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 1bpw_1_A 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 0.000 177.578 177.584 -0.011 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 1 A CB 0.000 19.002 19.000 0.003 0.000 0.831 2 Q N 0.858 120.653 119.800 -0.008 0.000 2.119 2 Q HA -0.050 4.299 4.340 0.015 0.000 0.201 2 Q C 1.755 177.746 176.000 -0.015 0.000 0.972 2 Q CA 1.888 57.684 55.803 -0.011 0.000 0.847 2 Q CB -0.861 27.872 28.738 -0.008 0.000 0.903 2 Q HN 0.792 nan 8.270 nan 0.000 0.433 3 L N 1.203 122.418 121.223 -0.014 0.000 2.083 3 L HA -0.101 4.248 4.340 0.015 0.000 0.209 3 L C 2.246 179.102 176.870 -0.024 0.000 1.083 3 L CA 1.226 56.055 54.840 -0.018 0.000 0.752 3 L CB -0.498 41.552 42.059 -0.015 0.000 0.899 3 L HN 0.031 nan 8.230 nan 0.000 0.433 4 V N -0.323 119.574 119.914 -0.027 0.000 2.515 4 V HA -0.222 3.906 4.120 0.015 0.000 0.250 4 V C 1.997 178.069 176.094 -0.036 0.000 1.058 4 V CA 1.861 64.137 62.300 -0.039 0.000 1.064 4 V CB -0.770 31.027 31.823 -0.044 0.000 0.675 4 V HN 0.466 nan 8.190 nan 0.000 0.461 5 D N 0.273 120.656 120.400 -0.028 0.000 2.317 5 D HA -0.063 4.586 4.640 0.015 0.000 0.211 5 D C 2.300 178.586 176.300 -0.024 0.000 0.966 5 D CA 1.397 55.381 54.000 -0.025 0.000 0.876 5 D CB 0.097 40.885 40.800 -0.020 0.000 0.927 5 D HN 0.620 nan 8.370 nan 0.000 0.519 6 S N -0.004 115.683 115.700 -0.023 0.000 2.489 6 S HA -0.057 4.422 4.470 0.015 0.000 0.228 6 S C 1.967 176.553 174.600 -0.023 0.000 0.995 6 S CA 0.114 58.302 58.200 -0.021 0.000 0.934 6 S CB -0.059 63.130 63.200 -0.019 0.000 0.771 6 S HN -0.026 nan 8.310 nan 0.000 0.522 7 M N 2.058 121.641 119.600 -0.028 0.000 2.143 7 M HA -0.012 4.477 4.480 0.015 0.000 0.258 7 M C -0.797 175.486 176.300 -0.028 0.000 1.071 7 M CA 0.942 56.224 55.300 -0.031 0.000 1.088 7 M CB -2.821 29.755 32.600 -0.040 0.000 1.360 7 M HN 0.224 nan 8.290 nan 0.000 0.404 8 P HA -0.131 nan 4.420 nan 0.000 0.217 8 P C 1.405 178.693 177.300 -0.020 0.000 1.148 8 P CA 1.941 65.026 63.100 -0.024 0.000 0.834 8 P CB -0.142 31.545 31.700 -0.023 0.000 0.783 9 S N -2.781 112.908 115.700 -0.019 0.000 2.540 9 S HA 0.391 4.870 4.470 0.015 0.000 0.218 9 S C 0.969 175.559 174.600 -0.016 0.000 0.977 9 S CA -0.242 57.948 58.200 -0.016 0.000 0.918 9 S CB -0.546 62.645 63.200 -0.015 0.000 0.806 9 S HN 0.079 nan 8.310 nan 0.000 0.496 10 A N 2.025 124.833 122.820 -0.019 0.000 2.466 10 A HA 0.631 4.959 4.320 0.015 0.000 0.238 10 A C 0.536 178.110 177.584 -0.017 0.000 1.074 10 A CA 0.140 52.165 52.037 -0.019 0.000 0.774 10 A CB 0.127 19.114 19.000 -0.022 0.000 1.015 10 A HN 1.100 nan 8.150 nan 0.000 0.498 11 S N -0.229 115.462 115.700 -0.015 0.000 2.596 11 S HA 0.581 5.060 4.470 0.015 0.000 0.270 11 S C -0.385 174.209 174.600 -0.010 0.000 1.155 11 S CA -0.563 57.630 58.200 -0.012 0.000 0.827 11 S CB 0.614 63.807 63.200 -0.011 0.000 1.130 11 S HN 0.811 nan 8.310 nan 0.000 0.467 12 T N 1.793 116.343 114.554 -0.006 0.000 2.905 12 T HA 0.439 4.798 4.350 0.015 0.000 0.299 12 T C 1.583 176.281 174.700 -0.004 0.000 1.024 12 T CA 1.493 63.592 62.100 -0.003 0.000 1.151 12 T CB -0.237 68.637 68.868 0.010 0.000 0.987 12 T HN 1.994 nan 8.240 nan 0.000 0.535 13 G N 2.339 111.135 108.800 -0.007 0.000 2.184 13 G HA2 -0.344 3.625 3.960 0.015 0.000 0.264 13 G HA3 -0.344 3.625 3.960 0.015 0.000 0.264 13 G C 1.183 176.078 174.900 -0.009 0.000 0.975 13 G CA 1.010 46.106 45.100 -0.006 0.000 0.642 13 G HN 0.983 nan 8.290 nan 0.000 0.536 14 S N -1.070 114.623 115.700 -0.011 0.000 2.468 14 S HA 0.479 4.958 4.470 0.015 0.000 0.226 14 S C 1.325 175.916 174.600 -0.015 0.000 1.051 14 S CA 0.844 59.037 58.200 -0.012 0.000 0.943 14 S CB 0.201 63.394 63.200 -0.012 0.000 0.810 14 S HN 0.898 nan 8.310 nan 0.000 0.509 15 V N 1.625 121.528 119.914 -0.017 0.000 3.376 15 V HA 0.518 4.647 4.120 0.015 0.000 0.303 15 V C 0.222 176.302 176.094 -0.022 0.000 1.100 15 V CA -0.071 62.218 62.300 -0.019 0.000 1.126 15 V CB 1.253 33.063 31.823 -0.021 0.000 1.085 15 V HN 0.439 nan 8.190 nan 0.000 0.480 16 V N 2.638 122.538 119.914 -0.023 0.000 2.823 16 V HA 0.379 4.508 4.120 0.015 0.000 0.296 16 V C -0.679 175.400 176.094 -0.025 0.000 1.250 16 V CA -0.408 61.875 62.300 -0.028 0.000 0.939 16 V CB 2.225 34.032 31.823 -0.027 0.000 1.062 16 V HN 0.617 nan 8.190 nan 0.000 0.433 17 V N 5.753 125.650 119.914 -0.028 0.000 2.732 17 V HA 0.542 4.671 4.120 0.015 0.000 0.297 17 V C 1.242 177.324 176.094 -0.021 0.000 1.060 17 V CA 0.834 63.121 62.300 -0.021 0.000 1.038 17 V CB 1.439 33.252 31.823 -0.018 0.000 1.003 17 V HN 1.121 nan 8.190 nan 0.000 0.481 18 T N -2.163 112.382 114.554 -0.016 0.000 3.252 18 T HA 0.160 4.519 4.350 0.015 0.000 0.295 18 T C 0.143 174.835 174.700 -0.013 0.000 0.897 18 T CA -0.400 61.691 62.100 -0.016 0.000 0.905 18 T CB 0.026 68.884 68.868 -0.016 0.000 1.202 18 T HN 0.535 nan 8.240 nan 0.000 0.592 19 D N 2.219 122.613 120.400 -0.009 0.000 2.414 19 D HA 0.256 4.905 4.640 0.015 0.000 0.251 19 D C -0.538 175.757 176.300 -0.008 0.000 1.252 19 D CA -0.088 53.908 54.000 -0.007 0.000 0.999 19 D CB 0.628 41.427 40.800 -0.000 0.000 1.093 19 D HN 0.256 nan 8.370 nan 0.000 0.515 20 D N 0.453 120.845 120.400 -0.012 0.000 2.210 20 D HA 0.183 4.832 4.640 0.015 0.000 0.249 20 D C 0.829 177.128 176.300 -0.002 0.000 1.062 20 D CA -0.302 53.685 54.000 -0.021 0.000 0.891 20 D CB 1.898 42.666 40.800 -0.054 0.000 1.186 20 D HN 0.173 nan 8.370 nan 0.000 0.432 21 L N 1.322 122.551 121.223 0.010 0.000 2.607 21 L HA 0.109 4.457 4.340 0.015 0.000 0.228 21 L C 0.534 177.439 176.870 0.058 0.000 1.123 21 L CA 0.065 54.929 54.840 0.041 0.000 0.890 21 L CB -0.050 42.043 42.059 0.056 0.000 1.103 21 L HN 0.115 nan 8.230 nan 0.000 0.468 22 N N 0.318 119.022 118.700 0.006 0.000 2.473 22 N HA 0.269 5.017 4.740 0.015 0.000 0.291 22 N C -1.446 174.000 175.510 -0.106 0.000 1.083 22 N CA -0.163 52.884 53.050 -0.005 0.000 0.951 22 N CB 1.927 40.363 38.487 -0.086 0.000 1.164 22 N HN -0.068 nan 8.380 nan 0.000 0.480 23 Y N 2.015 122.233 120.300 -0.137 0.000 2.330 23 Y HA 0.467 5.025 4.550 0.015 0.000 0.324 23 Y C -1.732 174.209 175.900 0.068 0.000 1.093 23 Y CA -0.810 57.189 58.100 -0.170 0.000 1.103 23 Y CB 0.775 39.189 38.460 -0.076 0.000 1.183 23 Y HN 0.682 nan 8.280 nan 0.000 0.433 24 W N 3.396 124.490 121.300 -0.344 0.000 3.059 24 W HA 0.611 5.280 4.660 0.014 0.000 0.329 24 W C 0.281 176.603 176.519 -0.328 0.000 1.246 24 W CA -1.435 55.760 57.345 -0.249 0.000 1.190 24 W CB 0.699 30.099 29.460 -0.100 0.000 1.423 24 W HN 1.056 nan 8.180 nan 0.000 0.571 25 G N 0.343 109.205 108.800 0.105 0.000 2.153 25 G HA2 0.226 4.195 3.960 0.015 0.000 0.252 25 G HA3 0.226 4.195 3.960 0.015 0.000 0.252 25 G C 1.181 175.963 174.900 -0.196 0.000 0.994 25 G CA 1.415 46.522 45.100 0.012 0.000 0.698 25 G HN 2.764 nan 8.290 nan 0.000 0.521 26 G N -1.202 107.337 108.800 -0.435 0.000 2.147 26 G HA2 0.027 3.996 3.960 0.015 0.000 0.244 26 G HA3 0.027 3.996 3.960 0.015 0.000 0.244 26 G C 0.198 174.607 174.900 -0.819 0.000 1.005 26 G CA 1.371 46.009 45.100 -0.771 0.000 0.713 26 G HN 2.149 nan 8.290 nan 0.000 0.515 27 R N -2.050 117.808 120.500 -1.070 0.000 2.716 27 R HA 0.666 5.015 4.340 0.015 0.000 0.271 27 R C -0.618 175.261 176.300 -0.701 0.000 1.028 27 R CA -1.285 54.403 56.100 -0.688 0.000 0.883 27 R CB 0.962 31.047 30.300 -0.359 0.000 1.250 27 R HN 0.112 nan 8.270 nan 0.000 0.465 28 R N 1.295 121.643 120.500 -0.254 0.000 2.298 28 R HA 0.292 4.641 4.340 0.015 0.000 0.310 28 R C -0.008 176.107 176.300 -0.308 0.000 1.068 28 R CA -0.533 55.468 56.100 -0.165 0.000 0.957 28 R CB 0.520 30.818 30.300 -0.003 0.000 1.003 28 R HN 0.340 nan 8.270 nan 0.000 0.454 29 I N 3.686 123.977 120.570 -0.466 0.000 2.441 29 I HA 0.022 4.201 4.170 0.015 0.000 0.287 29 I C 1.352 177.314 176.117 -0.257 0.000 1.049 29 I CA 0.003 61.013 61.300 -0.483 0.000 1.381 29 I CB 1.200 38.669 38.000 -0.885 0.000 1.409 29 I HN 0.602 nan 8.210 nan 0.000 0.523 30 K N 2.998 123.296 120.400 -0.170 0.000 2.362 30 K HA -0.071 4.258 4.320 0.015 0.000 0.200 30 K C 0.575 177.139 176.600 -0.061 0.000 1.046 30 K CA 0.741 56.971 56.287 -0.094 0.000 0.952 30 K CB -0.095 32.366 32.500 -0.066 0.000 0.753 30 K HN 0.883 nan 8.250 nan 0.000 0.466 31 S N 1.311 116.976 115.700 -0.057 0.000 3.272 31 S HA -0.187 4.292 4.470 0.015 0.000 0.355 31 S C -0.152 174.453 174.600 0.007 0.000 0.875 31 S CA 0.406 58.606 58.200 0.000 0.000 1.357 31 S CB -1.053 62.155 63.200 0.012 0.000 1.069 31 S HN 0.232 nan 8.310 nan 0.000 0.561 32 K N 1.628 122.035 120.400 0.012 0.000 2.362 32 K HA 0.611 4.939 4.320 0.015 0.000 0.245 32 K C 0.369 176.981 176.600 0.020 0.000 1.040 32 K CA 0.367 56.660 56.287 0.011 0.000 0.961 32 K CB 0.196 32.700 32.500 0.008 0.000 1.252 32 K HN 0.815 nan 8.250 nan 0.000 0.503 33 D N -1.662 118.747 120.400 0.016 0.000 10.847 33 D HA -0.148 4.501 4.640 0.015 0.000 0.350 33 D C 0.767 177.079 176.300 0.020 0.000 3.129 33 D CA 1.098 55.109 54.000 0.019 0.000 2.659 33 D CB -0.303 40.511 40.800 0.024 0.000 1.194 33 D HN 0.559 nan 8.370 nan 0.000 0.939 34 G N 2.536 111.347 108.800 0.018 0.000 2.802 34 G HA2 0.049 4.017 3.960 0.015 0.000 0.222 34 G HA3 0.049 4.017 3.960 0.015 0.000 0.222 34 G C 1.000 175.914 174.900 0.023 0.000 1.248 34 G CA 3.048 48.159 45.100 0.019 0.000 0.787 34 G HN 1.995 nan 8.290 nan 0.000 0.643 35 A N -1.189 121.647 122.820 0.028 0.000 1.679 35 A HA 0.018 4.347 4.320 0.015 0.000 0.221 35 A C 0.698 178.302 177.584 0.034 0.000 1.286 35 A CA 0.945 53.003 52.037 0.035 0.000 0.693 35 A CB -2.079 16.947 19.000 0.042 0.000 1.179 35 A HN 1.449 nan 8.150 nan 0.000 0.226 36 T N 2.494 117.068 114.554 0.034 0.000 2.772 36 T HA 0.289 4.648 4.350 0.015 0.000 0.268 36 T C 0.987 175.709 174.700 0.037 0.000 1.025 36 T CA 1.299 63.419 62.100 0.034 0.000 1.139 36 T CB -0.143 68.747 68.868 0.037 0.000 1.053 36 T HN 1.983 nan 8.240 nan 0.000 0.483 37 T N 0.458 115.031 114.554 0.033 0.000 2.907 37 T HA 0.695 5.053 4.350 0.015 0.000 0.290 37 T C -1.227 173.493 174.700 0.034 0.000 1.066 37 T CA -1.171 60.948 62.100 0.032 0.000 1.012 37 T CB 2.186 71.066 68.868 0.019 0.000 1.184 37 T HN 0.389 nan 8.240 nan 0.000 0.522 38 E N 1.802 122.022 120.200 0.033 0.000 2.248 38 E HA 0.462 4.821 4.350 0.015 0.000 0.267 38 E C -2.765 173.834 176.600 -0.001 0.000 0.877 38 E CA -2.361 54.063 56.400 0.041 0.000 0.759 38 E CB 2.390 32.131 29.700 0.068 0.000 1.182 38 E HN 0.509 nan 8.360 nan 0.000 0.418 39 P HA 0.108 nan 4.420 nan 0.000 0.286 39 P C -0.105 177.017 177.300 -0.297 0.000 1.269 39 P CA -0.454 62.503 63.100 -0.239 0.000 0.787 39 P CB 1.051 32.547 31.700 -0.340 0.000 0.920 40 V N 1.854 121.579 119.914 -0.314 0.000 2.472 40 V HA 0.600 4.729 4.120 0.015 0.000 0.290 40 V C -0.560 175.327 176.094 -0.345 0.000 1.037 40 V CA -0.667 61.547 62.300 -0.143 0.000 0.908 40 V CB 0.457 32.260 31.823 -0.033 0.000 0.985 40 V HN 0.207 nan 8.190 nan 0.000 0.454 41 F N 1.529 121.489 119.950 0.017 0.000 2.497 41 F HA 0.585 5.120 4.527 0.015 0.000 0.331 41 F C 0.571 176.341 175.800 -0.051 0.000 1.060 41 F CA -0.910 57.090 58.000 0.000 0.000 0.989 41 F CB 1.453 40.489 39.000 0.060 0.000 1.245 41 F HN 0.669 nan 8.300 nan 0.000 0.486 42 E N 2.702 122.955 120.200 0.090 0.000 2.035 42 E HA 0.266 4.625 4.350 0.015 0.000 0.271 42 E C -2.106 174.401 176.600 -0.156 0.000 0.953 42 E CA -1.943 54.441 56.400 -0.027 0.000 0.777 42 E CB 1.145 30.822 29.700 -0.038 0.000 1.104 42 E HN 0.237 nan 8.360 nan 0.000 0.408 43 P HA -0.212 nan 4.420 nan 0.000 0.217 43 P C 0.732 177.678 177.300 -0.590 0.000 1.151 43 P CA 1.495 64.329 63.100 -0.443 0.000 0.849 43 P CB 0.258 31.817 31.700 -0.234 0.000 0.787 44 A N -1.219 121.396 122.820 -0.342 0.000 2.119 44 A HA -0.069 4.260 4.320 0.015 0.000 0.217 44 A C 1.954 179.517 177.584 -0.035 0.000 1.153 44 A CA 2.026 53.936 52.037 -0.212 0.000 0.692 44 A CB -1.233 17.758 19.000 -0.015 0.000 0.799 44 A HN 0.359 nan 8.150 nan 0.000 0.458 45 T N -7.082 107.390 114.554 -0.137 0.000 2.969 45 T HA 0.422 4.781 4.350 0.015 0.000 0.258 45 T C 1.395 176.035 174.700 -0.100 0.000 0.962 45 T CA 1.079 63.147 62.100 -0.052 0.000 0.903 45 T CB 0.262 69.120 68.868 -0.016 0.000 1.177 45 T HN 1.645 nan 8.240 nan 0.000 0.511 46 G N 2.127 110.771 108.800 -0.261 0.000 2.179 46 G HA2 -0.264 3.705 3.960 0.015 0.000 0.260 46 G HA3 -0.264 3.705 3.960 0.015 0.000 0.260 46 G C 0.172 175.176 174.900 0.173 0.000 0.977 46 G CA 0.066 45.082 45.100 -0.140 0.000 0.641 46 G HN 0.735 nan 8.290 nan 0.000 0.533 47 R N -0.432 120.121 120.500 0.088 0.000 2.641 47 R HA 0.448 4.797 4.340 0.015 0.000 0.269 47 R C 0.320 176.644 176.300 0.040 0.000 1.074 47 R CA -0.392 55.756 56.100 0.081 0.000 1.133 47 R CB 1.130 31.438 30.300 0.015 0.000 1.029 47 R HN 0.057 nan 8.270 nan 0.000 0.488 48 V N 4.926 124.796 119.914 -0.074 0.000 2.389 48 V HA 0.012 4.141 4.120 0.015 0.000 0.264 48 V C 1.439 177.420 176.094 -0.188 0.000 1.049 48 V CA 0.173 62.294 62.300 -0.298 0.000 0.932 48 V CB 0.808 32.465 31.823 -0.278 0.000 1.011 48 V HN 0.717 nan 8.190 nan 0.000 0.475 49 L N 4.606 125.715 121.223 -0.190 0.000 2.217 49 L HA 0.063 4.412 4.340 0.015 0.000 0.211 49 L C 0.923 177.734 176.870 -0.098 0.000 1.107 49 L CA 0.944 55.720 54.840 -0.107 0.000 0.783 49 L CB 0.013 42.027 42.059 -0.074 0.000 0.919 49 L HN 0.946 nan 8.230 nan 0.000 0.442 50 C N -4.704 114.515 119.300 -0.134 0.000 2.986 50 C HA 0.311 4.780 4.460 0.015 0.000 0.326 50 C C -1.340 173.583 174.990 -0.111 0.000 1.335 50 C CA -1.309 57.651 59.018 -0.096 0.000 1.223 50 C CB 1.113 28.820 27.740 -0.055 0.000 1.354 50 C HN 0.027 nan 8.230 nan 0.000 0.447 51 Q N 0.734 120.494 119.800 -0.068 0.000 2.248 51 Q HA 0.773 5.122 4.340 0.015 0.000 0.263 51 Q C -0.588 175.401 176.000 -0.018 0.000 1.007 51 Q CA -0.252 55.520 55.803 -0.051 0.000 0.877 51 Q CB 1.781 30.500 28.738 -0.032 0.000 1.315 51 Q HN 0.971 nan 8.270 nan 0.000 0.454 52 M N -1.148 118.454 119.600 0.003 0.000 2.204 52 M HA 0.488 4.977 4.480 0.015 0.000 0.293 52 M C -1.332 174.994 176.300 0.044 0.000 0.994 52 M CA -0.887 54.432 55.300 0.031 0.000 0.925 52 M CB 1.670 34.299 32.600 0.049 0.000 1.577 52 M HN 0.145 nan 8.290 nan 0.000 0.439 53 V N 6.475 126.419 119.914 0.049 0.000 2.364 53 V HA 0.670 4.799 4.120 0.015 0.000 0.272 53 V C -2.135 174.009 176.094 0.083 0.000 1.036 53 V CA -1.747 60.588 62.300 0.058 0.000 0.880 53 V CB 1.137 32.990 31.823 0.050 0.000 0.991 53 V HN 0.928 nan 8.190 nan 0.000 0.460 54 P HA 0.174 nan 4.420 nan 0.000 0.272 54 P C -0.488 176.879 177.300 0.111 0.000 1.223 54 P CA -0.223 62.937 63.100 0.100 0.000 0.784 54 P CB 0.854 32.607 31.700 0.087 0.000 0.923 55 C N 1.941 121.315 119.300 0.123 0.000 2.401 55 C HA 0.681 5.150 4.460 0.015 0.000 0.365 55 C C 1.337 176.375 174.990 0.080 0.000 1.250 55 C CA 0.076 59.168 59.018 0.122 0.000 2.131 55 C CB 0.714 28.530 27.740 0.127 0.000 2.445 55 C HN 0.741 nan 8.230 nan 0.000 0.550 56 G N 0.743 109.583 108.800 0.067 0.000 2.753 56 G HA2 0.530 4.499 3.960 0.015 0.000 0.285 56 G HA3 0.530 4.499 3.960 0.015 0.000 0.285 56 G C 0.861 175.778 174.900 0.028 0.000 1.344 56 G CA 0.222 45.351 45.100 0.049 0.000 1.050 56 G HN 0.940 nan 8.290 nan 0.000 0.532 57 A N -0.447 122.389 122.820 0.028 0.000 1.892 57 A HA -0.109 4.220 4.320 0.015 0.000 0.218 57 A C 2.142 179.726 177.584 -0.000 0.000 1.188 57 A CA 2.550 54.599 52.037 0.021 0.000 0.631 57 A CB -0.706 18.305 19.000 0.018 0.000 0.822 57 A HN 0.642 nan 8.150 nan 0.000 0.447 58 E N 0.305 120.506 120.200 0.002 0.000 2.048 58 E HA -0.214 4.145 4.350 0.015 0.000 0.202 58 E C 1.842 178.406 176.600 -0.060 0.000 1.021 58 E CA 1.851 58.248 56.400 -0.006 0.000 0.825 58 E CB -0.515 29.200 29.700 0.024 0.000 0.756 58 E HN 0.716 nan 8.360 nan 0.000 0.454 59 E N 0.477 120.644 120.200 -0.055 0.000 2.023 59 E HA -0.152 4.207 4.350 0.015 0.000 0.196 59 E C 2.241 178.524 176.600 -0.529 0.000 1.003 59 E CA 1.237 57.513 56.400 -0.206 0.000 0.809 59 E CB -0.737 28.988 29.700 0.042 0.000 0.755 59 E HN 0.068 nan 8.360 nan 0.000 0.449 60 V N 1.916 121.654 119.914 -0.292 0.000 2.233 60 V HA -0.373 3.756 4.120 0.015 0.000 0.252 60 V C 2.186 178.085 176.094 -0.326 0.000 1.063 60 V CA 2.330 64.466 62.300 -0.274 0.000 1.032 60 V CB -0.672 31.103 31.823 -0.080 0.000 0.645 60 V HN 0.360 nan 8.190 nan 0.000 0.446 61 D N -0.792 119.509 120.400 -0.166 0.000 2.133 61 D HA -0.232 4.417 4.640 0.015 0.000 0.195 61 D C 2.300 178.467 176.300 -0.221 0.000 0.997 61 D CA 1.890 55.846 54.000 -0.073 0.000 0.840 61 D CB -0.055 40.775 40.800 0.049 0.000 0.947 61 D HN 0.629 nan 8.370 nan 0.000 0.452 62 Q N -0.027 119.557 119.800 -0.360 0.000 2.084 62 Q HA -0.108 4.240 4.340 0.015 0.000 0.202 62 Q C 2.311 177.948 176.000 -0.606 0.000 0.978 62 Q CA 1.297 56.844 55.803 -0.426 0.000 0.844 62 Q CB -0.127 28.340 28.738 -0.451 0.000 0.898 62 Q HN 0.271 nan 8.270 nan 0.000 0.426 63 A N 0.586 122.855 122.820 -0.919 0.000 1.851 63 A HA -0.195 4.134 4.320 0.015 0.000 0.216 63 A C 2.368 179.759 177.584 -0.321 0.000 1.195 63 A CA 1.760 53.408 52.037 -0.647 0.000 0.622 63 A CB -1.035 17.633 19.000 -0.553 0.000 0.831 63 A HN 0.215 nan 8.150 nan 0.000 0.444 64 V N -0.015 119.689 119.914 -0.349 0.000 2.252 64 V HA -0.385 3.744 4.120 0.015 0.000 0.249 64 V C 2.693 178.673 176.094 -0.189 0.000 1.056 64 V CA 2.477 64.586 62.300 -0.319 0.000 1.022 64 V CB -1.093 30.357 31.823 -0.622 0.000 0.641 64 V HN 0.663 nan 8.190 nan 0.000 0.445 65 Q N -0.570 119.137 119.800 -0.155 0.000 2.152 65 Q HA -0.241 4.108 4.340 0.015 0.000 0.206 65 Q C 2.539 178.523 176.000 -0.027 0.000 0.985 65 Q CA 1.980 57.748 55.803 -0.059 0.000 0.863 65 Q CB -0.334 28.379 28.738 -0.041 0.000 0.904 65 Q HN 0.643 nan 8.270 nan 0.000 0.422 66 S N -0.027 115.646 115.700 -0.046 0.000 2.348 66 S HA -0.177 4.302 4.470 0.015 0.000 0.221 66 S C 1.984 176.606 174.600 0.037 0.000 1.033 66 S CA 1.137 59.350 58.200 0.022 0.000 1.010 66 S CB -0.234 63.002 63.200 0.059 0.000 0.891 66 S HN 0.473 nan 8.310 nan 0.000 0.442 67 A N 1.159 123.982 122.820 0.004 0.000 1.865 67 A HA -0.184 4.145 4.320 0.015 0.000 0.217 67 A C 2.117 179.739 177.584 0.064 0.000 1.191 67 A CA 2.307 54.355 52.037 0.019 0.000 0.623 67 A CB -1.373 17.609 19.000 -0.031 0.000 0.826 67 A HN 0.624 nan 8.150 nan 0.000 0.444 68 Q N 0.074 119.896 119.800 0.035 0.000 2.082 68 Q HA -0.228 4.121 4.340 0.015 0.000 0.211 68 Q C 2.022 178.116 176.000 0.156 0.000 1.002 68 Q CA 3.015 58.872 55.803 0.091 0.000 0.868 68 Q CB -0.812 27.953 28.738 0.044 0.000 0.931 68 Q HN 0.601 nan 8.270 nan 0.000 0.414 69 A N 0.325 123.207 122.820 0.103 0.000 1.851 69 A HA -0.091 4.238 4.320 0.015 0.000 0.216 69 A C 2.376 180.030 177.584 0.116 0.000 1.195 69 A CA 2.687 54.783 52.037 0.098 0.000 0.622 69 A CB -1.561 17.483 19.000 0.074 0.000 0.831 69 A HN 0.657 nan 8.150 nan 0.000 0.444 70 A N -1.457 121.434 122.820 0.118 0.000 1.917 70 A HA -0.181 4.147 4.320 0.015 0.000 0.219 70 A C 2.134 179.830 177.584 0.186 0.000 1.182 70 A CA 2.005 54.115 52.037 0.122 0.000 0.633 70 A CB -0.973 18.074 19.000 0.077 0.000 0.819 70 A HN 0.899 nan 8.150 nan 0.000 0.448 71 Y N 0.380 120.730 120.300 0.084 0.000 2.081 71 Y HA -0.253 4.304 4.550 0.013 0.000 0.280 71 Y C 1.847 177.832 175.900 0.141 0.000 1.163 71 Y CA 1.933 60.113 58.100 0.134 0.000 1.135 71 Y CB -0.714 37.799 38.460 0.087 0.000 0.970 71 Y HN 0.185 nan 8.280 nan 0.000 0.498 72 L N 0.787 121.966 121.223 -0.074 0.000 2.064 72 L HA -0.271 4.078 4.340 0.015 0.000 0.216 72 L C 2.478 179.268 176.870 -0.134 0.000 1.077 72 L CA 2.501 57.232 54.840 -0.181 0.000 0.766 72 L CB -1.263 40.786 42.059 -0.017 0.000 0.890 72 L HN 0.327 nan 8.230 nan 0.000 0.435 73 K N -1.276 119.117 120.400 -0.011 0.000 2.044 73 K HA -0.187 4.142 4.320 0.015 0.000 0.204 73 K C 2.138 178.778 176.600 0.067 0.000 1.045 73 K CA 1.169 57.475 56.287 0.031 0.000 0.951 73 K CB -0.876 31.674 32.500 0.083 0.000 0.738 73 K HN 0.393 nan 8.250 nan 0.000 0.443 74 W N 1.970 123.226 121.300 -0.073 0.000 2.342 74 W HA -0.192 4.477 4.660 0.015 0.000 0.297 74 W C 1.520 177.990 176.519 -0.081 0.000 1.213 74 W CA 2.130 59.445 57.345 -0.050 0.000 1.251 74 W CB -0.273 29.184 29.460 -0.006 0.000 1.136 74 W HN 0.337 nan 8.180 nan 0.000 0.526 75 S N 0.246 115.881 115.700 -0.108 0.000 2.481 75 S HA -0.115 4.363 4.470 0.015 0.000 0.231 75 S C 1.393 175.852 174.600 -0.234 0.000 0.996 75 S CA 0.969 59.020 58.200 -0.248 0.000 0.942 75 S CB -0.229 62.640 63.200 -0.553 0.000 0.768 75 S HN 0.007 nan 8.310 nan 0.000 0.520 76 K N 0.643 120.925 120.400 -0.196 0.000 2.400 76 K HA 0.389 4.718 4.320 0.015 0.000 0.194 76 K C 0.559 177.067 176.600 -0.155 0.000 1.033 76 K CA 0.161 56.361 56.287 -0.147 0.000 1.021 76 K CB -0.244 32.195 32.500 -0.102 0.000 0.808 76 K HN 0.492 nan 8.250 nan 0.000 0.505 77 M N 0.293 119.757 119.600 -0.227 0.000 2.250 77 M HA 0.237 4.726 4.480 0.015 0.000 0.344 77 M C 0.147 176.286 176.300 -0.269 0.000 1.150 77 M CA -0.543 54.608 55.300 -0.249 0.000 1.147 77 M CB 1.302 33.697 32.600 -0.341 0.000 1.498 77 M HN 0.005 nan 8.290 nan 0.000 0.461 78 A N 1.765 124.468 122.820 -0.196 0.000 2.287 78 A HA 0.542 4.871 4.320 0.015 0.000 0.273 78 A C 1.238 178.708 177.584 -0.189 0.000 1.091 78 A CA -0.045 51.896 52.037 -0.159 0.000 0.817 78 A CB -0.008 18.930 19.000 -0.103 0.000 1.069 78 A HN 1.036 nan 8.150 nan 0.000 0.492 79 G N 0.324 109.039 108.800 -0.141 0.000 2.491 79 G HA2 -0.261 3.708 3.960 0.015 0.000 0.218 79 G HA3 -0.261 3.708 3.960 0.015 0.000 0.218 79 G C 1.342 176.183 174.900 -0.099 0.000 1.180 79 G CA 1.477 46.504 45.100 -0.121 0.000 0.774 79 G HN 0.816 nan 8.290 nan 0.000 0.562 80 I N 0.871 121.398 120.570 -0.073 0.000 2.248 80 I HA -0.176 4.003 4.170 0.015 0.000 0.248 80 I C 2.586 178.672 176.117 -0.051 0.000 1.107 80 I CA 1.857 63.128 61.300 -0.047 0.000 1.373 80 I CB -0.170 37.806 38.000 -0.039 0.000 1.055 80 I HN 0.371 nan 8.210 nan 0.000 0.418 81 E N -0.133 120.013 120.200 -0.090 0.000 2.051 81 E HA -0.132 4.227 4.350 0.015 0.000 0.189 81 E C 2.264 178.787 176.600 -0.129 0.000 0.979 81 E CA 0.779 57.122 56.400 -0.094 0.000 0.803 81 E CB -0.175 29.454 29.700 -0.119 0.000 0.761 81 E HN 0.502 nan 8.360 nan 0.000 0.451 82 R N 0.676 121.005 120.500 -0.285 0.000 2.152 82 R HA -0.056 4.293 4.340 0.015 0.000 0.232 82 R C 2.494 178.813 176.300 0.032 0.000 1.117 82 R CA 0.901 56.765 56.100 -0.394 0.000 0.981 82 R CB -0.315 29.542 30.300 -0.739 0.000 0.870 82 R HN 0.015 nan 8.270 nan 0.000 0.451 83 S N 0.831 116.538 115.700 0.012 0.000 2.359 83 S HA -0.140 4.339 4.470 0.015 0.000 0.224 83 S C 2.010 176.677 174.600 0.112 0.000 1.035 83 S CA 1.000 59.244 58.200 0.074 0.000 1.018 83 S CB -0.010 63.208 63.200 0.031 0.000 0.876 83 S HN 0.214 nan 8.310 nan 0.000 0.448 84 R N 0.563 121.115 120.500 0.086 0.000 2.094 84 R HA -0.091 4.258 4.340 0.015 0.000 0.239 84 R C 2.329 178.715 176.300 0.145 0.000 1.137 84 R CA 1.693 57.851 56.100 0.097 0.000 0.943 84 R CB -1.490 28.854 30.300 0.073 0.000 0.850 84 R HN 0.442 nan 8.270 nan 0.000 0.433 85 V N 1.477 121.511 119.914 0.200 0.000 2.287 85 V HA -0.294 3.835 4.120 0.015 0.000 0.248 85 V C 2.556 178.811 176.094 0.268 0.000 1.053 85 V CA 2.019 64.468 62.300 0.248 0.000 1.027 85 V CB -0.494 31.546 31.823 0.362 0.000 0.646 85 V HN 0.302 nan 8.190 nan 0.000 0.447 86 M N -0.775 119.013 119.600 0.314 0.000 2.080 86 M HA -0.183 4.306 4.480 0.015 0.000 0.260 86 M C 2.242 178.701 176.300 0.265 0.000 1.068 86 M CA 1.927 57.433 55.300 0.342 0.000 1.109 86 M CB -0.571 32.232 32.600 0.337 0.000 1.342 86 M HN 0.264 nan 8.290 nan 0.000 0.405 87 L N -0.168 121.174 121.223 0.199 0.000 2.081 87 L HA -0.238 4.110 4.340 0.015 0.000 0.212 87 L C 2.592 179.534 176.870 0.121 0.000 1.080 87 L CA 1.080 56.011 54.840 0.152 0.000 0.754 87 L CB -0.693 41.434 42.059 0.113 0.000 0.893 87 L HN 0.319 nan 8.230 nan 0.000 0.433 88 E N -0.020 120.253 120.200 0.122 0.000 2.072 88 E HA -0.127 4.232 4.350 0.015 0.000 0.190 88 E C 2.342 178.988 176.600 0.076 0.000 0.982 88 E CA 1.219 57.670 56.400 0.085 0.000 0.803 88 E CB -0.241 29.513 29.700 0.091 0.000 0.755 88 E HN 0.434 nan 8.360 nan 0.000 0.453 89 A N 1.630 124.522 122.820 0.121 0.000 1.948 89 A HA -0.168 4.161 4.320 0.015 0.000 0.220 89 A C 2.369 179.960 177.584 0.013 0.000 1.177 89 A CA 2.199 54.264 52.037 0.047 0.000 0.636 89 A CB -0.520 18.541 19.000 0.102 0.000 0.815 89 A HN 0.269 nan 8.150 nan 0.000 0.449 90 A N -0.444 122.433 122.820 0.095 0.000 1.832 90 A HA -0.120 4.209 4.320 0.015 0.000 0.214 90 A C 2.226 179.783 177.584 -0.045 0.000 1.204 90 A CA 1.521 53.629 52.037 0.119 0.000 0.606 90 A CB -0.659 18.477 19.000 0.228 0.000 0.849 90 A HN 0.458 nan 8.150 nan 0.000 0.445 91 R N 0.037 120.495 120.500 -0.070 0.000 2.198 91 R HA -0.211 4.137 4.340 0.015 0.000 0.258 91 R C 1.812 178.030 176.300 -0.137 0.000 1.173 91 R CA 2.109 58.122 56.100 -0.145 0.000 0.991 91 R CB -0.574 29.684 30.300 -0.070 0.000 0.879 91 R HN 0.625 nan 8.270 nan 0.000 0.460 92 I N 0.153 120.679 120.570 -0.074 0.000 2.235 92 I HA -0.251 3.928 4.170 0.015 0.000 0.241 92 I C 2.395 178.473 176.117 -0.065 0.000 1.085 92 I CA 0.968 62.233 61.300 -0.058 0.000 1.378 92 I CB -0.218 37.767 38.000 -0.026 0.000 1.076 92 I HN 0.112 nan 8.210 nan 0.000 0.415 93 I N 0.336 120.889 120.570 -0.028 0.000 2.248 93 I HA -0.344 3.835 4.170 0.015 0.000 0.248 93 I C 2.761 178.837 176.117 -0.069 0.000 1.107 93 I CA 1.293 62.616 61.300 0.038 0.000 1.373 93 I CB -0.516 37.615 38.000 0.217 0.000 1.055 93 I HN 0.227 nan 8.210 nan 0.000 0.418 94 R N 1.111 121.440 120.500 -0.285 0.000 2.083 94 R HA -0.200 4.149 4.340 0.015 0.000 0.237 94 R C 1.942 178.086 176.300 -0.259 0.000 1.137 94 R CA 1.802 57.581 56.100 -0.536 0.000 0.951 94 R CB -0.171 29.660 30.300 -0.781 0.000 0.851 94 R HN 0.461 nan 8.270 nan 0.000 0.434 95 E N -0.496 119.593 120.200 -0.186 0.000 2.478 95 E HA -0.116 4.243 4.350 0.015 0.000 0.198 95 E C 0.869 177.420 176.600 -0.083 0.000 1.046 95 E CA 0.546 56.876 56.400 -0.118 0.000 0.870 95 E CB 0.209 29.854 29.700 -0.093 0.000 0.818 95 E HN 0.265 nan 8.360 nan 0.000 0.527 96 R N -0.057 120.396 120.500 -0.078 0.000 2.600 96 R HA 0.192 4.541 4.340 0.015 0.000 0.392 96 R C 1.514 177.770 176.300 -0.072 0.000 1.032 96 R CA -0.393 55.667 56.100 -0.067 0.000 1.139 96 R CB 0.418 30.681 30.300 -0.062 0.000 1.400 96 R HN -0.097 nan 8.270 nan 0.000 0.566 97 R N 2.235 122.703 120.500 -0.053 0.000 2.179 97 R HA -0.224 4.125 4.340 0.015 0.000 0.238 97 R C 0.641 176.910 176.300 -0.051 0.000 1.119 97 R CA 2.318 58.409 56.100 -0.016 0.000 0.915 97 R CB -0.360 29.957 30.300 0.029 0.000 0.870 97 R HN 0.223 nan 8.270 nan 0.000 0.432 98 D N 0.413 120.784 120.400 -0.049 0.000 2.120 98 D HA -0.171 4.478 4.640 0.015 0.000 0.191 98 D C 1.761 178.018 176.300 -0.071 0.000 0.994 98 D CA 1.327 55.294 54.000 -0.055 0.000 0.838 98 D CB -0.792 39.981 40.800 -0.045 0.000 0.976 98 D HN 0.310 nan 8.370 nan 0.000 0.447 99 N N 0.966 119.625 118.700 -0.069 0.000 2.069 99 N HA -0.179 4.569 4.740 0.015 0.000 0.196 99 N C 2.203 177.649 175.510 -0.106 0.000 1.024 99 N CA 0.810 53.816 53.050 -0.074 0.000 0.869 99 N CB -0.553 37.895 38.487 -0.065 0.000 1.035 99 N HN 0.339 nan 8.380 nan 0.000 0.434 100 I N 1.191 121.671 120.570 -0.151 0.000 2.179 100 I HA -0.239 3.940 4.170 0.015 0.000 0.242 100 I C 2.464 178.443 176.117 -0.230 0.000 1.088 100 I CA 1.084 62.233 61.300 -0.252 0.000 1.357 100 I CB -0.416 37.328 38.000 -0.426 0.000 1.051 100 I HN 0.075 nan 8.210 nan 0.000 0.409 101 A N 0.832 123.549 122.820 -0.173 0.000 1.883 101 A HA -0.300 4.029 4.320 0.015 0.000 0.217 101 A C 2.387 179.921 177.584 -0.083 0.000 1.186 101 A CA 2.209 54.178 52.037 -0.115 0.000 0.624 101 A CB -0.623 18.334 19.000 -0.072 0.000 0.822 101 A HN 0.364 nan 8.150 nan 0.000 0.444 102 K N -0.581 119.774 120.400 -0.074 0.000 2.032 102 K HA -0.084 4.245 4.320 0.015 0.000 0.209 102 K C 1.993 178.560 176.600 -0.054 0.000 1.048 102 K CA 1.508 57.762 56.287 -0.054 0.000 0.927 102 K CB -0.303 32.168 32.500 -0.049 0.000 0.712 102 K HN 0.482 nan 8.250 nan 0.000 0.441 103 L N 0.921 122.103 121.223 -0.068 0.000 2.083 103 L HA -0.197 4.152 4.340 0.015 0.000 0.209 103 L C 2.306 179.148 176.870 -0.047 0.000 1.083 103 L CA 1.603 56.410 54.840 -0.056 0.000 0.752 103 L CB -0.291 41.729 42.059 -0.065 0.000 0.899 103 L HN 0.295 nan 8.230 nan 0.000 0.433 104 E N -0.221 119.939 120.200 -0.067 0.000 2.058 104 E HA -0.213 4.146 4.350 0.015 0.000 0.194 104 E C 1.986 178.572 176.600 -0.023 0.000 0.997 104 E CA 1.942 58.319 56.400 -0.039 0.000 0.801 104 E CB -0.363 29.301 29.700 -0.060 0.000 0.746 104 E HN 0.343 nan 8.360 nan 0.000 0.450 105 V N 0.863 120.757 119.914 -0.033 0.000 2.255 105 V HA -0.293 3.835 4.120 0.015 0.000 0.247 105 V C 2.441 178.518 176.094 -0.029 0.000 1.051 105 V CA 2.090 64.372 62.300 -0.030 0.000 1.018 105 V CB -0.540 31.267 31.823 -0.028 0.000 0.641 105 V HN 0.348 nan 8.190 nan 0.000 0.445 106 I N 0.292 120.846 120.570 -0.027 0.000 2.248 106 I HA -0.338 3.841 4.170 0.015 0.000 0.248 106 I C 2.336 178.440 176.117 -0.021 0.000 1.107 106 I CA 2.444 63.728 61.300 -0.026 0.000 1.373 106 I CB -0.530 37.456 38.000 -0.024 0.000 1.055 106 I HN 0.486 nan 8.210 nan 0.000 0.418 107 N N 0.098 118.795 118.700 -0.005 0.000 2.387 107 N HA -0.137 4.612 4.740 0.015 0.000 0.176 107 N C 1.875 177.398 175.510 0.023 0.000 1.022 107 N CA 0.343 53.403 53.050 0.016 0.000 0.883 107 N CB 0.128 38.637 38.487 0.036 0.000 1.019 107 N HN 0.281 nan 8.380 nan 0.000 0.435 108 N N 0.103 118.815 118.700 0.020 0.000 2.220 108 N HA -0.062 4.687 4.740 0.015 0.000 0.182 108 N C 1.210 176.712 175.510 -0.013 0.000 1.023 108 N CA 1.942 55.011 53.050 0.031 0.000 0.856 108 N CB 0.271 38.774 38.487 0.027 0.000 0.997 108 N HN 0.396 nan 8.380 nan 0.000 0.429 109 G N 1.092 109.864 108.800 -0.046 0.000 2.238 109 G HA2 -0.249 3.720 3.960 0.015 0.000 0.217 109 G HA3 -0.249 3.720 3.960 0.015 0.000 0.217 109 G C -0.006 174.848 174.900 -0.076 0.000 0.996 109 G CA 0.399 45.447 45.100 -0.086 0.000 0.632 109 G HN 0.718 nan 8.290 nan 0.000 0.503 110 K N 1.383 121.744 120.400 -0.064 0.000 2.276 110 K HA 0.510 4.839 4.320 0.015 0.000 0.259 110 K C 0.731 177.310 176.600 -0.035 0.000 1.001 110 K CA 0.311 56.560 56.287 -0.064 0.000 0.927 110 K CB 0.302 32.737 32.500 -0.108 0.000 0.969 110 K HN 0.494 nan 8.250 nan 0.000 0.490 111 T N -0.425 114.121 114.554 -0.013 0.000 2.926 111 T HA 0.090 4.449 4.350 0.015 0.000 0.307 111 T C 1.364 176.073 174.700 0.015 0.000 1.059 111 T CA -0.578 61.527 62.100 0.008 0.000 1.122 111 T CB 0.199 69.082 68.868 0.025 0.000 0.972 111 T HN 0.568 nan 8.240 nan 0.000 0.545 112 I N 1.150 121.727 120.570 0.012 0.000 2.454 112 I HA -0.023 4.156 4.170 0.015 0.000 0.254 112 I C 2.390 178.525 176.117 0.030 0.000 1.156 112 I CA 1.038 62.343 61.300 0.008 0.000 1.433 112 I CB -2.146 35.850 38.000 -0.007 0.000 1.082 112 I HN 0.680 nan 8.210 nan 0.000 0.432 113 T N 0.649 115.236 114.554 0.054 0.000 2.759 113 T HA -0.178 4.181 4.350 0.015 0.000 0.269 113 T C 1.788 176.624 174.700 0.226 0.000 1.042 113 T CA 1.993 64.158 62.100 0.107 0.000 1.140 113 T CB -0.224 68.713 68.868 0.116 0.000 0.864 113 T HN 0.561 nan 8.240 nan 0.000 0.455 114 E N 0.471 120.779 120.200 0.179 0.000 2.030 114 E HA 0.075 4.434 4.350 0.015 0.000 0.189 114 E C 2.695 179.414 176.600 0.199 0.000 0.974 114 E CA 0.658 57.195 56.400 0.228 0.000 0.807 114 E CB -0.240 29.512 29.700 0.086 0.000 0.771 114 E HN 0.402 nan 8.360 nan 0.000 0.451 115 A N 1.955 124.824 122.820 0.082 0.000 1.929 115 A HA -0.354 3.975 4.320 0.015 0.000 0.221 115 A C 1.936 179.550 177.584 0.050 0.000 1.211 115 A CA 2.235 54.297 52.037 0.043 0.000 0.657 115 A CB -0.826 18.172 19.000 -0.002 0.000 0.827 115 A HN 0.271 nan 8.150 nan 0.000 0.462 116 E N -1.572 118.633 120.200 0.009 0.000 2.070 116 E HA -0.253 4.106 4.350 0.015 0.000 0.197 116 E C 1.919 178.487 176.600 -0.053 0.000 1.004 116 E CA 1.778 58.138 56.400 -0.067 0.000 0.805 116 E CB -0.402 29.189 29.700 -0.182 0.000 0.744 116 E HN 0.828 nan 8.360 nan 0.000 0.451 117 Y N 1.463 121.790 120.300 0.045 0.000 2.165 117 Y HA -0.220 4.338 4.550 0.014 0.000 0.286 117 Y C 2.138 178.066 175.900 0.046 0.000 1.155 117 Y CA 1.459 59.584 58.100 0.040 0.000 1.164 117 Y CB -0.409 38.073 38.460 0.036 0.000 0.978 117 Y HN 0.009 nan 8.280 nan 0.000 0.513 118 D N -0.187 120.355 120.400 0.237 0.000 2.149 118 D HA -0.196 4.453 4.640 0.015 0.000 0.194 118 D C 2.015 178.412 176.300 0.163 0.000 1.001 118 D CA 1.515 55.627 54.000 0.186 0.000 0.849 118 D CB -0.220 40.688 40.800 0.180 0.000 0.939 118 D HN 0.192 nan 8.370 nan 0.000 0.449 119 I N 0.829 121.492 120.570 0.155 0.000 2.277 119 I HA -0.137 4.042 4.170 0.015 0.000 0.243 119 I C 1.713 177.951 176.117 0.202 0.000 1.094 119 I CA 0.985 62.416 61.300 0.219 0.000 1.393 119 I CB -1.079 36.993 38.000 0.120 0.000 1.078 119 I HN -0.006 nan 8.210 nan 0.000 0.417 120 D N 1.649 122.114 120.400 0.108 0.000 2.133 120 D HA -0.185 4.464 4.640 0.015 0.000 0.195 120 D C 2.227 178.215 176.300 -0.520 0.000 0.997 120 D CA 1.751 55.622 54.000 -0.216 0.000 0.840 120 D CB -0.021 40.736 40.800 -0.072 0.000 0.947 120 D HN 0.325 nan 8.370 nan 0.000 0.452 121 A N 1.087 123.833 122.820 -0.124 0.000 1.978 121 A HA -0.087 4.242 4.320 0.015 0.000 0.220 121 A C 2.340 179.979 177.584 0.092 0.000 1.170 121 A CA 2.239 54.269 52.037 -0.012 0.000 0.636 121 A CB -0.536 18.541 19.000 0.130 0.000 0.810 121 A HN 0.269 nan 8.150 nan 0.000 0.448 122 A N -0.012 122.886 122.820 0.129 0.000 1.855 122 A HA -0.121 4.208 4.320 0.015 0.000 0.215 122 A C 2.159 179.900 177.584 0.262 0.000 1.191 122 A CA 1.432 53.609 52.037 0.234 0.000 0.613 122 A CB -1.058 18.142 19.000 0.334 0.000 0.829 122 A HN 1.049 nan 8.150 nan 0.000 0.442 123 W N -0.017 121.413 121.300 0.216 0.000 2.519 123 W HA -0.082 4.586 4.660 0.015 0.000 0.266 123 W C 1.387 178.007 176.519 0.168 0.000 1.253 123 W CA 0.892 58.340 57.345 0.171 0.000 1.274 123 W CB -0.633 28.908 29.460 0.136 0.000 1.114 123 W HN 0.427 nan 8.180 nan 0.000 0.596 124 Q N 0.666 120.283 119.800 -0.306 0.000 2.123 124 Q HA -0.149 4.200 4.340 0.015 0.000 0.199 124 Q C 2.556 178.581 176.000 0.042 0.000 0.966 124 Q CA 1.895 57.520 55.803 -0.296 0.000 0.845 124 Q CB -0.561 27.831 28.738 -0.577 0.000 0.907 124 Q HN 0.321 nan 8.270 nan 0.000 0.439 125 C N 0.680 120.034 119.300 0.090 0.000 2.429 125 C HA -0.124 4.345 4.460 0.015 0.000 0.277 125 C C 2.513 177.703 174.990 0.334 0.000 1.262 125 C CA 0.571 59.692 59.018 0.171 0.000 1.733 125 C CB -0.906 26.992 27.740 0.264 0.000 2.010 125 C HN 0.437 nan 8.230 nan 0.000 0.483 126 I N 0.200 120.980 120.570 0.351 0.000 2.233 126 I HA -0.142 4.037 4.170 0.015 0.000 0.243 126 I C 2.630 178.955 176.117 0.346 0.000 1.093 126 I CA 1.810 63.344 61.300 0.389 0.000 1.380 126 I CB -0.778 37.458 38.000 0.393 0.000 1.067 126 I HN 0.411 nan 8.210 nan 0.000 0.413 127 E N 0.197 120.604 120.200 0.345 0.000 2.204 127 E HA -0.276 4.083 4.350 0.015 0.000 0.195 127 E C 2.053 178.781 176.600 0.213 0.000 0.990 127 E CA 1.154 57.734 56.400 0.300 0.000 0.821 127 E CB -0.011 29.934 29.700 0.407 0.000 0.750 127 E HN 0.492 nan 8.360 nan 0.000 0.477 128 Y N -0.522 119.805 120.300 0.045 0.000 2.153 128 Y HA -0.214 4.342 4.550 0.010 0.000 0.289 128 Y C 1.609 177.420 175.900 -0.148 0.000 1.119 128 Y CA 1.617 59.650 58.100 -0.112 0.000 1.116 128 Y CB -0.482 37.814 38.460 -0.274 0.000 1.004 128 Y HN 0.041 nan 8.280 nan 0.000 0.501 129 Y N 0.268 120.579 120.300 0.018 0.000 2.274 129 Y HA -0.147 4.408 4.550 0.009 0.000 0.290 129 Y C 2.620 178.497 175.900 -0.038 0.000 1.145 129 Y CA 1.031 59.095 58.100 -0.061 0.000 1.203 129 Y CB -1.104 37.395 38.460 0.065 0.000 0.984 129 Y HN 0.294 nan 8.280 nan 0.000 0.533 130 A N -0.025 122.891 122.820 0.160 0.000 1.858 130 A HA -0.140 4.189 4.320 0.015 0.000 0.216 130 A C 2.588 180.196 177.584 0.040 0.000 1.190 130 A CA 1.819 53.936 52.037 0.134 0.000 0.617 130 A CB -1.471 17.629 19.000 0.168 0.000 0.827 130 A HN 0.432 nan 8.150 nan 0.000 0.443 131 G N -1.269 107.519 108.800 -0.020 0.000 2.625 131 G HA2 0.041 4.010 3.960 0.015 0.000 0.214 131 G HA3 0.041 4.010 3.960 0.015 0.000 0.214 131 G C 1.238 176.067 174.900 -0.118 0.000 1.132 131 G CA 1.035 46.099 45.100 -0.061 0.000 0.782 131 G HN 0.423 nan 8.290 nan 0.000 0.538 132 L N 0.260 121.389 121.223 -0.158 0.000 2.513 132 L HA 0.506 4.855 4.340 0.015 0.000 0.222 132 L C 2.782 179.634 176.870 -0.030 0.000 1.096 132 L CA 1.089 55.839 54.840 -0.151 0.000 0.857 132 L CB -0.143 41.753 42.059 -0.272 0.000 1.026 132 L HN 0.137 nan 8.230 nan 0.000 0.469 133 A N 0.779 123.603 122.820 0.006 0.000 1.908 133 A HA -0.071 4.258 4.320 0.015 0.000 0.218 133 A C -0.306 177.269 177.584 -0.015 0.000 1.181 133 A CA 1.727 53.771 52.037 0.012 0.000 0.627 133 A CB -1.816 17.192 19.000 0.014 0.000 0.818 133 A HN 0.400 nan 8.150 nan 0.000 0.445 134 P HA 0.004 nan 4.420 nan 0.000 0.239 134 P C 0.925 178.211 177.300 -0.023 0.000 1.184 134 P CA 1.170 64.253 63.100 -0.028 0.000 0.760 134 P CB 0.111 31.795 31.700 -0.026 0.000 0.884 135 T N -1.186 113.356 114.554 -0.019 0.000 3.037 135 T HA 0.106 4.465 4.350 0.015 0.000 0.252 135 T C 0.526 175.226 174.700 0.000 0.000 1.073 135 T CA -0.123 61.969 62.100 -0.014 0.000 1.091 135 T CB -0.321 68.534 68.868 -0.023 0.000 0.935 135 T HN -0.116 nan 8.240 nan 0.000 0.488 136 L N 3.808 125.034 121.223 0.006 0.000 2.667 136 L HA 0.143 4.492 4.340 0.015 0.000 0.278 136 L C 0.692 177.571 176.870 0.016 0.000 1.217 136 L CA 0.474 55.326 54.840 0.019 0.000 0.935 136 L CB -0.746 41.326 42.059 0.020 0.000 1.193 136 L HN 0.311 nan 8.230 nan 0.000 0.493 137 S N 1.440 117.155 115.700 0.025 0.000 2.643 137 S HA 0.952 5.431 4.470 0.015 0.000 0.270 137 S C -0.383 174.244 174.600 0.044 0.000 1.166 137 S CA -0.319 57.899 58.200 0.030 0.000 0.815 137 S CB 1.464 64.677 63.200 0.022 0.000 1.139 137 S HN 0.728 nan 8.310 nan 0.000 0.472 138 G N -0.629 108.208 108.800 0.061 0.000 3.140 138 G HA2 0.675 4.644 3.960 0.015 0.000 0.271 138 G HA3 0.675 4.644 3.960 0.015 0.000 0.271 138 G C -1.503 173.455 174.900 0.096 0.000 1.370 138 G CA -0.850 44.299 45.100 0.081 0.000 1.014 138 G HN 0.753 nan 8.290 nan 0.000 0.541 139 Q N -0.946 118.926 119.800 0.120 0.000 2.306 139 Q HA 0.419 4.768 4.340 0.015 0.000 0.269 139 Q C -1.234 174.906 176.000 0.233 0.000 1.053 139 Q CA -0.840 55.048 55.803 0.141 0.000 0.879 139 Q CB 2.360 31.158 28.738 0.100 0.000 1.344 139 Q HN 0.590 nan 8.270 nan 0.000 0.464 140 H N 1.194 120.338 119.070 0.123 0.000 3.013 140 H HA 0.447 5.009 4.556 0.009 0.000 0.326 140 H C -1.714 173.695 175.328 0.135 0.000 0.973 140 H CA -0.398 55.756 56.048 0.176 0.000 1.369 140 H CB 0.309 30.139 29.762 0.113 0.000 1.598 140 H HN 0.570 nan 8.280 nan 0.000 0.518 141 I N 3.938 124.472 120.570 -0.060 0.000 2.530 141 I HA 0.225 4.404 4.170 0.015 0.000 0.297 141 I C -0.121 175.968 176.117 -0.047 0.000 1.011 141 I CA -0.929 60.376 61.300 0.008 0.000 1.107 141 I CB 2.501 40.514 38.000 0.020 0.000 1.285 141 I HN 0.422 nan 8.210 nan 0.000 0.436 142 Q N 5.248 125.077 119.800 0.048 0.000 2.274 142 Q HA 0.568 4.917 4.340 0.015 0.000 0.256 142 Q C -0.992 175.044 176.000 0.059 0.000 0.927 142 Q CA -0.371 55.479 55.803 0.078 0.000 0.939 142 Q CB 1.926 30.723 28.738 0.098 0.000 1.201 142 Q HN 0.468 nan 8.270 nan 0.000 0.426 143 L N 3.090 124.353 121.223 0.067 0.000 2.365 143 L HA 0.563 4.912 4.340 0.015 0.000 0.267 143 L C -2.068 174.825 176.870 0.038 0.000 1.033 143 L CA -2.435 52.427 54.840 0.037 0.000 0.802 143 L CB 0.717 42.786 42.059 0.017 0.000 1.267 143 L HN 0.389 nan 8.230 nan 0.000 0.457 144 P HA 0.087 nan 4.420 nan 0.000 0.267 144 P C 0.199 177.513 177.300 0.023 0.000 1.200 144 P CA 0.371 63.482 63.100 0.019 0.000 0.772 144 P CB 0.456 32.161 31.700 0.009 0.000 0.855 145 G N 1.918 110.732 108.800 0.024 0.000 2.295 145 G HA2 -0.046 3.923 3.960 0.015 0.000 0.287 145 G HA3 -0.046 3.923 3.960 0.015 0.000 0.287 145 G C 0.967 175.891 174.900 0.040 0.000 1.055 145 G CA 0.566 45.681 45.100 0.026 0.000 0.922 145 G HN 1.037 nan 8.290 nan 0.000 0.503 146 G N -1.247 107.584 108.800 0.053 0.000 2.377 146 G HA2 0.078 4.047 3.960 0.015 0.000 0.250 146 G HA3 0.078 4.047 3.960 0.015 0.000 0.250 146 G C 1.239 176.218 174.900 0.131 0.000 1.039 146 G CA 1.463 46.610 45.100 0.079 0.000 0.625 146 G HN 2.383 nan 8.290 nan 0.000 0.526 147 A N 0.134 123.016 122.820 0.103 0.000 2.406 147 A HA 0.721 5.050 4.320 0.015 0.000 0.243 147 A C -0.020 177.678 177.584 0.190 0.000 1.082 147 A CA 0.976 53.079 52.037 0.110 0.000 0.786 147 A CB 0.134 19.141 19.000 0.012 0.000 1.029 147 A HN 1.867 nan 8.150 nan 0.000 0.495 148 F N -1.766 118.166 119.950 -0.031 0.000 2.626 148 F HA 0.821 5.354 4.527 0.011 0.000 0.311 148 F C -0.297 175.444 175.800 -0.099 0.000 1.088 148 F CA -0.670 57.277 58.000 -0.088 0.000 0.949 148 F CB 1.174 40.105 39.000 -0.115 0.000 1.322 148 F HN 0.807 nan 8.300 nan 0.000 0.461 149 A N 1.781 124.551 122.820 -0.084 0.000 2.430 149 A HA 0.934 5.263 4.320 0.015 0.000 0.300 149 A C -2.019 175.570 177.584 0.008 0.000 1.124 149 A CA -0.699 51.230 52.037 -0.181 0.000 0.766 149 A CB 1.534 20.446 19.000 -0.146 0.000 1.328 149 A HN 1.649 nan 8.150 nan 0.000 0.424 150 Y N -1.598 118.659 120.300 -0.073 0.000 2.558 150 Y HA 0.670 5.226 4.550 0.010 0.000 0.333 150 Y C -0.453 175.451 175.900 0.008 0.000 1.125 150 Y CA -0.586 57.523 58.100 0.016 0.000 1.039 150 Y CB 0.695 39.232 38.460 0.128 0.000 1.331 150 Y HN 0.886 nan 8.280 nan 0.000 0.456 151 T N 0.976 115.656 114.554 0.210 0.000 2.895 151 T HA 0.760 5.119 4.350 0.015 0.000 0.283 151 T C -0.658 174.167 174.700 0.208 0.000 1.014 151 T CA -1.051 61.116 62.100 0.112 0.000 1.037 151 T CB 1.563 70.466 68.868 0.058 0.000 1.006 151 T HN 0.821 nan 8.240 nan 0.000 0.468 152 R N 1.279 121.866 120.500 0.145 0.000 2.445 152 R HA 0.461 4.810 4.340 0.015 0.000 0.308 152 R C -0.175 176.175 176.300 0.084 0.000 0.961 152 R CA -0.899 55.287 56.100 0.144 0.000 0.862 152 R CB 1.976 32.363 30.300 0.146 0.000 1.144 152 R HN 0.614 nan 8.270 nan 0.000 0.447 153 R N 2.923 123.465 120.500 0.071 0.000 2.205 153 R HA 0.107 4.456 4.340 0.015 0.000 0.342 153 R C -0.737 175.599 176.300 0.059 0.000 1.058 153 R CA -0.047 56.087 56.100 0.057 0.000 0.904 153 R CB 0.584 30.914 30.300 0.050 0.000 1.089 153 R HN 0.628 nan 8.270 nan 0.000 0.471 154 E N 5.548 125.787 120.200 0.065 0.000 2.221 154 E HA 0.388 4.747 4.350 0.015 0.000 0.268 154 E C -2.374 174.286 176.600 0.100 0.000 0.933 154 E CA -2.338 54.108 56.400 0.077 0.000 0.809 154 E CB 1.875 31.621 29.700 0.076 0.000 1.190 154 E HN 0.480 nan 8.360 nan 0.000 0.406 155 P HA 0.013 nan 4.420 nan 0.000 0.272 155 P C 0.183 177.563 177.300 0.133 0.000 1.230 155 P CA -0.301 62.909 63.100 0.184 0.000 0.788 155 P CB 1.024 32.916 31.700 0.319 0.000 0.949 156 L N 0.686 121.941 121.223 0.054 0.000 2.131 156 L HA 0.200 4.548 4.340 0.015 0.000 0.206 156 L C 1.851 178.609 176.870 -0.188 0.000 1.087 156 L CA 2.344 57.136 54.840 -0.081 0.000 0.767 156 L CB -1.548 40.424 42.059 -0.144 0.000 0.917 156 L HN 0.873 nan 8.230 nan 0.000 0.441 157 G N -1.721 106.855 108.800 -0.373 0.000 2.113 157 G HA2 -0.079 3.889 3.960 0.015 0.000 0.082 157 G HA3 -0.079 3.889 3.960 0.015 0.000 0.082 157 G C -1.122 173.346 174.900 -0.721 0.000 1.155 157 G CA -0.282 44.294 45.100 -0.873 0.000 1.241 157 G HN -0.156 nan 8.290 nan 0.000 0.453 158 V N 1.136 120.800 119.914 -0.417 0.000 2.350 158 V HA 0.490 4.619 4.120 0.015 0.000 0.276 158 V C 0.176 176.197 176.094 -0.123 0.000 1.028 158 V CA -0.497 61.663 62.300 -0.233 0.000 0.860 158 V CB 0.763 32.478 31.823 -0.181 0.000 0.990 158 V HN 0.814 nan 8.190 nan 0.000 0.453 159 C N 5.149 124.423 119.300 -0.043 0.000 2.307 159 C HA 0.772 5.241 4.460 0.015 0.000 0.340 159 C C 0.849 175.883 174.990 0.073 0.000 1.275 159 C CA -0.689 58.356 59.018 0.046 0.000 1.811 159 C CB 0.214 28.059 27.740 0.175 0.000 2.372 159 C HN 0.955 nan 8.230 nan 0.000 0.531 160 A N 2.860 125.725 122.820 0.075 0.000 2.292 160 A HA 0.767 5.096 4.320 0.015 0.000 0.319 160 A C 0.214 177.891 177.584 0.156 0.000 1.206 160 A CA -0.187 51.908 52.037 0.098 0.000 0.835 160 A CB 0.557 19.591 19.000 0.057 0.000 1.164 160 A HN 1.103 nan 8.150 nan 0.000 0.505 161 G N 1.284 110.211 108.800 0.211 0.000 2.470 161 G HA2 0.570 4.539 3.960 0.015 0.000 0.320 161 G HA3 0.570 4.539 3.960 0.015 0.000 0.320 161 G C -0.733 174.296 174.900 0.215 0.000 1.245 161 G CA -0.424 44.801 45.100 0.208 0.000 0.935 161 G HN 0.652 nan 8.290 nan 0.000 0.476 162 I N 3.493 124.170 120.570 0.179 0.000 2.371 162 I HA 0.246 4.425 4.170 0.015 0.000 0.282 162 I C 0.097 176.245 176.117 0.052 0.000 1.031 162 I CA -0.383 61.032 61.300 0.192 0.000 1.180 162 I CB 1.208 39.408 38.000 0.333 0.000 1.336 162 I HN 0.158 nan 8.210 nan 0.000 0.467 163 L N 4.962 126.213 121.223 0.047 0.000 2.479 163 L HA 0.724 5.073 4.340 0.015 0.000 0.249 163 L C 0.581 177.412 176.870 -0.065 0.000 1.178 163 L CA -0.467 54.346 54.840 -0.046 0.000 0.811 163 L CB 0.650 42.692 42.059 -0.029 0.000 1.187 163 L HN 0.598 nan 8.230 nan 0.000 0.480 164 A N -0.314 122.437 122.820 -0.116 0.000 2.387 164 A HA 0.462 4.791 4.320 0.015 0.000 0.298 164 A C 0.012 177.548 177.584 -0.080 0.000 1.165 164 A CA -0.720 51.208 52.037 -0.182 0.000 0.814 164 A CB 0.932 19.721 19.000 -0.353 0.000 1.357 164 A HN 0.920 nan 8.150 nan 0.000 0.443 165 W N 0.650 121.995 121.300 0.075 0.000 3.114 165 W HA 0.030 4.700 4.660 0.017 0.000 0.279 165 W C 0.815 177.378 176.519 0.072 0.000 1.277 165 W CA 0.687 58.080 57.345 0.081 0.000 1.630 165 W CB -0.513 28.999 29.460 0.087 0.000 1.087 165 W HN 0.839 nan 8.180 nan 0.000 0.637 166 N N 1.414 119.974 118.700 -0.232 0.000 2.381 166 N HA -0.218 4.530 4.740 0.015 0.000 0.182 166 N C -0.475 174.905 175.510 -0.216 0.000 1.025 166 N CA 0.940 53.930 53.050 -0.100 0.000 0.888 166 N CB -0.987 37.385 38.487 -0.191 0.000 0.965 166 N HN 0.193 nan 8.380 nan 0.000 0.438 167 Y N -0.617 119.637 120.300 -0.076 0.000 2.513 167 Y HA 0.401 4.961 4.550 0.017 0.000 0.341 167 Y C -1.886 173.966 175.900 -0.080 0.000 1.075 167 Y CA -2.014 56.027 58.100 -0.098 0.000 1.190 167 Y CB 1.788 40.109 38.460 -0.232 0.000 1.111 167 Y HN -0.092 nan 8.280 nan 0.000 0.644 168 P HA -0.259 nan 4.420 nan 0.000 0.213 168 P C 1.710 179.068 177.300 0.097 0.000 1.176 168 P CA 1.682 64.849 63.100 0.113 0.000 0.919 168 P CB 0.163 31.957 31.700 0.157 0.000 0.791 169 F N -1.270 118.672 119.950 -0.013 0.000 2.186 169 F HA -0.088 4.448 4.527 0.016 0.000 0.299 169 F C 2.473 178.227 175.800 -0.077 0.000 1.090 169 F CA 1.361 59.345 58.000 -0.026 0.000 1.307 169 F CB -0.570 38.433 39.000 0.005 0.000 1.019 169 F HN -0.210 nan 8.300 nan 0.000 0.489 170 M N -0.358 119.251 119.600 0.015 0.000 2.099 170 M HA -0.188 4.301 4.480 0.015 0.000 0.262 170 M C 2.362 178.338 176.300 -0.540 0.000 1.067 170 M CA 1.798 56.931 55.300 -0.277 0.000 1.124 170 M CB -0.450 31.930 32.600 -0.368 0.000 1.353 170 M HN 0.333 nan 8.290 nan 0.000 0.410 171 I N 0.147 120.464 120.570 -0.421 0.000 2.286 171 I HA -0.239 3.940 4.170 0.015 0.000 0.248 171 I C 2.272 178.262 176.117 -0.212 0.000 1.115 171 I CA 1.517 62.625 61.300 -0.319 0.000 1.392 171 I CB -0.213 37.660 38.000 -0.213 0.000 1.065 171 I HN 0.352 nan 8.210 nan 0.000 0.418 172 A N 0.887 123.508 122.820 -0.330 0.000 1.902 172 A HA -0.186 4.143 4.320 0.015 0.000 0.217 172 A C 2.492 179.874 177.584 -0.337 0.000 1.181 172 A CA 1.822 53.525 52.037 -0.558 0.000 0.623 172 A CB -1.051 17.459 19.000 -0.817 0.000 0.818 172 A HN 0.575 nan 8.150 nan 0.000 0.443 173 A N -1.567 121.106 122.820 -0.245 0.000 1.902 173 A HA -0.153 4.176 4.320 0.015 0.000 0.217 173 A C 1.873 179.584 177.584 0.212 0.000 1.181 173 A CA 1.518 53.541 52.037 -0.024 0.000 0.623 173 A CB -0.844 18.132 19.000 -0.040 0.000 0.818 173 A HN 0.718 nan 8.150 nan 0.000 0.443 174 W N 0.335 121.593 121.300 -0.070 0.000 2.421 174 W HA 0.007 4.681 4.660 0.024 0.000 0.270 174 W C 2.058 178.531 176.519 -0.078 0.000 1.233 174 W CA 1.137 58.470 57.345 -0.020 0.000 1.226 174 W CB -0.191 29.264 29.460 -0.008 0.000 1.121 174 W HN 0.387 nan 8.180 nan 0.000 0.579 175 K N -1.676 118.776 120.400 0.086 0.000 2.214 175 K HA -0.011 4.318 4.320 0.015 0.000 0.201 175 K C 1.987 178.505 176.600 -0.137 0.000 1.049 175 K CA 1.117 57.391 56.287 -0.023 0.000 0.978 175 K CB -0.497 32.013 32.500 0.015 0.000 0.842 175 K HN -0.035 nan 8.250 nan 0.000 0.474 176 C N 1.289 120.554 119.300 -0.059 0.000 2.453 176 C HA -0.035 4.434 4.460 0.015 0.000 0.277 176 C C 2.830 177.739 174.990 -0.134 0.000 1.262 176 C CA 0.853 59.834 59.018 -0.062 0.000 1.718 176 C CB -0.840 26.949 27.740 0.081 0.000 2.031 176 C HN 0.542 nan 8.230 nan 0.000 0.480 177 A N 2.694 125.512 122.820 -0.004 0.000 1.863 177 A HA -0.223 4.106 4.320 0.015 0.000 0.218 177 A C 0.591 178.033 177.584 -0.238 0.000 1.233 177 A CA 2.837 54.907 52.037 0.056 0.000 0.655 177 A CB -2.151 17.022 19.000 0.288 0.000 0.839 177 A HN 0.533 nan 8.150 nan 0.000 0.454 178 P HA -0.157 nan 4.420 nan 0.000 0.216 178 P C 1.658 178.578 177.300 -0.633 0.000 1.153 178 P CA 2.132 64.603 63.100 -1.049 0.000 0.848 178 P CB -0.283 30.619 31.700 -1.329 0.000 0.787 179 A N 0.187 122.550 122.820 -0.761 0.000 1.884 179 A HA -0.212 4.117 4.320 0.015 0.000 0.219 179 A C 2.311 179.858 177.584 -0.062 0.000 1.197 179 A CA 2.122 53.905 52.037 -0.423 0.000 0.637 179 A CB -1.668 17.172 19.000 -0.266 0.000 0.827 179 A HN 0.113 nan 8.150 nan 0.000 0.450 180 L N -0.621 120.564 121.223 -0.063 0.000 2.027 180 L HA -0.034 4.315 4.340 0.015 0.000 0.206 180 L C 3.031 180.101 176.870 0.334 0.000 1.074 180 L CA 1.805 56.742 54.840 0.162 0.000 0.745 180 L CB -1.022 40.964 42.059 -0.122 0.000 0.898 180 L HN 0.394 nan 8.230 nan 0.000 0.433 181 A N -1.538 121.371 122.820 0.149 0.000 1.997 181 A HA -0.285 4.044 4.320 0.015 0.000 0.221 181 A C 2.282 179.925 177.584 0.099 0.000 1.172 181 A CA 2.119 54.242 52.037 0.143 0.000 0.645 181 A CB -1.313 17.765 19.000 0.130 0.000 0.813 181 A HN 0.567 nan 8.150 nan 0.000 0.454 182 C N -1.825 117.534 119.300 0.099 0.000 2.626 182 C HA 0.445 4.914 4.460 0.015 0.000 0.266 182 C C 2.027 177.099 174.990 0.138 0.000 1.317 182 C CA 0.393 59.477 59.018 0.109 0.000 1.716 182 C CB -1.000 26.826 27.740 0.142 0.000 1.819 182 C HN 1.110 nan 8.230 nan 0.000 0.578 183 G N 1.090 110.019 108.800 0.214 0.000 2.176 183 G HA2 -0.193 3.776 3.960 0.015 0.000 0.232 183 G HA3 -0.193 3.776 3.960 0.015 0.000 0.232 183 G C -0.105 175.121 174.900 0.544 0.000 0.986 183 G CA -0.203 45.032 45.100 0.225 0.000 0.643 183 G HN 0.519 nan 8.290 nan 0.000 0.522 184 N N 0.616 119.578 118.700 0.437 0.000 2.381 184 N HA 0.590 5.339 4.740 0.015 0.000 0.254 184 N C 0.321 175.992 175.510 0.268 0.000 1.264 184 N CA 0.561 53.803 53.050 0.321 0.000 0.942 184 N CB 1.185 39.780 38.487 0.180 0.000 1.190 184 N HN 0.667 nan 8.380 nan 0.000 0.495 185 A N 0.359 123.244 122.820 0.107 0.000 2.340 185 A HA 0.630 4.959 4.320 0.015 0.000 0.331 185 A C -0.446 177.125 177.584 -0.022 0.000 1.140 185 A CA -0.579 51.469 52.037 0.018 0.000 0.801 185 A CB 0.968 20.006 19.000 0.062 0.000 1.234 185 A HN 0.355 nan 8.150 nan 0.000 0.469 186 V N 1.260 121.150 119.914 -0.039 0.000 2.680 186 V HA 0.595 4.724 4.120 0.015 0.000 0.309 186 V C -0.731 175.378 176.094 0.025 0.000 1.052 186 V CA -0.476 61.840 62.300 0.027 0.000 0.908 186 V CB 1.918 33.789 31.823 0.080 0.000 1.001 186 V HN 0.664 nan 8.190 nan 0.000 0.431 187 V N 5.222 125.165 119.914 0.048 0.000 2.462 187 V HA 0.524 4.653 4.120 0.015 0.000 0.288 187 V C -0.761 175.387 176.094 0.091 0.000 1.020 187 V CA -0.483 61.813 62.300 -0.006 0.000 0.857 187 V CB 1.090 32.884 31.823 -0.048 0.000 1.013 187 V HN 0.770 nan 8.190 nan 0.000 0.431 188 F N 1.859 121.860 119.950 0.085 0.000 2.556 188 F HA 0.804 5.340 4.527 0.015 0.000 0.327 188 F C -0.424 175.440 175.800 0.106 0.000 1.059 188 F CA -1.505 56.548 58.000 0.087 0.000 0.953 188 F CB 1.813 40.861 39.000 0.080 0.000 1.227 188 F HN 0.307 nan 8.300 nan 0.000 0.478 189 K N 3.504 124.149 120.400 0.408 0.000 2.521 189 K HA 0.498 4.827 4.320 0.015 0.000 0.248 189 K C -2.990 173.805 176.600 0.324 0.000 0.978 189 K CA -1.949 54.517 56.287 0.298 0.000 0.947 189 K CB 1.441 34.063 32.500 0.204 0.000 1.165 189 K HN 0.398 nan 8.250 nan 0.000 0.445 190 P HA -0.028 nan 4.420 nan 0.000 0.272 190 P C -0.713 176.720 177.300 0.223 0.000 1.240 190 P CA -0.362 62.902 63.100 0.274 0.000 0.791 190 P CB 0.776 32.653 31.700 0.294 0.000 0.978 191 S N 2.243 118.074 115.700 0.218 0.000 2.533 191 S HA 0.104 4.583 4.470 0.015 0.000 0.282 191 S C -1.162 173.570 174.600 0.219 0.000 1.304 191 S CA -1.235 57.115 58.200 0.251 0.000 1.063 191 S CB -0.401 63.021 63.200 0.371 0.000 0.881 191 S HN 0.303 nan 8.310 nan 0.000 0.493 192 P HA -0.186 nan 4.420 nan 0.000 0.219 192 P C 1.154 178.535 177.300 0.135 0.000 1.144 192 P CA 1.472 64.662 63.100 0.150 0.000 0.806 192 P CB 0.040 31.821 31.700 0.136 0.000 0.771 193 M N -0.717 118.968 119.600 0.141 0.000 2.419 193 M HA -0.006 4.483 4.480 0.015 0.000 0.264 193 M C 0.703 177.078 176.300 0.124 0.000 1.082 193 M CA 1.578 56.941 55.300 0.106 0.000 1.119 193 M CB -0.366 32.228 32.600 -0.009 0.000 1.398 193 M HN -0.003 nan 8.290 nan 0.000 0.453 194 T N -2.778 111.876 114.554 0.166 0.000 3.630 194 T HA 0.294 4.653 4.350 0.015 0.000 0.238 194 T C -2.152 172.645 174.700 0.162 0.000 1.195 194 T CA -1.186 61.011 62.100 0.162 0.000 1.433 194 T CB 0.313 69.305 68.868 0.206 0.000 0.940 194 T HN 0.056 nan 8.240 nan 0.000 0.641 195 P HA 0.044 nan 4.420 nan 0.000 0.227 195 P C 1.595 178.977 177.300 0.137 0.000 1.161 195 P CA 0.060 63.248 63.100 0.147 0.000 0.788 195 P CB 0.370 32.143 31.700 0.122 0.000 0.822 196 V N 1.986 121.965 119.914 0.108 0.000 2.216 196 V HA -0.199 3.930 4.120 0.015 0.000 0.243 196 V C 2.534 178.699 176.094 0.118 0.000 1.044 196 V CA 3.626 65.980 62.300 0.090 0.000 0.995 196 V CB -1.716 30.140 31.823 0.054 0.000 0.633 196 V HN 0.243 nan 8.190 nan 0.000 0.446 197 T N -1.779 112.857 114.554 0.137 0.000 2.897 197 T HA -0.063 4.296 4.350 0.015 0.000 0.271 197 T C 1.904 176.806 174.700 0.336 0.000 1.084 197 T CA 1.472 63.693 62.100 0.200 0.000 1.123 197 T CB -1.247 67.739 68.868 0.197 0.000 0.865 197 T HN 0.713 nan 8.240 nan 0.000 0.496 198 G N 1.211 110.185 108.800 0.291 0.000 2.480 198 G HA2 -0.201 3.768 3.960 0.015 0.000 0.216 198 G HA3 -0.201 3.768 3.960 0.015 0.000 0.216 198 G C 1.615 176.704 174.900 0.314 0.000 1.200 198 G CA 0.878 46.189 45.100 0.352 0.000 0.782 198 G HN 0.474 nan 8.290 nan 0.000 0.554 199 V N 1.374 121.394 119.914 0.176 0.000 2.546 199 V HA -0.189 3.940 4.120 0.015 0.000 0.254 199 V C 2.688 178.743 176.094 -0.066 0.000 1.076 199 V CA 1.607 63.899 62.300 -0.015 0.000 1.087 199 V CB -0.376 31.427 31.823 -0.034 0.000 0.674 199 V HN 0.330 nan 8.190 nan 0.000 0.470 200 I N -0.485 120.131 120.570 0.077 0.000 2.127 200 I HA -0.230 3.949 4.170 0.015 0.000 0.241 200 I C 2.470 178.658 176.117 0.118 0.000 1.075 200 I CA 2.109 63.465 61.300 0.093 0.000 1.334 200 I CB -1.493 36.606 38.000 0.165 0.000 1.040 200 I HN 0.429 nan 8.210 nan 0.000 0.405 201 L N 1.472 122.839 121.223 0.241 0.000 1.990 201 L HA -0.221 4.128 4.340 0.015 0.000 0.213 201 L C 2.652 179.527 176.870 0.008 0.000 1.072 201 L CA 2.449 57.320 54.840 0.051 0.000 0.755 201 L CB -0.983 40.979 42.059 -0.162 0.000 0.889 201 L HN 0.241 nan 8.230 nan 0.000 0.432 202 A N -0.684 122.188 122.820 0.087 0.000 1.859 202 A HA -0.304 4.024 4.320 0.015 0.000 0.217 202 A C 2.130 179.742 177.584 0.046 0.000 1.198 202 A CA 2.211 54.289 52.037 0.069 0.000 0.629 202 A CB -0.892 17.964 19.000 -0.240 0.000 0.830 202 A HN 0.664 nan 8.150 nan 0.000 0.446 203 E N -0.402 119.668 120.200 -0.218 0.000 2.058 203 E HA -0.203 4.156 4.350 0.015 0.000 0.194 203 E C 1.969 178.640 176.600 0.118 0.000 0.997 203 E CA 1.385 57.763 56.400 -0.036 0.000 0.801 203 E CB -0.417 29.231 29.700 -0.086 0.000 0.746 203 E HN 0.725 nan 8.360 nan 0.000 0.450 204 I N 0.470 121.055 120.570 0.025 0.000 2.208 204 I HA -0.285 3.894 4.170 0.015 0.000 0.245 204 I C 2.196 178.319 176.117 0.010 0.000 1.097 204 I CA 1.132 62.423 61.300 -0.016 0.000 1.363 204 I CB -0.343 37.591 38.000 -0.110 0.000 1.051 204 I HN 0.028 nan 8.210 nan 0.000 0.413 205 F N 0.658 120.642 119.950 0.057 0.000 2.126 205 F HA -0.244 4.292 4.527 0.015 0.000 0.299 205 F C 2.730 178.496 175.800 -0.057 0.000 1.096 205 F CA 1.474 59.457 58.000 -0.028 0.000 1.255 205 F CB -1.030 37.901 39.000 -0.114 0.000 0.997 205 F HN 0.156 nan 8.300 nan 0.000 0.479 206 H N -0.490 118.718 119.070 0.231 0.000 2.319 206 H HA -0.185 4.380 4.556 0.016 0.000 0.299 206 H C 2.233 177.639 175.328 0.131 0.000 1.092 206 H CA 1.788 57.938 56.048 0.170 0.000 1.302 206 H CB -0.526 29.361 29.762 0.208 0.000 1.373 206 H HN 0.374 nan 8.280 nan 0.000 0.497 207 E N 0.753 121.095 120.200 0.236 0.000 2.160 207 E HA -0.135 4.224 4.350 0.015 0.000 0.195 207 E C 2.307 178.979 176.600 0.120 0.000 0.991 207 E CA 0.847 57.335 56.400 0.146 0.000 0.810 207 E CB 0.029 29.790 29.700 0.101 0.000 0.742 207 E HN 0.403 nan 8.360 nan 0.000 0.466 208 A N 0.067 122.964 122.820 0.128 0.000 1.969 208 A HA 0.051 4.380 4.320 0.015 0.000 0.218 208 A C 1.842 179.507 177.584 0.134 0.000 1.169 208 A CA 1.481 53.595 52.037 0.129 0.000 0.635 208 A CB -0.322 18.782 19.000 0.174 0.000 0.810 208 A HN 0.527 nan 8.150 nan 0.000 0.445 209 G N -2.388 106.492 108.800 0.133 0.000 2.161 209 G HA2 0.006 3.975 3.960 0.015 0.000 0.140 209 G HA3 0.006 3.975 3.960 0.015 0.000 0.140 209 G C -0.069 174.902 174.900 0.117 0.000 1.040 209 G CA -0.130 45.047 45.100 0.127 0.000 0.735 209 G HN 0.580 nan 8.290 nan 0.000 0.496 210 V N 1.345 121.280 119.914 0.034 0.000 2.775 210 V HA 0.370 4.499 4.120 0.015 0.000 0.299 210 V C -1.349 174.702 176.094 -0.072 0.000 1.062 210 V CA -1.047 61.176 62.300 -0.128 0.000 1.063 210 V CB 1.248 32.837 31.823 -0.389 0.000 0.994 210 V HN 0.154 nan 8.190 nan 0.000 0.483 211 P HA 0.045 nan 4.420 nan 0.000 0.264 211 P C -0.465 176.856 177.300 0.034 0.000 1.193 211 P CA -0.086 63.047 63.100 0.055 0.000 0.763 211 P CB 0.251 32.021 31.700 0.117 0.000 0.810 212 V N 3.899 123.895 119.914 0.136 0.000 2.583 212 V HA 0.121 4.250 4.120 0.015 0.000 0.302 212 V C 1.701 177.923 176.094 0.213 0.000 1.033 212 V CA 2.113 64.561 62.300 0.247 0.000 1.194 212 V CB -0.686 31.234 31.823 0.162 0.000 0.879 212 V HN 1.068 nan 8.190 nan 0.000 0.482 213 G N 3.773 112.796 108.800 0.371 0.000 2.195 213 G HA2 -0.245 3.724 3.960 0.015 0.000 0.224 213 G HA3 -0.245 3.724 3.960 0.015 0.000 0.224 213 G C 0.488 175.450 174.900 0.103 0.000 0.990 213 G CA 0.271 45.501 45.100 0.216 0.000 0.639 213 G HN 0.723 nan 8.290 nan 0.000 0.514 214 L N 0.766 121.965 121.223 -0.041 0.000 2.079 214 L HA 0.295 4.643 4.340 0.015 0.000 0.210 214 L C 1.126 177.899 176.870 -0.161 0.000 1.081 214 L CA 1.949 56.675 54.840 -0.189 0.000 0.752 214 L CB 0.108 41.871 42.059 -0.494 0.000 0.896 214 L HN 0.269 nan 8.230 nan 0.000 0.433 215 V N 1.400 121.262 119.914 -0.087 0.000 2.407 215 V HA 0.421 4.550 4.120 0.015 0.000 0.291 215 V C -0.522 175.692 176.094 0.199 0.000 1.018 215 V CA -0.919 61.392 62.300 0.017 0.000 0.842 215 V CB 1.210 33.062 31.823 0.048 0.000 0.996 215 V HN 0.211 nan 8.190 nan 0.000 0.426 216 N N 2.835 121.580 118.700 0.075 0.000 2.402 216 N HA 0.801 5.550 4.740 0.015 0.000 0.294 216 N C -1.229 174.189 175.510 -0.154 0.000 1.203 216 N CA -0.478 52.653 53.050 0.134 0.000 0.838 216 N CB 2.781 41.349 38.487 0.135 0.000 1.306 216 N HN 0.363 nan 8.380 nan 0.000 0.510 217 V N 0.577 120.496 119.914 0.008 0.000 2.668 217 V HA 0.420 4.549 4.120 0.015 0.000 0.304 217 V C -0.451 175.731 176.094 0.147 0.000 1.071 217 V CA -0.922 61.276 62.300 -0.169 0.000 0.894 217 V CB 1.800 33.503 31.823 -0.199 0.000 1.008 217 V HN 0.515 nan 8.190 nan 0.000 0.425 218 V N 1.276 121.259 119.914 0.115 0.000 2.540 218 V HA 0.720 4.849 4.120 0.015 0.000 0.302 218 V C -0.549 175.652 176.094 0.178 0.000 1.035 218 V CA -0.647 61.782 62.300 0.215 0.000 0.873 218 V CB 1.788 33.687 31.823 0.126 0.000 0.992 218 V HN 0.742 nan 8.190 nan 0.000 0.428 219 Q N 1.986 121.900 119.800 0.190 0.000 2.199 219 Q HA 0.899 5.248 4.340 0.015 0.000 0.232 219 Q C 0.478 176.565 176.000 0.146 0.000 0.969 219 Q CA 0.557 56.457 55.803 0.161 0.000 0.925 219 Q CB 1.693 30.516 28.738 0.141 0.000 1.198 219 Q HN 1.595 nan 8.270 nan 0.000 0.494 220 G N -1.458 107.424 108.800 0.137 0.000 2.334 220 G HA2 0.321 4.290 3.960 0.015 0.000 0.315 220 G HA3 0.321 4.290 3.960 0.015 0.000 0.315 220 G C -0.566 174.411 174.900 0.129 0.000 1.284 220 G CA -0.302 44.871 45.100 0.122 0.000 0.985 220 G HN 0.773 nan 8.290 nan 0.000 0.504 221 G N -1.691 107.179 108.800 0.116 0.000 3.356 221 G HA2 0.759 4.728 3.960 0.015 0.000 0.178 221 G HA3 0.759 4.728 3.960 0.015 0.000 0.178 221 G C 1.614 176.581 174.900 0.111 0.000 1.130 221 G CA 1.516 46.689 45.100 0.122 0.000 0.800 221 G HN 1.955 nan 8.290 nan 0.000 0.669 222 A N 0.089 122.969 122.820 0.101 0.000 1.870 222 A HA -0.139 4.190 4.320 0.015 0.000 0.219 222 A C 2.136 179.765 177.584 0.075 0.000 1.224 222 A CA 2.633 54.719 52.037 0.083 0.000 0.650 222 A CB -0.895 18.147 19.000 0.071 0.000 0.836 222 A HN 0.491 nan 8.150 nan 0.000 0.454 223 E N -0.446 119.799 120.200 0.074 0.000 2.048 223 E HA -0.193 4.165 4.350 0.015 0.000 0.202 223 E C 2.171 178.819 176.600 0.080 0.000 1.021 223 E CA 1.934 58.378 56.400 0.073 0.000 0.825 223 E CB -1.414 28.326 29.700 0.067 0.000 0.756 223 E HN 0.670 nan 8.360 nan 0.000 0.454 224 T N 0.838 115.441 114.554 0.082 0.000 2.595 224 T HA -0.150 4.209 4.350 0.015 0.000 0.264 224 T C 1.978 176.727 174.700 0.081 0.000 1.058 224 T CA 1.840 63.989 62.100 0.083 0.000 1.166 224 T CB -0.939 67.986 68.868 0.094 0.000 0.863 224 T HN 0.453 nan 8.240 nan 0.000 0.415 225 G N 1.053 109.906 108.800 0.090 0.000 2.507 225 G HA2 -0.259 3.710 3.960 0.015 0.000 0.221 225 G HA3 -0.259 3.710 3.960 0.015 0.000 0.221 225 G C 1.874 176.796 174.900 0.036 0.000 1.119 225 G CA 1.400 46.549 45.100 0.083 0.000 0.751 225 G HN 0.512 nan 8.290 nan 0.000 0.574 226 S N 0.384 116.107 115.700 0.039 0.000 2.355 226 S HA -0.007 4.472 4.470 0.015 0.000 0.222 226 S C 2.312 176.950 174.600 0.063 0.000 1.031 226 S CA 0.937 59.147 58.200 0.016 0.000 0.993 226 S CB -0.295 62.969 63.200 0.108 0.000 0.859 226 S HN 0.349 nan 8.310 nan 0.000 0.453 227 L N 1.293 122.588 121.223 0.120 0.000 2.051 227 L HA -0.189 4.159 4.340 0.015 0.000 0.214 227 L C 2.277 179.219 176.870 0.121 0.000 1.076 227 L CA 1.157 56.082 54.840 0.142 0.000 0.758 227 L CB -0.762 41.359 42.059 0.102 0.000 0.890 227 L HN 0.299 nan 8.230 nan 0.000 0.433 228 L N -1.146 120.117 121.223 0.066 0.000 2.046 228 L HA -0.262 4.087 4.340 0.015 0.000 0.208 228 L C 2.678 179.565 176.870 0.028 0.000 1.077 228 L CA 1.301 56.169 54.840 0.047 0.000 0.747 228 L CB -0.661 41.422 42.059 0.040 0.000 0.896 228 L HN 0.415 nan 8.230 nan 0.000 0.432 229 C N -1.307 117.956 119.300 -0.062 0.000 2.432 229 C HA -0.112 4.357 4.460 0.015 0.000 0.280 229 C C 2.639 177.525 174.990 -0.174 0.000 1.353 229 C CA 0.237 59.160 59.018 -0.158 0.000 1.766 229 C CB -1.166 26.392 27.740 -0.303 0.000 1.924 229 C HN 0.499 nan 8.230 nan 0.000 0.509 230 H N -1.552 117.543 119.070 0.042 0.000 2.520 230 H HA 0.059 4.624 4.556 0.015 0.000 0.279 230 H C 0.732 176.077 175.328 0.028 0.000 0.990 230 H CA 0.432 56.493 56.048 0.022 0.000 1.288 230 H CB -0.644 29.119 29.762 0.002 0.000 1.446 230 H HN 0.572 nan 8.280 nan 0.000 0.538 231 H N 4.175 123.296 119.070 0.084 0.000 3.125 231 H HA -0.031 4.534 4.556 0.015 0.000 0.310 231 H C -1.188 174.151 175.328 0.017 0.000 0.980 231 H CA -0.973 55.096 56.048 0.034 0.000 1.422 231 H CB 1.098 30.860 29.762 0.000 0.000 1.432 231 H HN 0.109 nan 8.280 nan 0.000 0.577 232 P HA -0.115 nan 4.420 nan 0.000 0.234 232 P C -0.251 177.128 177.300 0.132 0.000 1.167 232 P CA 1.162 64.270 63.100 0.014 0.000 0.763 232 P CB 0.338 31.987 31.700 -0.086 0.000 0.835 233 N N -0.835 118.112 118.700 0.412 0.000 2.203 233 N HA 0.125 4.874 4.740 0.015 0.000 0.207 233 N C -0.441 175.100 175.510 0.052 0.000 1.130 233 N CA -0.314 52.860 53.050 0.206 0.000 0.861 233 N CB 0.835 39.454 38.487 0.219 0.000 1.005 233 N HN -0.064 nan 8.380 nan 0.000 0.507 234 V N 1.344 121.297 119.914 0.066 0.000 2.383 234 V HA 0.318 4.447 4.120 0.015 0.000 0.275 234 V C 0.814 176.887 176.094 -0.035 0.000 1.036 234 V CA -0.168 62.118 62.300 -0.024 0.000 0.889 234 V CB 1.223 33.043 31.823 -0.004 0.000 0.985 234 V HN 0.193 nan 8.190 nan 0.000 0.459 235 A N 4.948 127.709 122.820 -0.097 0.000 2.030 235 A HA 0.210 4.539 4.320 0.015 0.000 0.215 235 A C 0.958 178.445 177.584 -0.162 0.000 1.164 235 A CA 0.675 52.620 52.037 -0.152 0.000 0.697 235 A CB 0.206 19.069 19.000 -0.229 0.000 0.827 235 A HN 0.634 nan 8.150 nan 0.000 0.457 236 K N -0.384 119.957 120.400 -0.097 0.000 2.502 236 K HA 0.573 4.902 4.320 0.015 0.000 0.257 236 K C -2.098 174.509 176.600 0.012 0.000 0.938 236 K CA -0.460 55.801 56.287 -0.043 0.000 0.819 236 K CB 2.341 34.786 32.500 -0.091 0.000 1.333 236 K HN -0.059 nan 8.250 nan 0.000 0.434 237 V N 1.854 121.793 119.914 0.042 0.000 2.495 237 V HA 0.374 4.503 4.120 0.015 0.000 0.298 237 V C -0.609 175.541 176.094 0.092 0.000 1.031 237 V CA -0.715 61.627 62.300 0.070 0.000 0.871 237 V CB 1.586 33.442 31.823 0.055 0.000 0.988 237 V HN 0.766 nan 8.190 nan 0.000 0.432 238 S N 5.014 120.792 115.700 0.129 0.000 2.667 238 S HA 0.602 5.081 4.470 0.015 0.000 0.304 238 S C -1.084 173.613 174.600 0.162 0.000 1.135 238 S CA -0.410 57.870 58.200 0.133 0.000 1.125 238 S CB 0.136 63.448 63.200 0.187 0.000 0.996 238 S HN 0.530 nan 8.310 nan 0.000 0.474 239 F N 3.974 123.915 119.950 -0.015 0.000 2.422 239 F HA 0.691 5.226 4.527 0.014 0.000 0.333 239 F C -0.074 175.695 175.800 -0.051 0.000 1.095 239 F CA -0.151 57.831 58.000 -0.029 0.000 1.038 239 F CB 1.878 40.848 39.000 -0.050 0.000 1.156 239 F HN 0.357 nan 8.300 nan 0.000 0.483 240 T N 4.311 118.161 114.554 -1.174 0.000 2.949 240 T HA 0.725 5.084 4.350 0.015 0.000 0.300 240 T C -0.296 173.661 174.700 -1.237 0.000 0.988 240 T CA -0.276 61.280 62.100 -0.908 0.000 0.993 240 T CB 1.054 69.677 68.868 -0.407 0.000 0.984 240 T HN 1.106 nan 8.240 nan 0.000 0.442 241 G N 1.843 110.102 108.800 -0.901 0.000 2.356 241 G HA2 0.476 4.445 3.960 0.015 0.000 0.281 241 G HA3 0.476 4.445 3.960 0.015 0.000 0.281 241 G C -0.534 174.307 174.900 -0.099 0.000 1.246 241 G CA -0.221 44.599 45.100 -0.466 0.000 0.889 241 G HN 0.927 nan 8.290 nan 0.000 0.486 242 S N -0.566 115.171 115.700 0.061 0.000 2.584 242 S HA 0.382 4.861 4.470 0.015 0.000 0.270 242 S C 1.554 176.256 174.600 0.169 0.000 1.346 242 S CA 0.260 58.505 58.200 0.075 0.000 1.018 242 S CB 1.460 64.698 63.200 0.064 0.000 0.899 242 S HN 1.201 nan 8.310 nan 0.000 0.542 243 V N 2.471 122.463 119.914 0.130 0.000 2.261 243 V HA -0.074 4.055 4.120 0.015 0.000 0.246 243 V C -0.541 175.577 176.094 0.040 0.000 1.047 243 V CA 1.792 64.145 62.300 0.089 0.000 1.015 243 V CB -2.122 29.736 31.823 0.058 0.000 0.642 243 V HN 0.721 nan 8.190 nan 0.000 0.446 244 P HA -0.165 nan 4.420 nan 0.000 0.216 244 P C 1.793 179.079 177.300 -0.023 0.000 1.157 244 P CA 2.125 65.233 63.100 0.012 0.000 0.880 244 P CB -0.200 31.522 31.700 0.036 0.000 0.791 245 T N -1.490 113.059 114.554 -0.007 0.000 2.770 245 T HA -0.056 4.303 4.350 0.015 0.000 0.263 245 T C 2.051 176.522 174.700 -0.381 0.000 1.039 245 T CA 1.530 63.554 62.100 -0.127 0.000 1.142 245 T CB -1.439 67.429 68.868 0.001 0.000 0.868 245 T HN 0.163 nan 8.240 nan 0.000 0.435 246 G N 2.121 110.751 108.800 -0.283 0.000 2.505 246 G HA2 -0.313 3.656 3.960 0.015 0.000 0.220 246 G HA3 -0.313 3.656 3.960 0.015 0.000 0.220 246 G C 1.591 176.325 174.900 -0.276 0.000 1.145 246 G CA 1.067 45.954 45.100 -0.354 0.000 0.761 246 G HN 0.443 nan 8.290 nan 0.000 0.571 247 K N 0.290 120.596 120.400 -0.157 0.000 2.057 247 K HA -0.068 4.260 4.320 0.015 0.000 0.207 247 K C 2.631 179.156 176.600 -0.124 0.000 1.049 247 K CA 1.358 57.580 56.287 -0.109 0.000 0.931 247 K CB -0.154 32.307 32.500 -0.065 0.000 0.714 247 K HN 0.261 nan 8.250 nan 0.000 0.440 248 K N 0.541 120.850 120.400 -0.152 0.000 2.025 248 K HA -0.089 4.240 4.320 0.015 0.000 0.207 248 K C 2.118 178.611 176.600 -0.179 0.000 1.049 248 K CA 1.120 57.327 56.287 -0.133 0.000 0.933 248 K CB -0.180 32.250 32.500 -0.117 0.000 0.714 248 K HN -0.079 nan 8.250 nan 0.000 0.438 249 V N 1.980 121.711 119.914 -0.305 0.000 2.324 249 V HA -0.307 3.822 4.120 0.015 0.000 0.250 249 V C 2.379 178.358 176.094 -0.192 0.000 1.060 249 V CA 1.863 63.971 62.300 -0.319 0.000 1.042 249 V CB -0.371 31.117 31.823 -0.559 0.000 0.650 249 V HN 0.408 nan 8.190 nan 0.000 0.450 250 M N -0.554 118.953 119.600 -0.155 0.000 2.159 250 M HA -0.202 4.287 4.480 0.015 0.000 0.263 250 M C 2.179 178.459 176.300 -0.034 0.000 1.063 250 M CA 1.833 57.101 55.300 -0.054 0.000 1.110 250 M CB -0.156 32.439 32.600 -0.008 0.000 1.374 250 M HN 0.411 nan 8.290 nan 0.000 0.411 251 E N -0.009 120.162 120.200 -0.049 0.000 2.072 251 E HA -0.197 4.162 4.350 0.015 0.000 0.191 251 E C 1.958 178.550 176.600 -0.012 0.000 0.985 251 E CA 1.662 58.050 56.400 -0.021 0.000 0.801 251 E CB -0.182 29.507 29.700 -0.018 0.000 0.750 251 E HN 0.610 nan 8.360 nan 0.000 0.452 252 M N 0.472 120.041 119.600 -0.053 0.000 2.175 252 M HA -0.110 4.379 4.480 0.015 0.000 0.264 252 M C 2.383 178.638 176.300 -0.076 0.000 1.063 252 M CA 0.975 56.230 55.300 -0.074 0.000 1.119 252 M CB -0.045 32.363 32.600 -0.320 0.000 1.377 252 M HN -0.066 nan 8.290 nan 0.000 0.415 253 S N 0.787 116.440 115.700 -0.078 0.000 2.419 253 S HA -0.075 4.404 4.470 0.015 0.000 0.233 253 S C 2.062 176.669 174.600 0.012 0.000 1.016 253 S CA 1.166 59.347 58.200 -0.031 0.000 0.974 253 S CB -0.352 62.841 63.200 -0.011 0.000 0.786 253 S HN 0.558 nan 8.310 nan 0.000 0.492 254 A N 1.936 124.765 122.820 0.015 0.000 1.969 254 A HA -0.094 4.235 4.320 0.015 0.000 0.218 254 A C 1.936 179.539 177.584 0.032 0.000 1.169 254 A CA 1.183 53.235 52.037 0.025 0.000 0.635 254 A CB -0.388 18.623 19.000 0.019 0.000 0.810 254 A HN 0.459 nan 8.150 nan 0.000 0.445 255 K N -0.930 119.499 120.400 0.048 0.000 2.360 255 K HA -0.079 4.250 4.320 0.015 0.000 0.201 255 K C 0.797 177.425 176.600 0.047 0.000 1.046 255 K CA 1.494 57.814 56.287 0.056 0.000 0.940 255 K CB -0.128 32.431 32.500 0.097 0.000 0.748 255 K HN 0.418 nan 8.250 nan 0.000 0.465 256 T N -0.533 114.048 114.554 0.045 0.000 3.058 256 T HA 0.086 4.445 4.350 0.015 0.000 0.278 256 T C 0.074 174.796 174.700 0.037 0.000 0.974 256 T CA -0.095 62.028 62.100 0.038 0.000 0.893 256 T CB 0.794 69.688 68.868 0.043 0.000 1.138 256 T HN -0.102 nan 8.240 nan 0.000 0.529 257 V N 1.470 121.408 119.914 0.040 0.000 5.297 257 V HA -0.212 3.917 4.120 0.015 0.000 0.298 257 V C 0.463 176.609 176.094 0.087 0.000 0.408 257 V CA 0.582 62.911 62.300 0.049 0.000 0.733 257 V CB -2.043 29.805 31.823 0.041 0.000 0.584 257 V HN 0.489 nan 8.190 nan 0.000 1.394 258 K N 0.503 120.949 120.400 0.078 0.000 2.355 258 K HA 0.299 4.628 4.320 0.015 0.000 0.270 258 K C 0.614 177.326 176.600 0.187 0.000 1.003 258 K CA -0.410 55.937 56.287 0.100 0.000 0.957 258 K CB 0.402 32.932 32.500 0.051 0.000 0.939 258 K HN 0.606 nan 8.250 nan 0.000 0.482 259 H N 0.558 119.625 119.070 -0.006 0.000 2.732 259 H HA 0.176 4.740 4.556 0.014 0.000 0.351 259 H C -0.328 175.014 175.328 0.023 0.000 1.090 259 H CA -0.665 55.383 56.048 -0.000 0.000 1.431 259 H CB 0.883 30.627 29.762 -0.030 0.000 1.447 259 H HN 0.097 nan 8.280 nan 0.000 0.582 260 V N 2.178 122.199 119.914 0.179 0.000 2.925 260 V HA 0.330 4.459 4.120 0.015 0.000 0.311 260 V C -0.229 176.025 176.094 0.266 0.000 1.104 260 V CA -0.822 61.589 62.300 0.183 0.000 0.954 260 V CB 2.319 34.252 31.823 0.184 0.000 1.022 260 V HN 0.995 nan 8.190 nan 0.000 0.427 261 T N 1.514 116.157 114.554 0.149 0.000 2.971 261 T HA 0.796 5.155 4.350 0.015 0.000 0.304 261 T C -1.257 173.396 174.700 -0.078 0.000 1.038 261 T CA -0.608 61.533 62.100 0.068 0.000 1.007 261 T CB 1.362 70.195 68.868 -0.058 0.000 1.055 261 T HN 0.427 nan 8.240 nan 0.000 0.451 262 L N 2.478 123.507 121.223 -0.323 0.000 2.376 262 L HA 0.528 4.877 4.340 0.015 0.000 0.275 262 L C -0.221 176.497 176.870 -0.253 0.000 0.987 262 L CA -0.831 53.870 54.840 -0.233 0.000 0.828 262 L CB 2.059 43.916 42.059 -0.337 0.000 1.249 262 L HN 0.680 nan 8.230 nan 0.000 0.409 263 E N 4.284 124.373 120.200 -0.183 0.000 2.261 263 E HA 0.285 4.644 4.350 0.015 0.000 0.239 263 E C -0.327 176.182 176.600 -0.152 0.000 0.991 263 E CA -0.579 55.692 56.400 -0.216 0.000 0.847 263 E CB 1.369 30.933 29.700 -0.226 0.000 1.223 263 E HN 0.321 nan 8.360 nan 0.000 0.446 264 L N 0.350 121.526 121.223 -0.079 0.000 2.671 264 L HA 0.305 4.654 4.340 0.015 0.000 0.188 264 L C 1.634 178.518 176.870 0.023 0.000 1.165 264 L CA 0.186 55.029 54.840 0.006 0.000 0.926 264 L CB -0.612 41.485 42.059 0.064 0.000 1.664 264 L HN 0.392 nan 8.230 nan 0.000 0.512 265 G N -2.097 106.762 108.800 0.097 0.000 2.582 265 G HA2 0.573 4.542 3.960 0.015 0.000 0.232 265 G HA3 0.573 4.542 3.960 0.015 0.000 0.232 265 G C -0.562 174.349 174.900 0.018 0.000 1.458 265 G CA 0.077 45.204 45.100 0.045 0.000 1.062 265 G HN 0.930 nan 8.290 nan 0.000 0.566 266 G N -2.066 106.478 108.800 -0.425 0.000 2.387 266 G HA2 0.464 4.433 3.960 0.015 0.000 0.294 266 G HA3 0.464 4.433 3.960 0.015 0.000 0.294 266 G C -1.556 172.743 174.900 -1.002 0.000 1.509 266 G CA -0.390 44.208 45.100 -0.837 0.000 0.806 266 G HN 0.677 nan 8.290 nan 0.000 0.546 267 K N 0.716 120.624 120.400 -0.820 0.000 3.146 267 K HA 0.527 4.856 4.320 0.015 0.000 0.168 267 K C -0.048 176.519 176.600 -0.055 0.000 1.075 267 K CA -0.404 55.679 56.287 -0.340 0.000 0.843 267 K CB 0.179 32.558 32.500 -0.202 0.000 1.002 267 K HN 0.435 nan 8.250 nan 0.000 0.597 268 S N 3.668 119.360 115.700 -0.015 0.000 2.549 268 S HA 0.296 4.775 4.470 0.015 0.000 0.279 268 S C -2.394 172.293 174.600 0.145 0.000 1.321 268 S CA -0.755 57.501 58.200 0.093 0.000 1.054 268 S CB 0.603 63.890 63.200 0.145 0.000 0.899 268 S HN 0.472 nan 8.310 nan 0.000 0.497 269 P HA 0.357 nan 4.420 nan 0.000 0.294 269 P C -1.282 176.161 177.300 0.238 0.000 1.294 269 P CA -0.729 62.513 63.100 0.237 0.000 0.827 269 P CB 1.085 32.878 31.700 0.154 0.000 0.992 270 L N 4.938 126.318 121.223 0.262 0.000 2.305 270 L HA 0.412 4.761 4.340 0.015 0.000 0.284 270 L C -0.933 176.073 176.870 0.227 0.000 1.013 270 L CA -0.679 54.313 54.840 0.253 0.000 0.819 270 L CB 0.694 42.844 42.059 0.153 0.000 1.227 270 L HN 0.242 nan 8.230 nan 0.000 0.417 271 L N 6.349 127.683 121.223 0.186 0.000 2.287 271 L HA 0.518 4.866 4.340 0.015 0.000 0.287 271 L C -0.726 176.234 176.870 0.151 0.000 1.022 271 L CA -0.674 54.207 54.840 0.069 0.000 0.814 271 L CB 1.552 43.572 42.059 -0.065 0.000 1.217 271 L HN 0.431 nan 8.230 nan 0.000 0.420 272 I N 3.454 124.064 120.570 0.066 0.000 2.354 272 I HA 0.367 4.546 4.170 0.015 0.000 0.286 272 I C -0.195 175.936 176.117 0.024 0.000 1.007 272 I CA -0.311 61.018 61.300 0.049 0.000 1.167 272 I CB 0.947 38.794 38.000 -0.255 0.000 1.320 272 I HN 0.342 nan 8.210 nan 0.000 0.458 273 F N 4.977 125.040 119.950 0.188 0.000 2.377 273 F HA 0.289 4.824 4.527 0.015 0.000 0.328 273 F C 1.830 177.657 175.800 0.046 0.000 1.094 273 F CA -0.652 57.446 58.000 0.164 0.000 1.093 273 F CB 1.262 40.362 39.000 0.167 0.000 1.214 273 F HN 0.444 nan 8.300 nan 0.000 0.518 274 K N -0.132 120.369 120.400 0.169 0.000 2.360 274 K HA -0.172 4.157 4.320 0.015 0.000 0.201 274 K C 0.523 177.181 176.600 0.096 0.000 1.046 274 K CA 1.781 58.111 56.287 0.072 0.000 0.940 274 K CB -0.370 32.144 32.500 0.024 0.000 0.748 274 K HN 0.661 nan 8.250 nan 0.000 0.465 275 D N 1.549 122.034 120.400 0.141 0.000 2.325 275 D HA -0.040 4.609 4.640 0.015 0.000 0.225 275 D C 1.181 177.545 176.300 0.107 0.000 1.096 275 D CA -0.206 53.853 54.000 0.099 0.000 0.844 275 D CB -0.722 40.121 40.800 0.073 0.000 0.925 275 D HN 0.442 nan 8.370 nan 0.000 0.513 276 C N 0.133 119.517 119.300 0.141 0.000 2.820 276 C HA 0.485 4.954 4.460 0.015 0.000 0.287 276 C C 0.424 175.483 174.990 0.115 0.000 1.664 276 C CA -0.855 58.258 59.018 0.158 0.000 2.071 276 C CB -0.050 27.814 27.740 0.205 0.000 2.008 276 C HN 0.233 nan 8.230 nan 0.000 0.619 277 E N 0.447 120.723 120.200 0.126 0.000 2.256 277 E HA 0.286 4.645 4.350 0.015 0.000 0.243 277 E C 0.697 177.337 176.600 0.066 0.000 0.925 277 E CA -0.264 56.191 56.400 0.091 0.000 0.748 277 E CB 1.160 30.919 29.700 0.099 0.000 1.206 277 E HN 0.593 nan 8.360 nan 0.000 0.428 278 L N 1.667 122.925 121.223 0.058 0.000 2.095 278 L HA -0.370 3.979 4.340 0.015 0.000 0.229 278 L C 2.452 179.344 176.870 0.037 0.000 1.097 278 L CA 1.818 56.697 54.840 0.065 0.000 0.813 278 L CB -0.197 41.910 42.059 0.078 0.000 0.907 278 L HN 0.534 nan 8.230 nan 0.000 0.445 279 E N 0.384 120.600 120.200 0.027 0.000 2.033 279 E HA -0.240 4.119 4.350 0.015 0.000 0.199 279 E C 1.847 178.444 176.600 -0.006 0.000 1.011 279 E CA 1.930 58.336 56.400 0.011 0.000 0.815 279 E CB -0.254 29.457 29.700 0.019 0.000 0.755 279 E HN 0.397 nan 8.360 nan 0.000 0.451 280 N N 0.028 118.740 118.700 0.020 0.000 2.149 280 N HA -0.157 4.592 4.740 0.015 0.000 0.188 280 N C 1.630 177.023 175.510 -0.195 0.000 1.019 280 N CA 1.498 54.577 53.050 0.048 0.000 0.857 280 N CB -0.466 38.141 38.487 0.199 0.000 0.997 280 N HN 0.314 nan 8.380 nan 0.000 0.426 281 A N 0.815 123.413 122.820 -0.371 0.000 1.933 281 A HA -0.066 4.263 4.320 0.015 0.000 0.218 281 A C 2.558 179.916 177.584 -0.376 0.000 1.175 281 A CA 1.148 52.665 52.037 -0.867 0.000 0.628 281 A CB -0.689 18.050 19.000 -0.436 0.000 0.814 281 A HN 0.103 nan 8.150 nan 0.000 0.444 282 V N 0.188 120.069 119.914 -0.054 0.000 2.295 282 V HA -0.281 3.848 4.120 0.015 0.000 0.246 282 V C 2.642 178.701 176.094 -0.060 0.000 1.049 282 V CA 2.236 64.550 62.300 0.024 0.000 1.024 282 V CB -0.840 30.953 31.823 -0.049 0.000 0.648 282 V HN 0.538 nan 8.190 nan 0.000 0.447 283 R N 0.157 120.612 120.500 -0.075 0.000 2.083 283 R HA -0.136 4.212 4.340 0.015 0.000 0.237 283 R C 2.481 178.753 176.300 -0.047 0.000 1.137 283 R CA 1.586 57.662 56.100 -0.039 0.000 0.951 283 R CB -1.033 29.268 30.300 0.001 0.000 0.851 283 R HN 0.594 nan 8.270 nan 0.000 0.434 284 G N 1.171 109.915 108.800 -0.093 0.000 2.545 284 G HA2 -0.334 3.635 3.960 0.015 0.000 0.217 284 G HA3 -0.334 3.635 3.960 0.015 0.000 0.217 284 G C 1.615 176.446 174.900 -0.116 0.000 1.218 284 G CA 1.141 46.257 45.100 0.028 0.000 0.787 284 G HN 0.436 nan 8.290 nan 0.000 0.571 285 A N -0.013 122.718 122.820 -0.149 0.000 1.927 285 A HA -0.070 4.259 4.320 0.015 0.000 0.220 285 A C 2.417 179.868 177.584 -0.222 0.000 1.185 285 A CA 1.940 53.900 52.037 -0.128 0.000 0.639 285 A CB -0.482 18.588 19.000 0.117 0.000 0.820 285 A HN 0.350 nan 8.150 nan 0.000 0.451 286 L N -1.093 120.050 121.223 -0.135 0.000 1.973 286 L HA -0.105 4.244 4.340 0.015 0.000 0.208 286 L C 2.656 179.430 176.870 -0.160 0.000 1.073 286 L CA 1.907 56.692 54.840 -0.090 0.000 0.746 286 L CB -0.709 41.360 42.059 0.016 0.000 0.891 286 L HN 0.321 nan 8.230 nan 0.000 0.433 287 M N -1.092 118.439 119.600 -0.115 0.000 2.267 287 M HA -0.130 4.358 4.480 0.015 0.000 0.263 287 M C 2.029 178.203 176.300 -0.210 0.000 1.063 287 M CA 1.565 56.800 55.300 -0.108 0.000 1.090 287 M CB -1.324 31.245 32.600 -0.051 0.000 1.392 287 M HN 0.355 nan 8.290 nan 0.000 0.422 288 A N -0.568 122.015 122.820 -0.396 0.000 2.238 288 A HA -0.013 4.316 4.320 0.015 0.000 0.208 288 A C 1.745 178.999 177.584 -0.550 0.000 1.177 288 A CA 0.828 52.437 52.037 -0.713 0.000 0.804 288 A CB -0.324 17.864 19.000 -1.353 0.000 0.823 288 A HN 0.515 nan 8.150 nan 0.000 0.482 289 N N -2.111 116.239 118.700 -0.584 0.000 2.272 289 N HA 0.150 4.899 4.740 0.015 0.000 0.228 289 N C -0.504 174.520 175.510 -0.811 0.000 1.206 289 N CA 0.414 52.970 53.050 -0.822 0.000 0.855 289 N CB 0.631 38.327 38.487 -1.319 0.000 1.248 289 N HN 0.369 nan 8.380 nan 0.000 0.476 290 F N 1.263 121.151 119.950 -0.103 0.000 2.764 290 F HA 0.453 4.989 4.527 0.016 0.000 0.310 290 F C 0.349 176.102 175.800 -0.079 0.000 1.124 290 F CA -0.387 57.561 58.000 -0.088 0.000 1.252 290 F CB -0.086 38.871 39.000 -0.073 0.000 1.010 290 F HN -0.250 nan 8.300 nan 0.000 0.518 291 L N 0.174 121.415 121.223 0.030 0.000 2.395 291 L HA 0.272 4.621 4.340 0.015 0.000 0.269 291 L C 1.013 177.870 176.870 -0.022 0.000 1.133 291 L CA -0.198 54.650 54.840 0.012 0.000 0.812 291 L CB 0.453 42.515 42.059 0.004 0.000 1.125 291 L HN 0.188 nan 8.230 nan 0.000 0.452 292 T N 2.498 117.023 114.554 -0.048 0.000 3.549 292 T HA -0.211 4.148 4.350 0.015 0.000 0.398 292 T C 0.566 175.217 174.700 -0.082 0.000 0.766 292 T CA 0.738 62.771 62.100 -0.111 0.000 2.007 292 T CB -1.107 67.603 68.868 -0.262 0.000 1.727 292 T HN 0.783 nan 8.240 nan 0.000 0.693 293 Q N -1.931 117.851 119.800 -0.031 0.000 2.450 293 Q HA -0.212 4.137 4.340 0.015 0.000 0.255 293 Q C 1.352 177.340 176.000 -0.020 0.000 1.003 293 Q CA 2.312 58.106 55.803 -0.013 0.000 1.097 293 Q CB -1.983 26.736 28.738 -0.032 0.000 1.544 293 Q HN 1.730 nan 8.270 nan 0.000 0.531 294 G N -0.799 107.984 108.800 -0.029 0.000 2.168 294 G HA2 -0.383 3.586 3.960 0.015 0.000 0.257 294 G HA3 -0.383 3.586 3.960 0.015 0.000 0.257 294 G C 0.182 174.885 174.900 -0.329 0.000 0.997 294 G CA 0.505 45.546 45.100 -0.098 0.000 0.708 294 G HN 0.509 nan 8.290 nan 0.000 0.520 295 Q N -0.282 119.263 119.800 -0.424 0.000 2.399 295 Q HA 0.438 4.787 4.340 0.015 0.000 0.307 295 Q C -0.023 175.354 176.000 -1.038 0.000 0.933 295 Q CA -0.161 55.043 55.803 -0.998 0.000 0.995 295 Q CB 1.155 29.679 28.738 -0.356 0.000 1.191 295 Q HN 0.329 nan 8.270 nan 0.000 0.426 296 V N 0.894 120.452 119.914 -0.592 0.000 2.384 296 V HA 0.009 4.138 4.120 0.015 0.000 0.287 296 V C 1.383 177.520 176.094 0.071 0.000 1.020 296 V CA -0.727 61.506 62.300 -0.112 0.000 0.850 296 V CB 1.091 32.922 31.823 0.014 0.000 0.987 296 V HN 0.688 nan 8.190 nan 0.000 0.436 297 C N 1.639 121.136 119.300 0.329 0.000 2.411 297 C HA -0.117 4.352 4.460 0.015 0.000 0.279 297 C C 2.313 177.407 174.990 0.174 0.000 1.288 297 C CA 1.178 60.388 59.018 0.320 0.000 1.764 297 C CB -1.742 26.129 27.740 0.218 0.000 1.974 297 C HN 0.922 nan 8.230 nan 0.000 0.498 298 T N -1.807 112.842 114.554 0.158 0.000 3.169 298 T HA 0.107 4.466 4.350 0.015 0.000 0.250 298 T C 0.231 175.087 174.700 0.259 0.000 1.111 298 T CA -0.159 62.053 62.100 0.186 0.000 1.010 298 T CB -1.194 67.761 68.868 0.146 0.000 0.984 298 T HN 0.707 nan 8.240 nan 0.000 0.537 299 N N 1.316 120.098 118.700 0.137 0.000 2.483 299 N HA 0.315 5.064 4.740 0.015 0.000 0.264 299 N C 0.581 176.101 175.510 0.017 0.000 1.197 299 N CA -0.378 52.692 53.050 0.033 0.000 0.927 299 N CB 0.486 38.910 38.487 -0.105 0.000 1.065 299 N HN 0.434 nan 8.380 nan 0.000 0.461 300 G N 0.900 109.610 108.800 -0.149 0.000 3.213 300 G HA2 -0.028 3.941 3.960 0.015 0.000 0.263 300 G HA3 -0.028 3.941 3.960 0.015 0.000 0.263 300 G C 1.176 175.989 174.900 -0.145 0.000 0.829 300 G CA -0.461 44.586 45.100 -0.089 0.000 1.983 300 G HN 0.672 nan 8.290 nan 0.000 0.616 301 T N -1.917 112.576 114.554 -0.102 0.000 3.155 301 T HA 0.015 4.374 4.350 0.015 0.000 0.264 301 T C 1.202 175.859 174.700 -0.071 0.000 1.160 301 T CA 0.195 62.227 62.100 -0.114 0.000 1.075 301 T CB 0.172 68.982 68.868 -0.096 0.000 0.921 301 T HN 0.335 nan 8.240 nan 0.000 0.533 302 R N 1.168 121.654 120.500 -0.023 0.000 2.494 302 R HA 0.485 4.833 4.340 0.015 0.000 0.284 302 R C -1.510 174.781 176.300 -0.016 0.000 1.525 302 R CA -0.439 55.644 56.100 -0.028 0.000 1.460 302 R CB 0.791 31.152 30.300 0.103 0.000 1.134 302 R HN 0.153 nan 8.270 nan 0.000 0.592 303 V N 5.219 125.065 119.914 -0.113 0.000 2.408 303 V HA 0.297 4.426 4.120 0.015 0.000 0.267 303 V C -0.313 175.688 176.094 -0.155 0.000 1.047 303 V CA -0.193 62.077 62.300 -0.050 0.000 0.937 303 V CB 0.381 32.187 31.823 -0.027 0.000 0.999 303 V HN 0.437 nan 8.190 nan 0.000 0.472 304 F N 4.164 124.103 119.950 -0.018 0.000 2.385 304 F HA 0.546 5.083 4.527 0.015 0.000 0.360 304 F C 0.192 176.046 175.800 0.089 0.000 1.122 304 F CA -0.628 57.399 58.000 0.045 0.000 1.090 304 F CB 1.510 40.472 39.000 -0.063 0.000 1.150 304 F HN 0.191 nan 8.300 nan 0.000 0.472 305 V N 3.435 123.444 119.914 0.159 0.000 2.459 305 V HA 0.286 4.415 4.120 0.015 0.000 0.295 305 V C -0.073 175.848 176.094 -0.288 0.000 1.029 305 V CA -1.150 61.091 62.300 -0.099 0.000 0.874 305 V CB 1.555 33.206 31.823 -0.286 0.000 0.985 305 V HN 0.684 nan 8.190 nan 0.000 0.438 306 Q N 3.644 123.046 119.800 -0.663 0.000 2.255 306 Q HA 0.099 4.448 4.340 0.015 0.000 0.280 306 Q C 1.497 177.175 176.000 -0.537 0.000 1.068 306 Q CA 0.190 55.268 55.803 -1.208 0.000 0.911 306 Q CB 0.445 28.632 28.738 -0.918 0.000 1.157 306 Q HN 0.643 nan 8.270 nan 0.000 0.380 307 R N 3.088 123.316 120.500 -0.453 0.000 2.190 307 R HA -0.347 4.002 4.340 0.015 0.000 0.255 307 R C 1.091 177.310 176.300 -0.135 0.000 1.143 307 R CA 2.648 58.621 56.100 -0.212 0.000 0.965 307 R CB 0.069 30.275 30.300 -0.155 0.000 0.889 307 R HN 0.772 nan 8.270 nan 0.000 0.448 308 E N 0.139 120.260 120.200 -0.132 0.000 2.097 308 E HA -0.208 4.151 4.350 0.015 0.000 0.196 308 E C 1.815 178.387 176.600 -0.046 0.000 1.000 308 E CA 1.899 58.256 56.400 -0.070 0.000 0.804 308 E CB -0.289 29.378 29.700 -0.054 0.000 0.740 308 E HN 0.731 nan 8.360 nan 0.000 0.454 309 I N -2.554 117.981 120.570 -0.059 0.000 3.883 309 I HA 0.193 4.372 4.170 0.015 0.000 0.326 309 I C 1.828 177.968 176.117 0.038 0.000 1.283 309 I CA -0.057 61.239 61.300 -0.007 0.000 1.161 309 I CB -0.002 37.994 38.000 -0.006 0.000 1.012 309 I HN -0.004 nan 8.210 nan 0.000 0.421 310 M N 2.896 122.496 119.600 0.000 0.000 2.113 310 M HA -0.129 4.360 4.480 0.015 0.000 0.255 310 M C -0.947 175.417 176.300 0.105 0.000 1.073 310 M CA 2.781 58.115 55.300 0.056 0.000 1.091 310 M CB -1.386 31.216 32.600 0.004 0.000 1.309 310 M HN 0.126 nan 8.290 nan 0.000 0.407 311 P HA -0.200 nan 4.420 nan 0.000 0.208 311 P C 1.294 178.613 177.300 0.032 0.000 1.195 311 P CA 1.883 65.002 63.100 0.032 0.000 0.927 311 P CB -0.581 31.128 31.700 0.014 0.000 0.778 312 Q N -0.677 119.146 119.800 0.038 0.000 2.197 312 Q HA -0.223 4.126 4.340 0.015 0.000 0.207 312 Q C 2.165 178.186 176.000 0.034 0.000 0.984 312 Q CA 1.747 57.566 55.803 0.027 0.000 0.869 312 Q CB -1.800 26.958 28.738 0.033 0.000 0.906 312 Q HN 0.272 nan 8.270 nan 0.000 0.426 313 F N 1.716 121.642 119.950 -0.039 0.000 2.039 313 F HA -0.138 4.398 4.527 0.015 0.000 0.294 313 F C 2.068 177.842 175.800 -0.044 0.000 1.130 313 F CA 1.064 59.035 58.000 -0.048 0.000 1.189 313 F CB -0.551 38.416 39.000 -0.055 0.000 0.983 313 F HN 0.097 nan 8.300 nan 0.000 0.471 314 L N 1.080 122.216 121.223 -0.145 0.000 2.189 314 L HA -0.201 4.148 4.340 0.015 0.000 0.214 314 L C 2.329 179.070 176.870 -0.215 0.000 1.097 314 L CA 2.061 56.773 54.840 -0.213 0.000 0.764 314 L CB -1.105 40.953 42.059 -0.001 0.000 0.900 314 L HN 0.499 nan 8.230 nan 0.000 0.436 315 E N -0.786 119.322 120.200 -0.154 0.000 2.008 315 E HA -0.281 4.078 4.350 0.015 0.000 0.191 315 E C 2.027 178.535 176.600 -0.153 0.000 0.986 315 E CA 1.114 57.443 56.400 -0.119 0.000 0.807 315 E CB -0.126 29.531 29.700 -0.072 0.000 0.766 315 E HN 0.450 nan 8.360 nan 0.000 0.450 316 E N 0.305 120.400 120.200 -0.175 0.000 2.160 316 E HA -0.153 4.206 4.350 0.015 0.000 0.195 316 E C 1.886 178.354 176.600 -0.220 0.000 0.991 316 E CA 1.030 57.329 56.400 -0.169 0.000 0.810 316 E CB -0.271 29.342 29.700 -0.146 0.000 0.742 316 E HN 0.230 nan 8.360 nan 0.000 0.466 317 V N -0.845 118.849 119.914 -0.366 0.000 2.591 317 V HA -0.103 4.026 4.120 0.015 0.000 0.249 317 V C 2.002 177.978 176.094 -0.196 0.000 1.053 317 V CA 1.260 63.347 62.300 -0.355 0.000 1.068 317 V CB 0.102 31.521 31.823 -0.673 0.000 0.689 317 V HN 0.241 nan 8.190 nan 0.000 0.462 318 V N 0.336 120.143 119.914 -0.178 0.000 2.453 318 V HA -0.194 3.935 4.120 0.015 0.000 0.247 318 V C 2.403 178.439 176.094 -0.096 0.000 1.048 318 V CA 2.281 64.515 62.300 -0.110 0.000 1.049 318 V CB -0.665 31.102 31.823 -0.093 0.000 0.672 318 V HN 0.592 nan 8.190 nan 0.000 0.457 319 K N 0.214 120.554 120.400 -0.100 0.000 1.985 319 K HA -0.210 4.119 4.320 0.015 0.000 0.210 319 K C 2.461 179.013 176.600 -0.081 0.000 1.047 319 K CA 1.396 57.634 56.287 -0.082 0.000 0.932 319 K CB -0.145 32.308 32.500 -0.078 0.000 0.716 319 K HN 0.216 nan 8.250 nan 0.000 0.439 320 R N 0.237 120.687 120.500 -0.085 0.000 2.091 320 R HA -0.094 4.255 4.340 0.015 0.000 0.238 320 R C 2.303 178.559 176.300 -0.074 0.000 1.136 320 R CA 1.862 57.921 56.100 -0.069 0.000 0.959 320 R CB -1.138 29.124 30.300 -0.064 0.000 0.856 320 R HN 0.373 nan 8.270 nan 0.000 0.437 321 T N 1.407 115.910 114.554 -0.085 0.000 2.867 321 T HA -0.062 4.297 4.350 0.015 0.000 0.268 321 T C 1.698 176.286 174.700 -0.186 0.000 1.057 321 T CA 1.198 63.201 62.100 -0.161 0.000 1.136 321 T CB 0.023 68.800 68.868 -0.152 0.000 0.874 321 T HN 0.337 nan 8.240 nan 0.000 0.466 322 K N 1.348 121.671 120.400 -0.127 0.000 2.217 322 K HA 0.204 4.533 4.320 0.015 0.000 0.202 322 K C 2.245 178.787 176.600 -0.097 0.000 1.051 322 K CA 0.803 57.024 56.287 -0.110 0.000 0.952 322 K CB -0.032 32.418 32.500 -0.084 0.000 0.736 322 K HN 0.229 nan 8.250 nan 0.000 0.453 323 A N 1.331 124.099 122.820 -0.087 0.000 2.252 323 A HA 0.085 4.414 4.320 0.015 0.000 0.207 323 A C 0.684 178.225 177.584 -0.071 0.000 1.194 323 A CA 0.060 52.056 52.037 -0.069 0.000 0.809 323 A CB -0.483 18.484 19.000 -0.055 0.000 0.814 323 A HN 0.123 nan 8.150 nan 0.000 0.482 324 I N 0.997 121.508 120.570 -0.099 0.000 2.416 324 I HA 0.087 4.266 4.170 0.015 0.000 0.288 324 I C -0.366 175.705 176.117 -0.078 0.000 1.051 324 I CA -0.331 60.911 61.300 -0.096 0.000 1.375 324 I CB 1.572 39.474 38.000 -0.164 0.000 1.407 324 I HN -0.143 nan 8.210 nan 0.000 0.516 325 V N 8.057 127.941 119.914 -0.050 0.000 2.405 325 V HA 0.110 4.239 4.120 0.015 0.000 0.264 325 V C 0.266 176.347 176.094 -0.022 0.000 1.048 325 V CA -0.344 61.933 62.300 -0.039 0.000 0.966 325 V CB 0.960 32.767 31.823 -0.026 0.000 1.015 325 V HN 0.372 nan 8.190 nan 0.000 0.477 326 V N 5.381 125.280 119.914 -0.025 0.000 2.427 326 V HA 0.960 5.089 4.120 0.015 0.000 0.286 326 V C 0.751 176.837 176.094 -0.013 0.000 1.034 326 V CA 0.717 63.033 62.300 0.026 0.000 0.893 326 V CB 0.859 32.710 31.823 0.046 0.000 0.982 326 V HN 1.069 nan 8.190 nan 0.000 0.452 327 G N 3.443 112.288 108.800 0.076 0.000 2.539 327 G HA2 0.121 4.090 3.960 0.015 0.000 0.138 327 G HA3 0.121 4.090 3.960 0.015 0.000 0.138 327 G C -1.177 173.815 174.900 0.153 0.000 1.148 327 G CA -0.501 44.591 45.100 -0.013 0.000 1.057 327 G HN 0.510 nan 8.290 nan 0.000 0.511 328 D N 2.403 122.839 120.400 0.061 0.000 2.382 328 D HA 0.210 4.859 4.640 0.015 0.000 0.259 328 D C -0.683 175.660 176.300 0.072 0.000 1.224 328 D CA -1.296 52.753 54.000 0.082 0.000 0.894 328 D CB 1.720 42.537 40.800 0.029 0.000 1.127 328 D HN 0.040 nan 8.370 nan 0.000 0.487 329 P HA -0.156 nan 4.420 nan 0.000 0.220 329 P C 1.386 178.696 177.300 0.018 0.000 1.148 329 P CA 0.251 63.374 63.100 0.038 0.000 0.803 329 P CB 0.472 32.179 31.700 0.011 0.000 0.782 330 L N -1.427 119.804 121.223 0.014 0.000 2.627 330 L HA 0.158 4.507 4.340 0.015 0.000 0.233 330 L C 0.728 177.600 176.870 0.003 0.000 1.144 330 L CA 0.172 55.014 54.840 0.002 0.000 0.892 330 L CB -1.099 40.958 42.059 -0.003 0.000 1.039 330 L HN -0.111 nan 8.230 nan 0.000 0.442 331 L N -1.276 119.953 121.223 0.009 0.000 2.307 331 L HA 0.243 4.592 4.340 0.015 0.000 0.282 331 L C 1.768 178.644 176.870 0.009 0.000 1.051 331 L CA 0.394 55.238 54.840 0.006 0.000 0.804 331 L CB 1.474 43.536 42.059 0.006 0.000 1.197 331 L HN 0.254 nan 8.230 nan 0.000 0.431 332 T N -1.410 113.147 114.554 0.006 0.000 2.951 332 T HA -0.085 4.274 4.350 0.015 0.000 0.268 332 T C 1.076 175.785 174.700 0.015 0.000 1.073 332 T CA 1.045 63.152 62.100 0.011 0.000 1.134 332 T CB -0.128 68.745 68.868 0.008 0.000 0.884 332 T HN 0.646 nan 8.240 nan 0.000 0.479 333 E N 1.397 121.602 120.200 0.009 0.000 2.481 333 E HA 0.021 4.380 4.350 0.015 0.000 0.195 333 E C 0.100 176.704 176.600 0.007 0.000 1.047 333 E CA 0.142 56.546 56.400 0.007 0.000 0.867 333 E CB -0.733 28.966 29.700 -0.001 0.000 0.858 333 E HN 0.372 nan 8.360 nan 0.000 0.513 334 T N 1.982 116.543 114.554 0.011 0.000 2.919 334 T HA 0.202 4.561 4.350 0.015 0.000 0.302 334 T C 0.762 175.474 174.700 0.019 0.000 1.031 334 T CA -0.279 61.831 62.100 0.016 0.000 1.127 334 T CB 1.281 70.167 68.868 0.029 0.000 0.952 334 T HN 0.019 nan 8.240 nan 0.000 0.540 335 R N 1.342 121.850 120.500 0.014 0.000 2.476 335 R HA 0.360 4.709 4.340 0.015 0.000 0.276 335 R C -0.113 176.195 176.300 0.014 0.000 0.941 335 R CA 0.018 56.126 56.100 0.013 0.000 1.088 335 R CB 0.314 30.615 30.300 0.001 0.000 1.216 335 R HN 0.651 nan 8.270 nan 0.000 0.533 336 M N -0.545 119.068 119.600 0.022 0.000 2.333 336 M HA 0.409 4.897 4.480 0.015 0.000 0.286 336 M C -0.965 175.374 176.300 0.065 0.000 1.113 336 M CA -0.503 54.812 55.300 0.025 0.000 0.959 336 M CB 1.974 34.575 32.600 0.002 0.000 1.776 336 M HN 0.092 nan 8.290 nan 0.000 0.492 337 G N 1.864 110.677 108.800 0.020 0.000 2.641 337 G HA2 0.748 4.717 3.960 0.015 0.000 0.239 337 G HA3 0.748 4.717 3.960 0.015 0.000 0.239 337 G C -0.217 174.569 174.900 -0.190 0.000 1.402 337 G CA -0.394 44.698 45.100 -0.013 0.000 1.046 337 G HN 0.847 nan 8.290 nan 0.000 0.565 338 G N -1.412 107.058 108.800 -0.549 0.000 2.477 338 G HA2 0.510 4.479 3.960 0.015 0.000 0.304 338 G HA3 0.510 4.479 3.960 0.015 0.000 0.304 338 G C 0.180 174.895 174.900 -0.308 0.000 1.175 338 G CA -0.715 43.929 45.100 -0.760 0.000 0.907 338 G HN 0.518 nan 8.290 nan 0.000 0.509 339 L N 0.630 121.753 121.223 -0.166 0.000 2.470 339 L HA 0.146 4.495 4.340 0.015 0.000 0.243 339 L C 1.808 178.645 176.870 -0.055 0.000 1.227 339 L CA -0.936 53.860 54.840 -0.073 0.000 0.824 339 L CB 0.179 42.211 42.059 -0.045 0.000 1.175 339 L HN 0.329 nan 8.230 nan 0.000 0.503 340 I N -0.381 120.093 120.570 -0.160 0.000 2.315 340 I HA -0.111 4.068 4.170 0.015 0.000 0.248 340 I C 1.063 177.099 176.117 -0.135 0.000 1.117 340 I CA 1.222 62.360 61.300 -0.270 0.000 1.404 340 I CB -0.146 37.328 38.000 -0.877 0.000 1.071 340 I HN 0.833 nan 8.210 nan 0.000 0.419 341 S N -1.623 113.943 115.700 -0.223 0.000 2.625 341 S HA 0.310 4.789 4.470 0.015 0.000 0.271 341 S C 0.406 174.503 174.600 -0.837 0.000 1.161 341 S CA -0.701 57.239 58.200 -0.433 0.000 0.820 341 S CB 2.375 65.342 63.200 -0.388 0.000 1.137 341 S HN -0.048 nan 8.310 nan 0.000 0.470 342 K N 1.331 120.947 120.400 -1.307 0.000 2.009 342 K HA 0.130 4.459 4.320 0.015 0.000 0.210 342 K C -1.212 175.107 176.600 -0.469 0.000 1.049 342 K CA 1.864 57.567 56.287 -0.974 0.000 0.929 342 K CB -1.716 30.310 32.500 -0.791 0.000 0.714 342 K HN 0.465 nan 8.250 nan 0.000 0.440 343 P HA -0.189 nan 4.420 nan 0.000 0.216 343 P C 1.239 178.462 177.300 -0.128 0.000 1.154 343 P CA 1.407 64.391 63.100 -0.192 0.000 0.865 343 P CB 0.001 31.608 31.700 -0.155 0.000 0.789 344 Q N -1.053 118.650 119.800 -0.162 0.000 2.084 344 Q HA -0.159 4.190 4.340 0.015 0.000 0.202 344 Q C 2.116 178.093 176.000 -0.039 0.000 0.978 344 Q CA 1.203 56.966 55.803 -0.065 0.000 0.844 344 Q CB -1.164 27.506 28.738 -0.113 0.000 0.898 344 Q HN 0.202 nan 8.270 nan 0.000 0.426 345 L N 1.729 122.882 121.223 -0.115 0.000 2.012 345 L HA -0.193 4.156 4.340 0.015 0.000 0.210 345 L C 1.529 178.388 176.870 -0.018 0.000 1.073 345 L CA 2.027 56.828 54.840 -0.064 0.000 0.748 345 L CB -0.730 41.263 42.059 -0.109 0.000 0.891 345 L HN 0.093 nan 8.230 nan 0.000 0.431 346 D N -0.456 119.916 120.400 -0.047 0.000 2.144 346 D HA -0.222 4.427 4.640 0.015 0.000 0.199 346 D C 2.086 178.418 176.300 0.054 0.000 0.984 346 D CA 1.331 55.326 54.000 -0.009 0.000 0.834 346 D CB -0.075 40.700 40.800 -0.040 0.000 0.955 346 D HN 0.462 nan 8.370 nan 0.000 0.465 347 K N 0.956 121.407 120.400 0.084 0.000 2.025 347 K HA -0.094 4.235 4.320 0.015 0.000 0.207 347 K C 2.058 178.870 176.600 0.354 0.000 1.049 347 K CA 0.774 57.185 56.287 0.206 0.000 0.933 347 K CB 0.020 32.652 32.500 0.219 0.000 0.714 347 K HN -0.105 nan 8.250 nan 0.000 0.438 348 V N 1.955 121.999 119.914 0.218 0.000 2.343 348 V HA -0.256 3.873 4.120 0.015 0.000 0.247 348 V C 2.346 178.567 176.094 0.211 0.000 1.051 348 V CA 1.587 63.996 62.300 0.181 0.000 1.036 348 V CB -0.363 31.502 31.823 0.070 0.000 0.654 348 V HN 0.323 nan 8.190 nan 0.000 0.451 349 L N 0.276 121.585 121.223 0.142 0.000 2.027 349 L HA -0.064 4.285 4.340 0.015 0.000 0.206 349 L C 2.720 179.665 176.870 0.125 0.000 1.074 349 L CA 1.725 56.630 54.840 0.109 0.000 0.745 349 L CB -1.278 40.818 42.059 0.062 0.000 0.898 349 L HN 0.463 nan 8.230 nan 0.000 0.433 350 G N -0.228 108.644 108.800 0.121 0.000 2.469 350 G HA2 -0.302 3.667 3.960 0.015 0.000 0.220 350 G HA3 -0.302 3.667 3.960 0.015 0.000 0.220 350 G C 1.389 176.317 174.900 0.046 0.000 1.136 350 G CA 0.763 45.894 45.100 0.052 0.000 0.759 350 G HN 0.186 nan 8.290 nan 0.000 0.562 351 F N 0.443 120.413 119.950 0.034 0.000 2.102 351 F HA -0.062 4.474 4.527 0.015 0.000 0.298 351 F C 2.912 178.732 175.800 0.033 0.000 1.105 351 F CA 1.055 59.078 58.000 0.040 0.000 1.239 351 F CB -0.606 38.427 39.000 0.054 0.000 0.991 351 F HN -0.018 nan 8.300 nan 0.000 0.474 352 V N -0.011 120.042 119.914 0.232 0.000 2.332 352 V HA -0.342 3.787 4.120 0.015 0.000 0.248 352 V C 2.546 178.690 176.094 0.083 0.000 1.055 352 V CA 1.696 64.076 62.300 0.133 0.000 1.038 352 V CB -1.482 30.400 31.823 0.098 0.000 0.651 352 V HN 0.379 nan 8.190 nan 0.000 0.450 353 A N -0.717 122.142 122.820 0.066 0.000 1.851 353 A HA -0.338 3.991 4.320 0.015 0.000 0.216 353 A C 2.271 179.867 177.584 0.019 0.000 1.195 353 A CA 2.259 54.316 52.037 0.032 0.000 0.622 353 A CB -0.682 18.328 19.000 0.018 0.000 0.831 353 A HN 0.553 nan 8.150 nan 0.000 0.444 354 Q N -0.759 119.043 119.800 0.004 0.000 2.291 354 Q HA -0.077 4.272 4.340 0.015 0.000 0.205 354 Q C 2.118 178.128 176.000 0.017 0.000 0.970 354 Q CA 1.027 56.823 55.803 -0.011 0.000 0.876 354 Q CB -0.278 28.423 28.738 -0.062 0.000 0.935 354 Q HN 0.651 nan 8.270 nan 0.000 0.455 355 A N 2.164 125.012 122.820 0.047 0.000 1.845 355 A HA -0.239 4.090 4.320 0.015 0.000 0.215 355 A C 1.962 179.567 177.584 0.036 0.000 1.195 355 A CA 1.909 53.980 52.037 0.057 0.000 0.616 355 A CB -0.509 18.538 19.000 0.078 0.000 0.832 355 A HN 0.506 nan 8.150 nan 0.000 0.443 356 K N -0.076 120.343 120.400 0.031 0.000 2.209 356 K HA -0.088 4.241 4.320 0.015 0.000 0.204 356 K C 1.513 178.122 176.600 0.015 0.000 1.048 356 K CA 1.470 57.769 56.287 0.021 0.000 0.940 356 K CB -0.234 32.278 32.500 0.018 0.000 0.729 356 K HN 0.382 nan 8.250 nan 0.000 0.451 357 K N 1.046 121.454 120.400 0.013 0.000 2.439 357 K HA -0.044 4.285 4.320 0.015 0.000 0.197 357 K C 0.991 177.596 176.600 0.008 0.000 1.041 357 K CA 0.903 57.194 56.287 0.007 0.000 0.970 357 K CB 0.175 32.675 32.500 0.000 0.000 0.773 357 K HN 0.356 nan 8.250 nan 0.000 0.479 358 E N -0.791 119.417 120.200 0.014 0.000 2.498 358 E HA 0.096 4.455 4.350 0.015 0.000 0.203 358 E C 0.734 177.344 176.600 0.017 0.000 1.013 358 E CA 0.211 56.621 56.400 0.016 0.000 0.927 358 E CB 1.112 30.825 29.700 0.022 0.000 1.012 358 E HN 0.408 nan 8.360 nan 0.000 0.482 359 G N 1.426 110.236 108.800 0.016 0.000 2.255 359 G HA2 -0.226 3.743 3.960 0.015 0.000 0.196 359 G HA3 -0.226 3.743 3.960 0.015 0.000 0.196 359 G C 0.540 175.449 174.900 0.015 0.000 0.998 359 G CA -0.262 44.847 45.100 0.015 0.000 0.656 359 G HN 0.425 nan 8.290 nan 0.000 0.490 360 A N 0.516 123.348 122.820 0.019 0.000 2.555 360 A HA 0.539 4.867 4.320 0.015 0.000 0.233 360 A C 0.791 178.384 177.584 0.016 0.000 1.060 360 A CA 0.866 52.915 52.037 0.020 0.000 0.759 360 A CB 0.262 19.280 19.000 0.030 0.000 0.995 360 A HN 0.653 nan 8.150 nan 0.000 0.506 361 R N 2.655 123.163 120.500 0.013 0.000 2.358 361 R HA 0.386 4.735 4.340 0.015 0.000 0.309 361 R C -1.561 174.744 176.300 0.009 0.000 1.026 361 R CA -0.402 55.704 56.100 0.009 0.000 0.909 361 R CB 0.836 31.139 30.300 0.005 0.000 1.153 361 R HN 0.495 nan 8.270 nan 0.000 0.515 362 V N 7.364 127.284 119.914 0.010 0.000 2.421 362 V HA 0.037 4.166 4.120 0.015 0.000 0.271 362 V C 1.700 177.793 176.094 -0.001 0.000 1.031 362 V CA 0.193 62.498 62.300 0.009 0.000 1.032 362 V CB 0.848 32.677 31.823 0.011 0.000 1.009 362 V HN 0.697 nan 8.190 nan 0.000 0.477 363 L N 4.538 125.758 121.223 -0.004 0.000 2.418 363 L HA 0.193 4.542 4.340 0.015 0.000 0.218 363 L C 0.783 177.639 176.870 -0.024 0.000 1.125 363 L CA 0.381 55.211 54.840 -0.015 0.000 0.835 363 L CB -0.037 42.010 42.059 -0.020 0.000 0.953 363 L HN 0.912 nan 8.230 nan 0.000 0.454 364 C N -3.237 116.050 119.300 -0.022 0.000 3.068 364 C HA 0.621 5.090 4.460 0.015 0.000 0.344 364 C C 0.442 175.409 174.990 -0.037 0.000 1.223 364 C CA -0.838 58.158 59.018 -0.036 0.000 1.153 364 C CB 0.534 28.241 27.740 -0.054 0.000 1.396 364 C HN 0.642 nan 8.230 nan 0.000 0.485 365 G N 0.716 109.488 108.800 -0.047 0.000 2.692 365 G HA2 0.443 4.412 3.960 0.015 0.000 0.248 365 G HA3 0.443 4.412 3.960 0.015 0.000 0.248 365 G C 1.234 176.124 174.900 -0.018 0.000 1.340 365 G CA 1.579 46.651 45.100 -0.047 0.000 0.896 365 G HN 3.448 nan 8.290 nan 0.000 0.570 366 G N -1.568 107.228 108.800 -0.007 0.000 2.144 366 G HA2 0.073 4.042 3.960 0.015 0.000 0.218 366 G HA3 0.073 4.042 3.960 0.015 0.000 0.218 366 G C 0.004 174.917 174.900 0.020 0.000 0.988 366 G CA 1.398 46.508 45.100 0.017 0.000 0.659 366 G HN 1.363 nan 8.290 nan 0.000 0.522 367 E N -0.158 120.050 120.200 0.012 0.000 2.392 367 E HA 0.527 4.886 4.350 0.015 0.000 0.269 367 E C -2.758 173.856 176.600 0.024 0.000 0.924 367 E CA -2.352 54.058 56.400 0.016 0.000 0.784 367 E CB 2.081 31.785 29.700 0.006 0.000 1.292 367 E HN 0.077 nan 8.360 nan 0.000 0.447 368 P HA 0.050 nan 4.420 nan 0.000 0.272 368 P C -1.109 176.216 177.300 0.042 0.000 1.248 368 P CA -0.143 62.984 63.100 0.046 0.000 0.799 368 P CB 0.431 32.154 31.700 0.039 0.000 0.997 369 L N -0.683 120.579 121.223 0.064 0.000 2.491 369 L HA 0.655 5.004 4.340 0.015 0.000 0.254 369 L C -1.154 175.713 176.870 -0.005 0.000 1.048 369 L CA -0.019 54.835 54.840 0.023 0.000 0.855 369 L CB 2.223 44.303 42.059 0.035 0.000 1.466 369 L HN 0.241 nan 8.230 nan 0.000 0.409 370 T N 2.117 116.619 114.554 -0.087 0.000 3.313 370 T HA 0.410 4.769 4.350 0.015 0.000 0.333 370 T C -2.630 171.949 174.700 -0.201 0.000 0.904 370 T CA -0.583 61.441 62.100 -0.127 0.000 1.079 370 T CB 1.089 69.918 68.868 -0.064 0.000 1.017 370 T HN 0.357 nan 8.240 nan 0.000 0.471 371 P HA 0.229 nan 4.420 nan 0.000 0.268 371 P C 0.844 178.023 177.300 -0.201 0.000 1.208 371 P CA -0.112 62.785 63.100 -0.338 0.000 0.777 371 P CB 0.636 31.998 31.700 -0.563 0.000 0.875 372 S N -0.120 115.489 115.700 -0.152 0.000 2.353 372 S HA -0.143 4.336 4.470 0.015 0.000 0.222 372 S C 0.815 175.359 174.600 -0.094 0.000 1.035 372 S CA 1.088 59.226 58.200 -0.103 0.000 1.025 372 S CB -0.709 62.441 63.200 -0.083 0.000 0.902 372 S HN 0.679 nan 8.310 nan 0.000 0.440 373 D N 2.083 122.423 120.400 -0.101 0.000 2.581 373 D HA -0.009 4.640 4.640 0.015 0.000 0.238 373 D C -1.905 174.351 176.300 -0.073 0.000 1.145 373 D CA -1.216 52.737 54.000 -0.078 0.000 0.866 373 D CB 0.948 41.703 40.800 -0.076 0.000 1.151 373 D HN 0.020 nan 8.370 nan 0.000 0.500 374 P HA -0.157 nan 4.420 nan 0.000 0.218 374 P C 1.042 178.327 177.300 -0.025 0.000 1.148 374 P CA 1.669 64.747 63.100 -0.035 0.000 0.822 374 P CB 0.070 31.755 31.700 -0.025 0.000 0.784 375 K N -0.939 119.449 120.400 -0.020 0.000 2.365 375 K HA -0.002 4.326 4.320 0.015 0.000 0.199 375 K C 0.880 177.487 176.600 0.011 0.000 1.045 375 K CA 0.989 57.274 56.287 -0.004 0.000 0.962 375 K CB -0.602 31.897 32.500 -0.002 0.000 0.759 375 K HN 0.081 nan 8.250 nan 0.000 0.469 376 L N 1.077 122.295 121.223 -0.009 0.000 2.653 376 L HA 0.178 4.527 4.340 0.015 0.000 0.231 376 L C 1.304 178.178 176.870 0.006 0.000 1.153 376 L CA 0.673 55.526 54.840 0.021 0.000 0.933 376 L CB 0.160 42.146 42.059 -0.122 0.000 1.175 376 L HN -0.061 nan 8.230 nan 0.000 0.473 377 K N 0.262 120.660 120.400 -0.003 0.000 2.147 377 K HA -0.057 4.272 4.320 0.015 0.000 0.205 377 K C 1.353 177.994 176.600 0.068 0.000 1.049 377 K CA 1.310 57.600 56.287 0.006 0.000 0.936 377 K CB -0.308 32.193 32.500 0.002 0.000 0.722 377 K HN 0.411 nan 8.250 nan 0.000 0.446 378 N N -0.205 118.548 118.700 0.088 0.000 2.230 378 N HA 0.092 4.841 4.740 0.015 0.000 0.202 378 N C 0.421 175.998 175.510 0.112 0.000 1.119 378 N CA -0.231 52.884 53.050 0.109 0.000 0.851 378 N CB 0.633 39.169 38.487 0.082 0.000 0.990 378 N HN 0.117 nan 8.380 nan 0.000 0.497 379 G N 0.068 108.991 108.800 0.205 0.000 2.699 379 G HA2 -0.036 3.933 3.960 0.015 0.000 0.246 379 G HA3 -0.036 3.933 3.960 0.015 0.000 0.246 379 G C -0.674 174.292 174.900 0.110 0.000 1.219 379 G CA -0.168 44.979 45.100 0.078 0.000 0.866 379 G HN 0.240 nan 8.290 nan 0.000 0.572 380 Y N 0.374 120.506 120.300 -0.281 0.000 2.849 380 Y HA 0.390 4.949 4.550 0.015 0.000 0.356 380 Y C -0.262 175.469 175.900 -0.280 0.000 1.236 380 Y CA -1.677 56.295 58.100 -0.214 0.000 1.508 380 Y CB -0.748 37.562 38.460 -0.250 0.000 1.619 380 Y HN 0.161 nan 8.280 nan 0.000 0.513 381 F N 2.209 122.210 119.950 0.085 0.000 2.399 381 F HA 0.705 5.241 4.527 0.015 0.000 0.328 381 F C 0.334 176.144 175.800 0.018 0.000 1.084 381 F CA -1.210 56.808 58.000 0.029 0.000 1.053 381 F CB 1.364 40.363 39.000 -0.003 0.000 1.209 381 F HN 0.143 nan 8.300 nan 0.000 0.502 382 M N 0.121 119.835 119.600 0.189 0.000 2.644 382 M HA 0.675 5.164 4.480 0.015 0.000 0.273 382 M C -1.359 174.972 176.300 0.052 0.000 1.253 382 M CA -0.862 54.494 55.300 0.093 0.000 0.852 382 M CB 2.383 35.017 32.600 0.057 0.000 1.708 382 M HN 0.451 nan 8.290 nan 0.000 0.471 383 S N 0.576 116.280 115.700 0.006 0.000 2.480 383 S HA 0.670 5.149 4.470 0.015 0.000 0.286 383 S C -2.666 171.876 174.600 -0.096 0.000 1.180 383 S CA -1.287 56.884 58.200 -0.048 0.000 1.075 383 S CB 0.684 63.852 63.200 -0.054 0.000 0.996 383 S HN 0.652 nan 8.310 nan 0.000 0.487 384 P HA 0.023 nan 4.420 nan 0.000 0.260 384 P C -0.183 176.979 177.300 -0.229 0.000 1.172 384 P CA -0.056 62.824 63.100 -0.367 0.000 0.760 384 P CB -0.037 31.139 31.700 -0.873 0.000 0.773 385 C N 4.621 123.886 119.300 -0.058 0.000 2.376 385 C HA 0.541 5.009 4.460 0.015 0.000 0.335 385 C C -0.265 174.787 174.990 0.104 0.000 1.229 385 C CA -0.291 58.737 59.018 0.018 0.000 1.867 385 C CB 0.592 28.356 27.740 0.039 0.000 2.319 385 C HN 0.407 nan 8.230 nan 0.000 0.515 386 V N 7.838 127.791 119.914 0.065 0.000 2.349 386 V HA 0.341 4.470 4.120 0.015 0.000 0.284 386 V C 0.081 176.198 176.094 0.039 0.000 1.014 386 V CA -0.242 62.105 62.300 0.078 0.000 0.826 386 V CB 0.952 32.807 31.823 0.053 0.000 1.009 386 V HN 0.829 nan 8.190 nan 0.000 0.431 387 L N 3.405 124.651 121.223 0.038 0.000 2.439 387 L HA 0.637 4.986 4.340 0.015 0.000 0.261 387 L C -0.184 176.694 176.870 0.012 0.000 1.153 387 L CA 0.053 54.907 54.840 0.024 0.000 0.808 387 L CB 1.207 43.282 42.059 0.026 0.000 1.126 387 L HN 0.665 nan 8.230 nan 0.000 0.460 388 D N -0.124 120.280 120.400 0.008 0.000 2.661 388 D HA 0.262 4.911 4.640 0.015 0.000 0.228 388 D C -0.798 175.503 176.300 0.002 0.000 1.210 388 D CA -0.464 53.538 54.000 0.004 0.000 0.826 388 D CB 1.176 41.979 40.800 0.004 0.000 1.542 388 D HN 0.455 nan 8.370 nan 0.000 0.447 389 N N 0.446 119.145 118.700 -0.001 0.000 2.771 389 N HA -0.142 4.607 4.740 0.015 0.000 0.249 389 N C -1.438 174.072 175.510 0.000 0.000 1.069 389 N CA 0.633 53.684 53.050 0.001 0.000 0.688 389 N CB -1.246 37.244 38.487 0.005 0.000 0.928 389 N HN 0.444 nan 8.380 nan 0.000 0.551 390 C N 0.273 119.565 119.300 -0.013 0.000 2.365 390 C HA 0.677 5.146 4.460 0.015 0.000 0.349 390 C C 0.781 175.765 174.990 -0.009 0.000 1.191 390 C CA -0.759 58.251 59.018 -0.014 0.000 2.114 390 C CB 1.536 29.253 27.740 -0.038 0.000 2.367 390 C HN 0.323 nan 8.230 nan 0.000 0.530 391 R N 1.108 121.613 120.500 0.009 0.000 2.670 391 R HA 0.266 4.615 4.340 0.015 0.000 0.289 391 R C -0.260 176.064 176.300 0.039 0.000 0.965 391 R CA -0.677 55.438 56.100 0.026 0.000 0.899 391 R CB 1.297 31.616 30.300 0.032 0.000 1.173 391 R HN 0.612 nan 8.270 nan 0.000 0.456 392 D N 1.198 121.636 120.400 0.063 0.000 2.315 392 D HA -0.172 4.477 4.640 0.015 0.000 0.211 392 D C 1.061 177.410 176.300 0.083 0.000 0.977 392 D CA 1.441 55.495 54.000 0.091 0.000 0.894 392 D CB 0.119 40.991 40.800 0.121 0.000 0.910 392 D HN 0.571 nan 8.370 nan 0.000 0.490 393 D N -1.002 119.438 120.400 0.066 0.000 2.360 393 D HA -0.063 4.586 4.640 0.015 0.000 0.210 393 D C 0.707 177.043 176.300 0.060 0.000 1.047 393 D CA -0.116 53.921 54.000 0.062 0.000 0.854 393 D CB -0.095 40.735 40.800 0.050 0.000 0.936 393 D HN 0.150 nan 8.370 nan 0.000 0.514 394 M N 1.175 120.810 119.600 0.058 0.000 2.245 394 M HA 0.040 4.529 4.480 0.015 0.000 0.344 394 M C 1.307 177.657 176.300 0.083 0.000 1.170 394 M CA 0.096 55.432 55.300 0.059 0.000 1.135 394 M CB 0.992 33.623 32.600 0.052 0.000 1.574 394 M HN -0.219 nan 8.290 nan 0.000 0.452 395 T N 1.564 116.168 114.554 0.083 0.000 2.737 395 T HA -0.185 4.174 4.350 0.015 0.000 0.269 395 T C 1.686 176.498 174.700 0.187 0.000 1.040 395 T CA 1.997 64.166 62.100 0.115 0.000 1.142 395 T CB -0.454 68.455 68.868 0.069 0.000 0.861 395 T HN 0.971 nan 8.240 nan 0.000 0.456 396 C N 0.721 120.128 119.300 0.179 0.000 2.432 396 C HA 0.121 4.590 4.460 0.015 0.000 0.280 396 C C 2.497 177.567 174.990 0.133 0.000 1.353 396 C CA -0.204 58.940 59.018 0.210 0.000 1.766 396 C CB -1.411 26.432 27.740 0.171 0.000 1.924 396 C HN 0.323 nan 8.230 nan 0.000 0.509 397 V N 0.970 120.947 119.914 0.104 0.000 2.788 397 V HA -0.035 4.094 4.120 0.015 0.000 0.251 397 V C 2.664 178.831 176.094 0.122 0.000 1.068 397 V CA 1.735 64.083 62.300 0.079 0.000 1.090 397 V CB -0.562 31.291 31.823 0.051 0.000 0.710 397 V HN 0.589 nan 8.190 nan 0.000 0.467 398 K N -0.323 120.168 120.400 0.151 0.000 2.202 398 K HA 0.095 4.424 4.320 0.015 0.000 0.201 398 K C 0.553 177.306 176.600 0.255 0.000 1.051 398 K CA 0.310 56.712 56.287 0.191 0.000 0.977 398 K CB 0.217 32.813 32.500 0.161 0.000 0.792 398 K HN 0.378 nan 8.250 nan 0.000 0.469 399 E N 1.756 122.109 120.200 0.255 0.000 2.313 399 E HA 0.060 4.419 4.350 0.015 0.000 0.272 399 E C -0.758 175.946 176.600 0.174 0.000 1.038 399 E CA -0.142 56.439 56.400 0.303 0.000 0.863 399 E CB 1.213 31.175 29.700 0.437 0.000 1.060 399 E HN 0.116 nan 8.360 nan 0.000 0.402 400 E N 3.055 123.339 120.200 0.140 0.000 2.180 400 E HA 0.033 4.392 4.350 0.015 0.000 0.283 400 E C 0.815 177.351 176.600 -0.107 0.000 1.061 400 E CA -0.420 55.965 56.400 -0.024 0.000 0.861 400 E CB 0.390 30.052 29.700 -0.063 0.000 1.056 400 E HN 0.344 nan 8.360 nan 0.000 0.407 401 I N 4.226 124.642 120.570 -0.257 0.000 2.206 401 I HA -0.110 4.069 4.170 0.015 0.000 0.239 401 I C 1.082 177.092 176.117 -0.179 0.000 1.078 401 I CA 0.904 61.822 61.300 -0.636 0.000 1.367 401 I CB -0.758 36.936 38.000 -0.509 0.000 1.078 401 I HN 0.755 nan 8.210 nan 0.000 0.413 402 F N 0.967 120.794 119.950 -0.206 0.000 2.926 402 F HA -0.020 4.516 4.527 0.014 0.000 0.311 402 F C 0.258 176.053 175.800 -0.008 0.000 0.873 402 F CA 0.515 58.476 58.000 -0.065 0.000 1.351 402 F CB -1.264 37.742 39.000 0.010 0.000 1.431 402 F HN 0.212 nan 8.300 nan 0.000 0.561 403 G N 0.152 108.894 108.800 -0.096 0.000 2.695 403 G HA2 0.656 4.625 3.960 0.015 0.000 0.290 403 G HA3 0.656 4.625 3.960 0.015 0.000 0.290 403 G C -3.039 171.849 174.900 -0.020 0.000 1.410 403 G CA -0.904 44.164 45.100 -0.053 0.000 0.844 403 G HN -0.084 nan 8.290 nan 0.000 0.478 404 P HA 0.240 nan 4.420 nan 0.000 0.241 404 P C -0.664 176.805 177.300 0.282 0.000 1.760 404 P CA 0.045 63.296 63.100 0.252 0.000 1.081 404 P CB 0.262 32.078 31.700 0.193 0.000 1.975 405 V N 4.421 124.429 119.914 0.158 0.000 2.447 405 V HA 0.332 4.461 4.120 0.015 0.000 0.292 405 V C 0.176 176.297 176.094 0.045 0.000 1.021 405 V CA -0.622 61.749 62.300 0.118 0.000 0.850 405 V CB 2.080 33.932 31.823 0.049 0.000 1.005 405 V HN 0.367 nan 8.190 nan 0.000 0.426 406 M N 3.969 123.615 119.600 0.076 0.000 2.113 406 M HA 0.512 5.001 4.480 0.015 0.000 0.352 406 M C -0.378 175.919 176.300 -0.006 0.000 1.170 406 M CA 0.180 55.467 55.300 -0.022 0.000 1.053 406 M CB 1.189 33.773 32.600 -0.027 0.000 1.601 406 M HN 0.568 nan 8.290 nan 0.000 0.459 407 S N 4.330 120.005 115.700 -0.041 0.000 2.420 407 S HA 0.455 4.933 4.470 0.015 0.000 0.313 407 S C -0.574 173.972 174.600 -0.090 0.000 1.079 407 S CA -0.750 57.421 58.200 -0.049 0.000 1.104 407 S CB 0.852 64.019 63.200 -0.055 0.000 0.969 407 S HN 0.590 nan 8.310 nan 0.000 0.471 408 V N 5.229 125.111 119.914 -0.054 0.000 2.509 408 V HA 0.537 4.666 4.120 0.015 0.000 0.284 408 V C -0.529 175.498 176.094 -0.111 0.000 1.047 408 V CA -0.569 61.700 62.300 -0.052 0.000 0.952 408 V CB 0.947 32.804 31.823 0.056 0.000 0.988 408 V HN 0.630 nan 8.190 nan 0.000 0.469 409 L N 6.899 128.005 121.223 -0.195 0.000 2.455 409 L HA 0.605 4.954 4.340 0.015 0.000 0.264 409 L C -2.517 174.311 176.870 -0.070 0.000 0.968 409 L CA -1.367 53.360 54.840 -0.189 0.000 0.827 409 L CB 2.503 44.325 42.059 -0.395 0.000 1.317 409 L HN 0.417 nan 8.230 nan 0.000 0.407 410 P HA 0.486 nan 4.420 nan 0.000 0.279 410 P C -1.317 176.098 177.300 0.192 0.000 1.252 410 P CA -0.287 62.838 63.100 0.043 0.000 0.811 410 P CB 1.451 33.153 31.700 0.003 0.000 1.035 411 F N -0.931 119.036 119.950 0.029 0.000 2.693 411 F HA 0.490 5.027 4.527 0.016 0.000 0.309 411 F C -0.321 175.482 175.800 0.005 0.000 1.129 411 F CA -0.801 57.227 58.000 0.046 0.000 0.948 411 F CB 0.696 39.745 39.000 0.081 0.000 1.315 411 F HN 0.094 nan 8.300 nan 0.000 0.447 412 D N 0.148 120.672 120.400 0.207 0.000 2.856 412 D HA 0.097 4.746 4.640 0.015 0.000 0.283 412 D C 0.375 176.797 176.300 0.204 0.000 1.051 412 D CA 1.502 55.540 54.000 0.063 0.000 0.965 412 D CB 0.799 41.642 40.800 0.071 0.000 1.201 412 D HN 0.684 nan 8.370 nan 0.000 0.474 413 T N -1.719 113.033 114.554 0.330 0.000 2.924 413 T HA 0.333 4.692 4.350 0.015 0.000 0.291 413 T C 0.849 175.739 174.700 0.317 0.000 1.045 413 T CA -0.737 61.544 62.100 0.301 0.000 1.015 413 T CB 3.089 72.059 68.868 0.171 0.000 1.103 413 T HN -0.124 nan 8.240 nan 0.000 0.496 414 E N 0.543 120.931 120.200 0.314 0.000 2.038 414 E HA -0.238 4.121 4.350 0.015 0.000 0.195 414 E C 1.787 178.434 176.600 0.078 0.000 1.000 414 E CA 1.560 58.112 56.400 0.254 0.000 0.803 414 E CB -0.062 29.781 29.700 0.239 0.000 0.750 414 E HN 0.866 nan 8.360 nan 0.000 0.448 415 E N 0.313 120.555 120.200 0.071 0.000 2.160 415 E HA -0.255 4.104 4.350 0.015 0.000 0.195 415 E C 2.015 178.615 176.600 0.001 0.000 0.991 415 E CA 1.159 57.575 56.400 0.027 0.000 0.810 415 E CB -0.001 29.720 29.700 0.035 0.000 0.742 415 E HN 0.305 nan 8.360 nan 0.000 0.466 416 E N -0.030 120.184 120.200 0.023 0.000 2.012 416 E HA -0.209 4.150 4.350 0.015 0.000 0.197 416 E C 2.220 178.767 176.600 -0.088 0.000 1.007 416 E CA 2.254 58.661 56.400 0.011 0.000 0.816 416 E CB -0.030 29.724 29.700 0.090 0.000 0.762 416 E HN 0.265 nan 8.360 nan 0.000 0.451 417 V N 0.179 119.953 119.914 -0.233 0.000 2.392 417 V HA -0.265 3.863 4.120 0.015 0.000 0.249 417 V C 2.613 178.448 176.094 -0.431 0.000 1.059 417 V CA 1.591 63.584 62.300 -0.511 0.000 1.051 417 V CB -0.994 30.219 31.823 -1.018 0.000 0.658 417 V HN 0.229 nan 8.190 nan 0.000 0.455 418 L N 0.867 121.933 121.223 -0.261 0.000 1.989 418 L HA -0.268 4.081 4.340 0.015 0.000 0.211 418 L C 3.016 179.802 176.870 -0.140 0.000 1.071 418 L CA 2.489 57.223 54.840 -0.177 0.000 0.749 418 L CB -0.807 41.199 42.059 -0.088 0.000 0.890 418 L HN 0.553 nan 8.230 nan 0.000 0.431 419 Q N 0.261 120.003 119.800 -0.098 0.000 2.124 419 Q HA -0.210 4.139 4.340 0.015 0.000 0.202 419 Q C 2.062 178.025 176.000 -0.062 0.000 0.977 419 Q CA 1.572 57.342 55.803 -0.055 0.000 0.850 419 Q CB -0.288 28.436 28.738 -0.024 0.000 0.901 419 Q HN 0.350 nan 8.270 nan 0.000 0.429 420 R N 0.266 120.699 120.500 -0.111 0.000 2.075 420 R HA 0.140 4.489 4.340 0.015 0.000 0.226 420 R C 2.474 178.689 176.300 -0.141 0.000 1.114 420 R CA 1.001 57.051 56.100 -0.084 0.000 0.972 420 R CB -0.488 29.776 30.300 -0.061 0.000 0.869 420 R HN 0.409 nan 8.270 nan 0.000 0.437 421 A N 1.930 124.549 122.820 -0.336 0.000 1.858 421 A HA -0.154 4.174 4.320 0.015 0.000 0.216 421 A C 1.664 179.197 177.584 -0.085 0.000 1.190 421 A CA 1.452 53.304 52.037 -0.307 0.000 0.617 421 A CB -0.430 18.337 19.000 -0.388 0.000 0.827 421 A HN 0.234 nan 8.150 nan 0.000 0.443 422 N N 0.203 118.862 118.700 -0.068 0.000 2.515 422 N HA -0.077 4.672 4.740 0.015 0.000 0.185 422 N C 0.378 175.905 175.510 0.028 0.000 1.109 422 N CA 0.306 53.355 53.050 -0.002 0.000 0.903 422 N CB -0.634 37.851 38.487 -0.004 0.000 0.969 422 N HN 0.660 nan 8.380 nan 0.000 0.450 423 N N 0.794 119.508 118.700 0.024 0.000 3.050 423 N HA -0.003 4.746 4.740 0.015 0.000 0.289 423 N C -0.895 174.665 175.510 0.083 0.000 1.209 423 N CA 0.050 53.129 53.050 0.048 0.000 1.154 423 N CB 0.189 38.703 38.487 0.045 0.000 1.444 423 N HN -0.066 nan 8.380 nan 0.000 0.529 424 T N -0.967 113.642 114.554 0.092 0.000 2.840 424 T HA 0.076 4.435 4.350 0.015 0.000 0.317 424 T C 0.710 175.460 174.700 0.083 0.000 1.401 424 T CA -0.522 61.653 62.100 0.126 0.000 1.028 424 T CB 1.581 70.582 68.868 0.222 0.000 1.317 424 T HN 0.078 nan 8.240 nan 0.000 0.495 425 T N 1.547 116.107 114.554 0.009 0.000 3.067 425 T HA 0.300 4.659 4.350 0.015 0.000 0.261 425 T C 0.336 174.981 174.700 -0.092 0.000 1.110 425 T CA 0.419 62.464 62.100 -0.092 0.000 1.113 425 T CB -0.499 68.242 68.868 -0.213 0.000 0.917 425 T HN 0.386 nan 8.240 nan 0.000 0.499 426 F N 0.589 120.577 119.950 0.062 0.000 2.368 426 F HA 0.566 5.101 4.527 0.014 0.000 0.308 426 F C 1.549 177.394 175.800 0.076 0.000 1.198 426 F CA -0.218 57.822 58.000 0.066 0.000 1.130 426 F CB 0.896 39.937 39.000 0.070 0.000 1.300 426 F HN -0.005 nan 8.300 nan 0.000 0.537 427 G N 0.836 109.830 108.800 0.324 0.000 4.713 427 G HA2 0.192 4.161 3.960 0.015 0.000 0.227 427 G HA3 0.192 4.161 3.960 0.015 0.000 0.227 427 G C -0.211 174.764 174.900 0.124 0.000 2.776 427 G CA -0.294 44.924 45.100 0.197 0.000 0.692 427 G HN 0.547 nan 8.290 nan 0.000 0.221 428 L N 0.571 121.862 121.223 0.113 0.000 2.116 428 L HA 0.842 5.191 4.340 0.015 0.000 0.200 428 L C 1.284 178.176 176.870 0.036 0.000 1.084 428 L CA 2.171 57.062 54.840 0.085 0.000 0.766 428 L CB -0.031 42.099 42.059 0.120 0.000 0.930 428 L HN 0.482 nan 8.230 nan 0.000 0.453 429 A N -2.022 120.825 122.820 0.044 0.000 2.504 429 A HA 0.852 5.181 4.320 0.015 0.000 0.285 429 A C -0.942 176.652 177.584 0.017 0.000 1.261 429 A CA 0.203 52.232 52.037 -0.014 0.000 0.741 429 A CB 1.177 20.206 19.000 0.049 0.000 1.327 429 A HN 0.398 nan 8.150 nan 0.000 0.441 430 S N -2.042 113.656 115.700 -0.004 0.000 2.633 430 S HA 0.719 5.198 4.470 0.015 0.000 0.271 430 S C -0.505 174.159 174.600 0.108 0.000 1.112 430 S CA -0.109 58.145 58.200 0.089 0.000 0.828 430 S CB 0.647 63.847 63.200 -0.001 0.000 1.086 430 S HN 2.411 nan 8.310 nan 0.000 0.461 431 G N -0.777 108.166 108.800 0.238 0.000 2.690 431 G HA2 0.807 4.775 3.960 0.015 0.000 0.291 431 G HA3 0.807 4.775 3.960 0.015 0.000 0.291 431 G C -1.730 173.278 174.900 0.181 0.000 1.403 431 G CA -0.481 44.765 45.100 0.244 0.000 0.864 431 G HN 1.731 nan 8.290 nan 0.000 0.480 432 V N 0.035 119.994 119.914 0.075 0.000 2.752 432 V HA 0.724 4.853 4.120 0.015 0.000 0.302 432 V C -1.910 174.176 176.094 -0.014 0.000 1.133 432 V CA -0.951 61.422 62.300 0.123 0.000 0.919 432 V CB 1.519 33.404 31.823 0.103 0.000 1.026 432 V HN 0.614 nan 8.190 nan 0.000 0.429 433 F N 5.119 125.176 119.950 0.178 0.000 2.375 433 F HA 0.822 5.359 4.527 0.017 0.000 0.361 433 F C 0.432 176.349 175.800 0.195 0.000 1.117 433 F CA 0.015 58.099 58.000 0.140 0.000 1.037 433 F CB 2.002 41.061 39.000 0.097 0.000 1.192 433 F HN 0.649 nan 8.300 nan 0.000 0.452 434 T N 1.941 116.624 114.554 0.216 0.000 2.711 434 T HA 0.419 4.778 4.350 0.015 0.000 0.302 434 T C 0.267 174.992 174.700 0.043 0.000 1.373 434 T CA -0.521 61.663 62.100 0.140 0.000 1.000 434 T CB 1.651 70.504 68.868 -0.025 0.000 1.483 434 T HN 0.506 nan 8.240 nan 0.000 0.499 435 R N 0.378 120.882 120.500 0.006 0.000 2.469 435 R HA 0.233 4.582 4.340 0.015 0.000 0.250 435 R C -0.511 175.762 176.300 -0.044 0.000 0.909 435 R CA -0.019 56.077 56.100 -0.007 0.000 1.050 435 R CB 0.078 30.392 30.300 0.024 0.000 1.256 435 R HN 0.662 nan 8.270 nan 0.000 0.550 436 D N 1.346 121.698 120.400 -0.079 0.000 2.336 436 D HA 0.056 4.705 4.640 0.015 0.000 0.249 436 D C 1.481 177.716 176.300 -0.108 0.000 1.213 436 D CA -0.077 53.872 54.000 -0.086 0.000 0.870 436 D CB 0.630 41.370 40.800 -0.100 0.000 1.076 436 D HN -0.011 nan 8.370 nan 0.000 0.483 437 I N 3.002 123.531 120.570 -0.069 0.000 2.181 437 I HA -0.384 3.795 4.170 0.015 0.000 0.247 437 I C 1.518 177.612 176.117 -0.038 0.000 1.081 437 I CA 1.501 62.770 61.300 -0.052 0.000 1.340 437 I CB 0.100 38.114 38.000 0.025 0.000 1.036 437 I HN 0.399 nan 8.210 nan 0.000 0.417 438 S N 0.241 115.923 115.700 -0.029 0.000 2.355 438 S HA -0.203 4.276 4.470 0.015 0.000 0.222 438 S C 1.943 176.499 174.600 -0.074 0.000 1.031 438 S CA 1.492 59.682 58.200 -0.016 0.000 0.993 438 S CB -0.361 62.826 63.200 -0.021 0.000 0.859 438 S HN 0.482 nan 8.310 nan 0.000 0.453 439 R N 1.598 122.011 120.500 -0.145 0.000 2.081 439 R HA -0.075 4.274 4.340 0.015 0.000 0.235 439 R C 2.251 178.415 176.300 -0.227 0.000 1.131 439 R CA 1.344 57.309 56.100 -0.225 0.000 0.960 439 R CB -0.596 29.476 30.300 -0.381 0.000 0.856 439 R HN 0.332 nan 8.270 nan 0.000 0.436 440 A N 1.206 123.873 122.820 -0.255 0.000 1.837 440 A HA -0.249 4.080 4.320 0.015 0.000 0.216 440 A C 2.001 179.424 177.584 -0.267 0.000 1.210 440 A CA 1.877 53.731 52.037 -0.305 0.000 0.632 440 A CB -1.307 17.426 19.000 -0.446 0.000 0.843 440 A HN 0.559 nan 8.150 nan 0.000 0.448 441 H N -0.750 118.278 119.070 -0.071 0.000 2.352 441 H HA -0.150 4.416 4.556 0.016 0.000 0.299 441 H C 2.233 177.527 175.328 -0.056 0.000 1.097 441 H CA 1.838 57.850 56.048 -0.059 0.000 1.311 441 H CB -0.440 29.292 29.762 -0.049 0.000 1.377 441 H HN 0.586 nan 8.280 nan 0.000 0.504 442 R N 0.856 121.379 120.500 0.038 0.000 2.080 442 R HA -0.119 4.230 4.340 0.015 0.000 0.236 442 R C 2.302 178.591 176.300 -0.018 0.000 1.137 442 R CA 1.751 57.852 56.100 0.003 0.000 0.943 442 R CB -0.268 30.018 30.300 -0.024 0.000 0.846 442 R HN 0.071 nan 8.270 nan 0.000 0.431 443 V N 1.149 121.035 119.914 -0.047 0.000 2.407 443 V HA -0.219 3.910 4.120 0.015 0.000 0.248 443 V C 2.522 178.599 176.094 -0.029 0.000 1.055 443 V CA 1.804 64.085 62.300 -0.031 0.000 1.049 443 V CB -0.775 31.039 31.823 -0.016 0.000 0.662 443 V HN 0.572 nan 8.190 nan 0.000 0.455 444 A N 0.341 123.140 122.820 -0.035 0.000 1.865 444 A HA -0.176 4.152 4.320 0.015 0.000 0.217 444 A C 2.467 180.036 177.584 -0.025 0.000 1.191 444 A CA 2.294 54.308 52.037 -0.037 0.000 0.623 444 A CB -0.989 18.000 19.000 -0.018 0.000 0.826 444 A HN 0.585 nan 8.150 nan 0.000 0.444 445 A N -0.082 122.739 122.820 0.002 0.000 1.978 445 A HA -0.204 4.125 4.320 0.015 0.000 0.220 445 A C 1.869 179.456 177.584 0.006 0.000 1.170 445 A CA 1.816 53.858 52.037 0.008 0.000 0.636 445 A CB -0.574 18.436 19.000 0.017 0.000 0.810 445 A HN 0.599 nan 8.150 nan 0.000 0.448 446 N N -0.707 117.991 118.700 -0.003 0.000 2.415 446 N HA 0.061 4.810 4.740 0.015 0.000 0.176 446 N C -0.120 175.384 175.510 -0.009 0.000 1.042 446 N CA 0.151 53.199 53.050 -0.002 0.000 0.902 446 N CB -0.217 38.265 38.487 -0.009 0.000 0.986 446 N HN 0.269 nan 8.380 nan 0.000 0.447 447 L N 1.958 123.163 121.223 -0.029 0.000 2.456 447 L HA 0.014 4.363 4.340 0.015 0.000 0.272 447 L C 0.816 177.669 176.870 -0.029 0.000 1.189 447 L CA 0.482 55.296 54.840 -0.043 0.000 0.846 447 L CB 0.246 42.265 42.059 -0.067 0.000 1.111 447 L HN 0.027 nan 8.230 nan 0.000 0.475 448 E N 3.239 123.440 120.200 0.002 0.000 2.360 448 E HA 0.505 4.864 4.350 0.015 0.000 0.253 448 E C -0.539 176.060 176.600 -0.002 0.000 1.189 448 E CA -0.263 56.187 56.400 0.083 0.000 1.252 448 E CB 0.510 30.294 29.700 0.139 0.000 1.408 448 E HN 0.628 nan 8.360 nan 0.000 0.464 449 A N -0.215 122.418 122.820 -0.311 0.000 2.532 449 A HA 0.670 4.999 4.320 0.015 0.000 0.290 449 A C 0.976 177.916 177.584 -1.073 0.000 1.143 449 A CA -0.468 51.292 52.037 -0.462 0.000 0.728 449 A CB 1.250 20.123 19.000 -0.212 0.000 1.317 449 A HN 0.370 nan 8.150 nan 0.000 0.414 450 G N -0.839 107.493 108.800 -0.781 0.000 2.623 450 G HA2 0.387 4.356 3.960 0.015 0.000 0.214 450 G HA3 0.387 4.356 3.960 0.015 0.000 0.214 450 G C 0.334 175.035 174.900 -0.332 0.000 1.138 450 G CA 1.362 46.088 45.100 -0.623 0.000 0.794 450 G HN 0.795 nan 8.290 nan 0.000 0.535 451 T N -0.778 113.589 114.554 -0.311 0.000 2.952 451 T HA 0.435 4.794 4.350 0.015 0.000 0.305 451 T C -1.550 172.875 174.700 -0.458 0.000 1.064 451 T CA -0.476 61.409 62.100 -0.358 0.000 1.008 451 T CB 2.182 70.840 68.868 -0.351 0.000 1.078 451 T HN -0.002 nan 8.240 nan 0.000 0.459 452 C N 4.330 123.329 119.300 -0.503 0.000 2.432 452 C HA 0.685 5.154 4.460 0.015 0.000 0.334 452 C C -1.362 173.351 174.990 -0.461 0.000 1.155 452 C CA -0.846 57.920 59.018 -0.421 0.000 1.335 452 C CB -0.931 26.671 27.740 -0.231 0.000 1.964 452 C HN 0.896 nan 8.230 nan 0.000 0.444 453 Y N 5.051 125.196 120.300 -0.257 0.000 2.299 453 Y HA 0.614 5.174 4.550 0.017 0.000 0.326 453 Y C 0.683 176.431 175.900 -0.253 0.000 1.164 453 Y CA -0.580 57.354 58.100 -0.277 0.000 1.234 453 Y CB 0.710 38.931 38.460 -0.399 0.000 1.219 453 Y HN 0.480 nan 8.280 nan 0.000 0.497 454 I N 3.936 124.445 120.570 -0.101 0.000 2.390 454 I HA 0.188 4.367 4.170 0.015 0.000 0.283 454 I C -0.596 175.330 176.117 -0.318 0.000 1.016 454 I CA -0.581 60.591 61.300 -0.213 0.000 1.151 454 I CB 0.801 38.699 38.000 -0.170 0.000 1.293 454 I HN 0.746 nan 8.210 nan 0.000 0.458 455 N N 2.657 120.945 118.700 -0.688 0.000 2.754 455 N HA -0.169 4.580 4.740 0.015 0.000 0.248 455 N C -0.217 175.004 175.510 -0.483 0.000 1.093 455 N CA 1.332 53.868 53.050 -0.856 0.000 0.699 455 N CB -0.787 37.555 38.487 -0.241 0.000 1.016 455 N HN 0.815 nan 8.380 nan 0.000 0.552 456 T N -2.001 112.253 114.554 -0.499 0.000 2.660 456 T HA 0.567 4.926 4.350 0.015 0.000 0.299 456 T C -2.458 172.252 174.700 0.017 0.000 1.763 456 T CA -0.495 61.597 62.100 -0.012 0.000 0.959 456 T CB 0.797 69.641 68.868 -0.040 0.000 1.935 456 T HN 0.151 nan 8.240 nan 0.000 0.470 457 Y N -0.284 119.840 120.300 -0.293 0.000 2.661 457 Y HA 0.429 4.989 4.550 0.017 0.000 0.339 457 Y C 0.442 175.878 175.900 -0.774 0.000 1.186 457 Y CA 0.267 57.942 58.100 -0.709 0.000 1.137 457 Y CB 0.981 39.293 38.460 -0.247 0.000 1.354 457 Y HN 0.927 nan 8.280 nan 0.000 0.469 458 S N 1.461 116.559 115.700 -1.003 0.000 3.084 458 S HA -0.169 4.309 4.470 0.015 0.000 0.277 458 S C -0.283 174.112 174.600 -0.341 0.000 1.295 458 S CA 0.934 58.889 58.200 -0.408 0.000 1.170 458 S CB -1.293 61.870 63.200 -0.061 0.000 1.412 458 S HN 0.472 nan 8.310 nan 0.000 0.669 459 I N 1.956 122.274 120.570 -0.419 0.000 2.496 459 I HA 0.333 4.512 4.170 0.015 0.000 0.285 459 I C 0.680 176.791 176.117 -0.009 0.000 1.080 459 I CA 0.459 61.678 61.300 -0.135 0.000 1.404 459 I CB 1.143 39.105 38.000 -0.064 0.000 1.403 459 I HN 0.105 nan 8.210 nan 0.000 0.539 460 S N 7.025 122.694 115.700 -0.052 0.000 2.204 460 S HA 0.294 4.773 4.470 0.015 0.000 0.147 460 S C -2.089 172.457 174.600 -0.089 0.000 1.711 460 S CA -0.804 57.350 58.200 -0.078 0.000 1.274 460 S CB 0.708 63.854 63.200 -0.090 0.000 1.257 460 S HN 0.510 nan 8.310 nan 0.000 0.404 461 P HA 0.110 nan 4.420 nan 0.000 0.269 461 P C 1.249 178.377 177.300 -0.287 0.000 1.209 461 P CA -0.373 62.628 63.100 -0.165 0.000 0.776 461 P CB 0.855 32.474 31.700 -0.135 0.000 0.876 462 V N -0.328 119.355 119.914 -0.385 0.000 2.871 462 V HA -0.129 4.000 4.120 0.015 0.000 0.256 462 V C 1.805 177.411 176.094 -0.813 0.000 1.082 462 V CA 1.237 63.157 62.300 -0.632 0.000 1.105 462 V CB -1.409 29.980 31.823 -0.722 0.000 0.713 462 V HN 0.326 nan 8.190 nan 0.000 0.473 463 E N 1.799 121.639 120.200 -0.599 0.000 2.265 463 E HA -0.001 4.358 4.350 0.015 0.000 0.196 463 E C 0.875 177.335 176.600 -0.233 0.000 0.996 463 E CA 1.208 57.350 56.400 -0.429 0.000 0.832 463 E CB -0.391 29.190 29.700 -0.198 0.000 0.756 463 E HN 0.836 nan 8.360 nan 0.000 0.491 464 V N -3.016 116.772 119.914 -0.211 0.000 2.815 464 V HA 0.570 4.699 4.120 0.015 0.000 0.314 464 V C -2.764 173.281 176.094 -0.081 0.000 1.064 464 V CA -3.244 58.992 62.300 -0.107 0.000 0.952 464 V CB 2.006 33.778 31.823 -0.085 0.000 1.020 464 V HN -0.246 nan 8.190 nan 0.000 0.439 465 P HA 0.385 nan 4.420 nan 0.000 0.272 465 P C -1.283 176.078 177.300 0.102 0.000 1.223 465 P CA 0.127 63.255 63.100 0.046 0.000 0.784 465 P CB 0.211 31.955 31.700 0.073 0.000 0.923 466 F N 1.393 121.292 119.950 -0.084 0.000 2.607 466 F HA 0.717 5.252 4.527 0.012 0.000 0.322 466 F C -0.562 175.213 175.800 -0.042 0.000 1.176 466 F CA -0.154 57.798 58.000 -0.081 0.000 0.977 466 F CB 1.268 40.207 39.000 -0.103 0.000 1.242 466 F HN 0.535 nan 8.300 nan 0.000 0.465 467 G N 2.288 110.734 108.800 -0.590 0.000 2.488 467 G HA2 0.535 4.504 3.960 0.015 0.000 0.301 467 G HA3 0.535 4.504 3.960 0.015 0.000 0.301 467 G C -1.260 173.478 174.900 -0.270 0.000 1.339 467 G CA -0.219 44.507 45.100 -0.624 0.000 0.803 467 G HN 1.053 nan 8.290 nan 0.000 0.482 468 G N -1.840 106.876 108.800 -0.139 0.000 2.552 468 G HA2 0.622 4.590 3.960 0.015 0.000 0.318 468 G HA3 0.622 4.590 3.960 0.015 0.000 0.318 468 G C -1.590 173.493 174.900 0.304 0.000 1.240 468 G CA -0.513 44.617 45.100 0.051 0.000 1.002 468 G HN 0.428 nan 8.290 nan 0.000 0.493 469 Y N -0.588 119.727 120.300 0.025 0.000 2.602 469 Y HA 0.456 5.013 4.550 0.012 0.000 0.342 469 Y C 1.132 177.066 175.900 0.057 0.000 1.029 469 Y CA -1.030 57.096 58.100 0.044 0.000 1.080 469 Y CB 1.988 40.471 38.460 0.038 0.000 1.284 469 Y HN 0.859 nan 8.280 nan 0.000 0.485 470 K N -0.157 120.340 120.400 0.161 0.000 1.931 470 K HA -0.307 4.021 4.320 0.015 0.000 0.126 470 K C 0.522 177.170 176.600 0.081 0.000 1.372 470 K CA 1.984 58.331 56.287 0.101 0.000 0.483 470 K CB -1.009 31.558 32.500 0.112 0.000 0.562 470 K HN 0.689 nan 8.250 nan 0.000 0.923 471 M N 1.082 120.705 119.600 0.039 0.000 2.581 471 M HA 0.039 4.528 4.480 0.015 0.000 0.224 471 M C 0.681 177.003 176.300 0.037 0.000 1.171 471 M CA 0.486 55.779 55.300 -0.011 0.000 0.993 471 M CB 0.228 32.759 32.600 -0.114 0.000 1.685 471 M HN 0.289 nan 8.290 nan 0.000 0.479 472 S N 0.365 116.135 115.700 0.116 0.000 2.575 472 S HA 0.375 4.854 4.470 0.015 0.000 0.215 472 S C 0.887 175.493 174.600 0.011 0.000 0.966 472 S CA 0.401 58.693 58.200 0.154 0.000 0.911 472 S CB 0.264 63.588 63.200 0.206 0.000 0.780 472 S HN 0.790 nan 8.310 nan 0.000 0.514 473 G N 1.518 110.281 108.800 -0.061 0.000 2.422 473 G HA2 0.138 4.107 3.960 0.015 0.000 0.607 473 G HA3 0.138 4.107 3.960 0.015 0.000 0.607 473 G C -1.202 173.592 174.900 -0.177 0.000 1.270 473 G CA -0.572 44.368 45.100 -0.267 0.000 0.992 473 G HN 0.537 nan 8.290 nan 0.000 0.499 474 F N -2.065 117.849 119.950 -0.059 0.000 2.686 474 F HA 0.933 5.469 4.527 0.014 0.000 0.311 474 F C 0.543 176.229 175.800 -0.189 0.000 1.128 474 F CA -0.526 57.422 58.000 -0.086 0.000 0.946 474 F CB 1.237 40.206 39.000 -0.051 0.000 1.336 474 F HN 2.528 nan 8.300 nan 0.000 0.457 475 G N 1.356 110.172 108.800 0.027 0.000 2.612 475 G HA2 0.345 4.314 3.960 0.015 0.000 0.686 475 G HA3 0.345 4.314 3.960 0.015 0.000 0.686 475 G C -1.760 172.812 174.900 -0.547 0.000 1.274 475 G CA -1.202 43.540 45.100 -0.597 0.000 0.849 475 G HN 0.834 nan 8.290 nan 0.000 0.595 476 R N -0.098 119.949 120.500 -0.755 0.000 2.808 476 R HA 0.784 5.133 4.340 0.015 0.000 0.272 476 R C -0.682 175.530 176.300 -0.147 0.000 0.995 476 R CA -0.908 55.017 56.100 -0.292 0.000 0.917 476 R CB 2.041 32.314 30.300 -0.044 0.000 1.217 476 R HN 0.716 nan 8.270 nan 0.000 0.471 477 E N 0.943 121.099 120.200 -0.072 0.000 2.312 477 E HA 0.412 4.771 4.350 0.015 0.000 0.267 477 E C -0.926 175.660 176.600 -0.023 0.000 0.894 477 E CA -0.434 55.967 56.400 0.002 0.000 0.773 477 E CB 1.025 30.764 29.700 0.065 0.000 1.241 477 E HN 0.492 nan 8.360 nan 0.000 0.432 478 N N 0.740 119.424 118.700 -0.026 0.000 5.411 478 N HA -0.168 4.580 4.740 0.015 0.000 0.369 478 N C -0.014 175.533 175.510 0.060 0.000 1.223 478 N CA 1.486 54.488 53.050 -0.080 0.000 2.614 478 N CB -0.742 37.484 38.487 -0.435 0.000 0.550 478 N HN 1.026 nan 8.380 nan 0.000 0.736 479 G N -0.316 108.453 108.800 -0.052 0.000 2.860 479 G HA2 -0.266 3.703 3.960 0.015 0.000 0.553 479 G HA3 -0.266 3.703 3.960 0.015 0.000 0.553 479 G C 0.661 175.719 174.900 0.263 0.000 1.439 479 G CA 0.626 45.757 45.100 0.052 0.000 0.879 479 G HN 0.691 nan 8.290 nan 0.000 0.545 480 Q N 0.138 120.074 119.800 0.227 0.000 2.123 480 Q HA 0.076 4.425 4.340 0.015 0.000 0.199 480 Q C 3.188 179.326 176.000 0.230 0.000 0.966 480 Q CA 1.861 57.802 55.803 0.229 0.000 0.845 480 Q CB -0.235 28.588 28.738 0.143 0.000 0.907 480 Q HN 1.199 nan 8.270 nan 0.000 0.439 481 A N 1.389 124.330 122.820 0.201 0.000 1.915 481 A HA -0.299 4.030 4.320 0.015 0.000 0.220 481 A C 2.299 180.077 177.584 0.324 0.000 1.198 481 A CA 2.321 54.489 52.037 0.218 0.000 0.647 481 A CB -1.378 17.756 19.000 0.225 0.000 0.825 481 A HN 0.398 nan 8.150 nan 0.000 0.456 482 T N 0.104 114.894 114.554 0.393 0.000 2.685 482 T HA -0.244 4.115 4.350 0.015 0.000 0.268 482 T C 1.934 176.905 174.700 0.453 0.000 1.034 482 T CA 2.469 64.873 62.100 0.506 0.000 1.149 482 T CB -1.239 67.840 68.868 0.353 0.000 0.860 482 T HN 1.011 nan 8.240 nan 0.000 0.449 483 V N 1.412 121.507 119.914 0.303 0.000 2.527 483 V HA -0.234 3.895 4.120 0.015 0.000 0.255 483 V C 1.667 177.851 176.094 0.151 0.000 1.081 483 V CA 2.205 64.637 62.300 0.219 0.000 1.092 483 V CB -0.751 31.175 31.823 0.172 0.000 0.673 483 V HN 0.299 nan 8.190 nan 0.000 0.470 484 D N -0.847 119.572 120.400 0.030 0.000 2.371 484 D HA -0.022 4.627 4.640 0.015 0.000 0.221 484 D C 1.537 177.636 176.300 -0.335 0.000 0.986 484 D CA 1.175 55.063 54.000 -0.185 0.000 0.899 484 D CB -0.175 40.419 40.800 -0.345 0.000 0.902 484 D HN 0.731 nan 8.370 nan 0.000 0.530 485 Y N -1.608 118.737 120.300 0.076 0.000 2.462 485 Y HA 0.103 4.664 4.550 0.019 0.000 0.261 485 Y C 0.624 176.355 175.900 -0.280 0.000 1.146 485 Y CA 0.161 58.219 58.100 -0.070 0.000 1.283 485 Y CB 0.204 38.609 38.460 -0.091 0.000 1.090 485 Y HN -0.038 nan 8.280 nan 0.000 0.526 486 Y N -0.574 119.814 120.300 0.147 0.000 2.682 486 Y HA 0.324 4.880 4.550 0.010 0.000 0.251 486 Y C 0.392 176.335 175.900 0.072 0.000 1.172 486 Y CA -0.620 57.541 58.100 0.100 0.000 1.186 486 Y CB 0.562 39.056 38.460 0.057 0.000 1.216 486 Y HN -0.076 nan 8.280 nan 0.000 0.540 487 S N -0.058 115.723 115.700 0.136 0.000 2.596 487 S HA 0.732 5.211 4.470 0.015 0.000 0.270 487 S C -1.303 173.341 174.600 0.073 0.000 1.155 487 S CA -0.956 57.307 58.200 0.104 0.000 0.827 487 S CB 2.454 65.711 63.200 0.095 0.000 1.130 487 S HN 0.219 nan 8.310 nan 0.000 0.467 488 Q N 0.777 120.619 119.800 0.070 0.000 2.456 488 Q HA 0.720 5.069 4.340 0.015 0.000 0.283 488 Q C -1.590 174.434 176.000 0.040 0.000 1.084 488 Q CA -1.212 54.626 55.803 0.059 0.000 0.801 488 Q CB 1.704 30.502 28.738 0.101 0.000 1.434 488 Q HN 0.692 nan 8.270 nan 0.000 0.419 489 L N 1.593 122.828 121.223 0.020 0.000 2.287 489 L HA 0.539 4.888 4.340 0.015 0.000 0.287 489 L C -0.347 176.525 176.870 0.004 0.000 1.022 489 L CA -0.744 54.105 54.840 0.015 0.000 0.814 489 L CB 1.538 43.598 42.059 0.002 0.000 1.217 489 L HN 0.616 nan 8.230 nan 0.000 0.420 490 K N 2.238 122.641 120.400 0.006 0.000 2.183 490 K HA 0.400 4.729 4.320 0.015 0.000 0.274 490 K C -0.706 175.856 176.600 -0.062 0.000 1.009 490 K CA -0.402 55.872 56.287 -0.022 0.000 0.888 490 K CB 1.322 33.816 32.500 -0.010 0.000 1.078 490 K HN 0.465 nan 8.250 nan 0.000 0.459 491 T N 3.198 117.695 114.554 -0.096 0.000 2.767 491 T HA 0.268 4.626 4.350 0.015 0.000 0.288 491 T C -0.792 173.760 174.700 -0.246 0.000 0.963 491 T CA -0.538 61.470 62.100 -0.152 0.000 1.019 491 T CB 1.041 69.839 68.868 -0.116 0.000 0.923 491 T HN 0.291 nan 8.240 nan 0.000 0.468 492 V N 5.831 125.479 119.914 -0.444 0.000 2.350 492 V HA 0.452 4.581 4.120 0.015 0.000 0.285 492 V C -0.121 175.610 176.094 -0.605 0.000 1.014 492 V CA -0.759 61.180 62.300 -0.601 0.000 0.831 492 V CB 1.066 32.257 31.823 -1.054 0.000 1.000 492 V HN 0.799 nan 8.190 nan 0.000 0.433 493 I N 5.232 125.568 120.570 -0.390 0.000 2.354 493 I HA 0.515 4.694 4.170 0.015 0.000 0.292 493 I C -0.405 175.501 176.117 -0.353 0.000 0.989 493 I CA -0.759 60.335 61.300 -0.343 0.000 1.188 493 I CB 1.966 39.836 38.000 -0.217 0.000 1.342 493 I HN 0.406 nan 8.210 nan 0.000 0.457 494 V N 6.308 125.934 119.914 -0.481 0.000 2.376 494 V HA 0.379 4.507 4.120 0.015 0.000 0.287 494 V C -0.354 175.566 176.094 -0.290 0.000 1.015 494 V CA -0.435 61.609 62.300 -0.427 0.000 0.834 494 V CB 1.628 33.099 31.823 -0.586 0.000 1.001 494 V HN 0.778 nan 8.190 nan 0.000 0.428 495 E N 6.199 126.315 120.200 -0.140 0.000 2.299 495 E HA 0.237 4.596 4.350 0.015 0.000 0.272 495 E C 0.599 177.198 176.600 -0.003 0.000 1.043 495 E CA -0.010 56.357 56.400 -0.055 0.000 0.895 495 E CB 1.230 30.906 29.700 -0.040 0.000 1.011 495 E HN 0.703 nan 8.360 nan 0.000 0.432 496 M N 2.876 122.504 119.600 0.046 0.000 2.514 496 M HA 0.212 4.700 4.480 0.015 0.000 0.258 496 M C 0.938 177.272 176.300 0.057 0.000 1.119 496 M CA 0.592 55.945 55.300 0.088 0.000 1.111 496 M CB -0.016 32.669 32.600 0.141 0.000 1.390 496 M HN 0.546 nan 8.290 nan 0.000 0.475 497 G N -0.512 108.310 108.800 0.037 0.000 3.356 497 G HA2 0.312 4.281 3.960 0.015 0.000 0.178 497 G HA3 0.312 4.281 3.960 0.015 0.000 0.178 497 G C -1.003 173.908 174.900 0.018 0.000 1.175 497 G CA -0.305 44.812 45.100 0.028 0.000 0.840 497 G HN 0.126 nan 8.290 nan 0.000 0.658 498 D N -0.193 120.216 120.400 0.015 0.000 2.268 498 D HA 0.491 5.139 4.640 0.015 0.000 0.249 498 D C 0.085 176.390 176.300 0.009 0.000 1.008 498 D CA -0.284 53.723 54.000 0.011 0.000 0.939 498 D CB 2.158 42.965 40.800 0.012 0.000 1.170 498 D HN 0.056 nan 8.370 nan 0.000 0.468 499 V N 1.583 121.503 119.914 0.010 0.000 2.614 499 V HA 0.048 4.176 4.120 0.015 0.000 0.291 499 V C 0.233 176.336 176.094 0.015 0.000 1.049 499 V CA -0.107 62.200 62.300 0.012 0.000 1.038 499 V CB 0.745 32.578 31.823 0.017 0.000 0.980 499 V HN 0.366 nan 8.190 nan 0.000 0.481 500 D N 3.154 123.562 120.400 0.013 0.000 2.396 500 D HA 0.276 4.925 4.640 0.015 0.000 0.225 500 D C -0.077 176.236 176.300 0.022 0.000 1.121 500 D CA 0.281 54.286 54.000 0.009 0.000 0.853 500 D CB 1.657 42.456 40.800 -0.001 0.000 1.043 500 D HN 0.528 nan 8.370 nan 0.000 0.500 501 S N 2.150 117.868 115.700 0.031 0.000 2.537 501 S HA 0.385 4.864 4.470 0.015 0.000 0.301 501 S C 0.772 175.363 174.600 -0.014 0.000 1.092 501 S CA -0.736 57.509 58.200 0.075 0.000 1.048 501 S CB 0.977 64.257 63.200 0.134 0.000 1.053 501 S HN 0.393 nan 8.310 nan 0.000 0.501 502 L N 3.315 124.461 121.223 -0.128 0.000 2.653 502 L HA 0.370 4.719 4.340 0.015 0.000 0.231 502 L C -0.986 175.411 176.870 -0.789 0.000 1.153 502 L CA 0.052 54.571 54.840 -0.534 0.000 0.933 502 L CB -0.550 41.018 42.059 -0.818 0.000 1.175 502 L HN 0.535 nan 8.230 nan 0.000 0.473 503 F N 0.000 119.945 119.950 -0.008 0.000 2.286 503 F HA 0.000 4.536 4.527 0.014 0.000 0.279 503 F CA 0.000 57.995 58.000 -0.008 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