0.000 0.745 148 L CB -0.403 41.545 42.059 -0.185 0.000 0.898 148 L HN 0.422 nan 8.230 nan 0.000 0.433 149 R N -0.124 120.484 120.500 0.180 0.000 2.103 149 R HA -0.254 4.085 4.340 -0.001 0.000 0.242 149 R C 2.238 178.641 176.300 0.171 0.000 1.142 149 R CA 1.676 57.948 56.100 0.286 0.000 0.960 149 R CB -0.401 30.056 30.300 0.262 0.000 0.858 149 R HN 0.178 nan 8.270 nan 0.000 0.439 150 K N 1.178 121.614 120.400 0.060 0.000 2.025 150 K HA -0.060 4.260 4.320 -0.001 0.000 0.207 150 K C 1.972 178.619 176.600 0.078 0.000 1.049 150 K CA 1.700 58.015 56.287 0.047 0.000 0.933 150 K CB -0.478 32.008 32.500 -0.023 0.000 0.714 150 K HN 0.137 nan 8.250 nan 0.000 0.438 151 A N 0.241 123.077 122.820 0.027 0.000 1.865 151 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 151 A C 2.383 180.110 177.584 0.239 0.000 1.191 151 A CA 2.131 54.247 52.037 0.132 0.000 0.623 151 A CB -1.008 18.105 19.000 0.187 0.000 0.826 151 A HN 0.133 nan 8.150 nan 0.000 0.444 152 V N -0.082 119.992 119.914 0.266 0.000 2.287 152 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 152 V C 2.822 179.194 176.094 0.463 0.000 1.053 152 V CA 2.402 64.917 62.300 0.359 0.000 1.027 152 V CB -0.880 31.181 31.823 0.397 0.000 0.646 152 V HN 0.578 nan 8.190 nan 0.000 0.447 153 S N -0.116 115.790 115.700 0.344 0.000 2.368 153 S HA -0.221 4.249 4.470 -0.001 0.000 0.225 153 S C 1.724 176.506 174.600 0.302 0.000 1.030 153 S CA 1.630 60.019 58.200 0.314 0.000 0.999 153 S CB -0.437 62.884 63.200 0.201 0.000 0.844 153 S HN 0.618 nan 8.310 nan 0.000 0.459 154 D N -0.219 120.322 120.400 0.234 0.000 2.219 154 D HA -0.069 4.571 4.640 -0.001 0.000 0.205 154 D C 1.324 177.724 176.300 0.167 0.000 0.970 154 D CA 0.435 54.535 54.000 0.166 0.000 0.851 154 D CB -0.224 40.645 40.800 0.117 0.000 0.943 154 D HN 0.524 nan 8.370 nan 0.000 0.488 155 W N 0.453 121.790 121.300 0.061 0.000 2.355 155 W HA -0.247 4.413 4.660 -0.001 0.000 0.309 155 W C 1.816 178.267 176.519 -0.112 0.000 1.206 155 W CA 1.452 58.758 57.345 -0.066 0.000 1.284 155 W CB -0.435 28.933 29.460 -0.154 0.000 1.145 155 W HN -0.021 nan 8.180 nan 0.000 0.502 156 Y N -0.002 120.505 120.300 0.345 0.000 2.243 156 Y HA -0.129 4.420 4.550 -0.001 0.000 0.293 156 Y C 2.379 178.312 175.900 0.055 0.000 1.124 156 Y CA 1.546 59.776 58.100 0.217 0.000 1.159 156 Y CB -1.006 37.634 38.460 0.299 0.000 1.008 156 Y HN -0.120 nan 8.280 nan 0.000 0.527 157 N N -0.563 118.271 118.700 0.222 0.000 2.396 157 N HA -0.096 4.643 4.740 -0.001 0.000 0.180 157 N C 1.610 177.139 175.510 0.030 0.000 1.028 157 N CA 1.626 54.746 53.050 0.117 0.000 0.893 157 N CB -0.535 38.021 38.487 0.116 0.000 0.967 157 N HN 0.452 nan 8.380 nan 0.000 0.440 158 T N -2.747 111.791 114.554 -0.026 0.000 3.129 158 T HA 0.179 4.528 4.350 -0.001 0.000 0.251 158 T C 0.651 175.274 174.700 -0.128 0.000 1.117 158 T CA 0.139 62.194 62.100 -0.075 0.000 1.034 158 T CB 0.297 69.105 68.868 -0.100 0.000 0.968 158 T HN -0.048 nan 8.240 nan 0.000 0.526 159 K N 1.979 122.290 120.400 -0.148 0.000 2.118 159 K HA 0.282 4.601 4.320 -0.001 0.000 0.254 159 K C -0.409 176.133 176.600 -0.097 0.000 0.961 159 K CA -0.853 55.328 56.287 -0.175 0.000 0.876 159 K CB 1.011 33.341 32.500 -0.283 0.000 1.077 159 K HN 0.181 nan 8.250 nan 0.000 0.440 160 D N 1.517 121.857 120.400 -0.101 0.000 2.417 160 D HA 0.003 4.642 4.640 -0.001 0.000 0.250 160 D C 0.765 177.025 176.300 -0.067 0.000 1.166 160 D CA 0.052 54.009 54.000 -0.073 0.000 0.881 160 D CB 1.471 42.224 40.800 -0.079 0.000 1.164 160 D HN 0.615 nan 8.370 nan 0.000 0.467 161 A N 4.502 127.297 122.820 -0.042 0.000 1.903 161 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 161 A C 2.042 179.583 177.584 -0.072 0.000 1.191 161 A CA 1.369 53.387 52.037 -0.032 0.000 0.638 161 A CB -0.573 18.419 19.000 -0.014 0.000 0.823 161 A HN 0.647 nan 8.150 nan 0.000 0.451 162 L N 0.895 122.057 121.223 -0.102 0.000 2.046 162 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 162 L C 2.161 178.888 176.870 -0.240 0.000 1.077 162 L CA 2.511 57.242 54.840 -0.182 0.000 0.747 162 L CB -0.843 41.115 42.059 -0.167 0.000 0.896 162 L HN 0.615 nan 8.230 nan 0.000 0.432 163 N N -0.360 118.239 118.700 -0.167 0.000 2.244 163 N HA -0.208 4.532 4.740 -0.001 0.000 0.183 163 N C 1.986 177.430 175.510 -0.110 0.000 1.016 163 N CA 1.334 54.296 53.050 -0.148 0.000 0.866 163 N CB -0.119 38.297 38.487 -0.119 0.000 0.980 163 N HN 0.517 nan 8.380 nan 0.000 0.430 164 L N 0.802 121.972 121.223 -0.087 0.000 2.093 164 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 164 L C 2.438 179.307 176.870 -0.002 0.000 1.085 164 L CA 1.216 56.044 54.840 -0.021 0.000 0.755 164 L CB -0.584 41.492 42.059 0.027 0.000 0.904 164 L HN 0.169 nan 8.230 nan 0.000 0.435 165 A N -0.180 122.601 122.820 -0.066 0.000 1.908 165 A HA -0.287 4.032 4.320 -0.001 0.000 0.218 165 A C 2.276 179.887 177.584 0.045 0.000 1.181 165 A CA 1.958 53.961 52.037 -0.055 0.000 0.627 165 A CB -0.590 18.335 19.000 -0.124 0.000 0.818 165 A HN 0.482 nan 8.150 nan 0.000 0.445 166 M N 0.053 119.603 119.600 -0.082 0.000 2.067 166 M HA -0.130 4.350 4.480 -0.001 0.000 0.260 166 M C 2.332 178.736 176.300 0.174 0.000 1.069 166 M CA 2.155 57.517 55.300 0.103 0.000 1.117 166 M CB -0.995 31.584 32.600 -0.036 0.000 1.334 166 M HN 0.407 nan 8.290 nan 0.000 0.407 167 A N -0.202 122.702 122.820 0.139 0.000 1.892 167 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 167 A C 2.177 179.927 177.584 0.278 0.000 1.188 167 A CA 2.166 54.363 52.037 0.266 0.000 0.631 167 A CB -1.247 17.890 19.000 0.228 0.000 0.822 167 A HN 0.427 nan 8.150 nan 0.000 0.447 168 V N 0.420 120.394 119.914 0.100 0.000 2.759 168 V HA -0.169 3.951 4.120 -0.001 0.000 0.256 168 V C 2.731 178.921 176.094 0.160 0.000 1.080 168 V CA 2.250 64.510 62.300 -0.066 0.000 1.101 168 V CB -0.833 30.932 31.823 -0.097 0.000 0.698 168 V HN 0.888 nan 8.190 nan 0.000 0.477 169 T N -3.032 111.637 114.554 0.192 0.000 3.040 169 T HA -0.017 4.332 4.350 -0.001 0.000 0.252 169 T C 1.799 176.515 174.700 0.026 0.000 1.064 169 T CA 0.658 62.887 62.100 0.214 0.000 1.110 169 T CB 0.055 69.114 68.868 0.318 0.000 0.921 169 T HN 0.378 nan 8.240 nan 0.000 0.480 170 K N 0.591 120.932 120.400 -0.099 0.000 2.062 170 K HA -0.002 4.317 4.320 -0.001 0.000 0.205 170 K C -0.323 176.022 176.600 -0.425 0.000 1.051 170 K CA 0.810 56.798 56.287 -0.499 0.000 0.941 170 K CB 0.054 32.226 32.500 -0.547 0.000 0.719 170 K HN 0.478 nan 8.250 nan 0.000 0.440 171 Y N 1.132 121.511 120.300 0.131 0.000 2.915 171 Y HA 0.269 4.819 4.550 -0.001 0.000 0.350 171 Y C 0.624 176.790 175.900 0.442 0.000 1.061 171 Y CA -0.838 57.409 58.100 0.246 0.000 1.179 171 Y CB 1.190 39.812 38.460 0.269 0.000 1.180 171 Y HN -0.138 nan 8.280 nan 0.000 0.605 172 K N 1.395 122.035 120.400 0.400 0.000 2.063 172 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 172 K C 0.263 177.095 176.600 0.386 0.000 1.048 172 K CA 1.444 57.980 56.287 0.415 0.000 0.928 172 K CB 0.168 32.803 32.500 0.226 0.000 0.713 172 K HN 0.760 nan 8.250 nan 0.000 0.442 173 Q N -1.018 118.913 119.800 0.218 0.000 2.479 173 Q HA 0.446 4.785 4.340 -0.001 0.000 0.276 173 Q C -1.118 174.872 176.000 -0.016 0.000 0.989 173 Q CA -1.082 54.656 55.803 -0.109 0.000 0.864 173 Q CB 1.893 30.536 28.738 -0.158 0.000 1.444 173 Q HN -0.198 nan 8.270 nan 0.000 0.388 174 R N 1.274 121.679 120.500 -0.158 0.000 2.680 174 R HA 0.388 4.728 4.340 -0.001 0.000 0.269 174 R C -0.572 175.750 176.300 0.037 0.000 1.026 174 R CA -0.725 55.423 56.100 0.080 0.000 0.889 174 R CB 1.296 31.781 30.300 0.307 0.000 1.241 174 R HN 1.105 nan 8.270 nan 0.000 0.463 175 N N 0.456 119.193 118.700 0.063 0.000 2.721 175 N HA -0.286 4.453 4.740 -0.001 0.000 0.249 175 N C 0.563 176.136 175.510 0.105 0.000 1.072 175 N CA 0.996 54.090 53.050 0.073 0.000 0.710 175 N CB -0.360 38.176 38.487 0.081 0.000 0.993 175 N HN 1.037 nan 8.380 nan 0.000 0.547 176 G N -2.304 106.483 108.800 -0.022 0.000 2.176 176 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.253 176 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.253 176 G C -0.353 174.316 174.900 -0.384 0.000 0.979 176 G CA 0.505 45.508 45.100 -0.163 0.000 0.641 176 G HN 0.392 nan 8.290 nan 0.000 0.530 177 W N 0.999 122.061 121.300 -0.397 0.000 2.736 177 W HA 0.715 5.375 4.660 -0.001 0.000 0.335 177 W C 0.486 176.374 176.519 -1.051 0.000 1.059 177 W CA -0.201 56.805 57.345 -0.564 0.000 1.226 177 W CB 1.806 31.003 29.460 -0.438 0.000 1.416 177 W HN 0.560 nan 8.180 nan 0.000 0.505 178 S N -0.414 115.028 115.700 -0.431 0.000 2.648 178 S HA 0.351 4.821 4.470 -0.001 0.000 0.305 178 S C 0.254 174.846 174.600 -0.013 0.000 1.094 178 S CA -0.553 57.447 58.200 -0.332 0.000 0.983 178 S CB 1.321 64.472 63.200 -0.081 0.000 1.101 178 S HN 0.599 nan 8.310 nan 0.000 0.514 179 H N 0.448 119.736 119.070 0.364 0.000 2.456 179 H HA 0.052 4.607 4.556 -0.001 0.000 0.296 179 H C 1.996 177.459 175.328 0.225 0.000 1.079 179 H CA 1.825 58.158 56.048 0.474 0.000 1.322 179 H CB 0.073 30.129 29.762 0.491 0.000 1.388 179 H HN 0.657 nan 8.280 nan 0.000 0.538 180 K N 0.568 121.110 120.400 0.236 0.000 2.026 180 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 180 K C 1.218 177.859 176.600 0.068 0.000 1.048 180 K CA 1.743 58.093 56.287 0.105 0.000 0.929 180 K CB 0.080 32.610 32.500 0.051 0.000 0.713 180 K HN 0.251 nan 8.250 nan 0.000 0.439 181 D N 1.044 121.498 120.400 0.089 0.000 2.133 181 D HA -0.189 4.450 4.640 -0.001 0.000 0.195 181 D C 1.990 178.397 176.300 0.179 0.000 0.997 181 D CA 1.070 55.136 54.000 0.109 0.000 0.840 181 D CB -0.136 40.755 40.800 0.151 0.000 0.947 181 D HN 0.276 nan 8.370 nan 0.000 0.452 182 L N -0.167 121.217 121.223 0.268 0.000 2.109 182 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 182 L C 2.342 179.245 176.870 0.054 0.000 1.086 182 L CA 0.316 55.309 54.840 0.256 0.000 0.760 182 L CB -0.256 42.046 42.059 0.405 0.000 0.910 182 L HN 0.038 nan 8.230 nan 0.000 0.437 183 L N -0.152 121.057 121.223 -0.023 0.000 2.046 183 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 183 L C 2.745 179.495 176.870 -0.200 0.000 1.077 183 L CA 1.655 56.415 54.840 -0.133 0.000 0.747 183 L CB -0.629 41.354 42.059 -0.126 0.000 0.896 183 L HN 0.110 nan 8.230 nan 0.000 0.432 184 R N -0.896 119.482 120.500 -0.202 0.000 2.073 184 R HA -0.104 4.236 4.340 -0.001 0.000 0.234 184 R C 2.157 178.068 176.300 -0.648 0.000 1.134 184 R CA 1.261 57.161 56.100 -0.334 0.000 0.952 184 R CB -0.433 29.744 30.300 -0.204 0.000 0.850 184 R HN 0.311 nan 8.270 nan 0.000 0.433 185 L N 0.334 121.224 121.223 -0.555 0.000 2.240 185 L HA -0.043 4.297 4.340 -0.001 0.000 0.211 185 L C 2.408 178.873 176.870 -0.676 0.000 1.106 185 L CA 0.957 55.292 54.840 -0.841 0.000 0.793 185 L CB -0.251 41.000 42.059 -1.346 0.000 0.927 185 L HN 0.260 nan 8.230 nan 0.000 0.446 186 S N -2.548 112.940 115.700 -0.353 0.000 2.478 186 S HA -0.097 4.373 4.470 -0.001 0.000 0.222 186 S C 0.849 175.490 174.600 0.068 0.000 1.008 186 S CA -0.087 58.118 58.200 0.008 0.000 0.928 186 S CB -0.216 63.079 63.200 0.158 0.000 0.781 186 S HN 0.471 nan 8.310 nan 0.000 0.518 187 H N 0.484 119.536 119.070 -0.031 0.000 2.791 187 H HA -0.123 4.433 4.556 -0.001 0.000 0.302 187 H C 0.256 175.592 175.328 0.015 0.000 1.198 187 H CA 0.905 56.943 56.048 -0.016 0.000 1.145 187 H CB -2.171 27.579 29.762 -0.019 0.000 1.385 187 H HN 0.612 nan 8.280 nan 0.000 0.409 188 I N 0.930 121.540 120.570 0.067 0.000 2.932 188 I HA -0.022 4.148 4.170 -0.001 0.000 0.295 188 I C 0.806 176.966 176.117 0.071 0.000 1.227 188 I CA 0.531 61.879 61.300 0.081 0.000 1.429 188 I CB 0.389 38.421 38.000 0.054 0.000 1.339 188 I HN 0.092 nan 8.210 nan 0.000 0.589 189 K N 8.885 129.333 120.400 0.080 0.000 2.521 189 K HA 0.544 4.863 4.320 -0.001 0.000 0.248 189 K C -2.592 174.052 176.600 0.073 0.000 0.978 189 K CA -2.262 54.066 56.287 0.068 0.000 0.947 189 K CB 1.148 33.685 32.500 0.062 0.000 1.165 189 K HN 0.208 nan 8.250 nan 0.000 0.445 190 P HA -0.067 nan 4.420 nan 0.000 0.264 190 P C -0.241 177.102 177.300 0.072 0.000 1.179 190 P CA 0.246 63.394 63.100 0.081 0.000 0.763 190 P CB 0.903 32.653 31.700 0.083 0.000 0.806 191 A N 3.227 126.090 122.820 0.072 0.000 2.132 191 A HA 0.049 4.369 4.320 -0.001 0.000 0.213 191 A C 0.724 178.339 177.584 0.051 0.000 1.154 191 A CA 0.876 52.947 52.037 0.057 0.000 0.753 191 A CB -0.596 18.435 19.000 0.052 0.000 0.826 191 A HN 0.790 nan 8.150 nan 0.000 0.469 192 N N -2.861 115.874 118.700 0.059 0.000 3.020 192 N HA 0.187 4.927 4.740 -0.001 0.000 0.248 192 N C 0.005 175.560 175.510 0.076 0.000 1.480 192 N CA -0.505 52.580 53.050 0.057 0.000 0.874 192 N CB 0.579 39.093 38.487 0.044 0.000 1.433 192 N HN -0.205 nan 8.380 nan 0.000 0.530 193 E N 0.685 120.935 120.200 0.083 0.000 2.065 193 E HA -0.151 4.199 4.350 -0.001 0.000 0.201 193 E C 1.905 178.578 176.600 0.121 0.000 1.016 193 E CA 2.673 59.148 56.400 0.125 0.000 0.818 193 E CB -0.940 28.835 29.700 0.125 0.000 0.749 193 E HN 0.732 nan 8.360 nan 0.000 0.453 194 G N 0.792 109.635 108.800 0.071 0.000 2.491 194 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 194 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 194 G C 1.474 176.407 174.900 0.055 0.000 1.180 194 G CA 0.929 46.052 45.100 0.038 0.000 0.774 194 G HN 0.244 nan 8.290 nan 0.000 0.562 195 L N 0.843 122.108 121.223 0.070 0.000 2.043 195 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 195 L C 3.090 180.025 176.870 0.108 0.000 1.075 195 L CA 2.293 57.187 54.840 0.091 0.000 0.752 195 L CB -1.464 40.651 42.059 0.093 0.000 0.891 195 L HN 0.228 nan 8.230 nan 0.000 0.432 196 T N -0.523 114.104 114.554 0.122 0.000 2.720 196 T HA -0.277 4.073 4.350 -0.001 0.000 0.268 196 T C 1.859 176.676 174.700 0.194 0.000 1.037 196 T CA 1.809 64.000 62.100 0.152 0.000 1.144 196 T CB -0.136 68.835 68.868 0.172 0.000 0.864 196 T HN 0.314 nan 8.240 nan 0.000 0.444 197 M N 0.737 120.440 119.600 0.172 0.000 2.086 197 M HA -0.105 4.375 4.480 -0.001 0.000 0.261 197 M C 2.137 178.509 176.300 0.121 0.000 1.067 197 M CA 1.624 56.966 55.300 0.070 0.000 1.116 197 M CB -0.297 32.178 32.600 -0.208 0.000 1.348 197 M HN 0.060 nan 8.290 nan 0.000 0.407 198 V N 1.101 121.078 119.914 0.106 0.000 2.295 198 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 198 V C 2.767 178.984 176.094 0.205 0.000 1.049 198 V CA 1.942 64.330 62.300 0.147 0.000 1.024 198 V CB -1.623 30.266 31.823 0.110 0.000 0.648 198 V HN 0.684 nan 8.190 nan 0.000 0.447 199 A N -0.501 122.408 122.820 0.149 0.000 1.908 199 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 199 A C 2.339 180.001 177.584 0.129 0.000 1.181 199 A CA 2.300 54.401 52.037 0.108 0.000 0.627 199 A CB -0.502 18.539 19.000 0.068 0.000 0.818 199 A HN 0.517 nan 8.150 nan 0.000 0.445 200 K N -1.793 118.704 120.400 0.161 0.000 2.026 200 K HA -0.195 4.124 4.320 -0.001 0.000 0.208 200 K C 1.975 178.678 176.600 0.171 0.000 1.048 200 K CA 1.821 58.203 56.287 0.158 0.000 0.929 200 K CB -0.404 32.225 32.500 0.215 0.000 0.713 200 K HN 0.591 nan 8.250 nan 0.000 0.439 201 Y N 0.925 121.293 120.300 0.113 0.000 2.128 201 Y HA -0.255 4.295 4.550 -0.001 0.000 0.284 201 Y C 1.751 177.725 175.900 0.123 0.000 1.154 201 Y CA 1.490 59.674 58.100 0.140 0.000 1.149 201 Y CB -0.306 38.255 38.460 0.168 0.000 0.976 201 Y HN -0.182 nan 8.280 nan 0.000 0.505 202 V N -0.535 119.526 119.914 0.246 0.000 2.515 202 V HA -0.254 3.866 4.120 -0.001 0.000 0.250 202 V C 2.293 178.408 176.094 0.035 0.000 1.058 202 V CA 1.988 64.377 62.300 0.149 0.000 1.064 202 V CB -0.705 31.259 31.823 0.235 0.000 0.675 202 V HN 0.431 nan 8.190 nan 0.000 0.461 203 S N -0.611 115.109 115.700 0.033 0.000 2.341 203 S HA -0.037 4.433 4.470 -0.001 0.000 0.216 203 S C 1.962 176.548 174.600 -0.022 0.000 1.034 203 S CA 0.773 58.976 58.200 0.006 0.000 0.964 203 S CB -0.095 63.113 63.200 0.013 0.000 0.882 203 S HN 0.439 nan 8.310 nan 0.000 0.469 204 K N 0.534 120.920 120.400 -0.023 0.000 2.108 204 K HA 0.410 4.730 4.320 -0.001 0.000 0.204 204 K C 1.141 177.700 176.600 -0.068 0.000 1.036 204 K CA 0.860 57.126 56.287 -0.035 0.000 0.965 204 K CB -0.434 32.057 32.500 -0.014 0.000 0.804 204 K HN 0.436 nan 8.250 nan 0.000 0.454 205 G N -0.690 108.054 108.800 -0.093 0.000 2.337 205 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.298 205 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.298 205 G C -0.465 174.419 174.900 -0.026 0.000 1.335 205 G CA -0.258 44.767 45.100 -0.125 0.000 0.875 205 G HN 0.233 nan 8.290 nan 0.000 0.579 206 W N 0.952 122.173 121.300 -0.133 0.000 2.353 206 W HA -0.117 4.542 4.660 -0.001 0.000 0.319 206 W C 2.129 178.687 176.519 0.065 0.000 1.207 206 W CA 1.961 59.341 57.345 0.058 0.000 1.291 206 W CB -0.024 29.489 29.460 0.088 0.000 1.159 206 W HN 0.620 nan 8.180 nan 0.000 0.478 207 K N 0.317 120.476 120.400 -0.403 0.000 2.015 207 K HA -0.292 4.028 4.320 -0.001 0.000 0.216 207 K C 1.737 178.113 176.600 -0.373 0.000 1.052 207 K CA 1.744 57.725 56.287 -0.509 0.000 0.937 207 K CB -1.281 31.095 32.500 -0.206 0.000 0.719 207 K HN 0.220 nan 8.250 nan 0.000 0.446 208 E N 1.208 121.298 120.200 -0.183 0.000 2.208 208 E HA -0.192 4.158 4.350 -0.001 0.000 0.202 208 E C 2.048 178.614 176.600 -0.056 0.000 1.014 208 E CA 1.367 57.712 56.400 -0.092 0.000 0.819 208 E CB 0.010 29.687 29.700 -0.038 0.000 0.735 208 E HN 0.147 nan 8.360 nan 0.000 0.469 209 V N 0.345 120.204 119.914 -0.092 0.000 2.379 209 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 209 V C 2.583 178.650 176.094 -0.045 0.000 1.044 209 V CA 1.895 64.206 62.300 0.018 0.000 1.036 209 V CB -0.490 31.376 31.823 0.072 0.000 0.664 209 V HN 0.245 nan 8.190 nan 0.000 0.453 210 Q N -0.195 119.350 119.800 -0.424 0.000 2.083 210 Q HA -0.240 4.100 4.340 -0.001 0.000 0.198 210 Q C 2.312 178.231 176.000 -0.135 0.000 0.969 210 Q CA 1.733 57.334 55.803 -0.338 0.000 0.838 210 Q CB 0.001 28.363 28.738 -0.626 0.000 0.900 210 Q HN 0.639 nan 8.270 nan 0.000 0.436 211 E N 0.201 120.300 120.200 -0.168 0.000 2.085 211 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 211 E C 1.562 178.133 176.600 -0.049 0.000 0.994 211 E CA 1.612 57.954 56.400 -0.097 0.000 0.801 211 E CB -0.216 29.422 29.700 -0.103 0.000 0.743 211 E HN 0.430 nan 8.360 nan 0.000 0.453 212 A N -0.881 121.931 122.820 -0.013 0.000 1.968 212 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 212 A C 1.157 178.655 177.584 -0.143 0.000 1.169 212 A CA 1.034 53.037 52.037 -0.057 0.000 0.638 212 A CB -0.430 18.556 19.000 -0.022 0.000 0.812 212 A HN 0.378 nan 8.150 nan 0.000 0.446 213 Y N -0.112 120.156 120.300 -0.053 0.000 2.625 213 Y HA 0.231 4.780 4.550 -0.001 0.000 0.285 213 Y C 0.678 176.561 175.900 -0.030 0.000 1.168 213 Y CA -0.811 57.272 58.100 -0.028 0.000 1.250 213 Y CB 0.268 38.721 38.460 -0.010 0.000 1.130 213 Y HN -0.042 nan 8.280 nan 0.000 0.526 214 K N 2.366 122.796 120.400 0.050 0.000 2.178 214 K HA -0.147 4.173 4.320 -0.001 0.000 0.256 214 K C -0.314 176.305 176.600 0.032 0.000 1.258 214 K CA 0.617 56.918 56.287 0.024 0.000 1.273 214 K CB -0.649 31.845 32.500 -0.009 0.000 0.834 214 K HN 0.466 nan 8.250 nan 0.000 0.447 215 E N 1.318 121.552 120.200 0.055 0.000 2.452 215 E HA -0.257 4.092 4.350 -0.001 0.000 0.155 215 E C -0.847 175.779 176.600 0.045 0.000 1.746 215 E CA 1.124 57.555 56.400 0.052 0.000 0.636 215 E CB -0.544 29.176 29.700 0.033 0.000 1.069 215 E HN 0.479 nan 8.360 nan 0.000 0.335 216 K N 0.938 121.380 120.400 0.069 0.000 2.350 216 K HA 0.314 4.633 4.320 -0.001 0.000 0.241 216 K C 0.069 176.711 176.600 0.069 0.000 0.994 216 K CA -1.044 55.272 56.287 0.050 0.000 0.839 216 K CB 1.324 33.841 32.500 0.030 0.000 1.244 216 K HN 0.238 nan 8.250 nan 0.000 0.443 217 E N 2.801 123.031 120.200 0.050 0.000 1.943 217 E HA -0.056 4.293 4.350 -0.001 0.000 0.254 217 E C -0.859 175.785 176.600 0.074 0.000 1.239 217 E CA -0.029 56.402 56.400 0.052 0.000 1.027 217 E CB -0.362 29.360 29.700 0.036 0.000 1.087 217 E HN 0.297 nan 8.360 nan 0.000 0.437 218 L N 4.628 125.903 121.223 0.086 0.000 2.312 218 L HA 0.121 4.461 4.340 -0.001 0.000 0.287 218 L C 0.835 177.743 176.870 0.063 0.000 1.091 218 L CA -0.663 54.234 54.840 0.096 0.000 0.846 218 L CB 0.520 42.639 42.059 0.101 0.000 1.219 218 L HN 0.438 nan 8.230 nan 0.000 0.439 219 S N 3.934 119.668 115.700 0.057 0.000 2.549 219 S HA 0.035 4.504 4.470 -0.001 0.000 0.278 219 S C -1.515 173.105 174.600 0.033 0.000 1.344 219 S CA -0.889 57.335 58.200 0.040 0.000 1.025 219 S CB -0.054 63.167 63.200 0.036 0.000 0.851 219 S HN 0.555 nan 8.310 nan 0.000 0.530 220 P HA 0.081 nan 4.420 nan 0.000 0.279 220 P C -0.101 177.208 177.300 0.015 0.000 1.451 220 P CA 0.557 63.669 63.100 0.020 0.000 0.783 220 P CB -0.199 31.510 31.700 0.014 0.000 1.490 221 E N -1.754 118.456 120.200 0.017 0.000 2.717 221 E HA -0.015 4.335 4.350 -0.001 0.000 0.204 221 E C 1.828 178.432 176.600 0.008 0.000 0.911 221 E CA 0.382 56.787 56.400 0.008 0.000 1.370 221 E CB -0.769 28.934 29.700 0.005 0.000 1.315 221 E HN -0.030 nan 8.360 nan 0.000 0.643 222 T N 0.280 114.843 114.554 0.015 0.000 3.072 222 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 222 T C 1.307 176.006 174.700 -0.002 0.000 1.127 222 T CA 1.148 63.250 62.100 0.003 0.000 1.107 222 T CB -0.058 68.826 68.868 0.026 0.000 0.910 222 T HN 0.085 nan 8.240 nan 0.000 0.513 223 E N 0.118 120.332 120.200 0.023 0.000 2.112 223 E HA -0.006 4.343 4.350 -0.001 0.000 0.190 223 E C 2.365 178.995 176.600 0.051 0.000 0.979 223 E CA 0.695 57.118 56.400 0.038 0.000 0.814 223 E CB 0.123 29.850 29.700 0.045 0.000 0.762 223 E HN 0.472 nan 8.360 nan 0.000 0.460 224 K N 0.478 120.905 120.400 0.046 0.000 2.057 224 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 224 K C 2.161 178.813 176.600 0.087 0.000 1.049 224 K CA 1.149 57.479 56.287 0.071 0.000 0.931 224 K CB -0.070 32.454 32.500 0.040 0.000 0.714 224 K HN -0.001 nan 8.250 nan 0.000 0.440 225 V N 1.653 121.588 119.914 0.034 0.000 2.343 225 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 225 V C 2.205 178.324 176.094 0.041 0.000 1.051 225 V CA 1.350 63.663 62.300 0.021 0.000 1.036 225 V CB -0.425 31.381 31.823 -0.029 0.000 0.654 225 V HN 0.233 nan 8.190 nan 0.000 0.451 226 L N 0.139 121.380 121.223 0.030 0.000 2.017 226 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 226 L C 2.416 179.332 176.870 0.077 0.000 1.073 226 L CA 1.964 56.852 54.840 0.081 0.000 0.745 226 L CB -0.730 41.367 42.059 0.063 0.000 0.894 226 L HN 0.203 nan 8.230 nan 0.000 0.432 227 K N -1.803 118.638 120.400 0.068 0.000 2.057 227 K HA -0.245 4.074 4.320 -0.001 0.000 0.207 227 K C 2.153 178.647 176.600 -0.177 0.000 1.049 227 K CA 1.936 58.237 56.287 0.024 0.000 0.931 227 K CB -0.497 32.099 32.500 0.159 0.000 0.714 227 K HN 0.364 nan 8.250 nan 0.000 0.440 228 Y N 1.798 121.990 120.300 -0.180 0.000 2.114 228 Y HA -0.227 4.322 4.550 -0.001 0.000 0.284 228 Y C 1.887 177.502 175.900 -0.474 0.000 1.143 228 Y CA 1.448 59.356 58.100 -0.321 0.000 1.135 228 Y CB -0.235 38.145 38.460 -0.133 0.000 0.980 228 Y HN -0.073 nan 8.280 nan 0.000 0.499 229 L N 0.257 121.290 121.223 -0.317 0.000 2.042 229 L HA -0.258 4.082 4.340 -0.001 0.000 0.210 229 L C 2.565 178.911 176.870 -0.874 0.000 1.076 229 L CA 1.980 56.494 54.840 -0.543 0.000 0.749 229 L CB -0.694 41.149 42.059 -0.360 0.000 0.893 229 L HN 0.368 nan 8.230 nan 0.000 0.432 230 E N 0.359 120.016 120.200 -0.905 0.000 2.085 230 E HA -0.268 4.082 4.350 -0.001 0.000 0.194 230 E C 2.215 178.327 176.600 -0.814 0.000 0.994 230 E CA 1.320 57.075 56.400 -1.074 0.000 0.801 230 E CB -0.012 29.424 29.700 -0.441 0.000 0.743 230 E HN 0.470 nan 8.360 nan 0.000 0.453 231 A N 0.475 122.786 122.820 -0.848 0.000 1.933 231 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 231 A C 2.431 179.580 177.584 -0.724 0.000 1.175 231 A CA 2.288 53.798 52.037 -0.878 0.000 0.628 231 A CB -1.194 16.867 19.000 -1.564 0.000 0.814 231 A HN 0.541 nan 8.150 nan 0.000 0.444 232 T N -2.500 111.568 114.554 -0.810 0.000 2.915 232 T HA -0.097 4.252 4.350 -0.001 0.000 0.269 232 T C 1.483 175.959 174.700 -0.374 0.000 1.071 232 T CA 1.448 63.194 62.100 -0.590 0.000 1.132 232 T CB -0.205 68.336 68.868 -0.544 0.000 0.878 232 T HN 0.458 nan 8.240 nan 0.000 0.479 233 E N 0.971 120.889 120.200 -0.470 0.000 2.122 233 E HA 0.053 4.402 4.350 -0.001 0.000 0.190 233 E C 2.393 178.833 176.600 -0.267 0.000 0.977 233 E CA 0.618 56.798 56.400 -0.367 0.000 0.820 233 E CB -0.274 29.033 29.700 -0.654 0.000 0.770 233 E HN 0.386 nan 8.360 nan 0.000 0.462 234 R N 1.301 121.613 120.500 -0.313 0.000 2.092 234 R HA -0.048 4.292 4.340 -0.001 0.000 0.231 234 R C 2.151 178.372 176.300 -0.132 0.000 1.119 234 R CA 0.757 56.742 56.100 -0.193 0.000 0.970 234 R CB -0.929 29.249 30.300 -0.203 0.000 0.864 234 R HN 0.044 nan 8.270 nan 0.000 0.440 235 V N 0.699 120.516 119.914 -0.161 0.000 2.626 235 V HA -0.146 3.973 4.120 -0.001 0.000 0.252 235 V C 1.275 177.389 176.094 0.033 0.000 1.067 235 V CA 1.785 64.033 62.300 -0.086 0.000 1.081 235 V CB -0.250 31.502 31.823 -0.117 0.000 0.686 235 V HN 0.355 nan 8.190 nan 0.000 0.468 236 K N -0.930 119.467 120.400 -0.005 0.000 2.444 236 K HA 0.136 4.455 4.320 -0.001 0.000 0.193 236 K C 1.896 178.512 176.600 0.027 0.000 1.024 236 K CA 0.227 56.529 56.287 0.026 0.000 1.077 236 K CB 0.190 32.676 32.500 -0.022 0.000 0.833 236 K HN 0.413 nan 8.250 nan 0.000 0.517 237 R N -0.388 120.122 120.500 0.016 0.000 2.310 237 R HA 0.044 4.383 4.340 -0.001 0.000 0.199 237 R C 0.861 177.175 176.300 0.024 0.000 0.891 237 R CA 0.142 56.252 56.100 0.016 0.000 1.060 237 R CB 0.461 30.762 30.300 0.002 0.000 1.188 237 R HN -0.056 nan 8.270 nan 0.000 0.607 238 T N 1.240 115.800 114.554 0.009 0.000 2.930 238 T HA 0.068 4.418 4.350 -0.001 0.000 0.306 238 T C 0.351 175.053 174.700 0.004 0.000 1.045 238 T CA 0.234 62.331 62.100 -0.005 0.000 1.134 238 T CB 0.644 69.491 68.868 -0.036 0.000 0.961 238 T HN 0.036 nan 8.240 nan 0.000 0.545 239 K N 3.373 123.772 120.400 -0.002 0.000 2.981 239 K HA 0.189 4.508 4.320 -0.001 0.000 0.213 239 K C -0.689 175.891 176.600 -0.033 0.000 1.154 239 K CA -0.417 55.870 56.287 0.001 0.000 1.111 239 K CB 0.383 32.895 32.500 0.020 0.000 0.975 239 K HN 0.483 nan 8.250 nan 0.000 0.462 240 D N 1.326 121.686 120.400 -0.067 0.000 2.471 240 D HA 0.037 4.676 4.640 -0.001 0.000 0.245 240 D C 0.694 176.913 176.300 -0.136 0.000 1.116 240 D CA -0.284 53.669 54.000 -0.078 0.000 0.853 240 D CB 1.401 42.166 40.800 -0.057 0.000 1.123 240 D HN 0.130 nan 8.370 nan 0.000 0.540 241 E N 2.610 122.728 120.200 -0.135 0.000 2.058 241 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 241 E C 1.431 177.904 176.600 -0.212 0.000 0.997 241 E CA 1.109 57.406 56.400 -0.172 0.000 0.801 241 E CB 0.256 29.885 29.700 -0.118 0.000 0.746 241 E HN 0.444 nan 8.360 nan 0.000 0.450 242 L N 1.137 122.228 121.223 -0.221 0.000 2.083 242 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 242 L C 2.453 179.010 176.870 -0.521 0.000 1.083 242 L CA 1.852 56.453 54.840 -0.398 0.000 0.752 242 L CB -0.612 41.248 42.059 -0.333 0.000 0.899 242 L HN 0.238 nan 8.230 nan 0.000 0.433 243 E N 0.280 120.333 120.200 -0.244 0.000 2.077 243 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 243 E C 2.303 178.831 176.600 -0.120 0.000 0.989 243 E CA 1.364 57.700 56.400 -0.107 0.000 0.800 243 E CB -0.120 29.550 29.700 -0.049 0.000 0.746 243 E HN 0.489 nan 8.360 nan 0.000 0.452 244 I N 0.785 121.248 120.570 -0.180 0.000 2.226 244 I HA -0.282 3.887 4.170 -0.001 0.000 0.245 244 I C 2.440 178.468 176.117 -0.148 0.000 1.100 244 I CA 1.020 62.210 61.300 -0.183 0.000 1.374 244 I CB -0.253 37.568 38.000 -0.297 0.000 1.057 244 I HN 0.234 nan 8.210 nan 0.000 0.413 245 I N 0.084 120.536 120.570 -0.196 0.000 2.286 245 I HA -0.326 3.843 4.170 -0.001 0.000 0.248 245 I C 2.391 178.477 176.117 -0.051 0.000 1.115 245 I CA 1.677 62.884 61.300 -0.155 0.000 1.392 245 I CB -0.530 37.343 38.000 -0.212 0.000 1.065 245 I HN 0.300 nan 8.210 nan 0.000 0.418 246 H N -0.024 119.021 119.070 -0.042 0.000 2.428 246 H HA -0.045 4.511 4.556 -0.001 0.000 0.296 246 H C 2.310 177.631 175.328 -0.012 0.000 1.062 246 H CA 0.681 56.711 56.048 -0.030 0.000 1.350 246 H CB 0.211 29.959 29.762 -0.025 0.000 1.403 246 H HN 0.256 nan 8.280 nan 0.000 0.533 247 L N 0.217 121.507 121.223 0.112 0.000 2.044 247 L HA -0.144 4.195 4.340 -0.001 0.000 0.205 247 L C 2.229 179.163 176.870 0.105 0.000 1.075 247 L CA 0.897 55.815 54.840 0.130 0.000 0.747 247 L CB -0.235 41.835 42.059 0.019 0.000 0.903 247 L HN 0.297 nan 8.230 nan 0.000 0.435 248 I N -0.024 120.558 120.570 0.020 0.000 2.163 248 I HA -0.334 3.835 4.170 -0.001 0.000 0.243 248 I C 2.143 178.271 176.117 0.019 0.000 1.085 248 I CA 1.347 62.648 61.300 0.002 0.000 1.347 248 I CB -0.440 37.538 38.000 -0.037 0.000 1.044 248 I HN 0.286 nan 8.210 nan 0.000 0.408 249 D N 0.471 120.883 120.400 0.019 0.000 2.092 249 D HA -0.252 4.387 4.640 -0.001 0.000 0.193 249 D C 2.049 178.325 176.300 -0.041 0.000 0.994 249 D CA 1.520 55.523 54.000 0.004 0.000 0.828 249 D CB -0.245 40.572 40.800 0.030 0.000 0.963 249 D HN 0.444 nan 8.370 nan 0.000 0.450 250 E N -0.913 119.237 120.200 -0.084 0.000 2.076 250 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 250 E C 1.108 177.476 176.600 -0.386 0.000 0.979 250 E CA 0.622 56.857 56.400 -0.275 0.000 0.807 250 E CB 0.016 29.457 29.700 -0.432 0.000 0.761 250 E HN 0.362 nan 8.360 nan 0.000 0.454 251 Y N -0.035 120.248 120.300 -0.028 0.000 2.458 251 Y HA 0.336 4.885 4.550 -0.001 0.000 0.256 251 Y C 0.122 176.049 175.900 0.046 0.000 1.159 251 Y CA -0.200 57.904 58.100 0.007 0.000 1.261 251 Y CB 0.553 38.950 38.460 -0.105 0.000 1.119 251 Y HN -0.099 nan 8.280 nan 0.000 0.524 252 R N 0.443 121.006 120.500 0.105 0.000 3.516 252 R HA -0.203 4.137 4.340 -0.001 0.000 0.271 252 R C -0.625 175.743 176.300 0.113 0.000 1.098 252 R CA 0.272 56.424 56.100 0.087 0.000 0.732 252 R CB -2.476 27.871 30.300 0.079 0.000 1.152 252 R HN 0.384 nan 8.270 nan 0.000 0.455 253 L N 0.570 121.830 121.223 0.062 0.000 2.483 253 L HA 0.173 4.512 4.340 -0.001 0.000 0.275 253 L C 1.448 178.416 176.870 0.163 0.000 1.220 253 L CA -0.045 54.823 54.840 0.047 0.000 0.833 253 L CB 0.342 42.308 42.059 -0.156 0.000 1.102 253 L HN -0.010 nan 8.230 nan 0.000 0.490 254 V N 0.118 120.248 119.914 0.359 0.000 3.234 254 V HA 0.414 4.534 4.120 -0.001 0.000 0.317 254 V C 1.220 177.290 176.094 -0.040 0.000 1.147 254 V CA -0.795 61.549 62.300 0.073 0.000 1.037 254 V CB 1.426 33.244 31.823 -0.008 0.000 1.148 254 V HN 0.774 nan 8.190 nan 0.000 0.455 255 R N -0.240 120.174 120.500 -0.145 0.000 2.113 255 R HA -0.222 4.117 4.340 -0.001 0.000 0.244 255 R C 1.970 178.168 176.300 -0.171 0.000 1.142 255 R CA 2.719 58.687 56.100 -0.219 0.000 0.953 255 R CB -0.296 29.876 30.300 -0.212 0.000 0.860 255 R HN 0.944 nan 8.270 nan 0.000 0.438 256 E N -0.705 119.367 120.200 -0.213 0.000 2.267 256 E HA -0.180 4.170 4.350 -0.001 0.000 0.197 256 E C 1.746 178.203 176.600 -0.238 0.000 0.998 256 E CA 1.165 57.411 56.400 -0.256 0.000 0.830 256 E CB -0.144 29.319 29.700 -0.395 0.000 0.751 256 E HN 0.514 nan 8.360 nan 0.000 0.491 257 H N -0.507 118.499 119.070 -0.106 0.000 2.529 257 H HA 0.091 4.647 4.556 -0.001 0.000 0.277 257 H C 0.612 175.893 175.328 -0.079 0.000 0.999 257 H CA 0.470 56.461 56.048 -0.095 0.000 1.256 257 H CB 0.058 29.753 29.762 -0.112 0.000 1.402 257 H HN 0.137 nan 8.280 nan 0.000 0.566 258 L N 0.952 122.193 121.223 0.030 0.000 2.431 258 L HA 0.248 4.588 4.340 -0.001 0.000 0.260 258 L C 0.404 177.212 176.870 -0.103 0.000 1.098 258 L CA -0.646 54.221 54.840 0.046 0.000 0.800 258 L CB 1.200 43.297 42.059 0.063 0.000 1.210 258 L HN -0.102 nan 8.230 nan 0.000 0.465 259 L N 0.404 121.403 121.223 -0.374 0.000 2.371 259 L HA 0.141 4.480 4.340 -0.001 0.000 0.272 259 L C 1.457 178.128 176.870 -0.332 0.000 1.124 259 L CA -0.178 54.363 54.840 -0.498 0.000 0.816 259 L CB 1.387 42.919 42.059 -0.878 0.000 1.129 259 L HN 0.705 nan 8.230 nan 0.000 0.448 260 T N 2.239 116.691 114.554 -0.170 0.000 2.737 260 T HA -0.245 4.104 4.350 -0.001 0.000 0.269 260 T C 1.705 176.385 174.700 -0.034 0.000 1.040 260 T CA 1.560 63.621 62.100 -0.065 0.000 1.142 260 T CB -0.168 68.682 68.868 -0.030 0.000 0.861 260 T HN 0.561 nan 8.240 nan 0.000 0.456 261 I N 0.279 120.798 120.570 -0.085 0.000 2.567 261 I HA -0.212 3.958 4.170 -0.001 0.000 0.257 261 I C 2.154 178.335 176.117 0.107 0.000 1.184 261 I CA 1.282 62.583 61.300 0.001 0.000 1.451 261 I CB -0.085 37.909 38.000 -0.010 0.000 1.089 261 I HN 0.273 nan 8.210 nan 0.000 0.441 262 H N 0.145 119.212 119.070 -0.006 0.000 2.423 262 H HA -0.039 4.517 4.556 -0.001 0.000 0.297 262 H C 1.725 177.046 175.328 -0.011 0.000 1.075 262 H CA 0.887 56.917 56.048 -0.029 0.000 1.342 262 H CB -0.309 29.405 29.762 -0.079 0.000 1.395 262 H HN 0.225 nan 8.280 nan 0.000 0.530 263 L N 1.045 122.355 121.223 0.145 0.000 2.721 263 L HA -0.083 4.256 4.340 -0.001 0.000 0.241 263 L C 1.472 178.612 176.870 0.450 0.000 1.168 263 L CA 1.126 56.118 54.840 0.254 0.000 0.866 263 L CB -0.655 41.583 42.059 0.298 0.000 0.996 263 L HN 0.211 nan 8.230 nan 0.000 0.451 264 K N -1.688 118.869 120.400 0.262 0.000 2.393 264 K HA 0.105 4.425 4.320 -0.001 0.000 0.193 264 K C 0.897 177.617 176.600 0.200 0.000 1.026 264 K CA -0.001 56.410 56.287 0.207 0.000 1.064 264 K CB 0.356 32.934 32.500 0.130 0.000 0.833 264 K HN 0.104 nan 8.250 nan 0.000 0.521 265 S N 1.706 117.540 115.700 0.222 0.000 2.430 265 S HA 0.106 4.575 4.470 -0.001 0.000 0.289 265 S C 0.967 175.724 174.600 0.262 0.000 1.143 265 S CA -0.623 57.679 58.200 0.169 0.000 1.067 265 S CB 1.086 64.329 63.200 0.073 0.000 0.964 265 S HN 0.222 nan 8.310 nan 0.000 0.485 266 K N 3.738 124.250 120.400 0.186 0.000 2.103 266 K HA -0.122 4.197 4.320 -0.001 0.000 0.207 266 K C 1.264 177.961 176.600 0.162 0.000 1.048 266 K CA 1.453 57.847 56.287 0.177 0.000 0.930 266 K CB -0.079 32.474 32.500 0.088 0.000 0.716 266 K HN 0.621 nan 8.250 nan 0.000 0.444 267 E N 0.881 121.137 120.200 0.093 0.000 2.077 267 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 267 E C 2.100 178.720 176.600 0.033 0.000 0.989 267 E CA 1.094 57.523 56.400 0.048 0.000 0.800 267 E CB -0.194 29.509 29.700 0.004 0.000 0.746 267 E HN 0.450 nan 8.360 nan 0.000 0.452 268 I N -0.640 119.936 120.570 0.011 0.000 2.286 268 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 268 I C 2.149 178.209 176.117 -0.094 0.000 1.115 268 I CA 1.008 62.259 61.300 -0.081 0.000 1.392 268 I CB -0.257 37.654 38.000 -0.149 0.000 1.065 268 I HN 0.156 nan 8.210 nan 0.000 0.418 269 W N 1.455 122.749 121.300 -0.010 0.000 2.388 269 W HA -0.141 4.519 4.660 -0.001 0.000 0.294 269 W C 2.586 179.098 176.519 -0.012 0.000 1.212 269 W CA 1.004 58.344 57.345 -0.009 0.000 1.271 269 W CB -0.159 29.294 29.460 -0.011 0.000 1.126 269 W HN -0.069 nan 8.180 nan 0.000 0.535 270 K N -0.410 120.112 120.400 0.204 0.000 2.063 270 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 270 K C 2.224 178.865 176.600 0.068 0.000 1.048 270 K CA 1.678 58.035 56.287 0.117 0.000 0.928 270 K CB -0.757 31.789 32.500 0.077 0.000 0.713 270 K HN -0.019 nan 8.250 nan 0.000 0.442 271 S N 1.016 116.735 115.700 0.032 0.000 2.383 271 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 271 S C 1.906 176.501 174.600 -0.009 0.000 1.026 271 S CA 0.802 59.002 58.200 0.001 0.000 0.981 271 S CB -0.123 63.059 63.200 -0.030 0.000 0.818 271 S HN 0.182 nan 8.310 nan 0.000 0.472 272 L N 0.802 122.005 121.223 -0.033 0.000 2.093 272 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 272 L C 2.408 179.290 176.870 0.020 0.000 1.085 272 L CA 0.823 55.630 54.840 -0.055 0.000 0.755 272 L CB -0.513 41.425 42.059 -0.202 0.000 0.904 272 L HN 0.356 nan 8.230 nan 0.000 0.435 273 L N -0.162 121.108 121.223 0.079 0.000 2.127 273 L HA -0.253 4.087 4.340 -0.001 0.000 0.211 273 L C 2.485 179.382 176.870 0.045 0.000 1.089 273 L CA 1.634 56.524 54.840 0.084 0.000 0.757 273 L CB -0.506 41.610 42.059 0.096 0.000 0.899 273 L HN 0.172 nan 8.230 nan 0.000 0.434 274 Q N 0.261 120.081 119.800 0.034 0.000 2.096 274 Q HA -0.239 4.101 4.340 -0.001 0.000 0.208 274 Q C 0.894 176.905 176.000 0.018 0.000 0.993 274 Q CA 2.439 58.255 55.803 0.022 0.000 0.862 274 Q CB -0.247 28.500 28.738 0.016 0.000 0.915 274 Q HN 0.694 nan 8.270 nan 0.000 0.416 275 D N -1.577 118.834 120.400 0.018 0.000 2.650 275 D HA 0.181 4.820 4.640 -0.001 0.000 0.265 275 D C -0.641 175.673 176.300 0.023 0.000 1.339 275 D CA -0.108 53.903 54.000 0.019 0.000 0.816 275 D CB 0.188 40.999 40.800 0.019 0.000 1.091 275 D HN 0.152 nan 8.370 nan 0.000 0.483 276 M N 2.540 122.156 119.600 0.027 0.000 2.303 276 M HA 0.170 4.649 4.480 -0.001 0.000 0.350 276 M C -2.171 174.146 176.300 0.029 0.000 1.518 276 M CA -1.133 54.186 55.300 0.031 0.000 1.070 276 M CB 0.620 33.251 32.600 0.052 0.000 1.910 276 M HN -0.130 nan 8.290 nan 0.000 0.458 277 P HA -0.045 nan 4.420 nan 0.000 0.270 277 P C 0.459 177.778 177.300 0.031 0.000 1.223 277 P CA -0.350 62.768 63.100 0.031 0.000 0.785 277 P CB 0.636 32.358 31.700 0.037 0.000 0.923 278 L N 2.290 123.531 121.223 0.030 0.000 1.997 278 L HA -0.210 4.129 4.340 -0.001 0.000 0.216 278 L C 2.538 179.426 176.870 0.030 0.000 1.074 278 L CA 2.411 57.268 54.840 0.028 0.000 0.763 278 L CB -1.741 40.337 42.059 0.032 0.000 0.890 278 L HN 0.432 nan 8.230 nan 0.000 0.434 279 T N -0.866 113.710 114.554 0.037 0.000 2.708 279 T HA -0.188 4.162 4.350 -0.001 0.000 0.266 279 T C 1.882 176.593 174.700 0.018 0.000 1.037 279 T CA 1.322 63.437 62.100 0.025 0.000 1.146 279 T CB -0.440 68.437 68.868 0.016 0.000 0.865 279 T HN 0.480 nan 8.240 nan 0.000 0.435 280 A N 1.328 124.166 122.820 0.030 0.000 1.908 280 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 280 A C 2.236 179.845 177.584 0.041 0.000 1.181 280 A CA 1.492 53.553 52.037 0.040 0.000 0.627 280 A CB -0.881 18.145 19.000 0.042 0.000 0.818 280 A HN 0.417 nan 8.150 nan 0.000 0.445 281 L N -0.339 120.902 121.223 0.029 0.000 1.989 281 L HA -0.148 4.192 4.340 -0.001 0.000 0.211 281 L C 2.310 179.160 176.870 -0.034 0.000 1.071 281 L CA 1.885 56.730 54.840 0.009 0.000 0.749 281 L CB -0.575 41.485 42.059 0.001 0.000 0.890 281 L HN 0.430 nan 8.230 nan 0.000 0.431 282 L N -0.669 120.537 121.223 -0.027 0.000 2.043 282 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 282 L C 2.653 179.489 176.870 -0.056 0.000 1.075 282 L CA 1.604 56.418 54.840 -0.045 0.000 0.752 282 L CB -0.284 41.775 42.059 0.000 0.000 0.891 282 L HN 0.364 nan 8.230 nan 0.000 0.432 283 R N -0.756 119.726 120.500 -0.029 0.000 2.275 283 R HA 0.006 4.345 4.340 -0.001 0.000 0.199 283 R C 0.752 177.021 176.300 -0.052 0.000 0.989 283 R CA 0.340 56.425 56.100 -0.025 0.000 1.016 283 R CB 0.018 30.320 30.300 0.004 0.000 0.918 283 R HN 0.433 nan 8.270 nan 0.000 0.473 284 N N 0.403 119.060 118.700 -0.072 0.000 2.235 284 N HA 0.111 4.850 4.740 -0.001 0.000 0.231 284 N C 1.185 176.537 175.510 -0.265 0.000 1.177 284 N CA 0.021 52.987 53.050 -0.139 0.000 0.874 284 N CB 0.795 39.279 38.487 -0.004 0.000 1.097 284 N HN 0.133 nan 8.380 nan 0.000 0.518 285 L N 0.187 121.243 121.223 -0.278 0.000 2.012 285 L HA -0.100 4.240 4.340 -0.001 0.000 0.210 285 L C 2.537 179.140 176.870 -0.445 0.000 1.073 285 L CA 1.720 56.330 54.840 -0.382 0.000 0.748 285 L CB -0.760 40.946 42.059 -0.589 0.000 0.891 285 L HN 0.189 nan 8.230 nan 0.000 0.431 286 G N 0.318 108.751 108.800 -0.612 0.000 2.459 286 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.217 286 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.217 286 G C 1.595 175.829 174.900 -1.110 0.000 1.183 286 G CA 1.196 45.349 45.100 -1.579 0.000 0.776 286 G HN 0.239 nan 8.290 nan 0.000 0.552 287 K N 0.489 120.461 120.400 -0.713 0.000 2.020 287 K HA -0.041 4.279 4.320 -0.001 0.000 0.212 287 K C 2.500 178.766 176.600 -0.556 0.000 1.050 287 K CA 1.754 57.709 56.287 -0.552 0.000 0.929 287 K CB -0.514 31.620 32.500 -0.610 0.000 0.714 287 K HN 0.341 nan 8.250 nan 0.000 0.443 288 M N 0.077 119.344 119.600 -0.554 0.000 2.374 288 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 288 M C 1.624 177.784 176.300 -0.234 0.000 1.067 288 M CA 1.618 56.679 55.300 -0.398 0.000 1.103 288 M CB -0.202 32.241 32.600 -0.262 0.000 1.402 288 M HN 0.224 nan 8.290 nan 0.000 0.444 289 T N 0.508 114.919 114.554 -0.238 0.000 2.851 289 T HA 0.055 4.404 4.350 -0.001 0.000 0.262 289 T C 1.952 176.635 174.700 -0.028 0.000 1.043 289 T CA 1.254 63.298 62.100 -0.094 0.000 1.140 289 T CB -0.110 68.729 68.868 -0.049 0.000 0.872 289 T HN 0.468 nan 8.240 nan 0.000 0.446 290 A N 1.974 124.765 122.820 -0.048 0.000 1.933 290 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 290 A C 1.835 179.416 177.584 -0.005 0.000 1.175 290 A CA 1.581 53.659 52.037 0.068 0.000 0.628 290 A CB -0.482 18.594 19.000 0.126 0.000 0.814 290 A HN 0.323 nan 8.150 nan 0.000 0.444 291 D N -0.643 119.702 120.400 -0.091 0.000 2.349 291 D HA 0.164 4.804 4.640 -0.001 0.000 0.224 291 D C 0.514 176.793 176.300 -0.036 0.000 1.029 291 D CA 0.973 54.926 54.000 -0.078 0.000 0.879 291 D CB 0.108 40.811 40.800 -0.162 0.000 0.906 291 D HN 0.264 nan 8.370 nan 0.000 0.528 292 S N -1.507 114.175 115.700 -0.029 0.000 3.450 292 S HA -0.191 4.279 4.470 -0.001 0.000 0.288 292 S C 1.394 175.993 174.600 -0.002 0.000 1.256 292 S CA 0.655 58.852 58.200 -0.004 0.000 0.910 292 S CB -1.938 61.268 63.200 0.010 0.000 1.090 292 S HN 0.369 nan 8.310 nan 0.000 0.630 293 V N -2.347 117.556 119.914 -0.018 0.000 3.129 293 V HA 0.336 4.456 4.120 -0.001 0.000 0.259 293 V C 0.686 176.782 176.094 0.003 0.000 1.116 293 V CA 1.018 63.325 62.300 0.011 0.000 1.127 293 V CB -0.048 31.800 31.823 0.041 0.000 0.742 293 V HN 0.342 nan 8.190 nan 0.000 0.474 294 L N 2.424 123.637 121.223 -0.017 0.000 2.709 294 L HA 0.750 5.090 4.340 -0.001 0.000 0.236 294 L C 0.632 177.509 176.870 0.010 0.000 1.266 294 L CA -0.365 54.468 54.840 -0.011 0.000 0.987 294 L CB -0.005 42.031 42.059 -0.038 0.000 1.306 294 L HN 0.358 nan 8.230 nan 0.000 0.467 295 A N 2.306 125.136 122.820 0.016 0.000 2.388 295 A HA 0.668 4.987 4.320 -0.001 0.000 0.257 295 A C -2.236 175.365 177.584 0.028 0.000 1.095 295 A CA -1.121 50.930 52.037 0.023 0.000 0.791 295 A CB -0.219 18.793 19.000 0.020 0.000 1.029 295 A HN 0.351 nan 8.150 nan 0.000 0.489 296 P HA 0.164 nan 4.420 nan 0.000 0.263 296 P C 0.687 178.003 177.300 0.027 0.000 1.175 296 P CA 1.877 64.997 63.100 0.035 0.000 0.761 296 P CB 0.606 32.326 31.700 0.033 0.000 0.794 297 A N 1.677 124.513 122.820 0.027 0.000 3.132 297 A HA -0.228 4.092 4.320 -0.001 0.000 0.266 297 A C 0.913 178.509 177.584 0.019 0.000 1.216 297 A CA 1.449 53.499 52.037 0.022 0.000 0.985 297 A CB -2.735 16.277 19.000 0.019 0.000 1.102 297 A HN 0.661 nan 8.150 nan 0.000 0.833 298 S N -0.181 115.530 115.700 0.019 0.000 2.614 298 S HA 0.544 5.014 4.470 -0.001 0.000 0.265 298 S C 1.356 175.964 174.600 0.014 0.000 1.303 298 S CA 0.427 58.637 58.200 0.016 0.000 1.000 298 S CB 1.378 64.588 63.200 0.016 0.000 0.935 298 S HN 1.747 nan 8.310 nan 0.000 0.551 299 S N 0.025 115.733 115.700 0.013 0.000 2.461 299 S HA -0.016 4.454 4.470 -0.001 0.000 0.228 299 S C 1.304 175.911 174.600 0.011 0.000 1.005 299 S CA 0.585 58.791 58.200 0.011 0.000 0.942 299 S CB -0.609 62.597 63.200 0.011 0.000 0.776 299 S HN 0.754 nan 8.310 nan 0.000 0.514 300 E N 1.449 121.656 120.200 0.011 0.000 2.072 300 E HA -0.005 4.345 4.350 -0.001 0.000 0.191 300 E C 2.062 178.664 176.600 0.004 0.000 0.985 300 E CA 1.030 57.436 56.400 0.010 0.000 0.801 300 E CB -0.504 29.204 29.700 0.014 0.000 0.750 300 E HN 0.368 nan 8.360 nan 0.000 0.452 301 V N 0.326 120.243 119.914 0.004 0.000 2.343 301 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 301 V C 2.144 178.239 176.094 0.001 0.000 1.051 301 V CA 1.942 64.242 62.300 -0.000 0.000 1.036 301 V CB -0.472 31.358 31.823 0.011 0.000 0.654 301 V HN 0.233 nan 8.190 nan 0.000 0.451 302 S N -0.523 115.181 115.700 0.007 0.000 2.368 302 S HA -0.213 4.256 4.470 -0.001 0.000 0.225 302 S C 2.248 176.851 174.600 0.005 0.000 1.030 302 S CA 1.747 59.952 58.200 0.008 0.000 0.999 302 S CB -0.364 62.842 63.200 0.010 0.000 0.844 302 S HN 0.617 nan 8.310 nan 0.000 0.459 303 S N 0.890 116.592 115.700 0.004 0.000 2.356 303 S HA -0.095 4.374 4.470 -0.001 0.000 0.223 303 S C 1.932 176.531 174.600 -0.001 0.000 1.032 303 S CA 1.361 59.563 58.200 0.003 0.000 1.005 303 S CB -0.438 62.766 63.200 0.005 0.000 0.867 303 S HN 0.295 nan 8.310 nan 0.000 0.449 304 V N 1.075 120.984 119.914 -0.008 0.000 2.332 304 V HA -0.222 3.898 4.120 -0.001 0.000 0.248 304 V C 2.644 178.726 176.094 -0.021 0.000 1.055 304 V CA 1.944 64.232 62.300 -0.020 0.000 1.038 304 V CB -0.969 30.830 31.823 -0.040 0.000 0.651 304 V HN 0.684 nan 8.190 nan 0.000 0.450 305 C N -0.329 118.963 119.300 -0.014 0.000 2.435 305 C HA -0.113 4.347 4.460 -0.001 0.000 0.279 305 C C 2.750 177.743 174.990 0.004 0.000 1.321 305 C CA 1.050 60.064 59.018 -0.006 0.000 1.752 305 C CB -0.853 26.890 27.740 0.005 0.000 1.959 305 C HN 0.664 nan 8.230 nan 0.000 0.500 306 E N 1.282 121.485 120.200 0.005 0.000 2.072 306 E HA -0.144 4.206 4.350 -0.001 0.000 0.190 306 E C 2.267 178.871 176.600 0.007 0.000 0.982 306 E CA 1.102 57.507 56.400 0.008 0.000 0.803 306 E CB -0.225 29.480 29.700 0.007 0.000 0.755 306 E HN 0.597 nan 8.360 nan 0.000 0.453 307 R N 0.145 120.647 120.500 0.003 0.000 2.073 307 R HA -0.021 4.318 4.340 -0.001 0.000 0.234 307 R C 2.721 179.024 176.300 0.005 0.000 1.134 307 R CA 1.246 57.349 56.100 0.004 0.000 0.952 307 R CB -0.354 29.947 30.300 0.002 0.000 0.850 307 R HN 0.226 nan 8.270 nan 0.000 0.433 308 L N 0.548 121.771 121.223 0.000 0.000 2.265 308 L HA -0.094 4.245 4.340 -0.001 0.000 0.215 308 L C 1.824 178.705 176.870 0.018 0.000 1.117 308 L CA 1.321 56.163 54.840 0.004 0.000 0.782 308 L CB -0.445 41.608 42.059 -0.011 0.000 0.914 308 L HN 0.363 nan 8.230 nan 0.000 0.441 309 T N -5.269 109.297 114.554 0.020 0.000 3.134 309 T HA 0.047 4.397 4.350 -0.001 0.000 0.260 309 T C 0.481 175.197 174.700 0.025 0.000 1.027 309 T CA -0.423 61.696 62.100 0.031 0.000 0.913 309 T CB -0.622 68.268 68.868 0.037 0.000 1.046 309 T HN 0.179 nan 8.240 nan 0.000 0.553 310 N N 1.718 120.428 118.700 0.017 0.000 2.521 310 N HA 0.144 4.883 4.740 -0.001 0.000 0.236 310 N C 1.252 176.768 175.510 0.010 0.000 1.067 310 N CA -0.287 52.770 53.050 0.013 0.000 0.939 310 N CB 0.749 39.242 38.487 0.009 0.000 1.201 310 N HN 0.434 nan 8.380 nan 0.000 0.511 311 E N 3.448 123.655 120.200 0.011 0.000 2.086 311 E HA -0.354 3.996 4.350 -0.001 0.000 0.200 311 E C 1.620 178.219 176.600 -0.003 0.000 1.012 311 E CA 1.454 57.857 56.400 0.005 0.000 0.812 311 E CB 0.124 29.830 29.700 0.009 0.000 0.743 311 E HN 0.592 nan 8.360 nan 0.000 0.453 312 K N 0.212 120.612 120.400 -0.001 0.000 2.044 312 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 312 K C 2.248 178.846 176.600 -0.003 0.000 1.049 312 K CA 1.833 58.118 56.287 -0.004 0.000 0.927 312 K CB -0.173 32.325 32.500 -0.002 0.000 0.713 312 K HN 0.248 nan 8.250 nan 0.000 0.443 313 L N 0.790 122.013 121.223 0.001 0.000 2.156 313 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 313 L C 2.453 179.326 176.870 0.005 0.000 1.095 313 L CA 0.622 55.464 54.840 0.004 0.000 0.770 313 L CB -0.423 41.639 42.059 0.006 0.000 0.914 313 L HN 0.245 nan 8.230 nan 0.000 0.439 314 L N -0.131 121.093 121.223 0.002 0.000 2.042 314 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 314 L C 2.824 179.688 176.870 -0.009 0.000 1.076 314 L CA 1.264 56.104 54.840 -0.001 0.000 0.749 314 L CB -0.453 41.599 42.059 -0.013 0.000 0.893 314 L HN 0.248 nan 8.230 nan 0.000 0.432 315 K N 0.079 120.468 120.400 -0.019 0.000 2.025 315 K HA -0.172 4.147 4.320 -0.001 0.000 0.207 315 K C 2.085 178.679 176.600 -0.010 0.000 1.049 315 K CA 1.123 57.394 56.287 -0.026 0.000 0.933 315 K CB -0.271 32.211 32.500 -0.030 0.000 0.714 315 K HN 0.051 nan 8.250 nan 0.000 0.438 316 K N 1.084 121.482 120.400 -0.003 0.000 2.063 316 K HA -0.082 4.237 4.320 -0.001 0.000 0.208 316 K C 1.662 178.271 176.600 0.015 0.000 1.048 316 K CA 1.510 57.799 56.287 0.003 0.000 0.928 316 K CB -0.244 32.258 32.500 0.002 0.000 0.713 316 K HN 0.167 nan 8.250 nan 0.000 0.442 317 A N 0.076 122.910 122.820 0.023 0.000 2.251 317 A HA 0.119 4.438 4.320 -0.001 0.000 0.209 317 A C -0.287 177.334 177.584 0.062 0.000 1.187 317 A CA 0.222 52.284 52.037 0.041 0.000 0.823 317 A CB -0.295 18.731 19.000 0.043 0.000 0.846 317 A HN 0.396 nan 8.150 nan 0.000 0.486 318 R N -0.655 119.873 120.500 0.048 0.000 3.267 318 R HA -0.125 4.215 4.340 -0.001 0.000 0.254 318 R C -0.830 175.541 176.300 0.118 0.000 0.993 318 R CA 0.490 56.627 56.100 0.063 0.000 0.670 318 R CB -1.924 28.425 30.300 0.083 0.000 1.125 318 R HN 0.368 nan 8.270 nan 0.000 0.434 319 I N 1.261 121.882 120.570 0.085 0.000 2.352 319 I HA 0.074 4.243 4.170 -0.001 0.000 0.290 319 I C 1.005 177.130 176.117 0.013 0.000 1.036 319 I CA -0.154 61.236 61.300 0.150 0.000 1.336 319 I CB 0.656 38.710 38.000 0.090 0.000 1.407 319 I HN 0.163 nan 8.210 nan 0.000 0.497 320 H N 9.139 128.096 119.070 -0.189 0.000 2.502 320 H HA 0.273 4.828 4.556 -0.001 0.000 0.327 320 H C -1.490 173.598 175.328 -0.400 0.000 1.099 320 H CA -1.161 54.598 56.048 -0.480 0.000 1.323 320 H CB 1.606 30.884 29.762 -0.806 0.000 1.450 320 H HN 0.306 nan 8.280 nan 0.000 0.502 321 P HA -0.256 nan 4.420 nan 0.000 0.217 321 P C 1.270 178.745 177.300 0.291 0.000 1.148 321 P CA 1.291 64.073 63.100 -0.531 0.000 0.834 321 P CB 0.000 30.708 31.700 -1.653 0.000 0.783 322 F N 0.405 120.598 119.950 0.404 0.000 2.259 322 F HA -0.164 4.362 4.527 -0.001 0.000 0.298 322 F C 2.463 178.373 175.800 0.184 0.000 1.088 322 F CA 1.375 59.529 58.000 0.256 0.000 1.358 322 F CB -0.406 38.635 39.000 0.068 0.000 1.040 322 F HN -0.073 nan 8.300 nan 0.000 0.505 323 H N 0.248 119.482 119.070 0.274 0.000 2.353 323 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 323 H C 2.490 177.837 175.328 0.031 0.000 1.090 323 H CA 1.885 58.005 56.048 0.120 0.000 1.327 323 H CB -0.899 28.945 29.762 0.137 0.000 1.383 323 H HN 0.328 nan 8.280 nan 0.000 0.508 324 I N 0.290 120.975 120.570 0.191 0.000 2.226 324 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 324 I C 2.688 178.863 176.117 0.097 0.000 1.100 324 I CA 0.732 62.117 61.300 0.143 0.000 1.374 324 I CB -0.200 37.903 38.000 0.172 0.000 1.057 324 I HN 0.130 nan 8.210 nan 0.000 0.413 325 L N 0.371 121.651 121.223 0.095 0.000 2.012 325 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 325 L C 2.617 179.385 176.870 -0.170 0.000 1.073 325 L CA 1.572 56.371 54.840 -0.067 0.000 0.748 325 L CB -0.160 41.826 42.059 -0.122 0.000 0.891 325 L HN 0.072 nan 8.230 nan 0.000 0.431 326 V N -0.103 119.637 119.914 -0.291 0.000 2.343 326 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 326 V C 2.737 178.796 176.094 -0.059 0.000 1.051 326 V CA 1.648 63.813 62.300 -0.226 0.000 1.036 326 V CB -0.903 30.767 31.823 -0.256 0.000 0.654 326 V HN 0.553 nan 8.190 nan 0.000 0.451 327 A N -0.006 122.805 122.820 -0.014 0.000 1.877 327 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 327 A C 2.167 179.788 177.584 0.062 0.000 1.186 327 A CA 2.181 54.234 52.037 0.026 0.000 0.620 327 A CB -0.619 18.392 19.000 0.018 0.000 0.822 327 A HN 0.453 nan 8.150 nan 0.000 0.443 328 L N -0.061 121.190 121.223 0.046 0.000 1.956 328 L HA -0.197 4.143 4.340 -0.001 0.000 0.216 328 L C 2.251 179.183 176.870 0.103 0.000 1.073 328 L CA 2.663 57.554 54.840 0.086 0.000 0.762 328 L CB -0.832 41.253 42.059 0.043 0.000 0.889 328 L HN 0.372 nan 8.230 nan 0.000 0.433 329 E N -0.426 119.796 120.200 0.037 0.000 2.097 329 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 329 E C 2.127 178.754 176.600 0.045 0.000 1.000 329 E CA 1.885 58.299 56.400 0.022 0.000 0.804 329 E CB -0.833 28.855 29.700 -0.020 0.000 0.740 329 E HN 0.607 nan 8.360 nan 0.000 0.454 330 T N 0.880 115.481 114.554 0.079 0.000 2.622 330 T HA -0.212 4.137 4.350 -0.001 0.000 0.266 330 T C 1.736 176.602 174.700 0.276 0.000 1.047 330 T CA 1.647 63.829 62.100 0.137 0.000 1.159 330 T CB -0.660 68.291 68.868 0.138 0.000 0.863 330 T HN 0.205 nan 8.240 nan 0.000 0.422 331 Y N 2.085 122.484 120.300 0.165 0.000 2.114 331 Y HA -0.157 4.393 4.550 -0.001 0.000 0.282 331 Y C 2.384 178.471 175.900 0.311 0.000 1.165 331 Y CA 1.408 59.678 58.100 0.284 0.000 1.148 331 Y CB -0.234 38.277 38.460 0.085 0.000 0.972 331 Y HN -0.074 nan 8.280 nan 0.000 0.504 332 K N 0.898 121.340 120.400 0.070 0.000 2.280 332 K HA -0.207 4.112 4.320 -0.001 0.000 0.202 332 K C 2.102 178.561 176.600 -0.235 0.000 1.047 332 K CA 1.207 57.413 56.287 -0.135 0.000 0.942 332 K CB -0.309 32.124 32.500 -0.113 0.000 0.739 332 K HN 0.407 nan 8.250 nan 0.000 0.457 333 K N -0.481 119.783 120.400 -0.226 0.000 2.063 333 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 333 K C 1.102 177.235 176.600 -0.780 0.000 1.048 333 K CA 1.855 57.868 56.287 -0.457 0.000 0.928 333 K CB -0.110 32.117 32.500 -0.454 0.000 0.713 333 K HN 0.302 nan 8.250 nan 0.000 0.442 334 G N 0.356 108.558 108.800 -0.998 0.000 2.176 334 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.253 334 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.253 334 G C -0.261 173.474 174.900 -1.943 0.000 0.979 334 G CA 0.822 44.981 45.100 -1.568 0.000 0.641 334 G HN 0.771 nan 8.290 nan 0.000 0.530 335 H N -2.448 115.694 119.070 -1.546 0.000 3.068 335 H HA 0.626 5.182 4.556 -0.001 0.000 0.342 335 H C -0.034 175.066 175.328 -0.381 0.000 1.284 335 H CA -0.659 54.815 56.048 -0.957 0.000 1.181 335 H CB 0.836 30.315 29.762 -0.471 0.000 1.898 335 H HN 0.783 nan 8.280 nan 0.000 0.540 336 G N 2.103 111.026 108.800 0.206 0.000 2.320 336 G HA2 0.246 4.206 3.960 -0.001 0.000 0.300 336 G HA3 0.246 4.206 3.960 -0.001 0.000 0.300 336 G C -0.318 174.707 174.900 0.209 0.000 1.126 336 G CA -0.824 44.451 45.100 0.291 0.000 0.896 336 G HN 0.719 nan 8.290 nan 0.000 0.436 341 L N 3.399 124.669 121.223 0.078 0.000 2.462 341 L HA 0.202 4.542 4.340 -0.001 0.000 0.272 341 L C -0.274 176.687 176.870 0.152 0.000 1.166 341 L CA 0.750 55.676 54.840 0.144 0.000 0.880 341 L CB 0.168 42.355 42.059 0.214 0.000 1.142 341 L HN 0.066 nan 8.230 nan 0.000 0.473 342 R N 3.849 124.429 120.500 0.134 0.000 2.795 342 R HA 0.692 5.031 4.340 -0.001 0.000 0.275 342 R C -1.744 174.643 176.300 0.144 0.000 0.981 342 R CA -0.604 55.492 56.100 -0.007 0.000 0.917 342 R CB 1.969 32.231 30.300 -0.064 0.000 1.202 342 R HN 0.807 nan 8.270 nan 0.000 0.469 343 W N 1.291 122.557 121.300 -0.058 0.000 3.066 343 W HA 0.555 5.214 4.660 -0.001 0.000 0.330 343 W C -1.887 174.549 176.519 -0.139 0.000 1.253 343 W CA -0.949 56.342 57.345 -0.091 0.000 1.187 343 W CB 0.519 29.920 29.460 -0.098 0.000 1.434 343 W HN 0.293 nan 8.180 nan 0.000 0.572 344 I N 4.314 124.943 120.570 0.098 0.000 2.328 344 I HA 0.243 4.413 4.170 -0.001 0.000 0.287 344 I C -1.609 174.532 176.117 0.041 0.000 1.012 344 I CA -2.078 59.208 61.300 -0.023 0.000 1.195 344 I CB 1.255 39.252 38.000 -0.006 0.000 1.350 344 I HN 0.067 nan 8.210 nan 0.000 0.464 345 P HA -0.096 nan 4.420 nan 0.000 0.262 345 P C -0.673 176.639 177.300 0.020 0.000 1.182 345 P CA 0.115 63.054 63.100 -0.270 0.000 0.761 345 P CB 0.800 32.265 31.700 -0.392 0.000 0.795 346 D N 2.636 123.182 120.400 0.243 0.000 2.317 346 D HA 0.038 4.678 4.640 -0.001 0.000 0.252 346 D C 1.045 177.449 176.300 0.174 0.000 1.174 346 D CA -0.066 54.052 54.000 0.197 0.000 0.866 346 D CB 0.795 41.716 40.800 0.202 0.000 1.127 346 D HN 0.199 nan 8.370 nan 0.000 0.467 347 T N 2.433 117.044 114.554 0.095 0.000 2.685 347 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 347 T C 1.884 176.635 174.700 0.085 0.000 1.034 347 T CA 1.688 63.834 62.100 0.076 0.000 1.149 347 T CB 0.031 68.931 68.868 0.053 0.000 0.860 347 T HN 0.390 nan 8.240 nan 0.000 0.449 348 S N 0.679 116.424 115.700 0.075 0.000 2.382 348 S HA -0.012 4.457 4.470 -0.001 0.000 0.228 348 S C 2.008 176.641 174.600 0.055 0.000 1.027 348 S CA 0.667 58.903 58.200 0.059 0.000 0.991 348 S CB -0.261 62.965 63.200 0.044 0.000 0.823 348 S HN 0.344 nan 8.310 nan 0.000 0.469 349 I N 1.251 121.860 120.570 0.064 0.000 2.202 349 I HA -0.062 4.107 4.170 -0.001 0.000 0.242 349 I C 2.286 178.425 176.117 0.037 0.000 1.091 349 I CA 0.945 62.246 61.300 0.002 0.000 1.368 349 I CB -1.499 36.444 38.000 -0.095 0.000 1.058 349 I HN 0.146 nan 8.210 nan 0.000 0.410 350 V N 0.972 120.969 119.914 0.138 0.000 2.469 350 V HA -0.257 3.862 4.120 -0.001 0.000 0.251 350 V C 2.575 178.743 176.094 0.123 0.000 1.064 350 V CA 1.886 64.275 62.300 0.148 0.000 1.066 350 V CB -0.638 31.258 31.823 0.122 0.000 0.667 350 V HN 0.350 nan 8.190 nan 0.000 0.461 351 E N 0.381 120.645 120.200 0.106 0.000 2.107 351 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 351 E C 2.150 178.806 176.600 0.094 0.000 0.982 351 E CA 1.300 57.763 56.400 0.104 0.000 0.809 351 E CB -0.368 29.383 29.700 0.085 0.000 0.756 351 E HN 0.522 nan 8.360 nan 0.000 0.459 352 A N 0.300 123.161 122.820 0.067 0.000 1.930 352 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 352 A C 2.205 179.829 177.584 0.066 0.000 1.175 352 A CA 1.061 53.131 52.037 0.055 0.000 0.627 352 A CB -0.615 18.398 19.000 0.023 0.000 0.815 352 A HN 0.315 nan 8.150 nan 0.000 0.443 353 L N -0.784 120.472 121.223 0.056 0.000 2.046 353 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 353 L C 2.356 179.295 176.870 0.115 0.000 1.077 353 L CA 1.812 56.691 54.840 0.065 0.000 0.747 353 L CB -0.560 41.523 42.059 0.041 0.000 0.896 353 L HN 0.407 nan 8.230 nan 0.000 0.432 354 D N -0.050 120.425 120.400 0.125 0.000 2.123 354 D HA -0.229 4.410 4.640 -0.001 0.000 0.196 354 D C 1.924 178.376 176.300 0.253 0.000 0.992 354 D CA 1.355 55.447 54.000 0.152 0.000 0.833 354 D CB 0.075 40.973 40.800 0.165 0.000 0.954 354 D HN 0.163 nan 8.370 nan 0.000 0.455 355 N N -0.732 118.101 118.700 0.221 0.000 2.142 355 N HA -0.077 4.662 4.740 -0.001 0.000 0.186 355 N C 1.563 177.211 175.510 0.230 0.000 1.023 355 N CA 1.454 54.650 53.050 0.244 0.000 0.852 355 N CB -0.191 38.384 38.487 0.147 0.000 0.998 355 N HN 0.175 nan 8.380 nan 0.000 0.424 356 A N -0.314 122.600 122.820 0.156 0.000 1.972 356 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 356 A C 2.044 179.687 177.584 0.099 0.000 1.169 356 A CA 0.986 53.087 52.037 0.107 0.000 0.635 356 A CB -1.103 17.939 19.000 0.070 0.000 0.810 356 A HN 0.495 nan 8.150 nan 0.000 0.446 357 F N -0.085 119.844 119.950 -0.036 0.000 2.043 357 F HA -0.293 4.234 4.527 -0.001 0.000 0.297 357 F C 2.119 177.878 175.800 -0.070 0.000 1.118 357 F CA 2.210 60.130 58.000 -0.133 0.000 1.202 357 F CB -0.612 38.211 39.000 -0.295 0.000 0.965 357 F HN 0.329 nan 8.300 nan 0.000 0.482 358 Y N 0.509 120.937 120.300 0.213 0.000 2.200 358 Y HA -0.141 4.408 4.550 -0.001 0.000 0.290 358 Y C 2.396 178.329 175.900 0.055 0.000 1.137 358 Y CA 1.683 59.858 58.100 0.125 0.000 1.163 358 Y CB -0.864 37.682 38.460 0.143 0.000 0.988 358 Y HN 0.032 nan 8.280 nan 0.000 0.518 359 K N 0.025 120.527 120.400 0.171 0.000 2.280 359 K HA -0.118 4.202 4.320 -0.001 0.000 0.202 359 K C 2.051 178.640 176.600 -0.018 0.000 1.047 359 K CA 1.390 57.721 56.287 0.074 0.000 0.942 359 K CB -0.288 32.250 32.500 0.063 0.000 0.739 359 K HN 0.372 nan 8.250 nan 0.000 0.457 360 S N 0.110 115.736 115.700 -0.123 0.000 2.522 360 S HA 0.005 4.475 4.470 -0.001 0.000 0.227 360 S C 0.571 174.943 174.600 -0.380 0.000 0.986 360 S CA -0.027 58.012 58.200 -0.267 0.000 0.929 360 S CB -0.255 62.716 63.200 -0.382 0.000 0.769 360 S HN 0.013 nan 8.310 nan 0.000 0.529 361 F N 1.816 121.576 119.950 -0.317 0.000 2.370 361 F HA 0.525 5.051 4.527 -0.001 0.000 0.324 361 F C 0.704 176.388 175.800 -0.193 0.000 1.116 361 F CA -1.067 56.745 58.000 -0.313 0.000 1.123 361 F CB 0.701 39.503 39.000 -0.331 0.000 1.238 361 F HN -0.201 nan 8.300 nan 0.000 0.536 362 K N 2.782 123.209 120.400 0.045 0.000 2.338 362 K HA 0.268 4.588 4.320 -0.001 0.000 0.290 362 K C -0.696 175.913 176.600 0.014 0.000 1.069 362 K CA 0.228 56.514 56.287 -0.001 0.000 0.941 362 K CB -0.128 32.355 32.500 -0.028 0.000 1.023 362 K HN 0.404 nan 8.250 nan 0.000 0.477 363 L N 2.960 124.187 121.223 0.006 0.000 2.421 363 L HA 0.543 4.883 4.340 -0.001 0.000 0.263 363 L C 0.290 177.150 176.870 -0.016 0.000 1.122 363 L CA -0.893 53.942 54.840 -0.008 0.000 0.804 363 L CB 0.815 42.872 42.059 -0.002 0.000 1.150 363 L HN 0.361 nan 8.230 nan 0.000 0.457 364 V N -2.415 117.484 119.914 -0.025 0.000 3.182 364 V HA 0.535 4.655 4.120 -0.001 0.000 0.308 364 V C -0.801 175.280 176.094 -0.021 0.000 1.240 364 V CA -1.046 61.244 62.300 -0.017 0.000 1.063 364 V CB 2.065 33.882 31.823 -0.011 0.000 1.076 364 V HN 0.601 nan 8.190 nan 0.000 0.446 365 E N 2.823 123.017 120.200 -0.010 0.000 2.313 365 E HA 0.413 4.762 4.350 -0.001 0.000 0.276 365 E C -2.510 174.087 176.600 -0.005 0.000 1.031 365 E CA -1.770 54.624 56.400 -0.009 0.000 0.857 365 E CB 1.303 31.002 29.700 -0.001 0.000 1.040 365 E HN 0.693 nan 8.360 nan 0.000 0.408 366 P HA -0.043 nan 4.420 nan 0.000 0.267 366 P C 0.670 177.994 177.300 0.039 0.000 1.200 366 P CA 0.200 63.297 63.100 -0.005 0.000 0.772 366 P CB 0.582 32.271 31.700 -0.018 0.000 0.855 367 T N -2.242 112.367 114.554 0.092 0.000 3.067 367 T HA 0.188 4.537 4.350 -0.001 0.000 0.257 367 T C 1.462 176.232 174.700 0.116 0.000 1.105 367 T CA 0.810 62.981 62.100 0.119 0.000 1.104 367 T CB -0.832 68.151 68.868 0.192 0.000 0.925 367 T HN 0.671 nan 8.240 nan 0.000 0.498 368 G N 1.668 110.552 108.800 0.139 0.000 2.179 368 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.260 368 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.260 368 G C 0.226 175.210 174.900 0.141 0.000 0.977 368 G CA 0.321 45.489 45.100 0.113 0.000 0.641 368 G HN 0.630 nan 8.290 nan 0.000 0.533 369 K N 0.062 120.583 120.400 0.202 0.000 2.132 369 K HA 0.371 4.690 4.320 -0.001 0.000 0.240 369 K C 0.635 177.292 176.600 0.095 0.000 1.036 369 K CA -0.417 55.907 56.287 0.061 0.000 0.888 369 K CB 0.515 32.934 32.500 -0.137 0.000 1.071 369 K HN 0.262 nan 8.250 nan 0.000 0.502 370 R N 1.190 121.633 120.500 -0.095 0.000 2.196 370 R HA 0.227 4.567 4.340 -0.001 0.000 0.340 370 R C -0.745 175.429 176.300 -0.209 0.000 1.043 370 R CA -0.222 55.855 56.100 -0.039 0.000 0.883 370 R CB 0.123 30.391 30.300 -0.052 0.000 1.078 370 R HN 0.265 nan 8.270 nan 0.000 0.462 371 F N 2.920 122.856 119.950 -0.023 0.000 2.436 371 F HA 0.317 4.843 4.527 -0.001 0.000 0.340 371 F C 0.167 175.948 175.800 -0.031 0.000 1.113 371 F CA -0.987 56.992 58.000 -0.035 0.000 1.022 371 F CB 1.306 40.321 39.000 0.024 0.000 1.128 371 F HN 0.185 nan 8.300 nan 0.000 0.466 372 L N 6.022 127.255 121.223 0.017 0.000 2.318 372 L HA 0.509 4.848 4.340 -0.001 0.000 0.277 372 L C -1.401 175.555 176.870 0.144 0.000 1.008 372 L CA -0.448 54.399 54.840 0.010 0.000 0.846 372 L CB 0.863 42.786 42.059 -0.227 0.000 1.220 372 L HN 0.566 nan 8.230 nan 0.000 0.423 373 L N 5.314 126.661 121.223 0.206 0.000 2.265 373 L HA 0.598 4.937 4.340 -0.001 0.000 0.289 373 L C 0.282 177.323 176.870 0.285 0.000 1.033 373 L CA -0.376 54.658 54.840 0.323 0.000 0.814 373 L CB 1.448 43.702 42.059 0.325 0.000 1.203 373 L HN 0.680 nan 8.230 nan 0.000 0.423 374 A N 5.621 128.676 122.820 0.392 0.000 2.287 374 A HA 0.767 5.086 4.320 -0.001 0.000 0.317 374 A C -0.507 177.407 177.584 0.550 0.000 1.220 374 A CA -0.439 51.838 52.037 0.400 0.000 0.835 374 A CB 0.636 19.845 19.000 0.349 0.000 1.180 374 A HN 0.693 nan 8.150 nan 0.000 0.500 375 I N 2.264 123.033 120.570 0.333 0.000 2.336 375 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 375 I C -0.368 175.624 176.117 -0.210 0.000 0.991 375 I CA -0.630 60.760 61.300 0.150 0.000 1.227 375 I CB 1.617 39.613 38.000 -0.005 0.000 1.366 375 I HN 0.619 nan 8.210 nan 0.000 0.466 376 D N 6.549 126.727 120.400 -0.370 0.000 2.343 376 D HA 0.129 4.768 4.640 -0.001 0.000 0.255 376 D C 0.343 176.361 176.300 -0.471 0.000 1.187 376 D CA -0.096 53.362 54.000 -0.905 0.000 0.875 376 D CB 1.445 41.970 40.800 -0.458 0.000 1.136 376 D HN 0.335 nan 8.370 nan 0.000 0.469 377 V N 1.636 121.262 119.914 -0.479 0.000 2.915 377 V HA 0.276 4.395 4.120 -0.001 0.000 0.364 377 V C 0.536 176.497 176.094 -0.221 0.000 1.354 377 V CA -0.214 61.930 62.300 -0.260 0.000 1.213 377 V CB -0.694 31.017 31.823 -0.187 0.000 1.268 377 V HN 0.457 nan 8.190 nan 0.000 0.557 378 S N 0.724 116.274 115.700 -0.250 0.000 2.608 378 S HA 0.644 5.114 4.470 -0.001 0.000 0.261 378 S C 1.683 176.151 174.600 -0.220 0.000 1.314 378 S CA 0.298 58.385 58.200 -0.188 0.000 0.992 378 S CB 1.552 64.660 63.200 -0.154 0.000 0.935 378 S HN 1.231 nan 8.310 nan 0.000 0.564 379 A N 1.585 124.268 122.820 -0.228 0.000 1.986 379 A HA -0.105 4.214 4.320 -0.001 0.000 0.220 379 A C 2.467 179.669 177.584 -0.637 0.000 1.171 379 A CA 2.204 54.055 52.037 -0.310 0.000 0.640 379 A CB -1.748 17.117 19.000 -0.223 0.000 0.811 379 A HN 1.402 nan 8.150 nan 0.000 0.451 380 S N -0.946 114.254 115.700 -0.834 0.000 2.423 380 S HA -0.090 4.380 4.470 -0.001 0.000 0.231 380 S C 1.633 175.924 174.600 -0.514 0.000 1.014 380 S CA 1.395 58.860 58.200 -1.226 0.000 0.965 380 S CB -0.419 62.378 63.200 -0.672 0.000 0.785 380 S HN 0.387 nan 8.310 nan 0.000 0.495 381 M N 2.274 121.691 119.600 -0.305 0.000 2.686 381 M HA 0.132 4.612 4.480 -0.001 0.000 0.246 381 M C 1.653 177.884 176.300 -0.115 0.000 1.096 381 M CA 0.300 55.504 55.300 -0.159 0.000 1.076 381 M CB -1.605 30.912 32.600 -0.139 0.000 1.504 381 M HN 0.582 nan 8.290 nan 0.000 0.524 382 N N 1.450 120.064 118.700 -0.142 0.000 2.461 382 N HA -0.041 4.698 4.740 -0.001 0.000 0.188 382 N C 0.194 175.704 175.510 0.001 0.000 1.134 382 N CA -0.156 52.858 53.050 -0.060 0.000 0.878 382 N CB 0.511 38.968 38.487 -0.051 0.000 0.972 382 N HN 0.547 nan 8.380 nan 0.000 0.456 383 Q N 1.223 121.030 119.800 0.011 0.000 2.361 383 Q HA 0.070 4.409 4.340 -0.001 0.000 0.276 383 Q C -0.501 175.524 176.000 0.041 0.000 1.022 383 Q CA -0.061 55.778 55.803 0.061 0.000 0.898 383 Q CB 0.659 29.442 28.738 0.075 0.000 1.246 383 Q HN -0.000 nan 8.270 nan 0.000 0.410 384 R N 1.431 121.962 120.500 0.052 0.000 2.531 384 R HA 0.357 4.696 4.340 -0.001 0.000 0.273 384 R C -0.021 176.322 176.300 0.073 0.000 1.070 384 R CA -0.570 55.569 56.100 0.065 0.000 1.112 384 R CB 0.918 31.258 30.300 0.067 0.000 1.049 384 R HN 0.682 nan 8.270 nan 0.000 0.508 385 V N 0.049 120.031 119.914 0.113 0.000 2.581 385 V HA 0.373 4.493 4.120 -0.001 0.000 0.303 385 V C 0.709 176.858 176.094 0.093 0.000 1.041 385 V CA -0.983 61.387 62.300 0.117 0.000 0.907 385 V CB 1.278 33.210 31.823 0.181 0.000 0.994 385 V HN 0.795 nan 8.190 nan 0.000 0.442 386 L N 4.116 125.348 121.223 0.016 0.000 3.737 386 L HA -0.192 4.147 4.340 -0.001 0.000 0.418 386 L C 1.523 178.427 176.870 0.056 0.000 1.216 386 L CA 0.764 55.569 54.840 -0.059 0.000 0.915 386 L CB -1.556 40.274 42.059 -0.382 0.000 1.834 386 L HN 1.677 nan 8.230 nan 0.000 0.943 387 G N -0.544 108.299 108.800 0.072 0.000 2.233 387 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.270 387 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.270 387 G C 0.494 175.464 174.900 0.116 0.000 1.011 387 G CA 0.853 46.002 45.100 0.083 0.000 0.762 387 G HN 1.008 nan 8.290 nan 0.000 0.511 388 S N -1.087 114.712 115.700 0.164 0.000 2.745 388 S HA 0.700 5.170 4.470 -0.001 0.000 0.292 388 S C 1.423 176.089 174.600 0.109 0.000 1.127 388 S CA -0.224 58.074 58.200 0.164 0.000 1.007 388 S CB 1.108 64.465 63.200 0.261 0.000 1.165 388 S HN 0.959 nan 8.310 nan 0.000 0.544 389 I N -0.984 119.631 120.570 0.075 0.000 3.578 389 I HA 0.340 4.509 4.170 -0.001 0.000 0.295 389 I C 0.160 176.303 176.117 0.043 0.000 1.280 389 I CA 0.153 61.483 61.300 0.050 0.000 1.347 389 I CB -1.079 36.941 38.000 0.033 0.000 1.051 389 I HN 0.381 nan 8.210 nan 0.000 0.460 390 L N 3.194 124.451 121.223 0.057 0.000 2.319 390 L HA 0.304 4.643 4.340 -0.001 0.000 0.280 390 L C 0.225 177.141 176.870 0.077 0.000 1.099 390 L CA -0.480 54.390 54.840 0.049 0.000 0.828 390 L CB 0.160 42.235 42.059 0.027 0.000 1.150 390 L HN 0.337 nan 8.230 nan 0.000 0.442 391 N N 2.569 121.298 118.700 0.048 0.000 2.413 391 N HA 0.279 5.018 4.740 -0.001 0.000 0.266 391 N C 0.728 176.270 175.510 0.054 0.000 1.238 391 N CA -0.112 52.964 53.050 0.043 0.000 0.972 391 N CB 0.799 39.294 38.487 0.013 0.000 1.210 391 N HN 0.548 nan 8.380 nan 0.000 0.547 392 A N 0.085 122.926 122.820 0.034 0.000 1.933 392 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 392 A C 2.113 179.725 177.584 0.047 0.000 1.175 392 A CA 1.775 53.839 52.037 0.043 0.000 0.628 392 A CB -1.229 17.769 19.000 -0.004 0.000 0.814 392 A HN 0.696 nan 8.150 nan 0.000 0.444 393 S N -0.633 115.068 115.700 0.001 0.000 2.383 393 S HA -0.106 4.363 4.470 -0.001 0.000 0.227 393 S C 1.909 176.507 174.600 -0.003 0.000 1.026 393 S CA 1.288 59.477 58.200 -0.019 0.000 0.981 393 S CB -0.393 62.773 63.200 -0.057 0.000 0.818 393 S HN 0.354 nan 8.310 nan 0.000 0.472 394 V N 1.554 121.473 119.914 0.009 0.000 2.237 394 V HA -0.164 3.955 4.120 -0.001 0.000 0.245 394 V C 2.339 178.466 176.094 0.056 0.000 1.046 394 V CA 1.659 63.966 62.300 0.011 0.000 1.007 394 V CB -0.789 31.038 31.823 0.006 0.000 0.638 394 V HN 0.341 nan 8.190 nan 0.000 0.445 395 V N 0.369 120.351 119.914 0.114 0.000 2.332 395 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 395 V C 2.688 178.974 176.094 0.320 0.000 1.055 395 V CA 2.111 64.550 62.300 0.233 0.000 1.038 395 V CB -1.290 30.681 31.823 0.247 0.000 0.651 395 V HN 0.575 nan 8.190 nan 0.000 0.450 396 A N 0.041 122.972 122.820 0.185 0.000 1.902 396 A HA -0.113 4.207 4.320 -0.001 0.000 0.217 396 A C 2.436 179.888 177.584 -0.220 0.000 1.181 396 A CA 2.077 54.141 52.037 0.044 0.000 0.623 396 A CB -0.802 18.234 19.000 0.061 0.000 0.818 396 A HN 0.593 nan 8.150 nan 0.000 0.443 397 A N -0.253 122.500 122.820 -0.113 0.000 1.972 397 A HA 0.165 4.484 4.320 -0.001 0.000 0.219 397 A C 2.444 179.981 177.584 -0.079 0.000 1.169 397 A CA 1.996 53.952 52.037 -0.136 0.000 0.635 397 A CB -0.855 18.098 19.000 -0.078 0.000 0.810 397 A HN 1.027 nan 8.150 nan 0.000 0.446 398 A N -1.055 121.791 122.820 0.044 0.000 1.930 398 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 398 A C 2.147 179.851 177.584 0.200 0.000 1.175 398 A CA 1.761 53.871 52.037 0.121 0.000 0.627 398 A CB -0.421 18.750 19.000 0.286 0.000 0.815 398 A HN 0.408 nan 8.150 nan 0.000 0.443 399 M N -0.981 118.713 119.600 0.158 0.000 2.175 399 M HA -0.127 4.353 4.480 -0.001 0.000 0.264 399 M C 2.439 178.673 176.300 -0.111 0.000 1.063 399 M CA 1.028 56.336 55.300 0.012 0.000 1.119 399 M CB -1.709 30.991 32.600 0.168 0.000 1.377 399 M HN 0.628 nan 8.290 nan 0.000 0.415 400 C N 0.732 119.837 119.300 -0.324 0.000 2.413 400 C HA -0.184 4.276 4.460 -0.001 0.000 0.276 400 C C 2.910 177.860 174.990 -0.068 0.000 1.236 400 C CA 0.903 59.752 59.018 -0.280 0.000 1.735 400 C CB -0.650 26.851 27.740 -0.397 0.000 2.031 400 C HN 0.474 nan 8.230 nan 0.000 0.474 401 M N -0.031 119.561 119.600 -0.013 0.000 2.149 401 M HA -0.123 4.356 4.480 -0.001 0.000 0.261 401 M C 2.182 178.570 176.300 0.148 0.000 1.064 401 M CA 1.437 56.788 55.300 0.084 0.000 1.102 401 M CB -1.448 31.245 32.600 0.155 0.000 1.369 401 M HN 0.487 nan 8.290 nan 0.000 0.408 402 L N -0.072 121.241 121.223 0.150 0.000 1.989 402 L HA -0.225 4.114 4.340 -0.001 0.000 0.211 402 L C 2.335 179.151 176.870 -0.091 0.000 1.071 402 L CA 1.534 56.404 54.840 0.049 0.000 0.749 402 L CB -0.262 41.572 42.059 -0.375 0.000 0.890 402 L HN 0.070 nan 8.230 nan 0.000 0.431 403 V N 0.171 120.018 119.914 -0.110 0.000 2.307 403 V HA -0.262 3.857 4.120 -0.001 0.000 0.245 403 V C 2.838 178.827 176.094 -0.175 0.000 1.045 403 V CA 1.626 63.827 62.300 -0.164 0.000 1.024 403 V CB -1.059 30.699 31.823 -0.109 0.000 0.651 403 V HN 0.589 nan 8.190 nan 0.000 0.449 404 A N -0.095 122.670 122.820 -0.092 0.000 1.948 404 A HA -0.251 4.068 4.320 -0.001 0.000 0.220 404 A C 2.344 179.869 177.584 -0.098 0.000 1.177 404 A CA 1.885 53.879 52.037 -0.072 0.000 0.636 404 A CB -0.511 18.477 19.000 -0.020 0.000 0.815 404 A HN 0.515 nan 8.150 nan 0.000 0.449 405 R N -1.319 119.109 120.500 -0.121 0.000 2.276 405 R HA 0.008 4.347 4.340 -0.001 0.000 0.203 405 R C 1.646 177.846 176.300 -0.167 0.000 1.017 405 R CA 1.254 57.249 56.100 -0.175 0.000 1.010 405 R CB -0.197 29.909 30.300 -0.323 0.000 0.900 405 R HN 0.546 nan 8.270 nan 0.000 0.469 406 T N 0.341 114.796 114.554 -0.166 0.000 2.904 406 T HA 0.028 4.378 4.350 -0.001 0.000 0.243 406 T C 0.478 175.082 174.700 -0.160 0.000 1.024 406 T CA 0.671 62.674 62.100 -0.161 0.000 1.158 406 T CB 0.239 68.998 68.868 -0.182 0.000 0.867 406 T HN 0.037 nan 8.240 nan 0.000 0.429 407 E N 2.074 122.136 120.200 -0.230 0.000 2.081 407 E HA 0.220 4.569 4.350 -0.001 0.000 0.281 407 E C 0.559 177.102 176.600 -0.095 0.000 0.986 407 E CA -0.150 56.125 56.400 -0.208 0.000 0.796 407 E CB 1.767 31.149 29.700 -0.529 0.000 1.085 407 E HN 0.284 nan 8.360 nan 0.000 0.398 408 K N 2.248 122.627 120.400 -0.035 0.000 2.063 408 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 408 K C 0.681 177.298 176.600 0.028 0.000 1.048 408 K CA 0.985 57.265 56.287 -0.010 0.000 0.928 408 K CB 0.245 32.743 32.500 -0.004 0.000 0.713 408 K HN 0.287 nan 8.250 nan 0.000 0.442 409 D N 1.454 121.897 120.400 0.073 0.000 2.671 409 D HA 0.039 4.679 4.640 -0.001 0.000 0.228 409 D C -1.227 175.178 176.300 0.175 0.000 1.102 409 D CA 0.234 54.302 54.000 0.112 0.000 1.044 409 D CB -0.004 40.870 40.800 0.125 0.000 1.113 409 D HN 0.020 nan 8.370 nan 0.000 0.480 410 S N 1.208 116.986 115.700 0.130 0.000 2.502 410 S HA 0.261 4.731 4.470 -0.001 0.000 0.304 410 S C -0.578 174.142 174.600 0.201 0.000 1.097 410 S CA -0.686 57.616 58.200 0.170 0.000 1.045 410 S CB 1.937 65.183 63.200 0.077 0.000 1.019 410 S HN 0.451 nan 8.310 nan 0.000 0.481 411 H N 2.993 122.131 119.070 0.115 0.000 2.646 411 H HA 0.485 5.041 4.556 -0.001 0.000 0.328 411 H C -0.919 174.470 175.328 0.101 0.000 0.998 411 H CA -0.917 55.194 56.048 0.106 0.000 1.225 411 H CB 0.559 30.406 29.762 0.142 0.000 1.457 411 H HN 0.473 nan 8.280 nan 0.000 0.505 412 M N 5.943 125.729 119.600 0.309 0.000 2.233 412 M HA 0.313 4.792 4.480 -0.001 0.000 0.355 412 M C -0.658 175.659 176.300 0.028 0.000 1.191 412 M CA -0.829 54.548 55.300 0.129 0.000 1.101 412 M CB 1.609 34.263 32.600 0.090 0.000 1.592 412 M HN 0.421 nan 8.290 nan 0.000 0.461 413 V N -0.040 119.840 119.914 -0.057 0.000 3.159 413 V HA 1.059 5.178 4.120 -0.001 0.000 0.308 413 V C -1.069 175.018 176.094 -0.012 0.000 1.190 413 V CA -0.902 61.311 62.300 -0.145 0.000 1.037 413 V CB 1.671 33.242 31.823 -0.419 0.000 1.060 413 V HN 0.953 nan 8.190 nan 0.000 0.437 414 A N 2.130 124.938 122.820 -0.022 0.000 2.430 414 A HA 1.108 5.427 4.320 -0.001 0.000 0.300 414 A C -0.967 176.686 177.584 0.115 0.000 1.124 414 A CA -0.511 51.542 52.037 0.027 0.000 0.766 414 A CB 1.846 20.818 19.000 -0.047 0.000 1.328 414 A HN 2.297 nan 8.150 nan 0.000 0.424 415 F N -1.095 118.823 119.950 -0.055 0.000 2.744 415 F HA 0.704 5.231 4.527 -0.001 0.000 0.311 415 F C 0.122 175.907 175.800 -0.025 0.000 1.144 415 F CA 0.052 58.022 58.000 -0.049 0.000 0.938 415 F CB 0.744 39.717 39.000 -0.045 0.000 1.292 415 F HN 0.879 nan 8.300 nan 0.000 0.444 416 S N -0.014 115.724 115.700 0.063 0.000 3.865 416 S HA 0.256 4.726 4.470 -0.001 0.000 0.182 416 S C 0.112 174.809 174.600 0.162 0.000 1.141 416 S CA 0.451 58.641 58.200 -0.017 0.000 1.257 416 S CB -0.209 62.959 63.200 -0.053 0.000 1.779 416 S HN 0.770 nan 8.310 nan 0.000 0.816 417 D N 1.714 122.170 120.400 0.093 0.000 2.340 417 D HA 0.287 4.926 4.640 -0.001 0.000 0.217 417 D C 0.288 176.642 176.300 0.090 0.000 1.081 417 D CA -0.077 53.978 54.000 0.091 0.000 0.842 417 D CB -0.168 40.662 40.800 0.050 0.000 0.934 417 D HN 0.837 nan 8.370 nan 0.000 0.511 418 E N -1.328 118.936 120.200 0.107 0.000 2.416 418 E HA 0.309 4.659 4.350 -0.001 0.000 0.280 418 E C -0.962 175.697 176.600 0.099 0.000 1.055 418 E CA -1.105 55.348 56.400 0.089 0.000 0.825 418 E CB 0.761 30.496 29.700 0.059 0.000 1.312 418 E HN -0.273 nan 8.360 nan 0.000 0.452 419 M N 2.029 121.666 119.600 0.061 0.000 2.188 419 M HA 0.296 4.776 4.480 -0.001 0.000 0.354 419 M C -0.891 175.395 176.300 -0.022 0.000 1.342 419 M CA -0.317 54.978 55.300 -0.009 0.000 1.117 419 M CB -0.019 32.499 32.600 -0.137 0.000 1.670 419 M HN 0.492 nan 8.290 nan 0.000 0.466 420 L N 5.984 127.189 121.223 -0.030 0.000 2.333 420 L HA 0.634 4.974 4.340 -0.001 0.000 0.269 420 L C -1.887 174.949 176.870 -0.056 0.000 1.010 420 L CA -1.844 52.977 54.840 -0.031 0.000 0.818 420 L CB 1.422 43.466 42.059 -0.024 0.000 1.306 420 L HN 0.422 nan 8.230 nan 0.000 0.430 421 P HA 0.020 nan 4.420 nan 0.000 0.269 421 P C -0.571 176.712 177.300 -0.028 0.000 1.209 421 P CA -0.289 62.793 63.100 -0.029 0.000 0.776 421 P CB 0.975 32.672 31.700 -0.005 0.000 0.876 422 C N 5.298 124.586 119.300 -0.020 0.000 2.246 422 C HA 0.298 4.758 4.460 -0.001 0.000 0.329 422 C C -0.974 174.011 174.990 -0.007 0.000 1.221 422 C CA -1.514 57.495 59.018 -0.015 0.000 1.697 422 C CB -0.620 27.118 27.740 -0.003 0.000 2.312 422 C HN 0.472 nan 8.230 nan 0.000 0.509 423 P HA 0.030 nan 4.420 nan 0.000 0.239 423 P C 0.051 177.339 177.300 -0.019 0.000 1.184 423 P CA 0.834 63.924 63.100 -0.017 0.000 0.760 423 P CB -0.252 31.434 31.700 -0.023 0.000 0.884 424 I N -5.107 115.452 120.570 -0.018 0.000 2.750 424 I HA 0.616 4.786 4.170 -0.001 0.000 0.308 424 I C -0.653 175.458 176.117 -0.009 0.000 1.016 424 I CA -0.708 60.580 61.300 -0.022 0.000 1.098 424 I CB 2.300 40.281 38.000 -0.032 0.000 1.279 424 I HN -0.434 nan 8.210 nan 0.000 0.454 425 T N 2.929 117.474 114.554 -0.015 0.000 2.893 425 T HA 0.275 4.625 4.350 -0.001 0.000 0.291 425 T C 0.941 175.634 174.700 -0.013 0.000 1.028 425 T CA -0.564 61.530 62.100 -0.009 0.000 0.995 425 T CB 2.151 71.011 68.868 -0.013 0.000 1.051 425 T HN 0.488 nan 8.240 nan 0.000 0.470 426 V N 2.197 122.104 119.914 -0.011 0.000 2.828 426 V HA -0.135 3.984 4.120 -0.001 0.000 0.260 426 V C 1.912 177.989 176.094 -0.028 0.000 1.101 426 V CA 1.476 63.764 62.300 -0.020 0.000 1.123 426 V CB -0.639 31.166 31.823 -0.031 0.000 0.704 426 V HN 0.678 nan 8.190 nan 0.000 0.493 427 N N -0.734 117.951 118.700 -0.025 0.000 2.415 427 N HA 0.136 4.875 4.740 -0.001 0.000 0.176 427 N C 0.808 176.305 175.510 -0.023 0.000 1.042 427 N CA 0.370 53.405 53.050 -0.024 0.000 0.902 427 N CB -0.159 38.316 38.487 -0.021 0.000 0.986 427 N HN 0.452 nan 8.380 nan 0.000 0.447 428 M N 0.603 120.183 119.600 -0.032 0.000 2.228 428 M HA 0.035 4.514 4.480 -0.001 0.000 0.303 428 M C 0.312 176.576 176.300 -0.060 0.000 1.099 428 M CA 0.319 55.582 55.300 -0.061 0.000 1.171 428 M CB 0.539 33.090 32.600 -0.082 0.000 1.412 428 M HN -0.097 nan 8.290 nan 0.000 0.447 429 L N 1.090 122.231 121.223 -0.136 0.000 2.379 429 L HA 0.200 4.539 4.340 -0.001 0.000 0.269 429 L C 1.324 178.069 176.870 -0.208 0.000 1.084 429 L CA -0.470 54.293 54.840 -0.128 0.000 0.802 429 L CB 0.923 42.880 42.059 -0.170 0.000 1.175 429 L HN 0.732 nan 8.230 nan 0.000 0.448 430 L N 1.538 122.690 121.223 -0.117 0.000 2.013 430 L HA -0.280 4.060 4.340 -0.001 0.000 0.212 430 L C 2.694 179.480 176.870 -0.141 0.000 1.073 430 L CA 1.534 56.274 54.840 -0.167 0.000 0.753 430 L CB -0.734 41.175 42.059 -0.250 0.000 0.890 430 L HN 0.829 nan 8.230 nan 0.000 0.432 431 H N -0.499 118.534 119.070 -0.060 0.000 2.422 431 H HA -0.228 4.328 4.556 -0.001 0.000 0.298 431 H C 1.849 177.153 175.328 -0.041 0.000 1.098 431 H CA 1.662 57.681 56.048 -0.047 0.000 1.315 431 H CB -0.377 29.372 29.762 -0.022 0.000 1.382 431 H HN 0.538 nan 8.280 nan 0.000 0.523 432 E N 1.208 121.113 120.200 -0.491 0.000 2.107 432 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 432 E C 2.348 178.864 176.600 -0.139 0.000 0.982 432 E CA 0.948 57.187 56.400 -0.269 0.000 0.809 432 E CB 0.247 29.761 29.700 -0.310 0.000 0.756 432 E HN 0.289 nan 8.360 nan 0.000 0.459 433 V N 0.622 120.449 119.914 -0.145 0.000 2.295 433 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 433 V C 2.421 178.471 176.094 -0.073 0.000 1.049 433 V CA 1.440 63.683 62.300 -0.096 0.000 1.024 433 V CB -0.265 31.498 31.823 -0.100 0.000 0.648 433 V HN 0.214 nan 8.190 nan 0.000 0.447 434 V N -0.384 119.489 119.914 -0.069 0.000 2.343 434 V HA -0.280 3.839 4.120 -0.001 0.000 0.247 434 V C 2.405 178.481 176.094 -0.029 0.000 1.051 434 V CA 2.088 64.362 62.300 -0.044 0.000 1.036 434 V CB -0.610 31.193 31.823 -0.034 0.000 0.654 434 V HN 0.598 nan 8.190 nan 0.000 0.451 435 E N -0.062 120.125 120.200 -0.021 0.000 2.077 435 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 435 E C 2.196 178.783 176.600 -0.022 0.000 0.989 435 E CA 1.181 57.574 56.400 -0.012 0.000 0.800 435 E CB -0.055 29.647 29.700 0.003 0.000 0.746 435 E HN 0.555 nan 8.360 nan 0.000 0.452 436 K N -0.566 119.814 120.400 -0.032 0.000 2.418 436 K HA 0.046 4.365 4.320 -0.001 0.000 0.195 436 K C 1.481 178.061 176.600 -0.034 0.000 1.035 436 K CA 0.401 56.668 56.287 -0.032 0.000 1.003 436 K CB 0.316 32.795 32.500 -0.036 0.000 0.793 436 K HN 0.124 nan 8.250 nan 0.000 0.494 437 M N -0.523 119.055 119.600 -0.037 0.000 2.421 437 M HA 0.109 4.589 4.480 -0.001 0.000 0.258 437 M C 1.652 177.931 176.300 -0.035 0.000 1.122 437 M CA 0.689 55.965 55.300 -0.039 0.000 1.078 437 M CB 0.250 32.824 32.600 -0.043 0.000 1.380 437 M HN -0.123 nan 8.290 nan 0.000 0.499 438 S N 1.305 116.988 115.700 -0.027 0.000 2.368 438 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 438 S C 0.950 175.536 174.600 -0.023 0.000 1.030 438 S CA 1.239 59.426 58.200 -0.021 0.000 0.999 438 S CB -0.082 63.108 63.200 -0.015 0.000 0.844 438 S HN 0.442 nan 8.310 nan 0.000 0.459 439 D N 0.820 121.206 120.400 -0.024 0.000 2.424 439 D HA 0.204 4.844 4.640 -0.001 0.000 0.220 439 D C 0.943 177.225 176.300 -0.029 0.000 1.150 439 D CA 0.065 54.051 54.000 -0.023 0.000 0.831 439 D CB 0.164 40.954 40.800 -0.017 0.000 0.981 439 D HN 0.546 nan 8.370 nan 0.000 0.500 440 I N -1.724 118.824 120.570 -0.038 0.000 3.976 440 I HA 0.128 4.297 4.170 -0.001 0.000 0.337 440 I C 0.562 176.643 176.117 -0.059 0.000 1.359 440 I CA -0.316 60.958 61.300 -0.044 0.000 1.098 440 I CB 0.003 37.977 38.000 -0.044 0.000 1.027 440 I HN -0.291 nan 8.210 nan 0.000 0.394 441 T N 1.651 116.165 114.554 -0.067 0.000 2.930 441 T HA 0.516 4.865 4.350 -0.001 0.000 0.306 441 T C -0.192 174.459 174.700 -0.082 0.000 1.045 441 T CA -0.338 61.707 62.100 -0.092 0.000 1.134 441 T CB 1.224 70.028 68.868 -0.106 0.000 0.961 441 T HN 0.538 nan 8.240 nan 0.000 0.545 442 M N 0.317 119.861 119.600 -0.093 0.000 2.860 442 M HA 0.560 5.040 4.480 -0.001 0.000 0.270 442 M C -0.231 176.029 176.300 -0.066 0.000 0.988 442 M CA -0.184 55.075 55.300 -0.069 0.000 0.807 442 M CB 0.837 33.411 32.600 -0.044 0.000 1.708 442 M HN 1.736 nan 8.290 nan 0.000 0.558 443 G N 1.572 110.345 108.800 -0.045 0.000 2.796 443 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.571 443 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.571 443 G C -0.750 174.133 174.900 -0.028 0.000 1.370 443 G CA -0.239 44.845 45.100 -0.026 0.000 0.856 443 G HN 1.104 nan 8.290 nan 0.000 0.538 444 S N -1.046 114.655 115.700 0.002 0.000 2.652 444 S HA 0.761 5.231 4.470 -0.001 0.000 0.267 444 S C 0.512 175.126 174.600 0.024 0.000 1.201 444 S CA 0.485 58.696 58.200 0.018 0.000 0.996 444 S CB 1.004 64.222 63.200 0.030 0.000 1.054 444 S HN 1.038 nan 8.310 nan 0.000 0.561 445 T N 1.841 116.422 114.554 0.046 0.000 2.809 445 T HA 0.413 4.763 4.350 -0.001 0.000 0.284 445 T C -1.241 173.524 174.700 0.109 0.000 0.992 445 T CA -0.532 61.617 62.100 0.083 0.000 0.957 445 T CB 1.062 69.973 68.868 0.071 0.000 0.942 445 T HN 0.427 nan 8.240 nan 0.000 0.439 446 D N 1.974 122.491 120.400 0.196 0.000 2.375 446 D HA 0.234 4.873 4.640 -0.001 0.000 0.259 446 D C 0.620 176.992 176.300 0.121 0.000 1.235 446 D CA -0.692 53.379 54.000 0.119 0.000 0.924 446 D CB 0.299 41.143 40.800 0.074 0.000 1.143 446 D HN 0.516 nan 8.370 nan 0.000 0.529 447 C N 2.317 121.683 119.300 0.110 0.000 2.485 447 C HA 0.151 4.610 4.460 -0.001 0.000 0.283 447 C C 2.261 177.125 174.990 -0.210 0.000 1.478 447 C CA 0.715 59.731 59.018 -0.003 0.000 1.741 447 C CB -1.469 26.339 27.740 0.113 0.000 1.675 447 C HN 0.692 nan 8.230 nan 0.000 0.573 448 A N 0.127 122.855 122.820 -0.154 0.000 2.132 448 A HA 0.138 4.458 4.320 -0.001 0.000 0.213 448 A C 1.989 179.458 177.584 -0.192 0.000 1.154 448 A CA 0.526 52.474 52.037 -0.148 0.000 0.753 448 A CB -0.319 18.639 19.000 -0.070 0.000 0.826 448 A HN 0.561 nan 8.150 nan 0.000 0.469 449 L N -0.162 120.917 121.223 -0.240 0.000 2.013 449 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 449 L C -0.416 176.372 176.870 -0.137 0.000 1.073 449 L CA 1.930 56.667 54.840 -0.171 0.000 0.753 449 L CB -1.522 40.438 42.059 -0.166 0.000 0.890 449 L HN 0.225 nan 8.230 nan 0.000 0.432 450 P HA -0.220 nan 4.420 nan 0.000 0.215 450 P C 1.623 178.954 177.300 0.052 0.000 1.163 450 P CA 1.687 64.727 63.100 -0.102 0.000 0.894 450 P CB 0.011 31.586 31.700 -0.209 0.000 0.791 451 M N -2.018 117.426 119.600 -0.261 0.000 2.200 451 M HA -0.057 4.422 4.480 -0.001 0.000 0.265 451 M C 2.102 178.383 176.300 -0.032 0.000 1.066 451 M CA 1.602 56.640 55.300 -0.437 0.000 1.127 451 M CB -1.356 30.854 32.600 -0.651 0.000 1.379 451 M HN -0.142 nan 8.290 nan 0.000 0.420 452 L N -2.129 119.098 121.223 0.007 0.000 2.046 452 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 452 L C 2.405 179.358 176.870 0.138 0.000 1.077 452 L CA 1.333 56.217 54.840 0.074 0.000 0.747 452 L CB -0.766 41.322 42.059 0.049 0.000 0.896 452 L HN 0.506 nan 8.230 nan 0.000 0.432 453 W N 1.044 122.355 121.300 0.019 0.000 2.358 453 W HA -0.219 4.440 4.660 -0.001 0.000 0.303 453 W C 2.469 179.057 176.519 0.115 0.000 1.208 453 W CA 1.703 59.080 57.345 0.053 0.000 1.274 453 W CB -0.136 29.341 29.460 0.030 0.000 1.138 453 W HN 0.091 nan 8.180 nan 0.000 0.515 454 A N 0.103 122.978 122.820 0.091 0.000 1.969 454 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 454 A C 2.078 179.713 177.584 0.085 0.000 1.169 454 A CA 1.801 53.819 52.037 -0.033 0.000 0.635 454 A CB -0.934 18.314 19.000 0.413 0.000 0.810 454 A HN 0.482 nan 8.150 nan 0.000 0.445 455 Q N 0.283 120.208 119.800 0.208 0.000 2.020 455 Q HA -0.187 4.153 4.340 -0.001 0.000 0.198 455 Q C 2.081 178.046 176.000 -0.058 0.000 0.974 455 Q CA 2.147 58.009 55.803 0.098 0.000 0.829 455 Q CB -0.325 28.489 28.738 0.127 0.000 0.894 455 Q HN 0.487 nan 8.270 nan 0.000 0.433 456 K N 0.417 120.771 120.400 -0.077 0.000 2.074 456 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 456 K C 1.825 178.326 176.600 -0.164 0.000 1.048 456 K CA 2.280 58.507 56.287 -0.100 0.000 0.926 456 K CB -0.741 31.719 32.500 -0.065 0.000 0.713 456 K HN 0.417 nan 8.250 nan 0.000 0.444 457 T N -2.734 111.628 114.554 -0.321 0.000 3.129 457 T HA 0.109 4.459 4.350 -0.001 0.000 0.251 457 T C 0.075 174.638 174.700 -0.228 0.000 1.117 457 T CA 0.335 62.236 62.100 -0.332 0.000 1.034 457 T CB -0.553 67.933 68.868 -0.636 0.000 0.968 457 T HN 0.379 nan 8.240 nan 0.000 0.526 458 N N 0.697 119.292 118.700 -0.175 0.000 2.758 458 N HA -0.126 4.614 4.740 -0.001 0.000 0.248 458 N C -0.972 174.488 175.510 -0.082 0.000 1.076 458 N CA 1.022 54.008 53.050 -0.108 0.000 0.696 458 N CB -1.823 36.613 38.487 -0.084 0.000 0.979 458 N HN 0.472 nan 8.380 nan 0.000 0.550 459 T N 0.282 114.776 114.554 -0.100 0.000 2.743 459 T HA 0.582 4.932 4.350 -0.001 0.000 0.293 459 T C 0.598 175.362 174.700 0.106 0.000 0.945 459 T CA -0.055 62.026 62.100 -0.032 0.000 1.030 459 T CB 1.106 69.885 68.868 -0.150 0.000 0.912 459 T HN 0.367 nan 8.240 nan 0.000 0.483 460 A N 3.068 125.938 122.820 0.084 0.000 2.320 460 A HA 0.753 5.072 4.320 -0.001 0.000 0.287 460 A C 0.202 177.817 177.584 0.052 0.000 1.181 460 A CA -0.646 51.453 52.037 0.103 0.000 0.831 460 A CB 0.138 19.164 19.000 0.044 0.000 1.102 460 A HN 1.061 nan 8.150 nan 0.000 0.513 461 A N 2.320 125.153 122.820 0.022 0.000 2.488 461 A HA 0.593 4.913 4.320 -0.001 0.000 0.295 461 A C -0.133 177.309 177.584 -0.236 0.000 1.045 461 A CA -0.559 51.337 52.037 -0.235 0.000 0.703 461 A CB 0.955 19.575 19.000 -0.633 0.000 1.271 461 A HN 0.674 nan 8.150 nan 0.000 0.400 462 D N 0.784 121.027 120.400 -0.262 0.000 2.183 462 D HA 0.083 4.722 4.640 -0.001 0.000 0.205 462 D C 0.295 176.428 176.300 -0.279 0.000 0.962 462 D CA 1.386 55.255 54.000 -0.219 0.000 0.849 462 D CB 0.392 41.045 40.800 -0.244 0.000 0.978 462 D HN 0.423 nan 8.370 nan 0.000 0.488 463 I N 0.705 120.991 120.570 -0.473 0.000 2.466 463 I HA 0.267 4.436 4.170 -0.001 0.000 0.289 463 I C -0.802 175.132 176.117 -0.304 0.000 1.026 463 I CA -0.691 60.400 61.300 -0.349 0.000 1.078 463 I CB 1.351 39.004 38.000 -0.577 0.000 1.249 463 I HN -0.278 nan 8.210 nan 0.000 0.429 464 F N 6.023 125.946 119.950 -0.045 0.000 2.411 464 F HA 0.525 5.052 4.527 -0.001 0.000 0.352 464 F C 0.431 176.246 175.800 0.025 0.000 1.123 464 F CA -0.421 57.569 58.000 -0.017 0.000 1.044 464 F CB 1.425 40.375 39.000 -0.083 0.000 1.135 464 F HN 0.173 nan 8.300 nan 0.000 0.461 465 I N 4.974 125.674 120.570 0.218 0.000 2.382 465 I HA 0.337 4.506 4.170 -0.001 0.000 0.285 465 I C -1.031 175.077 176.117 -0.016 0.000 1.007 465 I CA -0.810 60.515 61.300 0.042 0.000 1.142 465 I CB 1.422 39.456 38.000 0.057 0.000 1.289 465 I HN 0.162 nan 8.210 nan 0.000 0.453 466 V N 6.875 126.733 119.914 -0.093 0.000 2.347 466 V HA 0.342 4.462 4.120 -0.001 0.000 0.280 466 V C -0.407 175.640 176.094 -0.079 0.000 1.021 466 V CA -0.488 61.850 62.300 0.063 0.000 0.847 466 V CB 0.955 32.856 31.823 0.129 0.000 0.990 466 V HN 0.350 nan 8.190 nan 0.000 0.444 467 F N 3.510 123.585 119.950 0.208 0.000 2.390 467 F HA 0.671 5.198 4.527 -0.001 0.000 0.361 467 F C 0.620 176.498 175.800 0.130 0.000 1.124 467 F CA -0.038 58.060 58.000 0.163 0.000 1.149 467 F CB 1.453 40.542 39.000 0.150 0.000 1.160 467 F HN 0.526 nan 8.300 nan 0.000 0.501 468 T N 0.423 115.109 114.554 0.220 0.000 2.711 468 T HA 0.272 4.621 4.350 -0.001 0.000 0.302 468 T C -0.350 174.414 174.700 0.107 0.000 1.373 468 T CA -0.646 61.545 62.100 0.152 0.000 1.000 468 T CB 1.287 70.276 68.868 0.202 0.000 1.483 468 T HN 0.513 nan 8.240 nan 0.000 0.499 469 D N -0.249 120.205 120.400 0.089 0.000 2.369 469 D HA 0.194 4.834 4.640 -0.001 0.000 0.211 469 D C 1.120 177.507 176.300 0.145 0.000 1.077 469 D CA 0.114 54.167 54.000 0.089 0.000 0.842 469 D CB -0.921 39.935 40.800 0.094 0.000 0.947 469 D HN 0.647 nan 8.370 nan 0.000 0.509 470 C N 0.499 119.884 119.300 0.142 0.000 4.400 470 C HA -0.140 4.320 4.460 -0.001 0.000 0.275 470 C C 0.506 175.551 174.990 0.092 0.000 1.391 470 C CA 0.235 59.342 59.018 0.147 0.000 1.816 470 C CB -2.129 25.727 27.740 0.193 0.000 1.404 470 C HN 0.421 nan 8.230 nan 0.000 0.754 471 E N 1.067 121.315 120.200 0.080 0.000 2.392 471 E HA 0.097 4.446 4.350 -0.001 0.000 0.307 471 E C 0.681 177.256 176.600 -0.041 0.000 1.505 471 E CA 0.286 56.663 56.400 -0.037 0.000 1.716 471 E CB 0.328 30.051 29.700 0.037 0.000 1.450 471 E HN 0.643 nan 8.360 nan 0.000 0.484 472 T N 2.011 116.540 114.554 -0.041 0.000 2.930 472 T HA 0.103 4.453 4.350 -0.001 0.000 0.306 472 T C 0.507 175.151 174.700 -0.095 0.000 1.045 472 T CA -0.068 62.017 62.100 -0.026 0.000 1.134 472 T CB 0.140 68.996 68.868 -0.020 0.000 0.961 472 T HN 0.439 nan 8.240 nan 0.000 0.545 473 N N 1.928 120.591 118.700 -0.061 0.000 2.471 473 N HA 0.209 4.949 4.740 -0.001 0.000 0.264 473 N C -1.285 174.196 175.510 -0.049 0.000 1.493 473 N CA -0.468 52.533 53.050 -0.082 0.000 0.932 473 N CB -0.187 38.256 38.487 -0.073 0.000 1.405 473 N HN 0.293 nan 8.380 nan 0.000 0.505 474 V N 0.153 120.038 119.914 -0.047 0.000 2.769 474 V HA 0.368 4.488 4.120 -0.001 0.000 0.312 474 V C 0.374 176.439 176.094 -0.049 0.000 1.058 474 V CA -0.834 61.449 62.300 -0.029 0.000 0.952 474 V CB 2.192 34.014 31.823 -0.002 0.000 1.019 474 V HN 0.326 nan 8.190 nan 0.000 0.445 475 E N 2.534 122.715 120.200 -0.032 0.000 1.999 475 E HA 0.143 4.492 4.350 -0.001 0.000 0.296 475 E C -0.902 175.680 176.600 -0.030 0.000 1.187 475 E CA 0.059 56.439 56.400 -0.034 0.000 1.229 475 E CB -0.087 29.603 29.700 -0.016 0.000 1.131 475 E HN 0.652 nan 8.360 nan 0.000 0.478 476 D N 0.732 121.102 120.400 -0.052 0.000 2.610 476 D HA 0.174 4.814 4.640 -0.001 0.000 0.271 476 D C -0.460 175.803 176.300 -0.062 0.000 1.174 476 D CA -0.681 53.297 54.000 -0.038 0.000 0.949 476 D CB 1.737 42.521 40.800 -0.027 0.000 1.430 476 D HN 0.082 nan 8.370 nan 0.000 0.467 477 V N -0.301 119.600 119.914 -0.022 0.000 3.484 477 V HA 0.238 4.358 4.120 -0.001 0.000 0.304 477 V C 0.452 176.535 176.094 -0.018 0.000 1.116 477 V CA 0.082 62.390 62.300 0.013 0.000 1.187 477 V CB 0.157 32.007 31.823 0.045 0.000 1.062 477 V HN 0.498 nan 8.190 nan 0.000 0.489 478 H N 3.146 122.213 119.070 -0.005 0.000 2.652 478 H HA 0.208 4.764 4.556 -0.001 0.000 0.349 478 H C -1.483 173.854 175.328 0.015 0.000 1.099 478 H CA -0.916 55.132 56.048 0.000 0.000 1.417 478 H CB 1.574 31.334 29.762 -0.003 0.000 1.457 478 H HN 0.561 nan 8.280 nan 0.000 0.568 479 P HA -0.179 nan 4.420 nan 0.000 0.217 479 P C 1.198 178.540 177.300 0.071 0.000 1.148 479 P CA 1.443 64.570 63.100 0.046 0.000 0.828 479 P CB 0.125 31.844 31.700 0.031 0.000 0.783 480 A N -0.236 122.695 122.820 0.186 0.000 1.902 480 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 480 A C 2.338 179.991 177.584 0.114 0.000 1.181 480 A CA 2.334 54.476 52.037 0.175 0.000 0.623 480 A CB -1.821 17.389 19.000 0.349 0.000 0.818 480 A HN 0.185 nan 8.150 nan 0.000 0.443 481 T N 0.380 115.012 114.554 0.131 0.000 2.708 481 T HA -0.014 4.336 4.350 -0.001 0.000 0.266 481 T C 2.252 176.984 174.700 0.054 0.000 1.037 481 T CA 1.589 63.742 62.100 0.089 0.000 1.146 481 T CB -0.523 68.407 68.868 0.103 0.000 0.865 481 T HN 0.597 nan 8.240 nan 0.000 0.435 482 A N 1.621 124.462 122.820 0.036 0.000 1.978 482 A HA -0.034 4.286 4.320 -0.001 0.000 0.220 482 A C 2.267 179.835 177.584 -0.027 0.000 1.170 482 A CA 1.100 53.135 52.037 -0.003 0.000 0.636 482 A CB -0.741 18.232 19.000 -0.045 0.000 0.810 482 A HN 0.439 nan 8.150 nan 0.000 0.448 483 L N -0.782 120.406 121.223 -0.057 0.000 2.131 483 L HA -0.061 4.278 4.340 -0.001 0.000 0.206 483 L C 2.099 178.998 176.870 0.048 0.000 1.087 483 L CA 2.043 56.830 54.840 -0.089 0.000 0.767 483 L CB -0.748 41.238 42.059 -0.122 0.000 0.917 483 L HN 0.394 nan 8.230 nan 0.000 0.441 484 K N -0.366 120.063 120.400 0.049 0.000 2.057 484 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 484 K C 2.054 178.692 176.600 0.064 0.000 1.049 484 K CA 1.546 57.869 56.287 0.059 0.000 0.931 484 K CB -0.052 32.476 32.500 0.047 0.000 0.714 484 K HN 0.456 nan 8.250 nan 0.000 0.440 485 Q N -0.407 119.428 119.800 0.059 0.000 2.084 485 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 485 Q C 1.965 177.999 176.000 0.056 0.000 0.978 485 Q CA 1.709 57.539 55.803 0.045 0.000 0.844 485 Q CB -0.255 28.507 28.738 0.040 0.000 0.898 485 Q HN 0.377 nan 8.270 nan 0.000 0.426 486 Y N 1.527 121.813 120.300 -0.024 0.000 2.128 486 Y HA -0.281 4.268 4.550 -0.001 0.000 0.284 486 Y C 2.155 178.071 175.900 0.025 0.000 1.154 486 Y CA 1.717 59.815 58.100 -0.003 0.000 1.149 486 Y CB 0.034 38.479 38.460 -0.025 0.000 0.976 486 Y HN -0.063 nan 8.280 nan 0.000 0.505 487 R N 0.211 120.812 120.500 0.169 0.000 2.083 487 R HA -0.191 4.149 4.340 -0.001 0.000 0.237 487 R C 2.206 178.483 176.300 -0.039 0.000 1.137 487 R CA 2.068 58.219 56.100 0.086 0.000 0.951 487 R CB -0.368 29.999 30.300 0.112 0.000 0.851 487 R HN 0.511 nan 8.270 nan 0.000 0.434 488 E N 0.349 120.532 120.200 -0.029 0.000 2.031 488 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 488 E C 1.994 178.543 176.600 -0.084 0.000 0.994 488 E CA 1.067 57.441 56.400 -0.043 0.000 0.800 488 E CB 0.009 29.696 29.700 -0.022 0.000 0.752 488 E HN 0.005 nan 8.360 nan 0.000 0.447 489 K N 0.162 120.494 120.400 -0.114 0.000 2.097 489 K HA -0.058 4.262 4.320 -0.001 0.000 0.206 489 K C 1.782 178.265 176.600 -0.195 0.000 1.049 489 K CA 1.247 57.452 56.287 -0.138 0.000 0.933 489 K CB 0.156 32.578 32.500 -0.131 0.000 0.717 489 K HN 0.057 nan 8.250 nan 0.000 0.442 490 M N -1.614 117.794 119.600 -0.320 0.000 2.510 490 M HA 0.244 4.723 4.480 -0.001 0.000 0.256 490 M C 0.898 177.084 176.300 -0.191 0.000 1.132 490 M CA 0.996 56.099 55.300 -0.328 0.000 1.105 490 M CB -0.196 32.021 32.600 -0.638 0.000 1.375 490 M HN 0.332 nan 8.290 nan 0.000 0.477 491 G N 2.396 111.109 108.800 -0.145 0.000 2.198 491 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.257 491 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.257 491 G C -0.010 174.860 174.900 -0.050 0.000 1.042 491 G CA 0.009 45.062 45.100 -0.077 0.000 0.791 491 G HN 0.466 nan 8.290 nan 0.000 0.502 492 I N 0.721 121.269 120.570 -0.038 0.000 2.465 492 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 492 I C -1.827 174.342 176.117 0.086 0.000 1.014 492 I CA -2.610 58.709 61.300 0.032 0.000 1.093 492 I CB 2.543 40.598 38.000 0.091 0.000 1.267 492 I HN -0.122 nan 8.210 nan 0.000 0.431 493 P HA 0.112 nan 4.420 nan 0.000 0.228 493 P C 0.041 177.386 177.300 0.076 0.000 1.748 493 P CA -0.084 63.047 63.100 0.051 0.000 0.909 493 P CB -0.181 31.521 31.700 0.004 0.000 1.882 494 A N 2.307 125.235 122.820 0.181 0.000 2.561 494 A HA 0.101 4.420 4.320 -0.001 0.000 0.234 494 A C 0.481 178.168 177.584 0.173 0.000 1.055 494 A CA 0.380 52.550 52.037 0.223 0.000 0.756 494 A CB 0.077 19.358 19.000 0.469 0.000 0.986 494 A HN 0.308 nan 8.150 nan 0.000 0.505 495 K N 0.387 120.880 120.400 0.155 0.000 2.221 495 K HA 0.662 4.981 4.320 -0.001 0.000 0.243 495 K C -1.247 175.528 176.600 0.290 0.000 0.968 495 K CA -0.750 55.658 56.287 0.202 0.000 0.846 495 K CB 1.904 34.488 32.500 0.141 0.000 1.141 495 K HN 0.489 nan 8.250 nan 0.000 0.434 496 L N 2.450 123.836 121.223 0.271 0.000 2.381 496 L HA 0.506 4.845 4.340 -0.001 0.000 0.274 496 L C -1.449 175.475 176.870 0.091 0.000 0.988 496 L CA -0.349 54.598 54.840 0.178 0.000 0.824 496 L CB 1.213 43.308 42.059 0.059 0.000 1.263 496 L HN 0.570 nan 8.230 nan 0.000 0.410 497 I N 5.985 126.587 120.570 0.054 0.000 2.355 497 I HA 0.341 4.510 4.170 -0.001 0.000 0.288 497 I C -0.659 175.398 176.117 -0.101 0.000 0.999 497 I CA -0.912 60.338 61.300 -0.083 0.000 1.163 497 I CB 1.829 39.800 38.000 -0.048 0.000 1.316 497 I HN 0.283 nan 8.210 nan 0.000 0.454 498 V N 6.110 125.963 119.914 -0.102 0.000 2.334 498 V HA 0.078 4.198 4.120 -0.001 0.000 0.267 498 V C 0.162 176.208 176.094 -0.081 0.000 1.040 498 V CA -0.424 61.835 62.300 -0.067 0.000 0.866 498 V CB 1.163 32.984 31.823 -0.003 0.000 1.019 498 V HN 0.836 nan 8.190 nan 0.000 0.468 499 C N 7.326 126.526 119.300 -0.167 0.000 2.158 499 C HA 0.691 5.150 4.460 -0.001 0.000 0.350 499 C C 1.201 176.239 174.990 0.080 0.000 1.064 499 C CA -0.905 58.057 59.018 -0.094 0.000 1.507 499 C CB -1.319 26.203 27.740 -0.362 0.000 1.934 499 C HN 0.965 nan 8.230 nan 0.000 0.479 500 A N 7.115 130.014 122.820 0.131 0.000 2.511 500 A HA 0.393 4.712 4.320 -0.001 0.000 0.242 500 A C 0.863 178.539 177.584 0.152 0.000 1.069 500 A CA 0.301 52.420 52.037 0.136 0.000 0.763 500 A CB 0.258 19.338 19.000 0.134 0.000 1.001 500 A HN 0.859 nan 8.150 nan 0.000 0.498 501 M N 1.582 121.140 119.600 -0.070 0.000 2.313 501 M HA 0.131 4.611 4.480 -0.001 0.000 0.273 501 M C 0.629 176.253 176.300 -1.126 0.000 1.049 501 M CA 0.667 55.724 55.300 -0.404 0.000 1.004 501 M CB -0.973 31.583 32.600 -0.074 0.000 1.461 501 M HN 0.932 nan 8.290 nan 0.000 0.514 502 T N -2.793 111.324 114.554 -0.728 0.000 2.841 502 T HA 0.424 4.774 4.350 -0.001 0.000 0.296 502 T C 0.445 175.029 174.700 -0.193 0.000 1.166 502 T CA -0.443 61.333 62.100 -0.539 0.000 1.007 502 T CB 1.733 70.488 68.868 -0.189 0.000 1.253 502 T HN 0.110 nan 8.240 nan 0.000 0.511 503 S N 0.536 116.222 115.700 -0.023 0.000 2.685 503 S HA 0.187 4.657 4.470 -0.001 0.000 0.240 503 S C 0.501 175.108 174.600 0.011 0.000 0.967 503 S CA -0.669 57.591 58.200 0.100 0.000 1.009 503 S CB -1.411 61.929 63.200 0.234 0.000 0.776 503 S HN 0.907 nan 8.310 nan 0.000 0.467 504 N N 1.311 119.979 118.700 -0.052 0.000 2.347 504 N HA 0.398 5.138 4.740 -0.001 0.000 0.253 504 N C 0.724 176.073 175.510 -0.270 0.000 1.274 504 N CA -0.093 52.853 53.050 -0.173 0.000 0.941 504 N CB -0.133 38.272 38.487 -0.138 0.000 1.200 504 N HN 0.094 nan 8.380 nan 0.000 0.514 505 G N -1.323 107.127 108.800 -0.585 0.000 3.707 505 G HA2 0.281 4.241 3.960 -0.001 0.000 0.286 505 G HA3 0.281 4.241 3.960 -0.001 0.000 0.286 505 G C -0.732 173.923 174.900 -0.408 0.000 1.112 505 G CA -0.490 44.340 45.100 -0.450 0.000 0.861 505 G HN 0.439 nan 8.290 nan 0.000 0.534 506 F N 0.239 120.213 119.950 0.041 0.000 2.458 506 F HA 0.700 5.226 4.527 -0.001 0.000 0.330 506 F C 0.526 176.377 175.800 0.086 0.000 1.082 506 F CA -1.018 57.014 58.000 0.054 0.000 0.995 506 F CB 2.462 41.471 39.000 0.015 0.000 1.170 506 F HN 0.025 nan 8.300 nan 0.000 0.478 507 S N 2.242 118.154 115.700 0.352 0.000 2.533 507 S HA 0.413 4.883 4.470 -0.001 0.000 0.271 507 S C 0.014 174.826 174.600 0.352 0.000 1.143 507 S CA -0.802 57.565 58.200 0.278 0.000 0.891 507 S CB 1.198 64.529 63.200 0.219 0.000 1.105 507 S HN 0.679 nan 8.310 nan 0.000 0.468 508 I N 1.646 122.389 120.570 0.287 0.000 3.793 508 I HA 0.560 4.729 4.170 -0.001 0.000 0.315 508 I C 0.680 177.033 176.117 0.392 0.000 1.275 508 I CA -0.419 61.090 61.300 0.347 0.000 1.214 508 I CB -0.209 37.913 38.000 0.204 0.000 1.018 508 I HN 0.503 nan 8.210 nan 0.000 0.439 509 A N 1.994 124.954 122.820 0.233 0.000 2.320 509 A HA 0.202 4.522 4.320 -0.001 0.000 0.287 509 A C -0.374 176.976 177.584 -0.391 0.000 1.181 509 A CA -0.318 51.714 52.037 -0.008 0.000 0.831 509 A CB 0.210 19.180 19.000 -0.050 0.000 1.102 509 A HN 0.348 nan 8.150 nan 0.000 0.513 510 D N 3.675 123.657 120.400 -0.697 0.000 2.358 510 D HA 0.201 4.841 4.640 -0.001 0.000 0.258 510 D C -1.556 174.260 176.300 -0.806 0.000 1.223 510 D CA -1.721 51.444 54.000 -1.392 0.000 0.886 510 D CB 1.156 41.498 40.800 -0.762 0.000 1.120 510 D HN 0.177 nan 8.370 nan 0.000 0.482 511 P HA -0.089 nan 4.420 nan 0.000 0.219 511 P C 0.265 177.402 177.300 -0.273 0.000 1.146 511 P CA 0.896 63.743 63.100 -0.422 0.000 0.808 511 P CB 0.310 31.800 31.700 -0.349 0.000 0.779 512 D N -1.335 118.889 120.400 -0.294 0.000 2.325 512 D HA 0.000 4.640 4.640 -0.001 0.000 0.225 512 D C 0.101 176.332 176.300 -0.115 0.000 1.096 512 D CA 0.609 54.518 54.000 -0.152 0.000 0.844 512 D CB -0.092 40.647 40.800 -0.102 0.000 0.925 512 D HN 0.209 nan 8.370 nan 0.000 0.513 513 D N 0.998 121.314 120.400 -0.141 0.000 2.461 513 D HA 0.090 4.729 4.640 -0.001 0.000 0.240 513 D C 1.130 177.421 176.300 -0.015 0.000 1.094 513 D CA -0.479 53.479 54.000 -0.070 0.000 0.868 513 D CB 0.862 41.614 40.800 -0.080 0.000 1.062 513 D HN -0.227 nan 8.370 nan 0.000 0.530 514 R N 2.057 122.568 120.500 0.018 0.000 2.249 514 R HA -0.073 4.266 4.340 -0.001 0.000 0.230 514 R C 1.491 177.892 176.300 0.169 0.000 1.121 514 R CA 0.740 56.887 56.100 0.078 0.000 0.997 514 R CB -0.085 30.241 30.300 0.043 0.000 0.867 514 R HN 0.397 nan 8.270 nan 0.000 0.465 515 G N -0.270 108.606 108.800 0.127 0.000 3.141 515 G HA2 0.130 4.090 3.960 -0.001 0.000 0.218 515 G HA3 0.130 4.090 3.960 -0.001 0.000 0.218 515 G C 0.364 175.458 174.900 0.324 0.000 1.170 515 G CA -0.243 44.968 45.100 0.185 0.000 0.769 515 G HN 0.082 nan 8.290 nan 0.000 0.546 516 M N 0.467 120.203 119.600 0.227 0.000 2.395 516 M HA 0.553 5.032 4.480 -0.001 0.000 0.307 516 M C -1.648 174.597 176.300 -0.092 0.000 1.091 516 M CA -0.837 54.509 55.300 0.076 0.000 0.919 516 M CB 2.903 35.487 32.600 -0.027 0.000 1.662 516 M HN -0.017 nan 8.290 nan 0.000 0.440 517 L N 2.471 123.507 121.223 -0.312 0.000 2.408 517 L HA 0.599 4.938 4.340 -0.001 0.000 0.268 517 L C -1.519 175.187 176.870 -0.275 0.000 0.986 517 L CA -0.151 54.405 54.840 -0.473 0.000 0.820 517 L CB 1.979 43.328 42.059 -1.183 0.000 1.303 517 L HN 0.527 nan 8.230 nan 0.000 0.411 518 D N 5.595 125.890 120.400 -0.175 0.000 2.198 518 D HA 0.624 5.264 4.640 -0.001 0.000 0.245 518 D C -0.333 175.932 176.300 -0.059 0.000 1.079 518 D CA 0.278 54.229 54.000 -0.081 0.000 0.854 518 D CB 1.729 42.513 40.800 -0.028 0.000 1.148 518 D HN 0.675 nan 8.370 nan 0.000 0.456 519 I N -1.666 118.894 120.570 -0.016 0.000 3.263 519 I HA 0.634 4.804 4.170 -0.001 0.000 0.314 519 I C -0.899 175.285 176.117 0.113 0.000 1.269 519 I CA -1.022 60.301 61.300 0.038 0.000 0.942 519 I CB 2.086 40.092 38.000 0.010 0.000 1.305 519 I HN 0.408 nan 8.210 nan 0.000 0.474 520 C N 0.520 119.930 119.300 0.184 0.000 2.667 520 C HA 0.944 5.404 4.460 -0.001 0.000 0.323 520 C C 0.751 175.957 174.990 0.360 0.000 1.214 520 C CA -0.208 58.999 59.018 0.315 0.000 1.721 520 C CB 0.659 28.625 27.740 0.378 0.000 2.275 520 C HN 1.160 nan 8.230 nan 0.000 0.491 521 G N -0.167 108.982 108.800 0.583 0.000 2.527 521 G HA2 0.460 4.419 3.960 -0.001 0.000 0.248 521 G HA3 0.460 4.419 3.960 -0.001 0.000 0.248 521 G C -0.325 174.833 174.900 0.430 0.000 1.231 521 G CA -0.274 45.199 45.100 0.622 0.000 0.838 521 G HN 1.239 nan 8.290 nan 0.000 0.570 522 F N -0.702 119.410 119.950 0.270 0.000 3.027 522 F HA -0.176 4.351 4.527 -0.001 0.000 0.276 522 F C 0.594 176.471 175.800 0.128 0.000 0.967 522 F CA 1.162 59.291 58.000 0.214 0.000 0.929 522 F CB -0.624 38.474 39.000 0.164 0.000 0.873 522 F HN 0.532 nan 8.300 nan 0.000 0.787 523 D N 0.227 120.729 120.400 0.170 0.000 2.427 523 D HA 0.285 4.925 4.640 -0.001 0.000 0.226 523 D C 1.002 177.315 176.300 0.022 0.000 1.076 523 D CA 0.202 54.274 54.000 0.120 0.000 0.849 523 D CB 1.269 42.151 40.800 0.137 0.000 1.052 523 D HN 0.103 nan 8.370 nan 0.000 0.515 524 S N 1.890 117.522 115.700 -0.114 0.000 2.528 524 S HA -0.071 4.398 4.470 -0.001 0.000 0.244 524 S C 1.567 176.126 174.600 -0.068 0.000 0.982 524 S CA 0.674 58.715 58.200 -0.266 0.000 0.953 524 S CB -0.183 62.693 63.200 -0.540 0.000 0.754 524 S HN 0.478 nan 8.310 nan 0.000 0.529 525 G N -0.362 108.382 108.800 -0.094 0.000 3.502 525 G HA2 0.567 4.526 3.960 -0.001 0.000 0.267 525 G HA3 0.567 4.526 3.960 -0.001 0.000 0.267 525 G C 1.115 175.999 174.900 -0.027 0.000 1.090 525 G CA 0.169 45.220 45.100 -0.081 0.000 0.795 525 G HN 0.583 nan 8.290 nan 0.000 0.535 526 A N 0.737 123.568 122.820 0.018 0.000 1.940 526 A HA -0.012 4.307 4.320 -0.001 0.000 0.219 526 A C 2.234 179.826 177.584 0.013 0.000 1.176 526 A CA 1.112 53.168 52.037 0.031 0.000 0.631 526 A CB -0.258 18.776 19.000 0.056 0.000 0.814 526 A HN 0.325 nan 8.150 nan 0.000 0.446 527 L N 0.040 121.254 121.223 -0.015 0.000 2.042 527 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 527 L C 1.950 178.826 176.870 0.011 0.000 1.076 527 L CA 2.222 57.048 54.840 -0.024 0.000 0.749 527 L CB -1.101 40.919 42.059 -0.064 0.000 0.893 527 L HN 0.380 nan 8.230 nan 0.000 0.432 528 D N -1.324 119.082 120.400 0.010 0.000 2.117 528 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 528 D C 2.294 178.623 176.300 0.049 0.000 0.987 528 D CA 1.083 55.096 54.000 0.022 0.000 0.829 528 D CB 0.081 40.884 40.800 0.006 0.000 0.961 528 D HN 0.080 nan 8.370 nan 0.000 0.460 529 V N 0.508 120.452 119.914 0.049 0.000 2.358 529 V HA -0.190 3.930 4.120 -0.001 0.000 0.246 529 V C 2.344 178.508 176.094 0.117 0.000 1.047 529 V CA 1.089 63.432 62.300 0.071 0.000 1.035 529 V CB -0.360 31.491 31.823 0.046 0.000 0.658 529 V HN 0.264 nan 8.190 nan 0.000 0.452 530 I N -0.122 120.512 120.570 0.107 0.000 2.179 530 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 530 I C 2.749 179.002 176.117 0.227 0.000 1.088 530 I CA 1.929 63.332 61.300 0.172 0.000 1.357 530 I CB -0.421 37.660 38.000 0.136 0.000 1.051 530 I HN 0.241 nan 8.210 nan 0.000 0.409 531 R N 1.255 121.846 120.500 0.152 0.000 2.070 531 R HA -0.180 4.160 4.340 -0.001 0.000 0.233 531 R C 2.217 178.595 176.300 0.131 0.000 1.137 531 R CA 1.951 58.134 56.100 0.138 0.000 0.945 531 R CB -0.173 30.175 30.300 0.079 0.000 0.845 531 R HN 0.330 nan 8.270 nan 0.000 0.430 532 N N 0.271 119.043 118.700 0.120 0.000 2.069 532 N HA -0.225 4.515 4.740 -0.001 0.000 0.191 532 N C 1.589 177.178 175.510 0.131 0.000 1.031 532 N CA 1.563 54.676 53.050 0.104 0.000 0.852 532 N CB -0.550 37.995 38.487 0.097 0.000 1.018 532 N HN 0.252 nan 8.380 nan 0.000 0.423 533 F N 1.875 121.848 119.950 0.037 0.000 2.171 533 F HA -0.146 4.381 4.527 -0.001 0.000 0.300 533 F C 2.183 178.000 175.800 0.028 0.000 1.090 533 F CA 1.200 59.219 58.000 0.031 0.000 1.293 533 F CB -0.338 38.683 39.000 0.035 0.000 1.013 533 F HN -0.063 nan 8.300 nan 0.000 0.486 534 T N 1.058 115.649 114.554 0.062 0.000 2.867 534 T HA -0.082 4.268 4.350 -0.001 0.000 0.268 534 T C 1.757 176.395 174.700 -0.105 0.000 1.057 534 T CA 1.359 63.428 62.100 -0.053 0.000 1.136 534 T CB -0.271 68.674 68.868 0.128 0.000 0.874 534 T HN 0.236 nan 8.240 nan 0.000 0.466 535 L N 0.674 121.871 121.223 -0.042 0.000 2.607 535 L HA 0.175 4.514 4.340 -0.001 0.000 0.228 535 L C -0.005 176.826 176.870 -0.065 0.000 1.123 535 L CA 0.032 54.847 54.840 -0.040 0.000 0.890 535 L CB -0.069 41.992 42.059 0.005 0.000 1.103 535 L HN 0.146 nan 8.230 nan 0.000 0.468 536 D N 0.628 120.959 120.400 -0.114 0.000 2.746 536 D HA -0.151 4.488 4.640 -0.001 0.000 0.236 536 D C -0.331 175.947 176.300 -0.036 0.000 1.129 536 D CA 0.666 54.604 54.000 -0.102 0.000 0.691 536 D CB -0.754 39.987 40.800 -0.098 0.000 1.077 536 D HN 0.097 nan 8.370 nan 0.000 0.432 537 L N 0.000 121.220 121.223 -0.004 0.000 2.949 537 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 537 L CA 0.000 54.850 54.840 0.017 0.000 0.813 537 L CB 0.000 42.073 42.059 0.024 0.000 0.961 537 L HN 0.000 nan 8.230 nan 0.000 0.502