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_D 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 0.857 120.652 119.800 -0.008 0.000 2.119 2 Q HA -0.050 4.299 4.340 0.015 0.000 0.201 2 Q C 1.755 177.747 176.000 -0.015 0.000 0.972 2 Q CA 1.887 57.684 55.803 -0.011 0.000 0.847 2 Q CB -0.862 27.871 28.738 -0.008 0.000 0.903 2 Q HN 0.792 nan 8.270 nan 0.000 0.433 3 L N 1.204 122.419 121.223 -0.014 0.000 2.083 3 L HA -0.102 4.247 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 1.227 56.056 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 -0.325 119.573 119.914 -0.027 0.000 2.515 4 V HA -0.222 3.907 4.120 0.015 0.000 0.250 4 V C 1.996 178.068 176.094 -0.037 0.000 1.058 4 V CA 1.860 64.136 62.300 -0.039 0.000 1.064 4 V CB -0.769 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 0.270 120.653 120.400 -0.028 0.000 2.317 5 D HA -0.063 4.586 4.640 0.015 0.000 0.211 5 D C 2.299 178.585 176.300 -0.024 0.000 0.966 5 D CA 1.395 55.380 54.000 -0.025 0.000 0.876 5 D CB 0.098 40.886 40.800 -0.020 0.000 0.927 5 D HN 0.620 nan 8.370 nan 0.000 0.519 6 S N -0.003 115.683 115.700 -0.023 0.000 2.489 6 S HA -0.057 4.422 4.470 0.015 0.000 0.228 6 S C 1.968 176.554 174.600 -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 63.129 63.200 -0.019 0.000 0.771 6 S HN -0.026 nan 8.310 nan 0.000 0.522 7 M N 2.058 121.642 119.600 -0.028 0.000 2.143 7 M HA -0.013 4.476 4.480 0.015 0.000 0.258 7 M C -0.796 175.487 176.300 -0.028 0.000 1.071 7 M CA 0.946 56.228 55.300 -0.031 0.000 1.088 7 M CB -2.822 29.754 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 65.027 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 2.024 124.833 122.820 -0.019 0.000 2.466 10 A HA 0.631 4.960 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 0.139 52.165 52.037 -0.019 0.000 0.774 10 A CB 0.128 19.115 19.000 -0.022 0.000 1.015 10 A HN 1.100 nan 8.150 nan 0.000 0.498 11 S N -0.231 115.460 115.700 -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 1.792 116.343 114.554 -0.006 0.000 2.905 12 T HA 0.440 4.799 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 1.492 63.591 62.100 -0.003 0.000 1.151 12 T CB -0.236 68.638 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 1.184 176.078 174.900 -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 1.325 175.917 174.600 -0.015 0.000 1.051 14 S CA 0.845 59.038 58.200 -0.012 0.000 0.943 14 S CB 0.200 63.393 63.200 -0.012 0.000 0.810 14 S HN 0.898 nan 8.310 nan 0.000 0.509 15 V N 1.623 121.527 119.914 -0.017 0.000 3.376 15 V HA 0.518 4.647 4.120 0.015 0.000 0.303 15 V C 0.222 176.303 176.094 -0.022 0.000 1.100 15 V CA -0.070 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 2.632 122.532 119.914 -0.023 0.000 2.823 16 V HA 0.378 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 0.543 4.672 4.120 0.015 0.000 0.297 17 V C 1.242 177.323 176.094 -0.021 0.000 1.060 17 V CA 0.834 63.121 62.300 -0.021 0.000 1.038 17 V CB 1.440 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 -2.164 112.381 114.554 -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 61.690 62.100 -0.016 0.000 0.905 18 T CB 0.025 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 2.218 122.612 120.400 -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 53.907 54.000 -0.007 0.000 0.999 19 D CB 0.627 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 0.831 177.129 176.300 -0.002 0.000 1.062 20 D CA -0.302 53.686 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 0.108 4.457 4.340 0.015 0.000 0.228 21 L C 0.536 177.441 176.870 0.058 0.000 1.123 21 L CA 0.066 54.931 54.840 0.041 0.000 0.890 21 L CB -0.050 42.042 42.059 0.056 0.000 1.103 21 L HN 0.115 nan 8.230 nan 0.000 0.468 22 N N 0.317 119.021 118.700 0.006 0.000 2.473 22 N HA 0.268 5.018 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 40.362 38.487 -0.086 0.000 1.164 22 N HN -0.068 nan 8.380 nan 0.000 0.480 23 Y N 2.014 122.232 120.300 -0.137 0.000 2.330 23 Y HA 0.467 5.026 4.550 0.015 0.000 0.324 23 Y C -1.733 174.208 175.900 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 3.398 124.492 121.300 -0.344 0.000 3.059 24 W HA 0.611 5.280 4.660 0.015 0.000 0.329 24 W C 0.280 176.602 176.519 -0.328 0.000 1.246 24 W CA -1.436 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 0.104 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 1.413 46.520 45.100 0.012 0.000 0.698 25 G HN 2.765 nan 8.290 nan 0.000 0.521 26 G N -1.200 107.339 108.800 -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 -0.818 0.000 1.005 26 G CA 1.373 46.010 45.100 -0.771 0.000 0.713 26 G HN 2.150 nan 8.290 nan 0.000 0.515 27 R N -2.053 117.805 120.500 -1.070 0.000 2.716 27 R HA 0.665 5.014 4.340 0.015 0.000 0.271 27 R C -0.618 175.262 176.300 -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 1.294 121.642 120.500 -0.254 0.000 2.298 28 R HA 0.292 4.641 4.340 0.015 0.000 0.310 28 R C -0.009 176.107 176.300 -0.308 0.000 1.068 28 R CA -0.533 55.468 56.100 -0.164 0.000 0.957 28 R CB 0.520 30.818 30.300 -0.003 0.000 1.003 28 R HN 0.339 nan 8.270 nan 0.000 0.454 29 I N 3.687 123.977 120.570 -0.466 0.000 2.441 29 I HA 0.022 4.201 4.170 0.015 0.000 0.287 29 I C 1.351 177.314 176.117 -0.257 0.000 1.049 29 I CA 0.002 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 2.998 123.297 120.400 -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 0.739 56.970 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 1.310 116.976 115.700 -0.057 0.000 3.272 31 S HA -0.187 4.292 4.470 0.015 0.000 0.355 31 S C -0.151 174.453 174.600 0.007 0.000 0.875 31 S CA 0.406 58.606 58.200 0.000 0.000 1.357 31 S CB -1.052 62.156 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 0.610 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 0.366 56.660 56.287 0.011 0.000 0.961 32 K CB 0.195 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 -1.663 118.747 120.400 0.016 0.000 10.847 33 D HA -0.148 4.501 4.640 0.015 0.000 0.350 33 D C 0.768 177.080 176.300 0.020 0.000 3.129 33 D CA 1.098 55.109 54.000 0.019 0.000 2.659 33 D CB -0.301 40.514 40.800 0.024 0.000 1.194 33 D HN 0.559 nan 8.370 nan 0.000 0.939 34 G N 2.540 111.351 108.800 0.018 0.000 2.802 34 G HA2 0.048 4.017 3.960 0.015 0.000 0.222 34 G HA3 0.048 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 48.160 45.100 0.019 0.000 0.787 34 G HN 1.996 nan 8.290 nan 0.000 0.643 35 A N -1.192 121.645 122.820 0.028 0.000 1.679 35 A HA 0.018 4.348 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 16.946 19.000 0.042 0.000 1.179 35 A HN 1.449 nan 8.150 nan 0.000 0.226 36 T N 2.493 117.067 114.554 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 0.457 115.031 114.554 0.033 0.000 2.907 37 T HA 0.695 5.054 4.350 0.015 0.000 0.290 37 T C -1.228 173.493 174.700 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 1.801 122.020 120.200 0.033 0.000 2.248 38 E HA 0.463 4.822 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 1.855 121.581 119.914 -0.314 0.000 2.472 40 V HA 0.600 4.729 4.120 0.015 0.000 0.290 40 V C -0.561 175.326 176.094 -0.345 0.000 1.037 40 V CA -0.666 61.548 62.300 -0.143 0.000 0.908 40 V CB 0.454 32.258 31.823 -0.033 0.000 0.985 40 V HN 0.207 nan 8.190 nan 0.000 0.454 41 F N 1.529 121.490 119.950 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 -0.911 57.089 58.000 0.000 0.000 0.989 41 F CB 1.454 40.490 39.000 0.060 0.000 1.245 41 F HN 0.669 nan 8.300 nan 0.000 0.486 42 E N 2.705 122.959 120.200 0.090 0.000 2.035 42 E HA 0.266 4.625 4.350 0.015 0.000 0.271 42 E C -2.105 174.402 176.600 -0.156 0.000 0.953 42 E CA -1.942 54.441 56.400 -0.027 0.000 0.777 42 E CB 1.143 30.820 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 0.732 177.677 177.300 -0.590 0.000 1.151 43 P CA 1.493 64.327 63.100 -0.444 0.000 0.849 43 P CB 0.258 31.817 31.700 -0.234 0.000 0.787 44 A N -1.219 121.395 122.820 -0.342 0.000 2.119 44 A HA -0.068 4.261 4.320 0.015 0.000 0.217 44 A C 1.953 179.516 177.584 -0.035 0.000 1.153 44 A CA 2.024 53.934 52.037 -0.212 0.000 0.692 44 A CB -1.232 17.759 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 4.782 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 2.126 110.770 108.800 -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 -0.433 120.120 120.500 0.088 0.000 2.641 47 R HA 0.449 4.798 4.340 0.015 0.000 0.269 47 R C 0.319 176.644 176.300 0.040 0.000 1.074 47 R CA -0.394 55.755 56.100 0.081 0.000 1.133 47 R CB 1.132 31.441 30.300 0.015 0.000 1.029 47 R HN 0.057 nan 8.270 nan 0.000 0.488 48 V N 4.927 124.797 119.914 -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 32.464 31.823 -0.278 0.000 1.011 48 V HN 0.718 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 0.945 55.720 54.840 -0.107 0.000 0.783 49 L CB 0.012 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 -4.706 114.514 119.300 -0.134 0.000 2.986 50 C HA 0.311 4.780 4.460 0.015 0.000 0.326 50 C C -1.338 173.585 174.990 -0.111 0.000 1.335 50 C CA -1.310 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 0.734 120.493 119.800 -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 -0.253 55.520 55.803 -0.051 0.000 0.877 51 Q CB 1.780 30.499 28.738 -0.032 0.000 1.315 51 Q HN 0.971 nan 8.270 nan 0.000 0.454 52 M N -1.151 118.451 119.600 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 -0.886 54.432 55.300 0.031 0.000 0.925 52 M CB 1.669 34.298 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 -1.746 60.589 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 -0.488 176.878 177.300 0.111 0.000 1.223 54 P CA -0.224 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 1.940 121.314 119.300 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 0.077 59.168 59.018 0.122 0.000 2.131 55 C CB 0.712 28.528 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 0.221 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 -0.707 18.304 19.000 0.018 0.000 0.822 57 A HN 0.642 nan 8.150 nan 0.000 0.447 58 E N 0.304 120.506 120.200 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 1.853 58.249 56.400 -0.006 0.000 0.825 58 E CB -0.514 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 0.476 120.643 120.200 -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 1.235 57.511 56.400 -0.206 0.000 0.809 59 E CB -0.735 28.990 29.700 0.042 0.000 0.755 59 E HN 0.068 nan 8.360 nan 0.000 0.449 60 V N 1.916 121.655 119.914 -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 -0.791 119.509 120.400 -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 -0.054 40.775 40.800 0.049 0.000 0.947 61 D HN 0.630 nan 8.370 nan 0.000 0.452 62 Q N -0.028 119.556 119.800 -0.360 0.000 2.084 62 Q HA -0.108 4.241 4.340 0.015 0.000 0.202 62 Q C 2.311 177.947 176.000 -0.607 0.000 0.978 62 Q CA 1.296 56.843 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 0.586 122.854 122.820 -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 1.759 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 -0.016 119.689 119.914 -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 2.478 64.587 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 1.981 57.749 55.803 -0.059 0.000 0.863 65 Q CB -0.335 28.379 28.738 -0.041 0.000 0.904 65 Q HN 0.642 nan 8.270 nan 0.000 0.422 66 S N -0.028 115.644 115.700 -0.046 0.000 2.348 66 S HA -0.177 4.302 4.470 0.015 0.000 0.221 66 S C 1.983 176.605 174.600 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 -1.372 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 0.075 119.896 119.800 0.035 0.000 2.082 68 Q HA -0.228 4.121 4.340 0.015 0.000 0.211 68 Q C 2.023 178.116 176.000 0.156 0.000 1.002 68 Q CA 3.016 58.874 55.803 0.091 0.000 0.868 68 Q CB -0.813 27.952 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 -0.092 4.237 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 2.690 54.786 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 -1.456 121.434 122.820 0.118 0.000 1.917 70 A HA -0.181 4.148 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 18.073 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 -0.254 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 60.114 58.100 0.134 0.000 1.135 71 Y CB -0.714 37.798 38.460 0.087 0.000 0.970 71 Y HN 0.185 nan 8.280 nan 0.000 0.498 72 L N 0.787 121.965 121.223 -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 -0.135 0.000 1.077 72 L CA 2.501 57.232 54.840 -0.181 0.000 0.766 72 L CB -1.262 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 -1.277 119.116 120.400 -0.011 0.000 2.044 73 K HA -0.186 4.143 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 1.969 123.226 121.300 -0.073 0.000 2.342 74 W HA -0.192 4.477 4.660 0.016 0.000 0.297 74 W C 1.520 177.991 176.519 -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 0.247 115.882 115.700 -0.108 0.000 2.481 75 S HA -0.116 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 0.970 59.021 58.200 -0.249 0.000 0.942 75 S CB -0.229 62.639 63.200 -0.553 0.000 0.768 75 S HN 0.007 nan 8.310 nan 0.000 0.520 76 K N 0.641 120.923 120.400 -0.197 0.000 2.400 76 K HA 0.390 4.719 4.320 0.015 0.000 0.194 76 K C 0.559 177.066 176.600 -0.155 0.000 1.033 76 K CA 0.161 56.361 56.287 -0.147 0.000 1.021 76 K CB -0.243 32.196 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 4.727 4.480 0.015 0.000 0.344 77 M C 0.146 176.285 176.300 -0.269 0.000 1.150 77 M CA -0.544 54.606 55.300 -0.249 0.000 1.147 77 M CB 1.304 33.700 32.600 -0.341 0.000 1.498 77 M HN 0.005 nan 8.290 nan 0.000 0.461 78 A N 1.766 124.468 122.820 -0.195 0.000 2.287 78 A HA 0.542 4.871 4.320 0.015 0.000 0.273 78 A C 1.238 178.709 177.584 -0.189 0.000 1.091 78 A CA -0.044 51.897 52.037 -0.159 0.000 0.817 78 A CB -0.009 18.929 19.000 -0.103 0.000 1.069 78 A HN 1.036 nan 8.150 nan 0.000 0.492 79 G N 0.323 109.039 108.800 -0.141 0.000 2.491 79 G HA2 -0.261 3.709 3.960 0.015 0.000 0.218 79 G HA3 -0.261 3.709 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 1.476 46.503 45.100 -0.121 0.000 0.774 79 G HN 0.815 nan 8.290 nan 0.000 0.562 80 I N 0.870 121.397 120.570 -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 37.807 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 0.778 57.121 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 0.031 0.000 1.117 82 R CA 0.902 56.766 56.100 -0.394 0.000 0.981 82 R CB -0.315 29.541 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 0.998 59.243 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 0.564 121.116 120.500 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 28.853 30.300 0.073 0.000 0.850 84 R HN 0.442 nan 8.270 nan 0.000 0.433 85 V N 1.479 121.513 119.914 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 2.020 64.469 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 1.928 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 -0.169 121.173 121.223 0.199 0.000 2.081 87 L HA -0.238 4.111 4.340 0.015 0.000 0.212 87 L C 2.591 179.534 176.870 0.121 0.000 1.080 87 L CA 1.079 56.011 54.840 0.152 0.000 0.754 87 L CB -0.692 41.435 42.059 0.113 0.000 0.893 87 L HN 0.319 nan 8.230 nan 0.000 0.433 88 E N -0.020 120.254 120.200 0.122 0.000 2.072 88 E HA -0.126 4.233 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 1.629 124.522 122.820 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 2.198 54.263 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 -0.443 122.434 122.820 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 18.478 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 4.138 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 2.108 58.121 56.100 -0.145 0.000 0.991 91 R CB -0.574 29.685 30.300 -0.070 0.000 0.879 91 R HN 0.625 nan 8.270 nan 0.000 0.460 92 I N 0.154 120.680 120.570 -0.073 0.000 2.235 92 I HA -0.251 3.928 4.170 0.015 0.000 0.241 92 I C 2.395 178.472 176.117 -0.065 0.000 1.085 92 I CA 0.967 62.232 61.300 -0.058 0.000 1.378 92 I CB -0.217 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 1.294 62.617 61.300 0.038 0.000 1.373 93 I CB -0.516 37.614 38.000 0.217 0.000 1.055 93 I HN 0.227 nan 8.210 nan 0.000 0.418 94 R N 1.112 121.440 120.500 -0.285 0.000 2.083 94 R HA -0.200 4.149 4.340 0.015 0.000 0.237 94 R C 1.942 178.087 176.300 -0.259 0.000 1.137 94 R CA 1.803 57.581 56.100 -0.536 0.000 0.951 94 R CB -0.171 29.660 30.300 -0.780 0.000 0.851 94 R HN 0.461 nan 8.270 nan 0.000 0.434 95 E N -0.496 119.592 120.200 -0.186 0.000 2.478 95 E HA -0.116 4.243 4.350 0.015 0.000 0.198 95 E C 0.869 177.419 176.600 -0.083 0.000 1.046 95 E CA 0.547 56.876 56.400 -0.118 0.000 0.870 95 E CB 0.210 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 -0.056 120.398 120.500 -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 0.419 30.681 30.300 -0.062 0.000 1.400 96 R HN -0.096 nan 8.270 nan 0.000 0.566 97 R N 2.234 122.702 120.500 -0.053 0.000 2.179 97 R HA -0.224 4.126 4.340 0.015 0.000 0.238 97 R C 0.641 176.910 176.300 -0.052 0.000 1.119 97 R CA 2.317 58.408 56.100 -0.016 0.000 0.915 97 R CB -0.359 29.958 30.300 0.028 0.000 0.870 97 R HN 0.223 nan 8.270 nan 0.000 0.432 98 D N 0.415 120.786 120.400 -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 0.966 119.624 118.700 -0.069 0.000 2.069 99 N HA -0.179 4.570 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 -0.552 37.896 38.487 -0.065 0.000 1.035 99 N HN 0.339 nan 8.380 nan 0.000 0.434 100 I N 1.190 121.670 120.570 -0.151 0.000 2.179 100 I HA -0.239 3.940 4.170 0.015 0.000 0.242 100 I C 2.463 178.443 176.117 -0.230 0.000 1.088 100 I CA 1.083 62.232 61.300 -0.251 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 0.834 123.550 122.820 -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 54.177 52.037 -0.115 0.000 0.624 101 A CB -0.622 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 -0.581 119.775 120.400 -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 1.510 57.764 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 0.920 122.103 121.223 -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 1.602 56.409 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 0.294 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 0.862 120.756 119.914 -0.033 0.000 2.255 105 V HA -0.293 3.836 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 2.445 63.729 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 0.097 118.794 118.700 -0.005 0.000 2.387 107 N HA -0.137 4.612 4.740 0.015 0.000 0.176 107 N C 1.874 177.398 175.510 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 0.102 118.814 118.700 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 55.010 53.050 0.031 0.000 0.856 108 N CB 0.272 38.775 38.487 0.027 0.000 0.997 108 N HN 0.396 nan 8.380 nan 0.000 0.429 109 G N 1.092 109.865 108.800 -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 -0.006 174.849 174.900 -0.076 0.000 0.996 109 G CA 0.398 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 1.384 121.745 120.400 -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 0.303 32.738 32.500 -0.108 0.000 0.969 110 K HN 0.494 nan 8.250 nan 0.000 0.490 111 T N -0.424 114.122 114.554 -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 -0.579 61.526 62.100 0.008 0.000 1.122 111 T CB 0.198 69.081 68.868 0.025 0.000 0.972 111 T HN 0.568 nan 8.240 nan 0.000 0.545 112 I N 1.151 121.728 120.570 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 1.035 62.340 61.300 0.008 0.000 1.433 112 I CB -2.145 35.851 38.000 -0.007 0.000 1.082 112 I HN 0.680 nan 8.210 nan 0.000 0.432 113 T N 0.650 115.237 114.554 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 64.157 62.100 0.107 0.000 1.140 113 T CB -0.224 68.714 68.868 0.116 0.000 0.864 113 T HN 0.561 nan 8.240 nan 0.000 0.455 114 E N 0.472 120.779 120.200 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 0.659 57.195 56.400 0.228 0.000 0.807 114 E CB -0.240 29.511 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 2.237 54.299 52.037 0.043 0.000 0.657 115 A CB -0.828 18.171 19.000 -0.002 0.000 0.827 115 A HN 0.272 nan 8.150 nan 0.000 0.462 116 E N -1.573 118.633 120.200 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 -0.403 29.188 29.700 -0.182 0.000 0.744 116 E HN 0.828 nan 8.360 nan 0.000 0.451 117 Y N 1.464 121.791 120.300 0.045 0.000 2.165 117 Y HA -0.221 4.338 4.550 0.014 0.000 0.286 117 Y C 2.139 178.066 175.900 0.046 0.000 1.155 117 Y CA 1.461 59.586 58.100 0.040 0.000 1.164 117 Y CB -0.410 38.072 38.460 0.036 0.000 0.978 117 Y HN 0.010 nan 8.280 nan 0.000 0.513 118 D N -0.188 120.355 120.400 0.237 0.000 2.149 118 D HA -0.196 4.453 4.640 0.015 0.000 0.194 118 D C 2.014 178.412 176.300 0.163 0.000 1.001 118 D CA 1.517 55.628 54.000 0.186 0.000 0.849 118 D CB -0.220 40.688 40.800 0.179 0.000 0.939 118 D HN 0.192 nan 8.370 nan 0.000 0.449 119 I N 0.828 121.491 120.570 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 -1.078 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 1.649 122.113 120.400 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 1.750 55.621 54.000 -0.216 0.000 0.840 120 D CB -0.020 40.737 40.800 -0.072 0.000 0.947 120 D HN 0.325 nan 8.370 nan 0.000 0.452 121 A N 1.088 123.833 122.820 -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 2.237 54.267 52.037 -0.012 0.000 0.636 121 A CB -0.536 18.542 19.000 0.130 0.000 0.810 121 A HN 0.269 nan 8.150 nan 0.000 0.448 122 A N -0.010 122.887 122.820 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 53.610 52.037 0.234 0.000 0.613 122 A CB -1.059 18.141 19.000 0.333 0.000 0.829 122 A HN 1.049 nan 8.150 nan 0.000 0.442 123 W N -0.018 121.411 121.300 0.216 0.000 2.519 123 W HA -0.082 4.587 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 58.339 57.345 0.171 0.000 1.274 123 W CB -0.633 28.909 29.460 0.136 0.000 1.114 123 W HN 0.427 nan 8.180 nan 0.000 0.596 124 Q N 0.665 120.282 119.800 -0.306 0.000 2.123 124 Q HA -0.148 4.201 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 1.893 57.518 55.803 -0.296 0.000 0.845 124 Q CB -0.559 27.832 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 0.202 120.982 120.570 0.351 0.000 2.233 126 I HA -0.143 4.036 4.170 0.015 0.000 0.243 126 I C 2.630 178.955 176.117 0.345 0.000 1.093 126 I CA 1.812 63.346 61.300 0.389 0.000 1.380 126 I CB -0.779 37.457 38.000 0.393 0.000 1.067 126 I HN 0.411 nan 8.210 nan 0.000 0.413 127 E N 0.195 120.602 120.200 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 1.153 57.733 56.400 0.300 0.000 0.821 127 E CB -0.010 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 -0.524 119.803 120.300 0.045 0.000 2.153 128 Y HA -0.214 4.343 4.550 0.011 0.000 0.289 128 Y C 1.609 177.420 175.900 -0.148 0.000 1.119 128 Y CA 1.616 59.648 58.100 -0.112 0.000 1.116 128 Y CB -0.483 37.813 38.460 -0.274 0.000 1.004 128 Y HN 0.040 nan 8.280 nan 0.000 0.501 129 Y N 0.269 120.580 120.300 0.018 0.000 2.274 129 Y HA -0.148 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 1.034 59.097 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 1.036 46.099 45.100 -0.061 0.000 0.782 131 G HN 0.422 nan 8.290 nan 0.000 0.538 132 L N 0.261 121.389 121.223 -0.158 0.000 2.513 132 L HA 0.506 4.856 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 1.088 55.837 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 0.780 123.603 122.820 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 1.728 53.773 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 0.925 178.212 177.300 -0.023 0.000 1.184 134 P CA 1.170 64.254 63.100 -0.028 0.000 0.760 134 P CB 0.110 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 68.533 68.868 -0.023 0.000 0.935 135 T HN -0.116 nan 8.240 nan 0.000 0.488 136 L N 3.807 125.033 121.223 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 0.475 55.326 54.840 0.019 0.000 0.935 136 L CB -0.745 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 1.439 117.154 115.700 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 1.463 64.676 63.200 0.022 0.000 1.139 137 S HN 0.729 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 -0.849 44.300 45.100 0.081 0.000 1.014 138 G HN 0.753 nan 8.290 nan 0.000 0.541 139 Q N -0.947 118.925 119.800 0.120 0.000 2.306 139 Q HA 0.419 4.768 4.340 0.015 0.000 0.269 139 Q C -1.235 174.906 176.000 0.233 0.000 1.053 139 Q CA -0.840 55.048 55.803 0.141 0.000 0.879 139 Q CB 2.361 31.159 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 -0.397 55.756 56.048 0.176 0.000 1.369 140 H CB 0.310 30.140 29.762 0.113 0.000 1.598 140 H HN 0.570 nan 8.280 nan 0.000 0.518 141 I N 3.940 124.474 120.570 -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 5.250 125.079 119.800 0.048 0.000 2.274 142 Q HA 0.568 4.917 4.340 0.015 0.000 0.256 142 Q C -0.991 175.044 176.000 0.059 0.000 0.927 142 Q CA -0.370 55.480 55.803 0.078 0.000 0.939 142 Q CB 1.923 30.720 28.738 0.098 0.000 1.201 142 Q HN 0.468 nan 8.270 nan 0.000 0.426 143 L N 3.091 124.354 121.223 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 0.719 42.788 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 0.370 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 1.915 110.730 108.800 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 45.682 45.100 0.026 0.000 0.922 145 G HN 1.037 nan 8.290 nan 0.000 0.503 146 G N -1.247 107.585 108.800 0.053 0.000 2.377 146 G HA2 0.079 4.048 3.960 0.015 0.000 0.250 146 G HA3 0.079 4.048 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 1.462 46.609 45.100 0.079 0.000 0.625 146 G HN 2.383 nan 8.290 nan 0.000 0.526 147 A N 0.135 123.017 122.820 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 0.977 53.080 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 -1.768 118.164 119.950 -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 -0.089 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 20.447 19.000 -0.146 0.000 1.328 149 A HN 1.649 nan 8.150 nan 0.000 0.424 150 Y N -1.598 118.658 120.300 -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 57.524 58.100 0.016 0.000 1.039 150 Y CB 0.696 39.233 38.460 0.128 0.000 1.331 150 Y HN 0.886 nan 8.280 nan 0.000 0.456 151 T N 0.975 115.655 114.554 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 -1.052 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 0.822 nan 8.240 nan 0.000 0.468 152 R N 1.278 121.865 120.500 0.145 0.000 2.445 152 R HA 0.461 4.810 4.340 0.015 0.000 0.308 152 R C -0.174 176.176 176.300 0.084 0.000 0.961 152 R CA -0.899 55.287 56.100 0.144 0.000 0.862 152 R CB 1.975 32.362 30.300 0.146 0.000 1.144 152 R HN 0.614 nan 8.270 nan 0.000 0.447 153 R N 2.922 123.465 120.500 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 5.549 125.788 120.200 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 -2.337 54.109 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 0.014 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 -0.302 62.908 63.100 0.184 0.000 0.788 155 P CB 1.025 32.916 31.700 0.319 0.000 0.949 156 L N 0.687 121.943 121.223 0.055 0.000 2.131 156 L HA 0.199 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 2.346 57.137 54.840 -0.081 0.000 0.767 156 L CB -1.548 40.425 42.059 -0.144 0.000 0.917 156 L HN 0.873 nan 8.230 nan 0.000 0.441 157 G N -1.722 106.854 108.800 -0.373 0.000 2.113 157 G HA2 -0.080 3.890 3.960 0.015 0.000 0.082 157 G HA3 -0.080 3.890 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 -0.874 0.000 1.241 157 G HN -0.156 nan 8.290 nan 0.000 0.453 158 V N 1.137 120.801 119.914 -0.417 0.000 2.350 158 V HA 0.490 4.619 4.120 0.015 0.000 0.276 158 V C 0.177 176.197 176.094 -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 32.477 31.823 -0.181 0.000 0.990 158 V HN 0.814 nan 8.190 nan 0.000 0.453 159 C N 5.150 124.424 119.300 -0.043 0.000 2.307 159 C HA 0.772 5.241 4.460 0.015 0.000 0.340 159 C C 0.850 175.884 174.990 0.073 0.000 1.275 159 C CA -0.689 58.356 59.018 0.046 0.000 1.811 159 C CB 0.212 28.057 27.740 0.175 0.000 2.372 159 C HN 0.955 nan 8.230 nan 0.000 0.531 160 A N 2.862 125.727 122.820 0.075 0.000 2.292 160 A HA 0.767 5.096 4.320 0.015 0.000 0.319 160 A C 0.214 177.892 177.584 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 -0.734 174.295 174.900 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 0.097 176.246 176.117 0.052 0.000 1.031 162 I CA -0.383 61.032 61.300 0.192 0.000 1.180 162 I CB 1.207 39.407 38.000 0.333 0.000 1.336 162 I HN 0.159 nan 8.210 nan 0.000 0.467 163 L N 4.962 126.214 121.223 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 0.649 42.690 42.059 -0.029 0.000 1.187 163 L HN 0.598 nan 8.230 nan 0.000 0.480 164 A N -0.316 122.435 122.820 -0.116 0.000 2.387 164 A HA 0.462 4.791 4.320 0.015 0.000 0.298 164 A C 0.011 177.547 177.584 -0.080 0.000 1.165 164 A CA -0.720 51.208 52.037 -0.182 0.000 0.814 164 A CB 0.933 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 0.649 121.994 121.300 0.075 0.000 3.114 165 W HA 0.031 4.701 4.660 0.017 0.000 0.279 165 W C 0.815 177.377 176.519 0.072 0.000 1.277 165 W CA 0.686 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 -0.233 0.000 2.381 166 N HA -0.218 4.531 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 0.939 53.929 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 4.962 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 -2.016 56.025 58.100 -0.098 0.000 1.190 167 Y CB 1.786 40.107 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 0.096 0.000 1.176 168 P CA 1.683 64.850 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 -1.269 118.673 119.950 -0.013 0.000 2.186 169 F HA -0.089 4.448 4.527 0.016 0.000 0.299 169 F C 2.474 178.227 175.800 -0.078 0.000 1.090 169 F CA 1.362 59.347 58.000 -0.026 0.000 1.307 169 F CB -0.571 38.432 39.000 0.005 0.000 1.019 169 F HN -0.210 nan 8.300 nan 0.000 0.489 170 M N -0.357 119.251 119.600 0.014 0.000 2.099 170 M HA -0.188 4.301 4.480 0.015 0.000 0.262 170 M C 2.363 178.339 176.300 -0.540 0.000 1.067 170 M CA 1.799 56.932 55.300 -0.277 0.000 1.124 170 M CB -0.450 31.929 32.600 -0.368 0.000 1.353 170 M HN 0.333 nan 8.290 nan 0.000 0.410 171 I N 0.148 120.465 120.570 -0.422 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 1.518 62.626 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 0.886 123.507 122.820 -0.330 0.000 1.902 172 A HA -0.185 4.144 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 53.524 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 -1.568 121.105 122.820 -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 1.517 53.540 52.037 -0.024 0.000 0.623 173 A CB -0.843 18.133 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 4.682 4.660 0.024 0.000 0.270 174 W C 2.058 178.530 176.519 -0.078 0.000 1.233 174 W CA 1.136 58.469 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 -0.136 0.000 1.049 175 K CA 1.117 57.390 56.287 -0.023 0.000 0.978 175 K CB -0.496 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 2.829 177.739 174.990 -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 0.082 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 -0.224 4.106 4.320 0.015 0.000 0.218 177 A C 0.591 178.032 177.584 -0.238 0.000 1.233 177 A CA 2.838 54.909 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 2.130 64.601 63.100 -1.048 0.000 0.848 178 P CB -0.283 30.620 31.700 -1.329 0.000 0.787 179 A N 0.189 122.552 122.820 -0.761 0.000 1.884 179 A HA -0.212 4.117 4.320 0.015 0.000 0.219 179 A C 2.311 179.857 177.584 -0.062 0.000 1.197 179 A CA 2.122 53.905 52.037 -0.422 0.000 0.637 179 A CB -1.668 17.173 19.000 -0.266 0.000 0.827 179 A HN 0.113 nan 8.150 nan 0.000 0.450 180 L N -0.622 120.563 121.223 -0.063 0.000 2.027 180 L HA -0.033 4.316 4.340 0.015 0.000 0.206 180 L C 3.030 180.101 176.870 0.334 0.000 1.074 180 L CA 1.803 56.740 54.840 0.162 0.000 0.745 180 L CB -1.021 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 -1.538 121.372 122.820 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 -1.827 117.532 119.300 0.099 0.000 2.626 182 C HA 0.446 4.915 4.460 0.015 0.000 0.266 182 C C 2.027 177.100 174.990 0.138 0.000 1.317 182 C CA 0.393 59.477 59.018 0.109 0.000 1.716 182 C CB -0.998 26.827 27.740 0.142 0.000 1.819 182 C HN 1.110 nan 8.230 nan 0.000 0.578 183 G N 1.090 110.018 108.800 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 0.226 0.000 0.643 183 G HN 0.519 nan 8.290 nan 0.000 0.522 184 N N 0.617 119.579 118.700 0.437 0.000 2.381 184 N HA 0.590 5.339 4.740 0.015 0.000 0.254 184 N C 0.320 175.991 175.510 0.268 0.000 1.264 184 N CA 0.560 53.803 53.050 0.320 0.000 0.942 184 N CB 1.186 39.782 38.487 0.180 0.000 1.190 184 N HN 0.667 nan 8.380 nan 0.000 0.495 185 A N 0.360 123.244 122.820 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 0.969 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 1.260 121.151 119.914 -0.039 0.000 2.680 186 V HA 0.595 4.724 4.120 0.015 0.000 0.309 186 V C -0.732 175.378 176.094 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 5.224 125.167 119.914 0.048 0.000 2.462 187 V HA 0.523 4.653 4.120 0.015 0.000 0.288 187 V C -0.761 175.388 176.094 0.091 0.000 1.020 187 V CA -0.483 61.813 62.300 -0.006 0.000 0.857 187 V CB 1.088 32.883 31.823 -0.048 0.000 1.013 187 V HN 0.769 nan 8.190 nan 0.000 0.431 188 F N 1.857 121.858 119.950 0.085 0.000 2.556 188 F HA 0.804 5.340 4.527 0.015 0.000 0.327 188 F C -0.422 175.441 175.800 0.106 0.000 1.059 188 F CA -1.503 56.550 58.000 0.088 0.000 0.953 188 F CB 1.812 40.860 39.000 0.080 0.000 1.227 188 F HN 0.306 nan 8.300 nan 0.000 0.478 189 K N 3.507 124.152 120.400 0.408 0.000 2.521 189 K HA 0.498 4.827 4.320 0.015 0.000 0.248 189 K C -2.989 173.805 176.600 0.324 0.000 0.978 189 K CA -1.949 54.517 56.287 0.298 0.000 0.947 189 K CB 1.440 34.062 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 -0.714 176.720 177.300 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 2.240 118.071 115.700 0.218 0.000 2.533 191 S HA 0.104 4.583 4.470 0.015 0.000 0.282 191 S C -1.162 173.569 174.600 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 -0.718 118.967 119.600 0.141 0.000 2.419 193 M HA -0.006 4.483 4.480 0.015 0.000 0.264 193 M C 0.703 177.077 176.300 0.124 0.000 1.082 193 M CA 1.577 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 -2.778 111.875 114.554 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 -1.185 61.012 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 0.059 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 1.987 121.966 119.914 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 3.627 65.981 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 -1.778 112.858 114.554 0.137 0.000 2.897 197 T HA -0.064 4.295 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 1.474 63.694 62.100 0.200 0.000 1.123 197 T CB -1.248 67.738 68.868 0.197 0.000 0.865 197 T HN 0.713 nan 8.240 nan 0.000 0.496 198 G N 1.209 110.183 108.800 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 0.877 46.188 45.100 0.352 0.000 0.782 198 G HN 0.474 nan 8.290 nan 0.000 0.554 199 V N 1.374 121.393 119.914 0.176 0.000 2.546 199 V HA -0.189 3.940 4.120 0.015 0.000 0.254 199 V C 2.688 178.742 176.094 -0.066 0.000 1.076 199 V CA 1.606 63.897 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 3.950 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 2.107 63.463 61.300 0.093 0.000 1.334 200 I CB -1.492 36.607 38.000 0.165 0.000 1.040 200 I HN 0.429 nan 8.210 nan 0.000 0.405 201 L N 1.473 122.840 121.223 0.241 0.000 1.990 201 L HA -0.220 4.129 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 2.448 57.319 54.840 0.051 0.000 0.755 201 L CB -0.983 40.980 42.059 -0.162 0.000 0.889 201 L HN 0.241 nan 8.230 nan 0.000 0.432 202 A N -0.683 122.190 122.820 0.087 0.000 1.859 202 A HA -0.304 4.025 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 54.290 52.037 0.069 0.000 0.629 202 A CB -0.893 17.963 19.000 -0.240 0.000 0.830 202 A HN 0.664 nan 8.150 nan 0.000 0.446 203 E N -0.403 119.667 120.200 -0.218 0.000 2.058 203 E HA -0.203 4.156 4.350 0.015 0.000 0.194 203 E C 1.970 178.640 176.600 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 29.232 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 62.422 61.300 -0.016 0.000 1.363 204 I CB -0.343 37.592 38.000 -0.110 0.000 1.051 204 I HN 0.028 nan 8.210 nan 0.000 0.413 205 F N 0.659 120.643 119.950 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 29.360 29.762 0.208 0.000 1.373 206 H HN 0.374 nan 8.280 nan 0.000 0.497 207 E N 0.754 121.095 120.200 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 0.848 57.336 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 0.065 122.962 122.820 0.128 0.000 1.969 208 A HA 0.052 4.381 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 1.480 53.594 52.037 0.129 0.000 0.635 208 A CB -0.320 18.784 19.000 0.174 0.000 0.810 208 A HN 0.527 nan 8.150 nan 0.000 0.445 209 G N -2.386 106.494 108.800 0.133 0.000 2.161 209 G HA2 0.005 3.974 3.960 0.015 0.000 0.140 209 G HA3 0.005 3.974 3.960 0.015 0.000 0.140 209 G C -0.068 174.902 174.900 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 1.346 121.281 119.914 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 -1.044 61.179 62.300 -0.128 0.000 1.063 210 V CB 1.246 32.836 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 -0.087 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 3.901 123.897 119.914 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 3.774 112.797 108.800 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 4.644 4.340 0.015 0.000 0.210 214 L C 1.125 177.898 176.870 -0.161 0.000 1.081 214 L CA 1.947 56.674 54.840 -0.189 0.000 0.752 214 L CB 0.109 41.872 42.059 -0.493 0.000 0.896 214 L HN 0.269 nan 8.230 nan 0.000 0.433 215 V N 1.399 121.262 119.914 -0.086 0.000 2.407 215 V HA 0.421 4.550 4.120 0.015 0.000 0.291 215 V C -0.521 175.692 176.094 0.199 0.000 1.018 215 V CA -0.919 61.392 62.300 0.018 0.000 0.842 215 V CB 1.209 33.061 31.823 0.049 0.000 0.996 215 V HN 0.210 nan 8.190 nan 0.000 0.426 216 N N 2.834 121.578 118.700 0.075 0.000 2.402 216 N HA 0.801 5.551 4.740 0.015 0.000 0.294 216 N C -1.228 174.189 175.510 -0.153 0.000 1.203 216 N CA -0.478 52.652 53.050 0.134 0.000 0.838 216 N CB 2.780 41.348 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 33.504 31.823 -0.199 0.000 1.008 217 V HN 0.515 nan 8.190 nan 0.000 0.425 218 V N 1.275 121.258 119.914 0.115 0.000 2.540 218 V HA 0.720 4.850 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 1.789 33.688 31.823 0.126 0.000 0.992 218 V HN 0.742 nan 8.190 nan 0.000 0.428 219 Q N 1.985 121.899 119.800 0.190 0.000 2.199 219 Q HA 0.899 5.248 4.340 0.015 0.000 0.232 219 Q C 0.477 176.565 176.000 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 44.872 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 2.632 54.719 52.037 0.083 0.000 0.650 222 A CB -0.895 18.148 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 4.166 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 1.933 58.377 56.400 0.073 0.000 0.825 223 E CB -1.413 28.327 29.700 0.067 0.000 0.756 223 E HN 0.670 nan 8.360 nan 0.000 0.454 224 T N 0.837 115.441 114.554 0.082 0.000 2.595 224 T HA -0.150 4.209 4.350 0.015 0.000 0.264 224 T C 1.979 176.727 174.700 0.081 0.000 1.058 224 T CA 1.837 63.987 62.100 0.083 0.000 1.166 224 T CB -0.937 67.987 68.868 0.094 0.000 0.863 224 T HN 0.452 nan 8.240 nan 0.000 0.415 225 G N 1.052 109.906 108.800 0.090 0.000 2.507 225 G HA2 -0.258 3.711 3.960 0.015 0.000 0.221 225 G HA3 -0.258 3.711 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 1.398 46.548 45.100 0.083 0.000 0.751 225 G HN 0.512 nan 8.290 nan 0.000 0.574 226 S N 0.382 116.105 115.700 0.039 0.000 2.355 226 S HA -0.007 4.473 4.470 0.015 0.000 0.222 226 S C 2.312 176.949 174.600 0.063 0.000 1.031 226 S CA 0.935 59.145 58.200 0.016 0.000 0.993 226 S CB -0.295 62.970 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 4.160 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 -0.761 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 2.679 179.565 176.870 0.028 0.000 1.077 228 L CA 1.300 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 -1.306 117.957 119.300 -0.062 0.000 2.432 229 C HA -0.113 4.357 4.460 0.015 0.000 0.280 229 C C 2.640 177.525 174.990 -0.174 0.000 1.353 229 C CA 0.238 59.161 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 -1.553 117.542 119.070 0.042 0.000 2.520 230 H HA 0.059 4.624 4.556 0.016 0.000 0.279 230 H C 0.733 176.077 175.328 0.028 0.000 0.990 230 H CA 0.433 56.494 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 -1.187 174.151 175.328 0.017 0.000 0.980 231 H CA -0.972 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 -0.442 175.099 175.510 0.052 0.000 1.130 233 N CA -0.314 52.859 53.050 0.206 0.000 0.861 233 N CB 0.836 39.455 38.487 0.219 0.000 1.005 233 N HN -0.064 nan 8.380 nan 0.000 0.507 234 V N 1.343 121.297 119.914 0.066 0.000 2.383 234 V HA 0.319 4.448 4.120 0.015 0.000 0.275 234 V C 0.813 176.886 176.094 -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 33.044 31.823 -0.004 0.000 0.985 234 V HN 0.193 nan 8.190 nan 0.000 0.459 235 A N 4.947 127.709 122.820 -0.097 0.000 2.030 235 A HA 0.210 4.540 4.320 0.015 0.000 0.215 235 A C 0.958 178.444 177.584 -0.162 0.000 1.164 235 A CA 0.674 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 -0.383 119.958 120.400 -0.097 0.000 2.502 236 K HA 0.573 4.902 4.320 0.015 0.000 0.257 236 K C -2.097 174.510 176.600 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 1.853 121.792 119.914 0.042 0.000 2.495 237 V HA 0.375 4.504 4.120 0.015 0.000 0.298 237 V C -0.608 175.542 176.094 0.092 0.000 1.031 237 V CA -0.715 61.627 62.300 0.070 0.000 0.871 237 V CB 1.585 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 5.011 120.789 115.700 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 5.227 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 57.832 58.000 -0.029 0.000 1.038 239 F CB 1.877 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 -1.173 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 -0.275 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 -0.534 174.306 174.900 -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 -0.564 115.173 115.700 0.061 0.000 2.584 242 S HA 0.382 4.861 4.470 0.015 0.000 0.270 242 S C 1.555 176.257 174.600 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 1.202 nan 8.310 nan 0.000 0.542 243 V N 2.473 122.465 119.914 0.130 0.000 2.261 243 V HA -0.075 4.054 4.120 0.015 0.000 0.246 243 V C -0.541 175.578 176.094 0.040 0.000 1.047 243 V CA 1.794 64.147 62.300 0.089 0.000 1.015 243 V CB -2.123 29.734 31.823 0.058 0.000 0.642 243 V HN 0.721 nan 8.190 nan 0.000 0.446 244 P HA -0.166 nan 4.420 nan 0.000 0.216 244 P C 1.792 179.079 177.300 -0.023 0.000 1.157 244 P CA 2.126 65.234 63.100 0.012 0.000 0.880 244 P CB -0.200 31.521 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 -1.440 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 2.120 110.751 108.800 -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 4.261 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 1.121 57.328 56.287 -0.133 0.000 0.933 248 K CB -0.181 32.249 32.500 -0.117 0.000 0.714 248 K HN -0.079 nan 8.250 nan 0.000 0.438 249 V N 1.981 121.711 119.914 -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 1.864 63.972 62.300 -0.320 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 -0.555 118.952 119.600 -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 -0.012 120.159 120.200 -0.049 0.000 2.072 251 E HA -0.196 4.163 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 1.659 58.047 56.400 -0.021 0.000 0.801 251 E CB -0.181 29.508 29.700 -0.018 0.000 0.750 251 E HN 0.610 nan 8.360 nan 0.000 0.452 252 M N 0.470 120.039 119.600 -0.053 0.000 2.175 252 M HA -0.110 4.379 4.480 0.015 0.000 0.264 252 M C 2.383 178.637 176.300 -0.076 0.000 1.063 252 M CA 0.973 56.229 55.300 -0.074 0.000 1.119 252 M CB -0.043 32.365 32.600 -0.320 0.000 1.377 252 M HN -0.066 nan 8.290 nan 0.000 0.415 253 S N 0.788 116.441 115.700 -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 1.167 59.348 58.200 -0.031 0.000 0.974 253 S CB -0.352 62.842 63.200 -0.011 0.000 0.786 253 S HN 0.558 nan 8.310 nan 0.000 0.492 254 A N 1.934 124.763 122.820 0.015 0.000 1.969 254 A HA -0.093 4.236 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 1.181 53.233 52.037 0.025 0.000 0.635 254 A CB -0.388 18.624 19.000 0.019 0.000 0.810 254 A HN 0.459 nan 8.150 nan 0.000 0.445 255 K N -0.928 119.501 120.400 0.048 0.000 2.360 255 K HA -0.079 4.250 4.320 0.015 0.000 0.201 255 K C 0.794 177.422 176.600 0.046 0.000 1.046 255 K CA 1.492 57.813 56.287 0.056 0.000 0.940 255 K CB -0.127 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 -0.531 114.050 114.554 0.045 0.000 3.058 256 T HA 0.086 4.445 4.350 0.015 0.000 0.278 256 T C 0.072 174.795 174.700 0.037 0.000 0.974 256 T CA -0.096 62.027 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 1.471 121.409 119.914 0.040 0.000 5.297 257 V HA -0.212 3.917 4.120 0.015 0.000 0.298 257 V C 0.463 176.610 176.094 0.087 0.000 0.408 257 V CA 0.582 62.912 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 0.502 120.949 120.400 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 -0.409 55.938 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 0.557 119.624 119.070 -0.006 0.000 2.732 259 H HA 0.176 4.741 4.556 0.014 0.000 0.351 259 H C -0.327 175.014 175.328 0.023 0.000 1.090 259 H CA -0.666 55.382 56.048 -0.001 0.000 1.431 259 H CB 0.884 30.627 29.762 -0.031 0.000 1.447 259 H HN 0.097 nan 8.280 nan 0.000 0.582 260 V N 2.176 122.198 119.914 0.179 0.000 2.925 260 V HA 0.330 4.459 4.120 0.015 0.000 0.311 260 V C -0.228 176.025 176.094 0.266 0.000 1.104 260 V CA -0.822 61.589 62.300 0.184 0.000 0.954 260 V CB 2.318 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 1.510 116.153 114.554 0.149 0.000 2.971 261 T HA 0.796 5.155 4.350 0.015 0.000 0.304 261 T C -1.258 173.395 174.700 -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 0.428 nan 8.240 nan 0.000 0.451 262 L N 2.478 123.508 121.223 -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 43.915 42.059 -0.337 0.000 1.249 262 L HN 0.681 nan 8.230 nan 0.000 0.409 263 E N 4.284 124.374 120.200 -0.183 0.000 2.261 263 E HA 0.285 4.644 4.350 0.015 0.000 0.239 263 E C -0.326 176.183 176.600 -0.152 0.000 0.991 263 E CA -0.579 55.692 56.400 -0.216 0.000 0.847 263 E CB 1.368 30.932 29.700 -0.226 0.000 1.223 263 E HN 0.321 nan 8.360 nan 0.000 0.446 264 L N 0.351 121.527 121.223 -0.079 0.000 2.671 264 L HA 0.304 4.653 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 0.187 55.031 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 -2.096 106.762 108.800 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 -0.561 174.350 174.900 0.019 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 -1.556 172.742 174.900 -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 -0.049 176.518 176.600 -0.055 0.000 1.075 267 K CA -0.404 55.679 56.287 -0.340 0.000 0.843 267 K CB 0.180 32.558 32.500 -0.203 0.000 1.002 267 K HN 0.434 nan 8.250 nan 0.000 0.597 268 S N 3.671 119.362 115.700 -0.015 0.000 2.549 268 S HA 0.297 4.776 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 -0.756 57.500 58.200 0.093 0.000 1.054 268 S CB 0.604 63.891 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 -1.281 176.161 177.300 0.238 0.000 1.294 269 P CA -0.728 62.514 63.100 0.237 0.000 0.827 269 P CB 1.084 32.877 31.700 0.154 0.000 0.992 270 L N 4.940 126.320 121.223 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 0.152 0.000 1.227 270 L HN 0.242 nan 8.230 nan 0.000 0.417 271 L N 6.349 127.684 121.223 0.186 0.000 2.287 271 L HA 0.518 4.867 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 1.553 43.573 42.059 -0.065 0.000 1.217 271 L HN 0.431 nan 8.230 nan 0.000 0.420 272 I N 3.456 124.065 120.570 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 0.288 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 1.260 40.360 39.000 0.167 0.000 1.214 273 F HN 0.444 nan 8.300 nan 0.000 0.518 274 K N -0.132 120.370 120.400 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 1.782 58.112 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 1.548 122.032 120.400 0.141 0.000 2.325 275 D HA -0.040 4.609 4.640 0.015 0.000 0.225 275 D C 1.181 177.546 176.300 0.107 0.000 1.096 275 D CA -0.205 53.855 54.000 0.099 0.000 0.844 275 D CB -0.722 40.122 40.800 0.073 0.000 0.925 275 D HN 0.442 nan 8.370 nan 0.000 0.513 276 C N 0.134 119.519 119.300 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 -0.051 27.813 27.740 0.205 0.000 2.008 276 C HN 0.233 nan 8.230 nan 0.000 0.619 277 E N 0.447 120.722 120.200 0.126 0.000 2.256 277 E HA 0.286 4.645 4.350 0.015 0.000 0.243 277 E C 0.698 177.337 176.600 0.067 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 3.980 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 1.819 56.698 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 0.535 nan 8.230 nan 0.000 0.445 279 E N 0.385 120.602 120.200 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 1.932 58.338 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 0.398 nan 8.360 nan 0.000 0.451 280 N N 0.027 118.739 118.700 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 1.497 54.576 53.050 0.048 0.000 0.857 280 N CB -0.465 38.142 38.487 0.199 0.000 0.997 280 N HN 0.314 nan 8.380 nan 0.000 0.426 281 A N 0.816 123.413 122.820 -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 1.147 52.664 52.037 -0.867 0.000 0.628 281 A CB -0.688 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 0.188 120.070 119.914 -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 2.235 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 -0.137 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 1.587 57.663 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 1.169 109.913 108.800 -0.093 0.000 2.545 284 G HA2 -0.333 3.636 3.960 0.015 0.000 0.217 284 G HA3 -0.333 3.636 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 1.140 46.256 45.100 0.028 0.000 0.787 284 G HN 0.436 nan 8.290 nan 0.000 0.571 285 A N -0.012 122.719 122.820 -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 -0.483 18.587 19.000 0.117 0.000 0.820 285 A HN 0.350 nan 8.150 nan 0.000 0.451 286 L N -1.092 120.050 121.223 -0.135 0.000 1.973 286 L HA -0.105 4.244 4.340 0.015 0.000 0.208 286 L C 2.657 179.431 176.870 -0.160 0.000 1.073 286 L CA 1.908 56.694 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 0.322 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 -0.131 4.358 4.480 0.015 0.000 0.263 287 M C 2.030 178.204 176.300 -0.210 0.000 1.063 287 M CA 1.567 56.802 55.300 -0.108 0.000 1.090 287 M CB -1.325 31.244 32.600 -0.051 0.000 1.392 287 M HN 0.356 nan 8.290 nan 0.000 0.422 288 A N -0.566 122.016 122.820 -0.396 0.000 2.238 288 A HA -0.014 4.315 4.320 0.015 0.000 0.208 288 A C 1.746 179.000 177.584 -0.550 0.000 1.177 288 A CA 0.831 52.440 52.037 -0.713 0.000 0.804 288 A CB -0.325 17.863 19.000 -1.353 0.000 0.823 288 A HN 0.516 nan 8.150 nan 0.000 0.482 289 N N -2.112 116.237 118.700 -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 0.413 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 0.370 nan 8.380 nan 0.000 0.476 290 F N 1.262 121.150 119.950 -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 57.560 58.000 -0.088 0.000 1.252 290 F CB -0.085 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 0.176 121.417 121.223 0.030 0.000 2.395 291 L HA 0.271 4.620 4.340 0.015 0.000 0.269 291 L C 1.014 177.870 176.870 -0.022 0.000 1.133 291 L CA -0.196 54.651 54.840 0.012 0.000 0.812 291 L CB 0.450 42.512 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 62.772 62.100 -0.111 0.000 2.007 292 T CB -1.108 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 -1.932 117.849 119.800 -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 2.311 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 1.729 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 0.506 45.547 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 -1.039 0.000 0.933 295 Q CA -0.161 55.043 55.803 -0.998 0.000 0.995 295 Q CB 1.155 29.680 28.738 -0.356 0.000 1.191 295 Q HN 0.329 nan 8.270 nan 0.000 0.426 296 V N 0.896 120.454 119.914 -0.593 0.000 2.384 296 V HA 0.009 4.138 4.120 0.015 0.000 0.287 296 V C 1.384 177.520 176.094 0.070 0.000 1.020 296 V CA -0.726 61.507 62.300 -0.112 0.000 0.850 296 V CB 1.090 32.921 31.823 0.014 0.000 0.987 296 V HN 0.688 nan 8.190 nan 0.000 0.436 297 C N 1.640 121.137 119.300 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 1.177 60.387 59.018 0.320 0.000 1.764 297 C CB -1.741 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 -1.806 112.843 114.554 0.158 0.000 3.169 298 T HA 0.107 4.466 4.350 0.015 0.000 0.250 298 T C 0.231 175.086 174.700 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 0.579 176.100 175.510 0.017 0.000 1.197 299 N CA -0.378 52.692 53.050 0.033 0.000 0.927 299 N CB 0.487 38.911 38.487 -0.105 0.000 1.065 299 N HN 0.434 nan 8.380 nan 0.000 0.461 300 G N 0.899 109.609 108.800 -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 1.176 175.988 174.900 -0.145 0.000 0.829 300 G CA -0.461 44.585 45.100 -0.089 0.000 1.983 300 G HN 0.672 nan 8.290 nan 0.000 0.616 301 T N -1.912 112.581 114.554 -0.102 0.000 3.155 301 T HA 0.015 4.374 4.350 0.015 0.000 0.264 301 T C 1.203 175.860 174.700 -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 68.983 68.868 -0.096 0.000 0.921 301 T HN 0.335 nan 8.240 nan 0.000 0.533 302 R N 1.169 121.655 120.500 -0.023 0.000 2.494 302 R HA 0.485 4.834 4.340 0.015 0.000 0.284 302 R C -1.509 174.782 176.300 -0.016 0.000 1.525 302 R CA -0.439 55.644 56.100 -0.028 0.000 1.460 302 R CB 0.789 31.150 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 -0.312 175.689 176.094 -0.156 0.000 1.047 303 V CA -0.193 62.077 62.300 -0.051 0.000 0.937 303 V CB 0.380 32.187 31.823 -0.028 0.000 0.999 303 V HN 0.437 nan 8.190 nan 0.000 0.472 304 F N 4.166 124.105 119.950 -0.018 0.000 2.385 304 F HA 0.546 5.083 4.527 0.016 0.000 0.360 304 F C 0.193 176.046 175.800 0.089 0.000 1.122 304 F CA -0.628 57.399 58.000 0.045 0.000 1.090 304 F CB 1.509 40.471 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 -0.074 175.847 176.094 -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 -0.664 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 0.191 55.269 55.803 -1.209 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 1.091 177.311 176.300 -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 0.138 120.259 120.200 -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 1.898 58.256 56.400 -0.070 0.000 0.804 308 E CB -0.289 29.379 29.700 -0.054 0.000 0.740 308 E HN 0.731 nan 8.360 nan 0.000 0.454 309 I N -2.553 117.982 120.570 -0.059 0.000 3.883 309 I HA 0.193 4.372 4.170 0.015 0.000 0.326 309 I C 1.829 177.969 176.117 0.038 0.000 1.283 309 I CA -0.057 61.239 61.300 -0.007 0.000 1.161 309 I CB -0.003 37.993 38.000 -0.006 0.000 1.012 309 I HN -0.004 nan 8.210 nan 0.000 0.421 310 M N 2.895 122.496 119.600 0.000 0.000 2.113 310 M HA -0.129 4.360 4.480 0.015 0.000 0.255 310 M C -0.946 175.417 176.300 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 1.885 65.004 63.100 0.032 0.000 0.927 311 P CB -0.581 31.127 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 2.166 178.186 176.000 0.034 0.000 0.984 312 Q CA 1.748 57.568 55.803 0.027 0.000 0.869 312 Q CB -1.801 26.957 28.738 0.033 0.000 0.906 312 Q HN 0.272 nan 8.270 nan 0.000 0.426 313 F N 1.715 121.641 119.950 -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 1.065 59.036 58.000 -0.048 0.000 1.189 313 F CB -0.550 38.417 39.000 -0.055 0.000 0.983 313 F HN 0.097 nan 8.300 nan 0.000 0.471 314 L N 1.079 122.215 121.223 -0.145 0.000 2.189 314 L HA -0.200 4.149 4.340 0.015 0.000 0.214 314 L C 2.328 179.069 176.870 -0.215 0.000 1.097 314 L CA 2.058 56.770 54.840 -0.214 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 -0.784 119.323 120.200 -0.155 0.000 2.008 315 E HA -0.281 4.078 4.350 0.015 0.000 0.191 315 E C 2.026 178.535 176.600 -0.153 0.000 0.986 315 E CA 1.115 57.444 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 -0.152 4.207 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 1.029 57.328 56.400 -0.169 0.000 0.810 316 E CB -0.270 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 2.001 177.977 176.094 -0.196 0.000 1.053 317 V CA 1.258 63.346 62.300 -0.354 0.000 1.068 317 V CB 0.103 31.522 31.823 -0.673 0.000 0.689 317 V HN 0.241 nan 8.190 nan 0.000 0.462 318 V N 0.334 120.142 119.914 -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 2.280 64.513 62.300 -0.110 0.000 1.049 318 V CB -0.664 31.103 31.823 -0.093 0.000 0.672 318 V HN 0.592 nan 8.190 nan 0.000 0.457 319 K N 0.215 120.555 120.400 -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 1.395 57.633 56.287 -0.082 0.000 0.932 319 K CB -0.145 32.309 32.500 -0.078 0.000 0.716 319 K HN 0.216 nan 8.250 nan 0.000 0.439 320 R N 0.238 120.687 120.500 -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 1.860 57.919 56.100 -0.069 0.000 0.959 320 R CB -1.137 29.125 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 1.348 121.672 120.400 -0.127 0.000 2.217 322 K HA 0.204 4.533 4.320 0.015 0.000 0.202 322 K C 2.244 178.786 176.600 -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 1.330 124.098 122.820 -0.087 0.000 2.252 323 A HA 0.086 4.415 4.320 0.015 0.000 0.207 323 A C 0.683 178.224 177.584 -0.071 0.000 1.194 323 A CA 0.059 52.054 52.037 -0.069 0.000 0.809 323 A CB -0.482 18.485 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 -0.365 175.705 176.117 -0.078 0.000 1.051 324 I CA -0.331 60.911 61.300 -0.096 0.000 1.375 324 I CB 1.573 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 0.109 4.238 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 -0.343 61.934 62.300 -0.038 0.000 0.966 325 V CB 0.958 32.766 31.823 -0.026 0.000 1.015 325 V HN 0.372 nan 8.190 nan 0.000 0.477 326 V N 5.383 125.282 119.914 -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 32.709 31.823 0.046 0.000 0.982 326 V HN 1.069 nan 8.190 nan 0.000 0.452 327 G N 3.444 112.290 108.800 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 -1.175 173.817 174.900 0.153 0.000 1.148 327 G CA -0.501 44.591 45.100 -0.012 0.000 1.057 327 G HN 0.510 nan 8.290 nan 0.000 0.511 328 D N 2.406 122.843 120.400 0.061 0.000 2.382 328 D HA 0.209 4.858 4.640 0.015 0.000 0.259 328 D C -0.682 175.661 176.300 0.072 0.000 1.224 328 D CA -1.294 52.755 54.000 0.082 0.000 0.894 328 D CB 1.718 42.536 40.800 0.029 0.000 1.127 328 D HN 0.040 nan 8.370 nan 0.000 0.487 329 P HA -0.157 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 32.178 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 55.013 54.840 0.002 0.000 0.892 330 L CB -1.100 40.957 42.059 -0.003 0.000 1.039 330 L HN -0.111 nan 8.230 nan 0.000 0.442 331 L N -1.274 119.955 121.223 0.009 0.000 2.307 331 L HA 0.242 4.592 4.340 0.015 0.000 0.282 331 L C 1.769 178.644 176.870 0.009 0.000 1.051 331 L CA 0.395 55.238 54.840 0.006 0.000 0.804 331 L CB 1.473 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 -1.407 113.151 114.554 0.006 0.000 2.951 332 T HA -0.085 4.274 4.350 0.015 0.000 0.268 332 T C 1.077 175.786 174.700 0.015 0.000 1.073 332 T CA 1.047 63.154 62.100 0.011 0.000 1.134 332 T CB -0.129 68.744 68.868 0.008 0.000 0.884 332 T HN 0.647 nan 8.240 nan 0.000 0.479 333 E N 1.398 121.603 120.200 0.009 0.000 2.481 333 E HA 0.021 4.380 4.350 0.015 0.000 0.195 333 E C 0.102 176.705 176.600 0.007 0.000 1.047 333 E CA 0.144 56.548 56.400 0.007 0.000 0.867 333 E CB -0.735 28.964 29.700 -0.001 0.000 0.858 333 E HN 0.373 nan 8.360 nan 0.000 0.513 334 T N 1.984 116.544 114.554 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 -0.278 61.831 62.100 0.016 0.000 1.127 334 T CB 1.280 70.165 68.868 0.029 0.000 0.952 334 T HN 0.019 nan 8.240 nan 0.000 0.540 335 R N 1.343 121.851 120.500 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 0.017 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 -0.544 119.069 119.600 0.022 0.000 2.333 336 M HA 0.408 4.897 4.480 0.015 0.000 0.286 336 M C -0.964 175.375 176.300 0.065 0.000 1.113 336 M CA -0.503 54.812 55.300 0.025 0.000 0.959 336 M CB 1.972 34.573 32.600 0.002 0.000 1.776 336 M HN 0.092 nan 8.290 nan 0.000 0.492 337 G N 1.867 110.680 108.800 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 -0.216 174.570 174.900 -0.190 0.000 1.402 337 G CA -0.393 44.699 45.100 -0.013 0.000 1.046 337 G HN 0.847 nan 8.290 nan 0.000 0.565 338 G N -1.414 107.057 108.800 -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 0.628 121.751 121.223 -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 -0.380 120.094 120.570 -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 4.790 4.470 0.015 0.000 0.271 341 S C 0.406 174.503 174.600 -0.838 0.000 1.161 341 S CA -0.702 57.238 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 1.331 120.946 120.400 -1.308 0.000 2.009 342 K HA 0.129 4.458 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 -1.715 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 2.116 178.092 176.000 -0.039 0.000 0.978 344 Q CA 1.202 56.966 55.803 -0.066 0.000 0.844 344 Q CB -1.165 27.505 28.738 -0.113 0.000 0.898 344 Q HN 0.202 nan 8.270 nan 0.000 0.426 345 L N 1.729 122.883 121.223 -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 -0.731 41.262 42.059 -0.109 0.000 0.891 345 L HN 0.093 nan 8.230 nan 0.000 0.431 346 D N -0.454 119.917 120.400 -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 1.334 55.329 54.000 -0.009 0.000 0.834 346 D CB -0.076 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 0.955 121.406 120.400 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 0.773 57.184 56.287 0.206 0.000 0.933 347 K CB 0.021 32.653 32.500 0.219 0.000 0.714 347 K HN -0.105 nan 8.250 nan 0.000 0.438 348 V N 1.952 121.997 119.914 0.218 0.000 2.343 348 V HA -0.256 3.873 4.120 0.015 0.000 0.247 348 V C 2.346 178.566 176.094 0.211 0.000 1.051 348 V CA 1.586 63.994 62.300 0.181 0.000 1.036 348 V CB -0.362 31.503 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 1.723 56.629 54.840 0.109 0.000 0.745 349 L CB -1.277 40.819 42.059 0.062 0.000 0.898 349 L HN 0.463 nan 8.230 nan 0.000 0.433 350 G N -0.226 108.647 108.800 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 1.389 176.316 174.900 0.046 0.000 1.136 350 G CA 0.765 45.896 45.100 0.052 0.000 0.759 350 G HN 0.186 nan 8.290 nan 0.000 0.562 351 F N 0.443 120.414 119.950 0.034 0.000 2.102 351 F HA -0.062 4.474 4.527 0.016 0.000 0.298 351 F C 2.912 178.732 175.800 0.033 0.000 1.105 351 F CA 1.054 59.078 58.000 0.040 0.000 1.239 351 F CB -0.607 38.425 39.000 0.054 0.000 0.991 351 F HN -0.018 nan 8.300 nan 0.000 0.474 352 V N -0.010 120.043 119.914 0.232 0.000 2.332 352 V HA -0.343 3.786 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 1.697 64.077 62.300 0.133 0.000 1.038 352 V CB -1.482 30.399 31.823 0.098 0.000 0.651 352 V HN 0.379 nan 8.190 nan 0.000 0.450 353 A N -0.719 122.141 122.820 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 2.257 54.313 52.037 0.032 0.000 0.622 353 A CB -0.682 18.329 19.000 0.018 0.000 0.831 353 A HN 0.553 nan 8.150 nan 0.000 0.444 354 Q N -0.759 119.044 119.800 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 1.026 56.822 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 2.165 125.013 122.820 0.047 0.000 1.845 355 A HA -0.239 4.090 4.320 0.015 0.000 0.215 355 A C 1.962 179.568 177.584 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 -0.077 120.342 120.400 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 57.770 56.287 0.021 0.000 0.940 356 K CB -0.234 32.277 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 0.992 177.597 176.600 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 -0.791 119.418 120.200 0.014 0.000 2.498 358 E HA 0.096 4.455 4.350 0.015 0.000 0.203 358 E C 0.735 177.345 176.600 0.017 0.000 1.013 358 E CA 0.212 56.621 56.400 0.016 0.000 0.927 358 E CB 1.110 30.823 29.700 0.022 0.000 1.012 358 E HN 0.408 nan 8.360 nan 0.000 0.482 359 G N 1.426 110.235 108.800 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 0.539 175.449 174.900 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 4.868 4.320 0.015 0.000 0.233 360 A C 0.790 178.384 177.584 0.016 0.000 1.060 360 A CA 0.865 52.914 52.037 0.020 0.000 0.759 360 A CB 0.263 19.281 19.000 0.030 0.000 0.995 360 A HN 0.652 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 -1.562 174.743 176.300 0.009 0.000 1.026 361 R CA -0.402 55.704 56.100 0.009 0.000 0.909 361 R CB 0.837 31.140 30.300 0.005 0.000 1.153 361 R HN 0.495 nan 8.270 nan 0.000 0.515 362 V N 7.365 127.285 119.914 0.010 0.000 2.421 362 V HA 0.037 4.166 4.120 0.015 0.000 0.271 362 V C 1.699 177.793 176.094 -0.001 0.000 1.031 362 V CA 0.192 62.497 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 4.537 125.757 121.223 -0.004 0.000 2.418 363 L HA 0.192 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 -3.239 116.048 119.300 -0.022 0.000 3.068 364 C HA 0.621 5.090 4.460 0.015 0.000 0.344 364 C C 0.443 175.410 174.990 -0.037 0.000 1.223 364 C CA -0.839 58.158 59.018 -0.036 0.000 1.153 364 C CB 0.533 28.241 27.740 -0.054 0.000 1.396 364 C HN 0.641 nan 8.230 nan 0.000 0.485 365 G N 0.717 109.489 108.800 -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 1.235 176.124 174.900 -0.018 0.000 1.340 365 G CA 1.580 46.652 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 0.004 174.916 174.900 0.020 0.000 0.988 366 G CA 1.399 46.509 45.100 0.017 0.000 0.659 366 G HN 1.363 nan 8.290 nan 0.000 0.522 367 E N -0.159 120.048 120.200 0.012 0.000 2.392 367 E HA 0.527 4.886 4.350 0.015 0.000 0.269 367 E C -2.759 173.856 176.600 0.024 0.000 0.924 367 E CA -2.352 54.058 56.400 0.016 0.000 0.784 367 E CB 2.082 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 -0.144 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 -0.681 120.581 121.223 0.064 0.000 2.491 369 L HA 0.655 5.004 4.340 0.015 0.000 0.254 369 L C -1.155 175.713 176.870 -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 0.242 nan 8.230 nan 0.000 0.409 370 T N 2.117 116.618 114.554 -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 1.090 69.919 68.868 -0.064 0.000 1.017 370 T HN 0.358 nan 8.240 nan 0.000 0.471 371 P HA 0.229 nan 4.420 nan 0.000 0.268 371 P C 0.843 178.022 177.300 -0.202 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 -0.124 115.486 115.700 -0.152 0.000 2.353 372 S HA -0.143 4.336 4.470 0.015 0.000 0.222 372 S C 0.815 175.358 174.600 -0.094 0.000 1.035 372 S CA 1.086 59.224 58.200 -0.103 0.000 1.025 372 S CB -0.708 62.442 63.200 -0.083 0.000 0.902 372 S HN 0.679 nan 8.310 nan 0.000 0.440 373 D N 2.082 122.422 120.400 -0.101 0.000 2.581 373 D HA -0.009 4.640 4.640 0.015 0.000 0.238 373 D C -1.906 174.350 176.300 -0.073 0.000 1.145 373 D CA -1.216 52.737 54.000 -0.078 0.000 0.866 373 D CB 0.949 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 -0.156 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 1.666 64.745 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 -0.938 119.450 120.400 -0.020 0.000 2.365 375 K HA -0.003 4.327 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 0.990 57.275 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 1.078 122.296 121.223 -0.009 0.000 2.653 376 L HA 0.178 4.527 4.340 0.015 0.000 0.231 376 L C 1.303 178.177 176.870 0.006 0.000 1.153 376 L CA 0.673 55.525 54.840 0.021 0.000 0.933 376 L CB 0.162 42.147 42.059 -0.122 0.000 1.175 376 L HN -0.061 nan 8.230 nan 0.000 0.473 377 K N 0.260 120.659 120.400 -0.003 0.000 2.147 377 K HA -0.056 4.273 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 1.309 57.599 56.287 0.006 0.000 0.936 377 K CB -0.307 32.194 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 0.632 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 -0.675 174.291 174.900 0.110 0.000 1.219 379 G CA -0.168 44.978 45.100 0.077 0.000 0.866 379 G HN 0.240 nan 8.290 nan 0.000 0.572 380 Y N 0.377 120.508 120.300 -0.281 0.000 2.849 380 Y HA 0.390 4.949 4.550 0.015 0.000 0.356 380 Y C -0.261 175.470 175.900 -0.280 0.000 1.236 380 Y CA -1.676 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 2.210 122.211 119.950 0.085 0.000 2.399 381 F HA 0.704 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 -1.209 56.809 58.000 0.029 0.000 1.053 381 F CB 1.364 40.362 39.000 -0.003 0.000 1.209 381 F HN 0.143 nan 8.300 nan 0.000 0.502 382 M N 0.121 119.834 119.600 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 0.575 116.279 115.700 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 -0.183 176.980 177.300 -0.229 0.000 1.172 384 P CA -0.055 62.825 63.100 -0.367 0.000 0.760 384 P CB -0.039 31.137 31.700 -0.872 0.000 0.773 385 C N 4.621 123.886 119.300 -0.058 0.000 2.376 385 C HA 0.541 5.010 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 0.595 28.358 27.740 0.039 0.000 2.319 385 C HN 0.407 nan 8.230 nan 0.000 0.515 386 V N 7.836 127.789 119.914 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 3.406 124.651 121.223 0.038 0.000 2.439 387 L HA 0.637 4.986 4.340 0.015 0.000 0.261 387 L C -0.183 176.694 176.870 0.012 0.000 1.153 387 L CA 0.053 54.907 54.840 0.024 0.000 0.808 387 L CB 1.206 43.281 42.059 0.026 0.000 1.126 387 L HN 0.665 nan 8.230 nan 0.000 0.460 388 D N -0.123 120.282 120.400 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 0.003 0.000 0.826 388 D CB 1.176 41.978 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 4.608 4.740 0.015 0.000 0.249 389 N C -1.439 174.071 175.510 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 0.780 175.764 174.990 -0.009 0.000 1.191 390 C CA -0.760 58.250 59.018 -0.014 0.000 2.114 390 C CB 1.538 29.255 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 1.298 31.617 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 55.496 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 4.587 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 -0.117 53.920 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 0.039 4.528 4.480 0.015 0.000 0.344 394 M C 1.308 177.657 176.300 0.083 0.000 1.170 394 M CA 0.097 55.433 55.300 0.059 0.000 1.135 394 M CB 0.990 33.622 32.600 0.052 0.000 1.574 394 M HN -0.219 nan 8.290 nan 0.000 0.452 395 T N 1.563 116.167 114.554 0.083 0.000 2.737 395 T HA -0.185 4.174 4.350 0.015 0.000 0.269 395 T C 1.685 176.497 174.700 0.187 0.000 1.040 395 T CA 1.996 64.165 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 0.719 120.126 119.300 0.179 0.000 2.432 396 C HA 0.122 4.591 4.460 0.015 0.000 0.280 396 C C 2.496 177.566 174.990 0.133 0.000 1.353 396 C CA -0.205 58.939 59.018 0.210 0.000 1.766 396 C CB -1.410 26.433 27.740 0.171 0.000 1.924 396 C HN 0.323 nan 8.230 nan 0.000 0.509 397 V N 0.968 120.945 119.914 0.104 0.000 2.788 397 V HA -0.035 4.094 4.120 0.015 0.000 0.251 397 V C 2.663 178.830 176.094 0.122 0.000 1.068 397 V CA 1.733 64.080 62.300 0.079 0.000 1.090 397 V CB -0.562 31.292 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 0.552 177.305 176.600 0.255 0.000 1.051 398 K CA 0.309 56.711 56.287 0.191 0.000 0.977 398 K CB 0.218 32.814 32.500 0.161 0.000 0.792 398 K HN 0.378 nan 8.250 nan 0.000 0.469 399 E N 1.757 122.110 120.200 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 3.058 123.342 120.200 0.140 0.000 2.180 400 E HA 0.033 4.392 4.350 0.015 0.000 0.283 400 E C 0.816 177.352 176.600 -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 1.083 177.093 176.117 -0.179 0.000 1.078 401 I CA 0.906 61.824 61.300 -0.636 0.000 1.367 401 I CB -0.759 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 0.965 120.791 119.950 -0.206 0.000 2.926 402 F HA -0.020 4.516 4.527 0.014 0.000 0.311 402 F C 0.257 176.052 175.800 -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 0.213 nan 8.300 nan 0.000 0.561 403 G N 0.151 108.893 108.800 -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 -3.039 171.848 174.900 -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 0.241 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 0.044 63.295 63.100 0.252 0.000 1.081 404 P CB 0.263 32.079 31.700 0.193 0.000 1.975 405 V N 4.421 124.430 119.914 0.158 0.000 2.447 405 V HA 0.332 4.461 4.120 0.015 0.000 0.292 405 V C 0.177 176.298 176.094 0.045 0.000 1.021 405 V CA -0.621 61.750 62.300 0.118 0.000 0.850 405 V CB 2.079 33.932 31.823 0.049 0.000 1.005 405 V HN 0.368 nan 8.190 nan 0.000 0.426 406 M N 3.969 123.614 119.600 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 1.190 33.774 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 4.934 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 -0.530 175.497 176.094 -0.111 0.000 1.047 408 V CA -0.569 61.700 62.300 -0.052 0.000 0.952 408 V CB 0.949 32.805 31.823 0.056 0.000 0.988 408 V HN 0.630 nan 8.190 nan 0.000 0.469 409 L N 6.897 128.003 121.223 -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 62.839 63.100 0.043 0.000 0.811 410 P CB 1.450 33.152 31.700 0.003 0.000 1.035 411 F N -0.933 119.034 119.950 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 0.695 39.744 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 0.800 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 -1.718 113.034 114.554 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 58.113 56.400 0.254 0.000 0.803 414 E CB -0.062 29.782 29.700 0.240 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 1.158 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 2.219 178.767 176.600 -0.088 0.000 1.007 416 E CA 2.256 58.662 56.400 0.011 0.000 0.816 416 E CB -0.031 29.723 29.700 0.090 0.000 0.762 416 E HN 0.265 nan 8.360 nan 0.000 0.451 417 V N 0.180 119.954 119.914 -0.233 0.000 2.392 417 V HA -0.266 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 1.592 63.585 62.300 -0.511 0.000 1.051 417 V CB -0.994 30.219 31.823 -1.017 0.000 0.658 417 V HN 0.229 nan 8.190 nan 0.000 0.455 418 L N 0.866 121.932 121.223 -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 -0.808 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 0.263 120.005 119.800 -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 1.573 57.343 55.803 -0.055 0.000 0.850 419 Q CB -0.288 28.435 28.738 -0.024 0.000 0.901 419 Q HN 0.350 nan 8.270 nan 0.000 0.429 420 R N 0.267 120.700 120.500 -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 -0.142 0.000 1.114 420 R CA 1.001 57.051 56.100 -0.084 0.000 0.972 420 R CB -0.488 29.775 30.300 -0.061 0.000 0.869 420 R HN 0.409 nan 8.270 nan 0.000 0.437 421 A N 1.931 124.549 122.820 -0.336 0.000 1.858 421 A HA -0.155 4.175 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 1.453 53.306 52.037 -0.307 0.000 0.617 421 A CB -0.431 18.336 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 0.377 175.904 175.510 0.028 0.000 1.109 422 N CA 0.306 53.354 53.050 -0.003 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 -0.966 113.643 114.554 0.092 0.000 2.840 424 T HA 0.076 4.435 4.350 0.015 0.000 0.317 424 T C 0.709 175.459 174.700 0.083 0.000 1.401 424 T CA -0.523 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 1.550 116.109 114.554 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 68.241 68.868 -0.213 0.000 0.917 425 T HN 0.386 nan 8.240 nan 0.000 0.499 426 F N 0.588 120.576 119.950 0.062 0.000 2.368 426 F HA 0.566 5.101 4.527 0.014 0.000 0.308 426 F C 1.548 177.394 175.800 0.076 0.000 1.198 426 F CA -0.220 57.820 58.000 0.066 0.000 1.130 426 F CB 0.898 39.939 39.000 0.070 0.000 1.300 426 F HN -0.005 nan 8.300 nan 0.000 0.537 427 G N 0.838 109.832 108.800 0.324 0.000 4.713 427 G HA2 0.192 4.162 3.960 0.015 0.000 0.227 427 G HA3 0.192 4.162 3.960 0.015 0.000 0.227 427 G C -0.212 174.762 174.900 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 0.570 121.861 121.223 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 2.170 57.060 54.840 0.085 0.000 0.766 428 L CB -0.031 42.100 42.059 0.120 0.000 0.930 428 L HN 0.482 nan 8.230 nan 0.000 0.453 429 A N -2.021 120.825 122.820 0.044 0.000 2.504 429 A HA 0.852 5.181 4.320 0.015 0.000 0.285 429 A C -0.942 176.653 177.584 0.017 0.000 1.261 429 A CA 0.203 52.232 52.037 -0.014 0.000 0.741 429 A CB 1.176 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 -2.045 113.653 115.700 -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 -0.778 108.165 108.800 0.238 0.000 2.690 431 G HA2 0.806 4.775 3.960 0.015 0.000 0.291 431 G HA3 0.806 4.775 3.960 0.015 0.000 0.291 431 G C -1.731 173.277 174.900 0.181 0.000 1.403 431 G CA -0.480 44.766 45.100 0.244 0.000 0.864 431 G HN 1.731 nan 8.290 nan 0.000 0.480 432 V N 0.039 119.997 119.914 0.075 0.000 2.752 432 V HA 0.724 4.853 4.120 0.015 0.000 0.302 432 V C -1.909 174.176 176.094 -0.014 0.000 1.133 432 V CA -0.951 61.422 62.300 0.123 0.000 0.919 432 V CB 1.518 33.404 31.823 0.103 0.000 1.026 432 V HN 0.613 nan 8.190 nan 0.000 0.429 433 F N 5.120 125.176 119.950 0.178 0.000 2.375 433 F HA 0.822 5.359 4.527 0.017 0.000 0.361 433 F C 0.432 176.350 175.800 0.195 0.000 1.117 433 F CA 0.014 58.098 58.000 0.140 0.000 1.037 433 F CB 2.002 41.060 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 0.267 174.993 174.700 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 0.378 120.881 120.500 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 -0.020 56.076 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 0.663 nan 8.270 nan 0.000 0.550 436 D N 1.346 121.699 120.400 -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 -0.076 53.872 54.000 -0.086 0.000 0.870 436 D CB 0.629 41.369 40.800 -0.100 0.000 1.076 436 D HN -0.010 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 -0.383 3.796 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 1.500 62.769 61.300 -0.052 0.000 1.340 437 I CB 0.100 38.115 38.000 0.024 0.000 1.036 437 I HN 0.399 nan 8.210 nan 0.000 0.417 438 S N 0.241 115.924 115.700 -0.029 0.000 2.355 438 S HA -0.202 4.277 4.470 0.015 0.000 0.222 438 S C 1.943 176.498 174.600 -0.074 0.000 1.031 438 S CA 1.489 59.679 58.200 -0.017 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 1.599 122.012 120.500 -0.145 0.000 2.081 439 R HA -0.075 4.274 4.340 0.015 0.000 0.235 439 R C 2.251 178.414 176.300 -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 2.000 179.424 177.584 -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 17.425 19.000 -0.446 0.000 0.843 440 A HN 0.559 nan 8.150 nan 0.000 0.448 441 H N -0.748 118.279 119.070 -0.071 0.000 2.352 441 H HA -0.150 4.416 4.556 0.017 0.000 0.299 441 H C 2.233 177.527 175.328 -0.056 0.000 1.097 441 H CA 1.839 57.851 56.048 -0.059 0.000 1.311 441 H CB -0.441 29.291 29.762 -0.049 0.000 1.377 441 H HN 0.586 nan 8.280 nan 0.000 0.504 442 R N 0.855 121.378 120.500 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 57.853 56.100 0.003 0.000 0.943 442 R CB -0.267 30.018 30.300 -0.024 0.000 0.846 442 R HN 0.072 nan 8.270 nan 0.000 0.431 443 V N 1.147 121.033 119.914 -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 1.802 64.084 62.300 -0.031 0.000 1.049 443 V CB -0.773 31.041 31.823 -0.016 0.000 0.662 443 V HN 0.572 nan 8.190 nan 0.000 0.455 444 A N 0.342 123.141 122.820 -0.035 0.000 1.865 444 A HA -0.176 4.153 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 2.293 54.307 52.037 -0.037 0.000 0.623 444 A CB -0.988 18.001 19.000 -0.018 0.000 0.826 444 A HN 0.585 nan 8.150 nan 0.000 0.444 445 A N -0.081 122.740 122.820 0.002 0.000 1.978 445 A HA -0.204 4.125 4.320 0.015 0.000 0.220 445 A C 1.868 179.456 177.584 0.006 0.000 1.170 445 A CA 1.816 53.857 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 -0.706 117.992 118.700 -0.003 0.000 2.415 446 N HA 0.061 4.810 4.740 0.015 0.000 0.176 446 N C -0.120 175.385 175.510 -0.009 0.000 1.042 446 N CA 0.151 53.200 53.050 -0.002 0.000 0.902 446 N CB -0.217 38.264 38.487 -0.009 0.000 0.986 446 N HN 0.270 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 0.816 177.668 176.870 -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 3.241 123.442 120.200 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 0.082 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 -0.214 122.419 122.820 -0.311 0.000 2.532 449 A HA 0.671 5.000 4.320 0.015 0.000 0.290 449 A C 0.976 177.915 177.584 -1.074 0.000 1.143 449 A CA -0.468 51.292 52.037 -0.463 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 -0.840 107.491 108.800 -0.781 0.000 2.623 450 G HA2 0.388 4.357 3.960 0.015 0.000 0.214 450 G HA3 0.388 4.357 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 1.361 46.087 45.100 -0.623 0.000 0.794 450 G HN 0.795 nan 8.290 nan 0.000 0.535 451 T N -0.777 113.590 114.554 -0.311 0.000 2.952 451 T HA 0.435 4.794 4.350 0.015 0.000 0.305 451 T C -1.551 172.875 174.700 -0.457 0.000 1.064 451 T CA -0.476 61.409 62.100 -0.358 0.000 1.008 451 T CB 2.183 70.841 68.868 -0.350 0.000 1.078 451 T HN -0.002 nan 8.240 nan 0.000 0.459 452 C N 4.329 123.328 119.300 -0.503 0.000 2.432 452 C HA 0.685 5.155 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 -0.930 26.672 27.740 -0.231 0.000 1.964 452 C HN 0.896 nan 8.230 nan 0.000 0.444 453 Y N 5.049 125.195 120.300 -0.257 0.000 2.299 453 Y HA 0.615 5.175 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 57.353 58.100 -0.277 0.000 1.234 453 Y CB 0.711 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 3.931 124.440 120.570 -0.101 0.000 2.390 454 I HA 0.189 4.368 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 -0.582 60.590 61.300 -0.213 0.000 1.151 454 I CB 0.803 38.701 38.000 -0.170 0.000 1.293 454 I HN 0.746 nan 8.210 nan 0.000 0.458 455 N N 2.656 120.943 118.700 -0.688 0.000 2.754 455 N HA -0.169 4.580 4.740 0.015 0.000 0.248 455 N C -0.217 175.003 175.510 -0.483 0.000 1.093 455 N CA 1.333 53.869 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 -2.003 112.251 114.554 -0.499 0.000 2.660 456 T HA 0.567 4.927 4.350 0.015 0.000 0.299 456 T C -2.458 172.253 174.700 0.018 0.000 1.763 456 T CA -0.495 61.598 62.100 -0.012 0.000 0.959 456 T CB 0.798 69.642 68.868 -0.040 0.000 1.935 456 T HN 0.151 nan 8.240 nan 0.000 0.470 457 Y N -0.286 119.838 120.300 -0.293 0.000 2.661 457 Y HA 0.429 4.989 4.550 0.018 0.000 0.339 457 Y C 0.442 175.878 175.900 -0.774 0.000 1.186 457 Y CA 0.267 57.941 58.100 -0.709 0.000 1.137 457 Y CB 0.980 39.292 38.460 -0.247 0.000 1.354 457 Y HN 0.927 nan 8.280 nan 0.000 0.469 458 S N 1.460 116.558 115.700 -1.003 0.000 3.084 458 S HA -0.170 4.310 4.470 0.015 0.000 0.277 458 S C -0.282 174.113 174.600 -0.342 0.000 1.295 458 S CA 0.935 58.890 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 1.956 122.275 120.570 -0.419 0.000 2.496 459 I HA 0.332 4.511 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 0.460 61.679 61.300 -0.136 0.000 1.404 459 I CB 1.142 39.104 38.000 -0.064 0.000 1.403 459 I HN 0.105 nan 8.210 nan 0.000 0.539 460 S N 7.027 122.696 115.700 -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 63.855 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 0.854 32.474 31.700 -0.135 0.000 0.876 462 V N -0.330 119.353 119.914 -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 -0.814 0.000 1.082 462 V CA 1.236 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 1.797 121.638 120.200 -0.599 0.000 2.265 463 E HA -0.001 4.359 4.350 0.015 0.000 0.196 463 E C 0.874 177.335 176.600 -0.233 0.000 0.996 463 E CA 1.208 57.350 56.400 -0.429 0.000 0.832 463 E CB -0.390 29.191 29.700 -0.198 0.000 0.756 463 E HN 0.836 nan 8.360 nan 0.000 0.491 464 V N -3.019 116.768 119.914 -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 1.394 121.294 119.950 -0.084 0.000 2.607 466 F HA 0.717 5.252 4.527 0.013 0.000 0.322 466 F C -0.562 175.213 175.800 -0.042 0.000 1.176 466 F CA -0.154 57.797 58.000 -0.081 0.000 0.977 466 F CB 1.268 40.206 39.000 -0.103 0.000 1.242 466 F HN 0.535 nan 8.300 nan 0.000 0.465 467 G N 2.288 110.735 108.800 -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 -1.259 173.479 174.900 -0.270 0.000 1.339 467 G CA -0.219 44.507 45.100 -0.623 0.000 0.803 467 G HN 1.053 nan 8.290 nan 0.000 0.482 468 G N -1.841 106.875 108.800 -0.139 0.000 2.552 468 G HA2 0.621 4.591 3.960 0.015 0.000 0.318 468 G HA3 0.621 4.591 3.960 0.015 0.000 0.318 468 G C -1.590 173.492 174.900 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 -1.029 57.097 58.100 0.044 0.000 1.080 469 Y CB 1.989 40.472 38.460 0.038 0.000 1.284 469 Y HN 0.859 nan 8.280 nan 0.000 0.485 470 K N -0.155 120.341 120.400 0.161 0.000 1.931 470 K HA -0.308 4.021 4.320 0.015 0.000 0.126 470 K C 0.523 177.171 176.600 0.081 0.000 1.372 470 K CA 1.985 58.332 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 1.081 120.705 119.600 0.039 0.000 2.581 471 M HA 0.039 4.528 4.480 0.015 0.000 0.224 471 M C 0.682 177.004 176.300 0.037 0.000 1.171 471 M CA 0.486 55.779 55.300 -0.011 0.000 0.993 471 M CB 0.227 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 0.366 116.135 115.700 0.116 0.000 2.575 472 S HA 0.375 4.854 4.470 0.015 0.000 0.215 472 S C 0.887 175.494 174.600 0.011 0.000 0.966 472 S CA 0.401 58.694 58.200 0.154 0.000 0.911 472 S CB 0.264 63.587 63.200 0.206 0.000 0.780 472 S HN 0.790 nan 8.310 nan 0.000 0.514 473 G N 1.517 110.281 108.800 -0.061 0.000 2.422 473 G HA2 0.139 4.108 3.960 0.015 0.000 0.607 473 G HA3 0.139 4.108 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 44.367 45.100 -0.268 0.000 0.992 473 G HN 0.537 nan 8.290 nan 0.000 0.499 474 F N -2.065 117.850 119.950 -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 -0.528 57.420 58.000 -0.087 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 1.355 110.172 108.800 0.027 0.000 2.612 475 G HA2 0.346 4.315 3.960 0.015 0.000 0.686 475 G HA3 0.346 4.315 3.960 0.015 0.000 0.686 475 G C -1.760 172.811 174.900 -0.547 0.000 1.274 475 G CA -1.202 43.539 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 -0.681 175.531 176.300 -0.147 0.000 0.995 476 R CA -0.908 55.017 56.100 -0.292 0.000 0.917 476 R CB 2.040 32.313 30.300 -0.045 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 -0.925 175.661 176.600 -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 0.739 119.423 118.700 -0.026 0.000 5.411 478 N HA -0.169 4.580 4.740 0.015 0.000 0.369 478 N C -0.012 175.534 175.510 0.060 0.000 1.223 478 N CA 1.487 54.489 53.050 -0.080 0.000 2.614 478 N CB -0.742 37.484 38.487 -0.436 0.000 0.550 478 N HN 1.026 nan 8.380 nan 0.000 0.736 479 G N -0.315 108.454 108.800 -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 1.860 57.801 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 1.198 nan 8.270 nan 0.000 0.439 481 A N 1.390 124.331 122.820 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 2.322 54.490 52.037 0.218 0.000 0.647 481 A CB -1.379 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 0.105 114.895 114.554 0.393 0.000 2.685 482 T HA -0.244 4.115 4.350 0.015 0.000 0.268 482 T C 1.933 176.905 174.700 0.453 0.000 1.034 482 T CA 2.470 64.874 62.100 0.506 0.000 1.149 482 T CB -1.240 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 1.410 121.506 119.914 0.303 0.000 2.527 483 V HA -0.234 3.895 4.120 0.015 0.000 0.255 483 V C 1.665 177.850 176.094 0.151 0.000 1.081 483 V CA 2.204 64.635 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 -0.847 119.571 120.400 0.030 0.000 2.371 484 D HA -0.022 4.627 4.640 0.015 0.000 0.221 484 D C 1.536 177.635 176.300 -0.335 0.000 0.986 484 D CA 1.173 55.062 54.000 -0.185 0.000 0.899 484 D CB -0.174 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 -1.607 118.738 120.300 0.076 0.000 2.462 485 Y HA 0.103 4.664 4.550 0.019 0.000 0.261 485 Y C 0.623 176.355 175.900 -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 57.540 58.100 0.100 0.000 1.186 486 Y CB 0.561 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 -0.059 115.723 115.700 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 57.306 58.200 0.104 0.000 0.827 487 S CB 2.453 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 0.777 120.618 119.800 0.070 0.000 2.456 488 Q HA 0.721 5.070 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 30.503 28.738 0.101 0.000 1.434 488 Q HN 0.692 nan 8.270 nan 0.000 0.419 489 L N 1.595 122.830 121.223 0.020 0.000 2.287 489 L HA 0.539 4.888 4.340 0.015 0.000 0.287 489 L C -0.347 176.526 176.870 0.004 0.000 1.022 489 L CA -0.744 54.105 54.840 0.015 0.000 0.814 489 L CB 1.536 43.596 42.059 0.002 0.000 1.217 489 L HN 0.616 nan 8.230 nan 0.000 0.420 490 K N 2.239 122.643 120.400 0.006 0.000 2.183 490 K HA 0.400 4.729 4.320 0.015 0.000 0.274 490 K C -0.706 175.857 176.600 -0.062 0.000 1.009 490 K CA -0.402 55.872 56.287 -0.022 0.000 0.888 490 K CB 1.321 33.815 32.500 -0.010 0.000 1.078 490 K HN 0.465 nan 8.250 nan 0.000 0.459 491 T N 3.199 117.695 114.554 -0.096 0.000 2.767 491 T HA 0.267 4.627 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 61.471 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 5.832 125.480 119.914 -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 1.065 32.256 31.823 -1.054 0.000 1.000 492 V HN 0.799 nan 8.190 nan 0.000 0.433 493 I N 5.231 125.567 120.570 -0.390 0.000 2.354 493 I HA 0.515 4.694 4.170 0.015 0.000 0.292 493 I C -0.404 175.501 176.117 -0.353 0.000 0.989 493 I CA -0.759 60.335 61.300 -0.342 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 6.309 125.935 119.914 -0.481 0.000 2.376 494 V HA 0.378 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 6.200 126.316 120.200 -0.140 0.000 2.299 495 E HA 0.237 4.596 4.350 0.015 0.000 0.272 495 E C 0.600 177.199 176.600 -0.002 0.000 1.043 495 E CA -0.010 56.357 56.400 -0.055 0.000 0.895 495 E CB 1.229 30.905 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 0.211 4.700 4.480 0.015 0.000 0.258 496 M C 0.939 177.273 176.300 0.057 0.000 1.119 496 M CA 0.593 55.946 55.300 0.088 0.000 1.111 496 M CB -0.017 32.667 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 0.311 4.280 3.960 0.015 0.000 0.178 497 G HA3 0.311 4.280 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 5.140 4.640 0.015 0.000 0.249 498 D C 0.084 176.389 176.300 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 4.177 4.120 0.015 0.000 0.291 499 V C 0.232 176.335 176.094 0.015 0.000 1.049 499 V CA -0.109 62.198 62.300 0.012 0.000 1.038 499 V CB 0.747 32.580 31.823 0.017 0.000 0.980 499 V HN 0.366 nan 8.190 nan 0.000 0.481 500 D N 3.155 123.563 120.400 0.013 0.000 2.396 500 D HA 0.275 4.924 4.640 0.015 0.000 0.225 500 D C -0.076 176.237 176.300 0.022 0.000 1.121 500 D CA 0.281 54.286 54.000 0.009 0.000 0.853 500 D CB 1.656 42.455 40.800 -0.001 0.000 1.043 500 D HN 0.528 nan 8.370 nan 0.000 0.500 501 S N 2.148 117.866 115.700 0.031 0.000 2.537 501 S HA 0.385 4.864 4.470 0.015 0.000 0.301 501 S C 0.773 175.364 174.600 -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 3.317 124.463 121.223 -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 0.051 54.571 54.840 -0.534 0.000 0.933 502 L CB -0.551 41.017 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