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 1a4s_1_C DATA FIRST_RESID 1 DATA SEQUENCE AQLVDSMPSA STGSVVVTDD LNYWGGRRIK SKDGATTEPV FEPATGRVLC DATA SEQUENCE QMVPCGAEEV DQAVQSAQAA YLKWSKMAGI ERSRVMLEAA RIIRERRDNI DATA SEQUENCE AKLEVINNGK TITEAEYDID AAWQCIEYYA GLAPTLSGQH IQLPGGAFAY DATA SEQUENCE TRREPLGVCA GILAWNYPFM IAAWKCAPAL ACGNAVVFKP SPMTPVTGVI DATA SEQUENCE LAEIFHEAGV PVGLVNVVQG GAETGSLLCH HPNVAKVSFT GSVPTGKKVM DATA SEQUENCE EMSAKTVKHV TLELGGKSPL LIFKDCELEN AVRGALMANF LTQGQVCTNG DATA SEQUENCE TRVFVQREIM PQFLEEVVKR TKAIVVGDPL LTETRMGGLI SKPQLDKVLG DATA SEQUENCE FVAQAKKEGA RVLCGGEPLT PSDPKLKNGY FMSPCVLDNC RDDMTCVKEE DATA SEQUENCE IFGPVMSVLP FDTEEEVLQR ANNTTFGLAS GVFTRDISRA HRVAANLEAG DATA SEQUENCE TCYINTYSIS PVEVPFGGYK MSGFGRENGQ ATVDYYSQLK TVIVEMGDVD DATA SEQUENCE SLF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.579 177.584 -0.008 0.000 1.274 1 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 2 Q N 0.830 120.626 119.800 -0.007 0.000 2.123 2 Q HA -0.038 4.312 4.340 0.016 0.000 0.199 2 Q C 1.761 177.755 176.000 -0.011 0.000 0.966 2 Q CA 1.925 57.723 55.803 -0.008 0.000 0.845 2 Q CB -0.857 27.877 28.738 -0.007 0.000 0.907 2 Q HN 0.764 nan 8.270 nan 0.000 0.439 3 L N 1.096 122.313 121.223 -0.011 0.000 2.046 3 L HA -0.122 4.227 4.340 0.016 0.000 0.208 3 L C 2.391 179.251 176.870 -0.017 0.000 1.077 3 L CA 1.331 56.163 54.840 -0.012 0.000 0.747 3 L CB -0.578 41.475 42.059 -0.010 0.000 0.896 3 L HN 0.045 nan 8.230 nan 0.000 0.432 4 V N -0.271 119.632 119.914 -0.019 0.000 2.295 4 V HA -0.281 3.849 4.120 0.016 0.000 0.246 4 V C 2.179 178.256 176.094 -0.029 0.000 1.049 4 V CA 1.984 64.266 62.300 -0.029 0.000 1.024 4 V CB -0.775 31.028 31.823 -0.033 0.000 0.648 4 V HN 0.454 nan 8.190 nan 0.000 0.447 5 D N 0.198 120.584 120.400 -0.023 0.000 2.263 5 D HA -0.104 4.546 4.640 0.016 0.000 0.208 5 D C 2.244 178.532 176.300 -0.020 0.000 0.971 5 D CA 1.586 55.574 54.000 -0.021 0.000 0.867 5 D CB -0.123 40.667 40.800 -0.017 0.000 0.929 5 D HN 0.596 nan 8.370 nan 0.000 0.492 6 S N -0.640 115.049 115.700 -0.018 0.000 2.603 6 S HA 0.005 4.485 4.470 0.016 0.000 0.220 6 S C 1.725 176.314 174.600 -0.018 0.000 0.967 6 S CA -0.083 58.107 58.200 -0.017 0.000 0.920 6 S CB -0.061 63.131 63.200 -0.014 0.000 0.773 6 S HN -0.030 nan 8.310 nan 0.000 0.529 7 M N 1.809 121.396 119.600 -0.023 0.000 2.175 7 M HA 0.104 4.593 4.480 0.016 0.000 0.264 7 M C -1.007 175.279 176.300 -0.022 0.000 1.063 7 M CA 0.436 55.722 55.300 -0.024 0.000 1.119 7 M CB -2.481 30.100 32.600 -0.033 0.000 1.377 7 M HN 0.227 nan 8.290 nan 0.000 0.415 8 P HA -0.105 nan 4.420 nan 0.000 0.217 8 P C 1.282 178.573 177.300 -0.016 0.000 1.148 8 P CA 1.614 64.702 63.100 -0.020 0.000 0.828 8 P CB -0.213 31.475 31.700 -0.020 0.000 0.783 9 S N -2.768 112.923 115.700 -0.015 0.000 2.557 9 S HA 0.465 4.944 4.470 0.016 0.000 0.223 9 S C 0.770 175.362 174.600 -0.012 0.000 0.969 9 S CA -0.376 57.816 58.200 -0.013 0.000 0.927 9 S CB -0.482 62.711 63.200 -0.012 0.000 0.806 9 S HN 0.056 nan 8.310 nan 0.000 0.489 10 A N 1.580 124.392 122.820 -0.013 0.000 2.264 10 A HA 0.857 5.187 4.320 0.016 0.000 0.304 10 A C 0.325 177.903 177.584 -0.011 0.000 1.100 10 A CA -0.192 51.838 52.037 -0.012 0.000 0.839 10 A CB 1.089 20.081 19.000 -0.013 0.000 1.121 10 A HN 1.056 nan 8.150 nan 0.000 0.496 11 S N -0.775 114.920 115.700 -0.009 0.000 2.656 11 S HA 0.610 5.090 4.470 0.016 0.000 0.273 11 S C -0.370 174.227 174.600 -0.004 0.000 1.168 11 S CA -0.462 57.734 58.200 -0.007 0.000 0.817 11 S CB 0.654 63.850 63.200 -0.007 0.000 1.146 11 S HN 0.790 nan 8.310 nan 0.000 0.475 12 T N 1.435 115.989 114.554 -0.001 0.000 2.928 12 T HA 0.486 4.845 4.350 0.016 0.000 0.305 12 T C 1.534 176.235 174.700 0.001 0.000 1.035 12 T CA 1.342 63.444 62.100 0.003 0.000 1.145 12 T CB -0.005 68.870 68.868 0.013 0.000 0.963 12 T HN 2.008 nan 8.240 nan 0.000 0.545 13 G N 2.018 110.817 108.800 -0.001 0.000 2.179 13 G HA2 -0.335 3.634 3.960 0.016 0.000 0.260 13 G HA3 -0.335 3.634 3.960 0.016 0.000 0.260 13 G C 1.126 176.024 174.900 -0.003 0.000 0.977 13 G CA 0.958 46.057 45.100 -0.002 0.000 0.641 13 G HN 1.013 nan 8.290 nan 0.000 0.533 14 S N -1.241 114.456 115.700 -0.005 0.000 2.497 14 S HA 0.530 5.010 4.470 0.016 0.000 0.218 14 S C 0.953 175.549 174.600 -0.007 0.000 1.023 14 S CA 0.801 58.998 58.200 -0.006 0.000 0.913 14 S CB 0.569 63.765 63.200 -0.007 0.000 0.800 14 S HN 0.798 nan 8.310 nan 0.000 0.505 15 V N 1.891 121.800 119.914 -0.008 0.000 2.686 15 V HA 0.624 4.753 4.120 0.016 0.000 0.295 15 V C -0.079 176.008 176.094 -0.011 0.000 1.057 15 V CA -0.508 61.786 62.300 -0.009 0.000 1.012 15 V CB 1.499 33.317 31.823 -0.009 0.000 1.006 15 V HN 0.327 nan 8.190 nan 0.000 0.477 16 V N 5.193 125.100 119.914 -0.013 0.000 2.789 16 V HA 0.607 4.736 4.120 0.016 0.000 0.311 16 V C -0.717 175.367 176.094 -0.016 0.000 1.073 16 V CA -0.382 61.908 62.300 -0.017 0.000 0.921 16 V CB 2.440 34.254 31.823 -0.016 0.000 1.009 16 V HN 0.597 nan 8.190 nan 0.000 0.426 17 V N 5.709 125.611 119.914 -0.019 0.000 2.394 17 V HA 0.436 4.566 4.120 0.016 0.000 0.282 17 V C 0.971 177.055 176.094 -0.017 0.000 1.031 17 V CA 0.450 62.741 62.300 -0.015 0.000 0.881 17 V CB 1.507 33.323 31.823 -0.012 0.000 0.982 17 V HN 1.066 nan 8.190 nan 0.000 0.451 18 T N -1.025 113.520 114.554 -0.014 0.000 3.084 18 T HA 0.228 4.587 4.350 0.016 0.000 0.270 18 T C 0.196 174.888 174.700 -0.014 0.000 1.008 18 T CA -0.412 61.679 62.100 -0.015 0.000 0.900 18 T CB -0.027 68.832 68.868 -0.014 0.000 1.084 18 T HN 0.541 nan 8.240 nan 0.000 0.538 19 D N 2.583 122.977 120.400 -0.011 0.000 2.313 19 D HA 0.190 4.839 4.640 0.016 0.000 0.247 19 D C -0.463 175.830 176.300 -0.012 0.000 1.094 19 D CA -0.205 53.789 54.000 -0.010 0.000 0.925 19 D CB 0.895 41.693 40.800 -0.005 0.000 1.188 19 D HN 0.263 nan 8.370 nan 0.000 0.430 20 D N 1.091 121.480 120.400 -0.018 0.000 2.389 20 D HA 0.079 4.728 4.640 0.016 0.000 0.247 20 D C 0.980 177.274 176.300 -0.010 0.000 1.128 20 D CA -0.028 53.957 54.000 -0.025 0.000 0.884 20 D CB 1.585 42.353 40.800 -0.054 0.000 1.194 20 D HN 0.244 nan 8.370 nan 0.000 0.441 21 L N 1.608 122.831 121.223 -0.001 0.000 2.640 21 L HA 0.100 4.449 4.340 0.016 0.000 0.230 21 L C 0.615 177.508 176.870 0.038 0.000 1.123 21 L CA -0.093 54.761 54.840 0.022 0.000 0.900 21 L CB 0.014 42.093 42.059 0.033 0.000 1.146 21 L HN 0.131 nan 8.230 nan 0.000 0.484 22 N N 0.542 119.243 118.700 0.002 0.000 2.518 22 N HA 0.228 4.977 4.740 0.016 0.000 0.283 22 N C -1.375 174.075 175.510 -0.100 0.000 1.119 22 N CA -0.047 53.003 53.050 -0.000 0.000 0.983 22 N CB 1.657 40.130 38.487 -0.022 0.000 1.139 22 N HN -0.044 nan 8.380 nan 0.000 0.465 23 Y N 2.032 122.233 120.300 -0.165 0.000 2.287 23 Y HA 0.400 4.959 4.550 0.015 0.000 0.325 23 Y C -1.809 174.109 175.900 0.030 0.000 1.139 23 Y CA -0.871 57.110 58.100 -0.198 0.000 1.167 23 Y CB 0.567 38.963 38.460 -0.108 0.000 1.158 23 Y HN 0.656 nan 8.280 nan 0.000 0.434 24 W N 3.256 124.325 121.300 -0.385 0.000 3.137 24 W HA 0.675 5.344 4.660 0.015 0.000 0.324 24 W C 0.369 176.668 176.519 -0.367 0.000 1.253 24 W CA -1.460 55.693 57.345 -0.320 0.000 1.183 24 W CB 0.910 30.288 29.460 -0.137 0.000 1.424 24 W HN 1.020 nan 8.180 nan 0.000 0.566 25 G N 0.477 109.290 108.800 0.023 0.000 2.176 25 G HA2 0.238 4.207 3.960 0.016 0.000 0.252 25 G HA3 0.238 4.207 3.960 0.016 0.000 0.252 25 G C 1.047 175.807 174.900 -0.234 0.000 1.024 25 G CA 1.052 46.127 45.100 -0.042 0.000 0.755 25 G HN 2.669 nan 8.290 nan 0.000 0.507 26 G N -1.121 107.394 108.800 -0.476 0.000 2.198 26 G HA2 0.045 4.014 3.960 0.016 0.000 0.260 26 G HA3 0.045 4.014 3.960 0.016 0.000 0.260 26 G C 0.211 174.689 174.900 -0.703 0.000 1.025 26 G CA 1.413 46.075 45.100 -0.730 0.000 0.769 26 G HN 2.276 nan 8.290 nan 0.000 0.507 27 R N -2.235 117.663 120.500 -1.004 0.000 2.664 27 R HA 0.631 4.980 4.340 0.016 0.000 0.266 27 R C -0.389 175.573 176.300 -0.563 0.000 1.046 27 R CA -1.272 54.480 56.100 -0.578 0.000 0.885 27 R CB 1.011 31.118 30.300 -0.321 0.000 1.254 27 R HN 0.125 nan 8.270 nan 0.000 0.465 28 R N 1.451 121.860 120.500 -0.153 0.000 2.491 28 R HA 0.249 4.598 4.340 0.016 0.000 0.283 28 R C -0.061 176.077 176.300 -0.270 0.000 1.072 28 R CA -0.311 55.731 56.100 -0.098 0.000 1.048 28 R CB 0.459 30.768 30.300 0.015 0.000 0.983 28 R HN 0.351 nan 8.270 nan 0.000 0.450 29 I N 3.339 123.683 120.570 -0.376 0.000 2.315 29 I HA 0.151 4.331 4.170 0.016 0.000 0.291 29 I C 0.221 176.197 176.117 -0.234 0.000 1.006 29 I CA -0.858 60.179 61.300 -0.439 0.000 1.265 29 I CB 1.171 38.675 38.000 -0.828 0.000 1.387 29 I HN 0.376 nan 8.210 nan 0.000 0.475 30 K N 4.519 124.821 120.400 -0.164 0.000 2.402 30 K HA 0.100 4.429 4.320 0.016 0.000 0.285 30 K C 0.463 177.024 176.600 -0.064 0.000 1.054 30 K CA -0.024 56.207 56.287 -0.092 0.000 1.001 30 K CB 0.322 32.781 32.500 -0.068 0.000 0.946 30 K HN 0.731 nan 8.250 nan 0.000 0.473 31 S N 2.556 118.231 115.700 -0.041 0.000 2.576 31 S HA 0.278 4.757 4.470 0.016 0.000 0.272 31 S C 0.123 174.724 174.600 0.001 0.000 1.352 31 S CA -0.455 57.740 58.200 -0.008 0.000 1.021 31 S CB 1.091 64.291 63.200 0.001 0.000 0.887 31 S HN 0.554 nan 8.310 nan 0.000 0.542 32 K N -0.672 119.739 120.400 0.018 0.000 2.644 32 K HA 0.395 4.725 4.320 0.016 0.000 0.284 32 K C -0.575 176.042 176.600 0.028 0.000 1.023 32 K CA 0.376 56.675 56.287 0.019 0.000 0.809 32 K CB 0.630 33.141 32.500 0.018 0.000 1.504 32 K HN 0.701 nan 8.250 nan 0.000 0.365 33 D N -1.292 119.123 120.400 0.026 0.000 2.265 33 D HA -0.145 4.505 4.640 0.016 0.000 0.165 33 D C 0.401 176.715 176.300 0.023 0.000 1.190 33 D CA 2.937 56.954 54.000 0.028 0.000 1.121 33 D CB -1.310 39.512 40.800 0.037 0.000 1.158 33 D HN 1.135 nan 8.370 nan 0.000 0.481 34 G N 0.201 109.013 108.800 0.021 0.000 2.295 34 G HA2 0.076 4.045 3.960 0.016 0.000 0.287 34 G HA3 0.076 4.045 3.960 0.016 0.000 0.287 34 G C 0.473 175.386 174.900 0.022 0.000 1.055 34 G CA 0.964 46.075 45.100 0.018 0.000 0.922 34 G HN 1.413 nan 8.290 nan 0.000 0.503 35 A N 0.056 122.893 122.820 0.028 0.000 2.483 35 A HA 0.594 4.924 4.320 0.016 0.000 0.238 35 A C 1.156 178.757 177.584 0.027 0.000 1.070 35 A CA 0.990 53.046 52.037 0.031 0.000 0.770 35 A CB 0.231 19.256 19.000 0.041 0.000 1.008 35 A HN 1.132 nan 8.150 nan 0.000 0.497 36 T N 2.819 117.389 114.554 0.027 0.000 2.792 36 T HA 0.317 4.676 4.350 0.016 0.000 0.286 36 T C 1.030 175.746 174.700 0.026 0.000 0.970 36 T CA 0.823 62.937 62.100 0.025 0.000 1.187 36 T CB -0.479 68.404 68.868 0.026 0.000 0.915 36 T HN 0.944 nan 8.240 nan 0.000 0.529 37 T N 1.568 116.133 114.554 0.018 0.000 2.824 37 T HA 0.542 4.901 4.350 0.016 0.000 0.277 37 T C -0.431 174.276 174.700 0.012 0.000 0.975 37 T CA -1.014 61.094 62.100 0.014 0.000 0.966 37 T CB 1.096 69.965 68.868 0.002 0.000 1.054 37 T HN 0.433 nan 8.240 nan 0.000 0.533 38 E N 1.112 121.314 120.200 0.003 0.000 2.314 38 E HA 0.427 4.786 4.350 0.016 0.000 0.272 38 E C -2.841 173.725 176.600 -0.056 0.000 0.884 38 E CA -2.343 54.056 56.400 -0.001 0.000 0.753 38 E CB 2.136 31.852 29.700 0.027 0.000 1.213 38 E HN 0.495 nan 8.360 nan 0.000 0.432 39 P HA 0.109 nan 4.420 nan 0.000 0.275 39 P C -0.315 176.721 177.300 -0.441 0.000 1.227 39 P CA -0.415 62.483 63.100 -0.336 0.000 0.781 39 P CB 1.035 32.454 31.700 -0.468 0.000 0.906 40 V N 3.465 123.085 119.914 -0.490 0.000 2.487 40 V HA 0.597 4.726 4.120 0.016 0.000 0.298 40 V C -1.319 174.528 176.094 -0.412 0.000 1.028 40 V CA -0.721 61.396 62.300 -0.305 0.000 0.860 40 V CB 0.418 32.184 31.823 -0.096 0.000 0.991 40 V HN 0.213 nan 8.190 nan 0.000 0.427 41 F N 3.141 123.111 119.950 0.033 0.000 2.483 41 F HA 0.578 5.114 4.527 0.015 0.000 0.329 41 F C 0.499 176.299 175.800 0.000 0.000 1.064 41 F CA -0.598 57.424 58.000 0.037 0.000 0.986 41 F CB 1.641 40.719 39.000 0.130 0.000 1.218 41 F HN 0.628 nan 8.300 nan 0.000 0.484 42 E N 3.259 123.553 120.200 0.158 0.000 2.081 42 E HA 0.262 4.621 4.350 0.016 0.000 0.281 42 E C -2.099 174.442 176.600 -0.098 0.000 0.986 42 E CA -1.934 54.483 56.400 0.028 0.000 0.796 42 E CB 1.283 30.981 29.700 -0.002 0.000 1.085 42 E HN 0.240 nan 8.360 nan 0.000 0.398 43 P HA -0.111 nan 4.420 nan 0.000 0.218 43 P C 0.740 177.730 177.300 -0.517 0.000 1.149 43 P CA 1.101 64.014 63.100 -0.313 0.000 0.817 43 P CB 0.246 31.878 31.700 -0.114 0.000 0.785 44 A N -0.742 121.899 122.820 -0.299 0.000 2.067 44 A HA -0.105 4.225 4.320 0.016 0.000 0.219 44 A C 1.989 179.531 177.584 -0.069 0.000 1.158 44 A CA 2.285 54.217 52.037 -0.175 0.000 0.661 44 A CB -1.355 17.661 19.000 0.027 0.000 0.801 44 A HN 0.363 nan 8.150 nan 0.000 0.452 45 T N -7.281 107.174 114.554 -0.166 0.000 2.966 45 T HA 0.434 4.794 4.350 0.016 0.000 0.254 45 T C 1.411 176.008 174.700 -0.172 0.000 0.961 45 T CA 1.076 63.120 62.100 -0.095 0.000 0.915 45 T CB 0.322 69.167 68.868 -0.037 0.000 1.186 45 T HN 1.687 nan 8.240 nan 0.000 0.505 46 G N 2.097 110.704 108.800 -0.323 0.000 2.176 46 G HA2 -0.237 3.733 3.960 0.016 0.000 0.253 46 G HA3 -0.237 3.733 3.960 0.016 0.000 0.253 46 G C 0.161 175.115 174.900 0.090 0.000 0.979 46 G CA -0.045 44.898 45.100 -0.260 0.000 0.641 46 G HN 0.741 nan 8.290 nan 0.000 0.530 47 R N -0.330 120.214 120.500 0.073 0.000 2.679 47 R HA 0.491 4.840 4.340 0.016 0.000 0.269 47 R C 0.350 176.737 176.300 0.145 0.000 1.076 47 R CA -0.390 55.772 56.100 0.104 0.000 1.160 47 R CB 1.106 31.427 30.300 0.035 0.000 1.054 47 R HN 0.064 nan 8.270 nan 0.000 0.507 48 V N 4.213 124.152 119.914 0.042 0.000 2.432 48 V HA 0.029 4.158 4.120 0.016 0.000 0.271 48 V C 1.303 177.335 176.094 -0.104 0.000 1.046 48 V CA 0.104 62.316 62.300 -0.147 0.000 0.945 48 V CB 1.072 32.785 31.823 -0.184 0.000 0.992 48 V HN 0.686 nan 8.190 nan 0.000 0.471 49 L N 4.517 125.665 121.223 -0.124 0.000 2.249 49 L HA 0.170 4.520 4.340 0.016 0.000 0.207 49 L C 0.856 177.682 176.870 -0.074 0.000 1.090 49 L CA 0.749 55.547 54.840 -0.070 0.000 0.802 49 L CB 0.189 42.221 42.059 -0.045 0.000 0.947 49 L HN 0.927 nan 8.230 nan 0.000 0.453 50 C N -4.111 115.123 119.300 -0.111 0.000 3.056 50 C HA 0.361 4.831 4.460 0.016 0.000 0.336 50 C C -1.569 173.353 174.990 -0.114 0.000 1.356 50 C CA -1.234 57.732 59.018 -0.087 0.000 1.216 50 C CB 1.262 28.971 27.740 -0.052 0.000 1.391 50 C HN 0.056 nan 8.230 nan 0.000 0.445 51 Q N 1.071 120.825 119.800 -0.077 0.000 2.274 51 Q HA 0.616 4.965 4.340 0.016 0.000 0.260 51 Q C -0.512 175.466 176.000 -0.037 0.000 0.974 51 Q CA -0.305 55.455 55.803 -0.071 0.000 0.876 51 Q CB 1.941 30.649 28.738 -0.049 0.000 1.297 51 Q HN 0.914 nan 8.270 nan 0.000 0.446 52 M N 0.538 120.123 119.600 -0.025 0.000 2.264 52 M HA 0.459 4.949 4.480 0.016 0.000 0.352 52 M C -1.023 175.289 176.300 0.021 0.000 1.173 52 M CA -0.632 54.673 55.300 0.008 0.000 1.075 52 M CB 1.378 33.992 32.600 0.023 0.000 1.621 52 M HN 0.205 nan 8.290 nan 0.000 0.457 53 V N 6.754 126.688 119.914 0.033 0.000 2.313 53 V HA 0.695 4.825 4.120 0.016 0.000 0.278 53 V C -2.470 173.664 176.094 0.067 0.000 1.017 53 V CA -1.921 60.405 62.300 0.042 0.000 0.823 53 V CB 1.145 32.988 31.823 0.034 0.000 1.010 53 V HN 0.967 nan 8.190 nan 0.000 0.443 54 P HA 0.237 nan 4.420 nan 0.000 0.272 54 P C -0.420 176.936 177.300 0.094 0.000 1.223 54 P CA -0.170 62.979 63.100 0.082 0.000 0.784 54 P CB 0.903 32.645 31.700 0.070 0.000 0.923 55 C N 1.959 121.321 119.300 0.104 0.000 2.401 55 C HA 0.673 5.142 4.460 0.016 0.000 0.365 55 C C 1.387 176.419 174.990 0.070 0.000 1.250 55 C CA 0.105 59.186 59.018 0.105 0.000 2.131 55 C CB 0.650 28.456 27.740 0.109 0.000 2.445 55 C HN 0.725 nan 8.230 nan 0.000 0.550 56 G N 0.990 109.827 108.800 0.061 0.000 2.671 56 G HA2 0.515 4.485 3.960 0.016 0.000 0.275 56 G HA3 0.515 4.485 3.960 0.016 0.000 0.275 56 G C 0.924 175.842 174.900 0.029 0.000 1.368 56 G CA 0.276 45.404 45.100 0.047 0.000 1.044 56 G HN 0.920 nan 8.290 nan 0.000 0.543 57 A N -0.648 122.190 122.820 0.030 0.000 1.908 57 A HA -0.043 4.286 4.320 0.016 0.000 0.218 57 A C 2.123 179.713 177.584 0.010 0.000 1.181 57 A CA 2.370 54.424 52.037 0.027 0.000 0.627 57 A CB -0.560 18.455 19.000 0.025 0.000 0.818 57 A HN 0.593 nan 8.150 nan 0.000 0.445 58 E N 0.284 120.489 120.200 0.007 0.000 2.077 58 E HA -0.147 4.212 4.350 0.016 0.000 0.193 58 E C 1.818 178.387 176.600 -0.052 0.000 0.989 58 E CA 1.565 57.965 56.400 -0.001 0.000 0.800 58 E CB -0.348 29.369 29.700 0.028 0.000 0.746 58 E HN 0.710 nan 8.360 nan 0.000 0.452 59 E N 0.220 120.388 120.200 -0.054 0.000 2.046 59 E HA -0.083 4.276 4.350 0.016 0.000 0.190 59 E C 2.100 178.391 176.600 -0.515 0.000 0.982 59 E CA 0.826 57.114 56.400 -0.187 0.000 0.800 59 E CB -0.202 29.521 29.700 0.039 0.000 0.756 59 E HN 0.045 nan 8.360 nan 0.000 0.449 60 V N 1.294 121.043 119.914 -0.275 0.000 2.392 60 V HA -0.277 3.853 4.120 0.016 0.000 0.249 60 V C 1.968 177.874 176.094 -0.313 0.000 1.059 60 V CA 2.156 64.293 62.300 -0.272 0.000 1.051 60 V CB -0.503 31.267 31.823 -0.088 0.000 0.658 60 V HN 0.301 nan 8.190 nan 0.000 0.455 61 D N -0.712 119.589 120.400 -0.164 0.000 2.144 61 D HA -0.187 4.463 4.640 0.016 0.000 0.200 61 D C 2.236 178.406 176.300 -0.217 0.000 0.978 61 D CA 1.263 55.225 54.000 -0.064 0.000 0.833 61 D CB -0.039 40.815 40.800 0.091 0.000 0.961 61 D HN 0.480 nan 8.370 nan 0.000 0.470 62 Q N -0.348 119.238 119.800 -0.356 0.000 2.084 62 Q HA -0.099 4.251 4.340 0.016 0.000 0.202 62 Q C 2.252 177.850 176.000 -0.671 0.000 0.978 62 Q CA 1.388 56.928 55.803 -0.437 0.000 0.844 62 Q CB -0.188 28.298 28.738 -0.420 0.000 0.898 62 Q HN 0.372 nan 8.270 nan 0.000 0.426 63 A N 0.148 122.344 122.820 -1.041 0.000 1.883 63 A HA -0.181 4.148 4.320 0.016 0.000 0.217 63 A C 2.285 179.666 177.584 -0.338 0.000 1.186 63 A CA 1.658 53.266 52.037 -0.714 0.000 0.624 63 A CB -0.825 17.797 19.000 -0.630 0.000 0.822 63 A HN 0.242 nan 8.150 nan 0.000 0.444 64 V N -0.123 119.575 119.914 -0.361 0.000 2.358 64 V HA -0.304 3.825 4.120 0.016 0.000 0.246 64 V C 2.638 178.630 176.094 -0.170 0.000 1.047 64 V CA 2.186 64.301 62.300 -0.307 0.000 1.035 64 V CB -0.946 30.515 31.823 -0.604 0.000 0.658 64 V HN 0.633 nan 8.190 nan 0.000 0.452 65 Q N -0.202 119.512 119.800 -0.143 0.000 2.084 65 Q HA -0.215 4.134 4.340 0.016 0.000 0.202 65 Q C 2.564 178.555 176.000 -0.015 0.000 0.978 65 Q CA 1.990 57.765 55.803 -0.047 0.000 0.844 65 Q CB -0.367 28.353 28.738 -0.030 0.000 0.898 65 Q HN 0.656 nan 8.270 nan 0.000 0.426 66 S N 0.488 116.173 115.700 -0.026 0.000 2.356 66 S HA -0.189 4.291 4.470 0.016 0.000 0.223 66 S C 2.092 176.720 174.600 0.047 0.000 1.032 66 S CA 1.186 59.409 58.200 0.038 0.000 1.005 66 S CB -0.259 62.993 63.200 0.086 0.000 0.867 66 S HN 0.428 nan 8.310 nan 0.000 0.449 67 A N 1.013 123.843 122.820 0.016 0.000 1.917 67 A HA -0.194 4.135 4.320 0.016 0.000 0.219 67 A C 2.199 179.828 177.584 0.074 0.000 1.182 67 A CA 2.245 54.299 52.037 0.027 0.000 0.633 67 A CB -1.205 17.781 19.000 -0.024 0.000 0.819 67 A HN 0.678 nan 8.150 nan 0.000 0.448 68 Q N -0.159 119.678 119.800 0.063 0.000 2.084 68 Q HA -0.004 4.345 4.340 0.016 0.000 0.202 68 Q C 1.986 178.092 176.000 0.176 0.000 0.978 68 Q CA 2.246 58.127 55.803 0.130 0.000 0.844 68 Q CB -0.614 28.173 28.738 0.081 0.000 0.898 68 Q HN 0.545 nan 8.270 nan 0.000 0.426 69 A N 0.146 123.034 122.820 0.114 0.000 1.930 69 A HA 0.073 4.402 4.320 0.016 0.000 0.217 69 A C 2.265 179.912 177.584 0.106 0.000 1.175 69 A CA 1.618 53.715 52.037 0.099 0.000 0.627 69 A CB -1.024 18.021 19.000 0.074 0.000 0.815 69 A HN 0.520 nan 8.150 nan 0.000 0.443 70 A N -1.445 121.443 122.820 0.113 0.000 1.929 70 A HA -0.042 4.288 4.320 0.016 0.000 0.216 70 A C 2.074 179.755 177.584 0.161 0.000 1.176 70 A CA 1.497 53.597 52.037 0.105 0.000 0.628 70 A CB -0.777 18.255 19.000 0.055 0.000 0.816 70 A HN 0.742 nan 8.150 nan 0.000 0.444 71 Y N 0.312 120.659 120.300 0.078 0.000 2.207 71 Y HA -0.203 4.356 4.550 0.014 0.000 0.287 71 Y C 1.784 177.761 175.900 0.129 0.000 1.156 71 Y CA 1.572 59.745 58.100 0.123 0.000 1.182 71 Y CB -0.371 38.139 38.460 0.084 0.000 0.979 71 Y HN 0.187 nan 8.280 nan 0.000 0.521 72 L N 0.741 121.905 121.223 -0.099 0.000 2.079 72 L HA -0.176 4.174 4.340 0.016 0.000 0.210 72 L C 2.399 179.188 176.870 -0.135 0.000 1.081 72 L CA 2.081 56.805 54.840 -0.194 0.000 0.752 72 L CB -1.264 40.777 42.059 -0.030 0.000 0.896 72 L HN 0.268 nan 8.230 nan 0.000 0.433 73 K N -1.203 119.188 120.400 -0.016 0.000 2.021 73 K HA -0.192 4.138 4.320 0.016 0.000 0.205 73 K C 2.185 178.835 176.600 0.084 0.000 1.047 73 K CA 1.278 57.587 56.287 0.038 0.000 0.943 73 K CB -0.817 31.735 32.500 0.087 0.000 0.725 73 K HN 0.360 nan 8.250 nan 0.000 0.439 74 W N 1.743 122.995 121.300 -0.079 0.000 2.358 74 W HA -0.194 4.476 4.660 0.017 0.000 0.303 74 W C 1.680 178.153 176.519 -0.077 0.000 1.208 74 W CA 2.003 59.316 57.345 -0.052 0.000 1.274 74 W CB -0.259 29.194 29.460 -0.012 0.000 1.138 74 W HN 0.335 nan 8.180 nan 0.000 0.515 75 S N 0.335 115.987 115.700 -0.080 0.000 2.474 75 S HA -0.129 4.351 4.470 0.016 0.000 0.235 75 S C 1.309 175.792 174.600 -0.193 0.000 0.997 75 S CA 0.943 59.023 58.200 -0.199 0.000 0.949 75 S CB -0.256 62.703 63.200 -0.401 0.000 0.766 75 S HN -0.008 nan 8.310 nan 0.000 0.517 76 K N 0.707 121.009 120.400 -0.164 0.000 2.444 76 K HA 0.405 4.735 4.320 0.016 0.000 0.193 76 K C 0.246 176.766 176.600 -0.132 0.000 1.024 76 K CA 0.088 56.301 56.287 -0.123 0.000 1.077 76 K CB -0.252 32.197 32.500 -0.085 0.000 0.833 76 K HN 0.525 nan 8.250 nan 0.000 0.517 77 M N 0.521 120.000 119.600 -0.202 0.000 2.233 77 M HA 0.310 4.800 4.480 0.016 0.000 0.355 77 M C 0.234 176.372 176.300 -0.269 0.000 1.191 77 M CA -0.596 54.563 55.300 -0.234 0.000 1.101 77 M CB 1.532 33.950 32.600 -0.303 0.000 1.592 77 M HN -0.039 nan 8.290 nan 0.000 0.461 78 A N 2.348 125.057 122.820 -0.185 0.000 2.327 78 A HA 0.498 4.828 4.320 0.016 0.000 0.255 78 A C 1.331 178.804 177.584 -0.185 0.000 1.099 78 A CA 0.110 52.053 52.037 -0.156 0.000 0.801 78 A CB -0.257 18.684 19.000 -0.099 0.000 1.062 78 A HN 1.048 nan 8.150 nan 0.000 0.496 79 G N -0.310 108.409 108.800 -0.135 0.000 2.440 79 G HA2 -0.201 3.769 3.960 0.016 0.000 0.218 79 G HA3 -0.201 3.769 3.960 0.016 0.000 0.218 79 G C 1.317 176.160 174.900 -0.095 0.000 1.154 79 G CA 1.340 46.369 45.100 -0.119 0.000 0.767 79 G HN 0.696 nan 8.290 nan 0.000 0.552 80 I N 0.565 121.091 120.570 -0.073 0.000 2.493 80 I HA -0.074 4.106 4.170 0.016 0.000 0.254 80 I C 2.616 178.703 176.117 -0.050 0.000 1.160 80 I CA 1.259 62.530 61.300 -0.048 0.000 1.445 80 I CB 0.014 37.992 38.000 -0.037 0.000 1.086 80 I HN 0.308 nan 8.210 nan 0.000 0.433 81 E N -0.157 119.991 120.200 -0.088 0.000 2.158 81 E HA -0.132 4.227 4.350 0.016 0.000 0.191 81 E C 2.251 178.777 176.600 -0.123 0.000 0.982 81 E CA 0.595 56.943 56.400 -0.087 0.000 0.823 81 E CB -0.104 29.533 29.700 -0.104 0.000 0.766 81 E HN 0.462 nan 8.360 nan 0.000 0.468 82 R N 0.724 121.063 120.500 -0.269 0.000 2.075 82 R HA -0.068 4.282 4.340 0.016 0.000 0.232 82 R C 2.615 178.950 176.300 0.057 0.000 1.126 82 R CA 1.184 57.080 56.100 -0.340 0.000 0.963 82 R CB -0.416 29.524 30.300 -0.600 0.000 0.858 82 R HN 0.033 nan 8.270 nan 0.000 0.435 83 S N 0.700 116.414 115.700 0.024 0.000 2.359 83 S HA -0.192 4.288 4.470 0.016 0.000 0.223 83 S C 2.055 176.727 174.600 0.119 0.000 1.039 83 S CA 1.239 59.491 58.200 0.085 0.000 1.042 83 S CB -0.095 63.127 63.200 0.036 0.000 0.915 83 S HN 0.203 nan 8.310 nan 0.000 0.439 84 R N 0.385 120.937 120.500 0.087 0.000 2.103 84 R HA -0.083 4.267 4.340 0.016 0.000 0.242 84 R C 2.296 178.679 176.300 0.139 0.000 1.142 84 R CA 1.563 57.719 56.100 0.094 0.000 0.960 84 R CB -1.349 28.992 30.300 0.067 0.000 0.858 84 R HN 0.454 nan 8.270 nan 0.000 0.439 85 V N 1.055 121.089 119.914 0.200 0.000 2.307 85 V HA -0.241 3.889 4.120 0.016 0.000 0.245 85 V C 2.472 178.734 176.094 0.280 0.000 1.045 85 V CA 1.723 64.178 62.300 0.258 0.000 1.024 85 V CB -0.396 31.661 31.823 0.390 0.000 0.651 85 V HN 0.287 nan 8.190 nan 0.000 0.449 86 M N -0.845 118.955 119.600 0.333 0.000 2.159 86 M HA -0.143 4.346 4.480 0.016 0.000 0.263 86 M C 2.166 178.617 176.300 0.251 0.000 1.063 86 M CA 1.787 57.301 55.300 0.357 0.000 1.110 86 M CB -0.432 32.390 32.600 0.369 0.000 1.374 86 M HN 0.275 nan 8.290 nan 0.000 0.411 87 L N -0.230 121.106 121.223 0.190 0.000 2.046 87 L HA -0.192 4.158 4.340 0.016 0.000 0.208 87 L C 2.579 179.507 176.870 0.097 0.000 1.077 87 L CA 0.975 55.898 54.840 0.139 0.000 0.747 87 L CB -0.668 41.455 42.059 0.105 0.000 0.896 87 L HN 0.277 nan 8.230 nan 0.000 0.432 88 E N 0.272 120.529 120.200 0.095 0.000 2.110 88 E HA -0.208 4.151 4.350 0.016 0.000 0.193 88 E C 2.274 178.899 176.600 0.041 0.000 0.988 88 E CA 1.357 57.793 56.400 0.060 0.000 0.804 88 E CB -0.223 29.520 29.700 0.073 0.000 0.745 88 E HN 0.476 nan 8.360 nan 0.000 0.458 89 A N 1.597 124.455 122.820 0.064 0.000 1.877 89 A HA -0.106 4.223 4.320 0.016 0.000 0.216 89 A C 2.453 180.017 177.584 -0.033 0.000 1.186 89 A CA 2.171 54.182 52.037 -0.043 0.000 0.620 89 A CB -0.628 18.266 19.000 -0.176 0.000 0.822 89 A HN 0.276 nan 8.150 nan 0.000 0.443 90 A N -0.395 122.462 122.820 0.060 0.000 1.933 90 A HA -0.179 4.150 4.320 0.016 0.000 0.218 90 A C 2.248 179.794 177.584 -0.063 0.000 1.175 90 A CA 1.752 53.856 52.037 0.113 0.000 0.628 90 A CB -0.535 18.611 19.000 0.244 0.000 0.814 90 A HN 0.568 nan 8.150 nan 0.000 0.444 91 R N -0.206 120.244 120.500 -0.084 0.000 2.091 91 R HA -0.135 4.215 4.340 0.016 0.000 0.238 91 R C 1.902 178.113 176.300 -0.149 0.000 1.136 91 R CA 1.951 57.958 56.100 -0.155 0.000 0.959 91 R CB -0.419 29.828 30.300 -0.088 0.000 0.856 91 R HN 0.564 nan 8.270 nan 0.000 0.437 92 I N 0.420 120.938 120.570 -0.086 0.000 2.252 92 I HA -0.275 3.905 4.170 0.016 0.000 0.245 92 I C 2.182 178.254 176.117 -0.075 0.000 1.102 92 I CA 1.200 62.458 61.300 -0.069 0.000 1.385 92 I CB -0.154 37.822 38.000 -0.040 0.000 1.064 92 I HN 0.208 nan 8.210 nan 0.000 0.414 93 I N 0.150 120.690 120.570 -0.050 0.000 2.315 93 I HA -0.239 3.940 4.170 0.016 0.000 0.248 93 I C 2.707 178.773 176.117 -0.086 0.000 1.117 93 I CA 1.091 62.398 61.300 0.011 0.000 1.404 93 I CB -0.402 37.718 38.000 0.201 0.000 1.071 93 I HN 0.121 nan 8.210 nan 0.000 0.419 94 R N 0.815 121.122 120.500 -0.322 0.000 2.080 94 R HA -0.214 4.135 4.340 0.016 0.000 0.236 94 R C 2.187 178.341 176.300 -0.244 0.000 1.137 94 R CA 1.816 57.605 56.100 -0.518 0.000 0.943 94 R CB -0.365 29.457 30.300 -0.795 0.000 0.846 94 R HN 0.445 nan 8.270 nan 0.000 0.431 95 E N -0.074 120.012 120.200 -0.190 0.000 2.153 95 E HA -0.160 4.199 4.350 0.016 0.000 0.194 95 E C 1.293 177.841 176.600 -0.087 0.000 0.988 95 E CA 1.001 57.328 56.400 -0.121 0.000 0.811 95 E CB 0.097 29.739 29.700 -0.097 0.000 0.746 95 E HN 0.257 nan 8.360 nan 0.000 0.466 96 R N 0.246 120.697 120.500 -0.081 0.000 2.552 96 R HA 0.197 4.547 4.340 0.016 0.000 0.314 96 R C 1.643 177.896 176.300 -0.079 0.000 1.041 96 R CA -0.323 55.735 56.100 -0.071 0.000 1.076 96 R CB 0.357 30.619 30.300 -0.064 0.000 1.290 96 R HN -0.054 nan 8.270 nan 0.000 0.563 97 R N 1.938 122.399 120.500 -0.064 0.000 2.097 97 R HA -0.166 4.184 4.340 0.016 0.000 0.236 97 R C 0.695 176.959 176.300 -0.060 0.000 1.135 97 R CA 1.986 58.064 56.100 -0.037 0.000 0.934 97 R CB -0.164 30.150 30.300 0.024 0.000 0.846 97 R HN 0.204 nan 8.270 nan 0.000 0.431 98 D N 0.275 120.646 120.400 -0.049 0.000 2.144 98 D HA -0.131 4.519 4.640 0.016 0.000 0.199 98 D C 1.660 177.923 176.300 -0.061 0.000 0.984 98 D CA 0.968 54.939 54.000 -0.049 0.000 0.834 98 D CB -0.420 40.357 40.800 -0.039 0.000 0.955 98 D HN 0.252 nan 8.370 nan 0.000 0.465 99 N N 0.595 119.255 118.700 -0.067 0.000 2.142 99 N HA -0.035 4.714 4.740 0.016 0.000 0.186 99 N C 2.124 177.577 175.510 -0.095 0.000 1.023 99 N CA 0.355 53.364 53.050 -0.068 0.000 0.852 99 N CB -0.200 38.252 38.487 -0.059 0.000 0.998 99 N HN 0.279 nan 8.380 nan 0.000 0.424 100 I N 1.060 121.544 120.570 -0.143 0.000 2.252 100 I HA -0.208 3.972 4.170 0.016 0.000 0.245 100 I C 2.302 178.290 176.117 -0.215 0.000 1.102 100 I CA 0.848 62.008 61.300 -0.234 0.000 1.385 100 I CB -0.316 37.434 38.000 -0.417 0.000 1.064 100 I HN 0.046 nan 8.210 nan 0.000 0.414 101 A N 0.733 123.456 122.820 -0.162 0.000 1.883 101 A HA -0.261 4.068 4.320 0.016 0.000 0.217 101 A C 2.399 179.940 177.584 -0.072 0.000 1.186 101 A CA 1.770 53.743 52.037 -0.106 0.000 0.624 101 A CB -0.554 18.405 19.000 -0.068 0.000 0.822 101 A HN 0.278 nan 8.150 nan 0.000 0.444 102 K N -0.713 119.650 120.400 -0.062 0.000 2.020 102 K HA -0.132 4.197 4.320 0.016 0.000 0.212 102 K C 2.016 178.594 176.600 -0.038 0.000 1.050 102 K CA 1.610 57.873 56.287 -0.041 0.000 0.929 102 K CB -0.403 32.075 32.500 -0.037 0.000 0.714 102 K HN 0.501 nan 8.250 nan 0.000 0.443 103 L N 0.989 122.183 121.223 -0.048 0.000 2.083 103 L HA -0.232 4.118 4.340 0.016 0.000 0.209 103 L C 2.367 179.226 176.870 -0.019 0.000 1.083 103 L CA 1.574 56.395 54.840 -0.031 0.000 0.752 103 L CB -0.317 41.721 42.059 -0.036 0.000 0.899 103 L HN 0.276 nan 8.230 nan 0.000 0.433 104 E N -0.351 119.827 120.200 -0.037 0.000 2.070 104 E HA -0.222 4.138 4.350 0.016 0.000 0.197 104 E C 2.029 178.626 176.600 -0.004 0.000 1.004 104 E CA 1.917 58.310 56.400 -0.011 0.000 0.805 104 E CB -0.230 29.450 29.700 -0.034 0.000 0.744 104 E HN 0.302 nan 8.360 nan 0.000 0.451 105 V N 0.540 120.445 119.914 -0.016 0.000 2.332 105 V HA -0.283 3.847 4.120 0.016 0.000 0.248 105 V C 2.368 178.460 176.094 -0.004 0.000 1.055 105 V CA 1.991 64.284 62.300 -0.011 0.000 1.038 105 V CB -0.467 31.350 31.823 -0.011 0.000 0.651 105 V HN 0.332 nan 8.190 nan 0.000 0.450 106 I N 0.186 120.753 120.570 -0.004 0.000 2.163 106 I HA -0.310 3.870 4.170 0.016 0.000 0.243 106 I C 2.370 178.492 176.117 0.009 0.000 1.085 106 I CA 2.345 63.644 61.300 -0.001 0.000 1.347 106 I CB -0.459 37.539 38.000 -0.003 0.000 1.044 106 I HN 0.415 nan 8.210 nan 0.000 0.408 107 N N 0.072 118.785 118.700 0.022 0.000 2.250 107 N HA -0.183 4.566 4.740 0.016 0.000 0.181 107 N C 1.832 177.374 175.510 0.053 0.000 1.017 107 N CA 0.784 53.859 53.050 0.042 0.000 0.866 107 N CB 0.081 38.601 38.487 0.055 0.000 0.985 107 N HN 0.307 nan 8.380 nan 0.000 0.429 108 N N -0.227 118.501 118.700 0.047 0.000 2.402 108 N HA -0.023 4.727 4.740 0.016 0.000 0.174 108 N C 1.128 176.656 175.510 0.030 0.000 1.027 108 N CA 1.503 54.590 53.050 0.063 0.000 0.891 108 N CB 0.552 39.077 38.487 0.063 0.000 1.016 108 N HN 0.362 nan 8.380 nan 0.000 0.439 109 G N 1.340 110.139 108.800 -0.002 0.000 2.213 109 G HA2 -0.272 3.697 3.960 0.016 0.000 0.226 109 G HA3 -0.272 3.697 3.960 0.016 0.000 0.226 109 G C 0.027 174.913 174.900 -0.024 0.000 0.992 109 G CA 0.479 45.561 45.100 -0.029 0.000 0.632 109 G HN 0.734 nan 8.290 nan 0.000 0.511 110 K N 1.220 121.604 120.400 -0.027 0.000 2.180 110 K HA 0.549 4.879 4.320 0.016 0.000 0.251 110 K C 0.875 177.468 176.600 -0.013 0.000 1.014 110 K CA 0.248 56.514 56.287 -0.035 0.000 0.913 110 K CB 0.361 32.805 32.500 -0.093 0.000 1.008 110 K HN 0.471 nan 8.250 nan 0.000 0.490 111 T N -0.506 114.050 114.554 0.002 0.000 2.856 111 T HA 0.073 4.433 4.350 0.016 0.000 0.306 111 T C 1.384 176.095 174.700 0.019 0.000 1.062 111 T CA -0.430 61.681 62.100 0.018 0.000 1.083 111 T CB 0.151 69.037 68.868 0.030 0.000 0.984 111 T HN 0.556 nan 8.240 nan 0.000 0.542 112 I N 0.596 121.178 120.570 0.019 0.000 2.394 112 I HA -0.006 4.174 4.170 0.016 0.000 0.251 112 I C 2.540 178.680 176.117 0.038 0.000 1.136 112 I CA 0.917 62.226 61.300 0.015 0.000 1.425 112 I CB -1.941 36.060 38.000 0.002 0.000 1.079 112 I HN 0.693 nan 8.210 nan 0.000 0.425 113 T N 0.766 115.355 114.554 0.058 0.000 2.684 113 T HA -0.195 4.164 4.350 0.016 0.000 0.267 113 T C 1.794 176.626 174.700 0.219 0.000 1.036 113 T CA 2.033 64.201 62.100 0.114 0.000 1.148 113 T CB -0.339 68.597 68.868 0.115 0.000 0.863 113 T HN 0.521 nan 8.240 nan 0.000 0.436 114 E N 0.686 120.980 120.200 0.158 0.000 2.152 114 E HA 0.070 4.430 4.350 0.016 0.000 0.192 114 E C 2.551 179.251 176.600 0.167 0.000 0.983 114 E CA 0.687 57.197 56.400 0.183 0.000 0.818 114 E CB -0.155 29.578 29.700 0.055 0.000 0.758 114 E HN 0.474 nan 8.360 nan 0.000 0.467 115 A N 1.499 124.363 122.820 0.074 0.000 1.930 115 A HA -0.219 4.110 4.320 0.016 0.000 0.217 115 A C 1.858 179.467 177.584 0.042 0.000 1.175 115 A CA 1.268 53.326 52.037 0.036 0.000 0.627 115 A CB -0.337 18.660 19.000 -0.006 0.000 0.815 115 A HN 0.155 nan 8.150 nan 0.000 0.443 116 E N -1.239 118.973 120.200 0.021 0.000 2.110 116 E HA -0.221 4.139 4.350 0.016 0.000 0.193 116 E C 1.718 178.289 176.600 -0.048 0.000 0.988 116 E CA 1.546 57.920 56.400 -0.042 0.000 0.804 116 E CB -0.343 29.287 29.700 -0.117 0.000 0.745 116 E HN 0.826 nan 8.360 nan 0.000 0.458 117 Y N 1.364 121.677 120.300 0.023 0.000 2.200 117 Y HA -0.183 4.376 4.550 0.015 0.000 0.290 117 Y C 2.056 177.967 175.900 0.019 0.000 1.137 117 Y CA 1.199 59.309 58.100 0.018 0.000 1.163 117 Y CB -0.121 38.353 38.460 0.023 0.000 0.988 117 Y HN -0.005 nan 8.280 nan 0.000 0.518 118 D N -0.131 120.389 120.400 0.200 0.000 2.123 118 D HA -0.164 4.486 4.640 0.016 0.000 0.196 118 D C 2.006 178.374 176.300 0.115 0.000 0.992 118 D CA 1.287 55.374 54.000 0.146 0.000 0.833 118 D CB -0.198 40.687 40.800 0.141 0.000 0.954 118 D HN 0.201 nan 8.370 nan 0.000 0.455 119 I N 0.961 121.587 120.570 0.094 0.000 2.500 119 I HA -0.126 4.054 4.170 0.016 0.000 0.252 119 I C 1.618 177.820 176.117 0.142 0.000 1.142 119 I CA 0.913 62.283 61.300 0.117 0.000 1.451 119 I CB -0.907 37.087 38.000 -0.010 0.000 1.093 119 I HN -0.088 nan 8.210 nan 0.000 0.430 120 D N 1.433 121.851 120.400 0.028 0.000 2.117 120 D HA -0.102 4.548 4.640 0.016 0.000 0.197 120 D C 2.326 178.315 176.300 -0.518 0.000 0.987 120 D CA 1.605 55.428 54.000 -0.295 0.000 0.829 120 D CB -0.015 40.696 40.800 -0.149 0.000 0.961 120 D HN 0.261 nan 8.370 nan 0.000 0.460 121 A N 1.018 123.748 122.820 -0.150 0.000 1.908 121 A HA -0.137 4.193 4.320 0.016 0.000 0.218 121 A C 2.316 179.945 177.584 0.075 0.000 1.181 121 A CA 2.514 54.537 52.037 -0.023 0.000 0.627 121 A CB -0.837 18.241 19.000 0.131 0.000 0.818 121 A HN 0.247 nan 8.150 nan 0.000 0.445 122 A N 0.104 122.994 122.820 0.117 0.000 1.865 122 A HA -0.190 4.140 4.320 0.016 0.000 0.217 122 A C 2.194 179.943 177.584 0.275 0.000 1.191 122 A CA 1.748 53.922 52.037 0.229 0.000 0.623 122 A CB -1.149 18.082 19.000 0.385 0.000 0.826 122 A HN 1.058 nan 8.150 nan 0.000 0.444 123 W N -0.370 121.064 121.300 0.222 0.000 2.418 123 W HA -0.113 4.557 4.660 0.015 0.000 0.292 123 W C 1.590 178.213 176.519 0.173 0.000 1.213 123 W CA 1.027 58.475 57.345 0.171 0.000 1.283 123 W CB -0.893 28.640 29.460 0.122 0.000 1.119 123 W HN 0.380 nan 8.180 nan 0.000 0.542 124 Q N 0.777 120.403 119.800 -0.289 0.000 2.124 124 Q HA -0.179 4.170 4.340 0.016 0.000 0.202 124 Q C 2.543 178.592 176.000 0.081 0.000 0.977 124 Q CA 2.114 57.784 55.803 -0.221 0.000 0.850 124 Q CB -0.730 27.700 28.738 -0.514 0.000 0.901 124 Q HN 0.400 nan 8.270 nan 0.000 0.429 125 C N 0.593 119.976 119.300 0.138 0.000 2.429 125 C HA -0.118 4.351 4.460 0.016 0.000 0.277 125 C C 2.620 177.842 174.990 0.386 0.000 1.262 125 C CA 0.438 59.602 59.018 0.242 0.000 1.733 125 C CB -0.990 26.955 27.740 0.341 0.000 2.010 125 C HN 0.437 nan 8.230 nan 0.000 0.483 126 I N 0.482 121.278 120.570 0.377 0.000 2.315 126 I HA -0.166 4.013 4.170 0.016 0.000 0.248 126 I C 2.608 178.940 176.117 0.359 0.000 1.117 126 I CA 1.963 63.501 61.300 0.397 0.000 1.404 126 I CB -0.605 37.614 38.000 0.366 0.000 1.071 126 I HN 0.469 nan 8.210 nan 0.000 0.419 127 E N 0.253 120.661 120.200 0.347 0.000 2.150 127 E HA -0.275 4.084 4.350 0.016 0.000 0.193 127 E C 2.157 178.884 176.600 0.211 0.000 0.985 127 E CA 1.059 57.634 56.400 0.292 0.000 0.814 127 E CB -0.098 29.830 29.700 0.380 0.000 0.752 127 E HN 0.512 nan 8.360 nan 0.000 0.466 128 Y N -0.654 119.678 120.300 0.053 0.000 2.242 128 Y HA -0.234 4.323 4.550 0.012 0.000 0.291 128 Y C 1.370 177.156 175.900 -0.190 0.000 1.137 128 Y CA 1.662 59.692 58.100 -0.117 0.000 1.181 128 Y CB -0.088 38.215 38.460 -0.261 0.000 0.989 128 Y HN 0.113 nan 8.280 nan 0.000 0.527 129 Y N -0.658 119.720 120.300 0.131 0.000 2.420 129 Y HA 0.052 4.609 4.550 0.011 0.000 0.292 129 Y C 2.525 178.440 175.900 0.026 0.000 1.119 129 Y CA 0.669 58.796 58.100 0.046 0.000 1.229 129 Y CB -0.907 37.631 38.460 0.130 0.000 1.026 129 Y HN 0.209 nan 8.280 nan 0.000 0.554 130 A N 0.329 123.271 122.820 0.204 0.000 1.892 130 A HA -0.206 4.124 4.320 0.016 0.000 0.218 130 A C 2.606 180.218 177.584 0.047 0.000 1.188 130 A CA 2.086 54.211 52.037 0.146 0.000 0.631 130 A CB -1.500 17.603 19.000 0.171 0.000 0.822 130 A HN 0.463 nan 8.150 nan 0.000 0.447 131 G N -0.769 108.017 108.800 -0.024 0.000 2.422 131 G HA2 -0.088 3.882 3.960 0.016 0.000 0.218 131 G HA3 -0.088 3.882 3.960 0.016 0.000 0.218 131 G C 1.327 176.147 174.900 -0.133 0.000 1.146 131 G CA 1.170 46.215 45.100 -0.091 0.000 0.769 131 G HN 0.369 nan 8.290 nan 0.000 0.547 132 L N 1.116 122.226 121.223 -0.190 0.000 2.291 132 L HA 0.225 4.575 4.340 0.016 0.000 0.214 132 L C 3.135 179.991 176.870 -0.025 0.000 1.120 132 L CA 1.182 55.942 54.840 -0.134 0.000 0.799 132 L CB -0.621 41.352 42.059 -0.142 0.000 0.925 132 L HN 0.269 nan 8.230 nan 0.000 0.446 133 A N 0.566 123.391 122.820 0.009 0.000 1.883 133 A HA -0.103 4.227 4.320 0.016 0.000 0.217 133 A C -0.251 177.323 177.584 -0.016 0.000 1.186 133 A CA 1.668 53.713 52.037 0.014 0.000 0.624 133 A CB -1.833 17.179 19.000 0.021 0.000 0.822 133 A HN 0.343 nan 8.150 nan 0.000 0.444 134 P HA 0.035 nan 4.420 nan 0.000 0.242 134 P C 0.967 178.252 177.300 -0.025 0.000 1.197 134 P CA 1.088 64.171 63.100 -0.029 0.000 0.765 134 P CB 0.069 31.753 31.700 -0.027 0.000 0.936 135 T N -0.857 113.684 114.554 -0.022 0.000 3.051 135 T HA 0.116 4.475 4.350 0.016 0.000 0.255 135 T C 0.561 175.259 174.700 -0.004 0.000 1.085 135 T CA -0.114 61.975 62.100 -0.018 0.000 1.109 135 T CB -0.344 68.505 68.868 -0.032 0.000 0.921 135 T HN -0.125 nan 8.240 nan 0.000 0.488 136 L N 3.541 124.766 121.223 0.004 0.000 2.578 136 L HA 0.199 4.549 4.340 0.016 0.000 0.279 136 L C 0.606 177.486 176.870 0.017 0.000 1.227 136 L CA 0.529 55.380 54.840 0.018 0.000 0.900 136 L CB -0.432 41.639 42.059 0.021 0.000 1.144 136 L HN 0.322 nan 8.230 nan 0.000 0.496 137 S N 1.066 116.782 115.700 0.027 0.000 2.595 137 S HA 0.843 5.323 4.470 0.016 0.000 0.270 137 S C -0.363 174.265 174.600 0.047 0.000 1.145 137 S CA -0.420 57.800 58.200 0.034 0.000 0.825 137 S CB 1.054 64.270 63.200 0.026 0.000 1.107 137 S HN 0.773 nan 8.310 nan 0.000 0.461 138 G N -0.091 108.749 108.800 0.067 0.000 2.857 138 G HA2 0.664 4.634 3.960 0.016 0.000 0.217 138 G HA3 0.664 4.634 3.960 0.016 0.000 0.217 138 G C -1.013 173.943 174.900 0.094 0.000 1.357 138 G CA -0.778 44.370 45.100 0.080 0.000 1.033 138 G HN 0.789 nan 8.290 nan 0.000 0.571 139 Q N -1.219 118.651 119.800 0.117 0.000 2.306 139 Q HA 0.389 4.739 4.340 0.016 0.000 0.269 139 Q C -1.222 174.908 176.000 0.218 0.000 1.053 139 Q CA -0.793 55.089 55.803 0.131 0.000 0.879 139 Q CB 2.388 31.180 28.738 0.090 0.000 1.344 139 Q HN 0.604 nan 8.270 nan 0.000 0.464 140 H N 1.044 120.181 119.070 0.112 0.000 2.658 140 H HA 0.503 5.065 4.556 0.010 0.000 0.337 140 H C -1.685 173.716 175.328 0.123 0.000 1.009 140 H CA -0.508 55.634 56.048 0.156 0.000 1.231 140 H CB 0.520 30.336 29.762 0.091 0.000 1.508 140 H HN 0.554 nan 8.280 nan 0.000 0.517 141 I N 4.468 124.927 120.570 -0.185 0.000 2.498 141 I HA 0.160 4.340 4.170 0.016 0.000 0.290 141 I C -0.293 175.759 176.117 -0.108 0.000 1.032 141 I CA -0.679 60.579 61.300 -0.070 0.000 1.073 141 I CB 2.429 40.421 38.000 -0.013 0.000 1.251 141 I HN 0.461 nan 8.210 nan 0.000 0.426 142 Q N 5.753 125.547 119.800 -0.010 0.000 2.267 142 Q HA 0.595 4.945 4.340 0.016 0.000 0.255 142 Q C -1.059 174.964 176.000 0.038 0.000 0.923 142 Q CA -0.264 55.562 55.803 0.039 0.000 0.925 142 Q CB 1.733 30.513 28.738 0.071 0.000 1.195 142 Q HN 0.480 nan 8.270 nan 0.000 0.417 143 L N 3.074 124.328 121.223 0.053 0.000 2.313 143 L HA 0.575 4.924 4.340 0.016 0.000 0.268 143 L C -2.168 174.719 176.870 0.029 0.000 1.010 143 L CA -2.605 52.251 54.840 0.027 0.000 0.814 143 L CB 1.249 43.314 42.059 0.010 0.000 1.304 143 L HN 0.413 nan 8.230 nan 0.000 0.441 144 P HA 0.112 nan 4.420 nan 0.000 0.264 144 P C 0.395 177.705 177.300 0.017 0.000 1.193 144 P CA 0.429 63.537 63.100 0.013 0.000 0.763 144 P CB 0.492 32.194 31.700 0.003 0.000 0.810 145 G N 2.336 111.148 108.800 0.020 0.000 2.182 145 G HA2 -0.008 3.962 3.960 0.016 0.000 0.248 145 G HA3 -0.008 3.962 3.960 0.016 0.000 0.248 145 G C 0.861 175.781 174.900 0.034 0.000 1.042 145 G CA 0.310 45.422 45.100 0.021 0.000 0.775 145 G HN 1.054 nan 8.290 nan 0.000 0.501 146 G N -1.498 107.332 108.800 0.050 0.000 2.253 146 G HA2 0.140 4.110 3.960 0.016 0.000 0.251 146 G HA3 0.140 4.110 3.960 0.016 0.000 0.251 146 G C 1.210 176.184 174.900 0.123 0.000 0.998 146 G CA 1.266 46.413 45.100 0.078 0.000 0.621 146 G HN 2.348 nan 8.290 nan 0.000 0.524 147 A N 0.042 122.915 122.820 0.089 0.000 2.429 147 A HA 0.721 5.051 4.320 0.016 0.000 0.242 147 A C 0.062 177.752 177.584 0.177 0.000 1.088 147 A CA 1.032 53.119 52.037 0.083 0.000 0.784 147 A CB 0.089 19.087 19.000 -0.004 0.000 1.038 147 A HN 1.829 nan 8.150 nan 0.000 0.501 148 F N -2.336 117.600 119.950 -0.023 0.000 2.626 148 F HA 0.819 5.353 4.527 0.012 0.000 0.311 148 F C -0.266 175.483 175.800 -0.085 0.000 1.088 148 F CA -0.856 57.093 58.000 -0.085 0.000 0.949 148 F CB 1.227 40.152 39.000 -0.125 0.000 1.322 148 F HN 0.779 nan 8.300 nan 0.000 0.461 149 A N 1.493 124.282 122.820 -0.053 0.000 2.384 149 A HA 0.879 5.208 4.320 0.016 0.000 0.312 149 A C -1.981 175.638 177.584 0.058 0.000 1.113 149 A CA -0.771 51.188 52.037 -0.131 0.000 0.779 149 A CB 1.210 20.133 19.000 -0.129 0.000 1.307 149 A HN 1.266 nan 8.150 nan 0.000 0.436 150 Y N -1.183 119.110 120.300 -0.012 0.000 2.524 150 Y HA 0.773 5.329 4.550 0.010 0.000 0.347 150 Y C -0.117 175.802 175.900 0.031 0.000 1.005 150 Y CA -0.722 57.418 58.100 0.067 0.000 1.025 150 Y CB 1.188 39.756 38.460 0.180 0.000 1.275 150 Y HN 0.706 nan 8.280 nan 0.000 0.460 151 T N 0.361 115.020 114.554 0.174 0.000 2.855 151 T HA 0.699 5.059 4.350 0.016 0.000 0.281 151 T C -0.648 174.158 174.700 0.176 0.000 1.007 151 T CA -1.111 61.035 62.100 0.077 0.000 1.009 151 T CB 1.480 70.372 68.868 0.040 0.000 0.983 151 T HN 0.804 nan 8.240 nan 0.000 0.455 152 R N 1.261 121.837 120.500 0.127 0.000 2.393 152 R HA 0.465 4.815 4.340 0.016 0.000 0.310 152 R C -0.073 176.275 176.300 0.079 0.000 0.968 152 R CA -0.883 55.301 56.100 0.141 0.000 0.867 152 R CB 1.778 32.167 30.300 0.148 0.000 1.124 152 R HN 0.613 nan 8.270 nan 0.000 0.450 153 R N 2.817 123.358 120.500 0.068 0.000 2.205 153 R HA 0.107 4.456 4.340 0.016 0.000 0.342 153 R C -0.665 175.664 176.300 0.049 0.000 1.058 153 R CA 0.006 56.136 56.100 0.049 0.000 0.904 153 R CB 0.585 30.911 30.300 0.044 0.000 1.089 153 R HN 0.615 nan 8.270 nan 0.000 0.471 154 E N 5.010 125.240 120.200 0.050 0.000 2.232 154 E HA 0.396 4.756 4.350 0.016 0.000 0.264 154 E C -2.341 174.303 176.600 0.073 0.000 0.973 154 E CA -2.390 54.047 56.400 0.062 0.000 0.849 154 E CB 1.745 31.483 29.700 0.063 0.000 1.198 154 E HN 0.480 nan 8.360 nan 0.000 0.407 155 P HA 0.026 nan 4.420 nan 0.000 0.274 155 P C 0.138 177.489 177.300 0.085 0.000 1.256 155 P CA -0.293 62.896 63.100 0.148 0.000 0.795 155 P CB 0.762 32.644 31.700 0.303 0.000 1.038 156 L N -0.560 120.668 121.223 0.009 0.000 2.200 156 L HA 0.322 4.671 4.340 0.016 0.000 0.200 156 L C 1.732 178.479 176.870 -0.206 0.000 1.072 156 L CA 2.036 56.809 54.840 -0.111 0.000 0.787 156 L CB -1.657 40.294 42.059 -0.179 0.000 0.957 156 L HN 0.797 nan 8.230 nan 0.000 0.459 157 G N -1.473 107.088 108.800 -0.398 0.000 2.174 157 G HA2 -0.050 3.919 3.960 0.016 0.000 0.070 157 G HA3 -0.050 3.919 3.960 0.016 0.000 0.070 157 G C -1.169 173.369 174.900 -0.605 0.000 1.120 157 G CA -0.224 44.330 45.100 -0.910 0.000 1.194 157 G HN -0.150 nan 8.290 nan 0.000 0.435 158 V N 1.308 121.014 119.914 -0.346 0.000 2.385 158 V HA 0.482 4.611 4.120 0.016 0.000 0.269 158 V C 0.238 176.288 176.094 -0.073 0.000 1.043 158 V CA -0.441 61.760 62.300 -0.165 0.000 0.906 158 V CB 0.537 32.284 31.823 -0.126 0.000 0.995 158 V HN 0.795 nan 8.190 nan 0.000 0.467 159 C N 4.787 124.084 119.300 -0.005 0.000 2.341 159 C HA 0.838 5.308 4.460 0.016 0.000 0.338 159 C C 0.766 175.809 174.990 0.088 0.000 1.257 159 C CA -0.788 58.273 59.018 0.071 0.000 1.883 159 C CB 0.571 28.426 27.740 0.193 0.000 2.334 159 C HN 0.961 nan 8.230 nan 0.000 0.524 160 A N 2.115 124.992 122.820 0.095 0.000 2.312 160 A HA 0.837 5.166 4.320 0.016 0.000 0.326 160 A C 0.088 177.766 177.584 0.156 0.000 1.172 160 A CA -0.223 51.880 52.037 0.110 0.000 0.821 160 A CB 0.676 19.721 19.000 0.077 0.000 1.166 160 A HN 1.195 nan 8.150 nan 0.000 0.493 161 G N 1.089 110.005 108.800 0.193 0.000 2.626 161 G HA2 0.559 4.528 3.960 0.016 0.000 0.304 161 G HA3 0.559 4.528 3.960 0.016 0.000 0.304 161 G C -0.913 174.101 174.900 0.191 0.000 1.385 161 G CA -0.376 44.834 45.100 0.182 0.000 0.957 161 G HN 0.630 nan 8.290 nan 0.000 0.504 162 I N 3.050 123.718 120.570 0.162 0.000 2.312 162 I HA 0.325 4.504 4.170 0.016 0.000 0.290 162 I C -0.021 176.097 176.117 0.001 0.000 1.008 162 I CA -0.392 61.002 61.300 0.158 0.000 1.226 162 I CB 1.228 39.412 38.000 0.308 0.000 1.371 162 I HN 0.146 nan 8.210 nan 0.000 0.468 163 L N 5.363 126.598 121.223 0.020 0.000 2.332 163 L HA 0.851 5.200 4.340 0.016 0.000 0.269 163 L C 0.342 177.169 176.870 -0.073 0.000 1.016 163 L CA -0.824 53.984 54.840 -0.053 0.000 0.809 163 L CB 1.386 43.442 42.059 -0.005 0.000 1.280 163 L HN 0.566 nan 8.230 nan 0.000 0.447 164 A N 0.571 123.312 122.820 -0.132 0.000 2.248 164 A HA 0.431 4.760 4.320 0.016 0.000 0.316 164 A C 0.236 177.801 177.584 -0.032 0.000 1.101 164 A CA -0.631 51.299 52.037 -0.178 0.000 0.875 164 A CB 0.564 19.350 19.000 -0.358 0.000 1.207 164 A HN 0.972 nan 8.150 nan 0.000 0.504 165 W N 0.319 121.662 121.300 0.073 0.000 3.278 165 W HA 0.064 4.735 4.660 0.018 0.000 0.308 165 W C 0.633 177.197 176.519 0.074 0.000 1.253 165 W CA 0.529 57.922 57.345 0.079 0.000 1.759 165 W CB -0.534 28.978 29.460 0.087 0.000 1.093 165 W HN 0.831 nan 8.180 nan 0.000 0.648 166 N N 1.188 119.815 118.700 -0.122 0.000 2.376 166 N HA -0.158 4.591 4.740 0.016 0.000 0.177 166 N C -0.323 175.097 175.510 -0.151 0.000 1.024 166 N CA 0.722 53.733 53.050 -0.066 0.000 0.893 166 N CB -0.996 37.335 38.487 -0.260 0.000 0.980 166 N HN 0.142 nan 8.380 nan 0.000 0.439 167 Y N -0.228 120.023 120.300 -0.082 0.000 2.477 167 Y HA 0.425 4.986 4.550 0.018 0.000 0.340 167 Y C -1.840 174.006 175.900 -0.090 0.000 0.987 167 Y CA -2.000 56.034 58.100 -0.110 0.000 1.127 167 Y CB 1.841 40.154 38.460 -0.246 0.000 1.139 167 Y HN -0.038 nan 8.280 nan 0.000 0.637 168 P HA -0.227 nan 4.420 nan 0.000 0.214 168 P C 1.722 179.068 177.300 0.075 0.000 1.163 168 P CA 1.525 64.682 63.100 0.096 0.000 0.883 168 P CB 0.170 31.959 31.700 0.148 0.000 0.788 169 F N -0.971 118.967 119.950 -0.019 0.000 2.163 169 F HA -0.046 4.490 4.527 0.016 0.000 0.297 169 F C 2.445 178.191 175.800 -0.091 0.000 1.094 169 F CA 1.243 59.225 58.000 -0.030 0.000 1.290 169 F CB -0.508 38.491 39.000 -0.001 0.000 1.017 169 F HN -0.251 nan 8.300 nan 0.000 0.483 170 M N -0.122 119.492 119.600 0.024 0.000 2.086 170 M HA -0.197 4.292 4.480 0.016 0.000 0.261 170 M C 2.274 178.262 176.300 -0.520 0.000 1.067 170 M CA 1.764 56.910 55.300 -0.257 0.000 1.116 170 M CB -0.447 31.949 32.600 -0.340 0.000 1.348 170 M HN 0.354 nan 8.290 nan 0.000 0.407 171 I N 0.195 120.528 120.570 -0.396 0.000 2.439 171 I HA -0.185 3.995 4.170 0.016 0.000 0.251 171 I C 2.231 178.199 176.117 -0.249 0.000 1.139 171 I CA 1.281 62.395 61.300 -0.311 0.000 1.438 171 I CB -0.331 37.551 38.000 -0.197 0.000 1.085 171 I HN 0.368 nan 8.210 nan 0.000 0.427 172 A N 1.061 123.660 122.820 -0.368 0.000 1.883 172 A HA -0.205 4.125 4.320 0.016 0.000 0.217 172 A C 2.501 179.826 177.584 -0.431 0.000 1.186 172 A CA 1.932 53.593 52.037 -0.626 0.000 0.624 172 A CB -0.963 17.529 19.000 -0.846 0.000 0.822 172 A HN 0.546 nan 8.150 nan 0.000 0.444 173 A N -1.524 121.106 122.820 -0.318 0.000 1.902 173 A HA -0.124 4.205 4.320 0.016 0.000 0.217 173 A C 1.916 179.599 177.584 0.164 0.000 1.181 173 A CA 1.501 53.494 52.037 -0.074 0.000 0.623 173 A CB -0.876 18.085 19.000 -0.064 0.000 0.818 173 A HN 0.709 nan 8.150 nan 0.000 0.443 174 W N 0.563 121.816 121.300 -0.079 0.000 2.350 174 W HA -0.098 4.577 4.660 0.025 0.000 0.289 174 W C 2.124 178.589 176.519 -0.089 0.000 1.215 174 W CA 1.410 58.734 57.345 -0.035 0.000 1.236 174 W CB -0.412 29.039 29.460 -0.014 0.000 1.130 174 W HN 0.388 nan 8.180 nan 0.000 0.541 175 K N -1.450 118.997 120.400 0.078 0.000 2.211 175 K HA -0.033 4.297 4.320 0.016 0.000 0.201 175 K C 1.986 178.482 176.600 -0.174 0.000 1.052 175 K CA 1.217 57.489 56.287 -0.026 0.000 0.973 175 K CB -0.609 31.905 32.500 0.022 0.000 0.766 175 K HN 0.014 nan 8.250 nan 0.000 0.466 176 C N 1.078 120.302 119.300 -0.126 0.000 2.440 176 C HA -0.017 4.452 4.460 0.016 0.000 0.278 176 C C 2.885 177.773 174.990 -0.170 0.000 1.295 176 C CA 0.843 59.779 59.018 -0.137 0.000 1.738 176 C CB -0.738 26.988 27.740 -0.023 0.000 1.987 176 C HN 0.525 nan 8.230 nan 0.000 0.492 177 A N 2.035 124.816 122.820 -0.065 0.000 1.855 177 A HA -0.077 4.252 4.320 0.016 0.000 0.215 177 A C 0.466 177.887 177.584 -0.272 0.000 1.191 177 A CA 1.987 54.029 52.037 0.009 0.000 0.613 177 A CB -1.831 17.326 19.000 0.261 0.000 0.829 177 A HN 0.496 nan 8.150 nan 0.000 0.442 178 P HA -0.094 nan 4.420 nan 0.000 0.216 178 P C 1.646 178.552 177.300 -0.658 0.000 1.153 178 P CA 1.928 64.454 63.100 -0.956 0.000 0.844 178 P CB -0.191 30.844 31.700 -1.109 0.000 0.787 179 A N -0.009 122.279 122.820 -0.887 0.000 1.865 179 A HA -0.178 4.151 4.320 0.016 0.000 0.217 179 A C 2.278 179.795 177.584 -0.111 0.000 1.191 179 A CA 1.694 53.419 52.037 -0.518 0.000 0.623 179 A CB -1.673 17.088 19.000 -0.398 0.000 0.826 179 A HN 0.087 nan 8.150 nan 0.000 0.444 180 L N -0.489 120.677 121.223 -0.095 0.000 2.056 180 L HA -0.081 4.268 4.340 0.016 0.000 0.207 180 L C 2.993 180.078 176.870 0.358 0.000 1.078 180 L CA 1.888 56.818 54.840 0.149 0.000 0.749 180 L CB -0.866 41.137 42.059 -0.094 0.000 0.901 180 L HN 0.396 nan 8.230 nan 0.000 0.433 181 A N -1.858 121.062 122.820 0.167 0.000 1.940 181 A HA -0.242 4.087 4.320 0.016 0.000 0.219 181 A C 2.242 179.887 177.584 0.102 0.000 1.176 181 A CA 1.861 53.995 52.037 0.163 0.000 0.631 181 A CB -1.242 17.863 19.000 0.176 0.000 0.814 181 A HN 0.553 nan 8.150 nan 0.000 0.446 182 C N -1.253 118.104 119.300 0.095 0.000 2.576 182 C HA 0.428 4.898 4.460 0.016 0.000 0.267 182 C C 1.932 176.992 174.990 0.115 0.000 1.364 182 C CA 0.359 59.434 59.018 0.096 0.000 1.723 182 C CB -1.216 26.597 27.740 0.123 0.000 1.778 182 C HN 1.086 nan 8.230 nan 0.000 0.572 183 G N 1.287 110.191 108.800 0.173 0.000 2.141 183 G HA2 -0.191 3.779 3.960 0.016 0.000 0.231 183 G HA3 -0.191 3.779 3.960 0.016 0.000 0.231 183 G C -0.171 175.026 174.900 0.495 0.000 0.984 183 G CA -0.226 44.988 45.100 0.190 0.000 0.660 183 G HN 0.524 nan 8.290 nan 0.000 0.525 184 N N 0.322 119.271 118.700 0.415 0.000 2.413 184 N HA 0.679 5.429 4.740 0.016 0.000 0.266 184 N C 0.408 176.073 175.510 0.259 0.000 1.238 184 N CA 0.425 53.667 53.050 0.319 0.000 0.972 184 N CB 1.413 39.990 38.487 0.149 0.000 1.210 184 N HN 0.616 nan 8.380 nan 0.000 0.547 185 A N 0.148 123.045 122.820 0.129 0.000 2.299 185 A HA 0.699 5.029 4.320 0.016 0.000 0.332 185 A C -0.612 176.964 177.584 -0.013 0.000 1.131 185 A CA -0.522 51.530 52.037 0.025 0.000 0.844 185 A CB 0.974 20.014 19.000 0.067 0.000 1.251 185 A HN 0.347 nan 8.150 nan 0.000 0.486 186 V N 0.617 120.518 119.914 -0.022 0.000 2.760 186 V HA 0.501 4.631 4.120 0.016 0.000 0.309 186 V C -0.878 175.253 176.094 0.062 0.000 1.077 186 V CA -0.490 61.833 62.300 0.039 0.000 0.910 186 V CB 1.859 33.724 31.823 0.070 0.000 1.008 186 V HN 0.673 nan 8.190 nan 0.000 0.424 187 V N 5.532 125.488 119.914 0.071 0.000 2.444 187 V HA 0.613 4.742 4.120 0.016 0.000 0.294 187 V C -0.548 175.636 176.094 0.148 0.000 1.022 187 V CA -0.509 61.815 62.300 0.040 0.000 0.850 187 V CB 1.166 32.969 31.823 -0.033 0.000 0.992 187 V HN 0.782 nan 8.190 nan 0.000 0.426 188 F N 2.001 121.993 119.950 0.070 0.000 2.598 188 F HA 0.821 5.358 4.527 0.016 0.000 0.327 188 F C -0.444 175.410 175.800 0.090 0.000 1.057 188 F CA -1.426 56.617 58.000 0.073 0.000 0.957 188 F CB 1.916 40.954 39.000 0.064 0.000 1.278 188 F HN 0.335 nan 8.300 nan 0.000 0.484 189 K N 2.930 123.543 120.400 0.355 0.000 2.572 189 K HA 0.489 4.819 4.320 0.016 0.000 0.244 189 K C -3.028 173.746 176.600 0.289 0.000 0.965 189 K CA -2.013 54.421 56.287 0.246 0.000 0.943 189 K CB 1.574 34.178 32.500 0.175 0.000 1.154 189 K HN 0.358 nan 8.250 nan 0.000 0.447 190 P HA -0.045 nan 4.420 nan 0.000 0.269 190 P C -0.506 176.916 177.300 0.203 0.000 1.215 190 P CA -0.222 63.033 63.100 0.259 0.000 0.780 190 P CB 0.905 32.760 31.700 0.259 0.000 0.898 191 S N 3.172 118.993 115.700 0.202 0.000 2.561 191 S HA 0.009 4.489 4.470 0.016 0.000 0.294 191 S C -1.145 173.572 174.600 0.194 0.000 1.294 191 S CA -0.751 57.588 58.200 0.231 0.000 1.055 191 S CB -0.409 63.001 63.200 0.351 0.000 0.819 191 S HN 0.342 nan 8.310 nan 0.000 0.503 192 P HA -0.035 nan 4.420 nan 0.000 0.234 192 P C 1.007 178.371 177.300 0.106 0.000 1.167 192 P CA 0.982 64.156 63.100 0.123 0.000 0.763 192 P CB 0.053 31.818 31.700 0.107 0.000 0.835 193 M N -0.586 119.085 119.600 0.117 0.000 2.476 193 M HA 0.033 4.523 4.480 0.016 0.000 0.262 193 M C 0.465 176.830 176.300 0.109 0.000 1.111 193 M CA 1.269 56.619 55.300 0.083 0.000 1.127 193 M CB -0.131 32.453 32.600 -0.025 0.000 1.376 193 M HN -0.034 nan 8.290 nan 0.000 0.465 194 T N -2.496 112.151 114.554 0.154 0.000 3.658 194 T HA 0.318 4.678 4.350 0.016 0.000 0.245 194 T C -2.399 172.393 174.700 0.154 0.000 1.292 194 T CA -1.184 61.011 62.100 0.158 0.000 1.598 194 T CB 0.463 69.457 68.868 0.209 0.000 0.861 194 T HN 0.011 nan 8.240 nan 0.000 0.663 195 P HA 0.098 nan 4.420 nan 0.000 0.239 195 P C 1.610 178.984 177.300 0.122 0.000 1.188 195 P CA 0.067 63.244 63.100 0.128 0.000 0.794 195 P CB 0.360 32.117 31.700 0.095 0.000 0.937 196 V N 0.714 120.691 119.914 0.104 0.000 2.346 196 V HA -0.110 4.019 4.120 0.016 0.000 0.244 196 V C 2.366 178.530 176.094 0.117 0.000 1.037 196 V CA 2.859 65.212 62.300 0.088 0.000 1.029 196 V CB -1.754 30.101 31.823 0.054 0.000 0.663 196 V HN 0.193 nan 8.190 nan 0.000 0.454 197 T N -1.943 112.704 114.554 0.156 0.000 2.962 197 T HA 0.027 4.386 4.350 0.016 0.000 0.270 197 T C 2.051 176.949 174.700 0.330 0.000 1.088 197 T CA 1.329 63.568 62.100 0.232 0.000 1.127 197 T CB -1.084 67.936 68.868 0.252 0.000 0.883 197 T HN 0.696 nan 8.240 nan 0.000 0.493 198 G N 1.214 110.185 108.800 0.285 0.000 2.469 198 G HA2 -0.191 3.779 3.960 0.016 0.000 0.220 198 G HA3 -0.191 3.779 3.960 0.016 0.000 0.220 198 G C 1.632 176.708 174.900 0.293 0.000 1.136 198 G CA 1.044 46.363 45.100 0.365 0.000 0.759 198 G HN 0.605 nan 8.290 nan 0.000 0.562 199 V N 0.710 120.696 119.914 0.120 0.000 2.951 199 V HA 0.030 4.159 4.120 0.016 0.000 0.255 199 V C 2.469 178.505 176.094 -0.097 0.000 1.088 199 V CA 0.638 62.889 62.300 -0.083 0.000 1.109 199 V CB -0.322 31.421 31.823 -0.133 0.000 0.724 199 V HN 0.259 nan 8.190 nan 0.000 0.471 200 I N 0.063 120.669 120.570 0.059 0.000 2.163 200 I HA -0.189 3.990 4.170 0.016 0.000 0.243 200 I C 2.490 178.689 176.117 0.136 0.000 1.085 200 I CA 1.897 63.252 61.300 0.092 0.000 1.347 200 I CB -1.344 36.748 38.000 0.154 0.000 1.044 200 I HN 0.433 nan 8.210 nan 0.000 0.408 201 L N 1.647 123.011 121.223 0.234 0.000 2.012 201 L HA -0.171 4.178 4.340 0.016 0.000 0.210 201 L C 2.619 179.576 176.870 0.146 0.000 1.073 201 L CA 2.365 57.272 54.840 0.111 0.000 0.748 201 L CB -0.954 41.042 42.059 -0.105 0.000 0.891 201 L HN 0.211 nan 8.230 nan 0.000 0.431 202 A N -0.973 121.956 122.820 0.183 0.000 1.940 202 A HA -0.240 4.090 4.320 0.016 0.000 0.219 202 A C 2.153 179.816 177.584 0.132 0.000 1.176 202 A CA 1.909 54.056 52.037 0.183 0.000 0.631 202 A CB -0.645 18.326 19.000 -0.049 0.000 0.814 202 A HN 0.659 nan 8.150 nan 0.000 0.446 203 E N -0.536 119.590 120.200 -0.124 0.000 2.106 203 E HA -0.100 4.260 4.350 0.016 0.000 0.192 203 E C 1.830 178.505 176.600 0.125 0.000 0.984 203 E CA 0.971 57.369 56.400 -0.003 0.000 0.806 203 E CB -0.242 29.405 29.700 -0.088 0.000 0.750 203 E HN 0.701 nan 8.360 nan 0.000 0.458 204 I N 0.367 120.973 120.570 0.058 0.000 2.286 204 I HA -0.252 3.928 4.170 0.016 0.000 0.248 204 I C 1.855 177.975 176.117 0.005 0.000 1.115 204 I CA 0.974 62.275 61.300 0.002 0.000 1.392 204 I CB -0.118 37.840 38.000 -0.070 0.000 1.065 204 I HN 0.039 nan 8.210 nan 0.000 0.418 205 F N 0.252 120.258 119.950 0.093 0.000 2.171 205 F HA -0.227 4.309 4.527 0.015 0.000 0.300 205 F C 2.629 178.407 175.800 -0.036 0.000 1.090 205 F CA 1.429 59.433 58.000 0.007 0.000 1.293 205 F CB -0.769 38.188 39.000 -0.071 0.000 1.013 205 F HN 0.166 nan 8.300 nan 0.000 0.486 206 H N -0.475 118.726 119.070 0.219 0.000 2.357 206 H HA -0.109 4.457 4.556 0.017 0.000 0.301 206 H C 2.097 177.495 175.328 0.117 0.000 1.082 206 H CA 1.529 57.672 56.048 0.157 0.000 1.342 206 H CB -0.273 29.599 29.762 0.183 0.000 1.389 206 H HN 0.377 nan 8.280 nan 0.000 0.511 207 E N 0.617 120.945 120.200 0.213 0.000 2.085 207 E HA -0.135 4.224 4.350 0.016 0.000 0.194 207 E C 2.295 178.958 176.600 0.104 0.000 0.994 207 E CA 0.823 57.300 56.400 0.128 0.000 0.801 207 E CB 0.014 29.763 29.700 0.082 0.000 0.743 207 E HN 0.380 nan 8.360 nan 0.000 0.453 208 A N -0.313 122.571 122.820 0.105 0.000 2.119 208 A HA 0.094 4.423 4.320 0.016 0.000 0.217 208 A C 1.696 179.353 177.584 0.122 0.000 1.153 208 A CA 1.269 53.369 52.037 0.105 0.000 0.692 208 A CB -0.009 19.063 19.000 0.120 0.000 0.799 208 A HN 0.395 nan 8.150 nan 0.000 0.458 209 G N -2.405 106.463 108.800 0.113 0.000 2.198 209 G HA2 -0.074 3.895 3.960 0.016 0.000 0.156 209 G HA3 -0.074 3.895 3.960 0.016 0.000 0.156 209 G C 0.076 175.030 174.900 0.089 0.000 1.012 209 G CA -0.062 45.106 45.100 0.112 0.000 0.692 209 G HN 0.571 nan 8.290 nan 0.000 0.492 210 V N 2.339 122.238 119.914 -0.026 0.000 2.655 210 V HA 0.360 4.489 4.120 0.016 0.000 0.300 210 V C -1.337 174.666 176.094 -0.151 0.000 1.044 210 V CA -0.883 61.281 62.300 -0.226 0.000 1.095 210 V CB 1.119 32.661 31.823 -0.469 0.000 0.952 210 V HN 0.174 nan 8.190 nan 0.000 0.485 211 P HA -0.029 nan 4.420 nan 0.000 0.260 211 P C -0.401 176.892 177.300 -0.012 0.000 1.172 211 P CA 0.136 63.250 63.100 0.023 0.000 0.760 211 P CB 0.046 31.801 31.700 0.092 0.000 0.773 212 V N 3.631 123.602 119.914 0.095 0.000 2.681 212 V HA 0.127 4.257 4.120 0.016 0.000 0.306 212 V C 1.771 177.982 176.094 0.195 0.000 1.077 212 V CA 1.845 64.278 62.300 0.220 0.000 1.224 212 V CB -0.610 31.312 31.823 0.165 0.000 0.879 212 V HN 1.057 nan 8.190 nan 0.000 0.494 213 G N 3.385 112.405 108.800 0.367 0.000 2.176 213 G HA2 -0.257 3.713 3.960 0.016 0.000 0.253 213 G HA3 -0.257 3.713 3.960 0.016 0.000 0.253 213 G C 0.474 175.450 174.900 0.126 0.000 0.979 213 G CA 0.340 45.572 45.100 0.221 0.000 0.641 213 G HN 0.765 nan 8.290 nan 0.000 0.530 214 L N 0.224 121.437 121.223 -0.016 0.000 2.046 214 L HA 0.282 4.632 4.340 0.016 0.000 0.208 214 L C 1.225 178.026 176.870 -0.114 0.000 1.077 214 L CA 1.969 56.708 54.840 -0.168 0.000 0.747 214 L CB 0.124 41.899 42.059 -0.473 0.000 0.896 214 L HN 0.254 nan 8.230 nan 0.000 0.432 215 V N 1.279 121.197 119.914 0.006 0.000 2.444 215 V HA 0.412 4.542 4.120 0.016 0.000 0.294 215 V C -0.625 175.626 176.094 0.262 0.000 1.022 215 V CA -0.900 61.461 62.300 0.100 0.000 0.850 215 V CB 1.416 33.302 31.823 0.105 0.000 0.992 215 V HN 0.228 nan 8.190 nan 0.000 0.426 216 N N 2.884 121.663 118.700 0.132 0.000 2.265 216 N HA 0.726 5.475 4.740 0.016 0.000 0.300 216 N C -1.427 174.010 175.510 -0.121 0.000 1.148 216 N CA -0.474 52.667 53.050 0.151 0.000 0.772 216 N CB 2.989 41.554 38.487 0.131 0.000 1.434 216 N HN 0.353 nan 8.380 nan 0.000 0.481 217 V N 1.153 121.058 119.914 -0.016 0.000 2.483 217 V HA 0.397 4.527 4.120 0.016 0.000 0.297 217 V C -0.114 176.034 176.094 0.090 0.000 1.027 217 V CA -0.895 61.263 62.300 -0.238 0.000 0.855 217 V CB 1.651 33.292 31.823 -0.304 0.000 0.995 217 V HN 0.511 nan 8.190 nan 0.000 0.424 218 V N 2.063 122.012 119.914 0.058 0.000 2.448 218 V HA 0.686 4.815 4.120 0.016 0.000 0.295 218 V C -0.444 175.723 176.094 0.122 0.000 1.025 218 V CA -0.586 61.807 62.300 0.154 0.000 0.859 218 V CB 1.692 33.559 31.823 0.073 0.000 0.988 218 V HN 0.763 nan 8.190 nan 0.000 0.431 219 Q N 2.562 122.449 119.800 0.145 0.000 2.221 219 Q HA 0.892 5.241 4.340 0.016 0.000 0.242 219 Q C 0.356 176.425 176.000 0.115 0.000 0.940 219 Q CA 0.305 56.182 55.803 0.124 0.000 0.896 219 Q CB 1.905 30.709 28.738 0.110 0.000 1.226 219 Q HN 1.495 nan 8.270 nan 0.000 0.463 220 G N -1.070 107.796 108.800 0.109 0.000 2.368 220 G HA2 0.347 4.316 3.960 0.016 0.000 0.302 220 G HA3 0.347 4.316 3.960 0.016 0.000 0.302 220 G C -0.600 174.363 174.900 0.106 0.000 1.329 220 G CA -0.348 44.812 45.100 0.098 0.000 0.935 220 G HN 0.691 nan 8.290 nan 0.000 0.590 221 G N -1.098 107.760 108.800 0.097 0.000 3.271 221 G HA2 0.701 4.670 3.960 0.016 0.000 0.174 221 G HA3 0.701 4.670 3.960 0.016 0.000 0.174 221 G C 1.647 176.608 174.900 0.102 0.000 1.385 221 G CA 1.305 46.468 45.100 0.104 0.000 0.979 221 G HN 1.796 nan 8.290 nan 0.000 0.610 222 A N -0.259 122.615 122.820 0.091 0.000 1.877 222 A HA -0.031 4.298 4.320 0.016 0.000 0.216 222 A C 2.144 179.769 177.584 0.070 0.000 1.186 222 A CA 2.396 54.482 52.037 0.081 0.000 0.620 222 A CB -0.775 18.266 19.000 0.068 0.000 0.822 222 A HN 0.696 nan 8.150 nan 0.000 0.443 223 E N -0.460 119.781 120.200 0.068 0.000 2.085 223 E HA -0.181 4.178 4.350 0.016 0.000 0.194 223 E C 1.861 178.505 176.600 0.072 0.000 0.994 223 E CA 2.153 58.594 56.400 0.068 0.000 0.801 223 E CB -0.504 29.233 29.700 0.062 0.000 0.743 223 E HN 0.474 nan 8.360 nan 0.000 0.453 224 T N -0.419 114.180 114.554 0.074 0.000 2.777 224 T HA -0.050 4.310 4.350 0.016 0.000 0.266 224 T C 1.724 176.468 174.700 0.072 0.000 1.040 224 T CA 1.106 63.249 62.100 0.072 0.000 1.141 224 T CB -0.641 68.274 68.868 0.079 0.000 0.868 224 T HN 0.453 nan 8.240 nan 0.000 0.444 225 G N 1.094 109.943 108.800 0.082 0.000 2.422 225 G HA2 -0.190 3.779 3.960 0.016 0.000 0.218 225 G HA3 -0.190 3.779 3.960 0.016 0.000 0.218 225 G C 1.864 176.783 174.900 0.033 0.000 1.146 225 G CA 1.066 46.215 45.100 0.081 0.000 0.769 225 G HN 0.497 nan 8.290 nan 0.000 0.547 226 S N 0.527 116.241 115.700 0.023 0.000 2.383 226 S HA -0.015 4.464 4.470 0.016 0.000 0.227 226 S C 2.289 176.906 174.600 0.028 0.000 1.026 226 S CA 0.791 58.977 58.200 -0.022 0.000 0.981 226 S CB -0.227 63.008 63.200 0.058 0.000 0.818 226 S HN 0.303 nan 8.310 nan 0.000 0.472 227 L N 1.117 122.399 121.223 0.098 0.000 2.042 227 L HA -0.116 4.234 4.340 0.016 0.000 0.210 227 L C 2.256 179.200 176.870 0.124 0.000 1.076 227 L CA 1.063 55.984 54.840 0.136 0.000 0.749 227 L CB -0.584 41.536 42.059 0.103 0.000 0.893 227 L HN 0.277 nan 8.230 nan 0.000 0.432 228 L N -1.300 119.964 121.223 0.068 0.000 2.046 228 L HA -0.278 4.072 4.340 0.016 0.000 0.208 228 L C 2.653 179.549 176.870 0.043 0.000 1.077 228 L CA 1.200 56.072 54.840 0.054 0.000 0.747 228 L CB -0.591 41.492 42.059 0.041 0.000 0.896 228 L HN 0.414 nan 8.230 nan 0.000 0.432 229 C N -1.242 118.034 119.300 -0.040 0.000 2.419 229 C HA -0.147 4.323 4.460 0.016 0.000 0.281 229 C C 2.552 177.467 174.990 -0.126 0.000 1.336 229 C CA 0.376 59.317 59.018 -0.128 0.000 1.770 229 C CB -1.185 26.389 27.740 -0.277 0.000 1.929 229 C HN 0.502 nan 8.230 nan 0.000 0.509 230 H N -1.931 117.171 119.070 0.053 0.000 2.592 230 H HA 0.108 4.674 4.556 0.016 0.000 0.265 230 H C 0.584 175.935 175.328 0.038 0.000 0.955 230 H CA 0.275 56.342 56.048 0.031 0.000 1.175 230 H CB -0.489 29.279 29.762 0.011 0.000 1.433 230 H HN 0.593 nan 8.280 nan 0.000 0.537 231 H N 3.398 122.524 119.070 0.093 0.000 2.929 231 H HA 0.013 4.579 4.556 0.016 0.000 0.317 231 H C -1.246 174.103 175.328 0.036 0.000 1.031 231 H CA -1.390 54.687 56.048 0.048 0.000 1.466 231 H CB 1.337 31.107 29.762 0.014 0.000 1.482 231 H HN 0.032 nan 8.280 nan 0.000 0.561 232 P HA -0.091 nan 4.420 nan 0.000 0.223 232 P C -0.206 177.157 177.300 0.105 0.000 1.151 232 P CA 1.180 64.269 63.100 -0.018 0.000 0.787 232 P CB 0.367 32.003 31.700 -0.108 0.000 0.788 233 N N -0.973 117.924 118.700 0.327 0.000 2.235 233 N HA 0.119 4.868 4.740 0.016 0.000 0.209 233 N C -0.481 175.104 175.510 0.126 0.000 1.122 233 N CA -0.228 52.954 53.050 0.220 0.000 0.845 233 N CB 0.508 39.131 38.487 0.227 0.000 1.004 233 N HN -0.090 nan 8.380 nan 0.000 0.499 234 V N 1.249 121.246 119.914 0.139 0.000 2.406 234 V HA 0.335 4.464 4.120 0.016 0.000 0.272 234 V C 0.926 177.042 176.094 0.037 0.000 1.043 234 V CA -0.251 62.072 62.300 0.038 0.000 0.915 234 V CB 1.169 33.017 31.823 0.042 0.000 0.988 234 V HN 0.244 nan 8.190 nan 0.000 0.466 235 A N 4.963 127.779 122.820 -0.006 0.000 2.081 235 A HA 0.202 4.532 4.320 0.016 0.000 0.214 235 A C 0.906 178.512 177.584 0.037 0.000 1.158 235 A CA 0.695 52.731 52.037 -0.001 0.000 0.724 235 A CB 0.150 19.100 19.000 -0.083 0.000 0.826 235 A HN 0.668 nan 8.150 nan 0.000 0.463 236 K N -0.596 119.824 120.400 0.034 0.000 2.557 236 K HA 0.519 4.848 4.320 0.016 0.000 0.257 236 K C -2.136 174.505 176.600 0.068 0.000 0.933 236 K CA -0.455 55.870 56.287 0.063 0.000 0.820 236 K CB 2.088 34.585 32.500 -0.005 0.000 1.330 236 K HN -0.069 nan 8.250 nan 0.000 0.432 237 V N 1.890 121.853 119.914 0.080 0.000 2.555 237 V HA 0.475 4.605 4.120 0.016 0.000 0.302 237 V C -0.527 175.626 176.094 0.099 0.000 1.038 237 V CA -0.703 61.651 62.300 0.090 0.000 0.887 237 V CB 1.648 33.517 31.823 0.075 0.000 0.991 237 V HN 0.766 nan 8.190 nan 0.000 0.434 238 S N 4.516 120.293 115.700 0.128 0.000 2.552 238 S HA 0.713 5.192 4.470 0.016 0.000 0.314 238 S C -1.238 173.462 174.600 0.167 0.000 1.099 238 S CA -0.428 57.847 58.200 0.124 0.000 1.070 238 S CB 0.640 63.926 63.200 0.143 0.000 0.998 238 S HN 0.567 nan 8.310 nan 0.000 0.474 239 F N 3.740 123.681 119.950 -0.015 0.000 2.522 239 F HA 0.742 5.278 4.527 0.015 0.000 0.324 239 F C -0.441 175.340 175.800 -0.030 0.000 1.077 239 F CA -0.168 57.821 58.000 -0.019 0.000 0.944 239 F CB 2.181 41.156 39.000 -0.042 0.000 1.175 239 F HN 0.466 nan 8.300 nan 0.000 0.468 240 T N 3.903 117.858 114.554 -0.998 0.000 2.928 240 T HA 0.771 5.131 4.350 0.016 0.000 0.296 240 T C -0.302 173.703 174.700 -1.158 0.000 1.000 240 T CA -0.225 61.427 62.100 -0.746 0.000 0.989 240 T CB 1.233 69.900 68.868 -0.335 0.000 1.005 240 T HN 1.151 nan 8.240 nan 0.000 0.442 241 G N 1.861 110.220 108.800 -0.736 0.000 2.404 241 G HA2 0.445 4.414 3.960 0.016 0.000 0.253 241 G HA3 0.445 4.414 3.960 0.016 0.000 0.253 241 G C -0.653 174.227 174.900 -0.034 0.000 1.253 241 G CA -0.125 44.726 45.100 -0.415 0.000 0.917 241 G HN 1.008 nan 8.290 nan 0.000 0.480 242 S N -0.666 115.113 115.700 0.130 0.000 2.652 242 S HA 0.540 5.019 4.470 0.016 0.000 0.270 242 S C 1.476 176.184 174.600 0.181 0.000 1.243 242 S CA 0.301 58.567 58.200 0.110 0.000 0.999 242 S CB 1.560 64.802 63.200 0.070 0.000 0.973 242 S HN 1.213 nan 8.310 nan 0.000 0.544 243 V N 2.316 122.315 119.914 0.142 0.000 2.255 243 V HA -0.057 4.072 4.120 0.016 0.000 0.247 243 V C -0.706 175.412 176.094 0.039 0.000 1.051 243 V CA 1.867 64.228 62.300 0.102 0.000 1.018 243 V CB -1.892 29.991 31.823 0.100 0.000 0.641 243 V HN 0.745 nan 8.190 nan 0.000 0.445 244 P HA -0.094 nan 4.420 nan 0.000 0.217 244 P C 1.750 179.031 177.300 -0.031 0.000 1.150 244 P CA 1.631 64.735 63.100 0.007 0.000 0.832 244 P CB -0.203 31.514 31.700 0.029 0.000 0.787 245 T N -1.359 113.185 114.554 -0.016 0.000 2.857 245 T HA -0.029 4.331 4.350 0.016 0.000 0.266 245 T C 2.054 176.495 174.700 -0.431 0.000 1.048 245 T CA 1.513 63.534 62.100 -0.132 0.000 1.139 245 T CB -1.200 67.685 68.868 0.027 0.000 0.874 245 T HN 0.158 nan 8.240 nan 0.000 0.455 246 G N 1.908 110.491 108.800 -0.361 0.000 2.418 246 G HA2 -0.200 3.770 3.960 0.016 0.000 0.217 246 G HA3 -0.200 3.770 3.960 0.016 0.000 0.217 246 G C 1.587 176.304 174.900 -0.305 0.000 1.158 246 G CA 0.618 45.425 45.100 -0.488 0.000 0.771 246 G HN 0.417 nan 8.290 nan 0.000 0.545 247 K N 0.425 120.725 120.400 -0.167 0.000 2.044 247 K HA -0.111 4.219 4.320 0.016 0.000 0.210 247 K C 2.601 179.127 176.600 -0.123 0.000 1.049 247 K CA 1.369 57.591 56.287 -0.109 0.000 0.927 247 K CB -0.141 32.321 32.500 -0.063 0.000 0.713 247 K HN 0.173 nan 8.250 nan 0.000 0.443 248 K N 0.665 120.975 120.400 -0.150 0.000 2.057 248 K HA -0.111 4.218 4.320 0.016 0.000 0.207 248 K C 2.202 178.694 176.600 -0.179 0.000 1.049 248 K CA 1.093 57.299 56.287 -0.136 0.000 0.931 248 K CB -0.377 32.050 32.500 -0.122 0.000 0.714 248 K HN -0.007 nan 8.250 nan 0.000 0.440 249 V N 2.103 121.840 119.914 -0.296 0.000 2.282 249 V HA -0.296 3.833 4.120 0.016 0.000 0.249 249 V C 2.527 178.516 176.094 -0.174 0.000 1.057 249 V CA 1.914 64.034 62.300 -0.300 0.000 1.032 249 V CB -0.412 31.102 31.823 -0.515 0.000 0.645 249 V HN 0.363 nan 8.190 nan 0.000 0.447 250 M N -0.431 119.085 119.600 -0.141 0.000 2.086 250 M HA -0.235 4.254 4.480 0.016 0.000 0.261 250 M C 2.206 178.489 176.300 -0.029 0.000 1.067 250 M CA 2.050 57.325 55.300 -0.043 0.000 1.116 250 M CB -0.199 32.405 32.600 0.007 0.000 1.348 250 M HN 0.359 nan 8.290 nan 0.000 0.407 251 E N -0.069 120.106 120.200 -0.041 0.000 2.058 251 E HA -0.236 4.123 4.350 0.016 0.000 0.194 251 E C 1.947 178.540 176.600 -0.013 0.000 0.997 251 E CA 2.027 58.415 56.400 -0.021 0.000 0.801 251 E CB -0.194 29.493 29.700 -0.022 0.000 0.746 251 E HN 0.586 nan 8.360 nan 0.000 0.450 252 M N 0.183 119.751 119.600 -0.054 0.000 2.159 252 M HA -0.131 4.358 4.480 0.016 0.000 0.263 252 M C 2.273 178.534 176.300 -0.066 0.000 1.063 252 M CA 1.037 56.290 55.300 -0.078 0.000 1.110 252 M CB 0.021 32.407 32.600 -0.357 0.000 1.374 252 M HN -0.041 nan 8.290 nan 0.000 0.411 253 S N 0.663 116.323 115.700 -0.068 0.000 2.447 253 S HA 0.003 4.483 4.470 0.016 0.000 0.233 253 S C 2.025 176.632 174.600 0.012 0.000 1.006 253 S CA 0.980 59.167 58.200 -0.022 0.000 0.957 253 S CB -0.315 62.879 63.200 -0.011 0.000 0.773 253 S HN 0.549 nan 8.310 nan 0.000 0.507 254 A N 1.862 124.689 122.820 0.011 0.000 2.067 254 A HA -0.085 4.245 4.320 0.016 0.000 0.219 254 A C 1.978 179.576 177.584 0.024 0.000 1.158 254 A CA 1.206 53.251 52.037 0.013 0.000 0.661 254 A CB -0.349 18.655 19.000 0.008 0.000 0.801 254 A HN 0.446 nan 8.150 nan 0.000 0.452 255 K N -0.945 119.484 120.400 0.049 0.000 2.147 255 K HA -0.055 4.275 4.320 0.016 0.000 0.205 255 K C 0.864 177.490 176.600 0.043 0.000 1.049 255 K CA 1.619 57.939 56.287 0.055 0.000 0.936 255 K CB -0.077 32.484 32.500 0.101 0.000 0.722 255 K HN 0.342 nan 8.250 nan 0.000 0.446 256 T N 0.139 114.722 114.554 0.048 0.000 3.182 256 T HA 0.118 4.478 4.350 0.016 0.000 0.277 256 T C -0.261 174.459 174.700 0.033 0.000 1.013 256 T CA -0.194 61.931 62.100 0.040 0.000 0.900 256 T CB 0.487 69.387 68.868 0.054 0.000 1.098 256 T HN -0.092 nan 8.240 nan 0.000 0.543 257 V N 1.270 121.195 119.914 0.019 0.000 5.487 257 V HA -0.243 3.887 4.120 0.016 0.000 0.302 257 V C 0.583 176.683 176.094 0.009 0.000 0.511 257 V CA 0.769 63.070 62.300 0.000 0.000 0.684 257 V CB -2.029 29.790 31.823 -0.007 0.000 0.458 257 V HN 0.547 nan 8.190 nan 0.000 1.195 258 K N 0.706 121.126 120.400 0.033 0.000 2.295 258 K HA 0.310 4.639 4.320 0.016 0.000 0.270 258 K C 0.702 177.340 176.600 0.063 0.000 1.011 258 K CA -0.621 55.713 56.287 0.079 0.000 0.953 258 K CB 0.398 32.942 32.500 0.073 0.000 0.956 258 K HN 0.536 nan 8.250 nan 0.000 0.477 259 H N 1.202 120.280 119.070 0.014 0.000 2.964 259 H HA 0.057 4.621 4.556 0.014 0.000 0.328 259 H C -0.370 174.983 175.328 0.041 0.000 1.030 259 H CA 0.026 56.086 56.048 0.020 0.000 1.445 259 H CB 0.540 30.301 29.762 -0.001 0.000 1.449 259 H HN 0.092 nan 8.280 nan 0.000 0.581 260 V N 3.451 123.463 119.914 0.164 0.000 2.656 260 V HA 0.259 4.389 4.120 0.016 0.000 0.307 260 V C 0.107 176.357 176.094 0.260 0.000 1.051 260 V CA -0.778 61.632 62.300 0.183 0.000 0.893 260 V CB 2.174 34.119 31.823 0.202 0.000 0.999 260 V HN 0.932 nan 8.190 nan 0.000 0.426 261 T N 2.693 117.319 114.554 0.119 0.000 2.876 261 T HA 0.856 5.215 4.350 0.016 0.000 0.289 261 T C -1.072 173.561 174.700 -0.112 0.000 1.014 261 T CA -0.701 61.413 62.100 0.023 0.000 0.986 261 T CB 1.618 70.427 68.868 -0.099 0.000 1.021 261 T HN 0.391 nan 8.240 nan 0.000 0.458 262 L N 1.964 122.979 121.223 -0.347 0.000 2.410 262 L HA 0.581 4.931 4.340 0.016 0.000 0.270 262 L C -0.390 176.340 176.870 -0.232 0.000 0.983 262 L CA -0.851 53.832 54.840 -0.260 0.000 0.822 262 L CB 2.282 44.079 42.059 -0.436 0.000 1.285 262 L HN 0.674 nan 8.230 nan 0.000 0.409 263 E N 4.099 124.234 120.200 -0.109 0.000 2.255 263 E HA 0.410 4.770 4.350 0.016 0.000 0.245 263 E C -0.969 175.593 176.600 -0.064 0.000 0.909 263 E CA -0.591 55.737 56.400 -0.120 0.000 0.747 263 E CB 2.269 31.915 29.700 -0.091 0.000 1.215 263 E HN 0.258 nan 8.360 nan 0.000 0.424 264 L N 0.498 121.706 121.223 -0.026 0.000 2.687 264 L HA 0.567 4.917 4.340 0.016 0.000 0.252 264 L C 1.395 178.291 176.870 0.043 0.000 1.115 264 L CA -0.437 54.429 54.840 0.043 0.000 0.893 264 L CB -0.004 42.109 42.059 0.091 0.000 1.670 264 L HN 0.479 nan 8.230 nan 0.000 0.531 265 G N -1.837 107.005 108.800 0.069 0.000 2.582 265 G HA2 0.604 4.573 3.960 0.016 0.000 0.232 265 G HA3 0.604 4.573 3.960 0.016 0.000 0.232 265 G C -0.543 174.275 174.900 -0.138 0.000 1.458 265 G CA 0.119 45.200 45.100 -0.033 0.000 1.062 265 G HN 0.872 nan 8.290 nan 0.000 0.566 266 G N -2.177 106.342 108.800 -0.467 0.000 2.663 266 G HA2 0.482 4.451 3.960 0.016 0.000 0.299 266 G HA3 0.482 4.451 3.960 0.016 0.000 0.299 266 G C -1.466 172.838 174.900 -0.992 0.000 1.372 266 G CA -0.388 44.294 45.100 -0.696 0.000 0.781 266 G HN 0.554 nan 8.290 nan 0.000 0.491 267 K N 0.584 120.645 120.400 -0.564 0.000 3.394 267 K HA 0.412 4.741 4.320 0.016 0.000 0.175 267 K C -0.108 176.484 176.600 -0.014 0.000 1.047 267 K CA -0.525 55.629 56.287 -0.223 0.000 0.814 267 K CB 0.064 32.537 32.500 -0.045 0.000 0.803 267 K HN 0.393 nan 8.250 nan 0.000 0.522 268 S N 3.432 119.132 115.700 0.001 0.000 2.533 268 S HA 0.233 4.712 4.470 0.016 0.000 0.282 268 S C -2.374 172.301 174.600 0.125 0.000 1.304 268 S CA -0.594 57.665 58.200 0.100 0.000 1.063 268 S CB 0.499 63.803 63.200 0.173 0.000 0.881 268 S HN 0.373 nan 8.310 nan 0.000 0.493 269 P HA 0.355 nan 4.420 nan 0.000 0.294 269 P C -1.168 176.282 177.300 0.249 0.000 1.294 269 P CA -0.754 62.492 63.100 0.243 0.000 0.827 269 P CB 1.034 32.918 31.700 0.307 0.000 0.992 270 L N 4.971 126.324 121.223 0.217 0.000 2.305 270 L HA 0.408 4.757 4.340 0.016 0.000 0.284 270 L C -0.973 176.023 176.870 0.211 0.000 1.013 270 L CA -0.565 54.411 54.840 0.226 0.000 0.819 270 L CB 0.684 42.805 42.059 0.103 0.000 1.227 270 L HN 0.210 nan 8.230 nan 0.000 0.417 271 L N 6.554 127.895 121.223 0.197 0.000 2.287 271 L HA 0.521 4.871 4.340 0.016 0.000 0.287 271 L C -0.565 176.390 176.870 0.142 0.000 1.022 271 L CA -0.545 54.333 54.840 0.063 0.000 0.814 271 L CB 1.378 43.369 42.059 -0.114 0.000 1.217 271 L HN 0.498 nan 8.230 nan 0.000 0.420 272 I N 3.431 124.043 120.570 0.071 0.000 2.371 272 I HA 0.326 4.505 4.170 0.016 0.000 0.282 272 I C -0.322 175.821 176.117 0.043 0.000 1.031 272 I CA -0.192 61.161 61.300 0.088 0.000 1.180 272 I CB 1.023 38.926 38.000 -0.163 0.000 1.336 272 I HN 0.411 nan 8.210 nan 0.000 0.467 273 F N 4.972 125.059 119.950 0.227 0.000 2.370 273 F HA 0.200 4.736 4.527 0.015 0.000 0.324 273 F C 1.841 177.683 175.800 0.070 0.000 1.116 273 F CA -0.447 57.667 58.000 0.191 0.000 1.123 273 F CB 1.093 40.207 39.000 0.190 0.000 1.238 273 F HN 0.439 nan 8.300 nan 0.000 0.536 274 K N 0.092 120.614 120.400 0.203 0.000 2.280 274 K HA -0.156 4.173 4.320 0.016 0.000 0.202 274 K C 0.643 177.312 176.600 0.114 0.000 1.047 274 K CA 1.772 58.114 56.287 0.092 0.000 0.942 274 K CB -0.341 32.182 32.500 0.038 0.000 0.739 274 K HN 0.678 nan 8.250 nan 0.000 0.457 275 D N 1.665 122.159 120.400 0.156 0.000 2.325 275 D HA -0.049 4.600 4.640 0.016 0.000 0.225 275 D C 0.973 177.351 176.300 0.129 0.000 1.096 275 D CA -0.206 53.861 54.000 0.112 0.000 0.844 275 D CB -0.802 40.046 40.800 0.081 0.000 0.925 275 D HN 0.425 nan 8.370 nan 0.000 0.513 276 C N 0.208 119.610 119.300 0.171 0.000 2.705 276 C HA 0.381 4.850 4.460 0.016 0.000 0.348 276 C C 0.574 175.650 174.990 0.143 0.000 1.386 276 C CA -0.967 58.167 59.018 0.195 0.000 2.361 276 C CB 0.104 27.996 27.740 0.254 0.000 2.486 276 C HN 0.206 nan 8.230 nan 0.000 0.728 277 E N 1.036 121.332 120.200 0.160 0.000 1.996 277 E HA 0.148 4.508 4.350 0.016 0.000 0.280 277 E C 0.890 177.542 176.600 0.086 0.000 1.092 277 E CA -0.233 56.236 56.400 0.114 0.000 0.862 277 E CB 0.776 30.546 29.700 0.116 0.000 1.066 277 E HN 0.622 nan 8.360 nan 0.000 0.396 278 L N 2.673 123.933 121.223 0.062 0.000 2.021 278 L HA -0.274 4.075 4.340 0.016 0.000 0.215 278 L C 2.309 179.187 176.870 0.013 0.000 1.074 278 L CA 1.835 56.702 54.840 0.046 0.000 0.760 278 L CB -0.074 42.017 42.059 0.052 0.000 0.889 278 L HN 0.568 nan 8.230 nan 0.000 0.433 279 E N 0.211 120.419 120.200 0.013 0.000 2.110 279 E HA -0.214 4.146 4.350 0.016 0.000 0.193 279 E C 1.830 178.422 176.600 -0.013 0.000 0.988 279 E CA 1.435 57.832 56.400 -0.005 0.000 0.804 279 E CB -0.104 29.600 29.700 0.007 0.000 0.745 279 E HN 0.399 nan 8.360 nan 0.000 0.458 280 N N 0.111 118.824 118.700 0.022 0.000 2.216 280 N HA -0.076 4.674 4.740 0.016 0.000 0.183 280 N C 1.608 177.005 175.510 -0.190 0.000 1.017 280 N CA 1.389 54.480 53.050 0.068 0.000 0.861 280 N CB -0.415 38.211 38.487 0.232 0.000 0.986 280 N HN 0.317 nan 8.380 nan 0.000 0.428 281 A N 0.862 123.399 122.820 -0.472 0.000 1.902 281 A HA -0.077 4.253 4.320 0.016 0.000 0.217 281 A C 2.538 179.872 177.584 -0.417 0.000 1.181 281 A CA 1.173 52.575 52.037 -1.060 0.000 0.623 281 A CB -0.757 17.896 19.000 -0.578 0.000 0.818 281 A HN 0.090 nan 8.150 nan 0.000 0.443 282 V N 0.176 120.007 119.914 -0.138 0.000 2.261 282 V HA -0.315 3.815 4.120 0.016 0.000 0.246 282 V C 2.654 178.687 176.094 -0.102 0.000 1.047 282 V CA 2.371 64.612 62.300 -0.099 0.000 1.015 282 V CB -0.847 30.898 31.823 -0.130 0.000 0.642 282 V HN 0.566 nan 8.190 nan 0.000 0.446 283 R N 0.115 120.567 120.500 -0.080 0.000 2.096 283 R HA -0.174 4.176 4.340 0.016 0.000 0.240 283 R C 2.477 178.767 176.300 -0.017 0.000 1.139 283 R CA 1.701 57.784 56.100 -0.029 0.000 0.952 283 R CB -1.104 29.204 30.300 0.014 0.000 0.854 283 R HN 0.601 nan 8.270 nan 0.000 0.436 284 G N 0.843 109.624 108.800 -0.033 0.000 2.476 284 G HA2 -0.309 3.661 3.960 0.016 0.000 0.218 284 G HA3 -0.309 3.661 3.960 0.016 0.000 0.218 284 G C 1.584 176.465 174.900 -0.031 0.000 1.164 284 G CA 0.973 46.140 45.100 0.112 0.000 0.768 284 G HN 0.451 nan 8.290 nan 0.000 0.560 285 A N 0.092 122.853 122.820 -0.098 0.000 1.930 285 A HA 0.115 4.445 4.320 0.016 0.000 0.217 285 A C 2.365 179.828 177.584 -0.202 0.000 1.175 285 A CA 1.357 53.325 52.037 -0.115 0.000 0.627 285 A CB -0.346 18.721 19.000 0.111 0.000 0.815 285 A HN 0.295 nan 8.150 nan 0.000 0.443 286 L N -0.840 120.316 121.223 -0.112 0.000 2.017 286 L HA -0.086 4.263 4.340 0.016 0.000 0.208 286 L C 2.499 179.314 176.870 -0.092 0.000 1.073 286 L CA 1.631 56.446 54.840 -0.043 0.000 0.745 286 L CB -0.949 41.143 42.059 0.055 0.000 0.894 286 L HN 0.332 nan 8.230 nan 0.000 0.432 287 M N -1.397 118.159 119.600 -0.074 0.000 2.476 287 M HA -0.021 4.469 4.480 0.016 0.000 0.262 287 M C 1.967 178.186 176.300 -0.135 0.000 1.079 287 M CA 1.040 56.302 55.300 -0.063 0.000 1.104 287 M CB -1.117 31.472 32.600 -0.018 0.000 1.409 287 M HN 0.271 nan 8.290 nan 0.000 0.467 288 A N -0.471 122.161 122.820 -0.313 0.000 2.195 288 A HA 0.057 4.386 4.320 0.016 0.000 0.210 288 A C 1.817 179.115 177.584 -0.477 0.000 1.165 288 A CA 0.642 52.327 52.037 -0.587 0.000 0.806 288 A CB -0.112 18.167 19.000 -1.201 0.000 0.847 288 A HN 0.463 nan 8.150 nan 0.000 0.482 289 N N -1.939 116.440 118.700 -0.536 0.000 2.360 289 N HA 0.146 4.895 4.740 0.016 0.000 0.211 289 N C -0.291 174.852 175.510 -0.611 0.000 1.147 289 N CA 0.456 53.076 53.050 -0.716 0.000 0.866 289 N CB 0.516 38.271 38.487 -1.221 0.000 1.206 289 N HN 0.372 nan 8.380 nan 0.000 0.478 290 F N 1.343 121.237 119.950 -0.093 0.000 2.683 290 F HA 0.427 4.964 4.527 0.016 0.000 0.306 290 F C 0.576 176.337 175.800 -0.066 0.000 1.102 290 F CA -0.419 57.536 58.000 -0.076 0.000 1.244 290 F CB -0.226 38.735 39.000 -0.064 0.000 1.029 290 F HN -0.231 nan 8.300 nan 0.000 0.545 291 L N 0.223 121.480 121.223 0.056 0.000 2.439 291 L HA 0.168 4.518 4.340 0.016 0.000 0.269 291 L C 1.163 178.033 176.870 -0.001 0.000 1.179 291 L CA 0.095 54.952 54.840 0.028 0.000 0.828 291 L CB 0.073 42.142 42.059 0.017 0.000 1.106 291 L HN 0.193 nan 8.230 nan 0.000 0.467 292 T N 2.304 116.842 114.554 -0.027 0.000 3.795 292 T HA -0.220 4.139 4.350 0.016 0.000 0.370 292 T C 0.581 175.258 174.700 -0.039 0.000 0.761 292 T CA 0.893 62.946 62.100 -0.078 0.000 1.923 292 T CB -1.095 67.655 68.868 -0.196 0.000 1.795 292 T HN 0.803 nan 8.240 nan 0.000 0.762 293 Q N -2.153 117.652 119.800 0.009 0.000 2.468 293 Q HA -0.189 4.160 4.340 0.016 0.000 0.256 293 Q C 1.324 177.343 176.000 0.031 0.000 0.984 293 Q CA 2.144 57.967 55.803 0.034 0.000 1.110 293 Q CB -1.943 26.812 28.738 0.028 0.000 1.527 293 Q HN 1.735 nan 8.270 nan 0.000 0.535 294 G N -0.991 107.813 108.800 0.007 0.000 2.148 294 G HA2 -0.369 3.601 3.960 0.016 0.000 0.254 294 G HA3 -0.369 3.601 3.960 0.016 0.000 0.254 294 G C 0.052 174.774 174.900 -0.296 0.000 0.981 294 G CA 0.366 45.423 45.100 -0.071 0.000 0.670 294 G HN 0.436 nan 8.290 nan 0.000 0.528 295 Q N 0.009 119.585 119.800 -0.373 0.000 3.035 295 Q HA 0.519 4.868 4.340 0.016 0.000 0.354 295 Q C -0.384 175.023 176.000 -0.989 0.000 1.247 295 Q CA -0.222 55.035 55.803 -0.909 0.000 1.068 295 Q CB 1.442 30.038 28.738 -0.236 0.000 1.424 295 Q HN 0.295 nan 8.270 nan 0.000 0.486 296 V N 0.180 119.630 119.914 -0.773 0.000 2.577 296 V HA 0.054 4.183 4.120 0.016 0.000 0.303 296 V C 1.166 177.217 176.094 -0.071 0.000 1.042 296 V CA -0.923 61.239 62.300 -0.229 0.000 0.872 296 V CB 1.231 33.026 31.823 -0.046 0.000 0.998 296 V HN 0.774 nan 8.190 nan 0.000 0.423 297 C N 1.420 120.808 119.300 0.147 0.000 2.413 297 C HA -0.124 4.345 4.460 0.016 0.000 0.276 297 C C 2.469 177.547 174.990 0.146 0.000 1.248 297 C CA 1.526 60.679 59.018 0.225 0.000 1.742 297 C CB -1.601 26.261 27.740 0.205 0.000 2.017 297 C HN 0.967 nan 8.230 nan 0.000 0.481 298 T N -1.741 112.905 114.554 0.154 0.000 3.148 298 T HA 0.067 4.427 4.350 0.016 0.000 0.253 298 T C 0.418 175.269 174.700 0.251 0.000 1.134 298 T CA -0.027 62.201 62.100 0.214 0.000 1.051 298 T CB -1.193 67.824 68.868 0.248 0.000 0.959 298 T HN 0.716 nan 8.240 nan 0.000 0.525 299 N N 1.536 120.302 118.700 0.111 0.000 2.356 299 N HA 0.220 4.969 4.740 0.016 0.000 0.252 299 N C 0.435 175.926 175.510 -0.032 0.000 1.241 299 N CA -0.189 52.864 53.050 0.005 0.000 0.861 299 N CB 0.340 38.749 38.487 -0.129 0.000 1.075 299 N HN 0.475 nan 8.380 nan 0.000 0.461 300 G N 1.012 109.654 108.800 -0.264 0.000 2.741 300 G HA2 0.053 4.023 3.960 0.016 0.000 0.301 300 G HA3 0.053 4.023 3.960 0.016 0.000 0.301 300 G C 1.079 175.832 174.900 -0.244 0.000 0.834 300 G CA -0.449 44.508 45.100 -0.239 0.000 1.683 300 G HN 0.672 nan 8.290 nan 0.000 0.506 301 T N -0.998 113.458 114.554 -0.163 0.000 3.081 301 T HA 0.180 4.540 4.350 0.016 0.000 0.250 301 T C 1.047 175.642 174.700 -0.174 0.000 1.100 301 T CA -0.154 61.835 62.100 -0.185 0.000 1.038 301 T CB 0.280 69.051 68.868 -0.162 0.000 0.962 301 T HN 0.307 nan 8.240 nan 0.000 0.516 302 R N 1.513 121.914 120.500 -0.165 0.000 2.278 302 R HA 0.531 4.880 4.340 0.016 0.000 0.322 302 R C -1.329 174.759 176.300 -0.355 0.000 1.058 302 R CA -0.445 55.480 56.100 -0.292 0.000 0.991 302 R CB 1.618 31.758 30.300 -0.266 0.000 1.140 302 R HN 0.150 nan 8.270 nan 0.000 0.518 303 V N 5.210 124.917 119.914 -0.344 0.000 2.348 303 V HA 0.259 4.388 4.120 0.016 0.000 0.270 303 V C -0.286 175.628 176.094 -0.300 0.000 1.037 303 V CA -0.352 61.805 62.300 -0.239 0.000 0.872 303 V CB 0.209 31.949 31.823 -0.140 0.000 1.002 303 V HN 0.491 nan 8.190 nan 0.000 0.464 304 F N 4.084 123.990 119.950 -0.074 0.000 2.405 304 F HA 0.566 5.103 4.527 0.015 0.000 0.355 304 F C 0.183 176.022 175.800 0.064 0.000 1.121 304 F CA -0.532 57.477 58.000 0.015 0.000 1.112 304 F CB 1.603 40.575 39.000 -0.046 0.000 1.126 304 F HN 0.180 nan 8.300 nan 0.000 0.481 305 V N 3.629 123.621 119.914 0.131 0.000 2.487 305 V HA 0.263 4.392 4.120 0.016 0.000 0.298 305 V C -0.155 175.679 176.094 -0.433 0.000 1.028 305 V CA -1.125 61.061 62.300 -0.189 0.000 0.860 305 V CB 1.602 33.150 31.823 -0.459 0.000 0.991 305 V HN 0.670 nan 8.190 nan 0.000 0.427 306 Q N 3.235 122.564 119.800 -0.785 0.000 2.274 306 Q HA 0.087 4.436 4.340 0.016 0.000 0.280 306 Q C 1.481 177.170 176.000 -0.519 0.000 1.047 306 Q CA 0.231 55.340 55.803 -1.156 0.000 0.907 306 Q CB 0.540 28.752 28.738 -0.876 0.000 1.171 306 Q HN 0.628 nan 8.270 nan 0.000 0.381 307 R N 2.930 123.175 120.500 -0.425 0.000 2.159 307 R HA -0.307 4.042 4.340 0.016 0.000 0.252 307 R C 1.133 177.353 176.300 -0.134 0.000 1.144 307 R CA 2.525 58.501 56.100 -0.206 0.000 0.961 307 R CB 0.143 30.357 30.300 -0.142 0.000 0.877 307 R HN 0.733 nan 8.270 nan 0.000 0.444 308 E N -0.021 120.103 120.200 -0.125 0.000 2.160 308 E HA -0.180 4.179 4.350 0.016 0.000 0.195 308 E C 1.680 178.251 176.600 -0.048 0.000 0.991 308 E CA 1.693 58.052 56.400 -0.069 0.000 0.810 308 E CB -0.115 29.554 29.700 -0.053 0.000 0.742 308 E HN 0.688 nan 8.360 nan 0.000 0.466 309 I N -2.615 117.916 120.570 -0.064 0.000 4.018 309 I HA 0.265 4.445 4.170 0.016 0.000 0.337 309 I C 1.776 177.902 176.117 0.014 0.000 1.327 309 I CA -0.163 61.127 61.300 -0.017 0.000 1.100 309 I CB 0.114 38.107 38.000 -0.011 0.000 1.025 309 I HN -0.022 nan 8.210 nan 0.000 0.396 310 M N 2.875 122.463 119.600 -0.020 0.000 2.080 310 M HA 0.009 4.499 4.480 0.016 0.000 0.260 310 M C -0.941 175.415 176.300 0.092 0.000 1.068 310 M CA 2.564 57.881 55.300 0.029 0.000 1.109 310 M CB -1.098 31.487 32.600 -0.025 0.000 1.342 310 M HN 0.054 nan 8.290 nan 0.000 0.405 311 P HA -0.197 nan 4.420 nan 0.000 0.214 311 P C 1.200 178.526 177.300 0.043 0.000 1.163 311 P CA 1.640 64.762 63.100 0.038 0.000 0.883 311 P CB -0.567 31.143 31.700 0.016 0.000 0.788 312 Q N -1.140 118.689 119.800 0.047 0.000 2.167 312 Q HA -0.168 4.182 4.340 0.016 0.000 0.202 312 Q C 2.166 178.197 176.000 0.052 0.000 0.970 312 Q CA 1.324 57.149 55.803 0.036 0.000 0.855 312 Q CB -1.535 27.222 28.738 0.032 0.000 0.911 312 Q HN 0.252 nan 8.270 nan 0.000 0.438 313 F N 1.823 121.748 119.950 -0.042 0.000 2.075 313 F HA -0.190 4.346 4.527 0.016 0.000 0.297 313 F C 1.876 177.649 175.800 -0.045 0.000 1.113 313 F CA 0.923 58.892 58.000 -0.052 0.000 1.218 313 F CB -0.240 38.723 39.000 -0.061 0.000 0.984 313 F HN 0.003 nan 8.300 nan 0.000 0.472 314 L N 1.119 122.338 121.223 -0.007 0.000 2.042 314 L HA -0.224 4.125 4.340 0.016 0.000 0.210 314 L C 2.496 179.281 176.870 -0.143 0.000 1.076 314 L CA 2.125 56.908 54.840 -0.094 0.000 0.749 314 L CB -1.490 40.594 42.059 0.042 0.000 0.893 314 L HN 0.412 nan 8.230 nan 0.000 0.432 315 E N -0.597 119.549 120.200 -0.090 0.000 2.038 315 E HA -0.310 4.049 4.350 0.016 0.000 0.195 315 E C 2.050 178.578 176.600 -0.120 0.000 1.000 315 E CA 1.721 58.073 56.400 -0.081 0.000 0.803 315 E CB 0.010 29.680 29.700 -0.049 0.000 0.750 315 E HN 0.433 nan 8.360 nan 0.000 0.448 316 E N -0.093 120.013 120.200 -0.157 0.000 2.152 316 E HA -0.093 4.266 4.350 0.016 0.000 0.192 316 E C 1.876 178.340 176.600 -0.227 0.000 0.983 316 E CA 0.715 57.016 56.400 -0.165 0.000 0.818 316 E CB -0.072 29.540 29.700 -0.148 0.000 0.758 316 E HN 0.201 nan 8.360 nan 0.000 0.467 317 V N -0.658 119.032 119.914 -0.373 0.000 2.548 317 V HA -0.123 4.006 4.120 0.016 0.000 0.249 317 V C 2.004 177.981 176.094 -0.194 0.000 1.055 317 V CA 1.259 63.328 62.300 -0.385 0.000 1.065 317 V CB 0.077 31.456 31.823 -0.740 0.000 0.681 317 V HN 0.222 nan 8.190 nan 0.000 0.462 318 V N 0.224 120.041 119.914 -0.163 0.000 2.453 318 V HA -0.202 3.927 4.120 0.016 0.000 0.247 318 V C 2.440 178.479 176.094 -0.091 0.000 1.048 318 V CA 2.293 64.534 62.300 -0.098 0.000 1.049 318 V CB -0.655 31.122 31.823 -0.076 0.000 0.672 318 V HN 0.565 nan 8.190 nan 0.000 0.457 319 K N 0.117 120.460 120.400 -0.095 0.000 2.057 319 K HA -0.168 4.162 4.320 0.016 0.000 0.206 319 K C 2.372 178.922 176.600 -0.083 0.000 1.050 319 K CA 1.123 57.362 56.287 -0.081 0.000 0.935 319 K CB -0.058 32.398 32.500 -0.073 0.000 0.715 319 K HN 0.276 nan 8.250 nan 0.000 0.439 320 R N 0.101 120.547 120.500 -0.090 0.000 2.092 320 R HA -0.050 4.300 4.340 0.016 0.000 0.231 320 R C 2.239 178.484 176.300 -0.092 0.000 1.119 320 R CA 1.495 57.547 56.100 -0.079 0.000 0.970 320 R CB -0.803 29.453 30.300 -0.074 0.000 0.864 320 R HN 0.283 nan 8.270 nan 0.000 0.440 321 T N 1.399 115.888 114.554 -0.107 0.000 2.737 321 T HA -0.066 4.294 4.350 0.016 0.000 0.265 321 T C 1.768 176.342 174.700 -0.211 0.000 1.038 321 T CA 1.181 63.159 62.100 -0.203 0.000 1.144 321 T CB -0.013 68.749 68.868 -0.176 0.000 0.866 321 T HN 0.238 nan 8.240 nan 0.000 0.434 322 K N 1.272 121.587 120.400 -0.141 0.000 2.152 322 K HA 0.051 4.381 4.320 0.016 0.000 0.206 322 K C 2.364 178.900 176.600 -0.107 0.000 1.048 322 K CA 1.087 57.304 56.287 -0.117 0.000 0.933 322 K CB -0.182 32.267 32.500 -0.085 0.000 0.721 322 K HN 0.271 nan 8.250 nan 0.000 0.447 323 A N 1.058 123.819 122.820 -0.098 0.000 2.168 323 A HA 0.018 4.347 4.320 0.016 0.000 0.215 323 A C 0.831 178.362 177.584 -0.087 0.000 1.152 323 A CA 0.195 52.183 52.037 -0.081 0.000 0.716 323 A CB -0.411 18.549 19.000 -0.066 0.000 0.794 323 A HN 0.158 nan 8.150 nan 0.000 0.465 324 I N 1.544 122.043 120.570 -0.118 0.000 2.742 324 I HA -0.040 4.139 4.170 0.016 0.000 0.287 324 I C -0.294 175.767 176.117 -0.093 0.000 1.186 324 I CA -0.002 61.229 61.300 -0.116 0.000 1.417 324 I CB 0.742 38.629 38.000 -0.188 0.000 1.377 324 I HN -0.098 nan 8.210 nan 0.000 0.556 325 V N 8.417 128.291 119.914 -0.066 0.000 2.439 325 V HA 0.064 4.194 4.120 0.016 0.000 0.271 325 V C 0.299 176.364 176.094 -0.048 0.000 1.040 325 V CA -0.287 61.977 62.300 -0.059 0.000 1.002 325 V CB 0.945 32.741 31.823 -0.045 0.000 1.000 325 V HN 0.374 nan 8.190 nan 0.000 0.477 326 V N 5.680 125.557 119.914 -0.063 0.000 2.347 326 V HA 0.920 5.050 4.120 0.016 0.000 0.280 326 V C 0.701 176.720 176.094 -0.125 0.000 1.021 326 V CA 0.701 62.979 62.300 -0.037 0.000 0.847 326 V CB 0.601 32.405 31.823 -0.032 0.000 0.990 326 V HN 1.083 nan 8.190 nan 0.000 0.444 327 G N 3.886 112.654 108.800 -0.054 0.000 2.637 327 G HA2 0.178 4.147 3.960 0.016 0.000 0.112 327 G HA3 0.178 4.147 3.960 0.016 0.000 0.112 327 G C -1.295 173.642 174.900 0.063 0.000 1.181 327 G CA -0.457 44.548 45.100 -0.158 0.000 1.150 327 G HN 0.510 nan 8.290 nan 0.000 0.561 328 D N 2.019 122.431 120.400 0.019 0.000 2.358 328 D HA 0.345 4.995 4.640 0.016 0.000 0.258 328 D C -0.833 175.502 176.300 0.058 0.000 1.223 328 D CA -1.870 52.169 54.000 0.064 0.000 0.886 328 D CB 1.767 42.578 40.800 0.019 0.000 1.120 328 D HN 0.015 nan 8.370 nan 0.000 0.482 329 P HA -0.112 nan 4.420 nan 0.000 0.223 329 P C 1.345 178.660 177.300 0.025 0.000 1.151 329 P CA 0.124 63.252 63.100 0.047 0.000 0.787 329 P CB 0.467 32.189 31.700 0.038 0.000 0.788 330 L N -1.376 119.859 121.223 0.019 0.000 2.552 330 L HA 0.057 4.406 4.340 0.016 0.000 0.227 330 L C 0.974 177.847 176.870 0.005 0.000 1.146 330 L CA 0.555 55.399 54.840 0.008 0.000 0.858 330 L CB -1.351 40.710 42.059 0.003 0.000 0.969 330 L HN -0.080 nan 8.230 nan 0.000 0.451 331 L N -0.753 120.474 121.223 0.007 0.000 2.371 331 L HA 0.141 4.490 4.340 0.016 0.000 0.272 331 L C 1.921 178.795 176.870 0.006 0.000 1.124 331 L CA 0.466 55.307 54.840 0.002 0.000 0.816 331 L CB 0.737 42.794 42.059 -0.003 0.000 1.129 331 L HN 0.234 nan 8.230 nan 0.000 0.448 332 T N -1.806 112.750 114.554 0.004 0.000 2.962 332 T HA -0.089 4.271 4.350 0.016 0.000 0.270 332 T C 0.989 175.696 174.700 0.012 0.000 1.088 332 T CA 1.048 63.154 62.100 0.010 0.000 1.127 332 T CB -0.080 68.793 68.868 0.007 0.000 0.883 332 T HN 0.646 nan 8.240 nan 0.000 0.493 333 E N 1.100 121.303 120.200 0.004 0.000 2.472 333 E HA 0.068 4.428 4.350 0.016 0.000 0.196 333 E C 0.150 176.750 176.600 -0.001 0.000 1.033 333 E CA -0.002 56.398 56.400 0.001 0.000 0.886 333 E CB -0.644 29.052 29.700 -0.006 0.000 0.944 333 E HN 0.333 nan 8.360 nan 0.000 0.492 334 T N 1.836 116.391 114.554 0.002 0.000 2.932 334 T HA 0.181 4.540 4.350 0.016 0.000 0.312 334 T C 0.783 175.489 174.700 0.011 0.000 1.071 334 T CA -0.103 61.999 62.100 0.004 0.000 1.128 334 T CB 1.189 70.066 68.868 0.016 0.000 0.984 334 T HN 0.018 nan 8.240 nan 0.000 0.549 335 R N 0.795 121.298 120.500 0.005 0.000 2.521 335 R HA 0.359 4.709 4.340 0.016 0.000 0.289 335 R C -0.229 176.078 176.300 0.012 0.000 0.936 335 R CA 0.002 56.106 56.100 0.007 0.000 1.089 335 R CB 0.403 30.699 30.300 -0.007 0.000 1.348 335 R HN 0.625 nan 8.270 nan 0.000 0.536 336 M N -0.370 119.244 119.600 0.023 0.000 2.322 336 M HA 0.474 4.963 4.480 0.016 0.000 0.285 336 M C -0.659 175.708 176.300 0.112 0.000 1.119 336 M CA -0.563 54.764 55.300 0.044 0.000 0.953 336 M CB 2.161 34.772 32.600 0.019 0.000 1.701 336 M HN 0.104 nan 8.290 nan 0.000 0.479 337 G N 1.851 110.712 108.800 0.101 0.000 2.736 337 G HA2 0.741 4.710 3.960 0.016 0.000 0.229 337 G HA3 0.741 4.710 3.960 0.016 0.000 0.229 337 G C -0.292 174.606 174.900 -0.002 0.000 1.380 337 G CA -0.501 44.684 45.100 0.141 0.000 1.040 337 G HN 0.821 nan 8.290 nan 0.000 0.568 338 G N -1.158 107.407 108.800 -0.391 0.000 2.476 338 G HA2 0.507 4.476 3.960 0.016 0.000 0.286 338 G HA3 0.507 4.476 3.960 0.016 0.000 0.286 338 G C 0.127 174.890 174.900 -0.227 0.000 1.177 338 G CA -0.663 44.035 45.100 -0.671 0.000 0.870 338 G HN 0.512 nan 8.290 nan 0.000 0.528 339 L N 1.333 122.482 121.223 -0.123 0.000 2.476 339 L HA 0.172 4.522 4.340 0.016 0.000 0.255 339 L C 1.890 178.741 176.870 -0.031 0.000 1.218 339 L CA -0.826 53.993 54.840 -0.035 0.000 0.819 339 L CB 0.445 42.498 42.059 -0.010 0.000 1.119 339 L HN 0.407 nan 8.230 nan 0.000 0.485 340 I N -0.091 120.397 120.570 -0.136 0.000 2.361 340 I HA -0.166 4.013 4.170 0.016 0.000 0.251 340 I C 1.061 177.058 176.117 -0.200 0.000 1.133 340 I CA 1.315 62.467 61.300 -0.247 0.000 1.413 340 I CB 0.083 37.608 38.000 -0.793 0.000 1.073 340 I HN 0.897 nan 8.210 nan 0.000 0.424 341 S N -1.641 113.827 115.700 -0.388 0.000 2.643 341 S HA 0.271 4.750 4.470 0.016 0.000 0.270 341 S C 0.260 174.214 174.600 -1.077 0.000 1.166 341 S CA -0.709 57.047 58.200 -0.739 0.000 0.815 341 S CB 2.182 65.080 63.200 -0.505 0.000 1.139 341 S HN -0.018 nan 8.310 nan 0.000 0.472 342 K N 0.895 120.515 120.400 -1.300 0.000 2.031 342 K HA 0.276 4.605 4.320 0.016 0.000 0.205 342 K C -1.244 175.095 176.600 -0.435 0.000 1.049 342 K CA 1.227 56.983 56.287 -0.886 0.000 0.939 342 K CB -1.415 30.668 32.500 -0.695 0.000 0.717 342 K HN 0.457 nan 8.250 nan 0.000 0.438 343 P HA -0.124 nan 4.420 nan 0.000 0.218 343 P C 1.055 178.273 177.300 -0.138 0.000 1.149 343 P CA 1.089 64.073 63.100 -0.192 0.000 0.817 343 P CB 0.078 31.686 31.700 -0.153 0.000 0.785 344 Q N -0.771 118.925 119.800 -0.173 0.000 2.046 344 Q HA -0.112 4.238 4.340 0.016 0.000 0.200 344 Q C 2.130 178.111 176.000 -0.032 0.000 0.975 344 Q CA 1.058 56.819 55.803 -0.071 0.000 0.836 344 Q CB -1.280 27.383 28.738 -0.126 0.000 0.896 344 Q HN 0.209 nan 8.270 nan 0.000 0.428 345 L N 1.588 122.744 121.223 -0.112 0.000 2.012 345 L HA -0.191 4.159 4.340 0.016 0.000 0.210 345 L C 1.491 178.353 176.870 -0.014 0.000 1.073 345 L CA 2.037 56.847 54.840 -0.050 0.000 0.748 345 L CB -0.692 41.316 42.059 -0.085 0.000 0.891 345 L HN 0.050 nan 8.230 nan 0.000 0.431 346 D N -0.290 120.079 120.400 -0.052 0.000 2.117 346 D HA -0.221 4.429 4.640 0.016 0.000 0.197 346 D C 2.129 178.432 176.300 0.005 0.000 0.987 346 D CA 1.457 55.440 54.000 -0.029 0.000 0.829 346 D CB -0.146 40.618 40.800 -0.059 0.000 0.961 346 D HN 0.434 nan 8.370 nan 0.000 0.460 347 K N 0.822 121.237 120.400 0.024 0.000 2.057 347 K HA -0.107 4.223 4.320 0.016 0.000 0.207 347 K C 2.004 178.728 176.600 0.207 0.000 1.049 347 K CA 0.835 57.164 56.287 0.069 0.000 0.931 347 K CB -0.027 32.542 32.500 0.115 0.000 0.714 347 K HN -0.059 nan 8.250 nan 0.000 0.440 348 V N 1.954 122.008 119.914 0.233 0.000 2.343 348 V HA -0.259 3.870 4.120 0.016 0.000 0.247 348 V C 2.367 178.596 176.094 0.226 0.000 1.051 348 V CA 1.608 64.081 62.300 0.288 0.000 1.036 348 V CB -0.360 31.572 31.823 0.181 0.000 0.654 348 V HN 0.328 nan 8.190 nan 0.000 0.451 349 L N 0.300 121.598 121.223 0.126 0.000 2.093 349 L HA -0.067 4.282 4.340 0.016 0.000 0.208 349 L C 2.659 179.573 176.870 0.074 0.000 1.085 349 L CA 1.572 56.466 54.840 0.089 0.000 0.755 349 L CB -1.149 40.939 42.059 0.049 0.000 0.904 349 L HN 0.476 nan 8.230 nan 0.000 0.435 350 G N -0.226 108.597 108.800 0.038 0.000 2.440 350 G HA2 -0.285 3.684 3.960 0.016 0.000 0.218 350 G HA3 -0.285 3.684 3.960 0.016 0.000 0.218 350 G C 1.377 176.256 174.900 -0.036 0.000 1.154 350 G CA 0.572 45.650 45.100 -0.036 0.000 0.767 350 G HN 0.179 nan 8.290 nan 0.000 0.552 351 F N 0.559 120.531 119.950 0.036 0.000 2.102 351 F HA -0.085 4.452 4.527 0.016 0.000 0.298 351 F C 2.909 178.729 175.800 0.034 0.000 1.105 351 F CA 1.084 59.108 58.000 0.040 0.000 1.239 351 F CB -0.566 38.465 39.000 0.053 0.000 0.991 351 F HN -0.016 nan 8.300 nan 0.000 0.474 352 V N -0.310 119.735 119.914 0.219 0.000 2.407 352 V HA -0.288 3.841 4.120 0.016 0.000 0.248 352 V C 2.494 178.640 176.094 0.087 0.000 1.055 352 V CA 1.648 64.028 62.300 0.133 0.000 1.049 352 V CB -1.357 30.527 31.823 0.101 0.000 0.662 352 V HN 0.367 nan 8.190 nan 0.000 0.455 353 A N -0.734 122.125 122.820 0.065 0.000 1.898 353 A HA -0.279 4.050 4.320 0.016 0.000 0.216 353 A C 2.270 179.873 177.584 0.032 0.000 1.181 353 A CA 1.914 53.973 52.037 0.036 0.000 0.620 353 A CB -0.523 18.487 19.000 0.017 0.000 0.819 353 A HN 0.571 nan 8.150 nan 0.000 0.442 354 Q N -0.450 119.368 119.800 0.030 0.000 2.124 354 Q HA -0.149 4.200 4.340 0.016 0.000 0.202 354 Q C 2.178 178.212 176.000 0.057 0.000 0.977 354 Q CA 1.523 57.342 55.803 0.027 0.000 0.850 354 Q CB -0.324 28.412 28.738 -0.005 0.000 0.901 354 Q HN 0.605 nan 8.270 nan 0.000 0.429 355 A N 1.989 124.862 122.820 0.088 0.000 1.877 355 A HA -0.238 4.091 4.320 0.016 0.000 0.216 355 A C 1.968 179.585 177.584 0.054 0.000 1.186 355 A CA 1.913 53.999 52.037 0.082 0.000 0.620 355 A CB -0.521 18.534 19.000 0.092 0.000 0.822 355 A HN 0.538 nan 8.150 nan 0.000 0.443 356 K N 0.051 120.479 120.400 0.047 0.000 2.147 356 K HA -0.124 4.206 4.320 0.016 0.000 0.205 356 K C 1.710 178.327 176.600 0.028 0.000 1.049 356 K CA 1.475 57.782 56.287 0.034 0.000 0.936 356 K CB -0.273 32.244 32.500 0.028 0.000 0.722 356 K HN 0.393 nan 8.250 nan 0.000 0.446 357 K N 1.226 121.642 120.400 0.027 0.000 2.211 357 K HA -0.086 4.244 4.320 0.016 0.000 0.203 357 K C 1.624 178.238 176.600 0.024 0.000 1.050 357 K CA 1.254 57.553 56.287 0.021 0.000 0.945 357 K CB 0.070 32.580 32.500 0.016 0.000 0.732 357 K HN 0.345 nan 8.250 nan 0.000 0.451 358 E N -0.623 119.596 120.200 0.031 0.000 2.478 358 E HA 0.022 4.382 4.350 0.016 0.000 0.194 358 E C 0.876 177.494 176.600 0.031 0.000 1.045 358 E CA 0.418 56.838 56.400 0.033 0.000 0.868 358 E CB 0.581 30.307 29.700 0.043 0.000 0.885 358 E HN 0.486 nan 8.360 nan 0.000 0.505 359 G N 1.081 109.898 108.800 0.029 0.000 2.205 359 G HA2 -0.202 3.768 3.960 0.016 0.000 0.180 359 G HA3 -0.202 3.768 3.960 0.016 0.000 0.180 359 G C 0.427 175.342 174.900 0.026 0.000 1.004 359 G CA -0.202 44.913 45.100 0.025 0.000 0.670 359 G HN 0.432 nan 8.290 nan 0.000 0.496 360 A N 0.359 123.198 122.820 0.030 0.000 2.406 360 A HA 0.660 4.989 4.320 0.016 0.000 0.243 360 A C 0.703 178.302 177.584 0.025 0.000 1.082 360 A CA 0.282 52.336 52.037 0.029 0.000 0.786 360 A CB 0.359 19.380 19.000 0.035 0.000 1.029 360 A HN 0.411 nan 8.150 nan 0.000 0.495 361 R N 1.554 122.067 120.500 0.022 0.000 2.310 361 R HA 0.415 4.764 4.340 0.016 0.000 0.324 361 R C -1.371 174.941 176.300 0.020 0.000 0.955 361 R CA -0.396 55.715 56.100 0.019 0.000 0.830 361 R CB 1.126 31.436 30.300 0.016 0.000 1.154 361 R HN 0.519 nan 8.270 nan 0.000 0.458 362 V N 7.207 127.132 119.914 0.019 0.000 2.439 362 V HA 0.052 4.182 4.120 0.016 0.000 0.271 362 V C 1.550 177.650 176.094 0.011 0.000 1.040 362 V CA 0.159 62.470 62.300 0.019 0.000 1.002 362 V CB 1.052 32.887 31.823 0.020 0.000 1.000 362 V HN 0.761 nan 8.190 nan 0.000 0.477 363 L N 4.513 125.742 121.223 0.010 0.000 2.477 363 L HA 0.204 4.554 4.340 0.016 0.000 0.220 363 L C 0.766 177.631 176.870 -0.009 0.000 1.106 363 L CA 0.446 55.287 54.840 0.000 0.000 0.851 363 L CB 0.273 42.332 42.059 -0.000 0.000 0.994 363 L HN 0.906 nan 8.230 nan 0.000 0.462 364 C N -3.418 115.878 119.300 -0.006 0.000 3.275 364 C HA 0.679 5.149 4.460 0.016 0.000 0.345 364 C C 0.610 175.590 174.990 -0.016 0.000 1.257 364 C CA -0.753 58.253 59.018 -0.020 0.000 1.203 364 C CB 0.658 28.374 27.740 -0.040 0.000 1.492 364 C HN 0.599 nan 8.230 nan 0.000 0.484 365 G N 0.850 109.634 108.800 -0.027 0.000 2.598 365 G HA2 0.375 4.344 3.960 0.016 0.000 0.269 365 G HA3 0.375 4.344 3.960 0.016 0.000 0.269 365 G C 1.273 176.175 174.900 0.003 0.000 1.289 365 G CA 1.832 46.918 45.100 -0.024 0.000 0.926 365 G HN 3.412 nan 8.290 nan 0.000 0.567 366 G N -1.338 107.472 108.800 0.016 0.000 2.132 366 G HA2 0.019 3.989 3.960 0.016 0.000 0.228 366 G HA3 0.019 3.989 3.960 0.016 0.000 0.228 366 G C 0.027 174.948 174.900 0.035 0.000 1.000 366 G CA 1.607 46.730 45.100 0.037 0.000 0.693 366 G HN 1.217 nan 8.290 nan 0.000 0.515 367 E N -0.113 120.103 120.200 0.027 0.000 2.392 367 E HA 0.503 4.863 4.350 0.016 0.000 0.269 367 E C -2.704 173.918 176.600 0.036 0.000 0.924 367 E CA -2.381 54.035 56.400 0.027 0.000 0.784 367 E CB 2.401 32.110 29.700 0.015 0.000 1.292 367 E HN 0.060 nan 8.360 nan 0.000 0.447 368 P HA 0.057 nan 4.420 nan 0.000 0.267 368 P C -0.999 176.331 177.300 0.050 0.000 1.200 368 P CA 0.125 63.258 63.100 0.054 0.000 0.772 368 P CB 0.479 32.206 31.700 0.045 0.000 0.855 369 L N 1.424 122.694 121.223 0.078 0.000 2.455 369 L HA 0.542 4.891 4.340 0.016 0.000 0.264 369 L C -1.065 175.825 176.870 0.033 0.000 0.968 369 L CA -0.228 54.635 54.840 0.040 0.000 0.827 369 L CB 2.171 44.248 42.059 0.030 0.000 1.317 369 L HN 0.225 nan 8.230 nan 0.000 0.407 370 T N 3.969 118.502 114.554 -0.034 0.000 2.864 370 T HA 0.462 4.822 4.350 0.016 0.000 0.310 370 T C -2.484 172.122 174.700 -0.156 0.000 1.040 370 T CA -1.021 61.039 62.100 -0.067 0.000 0.977 370 T CB 0.994 69.845 68.868 -0.029 0.000 0.976 370 T HN 0.413 nan 8.240 nan 0.000 0.459 371 P HA 0.215 nan 4.420 nan 0.000 0.269 371 P C 0.864 178.050 177.300 -0.191 0.000 1.217 371 P CA -0.232 62.676 63.100 -0.320 0.000 0.783 371 P CB 0.574 31.943 31.700 -0.551 0.000 0.898 372 S N -0.660 114.949 115.700 -0.152 0.000 2.359 372 S HA -0.145 4.334 4.470 0.016 0.000 0.224 372 S C 0.794 175.339 174.600 -0.092 0.000 1.035 372 S CA 1.249 59.388 58.200 -0.102 0.000 1.018 372 S CB -0.777 62.371 63.200 -0.086 0.000 0.876 372 S HN 0.687 nan 8.310 nan 0.000 0.448 373 D N 2.132 122.469 120.400 -0.105 0.000 2.451 373 D HA 0.055 4.705 4.640 0.016 0.000 0.254 373 D C -1.814 174.447 176.300 -0.065 0.000 1.204 373 D CA -1.795 52.159 54.000 -0.077 0.000 0.896 373 D CB 1.010 41.765 40.800 -0.076 0.000 1.136 373 D HN 0.002 nan 8.370 nan 0.000 0.499 374 P HA -0.173 nan 4.420 nan 0.000 0.217 374 P C 0.833 178.122 177.300 -0.018 0.000 1.148 374 P CA 1.673 64.755 63.100 -0.029 0.000 0.828 374 P CB 0.010 31.697 31.700 -0.022 0.000 0.783 375 K N -1.448 118.943 120.400 -0.014 0.000 2.486 375 K HA 0.032 4.361 4.320 0.016 0.000 0.194 375 K C 1.120 177.729 176.600 0.015 0.000 1.033 375 K CA 0.822 57.108 56.287 -0.001 0.000 1.004 375 K CB -0.549 31.950 32.500 -0.002 0.000 0.798 375 K HN 0.022 nan 8.250 nan 0.000 0.495 376 L N 0.716 121.949 121.223 0.017 0.000 2.607 376 L HA 0.217 4.566 4.340 0.016 0.000 0.228 376 L C 1.459 178.389 176.870 0.100 0.000 1.123 376 L CA 0.823 55.713 54.840 0.082 0.000 0.890 376 L CB -0.003 42.041 42.059 -0.026 0.000 1.103 376 L HN -0.023 nan 8.230 nan 0.000 0.468 377 K N 0.254 120.675 120.400 0.034 0.000 2.152 377 K HA -0.068 4.261 4.320 0.016 0.000 0.206 377 K C 1.276 177.914 176.600 0.062 0.000 1.048 377 K CA 1.270 57.577 56.287 0.032 0.000 0.933 377 K CB -0.204 32.302 32.500 0.010 0.000 0.721 377 K HN 0.379 nan 8.250 nan 0.000 0.447 378 N N -0.407 118.319 118.700 0.043 0.000 2.268 378 N HA 0.107 4.856 4.740 0.016 0.000 0.204 378 N C 0.177 175.647 175.510 -0.067 0.000 1.124 378 N CA -0.219 52.841 53.050 0.018 0.000 0.838 378 N CB 0.809 39.298 38.487 0.004 0.000 0.994 378 N HN 0.117 nan 8.380 nan 0.000 0.489 379 G N -0.145 108.651 108.800 -0.006 0.000 2.634 379 G HA2 0.023 3.993 3.960 0.016 0.000 0.255 379 G HA3 0.023 3.993 3.960 0.016 0.000 0.255 379 G C -0.690 174.028 174.900 -0.304 0.000 1.205 379 G CA -0.276 44.641 45.100 -0.305 0.000 0.884 379 G HN 0.237 nan 8.290 nan 0.000 0.549 380 Y N 0.308 120.338 120.300 -0.450 0.000 2.767 380 Y HA 0.380 4.939 4.550 0.015 0.000 0.354 380 Y C -0.218 175.467 175.900 -0.358 0.000 1.292 380 Y CA -1.451 56.455 58.100 -0.323 0.000 1.749 380 Y CB -0.802 37.480 38.460 -0.296 0.000 1.841 380 Y HN 0.150 nan 8.280 nan 0.000 0.454 381 F N 2.607 122.602 119.950 0.073 0.000 2.397 381 F HA 0.647 5.183 4.527 0.016 0.000 0.331 381 F C 0.373 176.187 175.800 0.023 0.000 1.090 381 F CA -1.022 56.994 58.000 0.028 0.000 1.065 381 F CB 1.312 40.309 39.000 -0.006 0.000 1.184 381 F HN 0.146 nan 8.300 nan 0.000 0.499 382 M N 0.269 119.994 119.600 0.207 0.000 2.618 382 M HA 0.670 5.160 4.480 0.016 0.000 0.281 382 M C -1.220 175.123 176.300 0.072 0.000 1.267 382 M CA -0.924 54.444 55.300 0.113 0.000 0.845 382 M CB 2.297 34.943 32.600 0.078 0.000 1.732 382 M HN 0.440 nan 8.290 nan 0.000 0.461 383 S N 0.680 116.394 115.700 0.024 0.000 2.513 383 S HA 0.622 5.102 4.470 0.016 0.000 0.276 383 S C -2.632 171.931 174.600 -0.061 0.000 1.254 383 S CA -1.212 56.970 58.200 -0.030 0.000 1.053 383 S CB 0.219 63.395 63.200 -0.039 0.000 0.958 383 S HN 0.596 nan 8.310 nan 0.000 0.491 384 P HA 0.148 nan 4.420 nan 0.000 0.268 384 P C -0.497 176.701 177.300 -0.170 0.000 1.204 384 P CA -0.320 62.618 63.100 -0.270 0.000 0.768 384 P CB 0.296 31.560 31.700 -0.726 0.000 0.842 385 C N 3.993 123.303 119.300 0.017 0.000 2.456 385 C HA 0.600 5.070 4.460 0.016 0.000 0.325 385 C C -0.492 174.596 174.990 0.164 0.000 1.217 385 C CA -0.286 58.774 59.018 0.071 0.000 1.687 385 C CB 0.851 28.638 27.740 0.078 0.000 2.270 385 C HN 0.387 nan 8.230 nan 0.000 0.499 386 V N 6.973 126.946 119.914 0.098 0.000 2.487 386 V HA 0.489 4.618 4.120 0.016 0.000 0.298 386 V C -0.350 175.774 176.094 0.049 0.000 1.028 386 V CA -0.329 62.027 62.300 0.093 0.000 0.860 386 V CB 1.502 33.370 31.823 0.075 0.000 0.991 386 V HN 0.770 nan 8.190 nan 0.000 0.427 387 L N 3.773 125.019 121.223 0.040 0.000 2.325 387 L HA 0.715 5.064 4.340 0.016 0.000 0.278 387 L C -0.578 176.303 176.870 0.018 0.000 1.023 387 L CA -0.372 54.484 54.840 0.026 0.000 0.811 387 L CB 1.932 44.004 42.059 0.021 0.000 1.249 387 L HN 0.536 nan 8.230 nan 0.000 0.431 388 D N 0.458 120.868 120.400 0.018 0.000 2.497 388 D HA 0.299 4.948 4.640 0.016 0.000 0.243 388 D C -0.222 176.086 176.300 0.014 0.000 1.039 388 D CA -0.436 53.574 54.000 0.017 0.000 1.052 388 D CB 1.472 42.283 40.800 0.019 0.000 1.344 388 D HN 0.471 nan 8.370 nan 0.000 0.553 389 N N -0.763 117.945 118.700 0.014 0.000 2.740 389 N HA -0.174 4.576 4.740 0.016 0.000 0.248 389 N C -1.153 174.366 175.510 0.016 0.000 1.062 389 N CA 0.463 53.523 53.050 0.016 0.000 0.704 389 N CB -1.080 37.417 38.487 0.017 0.000 0.968 389 N HN 0.263 nan 8.380 nan 0.000 0.547 390 C N -0.238 119.067 119.300 0.008 0.000 2.335 390 C HA 0.677 5.147 4.460 0.016 0.000 0.363 390 C C 1.045 176.046 174.990 0.017 0.000 1.198 390 C CA -0.511 58.510 59.018 0.006 0.000 2.279 390 C CB 1.332 29.059 27.740 -0.022 0.000 2.334 390 C HN 0.389 nan 8.230 nan 0.000 0.559 391 R N 0.472 120.988 120.500 0.027 0.000 2.837 391 R HA 0.276 4.625 4.340 0.016 0.000 0.271 391 R C 0.060 176.392 176.300 0.053 0.000 0.993 391 R CA -0.701 55.426 56.100 0.044 0.000 0.931 391 R CB 1.143 31.470 30.300 0.045 0.000 1.206 391 R HN 0.612 nan 8.270 nan 0.000 0.474 392 D N 0.737 121.183 120.400 0.077 0.000 2.263 392 D HA -0.166 4.484 4.640 0.016 0.000 0.208 392 D C 0.977 177.324 176.300 0.078 0.000 0.971 392 D CA 1.394 55.450 54.000 0.093 0.000 0.867 392 D CB 0.110 40.978 40.800 0.114 0.000 0.929 392 D HN 0.566 nan 8.370 nan 0.000 0.492 393 D N -0.755 119.684 120.400 0.065 0.000 2.339 393 D HA -0.072 4.578 4.640 0.016 0.000 0.217 393 D C 0.741 177.078 176.300 0.062 0.000 1.050 393 D CA -0.100 53.936 54.000 0.060 0.000 0.856 393 D CB -0.087 40.743 40.800 0.050 0.000 0.922 393 D HN 0.158 nan 8.370 nan 0.000 0.518 394 M N 0.880 120.517 119.600 0.062 0.000 2.248 394 M HA 0.041 4.531 4.480 0.016 0.000 0.337 394 M C 1.340 177.693 176.300 0.089 0.000 1.121 394 M CA 0.020 55.361 55.300 0.068 0.000 1.155 394 M CB 1.123 33.757 32.600 0.058 0.000 1.514 394 M HN -0.211 nan 8.290 nan 0.000 0.452 395 T N 1.084 115.704 114.554 0.110 0.000 2.759 395 T HA -0.168 4.192 4.350 0.016 0.000 0.269 395 T C 1.650 176.465 174.700 0.192 0.000 1.042 395 T CA 1.886 64.084 62.100 0.163 0.000 1.140 395 T CB -0.479 68.499 68.868 0.184 0.000 0.864 395 T HN 0.954 nan 8.240 nan 0.000 0.455 396 C N 0.795 120.190 119.300 0.158 0.000 2.448 396 C HA 0.175 4.644 4.460 0.016 0.000 0.280 396 C C 2.493 177.495 174.990 0.020 0.000 1.398 396 C CA -0.343 58.729 59.018 0.091 0.000 1.774 396 C CB -1.414 26.381 27.740 0.092 0.000 1.888 396 C HN 0.311 nan 8.230 nan 0.000 0.519 397 V N 0.965 120.902 119.914 0.038 0.000 2.951 397 V HA -0.029 4.101 4.120 0.016 0.000 0.255 397 V C 2.621 178.753 176.094 0.064 0.000 1.088 397 V CA 1.692 64.003 62.300 0.019 0.000 1.109 397 V CB -0.575 31.260 31.823 0.019 0.000 0.724 397 V HN 0.581 nan 8.190 nan 0.000 0.471 398 K N -0.224 120.236 120.400 0.101 0.000 2.202 398 K HA 0.119 4.448 4.320 0.016 0.000 0.201 398 K C 0.539 177.267 176.600 0.213 0.000 1.051 398 K CA 0.389 56.766 56.287 0.149 0.000 0.977 398 K CB 0.279 32.858 32.500 0.130 0.000 0.792 398 K HN 0.434 nan 8.250 nan 0.000 0.469 399 E N 1.678 121.978 120.200 0.167 0.000 2.242 399 E HA 0.067 4.426 4.350 0.016 0.000 0.275 399 E C -0.897 175.713 176.600 0.017 0.000 1.002 399 E CA -0.345 56.169 56.400 0.190 0.000 0.841 399 E CB 1.629 31.474 29.700 0.242 0.000 1.109 399 E HN 0.116 nan 8.360 nan 0.000 0.394 400 E N 2.786 123.009 120.200 0.040 0.000 2.299 400 E HA 0.020 4.379 4.350 0.016 0.000 0.272 400 E C 0.421 176.910 176.600 -0.184 0.000 1.043 400 E CA -0.043 56.288 56.400 -0.115 0.000 0.895 400 E CB 0.367 29.982 29.700 -0.142 0.000 1.011 400 E HN 0.492 nan 8.360 nan 0.000 0.432 401 I N 4.206 124.602 120.570 -0.290 0.000 2.494 401 I HA -0.037 4.143 4.170 0.016 0.000 0.250 401 I C 0.480 176.611 176.117 0.023 0.000 1.112 401 I CA 0.065 61.087 61.300 -0.464 0.000 1.438 401 I CB 0.062 37.768 38.000 -0.491 0.000 1.111 401 I HN 0.691 nan 8.210 nan 0.000 0.431 402 F N 1.688 121.570 119.950 -0.113 0.000 3.056 402 F HA -0.152 4.384 4.527 0.015 0.000 0.301 402 F C 0.326 176.170 175.800 0.073 0.000 0.907 402 F CA 0.574 58.577 58.000 0.006 0.000 1.113 402 F CB -1.289 37.756 39.000 0.074 0.000 1.123 402 F HN 0.167 nan 8.300 nan 0.000 0.661 403 G N -0.358 108.464 108.800 0.037 0.000 2.727 403 G HA2 0.684 4.654 3.960 0.016 0.000 0.289 403 G HA3 0.684 4.654 3.960 0.016 0.000 0.289 403 G C -3.147 171.775 174.900 0.037 0.000 1.418 403 G CA -0.872 44.257 45.100 0.048 0.000 0.818 403 G HN -0.119 nan 8.290 nan 0.000 0.486 404 P HA 0.352 nan 4.420 nan 0.000 0.238 404 P C -0.751 176.728 177.300 0.299 0.000 1.794 404 P CA -0.212 63.052 63.100 0.274 0.000 1.088 404 P CB 0.616 32.489 31.700 0.287 0.000 1.923 405 V N 4.573 124.573 119.914 0.144 0.000 2.439 405 V HA 0.270 4.400 4.120 0.016 0.000 0.277 405 V C 0.219 176.305 176.094 -0.013 0.000 1.008 405 V CA -0.504 61.850 62.300 0.090 0.000 0.846 405 V CB 1.809 33.652 31.823 0.034 0.000 1.031 405 V HN 0.430 nan 8.190 nan 0.000 0.441 406 M N 3.497 123.098 119.600 0.000 0.000 2.120 406 M HA 0.430 4.920 4.480 0.016 0.000 0.354 406 M C -0.164 176.105 176.300 -0.052 0.000 1.287 406 M CA 0.334 55.575 55.300 -0.098 0.000 1.103 406 M CB 0.909 33.435 32.600 -0.122 0.000 1.623 406 M HN 0.572 nan 8.290 nan 0.000 0.471 407 S N 4.163 119.806 115.700 -0.095 0.000 2.442 407 S HA 0.563 5.043 4.470 0.016 0.000 0.297 407 S C -0.709 173.812 174.600 -0.131 0.000 1.131 407 S CA -0.755 57.391 58.200 -0.090 0.000 1.092 407 S CB 1.226 64.364 63.200 -0.104 0.000 0.998 407 S HN 0.596 nan 8.310 nan 0.000 0.478 408 V N 5.109 124.973 119.914 -0.082 0.000 2.495 408 V HA 0.627 4.757 4.120 0.016 0.000 0.298 408 V C -0.789 175.248 176.094 -0.095 0.000 1.031 408 V CA -0.691 61.563 62.300 -0.077 0.000 0.871 408 V CB 1.251 33.108 31.823 0.057 0.000 0.988 408 V HN 0.682 nan 8.190 nan 0.000 0.432 409 L N 6.630 127.767 121.223 -0.143 0.000 2.445 409 L HA 0.651 5.000 4.340 0.016 0.000 0.262 409 L C -2.636 174.262 176.870 0.046 0.000 0.974 409 L CA -1.400 53.397 54.840 -0.072 0.000 0.822 409 L CB 2.825 44.793 42.059 -0.152 0.000 1.339 409 L HN 0.412 nan 8.230 nan 0.000 0.409 410 P HA 0.469 nan 4.420 nan 0.000 0.279 410 P C -1.364 176.060 177.300 0.207 0.000 1.252 410 P CA -0.342 62.795 63.100 0.062 0.000 0.811 410 P CB 1.172 32.880 31.700 0.015 0.000 1.035 411 F N -1.018 118.943 119.950 0.017 0.000 2.645 411 F HA 0.552 5.089 4.527 0.016 0.000 0.310 411 F C -0.022 175.766 175.800 -0.020 0.000 1.102 411 F CA -0.823 57.179 58.000 0.003 0.000 0.952 411 F CB 0.909 39.886 39.000 -0.038 0.000 1.326 411 F HN 0.078 nan 8.300 nan 0.000 0.456 412 D N -0.103 120.403 120.400 0.176 0.000 2.597 412 D HA 0.085 4.734 4.640 0.016 0.000 0.261 412 D C 0.464 176.887 176.300 0.204 0.000 1.023 412 D CA 1.340 55.375 54.000 0.058 0.000 0.927 412 D CB 0.923 41.755 40.800 0.054 0.000 1.168 412 D HN 0.689 nan 8.370 nan 0.000 0.491 413 T N -2.010 112.746 114.554 0.338 0.000 2.916 413 T HA 0.315 4.674 4.350 0.016 0.000 0.292 413 T C 0.811 175.698 174.700 0.312 0.000 1.064 413 T CA -0.743 61.540 62.100 0.305 0.000 1.011 413 T CB 3.103 72.067 68.868 0.159 0.000 1.152 413 T HN -0.138 nan 8.240 nan 0.000 0.510 414 E N 0.351 120.732 120.200 0.301 0.000 2.047 414 E HA -0.205 4.154 4.350 0.016 0.000 0.191 414 E C 1.750 178.381 176.600 0.052 0.000 0.987 414 E CA 1.415 57.959 56.400 0.241 0.000 0.799 414 E CB -0.050 29.782 29.700 0.219 0.000 0.752 414 E HN 0.854 nan 8.360 nan 0.000 0.449 415 E N 0.638 120.866 120.200 0.048 0.000 2.077 415 E HA -0.259 4.100 4.350 0.016 0.000 0.193 415 E C 2.106 178.688 176.600 -0.029 0.000 0.989 415 E CA 1.305 57.708 56.400 0.004 0.000 0.800 415 E CB -0.099 29.612 29.700 0.017 0.000 0.746 415 E HN 0.312 nan 8.360 nan 0.000 0.452 416 E N 0.250 120.444 120.200 -0.010 0.000 2.023 416 E HA -0.209 4.150 4.350 0.016 0.000 0.196 416 E C 2.207 178.709 176.600 -0.164 0.000 1.003 416 E CA 2.342 58.719 56.400 -0.038 0.000 0.809 416 E CB -0.051 29.669 29.700 0.033 0.000 0.755 416 E HN 0.299 nan 8.360 nan 0.000 0.449 417 V N 0.566 120.292 119.914 -0.312 0.000 2.332 417 V HA -0.268 3.862 4.120 0.016 0.000 0.248 417 V C 2.730 178.499 176.094 -0.541 0.000 1.055 417 V CA 1.661 63.557 62.300 -0.674 0.000 1.038 417 V CB -0.999 30.069 31.823 -1.257 0.000 0.651 417 V HN 0.228 nan 8.190 nan 0.000 0.450 418 L N 0.889 121.918 121.223 -0.324 0.000 2.043 418 L HA -0.288 4.062 4.340 0.016 0.000 0.212 418 L C 2.956 179.724 176.870 -0.171 0.000 1.075 418 L CA 2.450 57.165 54.840 -0.208 0.000 0.752 418 L CB -0.613 41.383 42.059 -0.105 0.000 0.891 418 L HN 0.592 nan 8.230 nan 0.000 0.432 419 Q N -0.245 119.469 119.800 -0.144 0.000 2.123 419 Q HA -0.166 4.183 4.340 0.016 0.000 0.199 419 Q C 2.061 178.001 176.000 -0.100 0.000 0.966 419 Q CA 1.227 56.975 55.803 -0.090 0.000 0.845 419 Q CB -0.272 28.434 28.738 -0.053 0.000 0.907 419 Q HN 0.309 nan 8.270 nan 0.000 0.439 420 R N 0.424 120.821 120.500 -0.172 0.000 2.119 420 R HA 0.170 4.520 4.340 0.016 0.000 0.222 420 R C 2.376 178.592 176.300 -0.140 0.000 1.088 420 R CA 1.004 57.027 56.100 -0.129 0.000 0.984 420 R CB -0.404 29.814 30.300 -0.136 0.000 0.884 420 R HN 0.411 nan 8.270 nan 0.000 0.447 421 A N 1.429 124.044 122.820 -0.342 0.000 1.930 421 A HA -0.120 4.210 4.320 0.016 0.000 0.217 421 A C 1.558 179.135 177.584 -0.011 0.000 1.175 421 A CA 1.326 53.267 52.037 -0.159 0.000 0.627 421 A CB -0.211 18.634 19.000 -0.258 0.000 0.815 421 A HN 0.200 nan 8.150 nan 0.000 0.443 422 N N -0.244 118.436 118.700 -0.034 0.000 2.353 422 N HA -0.033 4.717 4.740 0.016 0.000 0.185 422 N C 0.347 175.878 175.510 0.034 0.000 1.098 422 N CA 0.126 53.184 53.050 0.013 0.000 0.872 422 N CB -0.450 38.037 38.487 -0.000 0.000 0.970 422 N HN 0.630 nan 8.380 nan 0.000 0.467 423 N N 0.924 119.643 118.700 0.032 0.000 3.178 423 N HA -0.008 4.741 4.740 0.016 0.000 0.300 423 N C -0.827 174.722 175.510 0.065 0.000 1.242 423 N CA 0.150 53.224 53.050 0.041 0.000 1.192 423 N CB 0.164 38.671 38.487 0.035 0.000 1.463 423 N HN -0.049 nan 8.380 nan 0.000 0.539 424 T N -1.309 113.287 114.554 0.069 0.000 2.802 424 T HA 0.095 4.454 4.350 0.016 0.000 0.311 424 T C 0.571 175.291 174.700 0.033 0.000 1.405 424 T CA -0.457 61.689 62.100 0.077 0.000 1.016 424 T CB 1.665 70.637 68.868 0.173 0.000 1.352 424 T HN 0.031 nan 8.240 nan 0.000 0.498 425 T N 1.241 115.759 114.554 -0.061 0.000 3.065 425 T HA 0.349 4.709 4.350 0.016 0.000 0.252 425 T C 0.220 174.868 174.700 -0.088 0.000 1.099 425 T CA 0.096 62.130 62.100 -0.111 0.000 1.063 425 T CB -0.430 68.318 68.868 -0.199 0.000 0.948 425 T HN 0.378 nan 8.240 nan 0.000 0.506 426 F N 0.874 120.855 119.950 0.052 0.000 2.435 426 F HA 0.541 5.077 4.527 0.015 0.000 0.316 426 F C 1.562 177.399 175.800 0.062 0.000 1.220 426 F CA -0.247 57.785 58.000 0.054 0.000 1.241 426 F CB 0.700 39.733 39.000 0.054 0.000 1.234 426 F HN 0.009 nan 8.300 nan 0.000 0.569 427 G N 1.094 110.066 108.800 0.286 0.000 5.312 427 G HA2 0.224 4.194 3.960 0.016 0.000 0.204 427 G HA3 0.224 4.194 3.960 0.016 0.000 0.204 427 G C 0.003 174.950 174.900 0.079 0.000 1.097 427 G CA -0.250 44.950 45.100 0.165 0.000 0.621 427 G HN 0.556 nan 8.290 nan 0.000 0.290 428 L N 0.713 121.979 121.223 0.072 0.000 2.022 428 L HA 0.785 5.134 4.340 0.016 0.000 0.204 428 L C 1.322 178.182 176.870 -0.016 0.000 1.076 428 L CA 2.356 57.208 54.840 0.020 0.000 0.749 428 L CB -0.195 41.898 42.059 0.057 0.000 0.903 428 L HN 0.410 nan 8.230 nan 0.000 0.439 429 A N -2.204 120.636 122.820 0.032 0.000 2.486 429 A HA 0.861 5.191 4.320 0.016 0.000 0.277 429 A C -0.761 176.843 177.584 0.034 0.000 1.282 429 A CA 0.211 52.246 52.037 -0.004 0.000 0.784 429 A CB 1.071 20.126 19.000 0.091 0.000 1.350 429 A HN 0.435 nan 8.150 nan 0.000 0.454 430 S N -2.513 113.205 115.700 0.031 0.000 2.656 430 S HA 0.754 5.233 4.470 0.016 0.000 0.265 430 S C -0.445 174.272 174.600 0.194 0.000 1.110 430 S CA -0.182 58.105 58.200 0.144 0.000 0.821 430 S CB 0.657 63.883 63.200 0.043 0.000 1.099 430 S HN 2.392 nan 8.310 nan 0.000 0.471 431 G N -0.982 108.004 108.800 0.311 0.000 2.692 431 G HA2 0.750 4.720 3.960 0.016 0.000 0.291 431 G HA3 0.750 4.720 3.960 0.016 0.000 0.291 431 G C -1.906 173.128 174.900 0.224 0.000 1.423 431 G CA -0.411 44.881 45.100 0.320 0.000 0.843 431 G HN 1.626 nan 8.290 nan 0.000 0.486 432 V N 0.200 120.189 119.914 0.125 0.000 2.777 432 V HA 0.744 4.874 4.120 0.016 0.000 0.306 432 V C -1.824 174.293 176.094 0.038 0.000 1.112 432 V CA -0.948 61.449 62.300 0.161 0.000 0.917 432 V CB 1.527 33.428 31.823 0.130 0.000 1.018 432 V HN 0.604 nan 8.190 nan 0.000 0.426 433 F N 4.798 124.870 119.950 0.204 0.000 2.402 433 F HA 0.824 5.362 4.527 0.018 0.000 0.355 433 F C 0.382 176.317 175.800 0.225 0.000 1.123 433 F CA -0.059 58.044 58.000 0.171 0.000 1.021 433 F CB 2.030 41.113 39.000 0.138 0.000 1.160 433 F HN 0.598 nan 8.300 nan 0.000 0.451 434 T N 2.844 117.537 114.554 0.231 0.000 2.893 434 T HA 0.303 4.663 4.350 0.016 0.000 0.337 434 T C 0.319 175.052 174.700 0.055 0.000 1.587 434 T CA -0.619 61.574 62.100 0.155 0.000 1.066 434 T CB 1.379 70.263 68.868 0.026 0.000 1.414 434 T HN 0.554 nan 8.240 nan 0.000 0.488 435 R N 0.984 121.509 120.500 0.042 0.000 2.206 435 R HA 0.165 4.515 4.340 0.016 0.000 0.198 435 R C -0.008 176.280 176.300 -0.020 0.000 0.986 435 R CA 0.112 56.222 56.100 0.016 0.000 1.029 435 R CB -0.298 30.025 30.300 0.038 0.000 0.966 435 R HN 0.685 nan 8.270 nan 0.000 0.487 436 D N 1.355 121.731 120.400 -0.041 0.000 2.434 436 D HA -0.060 4.589 4.640 0.016 0.000 0.252 436 D C 1.425 177.685 176.300 -0.067 0.000 1.185 436 D CA 0.045 54.013 54.000 -0.053 0.000 0.886 436 D CB 0.617 41.372 40.800 -0.075 0.000 1.148 436 D HN 0.025 nan 8.370 nan 0.000 0.483 437 I N 2.908 123.459 120.570 -0.032 0.000 2.163 437 I HA -0.303 3.877 4.170 0.016 0.000 0.243 437 I C 1.638 177.773 176.117 0.031 0.000 1.085 437 I CA 1.240 62.537 61.300 -0.005 0.000 1.347 437 I CB 0.076 38.111 38.000 0.059 0.000 1.044 437 I HN 0.372 nan 8.210 nan 0.000 0.408 438 S N 0.551 116.264 115.700 0.022 0.000 2.368 438 S HA -0.201 4.279 4.470 0.016 0.000 0.224 438 S C 1.994 176.575 174.600 -0.031 0.000 1.029 438 S CA 1.478 59.695 58.200 0.028 0.000 0.988 438 S CB -0.396 62.806 63.200 0.003 0.000 0.838 438 S HN 0.460 nan 8.310 nan 0.000 0.462 439 R N 1.443 121.883 120.500 -0.101 0.000 2.081 439 R HA -0.086 4.264 4.340 0.016 0.000 0.235 439 R C 2.339 178.528 176.300 -0.185 0.000 1.131 439 R CA 1.372 57.360 56.100 -0.186 0.000 0.960 439 R CB -0.543 29.566 30.300 -0.317 0.000 0.856 439 R HN 0.361 nan 8.270 nan 0.000 0.436 440 A N 0.680 123.380 122.820 -0.199 0.000 1.851 440 A HA -0.214 4.116 4.320 0.016 0.000 0.216 440 A C 1.960 179.399 177.584 -0.243 0.000 1.195 440 A CA 1.733 53.620 52.037 -0.251 0.000 0.622 440 A CB -0.997 17.785 19.000 -0.362 0.000 0.831 440 A HN 0.499 nan 8.150 nan 0.000 0.444 441 H N -1.053 117.982 119.070 -0.057 0.000 2.423 441 H HA -0.068 4.498 4.556 0.017 0.000 0.297 441 H C 2.246 177.546 175.328 -0.046 0.000 1.075 441 H CA 1.617 57.636 56.048 -0.048 0.000 1.342 441 H CB -0.178 29.559 29.762 -0.040 0.000 1.395 441 H HN 0.594 nan 8.280 nan 0.000 0.530 442 R N 0.821 121.351 120.500 0.051 0.000 2.062 442 R HA -0.070 4.279 4.340 0.016 0.000 0.229 442 R C 2.214 178.510 176.300 -0.007 0.000 1.128 442 R CA 1.063 57.171 56.100 0.014 0.000 0.960 442 R CB -0.213 30.079 30.300 -0.013 0.000 0.855 442 R HN -0.005 nan 8.270 nan 0.000 0.432 443 V N 1.370 121.265 119.914 -0.031 0.000 2.343 443 V HA -0.222 3.907 4.120 0.016 0.000 0.247 443 V C 2.492 178.579 176.094 -0.011 0.000 1.051 443 V CA 1.928 64.220 62.300 -0.014 0.000 1.036 443 V CB -0.614 31.215 31.823 0.011 0.000 0.654 443 V HN 0.581 nan 8.190 nan 0.000 0.451 444 A N -0.155 122.653 122.820 -0.021 0.000 1.902 444 A HA -0.115 4.214 4.320 0.016 0.000 0.217 444 A C 2.407 179.979 177.584 -0.019 0.000 1.181 444 A CA 2.031 54.049 52.037 -0.030 0.000 0.623 444 A CB -0.709 18.271 19.000 -0.033 0.000 0.818 444 A HN 0.575 nan 8.150 nan 0.000 0.443 445 A N 0.009 122.833 122.820 0.007 0.000 1.930 445 A HA -0.143 4.187 4.320 0.016 0.000 0.217 445 A C 1.773 179.364 177.584 0.010 0.000 1.175 445 A CA 1.632 53.677 52.037 0.013 0.000 0.627 445 A CB -0.448 18.565 19.000 0.022 0.000 0.815 445 A HN 0.524 nan 8.150 nan 0.000 0.443 446 N N -0.544 118.157 118.700 0.002 0.000 2.412 446 N HA 0.085 4.834 4.740 0.016 0.000 0.184 446 N C -0.258 175.250 175.510 -0.003 0.000 1.101 446 N CA 0.110 53.161 53.050 0.002 0.000 0.881 446 N CB -0.085 38.399 38.487 -0.005 0.000 0.969 446 N HN 0.237 nan 8.380 nan 0.000 0.459 447 L N 1.758 122.971 121.223 -0.017 0.000 2.367 447 L HA 0.124 4.474 4.340 0.016 0.000 0.275 447 L C 0.443 177.295 176.870 -0.030 0.000 1.129 447 L CA -0.007 54.815 54.840 -0.030 0.000 0.839 447 L CB 0.343 42.376 42.059 -0.044 0.000 1.133 447 L HN 0.016 nan 8.230 nan 0.000 0.453 448 E N 3.696 123.897 120.200 0.001 0.000 1.964 448 E HA 0.547 4.906 4.350 0.016 0.000 0.264 448 E C -0.576 175.996 176.600 -0.047 0.000 1.120 448 E CA -0.209 56.229 56.400 0.063 0.000 1.061 448 E CB 0.545 30.321 29.700 0.127 0.000 1.190 448 E HN 0.642 nan 8.360 nan 0.000 0.459 449 A N 0.316 122.886 122.820 -0.416 0.000 2.612 449 A HA 0.598 4.928 4.320 0.016 0.000 0.293 449 A C 0.925 177.851 177.584 -1.096 0.000 1.075 449 A CA -0.405 51.300 52.037 -0.553 0.000 0.680 449 A CB 1.010 19.875 19.000 -0.226 0.000 1.279 449 A HN 0.440 nan 8.150 nan 0.000 0.411 450 G N -0.428 107.904 108.800 -0.780 0.000 2.443 450 G HA2 0.322 4.292 3.960 0.016 0.000 0.219 450 G HA3 0.322 4.292 3.960 0.016 0.000 0.219 450 G C 0.501 175.189 174.900 -0.353 0.000 1.131 450 G CA 1.721 46.488 45.100 -0.555 0.000 0.775 450 G HN 0.870 nan 8.290 nan 0.000 0.547 451 T N -0.893 113.467 114.554 -0.325 0.000 2.886 451 T HA 0.451 4.811 4.350 0.016 0.000 0.292 451 T C -1.357 173.089 174.700 -0.423 0.000 1.012 451 T CA -0.492 61.398 62.100 -0.351 0.000 0.982 451 T CB 2.233 70.886 68.868 -0.358 0.000 1.018 451 T HN 0.049 nan 8.240 nan 0.000 0.451 452 C N 4.229 123.263 119.300 -0.443 0.000 2.396 452 C HA 0.723 5.193 4.460 0.016 0.000 0.321 452 C C -1.363 173.339 174.990 -0.480 0.000 1.233 452 C CA -0.865 57.919 59.018 -0.390 0.000 1.440 452 C CB -0.665 26.954 27.740 -0.201 0.000 2.110 452 C HN 0.893 nan 8.230 nan 0.000 0.473 453 Y N 5.296 125.455 120.300 -0.234 0.000 2.313 453 Y HA 0.584 5.144 4.550 0.017 0.000 0.332 453 Y C 0.621 176.386 175.900 -0.226 0.000 1.071 453 Y CA -0.576 57.373 58.100 -0.251 0.000 1.169 453 Y CB 0.643 38.883 38.460 -0.366 0.000 1.192 453 Y HN 0.471 nan 8.280 nan 0.000 0.487 454 I N 3.607 124.123 120.570 -0.090 0.000 2.328 454 I HA 0.193 4.372 4.170 0.016 0.000 0.287 454 I C -0.178 175.751 176.117 -0.313 0.000 1.012 454 I CA -0.363 60.816 61.300 -0.202 0.000 1.195 454 I CB 0.526 38.416 38.000 -0.184 0.000 1.350 454 I HN 0.826 nan 8.210 nan 0.000 0.464 455 N N 2.469 120.769 118.700 -0.668 0.000 2.776 455 N HA -0.186 4.564 4.740 0.016 0.000 0.249 455 N C -0.164 175.018 175.510 -0.547 0.000 1.111 455 N CA 1.002 53.522 53.050 -0.884 0.000 0.711 455 N CB -0.407 37.896 38.487 -0.307 0.000 1.065 455 N HN 0.744 nan 8.380 nan 0.000 0.556 456 T N -1.848 112.416 114.554 -0.483 0.000 2.658 456 T HA 0.568 4.927 4.350 0.016 0.000 0.306 456 T C -2.393 172.338 174.700 0.053 0.000 1.544 456 T CA -0.505 61.588 62.100 -0.010 0.000 0.991 456 T CB 1.124 69.970 68.868 -0.036 0.000 1.774 456 T HN 0.172 nan 8.240 nan 0.000 0.479 457 Y N -0.021 120.146 120.300 -0.222 0.000 2.565 457 Y HA 0.471 5.032 4.550 0.018 0.000 0.330 457 Y C 0.444 175.881 175.900 -0.773 0.000 1.150 457 Y CA 0.306 58.058 58.100 -0.580 0.000 1.055 457 Y CB 1.936 40.279 38.460 -0.194 0.000 1.337 457 Y HN 0.850 nan 8.280 nan 0.000 0.457 458 S N 2.066 117.023 115.700 -1.238 0.000 3.490 458 S HA -0.160 4.319 4.470 0.016 0.000 0.301 458 S C -0.322 174.049 174.600 -0.382 0.000 1.233 458 S CA 0.635 58.520 58.200 -0.525 0.000 0.914 458 S CB -1.386 61.739 63.200 -0.123 0.000 1.047 458 S HN 0.435 nan 8.310 nan 0.000 0.602 459 I N 1.568 121.901 120.570 -0.394 0.000 2.696 459 I HA 0.296 4.476 4.170 0.016 0.000 0.284 459 I C 0.890 176.997 176.117 -0.017 0.000 1.129 459 I CA 0.176 61.408 61.300 -0.114 0.000 1.410 459 I CB 1.077 39.060 38.000 -0.029 0.000 1.399 459 I HN 0.133 nan 8.210 nan 0.000 0.579 460 S N 5.697 121.371 115.700 -0.044 0.000 2.204 460 S HA 0.350 4.830 4.470 0.016 0.000 0.147 460 S C -2.278 172.274 174.600 -0.080 0.000 1.711 460 S CA -0.836 57.327 58.200 -0.061 0.000 1.274 460 S CB 0.499 63.690 63.200 -0.016 0.000 1.257 460 S HN 0.460 nan 8.310 nan 0.000 0.404 461 P HA 0.137 nan 4.420 nan 0.000 0.271 461 P C 1.185 178.333 177.300 -0.253 0.000 1.216 461 P CA -0.529 62.488 63.100 -0.138 0.000 0.771 461 P CB 0.643 32.278 31.700 -0.109 0.000 0.864 462 V N 0.483 120.202 119.914 -0.325 0.000 2.809 462 V HA -0.168 3.962 4.120 0.016 0.000 0.256 462 V C 1.509 177.133 176.094 -0.784 0.000 1.080 462 V CA 1.341 63.304 62.300 -0.561 0.000 1.102 462 V CB -1.465 29.976 31.823 -0.638 0.000 0.705 462 V HN 0.354 nan 8.190 nan 0.000 0.475 463 E N 1.328 121.202 120.200 -0.544 0.000 2.338 463 E HA 0.029 4.389 4.350 0.016 0.000 0.197 463 E C 0.704 177.171 176.600 -0.223 0.000 1.007 463 E CA 0.992 57.153 56.400 -0.399 0.000 0.849 463 E CB -0.102 29.511 29.700 -0.146 0.000 0.774 463 E HN 0.816 nan 8.360 nan 0.000 0.506 464 V N -3.029 116.760 119.914 -0.209 0.000 2.914 464 V HA 0.575 4.704 4.120 0.016 0.000 0.314 464 V C -2.827 173.218 176.094 -0.081 0.000 1.084 464 V CA -3.234 59.007 62.300 -0.100 0.000 0.963 464 V CB 2.066 33.845 31.823 -0.073 0.000 1.025 464 V HN -0.256 nan 8.190 nan 0.000 0.432 465 P HA 0.412 nan 4.420 nan 0.000 0.272 465 P C -1.273 176.074 177.300 0.078 0.000 1.230 465 P CA 0.090 63.213 63.100 0.038 0.000 0.788 465 P CB 0.331 32.076 31.700 0.074 0.000 0.949 466 F N 0.792 120.685 119.950 -0.095 0.000 2.574 466 F HA 0.726 5.261 4.527 0.013 0.000 0.313 466 F C -0.390 175.378 175.800 -0.053 0.000 1.130 466 F CA 0.013 57.956 58.000 -0.095 0.000 0.936 466 F CB 1.759 40.679 39.000 -0.134 0.000 1.219 466 F HN 0.622 nan 8.300 nan 0.000 0.445 467 G N 2.294 110.566 108.800 -0.880 0.000 2.322 467 G HA2 0.473 4.442 3.960 0.016 0.000 0.295 467 G HA3 0.473 4.442 3.960 0.016 0.000 0.295 467 G C -1.238 173.398 174.900 -0.439 0.000 1.369 467 G CA -0.225 44.398 45.100 -0.796 0.000 0.821 467 G HN 1.058 nan 8.290 nan 0.000 0.536 468 G N -1.532 107.118 108.800 -0.249 0.000 2.504 468 G HA2 0.578 4.547 3.960 0.016 0.000 0.288 468 G HA3 0.578 4.547 3.960 0.016 0.000 0.288 468 G C -1.232 173.788 174.900 0.201 0.000 1.182 468 G CA -0.323 44.748 45.100 -0.048 0.000 0.894 468 G HN 0.423 nan 8.290 nan 0.000 0.521 469 Y N -0.055 120.233 120.300 -0.020 0.000 2.567 469 Y HA 0.438 4.995 4.550 0.013 0.000 0.333 469 Y C 1.278 177.203 175.900 0.041 0.000 1.106 469 Y CA -1.248 56.862 58.100 0.017 0.000 1.157 469 Y CB 1.776 40.246 38.460 0.015 0.000 1.277 469 Y HN 0.860 nan 8.280 nan 0.000 0.490 470 K N -0.276 120.226 120.400 0.169 0.000 1.824 470 K HA -0.327 4.003 4.320 0.016 0.000 0.120 470 K C 0.850 177.507 176.600 0.095 0.000 1.268 470 K CA 2.110 58.462 56.287 0.108 0.000 0.420 470 K CB -1.020 31.546 32.500 0.109 0.000 0.586 470 K HN 0.679 nan 8.250 nan 0.000 0.907 471 M N 0.927 120.566 119.600 0.064 0.000 2.628 471 M HA 0.011 4.500 4.480 0.016 0.000 0.232 471 M C 0.956 177.309 176.300 0.088 0.000 1.128 471 M CA 0.635 55.953 55.300 0.029 0.000 1.040 471 M CB 0.164 32.723 32.600 -0.068 0.000 1.608 471 M HN 0.290 nan 8.290 nan 0.000 0.507 472 S N 0.474 116.259 115.700 0.142 0.000 2.593 472 S HA 0.332 4.811 4.470 0.016 0.000 0.217 472 S C 0.842 175.450 174.600 0.013 0.000 0.966 472 S CA 0.440 58.728 58.200 0.146 0.000 0.914 472 S CB 0.042 63.336 63.200 0.156 0.000 0.776 472 S HN 0.772 nan 8.310 nan 0.000 0.523 473 G N 1.286 110.060 108.800 -0.045 0.000 2.434 473 G HA2 0.106 4.075 3.960 0.016 0.000 0.671 473 G HA3 0.106 4.075 3.960 0.016 0.000 0.671 473 G C -1.022 173.783 174.900 -0.158 0.000 1.280 473 G CA -0.582 44.374 45.100 -0.240 0.000 0.975 473 G HN 0.463 nan 8.290 nan 0.000 0.510 474 F N -2.014 117.898 119.950 -0.064 0.000 2.692 474 F HA 0.948 5.484 4.527 0.015 0.000 0.320 474 F C 0.703 176.372 175.800 -0.218 0.000 1.123 474 F CA -0.525 57.411 58.000 -0.106 0.000 0.961 474 F CB 1.075 40.034 39.000 -0.069 0.000 1.383 474 F HN 2.518 nan 8.300 nan 0.000 0.483 475 G N 1.128 109.897 108.800 -0.052 0.000 2.746 475 G HA2 0.292 4.261 3.960 0.016 0.000 0.685 475 G HA3 0.292 4.261 3.960 0.016 0.000 0.685 475 G C -1.480 173.087 174.900 -0.555 0.000 1.350 475 G CA -1.029 43.636 45.100 -0.724 0.000 0.837 475 G HN 0.812 nan 8.290 nan 0.000 0.564 476 R N 0.049 120.153 120.500 -0.659 0.000 2.836 476 R HA 0.803 5.152 4.340 0.016 0.000 0.269 476 R C -0.583 175.679 176.300 -0.063 0.000 1.010 476 R CA -0.931 55.037 56.100 -0.221 0.000 0.930 476 R CB 1.863 32.165 30.300 0.005 0.000 1.218 476 R HN 0.717 nan 8.270 nan 0.000 0.473 477 E N 0.867 121.082 120.200 0.024 0.000 2.317 477 E HA 0.465 4.825 4.350 0.016 0.000 0.270 477 E C -1.099 175.486 176.600 -0.025 0.000 0.885 477 E CA -0.500 55.936 56.400 0.060 0.000 0.760 477 E CB 1.221 30.979 29.700 0.097 0.000 1.227 477 E HN 0.499 nan 8.360 nan 0.000 0.434 478 N N 0.655 119.338 118.700 -0.028 0.000 5.558 478 N HA -0.122 4.627 4.740 0.016 0.000 0.377 478 N C 0.080 175.607 175.510 0.029 0.000 1.295 478 N CA 1.236 54.216 53.050 -0.117 0.000 2.509 478 N CB -0.845 37.358 38.487 -0.472 0.000 0.579 478 N HN 0.980 nan 8.380 nan 0.000 0.690 479 G N -0.226 108.489 108.800 -0.142 0.000 2.750 479 G HA2 -0.290 3.680 3.960 0.016 0.000 0.228 479 G HA3 -0.290 3.680 3.960 0.016 0.000 0.228 479 G C 0.503 175.560 174.900 0.262 0.000 1.367 479 G CA 0.747 45.853 45.100 0.010 0.000 0.871 479 G HN 0.723 nan 8.290 nan 0.000 0.560 480 Q N -0.325 119.608 119.800 0.220 0.000 2.269 480 Q HA 0.319 4.668 4.340 0.016 0.000 0.201 480 Q C 3.057 179.183 176.000 0.209 0.000 0.946 480 Q CA 1.373 57.305 55.803 0.216 0.000 0.877 480 Q CB -0.029 28.789 28.738 0.134 0.000 0.963 480 Q HN 0.982 nan 8.270 nan 0.000 0.472 481 A N 0.932 123.868 122.820 0.194 0.000 1.933 481 A HA -0.170 4.160 4.320 0.016 0.000 0.218 481 A C 2.191 179.940 177.584 0.276 0.000 1.175 481 A CA 1.714 53.867 52.037 0.193 0.000 0.628 481 A CB -0.896 18.229 19.000 0.208 0.000 0.814 481 A HN 0.274 nan 8.150 nan 0.000 0.444 482 T N 0.102 114.878 114.554 0.371 0.000 2.822 482 T HA -0.161 4.199 4.350 0.016 0.000 0.270 482 T C 1.908 176.857 174.700 0.415 0.000 1.064 482 T CA 1.691 64.073 62.100 0.469 0.000 1.131 482 T CB -0.766 68.336 68.868 0.389 0.000 0.858 482 T HN 0.723 nan 8.240 nan 0.000 0.483 483 V N 1.068 121.169 119.914 0.313 0.000 2.594 483 V HA -0.138 3.992 4.120 0.016 0.000 0.253 483 V C 1.704 177.879 176.094 0.136 0.000 1.069 483 V CA 1.846 64.286 62.300 0.234 0.000 1.082 483 V CB -0.554 31.388 31.823 0.199 0.000 0.680 483 V HN 0.272 nan 8.190 nan 0.000 0.469 484 D N -0.433 119.971 120.400 0.007 0.000 2.312 484 D HA -0.058 4.591 4.640 0.016 0.000 0.211 484 D C 1.597 177.704 176.300 -0.322 0.000 0.964 484 D CA 1.317 55.205 54.000 -0.186 0.000 0.877 484 D CB -0.205 40.406 40.800 -0.316 0.000 0.924 484 D HN 0.711 nan 8.370 nan 0.000 0.515 485 Y N -1.462 118.860 120.300 0.036 0.000 2.466 485 Y HA 0.072 4.635 4.550 0.022 0.000 0.272 485 Y C 0.767 176.475 175.900 -0.319 0.000 1.169 485 Y CA 0.211 58.249 58.100 -0.103 0.000 1.285 485 Y CB 0.078 38.447 38.460 -0.151 0.000 1.078 485 Y HN -0.036 nan 8.280 nan 0.000 0.523 486 Y N -1.054 119.301 120.300 0.091 0.000 2.626 486 Y HA 0.269 4.826 4.550 0.011 0.000 0.248 486 Y C 0.515 176.413 175.900 -0.003 0.000 1.147 486 Y CA -0.679 57.440 58.100 0.032 0.000 1.219 486 Y CB 0.585 39.059 38.460 0.024 0.000 1.279 486 Y HN -0.069 nan 8.280 nan 0.000 0.541 487 S N 0.023 115.770 115.700 0.079 0.000 2.651 487 S HA 0.779 5.258 4.470 0.016 0.000 0.279 487 S C -1.169 173.426 174.600 -0.009 0.000 1.148 487 S CA -0.931 57.293 58.200 0.040 0.000 0.837 487 S CB 2.619 65.856 63.200 0.062 0.000 1.138 487 S HN 0.176 nan 8.310 nan 0.000 0.478 488 Q N 0.384 120.184 119.800 -0.001 0.000 2.379 488 Q HA 0.660 5.009 4.340 0.016 0.000 0.278 488 Q C -1.668 174.341 176.000 0.015 0.000 1.068 488 Q CA -1.052 54.753 55.803 0.003 0.000 0.816 488 Q CB 1.462 30.202 28.738 0.004 0.000 1.387 488 Q HN 0.672 nan 8.270 nan 0.000 0.413 489 L N 1.834 123.063 121.223 0.010 0.000 2.312 489 L HA 0.518 4.868 4.340 0.016 0.000 0.281 489 L C -0.191 176.681 176.870 0.003 0.000 1.070 489 L CA -0.564 54.282 54.840 0.010 0.000 0.805 489 L CB 1.208 43.268 42.059 0.002 0.000 1.174 489 L HN 0.634 nan 8.230 nan 0.000 0.434 490 K N 1.979 122.379 120.400 0.000 0.000 2.274 490 K HA 0.407 4.737 4.320 0.016 0.000 0.262 490 K C -0.966 175.592 176.600 -0.069 0.000 0.961 490 K CA -0.460 55.812 56.287 -0.025 0.000 0.833 490 K CB 1.515 34.007 32.500 -0.014 0.000 1.102 490 K HN 0.493 nan 8.250 nan 0.000 0.436 491 T N 3.297 117.794 114.554 -0.096 0.000 2.743 491 T HA 0.251 4.611 4.350 0.016 0.000 0.293 491 T C -0.683 173.872 174.700 -0.242 0.000 0.945 491 T CA -0.489 61.522 62.100 -0.148 0.000 1.030 491 T CB 0.951 69.757 68.868 -0.105 0.000 0.912 491 T HN 0.313 nan 8.240 nan 0.000 0.483 492 V N 5.717 125.372 119.914 -0.432 0.000 2.378 492 V HA 0.445 4.575 4.120 0.016 0.000 0.288 492 V C -0.095 175.686 176.094 -0.522 0.000 1.016 492 V CA -0.778 61.179 62.300 -0.570 0.000 0.840 492 V CB 1.207 32.412 31.823 -1.029 0.000 0.994 492 V HN 0.801 nan 8.190 nan 0.000 0.431 493 I N 5.456 125.824 120.570 -0.338 0.000 2.321 493 I HA 0.432 4.611 4.170 0.016 0.000 0.291 493 I C -0.208 175.723 176.117 -0.310 0.000 0.998 493 I CA -0.561 60.564 61.300 -0.292 0.000 1.227 493 I CB 1.841 39.730 38.000 -0.186 0.000 1.368 493 I HN 0.463 nan 8.210 nan 0.000 0.466 494 V N 6.279 125.923 119.914 -0.450 0.000 2.357 494 V HA 0.459 4.588 4.120 0.016 0.000 0.284 494 V C -0.294 175.633 176.094 -0.278 0.000 1.018 494 V CA -0.392 61.657 62.300 -0.419 0.000 0.841 494 V CB 1.597 33.066 31.823 -0.590 0.000 0.991 494 V HN 0.775 nan 8.190 nan 0.000 0.437 495 E N 6.265 126.382 120.200 -0.139 0.000 2.194 495 E HA 0.318 4.677 4.350 0.016 0.000 0.284 495 E C 0.416 177.007 176.600 -0.016 0.000 1.035 495 E CA -0.231 56.132 56.400 -0.062 0.000 0.836 495 E CB 1.407 31.081 29.700 -0.044 0.000 1.070 495 E HN 0.728 nan 8.360 nan 0.000 0.401 496 M N 2.954 122.571 119.600 0.028 0.000 2.509 496 M HA 0.249 4.738 4.480 0.016 0.000 0.250 496 M C 0.815 177.144 176.300 0.048 0.000 1.132 496 M CA 0.515 55.857 55.300 0.071 0.000 1.080 496 M CB 0.162 32.838 32.600 0.127 0.000 1.408 496 M HN 0.588 nan 8.290 nan 0.000 0.484 497 G N -0.607 108.211 108.800 0.029 0.000 3.392 497 G HA2 0.298 4.267 3.960 0.016 0.000 0.185 497 G HA3 0.298 4.267 3.960 0.016 0.000 0.185 497 G C -0.932 173.976 174.900 0.013 0.000 1.206 497 G CA -0.329 44.785 45.100 0.023 0.000 0.776 497 G HN 0.127 nan 8.290 nan 0.000 0.697 498 D N -0.081 120.325 120.400 0.009 0.000 2.340 498 D HA 0.474 5.124 4.640 0.016 0.000 0.251 498 D C 0.058 176.358 176.300 0.001 0.000 1.080 498 D CA -0.233 53.770 54.000 0.006 0.000 0.971 498 D CB 2.139 42.942 40.800 0.006 0.000 1.137 498 D HN 0.039 nan 8.370 nan 0.000 0.475 499 V N 1.552 121.467 119.914 0.002 0.000 2.583 499 V HA 0.031 4.161 4.120 0.016 0.000 0.287 499 V C 0.255 176.347 176.094 -0.005 0.000 1.051 499 V CA -0.336 61.963 62.300 -0.001 0.000 1.010 499 V CB 0.923 32.750 31.823 0.006 0.000 0.988 499 V HN 0.351 nan 8.190 nan 0.000 0.478 500 D N 3.194 123.586 120.400 -0.012 0.000 2.336 500 D HA 0.251 4.900 4.640 0.016 0.000 0.249 500 D C -0.056 176.224 176.300 -0.032 0.000 1.213 500 D CA 0.451 54.437 54.000 -0.024 0.000 0.870 500 D CB 1.477 42.260 40.800 -0.029 0.000 1.076 500 D HN 0.510 nan 8.370 nan 0.000 0.483 501 S N 2.138 117.811 115.700 -0.045 0.000 2.526 501 S HA 0.364 4.844 4.470 0.016 0.000 0.293 501 S C 0.946 175.443 174.600 -0.171 0.000 1.092 501 S CA -0.731 57.431 58.200 -0.064 0.000 0.980 501 S CB 0.979 64.184 63.200 0.009 0.000 1.048 501 S HN 0.365 nan 8.310 nan 0.000 0.483 502 L N 3.357 124.347 121.223 -0.387 0.000 2.558 502 L HA 0.322 4.671 4.340 0.016 0.000 0.225 502 L C -0.591 175.864 176.870 -0.691 0.000 1.128 502 L CA 0.348 54.816 54.840 -0.622 0.000 0.868 502 L CB -0.175 41.326 42.059 -0.930 0.000 1.006 502 L HN 0.482 nan 8.230 nan 0.000 0.454 503 F N 0.000 119.945 119.950 -0.008 0.000 2.286 503 F HA 0.000 4.536 4.527 0.015 0.000 0.279 503 F CA 0.000 57.996 58.000 -0.007 0.000 1.383 503 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 503 F HN 0.000 nan 8.300 nan 0.000 0.574