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_C DATA FIRST_RESID 1 DATA SEQUENCE AQLVDSMPSA STGSVVVTDD LNYWGGRRIK SKDGATTEPV FEPATGRVLC DATA SEQUENCE QMVPCGAEEV DQAVQSAQAA YLKWSKMAGI ERSRVMLEAA RIIRERRDNI DATA SEQUENCE AKLEVINNGK TITEAEYDID AAWQCIEYYA GLAPTLSGQH IQLPGGAFAY DATA SEQUENCE TRREPLGVCA GILAWNYPFM IAAWKCAPAL ACGNAVVFKP SPMTPVTGVI DATA SEQUENCE LAEIFHEAGV PVGLVNVVQG GAETGSLLCH HPNVAKVSFT GSVPTGKKVM DATA SEQUENCE EMSAKTVKHV TLELGGKSPL LIFKDCELEN AVRGALMANF LTQGQVCTNG DATA SEQUENCE TRVFVQREIM PQFLEEVVKR TKAIVVGDPL LTETRMGGLI SKPQLDKVLG DATA SEQUENCE FVAQAKKEGA RVLCGGEPLT PSDPKLKNGY FMSPCVLDNC RDDMTCVKEE DATA SEQUENCE IFGPVMSVLP FDTEEEVLQR ANNTTFGLAS GVFTRDISRA HRVAANLEAG DATA SEQUENCE TCYINTYSIS PVEVPFGGYK MSGFGRENGQ ATVDYYSQLK TVIVEMGDVD DATA SEQUENCE SLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -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 -0.049 4.299 4.340 0.015 0.000 0.201 2 Q C 1.755 177.746 176.000 -0.015 0.000 0.972 2 Q CA 1.887 57.684 55.803 -0.011 0.000 0.847 2 Q CB -0.861 27.872 28.738 -0.008 0.000 0.903 2 Q HN 0.792 nan 8.270 nan 0.000 0.433 3 L N 1.203 122.417 121.223 -0.014 0.000 2.083 3 L HA -0.101 4.248 4.340 0.015 0.000 0.209 3 L C 2.246 179.101 176.870 -0.024 0.000 1.083 3 L CA 1.225 56.054 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 1.998 178.070 176.094 -0.037 0.000 1.058 4 V CA 1.859 64.136 62.300 -0.039 0.000 1.064 4 V CB -0.769 31.028 31.823 -0.044 0.000 0.675 4 V HN 0.465 nan 8.190 nan 0.000 0.461 5 D N 0.272 120.655 120.400 -0.028 0.000 2.317 5 D HA -0.063 4.586 4.640 0.015 0.000 0.211 5 D C 2.300 178.586 176.300 -0.024 0.000 0.966 5 D CA 1.397 55.382 54.000 -0.025 0.000 0.876 5 D CB 0.096 40.885 40.800 -0.020 0.000 0.927 5 D HN 0.620 nan 8.370 nan 0.000 0.519 6 S N -0.003 115.683 115.700 -0.023 0.000 2.489 6 S HA -0.057 4.422 4.470 0.015 0.000 0.228 6 S C 1.967 176.553 174.600 -0.023 0.000 0.995 6 S CA 0.115 58.303 58.200 -0.021 0.000 0.934 6 S CB -0.060 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 2.058 121.641 119.600 -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 56.227 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 1.942 65.027 63.100 -0.024 0.000 0.834 8 P CB -0.142 31.544 31.700 -0.023 0.000 0.783 9 S N -2.779 112.909 115.700 -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 -0.547 62.644 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 0.630 4.959 4.320 0.015 0.000 0.238 10 A C 0.536 178.110 177.584 -0.017 0.000 1.074 10 A CA 0.139 52.165 52.037 -0.019 0.000 0.774 10 A CB 0.128 19.114 19.000 -0.022 0.000 1.015 10 A HN 1.100 nan 8.150 nan 0.000 0.498 11 S N -0.226 115.465 115.700 -0.015 0.000 2.596 11 S HA 0.582 5.060 4.470 0.015 0.000 0.270 11 S C -0.384 174.210 174.600 -0.011 0.000 1.155 11 S CA -0.563 57.630 58.200 -0.012 0.000 0.827 11 S CB 0.614 63.808 63.200 -0.011 0.000 1.130 11 S HN 0.811 nan 8.310 nan 0.000 0.467 12 T N 1.794 116.344 114.554 -0.006 0.000 2.905 12 T HA 0.439 4.798 4.350 0.015 0.000 0.299 12 T C 1.583 176.281 174.700 -0.004 0.000 1.024 12 T CA 1.493 63.592 62.100 -0.003 0.000 1.151 12 T CB -0.238 68.636 68.868 0.010 0.000 0.987 12 T HN 1.993 nan 8.240 nan 0.000 0.535 13 G N 2.340 111.136 108.800 -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 0.984 nan 8.290 nan 0.000 0.536 14 S N -1.069 114.624 115.700 -0.011 0.000 2.468 14 S HA 0.479 4.958 4.470 0.015 0.000 0.226 14 S C 1.324 175.915 174.600 -0.015 0.000 1.051 14 S CA 0.844 59.037 58.200 -0.012 0.000 0.943 14 S CB 0.201 63.394 63.200 -0.012 0.000 0.810 14 S HN 0.899 nan 8.310 nan 0.000 0.509 15 V N 1.625 121.529 119.914 -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 -0.071 62.218 62.300 -0.019 0.000 1.126 15 V CB 1.252 33.063 31.823 -0.021 0.000 1.085 15 V HN 0.439 nan 8.190 nan 0.000 0.480 16 V N 2.638 122.538 119.914 -0.023 0.000 2.823 16 V HA 0.379 4.507 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 -0.409 61.874 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 5.752 125.650 119.914 -0.028 0.000 2.732 17 V HA 0.542 4.671 4.120 0.015 0.000 0.297 17 V C 1.243 177.324 176.094 -0.021 0.000 1.060 17 V CA 0.835 63.122 62.300 -0.021 0.000 1.038 17 V CB 1.439 33.251 31.823 -0.018 0.000 1.003 17 V HN 1.121 nan 8.190 nan 0.000 0.481 18 T N -2.162 112.382 114.554 -0.016 0.000 3.252 18 T HA 0.160 4.519 4.350 0.015 0.000 0.295 18 T C 0.143 174.835 174.700 -0.013 0.000 0.897 18 T CA -0.400 61.690 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 2.220 122.614 120.400 -0.009 0.000 2.414 19 D HA 0.255 4.904 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 -0.087 53.908 54.000 -0.007 0.000 0.999 19 D CB 0.628 41.428 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 0.830 177.129 176.300 -0.002 0.000 1.062 20 D CA -0.302 53.685 54.000 -0.021 0.000 0.891 20 D CB 1.899 42.667 40.800 -0.054 0.000 1.186 20 D HN 0.173 nan 8.370 nan 0.000 0.432 21 L N 1.321 122.550 121.223 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 54.930 54.840 0.041 0.000 0.890 21 L CB -0.050 42.043 42.059 0.056 0.000 1.103 21 L HN 0.115 nan 8.230 nan 0.000 0.468 22 N N 0.317 119.020 118.700 0.006 0.000 2.473 22 N HA 0.269 5.018 4.740 0.015 0.000 0.291 22 N C -1.447 174.000 175.510 -0.105 0.000 1.083 22 N CA -0.163 52.884 53.050 -0.004 0.000 0.951 22 N CB 1.928 40.364 38.487 -0.085 0.000 1.164 22 N HN -0.068 nan 8.380 nan 0.000 0.480 23 Y N 2.011 122.229 120.300 -0.136 0.000 2.330 23 Y HA 0.466 5.025 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 57.188 58.100 -0.170 0.000 1.103 23 Y CB 0.774 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 0.014 0.000 0.329 24 W C 0.281 176.603 176.519 -0.328 0.000 1.246 24 W CA -1.435 55.760 57.345 -0.249 0.000 1.190 24 W CB 0.701 30.101 29.460 -0.100 0.000 1.423 24 W HN 1.056 nan 8.180 nan 0.000 0.571 25 G N 0.344 109.207 108.800 0.105 0.000 2.153 25 G HA2 0.226 4.195 3.960 0.015 0.000 0.252 25 G HA3 0.226 4.195 3.960 0.015 0.000 0.252 25 G C 1.180 175.963 174.900 -0.196 0.000 0.994 25 G CA 1.413 46.520 45.100 0.012 0.000 0.698 25 G HN 2.764 nan 8.290 nan 0.000 0.521 26 G N -1.202 107.337 108.800 -0.435 0.000 2.147 26 G HA2 0.027 3.996 3.960 0.015 0.000 0.244 26 G HA3 0.027 3.996 3.960 0.015 0.000 0.244 26 G C 0.198 174.607 174.900 -0.818 0.000 1.005 26 G CA 1.372 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 -0.618 175.261 176.300 -0.701 0.000 1.028 27 R CA -1.285 54.403 56.100 -0.688 0.000 0.883 27 R CB 0.962 31.046 30.300 -0.359 0.000 1.250 27 R HN 0.112 nan 8.270 nan 0.000 0.465 28 R N 1.293 121.641 120.500 -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 -0.534 55.467 56.100 -0.165 0.000 0.957 28 R CB 0.521 30.819 30.300 -0.003 0.000 1.003 28 R HN 0.339 nan 8.270 nan 0.000 0.454 29 I N 3.683 123.974 120.570 -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 1.201 38.669 38.000 -0.885 0.000 1.409 29 I HN 0.603 nan 8.210 nan 0.000 0.523 30 K N 2.996 123.294 120.400 -0.170 0.000 2.362 30 K HA -0.070 4.258 4.320 0.015 0.000 0.200 30 K C 0.575 177.138 176.600 -0.061 0.000 1.046 30 K CA 0.741 56.971 56.287 -0.094 0.000 0.952 30 K CB -0.094 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 -0.152 174.453 174.600 0.007 0.000 0.875 31 S CA 0.406 58.606 58.200 0.000 0.000 1.357 31 S CB -1.054 62.153 63.200 0.012 0.000 1.069 31 S HN 0.232 nan 8.310 nan 0.000 0.561 32 K N 1.627 122.034 120.400 0.012 0.000 2.362 32 K HA 0.611 4.940 4.320 0.015 0.000 0.245 32 K C 0.369 176.981 176.600 0.020 0.000 1.040 32 K CA 0.367 56.660 56.287 0.011 0.000 0.961 32 K CB 0.195 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 -1.666 118.744 120.400 0.016 0.000 10.847 33 D HA -0.148 4.501 4.640 0.015 0.000 0.350 33 D C 0.767 177.079 176.300 0.020 0.000 3.129 33 D CA 1.098 55.109 54.000 0.019 0.000 2.659 33 D CB -0.303 40.512 40.800 0.024 0.000 1.194 33 D HN 0.559 nan 8.370 nan 0.000 0.939 34 G N 2.538 111.349 108.800 0.018 0.000 2.802 34 G HA2 0.049 4.018 3.960 0.015 0.000 0.222 34 G HA3 0.049 4.018 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 3.047 48.158 45.100 0.019 0.000 0.787 34 G HN 1.995 nan 8.290 nan 0.000 0.643 35 A N -1.188 121.649 122.820 0.028 0.000 1.679 35 A HA 0.018 4.347 4.320 0.015 0.000 0.221 35 A C 0.698 178.303 177.584 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 1.982 nan 8.240 nan 0.000 0.483 37 T N 0.457 115.030 114.554 0.033 0.000 2.907 37 T HA 0.695 5.054 4.350 0.015 0.000 0.290 37 T C -1.227 173.493 174.700 0.034 0.000 1.066 37 T CA -1.171 60.948 62.100 0.032 0.000 1.012 37 T CB 2.186 71.066 68.868 0.019 0.000 1.184 37 T HN 0.389 nan 8.240 nan 0.000 0.522 38 E N 1.800 122.020 120.200 0.033 0.000 2.248 38 E HA 0.462 4.821 4.350 0.015 0.000 0.267 38 E C -2.766 173.834 176.600 -0.001 0.000 0.877 38 E CA -2.361 54.064 56.400 0.041 0.000 0.759 38 E CB 2.391 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 1.050 32.546 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 0.599 4.728 4.120 0.015 0.000 0.290 40 V C -0.559 175.328 176.094 -0.345 0.000 1.037 40 V CA -0.667 61.547 62.300 -0.143 0.000 0.908 40 V CB 0.454 32.257 31.823 -0.033 0.000 0.985 40 V HN 0.206 nan 8.190 nan 0.000 0.454 41 F N 1.532 121.492 119.950 0.017 0.000 2.497 41 F HA 0.585 5.120 4.527 0.014 0.000 0.331 41 F C 0.572 176.342 175.800 -0.051 0.000 1.060 41 F CA -0.911 57.090 58.000 0.000 0.000 0.989 41 F CB 1.451 40.487 39.000 0.060 0.000 1.245 41 F HN 0.669 nan 8.300 nan 0.000 0.486 42 E N 2.702 122.956 120.200 0.090 0.000 2.035 42 E HA 0.266 4.625 4.350 0.015 0.000 0.271 42 E C -2.105 174.401 176.600 -0.156 0.000 0.953 42 E CA -1.943 54.440 56.400 -0.027 0.000 0.777 42 E CB 1.145 30.822 29.700 -0.038 0.000 1.104 42 E HN 0.237 nan 8.360 nan 0.000 0.408 43 P HA -0.213 nan 4.420 nan 0.000 0.217 43 P C 0.733 177.679 177.300 -0.591 0.000 1.151 43 P CA 1.499 64.333 63.100 -0.444 0.000 0.849 43 P CB 0.257 31.817 31.700 -0.234 0.000 0.787 44 A N -1.221 121.394 122.820 -0.342 0.000 2.119 44 A HA -0.069 4.260 4.320 0.015 0.000 0.217 44 A C 1.955 179.518 177.584 -0.035 0.000 1.153 44 A CA 2.027 53.937 52.037 -0.212 0.000 0.692 44 A CB -1.234 17.757 19.000 -0.015 0.000 0.799 44 A HN 0.359 nan 8.150 nan 0.000 0.458 45 T N -7.080 107.392 114.554 -0.137 0.000 2.969 45 T HA 0.422 4.781 4.350 0.015 0.000 0.258 45 T C 1.395 176.035 174.700 -0.100 0.000 0.962 45 T CA 1.079 63.148 62.100 -0.053 0.000 0.903 45 T CB 0.262 69.120 68.868 -0.017 0.000 1.177 45 T HN 1.645 nan 8.240 nan 0.000 0.511 46 G N 2.127 110.771 108.800 -0.260 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 0.065 45.082 45.100 -0.139 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 0.089 0.000 2.641 47 R HA 0.448 4.797 4.340 0.015 0.000 0.269 47 R C 0.320 176.644 176.300 0.040 0.000 1.074 47 R CA -0.392 55.756 56.100 0.081 0.000 1.133 47 R CB 1.130 31.439 30.300 0.015 0.000 1.029 47 R HN 0.057 nan 8.270 nan 0.000 0.488 48 V N 4.926 124.796 119.914 -0.074 0.000 2.389 48 V HA 0.012 4.141 4.120 0.015 0.000 0.264 48 V C 1.438 177.419 176.094 -0.188 0.000 1.049 48 V CA 0.173 62.295 62.300 -0.298 0.000 0.932 48 V CB 0.807 32.464 31.823 -0.277 0.000 1.011 48 V HN 0.717 nan 8.190 nan 0.000 0.475 49 L N 4.607 125.716 121.223 -0.190 0.000 2.217 49 L HA 0.064 4.413 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 0.942 55.718 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 -4.704 114.515 119.300 -0.134 0.000 2.986 50 C HA 0.311 4.780 4.460 0.015 0.000 0.326 50 C C -1.341 173.583 174.990 -0.111 0.000 1.335 50 C CA -1.309 57.651 59.018 -0.096 0.000 1.223 50 C CB 1.113 28.820 27.740 -0.055 0.000 1.354 50 C HN 0.027 nan 8.230 nan 0.000 0.447 51 Q N 0.735 120.494 119.800 -0.068 0.000 2.248 51 Q HA 0.773 5.122 4.340 0.015 0.000 0.263 51 Q C -0.589 175.400 176.000 -0.018 0.000 1.007 51 Q CA -0.252 55.520 55.803 -0.051 0.000 0.877 51 Q CB 1.781 30.500 28.738 -0.032 0.000 1.315 51 Q HN 0.971 nan 8.270 nan 0.000 0.454 52 M N -1.145 118.457 119.600 0.003 0.000 2.204 52 M HA 0.488 4.977 4.480 0.015 0.000 0.293 52 M C -1.333 174.993 176.300 0.044 0.000 0.994 52 M CA -0.887 54.432 55.300 0.031 0.000 0.925 52 M CB 1.670 34.299 32.600 0.049 0.000 1.577 52 M HN 0.145 nan 8.290 nan 0.000 0.439 53 V N 6.477 126.421 119.914 0.049 0.000 2.364 53 V HA 0.670 4.799 4.120 0.015 0.000 0.272 53 V C -2.135 174.009 176.094 0.083 0.000 1.036 53 V CA -1.747 60.589 62.300 0.058 0.000 0.880 53 V CB 1.138 32.991 31.823 0.050 0.000 0.991 53 V HN 0.928 nan 8.190 nan 0.000 0.460 54 P HA 0.174 nan 4.420 nan 0.000 0.272 54 P C -0.488 176.879 177.300 0.111 0.000 1.223 54 P CA -0.223 62.937 63.100 0.100 0.000 0.784 54 P CB 0.855 32.608 31.700 0.087 0.000 0.923 55 C N 1.939 121.313 119.300 0.123 0.000 2.401 55 C HA 0.681 5.150 4.460 0.015 0.000 0.365 55 C C 1.337 176.375 174.990 0.080 0.000 1.250 55 C CA 0.076 59.168 59.018 0.122 0.000 2.131 55 C CB 0.715 28.531 27.740 0.127 0.000 2.445 55 C HN 0.741 nan 8.230 nan 0.000 0.550 56 G N 0.741 109.581 108.800 0.067 0.000 2.753 56 G HA2 0.530 4.499 3.960 0.015 0.000 0.285 56 G HA3 0.530 4.499 3.960 0.015 0.000 0.285 56 G C 0.861 175.778 174.900 0.028 0.000 1.344 56 G CA 0.222 45.351 45.100 0.049 0.000 1.050 56 G HN 0.940 nan 8.290 nan 0.000 0.532 57 A N -0.446 122.390 122.820 0.028 0.000 1.892 57 A HA -0.109 4.219 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 54.600 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 0.304 120.505 120.200 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 -0.059 0.000 1.021 58 E CA 1.852 58.248 56.400 -0.006 0.000 0.825 58 E CB -0.515 29.200 29.700 0.024 0.000 0.756 58 E HN 0.716 nan 8.360 nan 0.000 0.454 59 E N 0.477 120.644 120.200 -0.054 0.000 2.023 59 E HA -0.153 4.206 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 1.238 57.515 56.400 -0.206 0.000 0.809 59 E CB -0.737 28.988 29.700 0.042 0.000 0.755 59 E HN 0.068 nan 8.360 nan 0.000 0.449 60 V N 1.915 121.653 119.914 -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 55.847 54.000 -0.073 0.000 0.840 61 D CB -0.055 40.775 40.800 0.049 0.000 0.947 61 D HN 0.630 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 -0.606 0.000 0.978 62 Q CA 1.297 56.844 55.803 -0.425 0.000 0.844 62 Q CB -0.127 28.341 28.738 -0.451 0.000 0.898 62 Q HN 0.271 nan 8.270 nan 0.000 0.426 63 A N 0.585 122.854 122.820 -0.919 0.000 1.851 63 A HA -0.194 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 1.757 53.406 52.037 -0.647 0.000 0.622 63 A CB -1.034 17.634 19.000 -0.553 0.000 0.831 63 A HN 0.215 nan 8.150 nan 0.000 0.444 64 V N -0.014 119.690 119.914 -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 64.586 62.300 -0.319 0.000 1.022 64 V CB -1.093 30.357 31.823 -0.622 0.000 0.641 64 V HN 0.663 nan 8.190 nan 0.000 0.445 65 Q N -0.571 119.136 119.800 -0.155 0.000 2.152 65 Q HA -0.240 4.109 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 1.978 57.746 55.803 -0.059 0.000 0.863 65 Q CB -0.334 28.380 28.738 -0.041 0.000 0.904 65 Q HN 0.643 nan 8.270 nan 0.000 0.422 66 S N -0.024 115.648 115.700 -0.046 0.000 2.348 66 S HA -0.177 4.302 4.470 0.015 0.000 0.221 66 S C 1.984 176.606 174.600 0.037 0.000 1.033 66 S CA 1.138 59.351 58.200 0.022 0.000 1.010 66 S CB -0.234 63.001 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 2.309 54.357 52.037 0.018 0.000 0.623 67 A CB -1.373 17.608 19.000 -0.031 0.000 0.826 67 A HN 0.624 nan 8.150 nan 0.000 0.444 68 Q N 0.074 119.895 119.800 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 3.015 58.872 55.803 0.091 0.000 0.868 68 Q CB -0.811 27.953 28.738 0.044 0.000 0.931 68 Q HN 0.601 nan 8.270 nan 0.000 0.414 69 A N 0.324 123.206 122.820 0.103 0.000 1.851 69 A HA -0.091 4.238 4.320 0.015 0.000 0.216 69 A C 2.376 180.030 177.584 0.116 0.000 1.195 69 A CA 2.685 54.781 52.037 0.098 0.000 0.622 69 A CB -1.560 17.484 19.000 0.074 0.000 0.831 69 A HN 0.657 nan 8.150 nan 0.000 0.444 70 A N -1.457 121.434 122.820 0.118 0.000 1.917 70 A HA -0.181 4.148 4.320 0.015 0.000 0.219 70 A C 2.134 179.829 177.584 0.186 0.000 1.182 70 A CA 2.004 54.114 52.037 0.122 0.000 0.633 70 A CB -0.972 18.075 19.000 0.077 0.000 0.819 70 A HN 0.898 nan 8.150 nan 0.000 0.448 71 Y N 0.379 120.730 120.300 0.084 0.000 2.081 71 Y HA -0.253 4.304 4.550 0.013 0.000 0.280 71 Y C 1.846 177.831 175.900 0.141 0.000 1.163 71 Y CA 1.933 60.113 58.100 0.134 0.000 1.135 71 Y CB -0.713 37.799 38.460 0.087 0.000 0.970 71 Y HN 0.185 nan 8.280 nan 0.000 0.498 72 L N 0.788 121.967 121.223 -0.074 0.000 2.064 72 L HA -0.271 4.078 4.340 0.015 0.000 0.216 72 L C 2.478 179.268 176.870 -0.134 0.000 1.077 72 L CA 2.501 57.232 54.840 -0.181 0.000 0.766 72 L CB -1.261 40.787 42.059 -0.017 0.000 0.890 72 L HN 0.327 nan 8.230 nan 0.000 0.435 73 K N -1.277 119.117 120.400 -0.011 0.000 2.044 73 K HA -0.187 4.142 4.320 0.015 0.000 0.204 73 K C 2.138 178.778 176.600 0.067 0.000 1.045 73 K CA 1.170 57.475 56.287 0.031 0.000 0.951 73 K CB -0.876 31.673 32.500 0.083 0.000 0.738 73 K HN 0.393 nan 8.250 nan 0.000 0.443 74 W N 1.971 123.227 121.300 -0.073 0.000 2.342 74 W HA -0.192 4.477 4.660 0.015 0.000 0.297 74 W C 1.520 177.991 176.519 -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 0.246 115.881 115.700 -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 0.969 59.020 58.200 -0.248 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 -0.196 0.000 2.400 76 K HA 0.390 4.719 4.320 0.015 0.000 0.194 76 K C 0.558 177.065 176.600 -0.155 0.000 1.033 76 K CA 0.160 56.359 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 0.294 119.758 119.600 -0.227 0.000 2.250 77 M HA 0.237 4.726 4.480 0.015 0.000 0.344 77 M C 0.147 176.285 176.300 -0.269 0.000 1.150 77 M CA -0.543 54.607 55.300 -0.249 0.000 1.147 77 M CB 1.303 33.698 32.600 -0.341 0.000 1.498 77 M HN 0.005 nan 8.290 nan 0.000 0.461 78 A N 1.767 124.470 122.820 -0.196 0.000 2.287 78 A HA 0.542 4.871 4.320 0.015 0.000 0.273 78 A C 1.238 178.708 177.584 -0.189 0.000 1.091 78 A CA -0.044 51.897 52.037 -0.159 0.000 0.817 78 A CB -0.008 18.930 19.000 -0.103 0.000 1.069 78 A HN 1.036 nan 8.150 nan 0.000 0.492 79 G N 0.325 109.041 108.800 -0.141 0.000 2.491 79 G HA2 -0.261 3.708 3.960 0.015 0.000 0.218 79 G HA3 -0.261 3.708 3.960 0.015 0.000 0.218 79 G C 1.342 176.183 174.900 -0.099 0.000 1.180 79 G CA 1.477 46.505 45.100 -0.121 0.000 0.774 79 G HN 0.816 nan 8.290 nan 0.000 0.562 80 I N 0.871 121.398 120.570 -0.073 0.000 2.248 80 I HA -0.176 4.003 4.170 0.015 0.000 0.248 80 I C 2.586 178.672 176.117 -0.051 0.000 1.107 80 I CA 1.859 63.130 61.300 -0.047 0.000 1.373 80 I CB -0.170 37.806 38.000 -0.039 0.000 1.055 80 I HN 0.371 nan 8.210 nan 0.000 0.418 81 E N -0.135 120.011 120.200 -0.090 0.000 2.076 81 E HA -0.132 4.227 4.350 0.015 0.000 0.190 81 E C 2.264 178.787 176.600 -0.129 0.000 0.979 81 E CA 0.776 57.119 56.400 -0.094 0.000 0.807 81 E CB -0.174 29.454 29.700 -0.119 0.000 0.761 81 E HN 0.502 nan 8.360 nan 0.000 0.454 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 56.765 56.100 -0.394 0.000 0.981 82 R CB -0.315 29.542 30.300 -0.739 0.000 0.870 82 R HN 0.015 nan 8.270 nan 0.000 0.451 83 S N 0.830 116.537 115.700 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 0.999 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 2.329 178.716 176.300 0.145 0.000 1.137 84 R CA 1.692 57.850 56.100 0.097 0.000 0.943 84 R CB -1.489 28.855 30.300 0.073 0.000 0.850 84 R HN 0.442 nan 8.270 nan 0.000 0.433 85 V N 1.478 121.512 119.914 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 2.018 64.467 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 -0.774 119.014 119.600 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 57.434 55.300 0.342 0.000 1.109 86 M CB -0.571 32.231 32.600 0.337 0.000 1.342 86 M HN 0.264 nan 8.290 nan 0.000 0.405 87 L N -0.168 121.174 121.223 0.199 0.000 2.081 87 L HA -0.238 4.110 4.340 0.015 0.000 0.212 87 L C 2.592 179.534 176.870 0.121 0.000 1.080 87 L CA 1.080 56.011 54.840 0.152 0.000 0.754 87 L CB -0.693 41.434 42.059 0.113 0.000 0.893 87 L HN 0.319 nan 8.230 nan 0.000 0.433 88 E N -0.019 120.255 120.200 0.122 0.000 2.072 88 E HA -0.127 4.232 4.350 0.015 0.000 0.190 88 E C 2.342 178.988 176.600 0.076 0.000 0.982 88 E CA 1.220 57.672 56.400 0.085 0.000 0.803 88 E CB -0.242 29.513 29.700 0.091 0.000 0.755 88 E HN 0.434 nan 8.360 nan 0.000 0.453 89 A N 1.630 124.523 122.820 0.121 0.000 1.948 89 A HA -0.168 4.161 4.320 0.015 0.000 0.220 89 A C 2.369 179.961 177.584 0.013 0.000 1.177 89 A CA 2.201 54.266 52.037 0.047 0.000 0.636 89 A CB -0.522 18.540 19.000 0.102 0.000 0.815 89 A HN 0.269 nan 8.150 nan 0.000 0.449 90 A N -0.445 122.433 122.820 0.095 0.000 1.832 90 A HA -0.120 4.209 4.320 0.015 0.000 0.214 90 A C 2.226 179.783 177.584 -0.045 0.000 1.204 90 A CA 1.522 53.631 52.037 0.119 0.000 0.606 90 A CB -0.659 18.477 19.000 0.228 0.000 0.849 90 A HN 0.458 nan 8.150 nan 0.000 0.445 91 R N 0.037 120.494 120.500 -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 0.154 120.679 120.570 -0.074 0.000 2.235 92 I HA -0.251 3.928 4.170 0.015 0.000 0.241 92 I C 2.395 178.473 176.117 -0.065 0.000 1.085 92 I CA 0.966 62.231 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 0.336 120.890 120.570 -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 -0.068 0.000 1.107 93 I CA 1.294 62.617 61.300 0.038 0.000 1.373 93 I CB -0.515 37.615 38.000 0.217 0.000 1.055 93 I HN 0.226 nan 8.210 nan 0.000 0.418 94 R N 1.111 121.439 120.500 -0.285 0.000 2.083 94 R HA -0.200 4.149 4.340 0.015 0.000 0.237 94 R C 1.941 178.086 176.300 -0.259 0.000 1.137 94 R CA 1.802 57.580 56.100 -0.536 0.000 0.951 94 R CB -0.171 29.660 30.300 -0.781 0.000 0.851 94 R HN 0.461 nan 8.270 nan 0.000 0.434 95 E N -0.495 119.593 120.200 -0.186 0.000 2.478 95 E HA -0.115 4.244 4.350 0.015 0.000 0.198 95 E C 0.869 177.420 176.600 -0.083 0.000 1.046 95 E CA 0.545 56.874 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 -0.058 120.396 120.500 -0.078 0.000 2.600 96 R HA 0.192 4.540 4.340 0.015 0.000 0.392 96 R C 1.515 177.771 176.300 -0.072 0.000 1.032 96 R CA -0.393 55.667 56.100 -0.067 0.000 1.139 96 R CB 0.418 30.681 30.300 -0.062 0.000 1.400 96 R HN -0.096 nan 8.270 nan 0.000 0.566 97 R N 2.236 122.704 120.500 -0.053 0.000 2.179 97 R HA -0.224 4.125 4.340 0.015 0.000 0.238 97 R C 0.641 176.910 176.300 -0.051 0.000 1.119 97 R CA 2.319 58.410 56.100 -0.016 0.000 0.915 97 R CB -0.361 29.956 30.300 0.028 0.000 0.870 97 R HN 0.223 nan 8.270 nan 0.000 0.432 98 D N 0.414 120.784 120.400 -0.049 0.000 2.120 98 D HA -0.171 4.478 4.640 0.015 0.000 0.191 98 D C 1.761 178.018 176.300 -0.071 0.000 0.994 98 D CA 1.327 55.294 54.000 -0.055 0.000 0.838 98 D CB -0.792 39.981 40.800 -0.045 0.000 0.976 98 D HN 0.310 nan 8.370 nan 0.000 0.447 99 N N 0.966 119.625 118.700 -0.069 0.000 2.069 99 N HA -0.180 4.569 4.740 0.015 0.000 0.196 99 N C 2.203 177.649 175.510 -0.106 0.000 1.024 99 N CA 0.811 53.817 53.050 -0.074 0.000 0.869 99 N CB -0.554 37.895 38.487 -0.065 0.000 1.035 99 N HN 0.339 nan 8.380 nan 0.000 0.434 100 I N 1.191 121.670 120.570 -0.151 0.000 2.179 100 I HA -0.239 3.939 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 1.084 62.233 61.300 -0.252 0.000 1.357 100 I CB -0.416 37.328 38.000 -0.426 0.000 1.051 100 I HN 0.075 nan 8.210 nan 0.000 0.409 101 A N 0.831 123.548 122.820 -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 2.208 54.176 52.037 -0.115 0.000 0.624 101 A CB -0.622 18.335 19.000 -0.072 0.000 0.822 101 A HN 0.364 nan 8.150 nan 0.000 0.444 102 K N -0.580 119.775 120.400 -0.074 0.000 2.032 102 K HA -0.084 4.245 4.320 0.015 0.000 0.209 102 K C 1.992 178.560 176.600 -0.054 0.000 1.048 102 K CA 1.507 57.762 56.287 -0.054 0.000 0.927 102 K CB -0.303 32.168 32.500 -0.049 0.000 0.712 102 K HN 0.482 nan 8.250 nan 0.000 0.441 103 L N 0.921 122.104 121.223 -0.068 0.000 2.083 103 L HA -0.197 4.152 4.340 0.015 0.000 0.209 103 L C 2.307 179.148 176.870 -0.047 0.000 1.083 103 L CA 1.604 56.411 54.840 -0.056 0.000 0.752 103 L CB -0.291 41.729 42.059 -0.065 0.000 0.899 103 L HN 0.295 nan 8.230 nan 0.000 0.433 104 E N -0.222 119.938 120.200 -0.067 0.000 2.058 104 E HA -0.212 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 1.939 58.315 56.400 -0.039 0.000 0.801 104 E CB -0.362 29.302 29.700 -0.060 0.000 0.746 104 E HN 0.343 nan 8.360 nan 0.000 0.450 105 V N 0.861 120.755 119.914 -0.033 0.000 2.255 105 V HA -0.293 3.836 4.120 0.015 0.000 0.247 105 V C 2.441 178.517 176.094 -0.029 0.000 1.051 105 V CA 2.089 64.371 62.300 -0.030 0.000 1.018 105 V CB -0.539 31.267 31.823 -0.028 0.000 0.641 105 V HN 0.347 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 2.442 63.727 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 0.099 118.796 118.700 -0.005 0.000 2.387 107 N HA -0.137 4.612 4.740 0.015 0.000 0.176 107 N C 1.875 177.399 175.510 0.023 0.000 1.022 107 N CA 0.344 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 0.105 118.817 118.700 0.020 0.000 2.220 108 N HA -0.062 4.686 4.740 0.015 0.000 0.182 108 N C 1.210 176.712 175.510 -0.013 0.000 1.023 108 N CA 1.942 55.011 53.050 0.031 0.000 0.856 108 N CB 0.270 38.773 38.487 0.027 0.000 0.997 108 N HN 0.396 nan 8.380 nan 0.000 0.429 109 G N 1.091 109.864 108.800 -0.046 0.000 2.238 109 G HA2 -0.249 3.720 3.960 0.015 0.000 0.217 109 G HA3 -0.249 3.720 3.960 0.015 0.000 0.217 109 G C -0.006 174.849 174.900 -0.076 0.000 0.996 109 G CA 0.399 45.447 45.100 -0.086 0.000 0.632 109 G HN 0.718 nan 8.290 nan 0.000 0.503 110 K N 1.381 121.742 120.400 -0.064 0.000 2.276 110 K HA 0.510 4.839 4.320 0.015 0.000 0.259 110 K C 0.731 177.311 176.600 -0.035 0.000 1.001 110 K CA 0.310 56.559 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 -0.425 114.121 114.554 -0.013 0.000 2.926 111 T HA 0.090 4.449 4.350 0.015 0.000 0.307 111 T C 1.364 176.073 174.700 0.015 0.000 1.059 111 T CA -0.579 61.526 62.100 0.008 0.000 1.122 111 T CB 0.199 69.082 68.868 0.025 0.000 0.972 111 T HN 0.568 nan 8.240 nan 0.000 0.545 112 I N 1.145 121.722 120.570 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 1.994 64.158 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 0.471 120.779 120.200 0.179 0.000 2.030 114 E HA 0.075 4.434 4.350 0.015 0.000 0.189 114 E C 2.695 179.414 176.600 0.199 0.000 0.974 114 E CA 0.658 57.195 56.400 0.228 0.000 0.807 114 E CB -0.240 29.512 29.700 0.086 0.000 0.771 114 E HN 0.402 nan 8.360 nan 0.000 0.451 115 A N 1.956 124.825 122.820 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 2.236 54.298 52.037 0.043 0.000 0.657 115 A CB -0.827 18.172 19.000 -0.002 0.000 0.827 115 A HN 0.271 nan 8.150 nan 0.000 0.462 116 E N -1.572 118.633 120.200 0.009 0.000 2.070 116 E HA -0.253 4.106 4.350 0.015 0.000 0.197 116 E C 1.918 178.487 176.600 -0.053 0.000 1.004 116 E CA 1.779 58.139 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 1.462 121.789 120.300 0.045 0.000 2.165 117 Y HA -0.220 4.338 4.550 0.014 0.000 0.286 117 Y C 2.138 178.066 175.900 0.046 0.000 1.155 117 Y CA 1.460 59.584 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 0.009 nan 8.280 nan 0.000 0.513 118 D N -0.189 120.354 120.400 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 1.514 55.625 54.000 0.186 0.000 0.849 118 D CB -0.219 40.689 40.800 0.180 0.000 0.939 118 D HN 0.192 nan 8.370 nan 0.000 0.449 119 I N 0.828 121.491 120.570 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 0.984 62.415 61.300 0.219 0.000 1.393 119 I CB -1.078 36.994 38.000 0.120 0.000 1.078 119 I HN -0.006 nan 8.210 nan 0.000 0.417 120 D N 1.650 122.114 120.400 0.108 0.000 2.133 120 D HA -0.185 4.464 4.640 0.015 0.000 0.195 120 D C 2.226 178.214 176.300 -0.520 0.000 0.997 120 D CA 1.751 55.622 54.000 -0.216 0.000 0.840 120 D CB -0.020 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 1.087 123.832 122.820 -0.125 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 0.129 0.000 0.810 121 A HN 0.269 nan 8.150 nan 0.000 0.448 122 A N -0.012 122.886 122.820 0.129 0.000 1.855 122 A HA -0.121 4.208 4.320 0.015 0.000 0.215 122 A C 2.159 179.900 177.584 0.262 0.000 1.191 122 A CA 1.431 53.609 52.037 0.234 0.000 0.613 122 A CB -1.058 18.142 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 0.891 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 0.666 120.282 119.800 -0.306 0.000 2.123 124 Q HA -0.148 4.200 4.340 0.015 0.000 0.199 124 Q C 2.556 178.581 176.000 0.042 0.000 0.966 124 Q CA 1.894 57.519 55.803 -0.295 0.000 0.845 124 Q CB -0.560 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 0.680 120.035 119.300 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 0.572 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 0.201 120.981 120.570 0.351 0.000 2.233 126 I HA -0.143 4.036 4.170 0.015 0.000 0.243 126 I C 2.631 178.955 176.117 0.346 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 0.197 120.604 120.200 0.345 0.000 2.204 127 E HA -0.276 4.083 4.350 0.015 0.000 0.195 127 E C 2.053 178.781 176.600 0.213 0.000 0.990 127 E CA 1.154 57.734 56.400 0.300 0.000 0.821 127 E CB -0.011 29.934 29.700 0.408 0.000 0.750 127 E HN 0.492 nan 8.360 nan 0.000 0.477 128 Y N -0.521 119.806 120.300 0.045 0.000 2.153 128 Y HA -0.214 4.342 4.550 0.010 0.000 0.289 128 Y C 1.609 177.421 175.900 -0.148 0.000 1.119 128 Y CA 1.618 59.651 58.100 -0.112 0.000 1.116 128 Y CB -0.484 37.812 38.460 -0.273 0.000 1.004 128 Y HN 0.040 nan 8.280 nan 0.000 0.501 129 Y N 0.269 120.581 120.300 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 1.033 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 0.295 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 2.588 180.195 177.584 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 -1.270 107.518 108.800 -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 1.034 46.098 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 4.855 4.340 0.015 0.000 0.222 132 L C 2.783 179.635 176.870 -0.030 0.000 1.096 132 L CA 1.091 55.840 54.840 -0.151 0.000 0.857 132 L CB -0.143 41.753 42.059 -0.271 0.000 1.026 132 L HN 0.137 nan 8.230 nan 0.000 0.469 133 A N 0.778 123.601 122.820 0.006 0.000 1.908 133 A HA -0.071 4.258 4.320 0.015 0.000 0.218 133 A C -0.306 177.269 177.584 -0.015 0.000 1.181 133 A CA 1.727 53.771 52.037 0.012 0.000 0.627 133 A CB -1.816 17.192 19.000 0.014 0.000 0.818 133 A HN 0.400 nan 8.150 nan 0.000 0.445 134 P HA 0.004 nan 4.420 nan 0.000 0.239 134 P C 0.925 178.212 177.300 -0.023 0.000 1.184 134 P CA 1.169 64.252 63.100 -0.028 0.000 0.760 134 P CB 0.111 31.795 31.700 -0.026 0.000 0.884 135 T N -1.185 113.357 114.554 -0.019 0.000 3.037 135 T HA 0.106 4.465 4.350 0.015 0.000 0.252 135 T C 0.526 175.227 174.700 0.000 0.000 1.073 135 T CA -0.122 61.969 62.100 -0.014 0.000 1.091 135 T CB -0.321 68.534 68.868 -0.023 0.000 0.935 135 T HN -0.115 nan 8.240 nan 0.000 0.488 136 L N 3.806 125.033 121.223 0.006 0.000 2.667 136 L HA 0.144 4.493 4.340 0.015 0.000 0.278 136 L C 0.692 177.571 176.870 0.016 0.000 1.217 136 L CA 0.474 55.325 54.840 0.019 0.000 0.935 136 L CB -0.743 41.328 42.059 0.020 0.000 1.193 136 L HN 0.310 nan 8.230 nan 0.000 0.493 137 S N 1.440 117.155 115.700 0.025 0.000 2.643 137 S HA 0.952 5.431 4.470 0.015 0.000 0.270 137 S C -0.383 174.244 174.600 0.044 0.000 1.166 137 S CA -0.319 57.899 58.200 0.030 0.000 0.815 137 S CB 1.463 64.676 63.200 0.022 0.000 1.139 137 S HN 0.728 nan 8.310 nan 0.000 0.472 138 G N -0.629 108.208 108.800 0.061 0.000 3.140 138 G HA2 0.675 4.644 3.960 0.015 0.000 0.271 138 G HA3 0.675 4.644 3.960 0.015 0.000 0.271 138 G C -1.502 173.456 174.900 0.096 0.000 1.370 138 G CA -0.850 44.299 45.100 0.081 0.000 1.014 138 G HN 0.753 nan 8.290 nan 0.000 0.541 139 Q N -0.948 118.925 119.800 0.120 0.000 2.306 139 Q HA 0.419 4.768 4.340 0.015 0.000 0.269 139 Q C -1.234 174.906 176.000 0.233 0.000 1.053 139 Q CA -0.840 55.048 55.803 0.141 0.000 0.879 139 Q CB 2.360 31.158 28.738 0.100 0.000 1.344 139 Q HN 0.590 nan 8.270 nan 0.000 0.464 140 H N 1.193 120.337 119.070 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 0.308 30.138 29.762 0.113 0.000 1.598 140 H HN 0.570 nan 8.280 nan 0.000 0.518 141 I N 3.938 124.472 120.570 -0.060 0.000 2.530 141 I HA 0.225 4.404 4.170 0.015 0.000 0.297 141 I C -0.120 175.969 176.117 -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 40.513 38.000 0.021 0.000 1.285 141 I HN 0.422 nan 8.210 nan 0.000 0.436 142 Q N 5.247 125.076 119.800 0.048 0.000 2.274 142 Q HA 0.568 4.917 4.340 0.015 0.000 0.256 142 Q C -0.992 175.043 176.000 0.059 0.000 0.927 142 Q CA -0.371 55.479 55.803 0.078 0.000 0.939 142 Q CB 1.927 30.724 28.738 0.098 0.000 1.201 142 Q HN 0.468 nan 8.270 nan 0.000 0.426 143 L N 3.088 124.351 121.223 0.067 0.000 2.365 143 L HA 0.563 4.912 4.340 0.015 0.000 0.267 143 L C -2.068 174.824 176.870 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 0.372 63.483 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 1.920 110.735 108.800 0.024 0.000 2.295 145 G HA2 -0.046 3.923 3.960 0.015 0.000 0.287 145 G HA3 -0.046 3.923 3.960 0.015 0.000 0.287 145 G C 0.967 175.891 174.900 0.040 0.000 1.055 145 G CA 0.566 45.681 45.100 0.026 0.000 0.922 145 G HN 1.037 nan 8.290 nan 0.000 0.503 146 G N -1.247 107.584 108.800 0.053 0.000 2.377 146 G HA2 0.078 4.047 3.960 0.015 0.000 0.250 146 G HA3 0.078 4.047 3.960 0.015 0.000 0.250 146 G C 1.239 176.217 174.900 0.131 0.000 1.039 146 G CA 1.463 46.610 45.100 0.079 0.000 0.625 146 G HN 2.383 nan 8.290 nan 0.000 0.526 147 A N 0.134 123.016 122.820 0.103 0.000 2.406 147 A HA 0.721 5.050 4.320 0.015 0.000 0.243 147 A C -0.020 177.677 177.584 0.190 0.000 1.082 147 A CA 0.975 53.078 52.037 0.110 0.000 0.786 147 A CB 0.134 19.142 19.000 0.012 0.000 1.029 147 A HN 1.867 nan 8.150 nan 0.000 0.495 148 F N -1.761 118.171 119.950 -0.031 0.000 2.626 148 F HA 0.821 5.355 4.527 0.011 0.000 0.311 148 F C -0.296 175.444 175.800 -0.099 0.000 1.088 148 F CA -0.670 57.276 58.000 -0.088 0.000 0.949 148 F CB 1.175 40.106 39.000 -0.115 0.000 1.322 148 F HN 0.807 nan 8.300 nan 0.000 0.461 149 A N 1.781 124.551 122.820 -0.084 0.000 2.430 149 A HA 0.934 5.263 4.320 0.015 0.000 0.300 149 A C -2.019 175.570 177.584 0.008 0.000 1.124 149 A CA -0.699 51.230 52.037 -0.181 0.000 0.766 149 A CB 1.534 20.446 19.000 -0.146 0.000 1.328 149 A HN 1.648 nan 8.150 nan 0.000 0.424 150 Y N -1.598 118.659 120.300 -0.073 0.000 2.558 150 Y HA 0.670 5.226 4.550 0.010 0.000 0.333 150 Y C -0.453 175.452 175.900 0.007 0.000 1.125 150 Y CA -0.587 57.523 58.100 0.016 0.000 1.039 150 Y CB 0.695 39.232 38.460 0.128 0.000 1.331 150 Y HN 0.886 nan 8.280 nan 0.000 0.456 151 T N 0.973 115.653 114.554 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 1.562 70.465 68.868 0.058 0.000 1.006 151 T HN 0.821 nan 8.240 nan 0.000 0.468 152 R N 1.279 121.866 120.500 0.145 0.000 2.445 152 R HA 0.461 4.810 4.340 0.015 0.000 0.308 152 R C -0.175 176.175 176.300 0.084 0.000 0.961 152 R CA -0.899 55.288 56.100 0.144 0.000 0.862 152 R CB 1.975 32.363 30.300 0.146 0.000 1.144 152 R HN 0.614 nan 8.270 nan 0.000 0.447 153 R N 2.923 123.466 120.500 0.071 0.000 2.205 153 R HA 0.107 4.456 4.340 0.015 0.000 0.342 153 R C -0.736 175.599 176.300 0.059 0.000 1.058 153 R CA -0.046 56.088 56.100 0.057 0.000 0.904 153 R CB 0.584 30.913 30.300 0.050 0.000 1.089 153 R HN 0.628 nan 8.270 nan 0.000 0.471 154 E N 5.550 125.788 120.200 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 -2.338 54.108 56.400 0.077 0.000 0.809 154 E CB 1.875 31.620 29.700 0.076 0.000 1.190 154 E HN 0.480 nan 8.360 nan 0.000 0.406 155 P HA 0.013 nan 4.420 nan 0.000 0.272 155 P C 0.184 177.564 177.300 0.133 0.000 1.230 155 P CA -0.301 62.909 63.100 0.184 0.000 0.788 155 P CB 1.024 32.915 31.700 0.319 0.000 0.949 156 L N 0.690 121.946 121.223 0.054 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 2.345 57.137 54.840 -0.081 0.000 0.767 156 L CB -1.548 40.424 42.059 -0.144 0.000 0.917 156 L HN 0.873 nan 8.230 nan 0.000 0.441 157 G N -1.722 106.854 108.800 -0.373 0.000 2.113 157 G HA2 -0.079 3.890 3.960 0.015 0.000 0.082 157 G HA3 -0.079 3.890 3.960 0.015 0.000 0.082 157 G C -1.122 173.345 174.900 -0.721 0.000 1.155 157 G CA -0.282 44.294 45.100 -0.873 0.000 1.241 157 G HN -0.156 nan 8.290 nan 0.000 0.453 158 V N 1.137 120.801 119.914 -0.417 0.000 2.350 158 V HA 0.490 4.619 4.120 0.015 0.000 0.276 158 V C 0.176 176.196 176.094 -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 0.813 nan 8.190 nan 0.000 0.453 159 C N 5.150 124.425 119.300 -0.043 0.000 2.307 159 C HA 0.772 5.241 4.460 0.015 0.000 0.340 159 C C 0.850 175.883 174.990 0.073 0.000 1.275 159 C CA -0.689 58.356 59.018 0.046 0.000 1.811 159 C CB 0.213 28.058 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 -0.733 174.296 174.900 0.215 0.000 1.245 161 G CA -0.424 44.802 45.100 0.209 0.000 0.935 161 G HN 0.652 nan 8.290 nan 0.000 0.476 162 I N 3.496 124.173 120.570 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 -0.382 61.033 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 4.959 126.210 121.223 0.047 0.000 2.479 163 L HA 0.723 5.072 4.340 0.015 0.000 0.249 163 L C 0.581 177.412 176.870 -0.065 0.000 1.178 163 L CA -0.467 54.346 54.840 -0.046 0.000 0.811 163 L CB 0.650 42.691 42.059 -0.029 0.000 1.187 163 L HN 0.598 nan 8.230 nan 0.000 0.480 164 A N -0.318 122.433 122.820 -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 19.722 19.000 -0.353 0.000 1.357 164 A HN 0.920 nan 8.150 nan 0.000 0.443 165 W N 0.651 121.996 121.300 0.075 0.000 3.114 165 W HA 0.030 4.700 4.660 0.017 0.000 0.279 165 W C 0.815 177.377 176.519 0.072 0.000 1.277 165 W CA 0.687 58.081 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 1.413 119.973 118.700 -0.233 0.000 2.381 166 N HA -0.218 4.530 4.740 0.015 0.000 0.182 166 N C -0.476 174.904 175.510 -0.217 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 -0.618 119.636 120.300 -0.076 0.000 2.513 167 Y HA 0.401 4.961 4.550 0.017 0.000 0.341 167 Y C -1.886 173.966 175.900 -0.080 0.000 1.075 167 Y CA -2.013 56.028 58.100 -0.098 0.000 1.190 167 Y CB 1.788 40.109 38.460 -0.232 0.000 1.111 167 Y HN -0.092 nan 8.280 nan 0.000 0.644 168 P HA -0.259 nan 4.420 nan 0.000 0.213 168 P C 1.710 179.068 177.300 0.097 0.000 1.176 168 P CA 1.682 64.849 63.100 0.113 0.000 0.919 168 P CB 0.163 31.957 31.700 0.157 0.000 0.791 169 F N -1.270 118.673 119.950 -0.013 0.000 2.186 169 F HA -0.088 4.448 4.527 0.016 0.000 0.299 169 F C 2.474 178.227 175.800 -0.078 0.000 1.090 169 F CA 1.361 59.345 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 -0.358 119.251 119.600 0.014 0.000 2.099 170 M HA -0.189 4.300 4.480 0.015 0.000 0.262 170 M C 2.362 178.338 176.300 -0.541 0.000 1.067 170 M CA 1.798 56.932 55.300 -0.277 0.000 1.124 170 M CB -0.450 31.930 32.600 -0.368 0.000 1.353 170 M HN 0.333 nan 8.290 nan 0.000 0.410 171 I N 0.145 120.463 120.570 -0.421 0.000 2.286 171 I HA -0.239 3.940 4.170 0.015 0.000 0.248 171 I C 2.272 178.262 176.117 -0.212 0.000 1.115 171 I CA 1.516 62.624 61.300 -0.319 0.000 1.392 171 I CB -0.212 37.660 38.000 -0.213 0.000 1.065 171 I HN 0.351 nan 8.210 nan 0.000 0.418 172 A N 0.886 123.508 122.820 -0.331 0.000 1.902 172 A HA -0.186 4.143 4.320 0.015 0.000 0.217 172 A C 2.492 179.874 177.584 -0.337 0.000 1.181 172 A CA 1.822 53.524 52.037 -0.558 0.000 0.623 172 A CB -1.050 17.460 19.000 -0.817 0.000 0.818 172 A HN 0.575 nan 8.150 nan 0.000 0.443 173 A N -1.566 121.107 122.820 -0.245 0.000 1.902 173 A HA -0.153 4.176 4.320 0.015 0.000 0.217 173 A C 1.873 179.584 177.584 0.212 0.000 1.181 173 A CA 1.518 53.540 52.037 -0.024 0.000 0.623 173 A CB -0.844 18.132 19.000 -0.040 0.000 0.818 173 A HN 0.718 nan 8.150 nan 0.000 0.443 174 W N 0.335 121.593 121.300 -0.070 0.000 2.421 174 W HA 0.007 4.681 4.660 0.024 0.000 0.270 174 W C 2.058 178.531 176.519 -0.078 0.000 1.233 174 W CA 1.139 58.472 57.345 -0.020 0.000 1.226 174 W CB -0.192 29.263 29.460 -0.008 0.000 1.121 174 W HN 0.387 nan 8.180 nan 0.000 0.579 175 K N -1.677 118.774 120.400 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 1.115 57.389 56.287 -0.023 0.000 0.978 175 K CB -0.495 32.014 32.500 0.015 0.000 0.842 175 K HN -0.035 nan 8.250 nan 0.000 0.474 176 C N 1.289 120.553 119.300 -0.059 0.000 2.453 176 C HA -0.035 4.434 4.460 0.015 0.000 0.277 176 C C 2.829 177.738 174.990 -0.134 0.000 1.262 176 C CA 0.852 59.833 59.018 -0.062 0.000 1.718 176 C CB -0.839 26.950 27.740 0.081 0.000 2.031 176 C HN 0.542 nan 8.230 nan 0.000 0.480 177 A N 2.696 125.514 122.820 -0.004 0.000 1.863 177 A HA -0.223 4.106 4.320 0.015 0.000 0.218 177 A C 0.591 178.032 177.584 -0.238 0.000 1.233 177 A CA 2.836 54.907 52.037 0.055 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 2.133 64.603 63.100 -1.049 0.000 0.848 178 P CB -0.283 30.620 31.700 -1.329 0.000 0.787 179 A N 0.185 122.548 122.820 -0.761 0.000 1.884 179 A HA -0.212 4.117 4.320 0.015 0.000 0.219 179 A C 2.311 179.858 177.584 -0.062 0.000 1.197 179 A CA 2.119 53.902 52.037 -0.423 0.000 0.637 179 A CB -1.667 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 -0.621 120.565 121.223 -0.063 0.000 2.027 180 L HA -0.034 4.315 4.340 0.015 0.000 0.206 180 L C 3.030 180.101 176.870 0.334 0.000 1.074 180 L CA 1.804 56.741 54.840 0.162 0.000 0.745 180 L CB -1.021 40.965 42.059 -0.123 0.000 0.898 180 L HN 0.394 nan 8.230 nan 0.000 0.433 181 A N -1.539 121.371 122.820 0.149 0.000 1.997 181 A HA -0.285 4.044 4.320 0.015 0.000 0.221 181 A C 2.281 179.925 177.584 0.099 0.000 1.172 181 A CA 2.119 54.241 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 -1.824 117.535 119.300 0.099 0.000 2.626 182 C HA 0.446 4.915 4.460 0.015 0.000 0.266 182 C C 2.027 177.099 174.990 0.138 0.000 1.317 182 C CA 0.392 59.476 59.018 0.109 0.000 1.716 182 C CB -1.000 26.825 27.740 0.142 0.000 1.819 182 C HN 1.110 nan 8.230 nan 0.000 0.578 183 G N 1.093 110.021 108.800 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 -0.105 175.122 174.900 0.544 0.000 0.986 183 G CA -0.203 45.033 45.100 0.226 0.000 0.643 183 G HN 0.520 nan 8.290 nan 0.000 0.522 184 N N 0.617 119.580 118.700 0.437 0.000 2.381 184 N HA 0.589 5.338 4.740 0.015 0.000 0.254 184 N C 0.321 175.992 175.510 0.268 0.000 1.264 184 N CA 0.562 53.804 53.050 0.320 0.000 0.942 184 N CB 1.183 39.778 38.487 0.180 0.000 1.190 184 N HN 0.668 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 0.629 4.958 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 51.468 52.037 0.017 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 1.261 121.152 119.914 -0.039 0.000 2.680 186 V HA 0.595 4.724 4.120 0.015 0.000 0.309 186 V C -0.731 175.378 176.094 0.025 0.000 1.052 186 V CA -0.476 61.840 62.300 0.027 0.000 0.908 186 V CB 1.918 33.789 31.823 0.080 0.000 1.001 186 V HN 0.664 nan 8.190 nan 0.000 0.431 187 V N 5.221 125.164 119.914 0.048 0.000 2.462 187 V HA 0.524 4.653 4.120 0.015 0.000 0.288 187 V C -0.761 175.388 176.094 0.091 0.000 1.020 187 V CA -0.483 61.813 62.300 -0.006 0.000 0.857 187 V CB 1.089 32.884 31.823 -0.048 0.000 1.013 187 V HN 0.770 nan 8.190 nan 0.000 0.431 188 F N 1.859 121.860 119.950 0.085 0.000 2.556 188 F HA 0.804 5.340 4.527 0.015 0.000 0.327 188 F C -0.424 175.440 175.800 0.106 0.000 1.059 188 F CA -1.504 56.549 58.000 0.087 0.000 0.953 188 F CB 1.813 40.861 39.000 0.080 0.000 1.227 188 F HN 0.307 nan 8.300 nan 0.000 0.478 189 K N 3.507 124.152 120.400 0.408 0.000 2.521 189 K HA 0.498 4.827 4.320 0.015 0.000 0.248 189 K C -2.990 173.805 176.600 0.324 0.000 0.978 189 K CA -1.949 54.517 56.287 0.298 0.000 0.947 189 K CB 1.441 34.063 32.500 0.204 0.000 1.165 189 K HN 0.398 nan 8.250 nan 0.000 0.445 190 P HA -0.028 nan 4.420 nan 0.000 0.272 190 P C -0.714 176.720 177.300 0.223 0.000 1.240 190 P CA -0.363 62.902 63.100 0.274 0.000 0.791 190 P CB 0.777 32.653 31.700 0.294 0.000 0.978 191 S N 2.242 118.073 115.700 0.218 0.000 2.533 191 S HA 0.104 4.583 4.470 0.015 0.000 0.282 191 S C -1.162 173.570 174.600 0.219 0.000 1.304 191 S CA -1.235 57.115 58.200 0.251 0.000 1.063 191 S CB -0.401 63.021 63.200 0.371 0.000 0.881 191 S HN 0.303 nan 8.310 nan 0.000 0.493 192 P HA -0.186 nan 4.420 nan 0.000 0.219 192 P C 1.155 178.536 177.300 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 -0.716 118.969 119.600 0.142 0.000 2.419 193 M HA -0.006 4.483 4.480 0.015 0.000 0.264 193 M C 0.702 177.077 176.300 0.124 0.000 1.082 193 M CA 1.578 56.941 55.300 0.106 0.000 1.119 193 M CB -0.366 32.228 32.600 -0.009 0.000 1.398 193 M HN -0.003 nan 8.290 nan 0.000 0.453 194 T N -2.778 111.876 114.554 0.166 0.000 3.630 194 T HA 0.294 4.653 4.350 0.015 0.000 0.238 194 T C -2.153 172.644 174.700 0.162 0.000 1.195 194 T CA -1.186 61.011 62.100 0.162 0.000 1.433 194 T CB 0.315 69.307 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 1.594 178.976 177.300 0.137 0.000 1.161 195 P CA 0.059 63.247 63.100 0.147 0.000 0.788 195 P CB 0.371 32.144 31.700 0.122 0.000 0.822 196 V N 1.986 121.965 119.914 0.108 0.000 2.216 196 V HA -0.199 3.930 4.120 0.015 0.000 0.243 196 V C 2.534 178.699 176.094 0.118 0.000 1.044 196 V CA 3.624 65.978 62.300 0.090 0.000 0.995 196 V CB -1.715 30.140 31.823 0.054 0.000 0.633 196 V HN 0.243 nan 8.190 nan 0.000 0.446 197 T N -1.779 112.857 114.554 0.137 0.000 2.897 197 T HA -0.063 4.296 4.350 0.015 0.000 0.271 197 T C 1.904 176.806 174.700 0.336 0.000 1.084 197 T CA 1.472 63.692 62.100 0.200 0.000 1.123 197 T CB -1.247 67.740 68.868 0.197 0.000 0.865 197 T HN 0.713 nan 8.240 nan 0.000 0.496 198 G N 1.213 110.187 108.800 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 0.880 46.191 45.100 0.352 0.000 0.782 198 G HN 0.474 nan 8.290 nan 0.000 0.554 199 V N 1.373 121.393 119.914 0.176 0.000 2.546 199 V HA -0.189 3.940 4.120 0.015 0.000 0.254 199 V C 2.688 178.743 176.094 -0.066 0.000 1.076 199 V CA 1.608 63.899 62.300 -0.015 0.000 1.087 199 V CB -0.376 31.427 31.823 -0.034 0.000 0.674 199 V HN 0.330 nan 8.190 nan 0.000 0.470 200 I N -0.485 120.131 120.570 0.077 0.000 2.127 200 I HA -0.230 3.949 4.170 0.015 0.000 0.241 200 I C 2.470 178.658 176.117 0.118 0.000 1.075 200 I CA 2.109 63.465 61.300 0.093 0.000 1.334 200 I CB -1.493 36.606 38.000 0.165 0.000 1.040 200 I HN 0.429 nan 8.210 nan 0.000 0.405 201 L N 1.471 122.839 121.223 0.241 0.000 1.990 201 L HA -0.221 4.128 4.340 0.015 0.000 0.213 201 L C 2.652 179.526 176.870 0.008 0.000 1.072 201 L CA 2.449 57.320 54.840 0.051 0.000 0.755 201 L CB -0.982 40.979 42.059 -0.162 0.000 0.889 201 L HN 0.241 nan 8.230 nan 0.000 0.432 202 A N -0.684 122.188 122.820 0.087 0.000 1.859 202 A HA -0.304 4.025 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 2.210 54.288 52.037 0.069 0.000 0.629 202 A CB -0.892 17.964 19.000 -0.240 0.000 0.830 202 A HN 0.664 nan 8.150 nan 0.000 0.446 203 E N -0.401 119.668 120.200 -0.218 0.000 2.058 203 E HA -0.203 4.156 4.350 0.015 0.000 0.194 203 E C 1.969 178.640 176.600 0.118 0.000 0.997 203 E CA 1.386 57.764 56.400 -0.036 0.000 0.801 203 E CB -0.417 29.231 29.700 -0.086 0.000 0.746 203 E HN 0.725 nan 8.360 nan 0.000 0.450 204 I N 0.470 121.055 120.570 0.025 0.000 2.208 204 I HA -0.285 3.894 4.170 0.015 0.000 0.245 204 I C 2.196 178.319 176.117 0.010 0.000 1.097 204 I CA 1.132 62.423 61.300 -0.016 0.000 1.363 204 I CB -0.343 37.591 38.000 -0.110 0.000 1.051 204 I HN 0.028 nan 8.210 nan 0.000 0.413 205 F N 0.657 120.641 119.950 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 1.473 59.456 58.000 -0.028 0.000 1.255 205 F CB -1.030 37.902 39.000 -0.114 0.000 0.997 205 F HN 0.156 nan 8.300 nan 0.000 0.479 206 H N -0.489 118.720 119.070 0.231 0.000 2.319 206 H HA -0.185 4.380 4.556 0.016 0.000 0.299 206 H C 2.232 177.639 175.328 0.131 0.000 1.092 206 H CA 1.789 57.939 56.048 0.170 0.000 1.302 206 H CB -0.526 29.361 29.762 0.208 0.000 1.373 206 H HN 0.374 nan 8.280 nan 0.000 0.497 207 E N 0.753 121.095 120.200 0.236 0.000 2.160 207 E HA -0.134 4.225 4.350 0.015 0.000 0.195 207 E C 2.306 178.978 176.600 0.120 0.000 0.991 207 E CA 0.845 57.333 56.400 0.146 0.000 0.810 207 E CB 0.030 29.791 29.700 0.101 0.000 0.742 207 E HN 0.403 nan 8.360 nan 0.000 0.466 208 A N 0.069 122.966 122.820 0.128 0.000 1.969 208 A HA 0.052 4.380 4.320 0.015 0.000 0.218 208 A C 1.842 179.507 177.584 0.134 0.000 1.169 208 A CA 1.479 53.594 52.037 0.129 0.000 0.635 208 A CB -0.321 18.783 19.000 0.174 0.000 0.810 208 A HN 0.527 nan 8.150 nan 0.000 0.445 209 G N -2.385 106.495 108.800 0.133 0.000 2.161 209 G HA2 0.006 3.975 3.960 0.015 0.000 0.140 209 G HA3 0.006 3.975 3.960 0.015 0.000 0.140 209 G C -0.069 174.901 174.900 0.118 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 1.343 121.278 119.914 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 -1.048 61.176 62.300 -0.127 0.000 1.063 210 V CB 1.249 32.838 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 -0.465 176.855 177.300 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 3.900 123.895 119.914 0.136 0.000 2.583 212 V HA 0.121 4.250 4.120 0.015 0.000 0.302 212 V C 1.701 177.922 176.094 0.213 0.000 1.033 212 V CA 2.113 64.561 62.300 0.247 0.000 1.194 212 V CB -0.686 31.234 31.823 0.162 0.000 0.879 212 V HN 1.068 nan 8.190 nan 0.000 0.482 213 G N 3.773 112.796 108.800 0.371 0.000 2.195 213 G HA2 -0.245 3.724 3.960 0.015 0.000 0.224 213 G HA3 -0.245 3.724 3.960 0.015 0.000 0.224 213 G C 0.488 175.450 174.900 0.103 0.000 0.990 213 G CA 0.271 45.501 45.100 0.216 0.000 0.639 213 G HN 0.723 nan 8.290 nan 0.000 0.514 214 L N 0.767 121.966 121.223 -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 1.946 56.673 54.840 -0.189 0.000 0.752 214 L CB 0.109 41.872 42.059 -0.494 0.000 0.896 214 L HN 0.269 nan 8.230 nan 0.000 0.433 215 V N 1.401 121.263 119.914 -0.087 0.000 2.407 215 V HA 0.421 4.550 4.120 0.015 0.000 0.291 215 V C -0.522 175.691 176.094 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 0.048 0.000 0.996 215 V HN 0.211 nan 8.190 nan 0.000 0.426 216 N N 2.836 121.581 118.700 0.075 0.000 2.402 216 N HA 0.801 5.550 4.740 0.015 0.000 0.294 216 N C -1.228 174.189 175.510 -0.154 0.000 1.203 216 N CA -0.478 52.653 53.050 0.134 0.000 0.838 216 N CB 2.781 41.349 38.487 0.135 0.000 1.306 216 N HN 0.363 nan 8.380 nan 0.000 0.510 217 V N 0.577 120.495 119.914 0.008 0.000 2.668 217 V HA 0.420 4.548 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 1.799 33.502 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 4.849 4.120 0.015 0.000 0.302 218 V C -0.548 175.652 176.094 0.178 0.000 1.035 218 V CA -0.647 61.781 62.300 0.215 0.000 0.873 218 V CB 1.788 33.687 31.823 0.126 0.000 0.992 218 V HN 0.742 nan 8.190 nan 0.000 0.428 219 Q N 1.986 121.899 119.800 0.190 0.000 2.199 219 Q HA 0.899 5.248 4.340 0.015 0.000 0.232 219 Q C 0.478 176.565 176.000 0.146 0.000 0.969 219 Q CA 0.558 56.458 55.803 0.161 0.000 0.925 219 Q CB 1.692 30.515 28.738 0.142 0.000 1.198 219 Q HN 1.595 nan 8.270 nan 0.000 0.494 220 G N -1.457 107.425 108.800 0.137 0.000 2.334 220 G HA2 0.321 4.290 3.960 0.015 0.000 0.315 220 G HA3 0.321 4.290 3.960 0.015 0.000 0.315 220 G C -0.566 174.411 174.900 0.129 0.000 1.284 220 G CA -0.302 44.871 45.100 0.122 0.000 0.985 220 G HN 0.773 nan 8.290 nan 0.000 0.504 221 G N -1.691 107.178 108.800 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 0.088 122.969 122.820 0.101 0.000 1.870 222 A HA -0.139 4.189 4.320 0.015 0.000 0.219 222 A C 2.136 179.765 177.584 0.075 0.000 1.224 222 A CA 2.633 54.719 52.037 0.083 0.000 0.650 222 A CB -0.895 18.147 19.000 0.071 0.000 0.836 222 A HN 0.491 nan 8.150 nan 0.000 0.454 223 E N -0.446 119.799 120.200 0.074 0.000 2.048 223 E HA -0.193 4.166 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 -1.414 28.326 29.700 0.067 0.000 0.756 223 E HN 0.670 nan 8.360 nan 0.000 0.454 224 T N 0.837 115.441 114.554 0.082 0.000 2.595 224 T HA -0.150 4.209 4.350 0.015 0.000 0.264 224 T C 1.978 176.727 174.700 0.081 0.000 1.058 224 T CA 1.839 63.989 62.100 0.083 0.000 1.166 224 T CB -0.939 67.986 68.868 0.094 0.000 0.863 224 T HN 0.453 nan 8.240 nan 0.000 0.415 225 G N 1.054 109.908 108.800 0.090 0.000 2.503 225 G HA2 -0.259 3.710 3.960 0.015 0.000 0.221 225 G HA3 -0.259 3.710 3.960 0.015 0.000 0.221 225 G C 1.874 176.796 174.900 0.036 0.000 1.131 225 G CA 1.400 46.550 45.100 0.083 0.000 0.756 225 G HN 0.512 nan 8.290 nan 0.000 0.572 226 S N 0.384 116.107 115.700 0.039 0.000 2.355 226 S HA -0.007 4.472 4.470 0.015 0.000 0.222 226 S C 2.312 176.950 174.600 0.063 0.000 1.031 226 S CA 0.938 59.148 58.200 0.016 0.000 0.993 226 S CB -0.295 62.969 63.200 0.108 0.000 0.859 226 S HN 0.349 nan 8.310 nan 0.000 0.453 227 L N 1.292 122.587 121.223 0.120 0.000 2.051 227 L HA -0.189 4.160 4.340 0.015 0.000 0.214 227 L C 2.276 179.219 176.870 0.121 0.000 1.076 227 L CA 1.156 56.081 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 2.678 179.565 176.870 0.028 0.000 1.077 228 L CA 1.301 56.169 54.840 0.047 0.000 0.747 228 L CB -0.661 41.422 42.059 0.040 0.000 0.896 228 L HN 0.415 nan 8.230 nan 0.000 0.432 229 C N -1.308 117.955 119.300 -0.062 0.000 2.432 229 C HA -0.112 4.357 4.460 0.015 0.000 0.280 229 C C 2.640 177.525 174.990 -0.175 0.000 1.353 229 C CA 0.236 59.159 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 -1.549 117.546 119.070 0.042 0.000 2.520 230 H HA 0.058 4.624 4.556 0.015 0.000 0.279 230 H C 0.733 176.078 175.328 0.028 0.000 0.990 230 H CA 0.434 56.495 56.048 0.022 0.000 1.288 230 H CB -0.645 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 4.174 123.295 119.070 0.084 0.000 3.125 231 H HA -0.031 4.534 4.556 0.015 0.000 0.310 231 H C -1.188 174.150 175.328 0.017 0.000 0.980 231 H CA -0.973 55.096 56.048 0.034 0.000 1.422 231 H CB 1.098 30.860 29.762 0.000 0.000 1.432 231 H HN 0.109 nan 8.280 nan 0.000 0.577 232 P HA -0.115 nan 4.420 nan 0.000 0.234 232 P C -0.250 177.129 177.300 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 -0.085 0.000 0.835 233 N N -0.835 118.113 118.700 0.413 0.000 2.203 233 N HA 0.125 4.874 4.740 0.015 0.000 0.207 233 N C -0.441 175.100 175.510 0.052 0.000 1.130 233 N CA -0.314 52.860 53.050 0.206 0.000 0.861 233 N CB 0.835 39.453 38.487 0.219 0.000 1.005 233 N HN -0.064 nan 8.380 nan 0.000 0.507 234 V N 1.343 121.296 119.914 0.066 0.000 2.383 234 V HA 0.318 4.447 4.120 0.015 0.000 0.275 234 V C 0.814 176.887 176.094 -0.035 0.000 1.036 234 V CA -0.168 62.118 62.300 -0.024 0.000 0.889 234 V CB 1.223 33.044 31.823 -0.004 0.000 0.985 234 V HN 0.192 nan 8.190 nan 0.000 0.459 235 A N 4.946 127.708 122.820 -0.097 0.000 2.030 235 A HA 0.210 4.539 4.320 0.015 0.000 0.215 235 A C 0.958 178.445 177.584 -0.162 0.000 1.164 235 A CA 0.674 52.620 52.037 -0.153 0.000 0.697 235 A CB 0.206 19.069 19.000 -0.229 0.000 0.827 235 A HN 0.634 nan 8.150 nan 0.000 0.457 236 K N -0.384 119.958 120.400 -0.097 0.000 2.502 236 K HA 0.573 4.902 4.320 0.015 0.000 0.257 236 K C -2.098 174.510 176.600 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 34.787 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 0.374 4.503 4.120 0.015 0.000 0.298 237 V C -0.609 175.540 176.094 0.092 0.000 1.031 237 V CA -0.715 61.627 62.300 0.070 0.000 0.871 237 V CB 1.586 33.442 31.823 0.055 0.000 0.988 237 V HN 0.766 nan 8.190 nan 0.000 0.432 238 S N 5.013 120.791 115.700 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 57.831 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 4.311 118.160 114.554 -1.174 0.000 2.949 240 T HA 0.725 5.084 4.350 0.015 0.000 0.300 240 T C -0.296 173.662 174.700 -1.237 0.000 0.988 240 T CA -0.276 61.279 62.100 -0.908 0.000 0.993 240 T CB 1.053 69.676 68.868 -0.408 0.000 0.984 240 T HN 1.106 nan 8.240 nan 0.000 0.442 241 G N 1.842 110.102 108.800 -0.901 0.000 2.356 241 G HA2 0.477 4.446 3.960 0.015 0.000 0.281 241 G HA3 0.477 4.446 3.960 0.015 0.000 0.281 241 G C -0.533 174.307 174.900 -0.099 0.000 1.246 241 G CA -0.221 44.599 45.100 -0.466 0.000 0.889 241 G HN 0.927 nan 8.290 nan 0.000 0.486 242 S N -0.567 115.169 115.700 0.061 0.000 2.584 242 S HA 0.382 4.861 4.470 0.015 0.000 0.270 242 S C 1.554 176.255 174.600 0.169 0.000 1.346 242 S CA 0.260 58.506 58.200 0.075 0.000 1.018 242 S CB 1.460 64.698 63.200 0.064 0.000 0.899 242 S HN 1.201 nan 8.310 nan 0.000 0.542 243 V N 2.470 122.462 119.914 0.130 0.000 2.261 243 V HA -0.074 4.055 4.120 0.015 0.000 0.246 243 V C -0.542 175.576 176.094 0.040 0.000 1.047 243 V CA 1.790 64.143 62.300 0.089 0.000 1.015 243 V CB -2.121 29.737 31.823 0.058 0.000 0.642 243 V HN 0.721 nan 8.190 nan 0.000 0.446 244 P HA -0.165 nan 4.420 nan 0.000 0.216 244 P C 1.792 179.078 177.300 -0.023 0.000 1.157 244 P CA 2.124 65.232 63.100 0.012 0.000 0.880 244 P CB -0.199 31.522 31.700 0.036 0.000 0.791 245 T N -1.492 113.058 114.554 -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 1.529 63.553 62.100 -0.127 0.000 1.142 245 T CB -1.439 67.430 68.868 0.000 0.000 0.868 245 T HN 0.162 nan 8.240 nan 0.000 0.435 246 G N 2.122 110.752 108.800 -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 1.590 176.325 174.900 -0.276 0.000 1.145 246 G CA 1.067 45.954 45.100 -0.355 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 -0.069 4.260 4.320 0.015 0.000 0.207 247 K C 2.631 179.156 176.600 -0.124 0.000 1.049 247 K CA 1.360 57.581 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 0.540 120.849 120.400 -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 1.118 57.325 56.287 -0.133 0.000 0.933 248 K CB -0.179 32.251 32.500 -0.117 0.000 0.714 248 K HN -0.079 nan 8.250 nan 0.000 0.438 249 V N 1.982 121.712 119.914 -0.305 0.000 2.324 249 V HA -0.307 3.821 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 -0.554 118.953 119.600 -0.155 0.000 2.159 250 M HA -0.202 4.286 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 1.834 57.102 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 0.412 nan 8.290 nan 0.000 0.411 251 E N -0.010 120.161 120.200 -0.049 0.000 2.072 251 E HA -0.197 4.162 4.350 0.015 0.000 0.191 251 E C 1.958 178.550 176.600 -0.012 0.000 0.985 251 E CA 1.662 58.049 56.400 -0.021 0.000 0.801 251 E CB -0.182 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 0.472 120.040 119.600 -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 0.975 56.231 55.300 -0.074 0.000 1.119 252 M CB -0.045 32.363 32.600 -0.320 0.000 1.377 252 M HN -0.066 nan 8.290 nan 0.000 0.415 253 S N 0.786 116.439 115.700 -0.078 0.000 2.419 253 S HA -0.074 4.405 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 1.165 59.346 58.200 -0.031 0.000 0.974 253 S CB -0.351 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 1.936 124.766 122.820 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 1.180 53.232 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 4.249 4.320 0.015 0.000 0.201 255 K C 0.799 177.427 176.600 0.047 0.000 1.046 255 K CA 1.495 57.816 56.287 0.056 0.000 0.940 255 K CB -0.128 32.430 32.500 0.097 0.000 0.748 255 K HN 0.418 nan 8.250 nan 0.000 0.465 256 T N -0.534 114.048 114.554 0.045 0.000 3.058 256 T HA 0.086 4.445 4.350 0.015 0.000 0.278 256 T C 0.074 174.796 174.700 0.037 0.000 0.974 256 T CA -0.094 62.029 62.100 0.038 0.000 0.893 256 T CB 0.794 69.687 68.868 0.043 0.000 1.138 256 T HN -0.102 nan 8.240 nan 0.000 0.529 257 V N 1.470 121.408 119.914 0.040 0.000 5.297 257 V HA -0.212 3.917 4.120 0.015 0.000 0.298 257 V C 0.462 176.609 176.094 0.087 0.000 0.408 257 V CA 0.581 62.910 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 0.504 120.950 120.400 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 0.401 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 0.560 119.626 119.070 -0.006 0.000 2.732 259 H HA 0.176 4.740 4.556 0.014 0.000 0.351 259 H C -0.327 175.015 175.328 0.023 0.000 1.090 259 H CA -0.665 55.383 56.048 -0.000 0.000 1.431 259 H CB 0.882 30.625 29.762 -0.030 0.000 1.447 259 H HN 0.097 nan 8.280 nan 0.000 0.582 260 V N 2.179 122.201 119.914 0.179 0.000 2.925 260 V HA 0.330 4.459 4.120 0.015 0.000 0.311 260 V C -0.228 176.026 176.094 0.266 0.000 1.104 260 V CA -0.822 61.589 62.300 0.183 0.000 0.954 260 V CB 2.319 34.252 31.823 0.184 0.000 1.022 260 V HN 0.995 nan 8.190 nan 0.000 0.427 261 T N 1.514 116.157 114.554 0.149 0.000 2.971 261 T HA 0.796 5.155 4.350 0.015 0.000 0.304 261 T C -1.257 173.396 174.700 -0.078 0.000 1.038 261 T CA -0.608 61.533 62.100 0.068 0.000 1.007 261 T CB 1.362 70.196 68.868 -0.058 0.000 1.055 261 T HN 0.427 nan 8.240 nan 0.000 0.451 262 L N 2.478 123.507 121.223 -0.323 0.000 2.376 262 L HA 0.528 4.877 4.340 0.015 0.000 0.275 262 L C -0.220 176.498 176.870 -0.253 0.000 0.987 262 L CA -0.830 53.870 54.840 -0.233 0.000 0.828 262 L CB 2.059 43.916 42.059 -0.337 0.000 1.249 262 L HN 0.681 nan 8.230 nan 0.000 0.409 263 E N 4.283 124.373 120.200 -0.183 0.000 2.261 263 E HA 0.285 4.644 4.350 0.015 0.000 0.239 263 E C -0.326 176.183 176.600 -0.152 0.000 0.991 263 E CA -0.578 55.692 56.400 -0.216 0.000 0.847 263 E CB 1.366 30.931 29.700 -0.226 0.000 1.223 263 E HN 0.322 nan 8.360 nan 0.000 0.446 264 L N 0.349 121.524 121.223 -0.079 0.000 2.671 264 L HA 0.305 4.654 4.340 0.015 0.000 0.188 264 L C 1.633 178.517 176.870 0.023 0.000 1.165 264 L CA 0.186 55.029 54.840 0.006 0.000 0.926 264 L CB -0.612 41.486 42.059 0.064 0.000 1.664 264 L HN 0.391 nan 8.230 nan 0.000 0.512 265 G N -2.097 106.761 108.800 0.097 0.000 2.582 265 G HA2 0.573 4.542 3.960 0.015 0.000 0.232 265 G HA3 0.573 4.542 3.960 0.015 0.000 0.232 265 G C -0.562 174.349 174.900 0.018 0.000 1.458 265 G CA 0.077 45.204 45.100 0.044 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 -0.426 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 -0.049 176.519 176.600 -0.055 0.000 1.075 267 K CA -0.404 55.679 56.287 -0.340 0.000 0.843 267 K CB 0.179 32.558 32.500 -0.202 0.000 1.002 267 K HN 0.435 nan 8.250 nan 0.000 0.597 268 S N 3.668 119.359 115.700 -0.015 0.000 2.549 268 S HA 0.296 4.775 4.470 0.015 0.000 0.279 268 S C -2.394 172.293 174.600 0.145 0.000 1.321 268 S CA -0.755 57.501 58.200 0.093 0.000 1.054 268 S CB 0.603 63.890 63.200 0.145 0.000 0.899 268 S HN 0.472 nan 8.310 nan 0.000 0.497 269 P HA 0.357 nan 4.420 nan 0.000 0.294 269 P C -1.281 176.161 177.300 0.238 0.000 1.294 269 P CA -0.729 62.513 63.100 0.237 0.000 0.827 269 P CB 1.085 32.877 31.700 0.154 0.000 0.992 270 L N 4.938 126.319 121.223 0.262 0.000 2.305 270 L HA 0.413 4.762 4.340 0.015 0.000 0.284 270 L C -0.934 176.072 176.870 0.227 0.000 1.013 270 L CA -0.679 54.313 54.840 0.253 0.000 0.819 270 L CB 0.695 42.845 42.059 0.153 0.000 1.227 270 L HN 0.242 nan 8.230 nan 0.000 0.417 271 L N 6.349 127.684 121.223 0.186 0.000 2.287 271 L HA 0.518 4.867 4.340 0.015 0.000 0.287 271 L C -0.728 176.233 176.870 0.151 0.000 1.022 271 L CA -0.675 54.207 54.840 0.069 0.000 0.814 271 L CB 1.555 43.575 42.059 -0.065 0.000 1.217 271 L HN 0.432 nan 8.230 nan 0.000 0.420 272 I N 3.453 124.063 120.570 0.066 0.000 2.354 272 I HA 0.367 4.546 4.170 0.015 0.000 0.286 272 I C -0.196 175.935 176.117 0.024 0.000 1.007 272 I CA -0.312 61.018 61.300 0.049 0.000 1.167 272 I CB 0.948 38.795 38.000 -0.255 0.000 1.320 272 I HN 0.342 nan 8.210 nan 0.000 0.458 273 F N 4.976 125.039 119.950 0.188 0.000 2.377 273 F HA 0.289 4.824 4.527 0.015 0.000 0.328 273 F C 1.830 177.658 175.800 0.046 0.000 1.094 273 F CA -0.652 57.446 58.000 0.164 0.000 1.093 273 F CB 1.261 40.361 39.000 0.167 0.000 1.214 273 F HN 0.444 nan 8.300 nan 0.000 0.518 274 K N -0.132 120.369 120.400 0.169 0.000 2.360 274 K HA -0.172 4.157 4.320 0.015 0.000 0.201 274 K C 0.522 177.180 176.600 0.096 0.000 1.046 274 K CA 1.781 58.111 56.287 0.072 0.000 0.940 274 K CB -0.370 32.145 32.500 0.024 0.000 0.748 274 K HN 0.661 nan 8.250 nan 0.000 0.465 275 D N 1.548 122.033 120.400 0.141 0.000 2.325 275 D HA -0.040 4.609 4.640 0.015 0.000 0.225 275 D C 1.179 177.543 176.300 0.107 0.000 1.096 275 D CA -0.207 53.852 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 0.130 119.515 119.300 0.141 0.000 2.820 276 C HA 0.486 4.955 4.460 0.015 0.000 0.287 276 C C 0.423 175.482 174.990 0.115 0.000 1.664 276 C CA -0.855 58.258 59.018 0.158 0.000 2.071 276 C CB -0.048 27.816 27.740 0.205 0.000 2.008 276 C HN 0.232 nan 8.230 nan 0.000 0.619 277 E N 0.448 120.723 120.200 0.126 0.000 2.256 277 E HA 0.286 4.645 4.350 0.015 0.000 0.243 277 E C 0.697 177.337 176.600 0.066 0.000 0.925 277 E CA -0.264 56.191 56.400 0.091 0.000 0.748 277 E CB 1.160 30.919 29.700 0.098 0.000 1.206 277 E HN 0.593 nan 8.360 nan 0.000 0.428 278 L N 1.668 122.925 121.223 0.058 0.000 2.095 278 L HA -0.369 3.979 4.340 0.015 0.000 0.229 278 L C 2.452 179.344 176.870 0.037 0.000 1.097 278 L CA 1.818 56.697 54.840 0.065 0.000 0.813 278 L CB -0.196 41.910 42.059 0.078 0.000 0.907 278 L HN 0.534 nan 8.230 nan 0.000 0.445 279 E N 0.383 120.599 120.200 0.027 0.000 2.033 279 E HA -0.239 4.120 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 1.928 58.334 56.400 0.011 0.000 0.815 279 E CB -0.253 29.458 29.700 0.019 0.000 0.755 279 E HN 0.397 nan 8.360 nan 0.000 0.451 280 N N 0.028 118.741 118.700 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 -0.196 0.000 1.019 280 N CA 1.497 54.576 53.050 0.047 0.000 0.857 280 N CB -0.465 38.141 38.487 0.199 0.000 0.997 280 N HN 0.314 nan 8.380 nan 0.000 0.426 281 A N 0.814 123.411 122.820 -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 -0.868 0.000 0.628 281 A CB -0.688 18.051 19.000 -0.436 0.000 0.814 281 A HN 0.103 nan 8.150 nan 0.000 0.444 282 V N 0.187 120.069 119.914 -0.054 0.000 2.295 282 V HA -0.281 3.848 4.120 0.015 0.000 0.246 282 V C 2.642 178.700 176.094 -0.060 0.000 1.049 282 V CA 2.234 64.549 62.300 0.024 0.000 1.024 282 V CB -0.840 30.954 31.823 -0.049 0.000 0.648 282 V HN 0.538 nan 8.190 nan 0.000 0.447 283 R N 0.157 120.612 120.500 -0.075 0.000 2.083 283 R HA -0.136 4.213 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 1.585 57.661 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 1.173 109.917 108.800 -0.093 0.000 2.545 284 G HA2 -0.334 3.635 3.960 0.015 0.000 0.217 284 G HA3 -0.334 3.635 3.960 0.015 0.000 0.217 284 G C 1.615 176.446 174.900 -0.116 0.000 1.218 284 G CA 1.142 46.259 45.100 0.028 0.000 0.787 284 G HN 0.436 nan 8.290 nan 0.000 0.571 285 A N -0.014 122.716 122.820 -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 1.941 53.901 52.037 -0.129 0.000 0.639 285 A CB -0.482 18.588 19.000 0.117 0.000 0.820 285 A HN 0.350 nan 8.150 nan 0.000 0.451 286 L N -1.093 120.049 121.223 -0.135 0.000 1.973 286 L HA -0.105 4.244 4.340 0.015 0.000 0.208 286 L C 2.656 179.430 176.870 -0.160 0.000 1.073 286 L CA 1.906 56.692 54.840 -0.091 0.000 0.746 286 L CB -0.708 41.360 42.059 0.016 0.000 0.891 286 L HN 0.321 nan 8.230 nan 0.000 0.433 287 M N -1.092 118.439 119.600 -0.115 0.000 2.267 287 M HA -0.131 4.358 4.480 0.015 0.000 0.263 287 M C 2.029 178.203 176.300 -0.210 0.000 1.063 287 M CA 1.566 56.801 55.300 -0.108 0.000 1.090 287 M CB -1.325 31.245 32.600 -0.051 0.000 1.392 287 M HN 0.355 nan 8.290 nan 0.000 0.422 288 A N -0.569 122.014 122.820 -0.396 0.000 2.238 288 A HA -0.013 4.316 4.320 0.015 0.000 0.208 288 A C 1.745 178.999 177.584 -0.550 0.000 1.177 288 A CA 0.829 52.438 52.037 -0.713 0.000 0.804 288 A CB -0.324 17.864 19.000 -1.353 0.000 0.823 288 A HN 0.515 nan 8.150 nan 0.000 0.482 289 N N -2.110 116.239 118.700 -0.584 0.000 2.272 289 N HA 0.150 4.899 4.740 0.015 0.000 0.228 289 N C -0.503 174.521 175.510 -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 0.351 176.103 175.800 -0.079 0.000 1.124 290 F CA -0.387 57.560 58.000 -0.088 0.000 1.252 290 F CB -0.086 38.870 39.000 -0.073 0.000 1.010 290 F HN -0.250 nan 8.300 nan 0.000 0.518 291 L N 0.175 121.416 121.223 0.030 0.000 2.395 291 L HA 0.271 4.620 4.340 0.015 0.000 0.269 291 L C 1.012 177.869 176.870 -0.022 0.000 1.133 291 L CA -0.197 54.650 54.840 0.012 0.000 0.812 291 L CB 0.451 42.513 42.059 0.004 0.000 1.125 291 L HN 0.188 nan 8.230 nan 0.000 0.452 292 T N 2.499 117.024 114.554 -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 0.737 62.770 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 -1.929 117.852 119.800 -0.031 0.000 2.450 293 Q HA -0.212 4.137 4.340 0.015 0.000 0.255 293 Q C 1.352 177.340 176.000 -0.020 0.000 1.003 293 Q CA 2.312 58.107 55.803 -0.013 0.000 1.097 293 Q CB -1.983 26.736 28.738 -0.032 0.000 1.544 293 Q HN 1.730 nan 8.270 nan 0.000 0.531 294 G N -0.800 107.983 108.800 -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 -0.283 119.263 119.800 -0.424 0.000 2.399 295 Q HA 0.438 4.787 4.340 0.015 0.000 0.307 295 Q C -0.023 175.354 176.000 -1.038 0.000 0.933 295 Q CA -0.161 55.043 55.803 -0.998 0.000 0.995 295 Q CB 1.155 29.679 28.738 -0.356 0.000 1.191 295 Q HN 0.329 nan 8.270 nan 0.000 0.426 296 V N 0.894 120.453 119.914 -0.592 0.000 2.384 296 V HA 0.009 4.138 4.120 0.015 0.000 0.287 296 V C 1.384 177.520 176.094 0.071 0.000 1.020 296 V CA -0.726 61.507 62.300 -0.112 0.000 0.850 296 V CB 1.091 32.922 31.823 0.014 0.000 0.987 296 V HN 0.688 nan 8.190 nan 0.000 0.436 297 C N 1.638 121.136 119.300 0.329 0.000 2.411 297 C HA -0.117 4.352 4.460 0.015 0.000 0.279 297 C C 2.311 177.406 174.990 0.174 0.000 1.288 297 C CA 1.177 60.387 59.018 0.320 0.000 1.764 297 C CB -1.742 26.129 27.740 0.218 0.000 1.974 297 C HN 0.922 nan 8.230 nan 0.000 0.498 298 T N -1.808 112.840 114.554 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 -0.160 62.052 62.100 0.187 0.000 1.010 298 T CB -1.194 67.762 68.868 0.146 0.000 0.984 298 T HN 0.707 nan 8.240 nan 0.000 0.537 299 N N 1.317 120.099 118.700 0.137 0.000 2.483 299 N HA 0.314 5.063 4.740 0.015 0.000 0.264 299 N C 0.582 176.102 175.510 0.018 0.000 1.197 299 N CA -0.378 52.692 53.050 0.033 0.000 0.927 299 N CB 0.486 38.911 38.487 -0.105 0.000 1.065 299 N HN 0.434 nan 8.380 nan 0.000 0.461 300 G N 0.902 109.613 108.800 -0.149 0.000 3.213 300 G HA2 -0.029 3.940 3.960 0.015 0.000 0.263 300 G HA3 -0.029 3.940 3.960 0.015 0.000 0.263 300 G C 1.177 175.990 174.900 -0.145 0.000 0.829 300 G CA -0.460 44.586 45.100 -0.089 0.000 1.983 300 G HN 0.672 nan 8.290 nan 0.000 0.616 301 T N -1.917 112.576 114.554 -0.102 0.000 3.155 301 T HA 0.014 4.373 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 0.198 62.230 62.100 -0.114 0.000 1.075 301 T CB 0.171 68.982 68.868 -0.095 0.000 0.921 301 T HN 0.335 nan 8.240 nan 0.000 0.533 302 R N 1.167 121.653 120.500 -0.023 0.000 2.494 302 R HA 0.485 4.833 4.340 0.015 0.000 0.284 302 R C -1.509 174.781 176.300 -0.016 0.000 1.525 302 R CA -0.439 55.644 56.100 -0.028 0.000 1.460 302 R CB 0.791 31.152 30.300 0.103 0.000 1.134 302 R HN 0.153 nan 8.270 nan 0.000 0.592 303 V N 5.217 125.064 119.914 -0.113 0.000 2.408 303 V HA 0.297 4.426 4.120 0.015 0.000 0.267 303 V C -0.312 175.688 176.094 -0.155 0.000 1.047 303 V CA -0.194 62.076 62.300 -0.050 0.000 0.937 303 V CB 0.382 32.189 31.823 -0.027 0.000 0.999 303 V HN 0.437 nan 8.190 nan 0.000 0.472 304 F N 4.163 124.102 119.950 -0.018 0.000 2.385 304 F HA 0.547 5.083 4.527 0.015 0.000 0.360 304 F C 0.192 176.046 175.800 0.090 0.000 1.122 304 F CA -0.627 57.400 58.000 0.045 0.000 1.090 304 F CB 1.512 40.474 39.000 -0.063 0.000 1.150 304 F HN 0.191 nan 8.300 nan 0.000 0.472 305 V N 3.436 123.445 119.914 0.159 0.000 2.459 305 V HA 0.286 4.415 4.120 0.015 0.000 0.295 305 V C -0.074 175.848 176.094 -0.288 0.000 1.029 305 V CA -1.149 61.091 62.300 -0.099 0.000 0.874 305 V CB 1.554 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 3.643 123.045 119.800 -0.663 0.000 2.255 306 Q HA 0.099 4.448 4.340 0.015 0.000 0.280 306 Q C 1.497 177.175 176.000 -0.537 0.000 1.068 306 Q CA 0.190 55.268 55.803 -1.208 0.000 0.911 306 Q CB 0.446 28.633 28.738 -0.918 0.000 1.157 306 Q HN 0.643 nan 8.270 nan 0.000 0.380 307 R N 3.087 123.315 120.500 -0.453 0.000 2.190 307 R HA -0.347 4.002 4.340 0.015 0.000 0.255 307 R C 1.092 177.311 176.300 -0.135 0.000 1.143 307 R CA 2.648 58.621 56.100 -0.212 0.000 0.965 307 R CB 0.068 30.275 30.300 -0.156 0.000 0.889 307 R HN 0.772 nan 8.270 nan 0.000 0.448 308 E N 0.139 120.260 120.200 -0.132 0.000 2.097 308 E HA -0.209 4.150 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 1.901 58.258 56.400 -0.070 0.000 0.804 308 E CB -0.290 29.378 29.700 -0.054 0.000 0.740 308 E HN 0.731 nan 8.360 nan 0.000 0.454 309 I N -2.555 117.980 120.570 -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 2.895 122.495 119.600 0.000 0.000 2.113 310 M HA -0.129 4.359 4.480 0.015 0.000 0.255 310 M C -0.947 175.416 176.300 0.105 0.000 1.073 310 M CA 2.782 58.115 55.300 0.056 0.000 1.091 310 M CB -1.386 31.216 32.600 0.004 0.000 1.309 310 M HN 0.126 nan 8.290 nan 0.000 0.407 311 P HA -0.200 nan 4.420 nan 0.000 0.208 311 P C 1.294 178.613 177.300 0.032 0.000 1.195 311 P CA 1.883 65.003 63.100 0.032 0.000 0.927 311 P CB -0.581 31.128 31.700 0.014 0.000 0.778 312 Q N -0.677 119.146 119.800 0.038 0.000 2.197 312 Q HA -0.223 4.126 4.340 0.015 0.000 0.207 312 Q C 2.166 178.186 176.000 0.034 0.000 0.984 312 Q CA 1.748 57.567 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 0.271 nan 8.270 nan 0.000 0.426 313 F N 1.716 121.643 119.950 -0.039 0.000 2.039 313 F HA -0.138 4.398 4.527 0.015 0.000 0.294 313 F C 2.069 177.842 175.800 -0.044 0.000 1.130 313 F CA 1.064 59.036 58.000 -0.048 0.000 1.189 313 F CB -0.551 38.416 39.000 -0.055 0.000 0.983 313 F HN 0.097 nan 8.300 nan 0.000 0.471 314 L N 1.080 122.216 121.223 -0.145 0.000 2.189 314 L HA -0.201 4.148 4.340 0.015 0.000 0.214 314 L C 2.329 179.070 176.870 -0.215 0.000 1.097 314 L CA 2.060 56.773 54.840 -0.213 0.000 0.764 314 L CB -1.106 40.952 42.059 -0.001 0.000 0.900 314 L HN 0.499 nan 8.230 nan 0.000 0.436 315 E N -0.785 119.322 120.200 -0.154 0.000 2.008 315 E HA -0.281 4.077 4.350 0.015 0.000 0.191 315 E C 2.027 178.535 176.600 -0.153 0.000 0.986 315 E CA 1.116 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 0.449 nan 8.360 nan 0.000 0.450 316 E N 0.304 120.399 120.200 -0.175 0.000 2.160 316 E HA -0.152 4.206 4.350 0.015 0.000 0.195 316 E C 1.886 178.354 176.600 -0.220 0.000 0.991 316 E CA 1.029 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 -0.846 118.848 119.914 -0.366 0.000 2.591 317 V HA -0.103 4.026 4.120 0.015 0.000 0.249 317 V C 2.002 177.978 176.094 -0.196 0.000 1.053 317 V CA 1.258 63.346 62.300 -0.355 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 0.336 120.144 119.914 -0.178 0.000 2.453 318 V HA -0.194 3.934 4.120 0.015 0.000 0.247 318 V C 2.404 178.440 176.094 -0.096 0.000 1.048 318 V CA 2.283 64.517 62.300 -0.110 0.000 1.049 318 V CB -0.665 31.102 31.823 -0.093 0.000 0.672 318 V HN 0.592 nan 8.190 nan 0.000 0.457 319 K N 0.213 120.553 120.400 -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 1.397 57.635 56.287 -0.082 0.000 0.932 319 K CB -0.145 32.308 32.500 -0.078 0.000 0.716 319 K HN 0.216 nan 8.250 nan 0.000 0.439 320 R N 0.237 120.686 120.500 -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 1.861 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 1.405 115.909 114.554 -0.085 0.000 2.867 321 T HA -0.061 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 1.196 63.200 62.100 -0.161 0.000 1.136 321 T CB 0.024 68.801 68.868 -0.152 0.000 0.874 321 T HN 0.337 nan 8.240 nan 0.000 0.466 322 K N 1.346 121.670 120.400 -0.127 0.000 2.217 322 K HA 0.205 4.534 4.320 0.015 0.000 0.202 322 K C 2.245 178.787 176.600 -0.097 0.000 1.051 322 K CA 0.802 57.023 56.287 -0.110 0.000 0.952 322 K CB -0.031 32.419 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 0.085 4.414 4.320 0.015 0.000 0.207 323 A C 0.684 178.225 177.584 -0.071 0.000 1.194 323 A CA 0.059 52.055 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 0.999 121.510 120.570 -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 1.571 39.473 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 0.959 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 5.380 125.279 119.914 -0.025 0.000 2.427 326 V HA 0.961 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 63.032 62.300 0.026 0.000 0.893 326 V CB 0.860 32.710 31.823 0.046 0.000 0.982 326 V HN 1.069 nan 8.190 nan 0.000 0.452 327 G N 3.441 112.287 108.800 0.076 0.000 2.539 327 G HA2 0.121 4.090 3.960 0.015 0.000 0.138 327 G HA3 0.121 4.090 3.960 0.015 0.000 0.138 327 G C -1.177 173.815 174.900 0.153 0.000 1.148 327 G CA -0.501 44.592 45.100 -0.012 0.000 1.057 327 G HN 0.510 nan 8.290 nan 0.000 0.511 328 D N 2.403 122.839 120.400 0.061 0.000 2.382 328 D HA 0.210 4.859 4.640 0.015 0.000 0.259 328 D C -0.684 175.660 176.300 0.072 0.000 1.224 328 D CA -1.296 52.753 54.000 0.081 0.000 0.894 328 D CB 1.720 42.538 40.800 0.029 0.000 1.127 328 D HN 0.040 nan 8.370 nan 0.000 0.487 329 P HA -0.156 nan 4.420 nan 0.000 0.220 329 P C 1.386 178.697 177.300 0.018 0.000 1.148 329 P CA 0.250 63.373 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 -1.427 119.805 121.223 0.014 0.000 2.627 330 L HA 0.158 4.507 4.340 0.015 0.000 0.233 330 L C 0.728 177.599 176.870 0.003 0.000 1.144 330 L CA 0.173 55.015 54.840 0.002 0.000 0.892 330 L CB -1.098 40.959 42.059 -0.003 0.000 1.039 330 L HN -0.111 nan 8.230 nan 0.000 0.442 331 L N -1.278 119.951 121.223 0.009 0.000 2.307 331 L HA 0.243 4.592 4.340 0.015 0.000 0.282 331 L C 1.768 178.643 176.870 0.009 0.000 1.051 331 L CA 0.394 55.237 54.840 0.006 0.000 0.804 331 L CB 1.475 43.537 42.059 0.006 0.000 1.197 331 L HN 0.254 nan 8.230 nan 0.000 0.431 332 T N -1.411 113.147 114.554 0.006 0.000 2.951 332 T HA -0.085 4.274 4.350 0.015 0.000 0.268 332 T C 1.076 175.785 174.700 0.015 0.000 1.073 332 T CA 1.046 63.153 62.100 0.011 0.000 1.134 332 T CB -0.128 68.745 68.868 0.008 0.000 0.884 332 T HN 0.646 nan 8.240 nan 0.000 0.479 333 E N 1.397 121.602 120.200 0.009 0.000 2.481 333 E HA 0.022 4.380 4.350 0.015 0.000 0.195 333 E C 0.100 176.704 176.600 0.007 0.000 1.047 333 E CA 0.142 56.546 56.400 0.007 0.000 0.867 333 E CB -0.732 28.967 29.700 -0.001 0.000 0.858 333 E HN 0.372 nan 8.360 nan 0.000 0.513 334 T N 1.981 116.542 114.554 0.011 0.000 2.919 334 T HA 0.203 4.562 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 -0.280 61.830 62.100 0.016 0.000 1.127 334 T CB 1.283 70.168 68.868 0.029 0.000 0.952 334 T HN 0.018 nan 8.240 nan 0.000 0.540 335 R N 1.342 121.850 120.500 0.014 0.000 2.476 335 R HA 0.360 4.709 4.340 0.015 0.000 0.276 335 R C -0.114 176.194 176.300 0.014 0.000 0.941 335 R CA 0.018 56.126 56.100 0.013 0.000 1.088 335 R CB 0.314 30.615 30.300 0.001 0.000 1.216 335 R HN 0.651 nan 8.270 nan 0.000 0.533 336 M N -0.545 119.068 119.600 0.022 0.000 2.333 336 M HA 0.408 4.897 4.480 0.015 0.000 0.286 336 M C -0.966 175.374 176.300 0.065 0.000 1.113 336 M CA -0.503 54.812 55.300 0.025 0.000 0.959 336 M CB 1.973 34.574 32.600 0.002 0.000 1.776 336 M HN 0.092 nan 8.290 nan 0.000 0.492 337 G N 1.865 110.677 108.800 0.020 0.000 2.641 337 G HA2 0.748 4.717 3.960 0.015 0.000 0.239 337 G HA3 0.748 4.717 3.960 0.015 0.000 0.239 337 G C -0.217 174.569 174.900 -0.190 0.000 1.402 337 G CA -0.394 44.698 45.100 -0.013 0.000 1.046 337 G HN 0.847 nan 8.290 nan 0.000 0.565 338 G N -1.413 107.057 108.800 -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 0.179 174.894 174.900 -0.308 0.000 1.175 338 G CA -0.714 43.929 45.100 -0.760 0.000 0.907 338 G HN 0.518 nan 8.290 nan 0.000 0.509 339 L N 0.630 121.754 121.223 -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 -0.937 53.859 54.840 -0.073 0.000 0.824 339 L CB 0.180 42.212 42.059 -0.045 0.000 1.175 339 L HN 0.329 nan 8.230 nan 0.000 0.503 340 I N -0.378 120.096 120.570 -0.160 0.000 2.315 340 I HA -0.111 4.068 4.170 0.015 0.000 0.248 340 I C 1.064 177.100 176.117 -0.135 0.000 1.117 340 I CA 1.223 62.361 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 -1.625 113.941 115.700 -0.223 0.000 2.625 341 S HA 0.310 4.789 4.470 0.015 0.000 0.271 341 S C 0.406 174.504 174.600 -0.837 0.000 1.161 341 S CA -0.701 57.239 58.200 -0.433 0.000 0.820 341 S CB 2.375 65.342 63.200 -0.388 0.000 1.137 341 S HN -0.048 nan 8.310 nan 0.000 0.470 342 K N 1.332 120.948 120.400 -1.307 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 1.868 57.570 56.287 -0.974 0.000 0.929 342 K CB -1.716 30.309 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 1.408 64.393 63.100 -0.192 0.000 0.865 343 P CB 0.000 31.607 31.700 -0.155 0.000 0.789 344 Q N -1.054 118.649 119.800 -0.162 0.000 2.084 344 Q HA -0.160 4.189 4.340 0.015 0.000 0.202 344 Q C 2.116 178.093 176.000 -0.039 0.000 0.978 344 Q CA 1.203 56.967 55.803 -0.065 0.000 0.844 344 Q CB -1.164 27.506 28.738 -0.113 0.000 0.898 344 Q HN 0.202 nan 8.270 nan 0.000 0.426 345 L N 1.726 122.880 121.223 -0.115 0.000 2.012 345 L HA -0.192 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 2.026 56.827 54.840 -0.064 0.000 0.748 345 L CB -0.730 41.264 42.059 -0.109 0.000 0.891 345 L HN 0.093 nan 8.230 nan 0.000 0.431 346 D N -0.455 119.916 120.400 -0.047 0.000 2.144 346 D HA -0.222 4.427 4.640 0.015 0.000 0.199 346 D C 2.085 178.418 176.300 0.054 0.000 0.984 346 D CA 1.329 55.324 54.000 -0.009 0.000 0.834 346 D CB -0.075 40.701 40.800 -0.040 0.000 0.955 346 D HN 0.462 nan 8.370 nan 0.000 0.465 347 K N 0.957 121.407 120.400 0.084 0.000 2.025 347 K HA -0.094 4.235 4.320 0.015 0.000 0.207 347 K C 2.058 178.870 176.600 0.354 0.000 1.049 347 K CA 0.775 57.185 56.287 0.206 0.000 0.933 347 K CB 0.020 32.652 32.500 0.219 0.000 0.714 347 K HN -0.105 nan 8.250 nan 0.000 0.438 348 V N 1.955 121.999 119.914 0.218 0.000 2.343 348 V HA -0.256 3.872 4.120 0.015 0.000 0.247 348 V C 2.347 178.568 176.094 0.211 0.000 1.051 348 V CA 1.588 63.997 62.300 0.182 0.000 1.036 348 V CB -0.363 31.502 31.823 0.070 0.000 0.654 348 V HN 0.323 nan 8.190 nan 0.000 0.451 349 L N 0.276 121.584 121.223 0.142 0.000 2.027 349 L HA -0.064 4.285 4.340 0.015 0.000 0.206 349 L C 2.720 179.665 176.870 0.125 0.000 1.074 349 L CA 1.725 56.631 54.840 0.109 0.000 0.745 349 L CB -1.278 40.818 42.059 0.062 0.000 0.898 349 L HN 0.463 nan 8.230 nan 0.000 0.433 350 G N -0.227 108.645 108.800 0.120 0.000 2.469 350 G HA2 -0.302 3.667 3.960 0.015 0.000 0.220 350 G HA3 -0.302 3.667 3.960 0.015 0.000 0.220 350 G C 1.389 176.317 174.900 0.046 0.000 1.136 350 G CA 0.764 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 0.444 120.414 119.950 0.034 0.000 2.102 351 F HA -0.063 4.473 4.527 0.015 0.000 0.298 351 F C 2.912 178.732 175.800 0.033 0.000 1.105 351 F CA 1.058 59.082 58.000 0.040 0.000 1.239 351 F CB -0.606 38.426 39.000 0.054 0.000 0.991 351 F HN -0.017 nan 8.300 nan 0.000 0.474 352 V N -0.011 120.042 119.914 0.232 0.000 2.332 352 V HA -0.343 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 1.696 64.076 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 -0.716 122.144 122.820 0.066 0.000 1.851 353 A HA -0.339 3.990 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 2.262 54.318 52.037 0.032 0.000 0.622 353 A CB -0.684 18.327 19.000 0.018 0.000 0.831 353 A HN 0.553 nan 8.150 nan 0.000 0.444 354 Q N -0.760 119.043 119.800 0.004 0.000 2.291 354 Q HA -0.078 4.271 4.340 0.015 0.000 0.205 354 Q C 2.119 178.129 176.000 0.017 0.000 0.970 354 Q CA 1.029 56.825 55.803 -0.011 0.000 0.876 354 Q CB -0.278 28.423 28.738 -0.062 0.000 0.935 354 Q HN 0.651 nan 8.270 nan 0.000 0.455 355 A N 2.164 125.012 122.820 0.047 0.000 1.845 355 A HA -0.239 4.090 4.320 0.015 0.000 0.215 355 A C 1.962 179.567 177.584 0.036 0.000 1.195 355 A CA 1.908 53.979 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 -0.075 120.343 120.400 0.031 0.000 2.209 356 K HA -0.089 4.240 4.320 0.015 0.000 0.204 356 K C 1.512 178.121 176.600 0.015 0.000 1.048 356 K CA 1.471 57.771 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 1.045 121.452 120.400 0.013 0.000 2.439 357 K HA -0.044 4.285 4.320 0.015 0.000 0.197 357 K C 0.991 177.596 176.600 0.008 0.000 1.041 357 K CA 0.902 57.193 56.287 0.007 0.000 0.970 357 K CB 0.176 32.676 32.500 0.000 0.000 0.773 357 K HN 0.356 nan 8.250 nan 0.000 0.479 358 E N -0.791 119.417 120.200 0.014 0.000 2.498 358 E HA 0.096 4.454 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 1.111 30.824 29.700 0.022 0.000 1.012 358 E HN 0.408 nan 8.360 nan 0.000 0.482 359 G N 1.427 110.236 108.800 0.016 0.000 2.255 359 G HA2 -0.226 3.743 3.960 0.015 0.000 0.196 359 G HA3 -0.226 3.743 3.960 0.015 0.000 0.196 359 G C 0.540 175.449 174.900 0.015 0.000 0.998 359 G CA -0.262 44.846 45.100 0.015 0.000 0.656 359 G HN 0.425 nan 8.290 nan 0.000 0.490 360 A N 0.518 123.349 122.820 0.019 0.000 2.555 360 A HA 0.538 4.867 4.320 0.015 0.000 0.233 360 A C 0.791 178.384 177.584 0.016 0.000 1.060 360 A CA 0.866 52.916 52.037 0.020 0.000 0.759 360 A CB 0.262 19.280 19.000 0.030 0.000 0.995 360 A HN 0.653 nan 8.150 nan 0.000 0.506 361 R N 2.656 123.164 120.500 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 7.364 127.284 119.914 0.010 0.000 2.421 362 V HA 0.038 4.167 4.120 0.015 0.000 0.271 362 V C 1.699 177.792 176.094 -0.001 0.000 1.031 362 V CA 0.191 62.496 62.300 0.009 0.000 1.032 362 V CB 0.851 32.680 31.823 0.011 0.000 1.009 362 V HN 0.697 nan 8.190 nan 0.000 0.477 363 L N 4.538 125.758 121.223 -0.004 0.000 2.418 363 L HA 0.193 4.542 4.340 0.015 0.000 0.218 363 L C 0.782 177.638 176.870 -0.024 0.000 1.125 363 L CA 0.380 55.210 54.840 -0.015 0.000 0.835 363 L CB -0.036 42.011 42.059 -0.020 0.000 0.953 363 L HN 0.912 nan 8.230 nan 0.000 0.454 364 C N -3.237 116.050 119.300 -0.022 0.000 3.068 364 C HA 0.621 5.090 4.460 0.015 0.000 0.344 364 C C 0.441 175.409 174.990 -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 28.240 27.740 -0.054 0.000 1.396 364 C HN 0.642 nan 8.230 nan 0.000 0.485 365 G N 0.718 109.490 108.800 -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 1.578 46.650 45.100 -0.047 0.000 0.896 365 G HN 3.448 nan 8.290 nan 0.000 0.570 366 G N -1.567 107.229 108.800 -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 46.510 45.100 0.017 0.000 0.659 366 G HN 1.364 nan 8.290 nan 0.000 0.522 367 E N -0.160 120.047 120.200 0.012 0.000 2.392 367 E HA 0.527 4.885 4.350 0.015 0.000 0.269 367 E C -2.759 173.855 176.600 0.024 0.000 0.924 367 E CA -2.352 54.057 56.400 0.016 0.000 0.784 367 E CB 2.081 31.785 29.700 0.006 0.000 1.292 367 E HN 0.077 nan 8.360 nan 0.000 0.447 368 P HA 0.050 nan 4.420 nan 0.000 0.272 368 P C -1.109 176.216 177.300 0.042 0.000 1.248 368 P CA -0.144 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 -0.679 120.583 121.223 0.064 0.000 2.491 369 L HA 0.655 5.004 4.340 0.015 0.000 0.254 369 L C -1.154 175.713 176.870 -0.005 0.000 1.048 369 L CA -0.019 54.835 54.840 0.023 0.000 0.855 369 L CB 2.223 44.303 42.059 0.035 0.000 1.466 369 L HN 0.241 nan 8.230 nan 0.000 0.409 370 T N 2.118 116.619 114.554 -0.087 0.000 3.313 370 T HA 0.410 4.769 4.350 0.015 0.000 0.333 370 T C -2.630 171.949 174.700 -0.201 0.000 0.904 370 T CA -0.583 61.441 62.100 -0.127 0.000 1.079 370 T CB 1.090 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 0.843 178.023 177.300 -0.201 0.000 1.208 371 P CA -0.113 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 -0.124 115.485 115.700 -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 1.087 59.225 58.200 -0.103 0.000 1.025 372 S CB -0.709 62.441 63.200 -0.083 0.000 0.902 372 S HN 0.679 nan 8.310 nan 0.000 0.440 373 D N 2.083 122.422 120.400 -0.101 0.000 2.581 373 D HA -0.009 4.640 4.640 0.015 0.000 0.238 373 D C -1.905 174.351 176.300 -0.072 0.000 1.145 373 D CA -1.215 52.738 54.000 -0.078 0.000 0.866 373 D CB 0.948 41.703 40.800 -0.076 0.000 1.151 373 D HN 0.020 nan 8.370 nan 0.000 0.500 374 P HA -0.156 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 1.668 64.747 63.100 -0.035 0.000 0.822 374 P CB 0.070 31.755 31.700 -0.025 0.000 0.784 375 K N -0.940 119.448 120.400 -0.020 0.000 2.365 375 K HA -0.002 4.327 4.320 0.015 0.000 0.199 375 K C 0.880 177.486 176.600 0.011 0.000 1.045 375 K CA 0.988 57.273 56.287 -0.004 0.000 0.962 375 K CB -0.601 31.898 32.500 -0.002 0.000 0.759 375 K HN 0.081 nan 8.250 nan 0.000 0.469 376 L N 1.077 122.294 121.223 -0.009 0.000 2.653 376 L HA 0.178 4.527 4.340 0.015 0.000 0.231 376 L C 1.305 178.178 176.870 0.006 0.000 1.153 376 L CA 0.674 55.527 54.840 0.021 0.000 0.933 376 L CB 0.159 42.145 42.059 -0.122 0.000 1.175 376 L HN -0.061 nan 8.230 nan 0.000 0.473 377 K N 0.262 120.660 120.400 -0.003 0.000 2.147 377 K HA -0.057 4.272 4.320 0.015 0.000 0.205 377 K C 1.354 177.995 176.600 0.068 0.000 1.049 377 K CA 1.310 57.600 56.287 0.006 0.000 0.936 377 K CB -0.308 32.193 32.500 0.002 0.000 0.722 377 K HN 0.411 nan 8.250 nan 0.000 0.446 378 N N -0.207 118.546 118.700 0.088 0.000 2.230 378 N HA 0.092 4.841 4.740 0.015 0.000 0.202 378 N C 0.421 175.998 175.510 0.112 0.000 1.119 378 N CA -0.231 52.884 53.050 0.109 0.000 0.851 378 N CB 0.633 39.169 38.487 0.082 0.000 0.990 378 N HN 0.117 nan 8.380 nan 0.000 0.497 379 G N 0.068 108.991 108.800 0.204 0.000 2.699 379 G HA2 -0.036 3.933 3.960 0.015 0.000 0.246 379 G HA3 -0.036 3.933 3.960 0.015 0.000 0.246 379 G C -0.674 174.292 174.900 0.110 0.000 1.219 379 G CA -0.167 44.979 45.100 0.077 0.000 0.866 379 G HN 0.240 nan 8.290 nan 0.000 0.572 380 Y N 0.376 120.507 120.300 -0.281 0.000 2.849 380 Y HA 0.390 4.948 4.550 0.015 0.000 0.356 380 Y C -0.261 175.471 175.900 -0.280 0.000 1.236 380 Y CA -1.677 56.295 58.100 -0.214 0.000 1.508 380 Y CB -0.749 37.561 38.460 -0.250 0.000 1.619 380 Y HN 0.161 nan 8.280 nan 0.000 0.513 381 F N 2.209 122.210 119.950 0.085 0.000 2.399 381 F HA 0.704 5.240 4.527 0.015 0.000 0.328 381 F C 0.334 176.145 175.800 0.018 0.000 1.084 381 F CA -1.208 56.810 58.000 0.029 0.000 1.053 381 F CB 1.363 40.361 39.000 -0.003 0.000 1.209 381 F HN 0.143 nan 8.300 nan 0.000 0.502 382 M N 0.121 119.835 119.600 0.189 0.000 2.644 382 M HA 0.675 5.164 4.480 0.015 0.000 0.273 382 M C -1.359 174.973 176.300 0.052 0.000 1.253 382 M CA -0.863 54.493 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 -0.184 176.979 177.300 -0.229 0.000 1.172 384 P CA -0.055 62.825 63.100 -0.367 0.000 0.760 384 P CB -0.038 31.139 31.700 -0.872 0.000 0.773 385 C N 4.623 123.888 119.300 -0.058 0.000 2.376 385 C HA 0.540 5.009 4.460 0.015 0.000 0.335 385 C C -0.265 174.787 174.990 0.104 0.000 1.229 385 C CA -0.291 58.737 59.018 0.018 0.000 1.867 385 C CB 0.592 28.356 27.740 0.039 0.000 2.319 385 C HN 0.407 nan 8.230 nan 0.000 0.515 386 V N 7.839 127.792 119.914 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 62.104 62.300 0.078 0.000 0.826 386 V CB 0.954 32.809 31.823 0.053 0.000 1.009 386 V HN 0.829 nan 8.190 nan 0.000 0.431 387 L N 3.407 124.653 121.223 0.038 0.000 2.439 387 L HA 0.637 4.986 4.340 0.015 0.000 0.261 387 L C -0.184 176.694 176.870 0.012 0.000 1.153 387 L CA 0.053 54.907 54.840 0.024 0.000 0.808 387 L CB 1.208 43.282 42.059 0.026 0.000 1.126 387 L HN 0.665 nan 8.230 nan 0.000 0.460 388 D N -0.123 120.282 120.400 0.008 0.000 2.661 388 D HA 0.262 4.911 4.640 0.015 0.000 0.228 388 D C -0.797 175.504 176.300 0.002 0.000 1.210 388 D CA -0.464 53.538 54.000 0.004 0.000 0.826 388 D CB 1.177 41.979 40.800 0.004 0.000 1.542 388 D HN 0.455 nan 8.370 nan 0.000 0.447 389 N N 0.444 119.143 118.700 -0.001 0.000 2.771 389 N HA -0.142 4.607 4.740 0.015 0.000 0.249 389 N C -1.438 174.072 175.510 0.000 0.000 1.069 389 N CA 0.633 53.683 53.050 0.001 0.000 0.688 389 N CB -1.247 37.243 38.487 0.005 0.000 0.928 389 N HN 0.444 nan 8.380 nan 0.000 0.551 390 C N 0.273 119.566 119.300 -0.013 0.000 2.365 390 C HA 0.677 5.146 4.460 0.015 0.000 0.349 390 C C 0.781 175.766 174.990 -0.009 0.000 1.191 390 C CA -0.759 58.251 59.018 -0.014 0.000 2.114 390 C CB 1.534 29.251 27.740 -0.038 0.000 2.367 390 C HN 0.323 nan 8.230 nan 0.000 0.530 391 R N 1.109 121.614 120.500 0.009 0.000 2.740 391 R HA 0.266 4.615 4.340 0.015 0.000 0.282 391 R C -0.259 176.065 176.300 0.039 0.000 0.969 391 R CA -0.678 55.438 56.100 0.026 0.000 0.918 391 R CB 1.297 31.616 30.300 0.032 0.000 1.175 391 R HN 0.612 nan 8.270 nan 0.000 0.464 392 D N 1.197 121.635 120.400 0.063 0.000 2.315 392 D HA -0.172 4.477 4.640 0.015 0.000 0.211 392 D C 1.060 177.410 176.300 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 -1.003 119.437 120.400 0.066 0.000 2.360 393 D HA -0.062 4.586 4.640 0.015 0.000 0.210 393 D C 0.708 177.044 176.300 0.060 0.000 1.047 393 D CA -0.116 53.921 54.000 0.062 0.000 0.854 393 D CB -0.095 40.735 40.800 0.050 0.000 0.936 393 D HN 0.150 nan 8.370 nan 0.000 0.514 394 M N 1.174 120.809 119.600 0.058 0.000 2.245 394 M HA 0.040 4.529 4.480 0.015 0.000 0.344 394 M C 1.307 177.657 176.300 0.083 0.000 1.170 394 M CA 0.096 55.432 55.300 0.059 0.000 1.135 394 M CB 0.993 33.625 32.600 0.052 0.000 1.574 394 M HN -0.219 nan 8.290 nan 0.000 0.452 395 T N 1.561 116.165 114.554 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 0.719 120.127 119.300 0.179 0.000 2.432 396 C HA 0.122 4.591 4.460 0.015 0.000 0.280 396 C C 2.497 177.566 174.990 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 26.432 27.740 0.171 0.000 1.924 396 C HN 0.323 nan 8.230 nan 0.000 0.509 397 V N 0.973 120.949 119.914 0.104 0.000 2.788 397 V HA -0.036 4.093 4.120 0.015 0.000 0.251 397 V C 2.664 178.831 176.094 0.122 0.000 1.068 397 V CA 1.737 64.084 62.300 0.079 0.000 1.090 397 V CB -0.563 31.291 31.823 0.051 0.000 0.710 397 V HN 0.589 nan 8.190 nan 0.000 0.467 398 K N -0.323 120.168 120.400 0.151 0.000 2.202 398 K HA 0.095 4.424 4.320 0.015 0.000 0.201 398 K C 0.553 177.306 176.600 0.255 0.000 1.051 398 K CA 0.310 56.711 56.287 0.191 0.000 0.977 398 K CB 0.217 32.813 32.500 0.161 0.000 0.792 398 K HN 0.378 nan 8.250 nan 0.000 0.469 399 E N 1.757 122.110 120.200 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 56.440 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 3.054 123.338 120.200 0.140 0.000 2.180 400 E HA 0.033 4.392 4.350 0.015 0.000 0.283 400 E C 0.814 177.350 176.600 -0.107 0.000 1.061 400 E CA -0.420 55.965 56.400 -0.024 0.000 0.861 400 E CB 0.391 30.053 29.700 -0.063 0.000 1.056 400 E HN 0.343 nan 8.360 nan 0.000 0.407 401 I N 4.225 124.641 120.570 -0.257 0.000 2.206 401 I HA -0.110 4.069 4.170 0.015 0.000 0.239 401 I C 1.082 177.092 176.117 -0.179 0.000 1.078 401 I CA 0.904 61.822 61.300 -0.636 0.000 1.367 401 I CB -0.758 36.936 38.000 -0.509 0.000 1.078 401 I HN 0.755 nan 8.210 nan 0.000 0.413 402 F N 0.966 120.793 119.950 -0.206 0.000 2.926 402 F HA -0.020 4.516 4.527 0.014 0.000 0.311 402 F C 0.257 176.053 175.800 -0.008 0.000 0.873 402 F CA 0.515 58.476 58.000 -0.065 0.000 1.351 402 F CB -1.264 37.742 39.000 0.010 0.000 1.431 402 F HN 0.212 nan 8.300 nan 0.000 0.561 403 G N 0.151 108.894 108.800 -0.096 0.000 2.695 403 G HA2 0.656 4.625 3.960 0.015 0.000 0.290 403 G HA3 0.656 4.625 3.960 0.015 0.000 0.290 403 G C -3.038 171.850 174.900 -0.020 0.000 1.410 403 G CA -0.904 44.164 45.100 -0.053 0.000 0.844 403 G HN -0.084 nan 8.290 nan 0.000 0.478 404 P HA 0.240 nan 4.420 nan 0.000 0.241 404 P C -0.663 176.805 177.300 0.282 0.000 1.760 404 P CA 0.046 63.297 63.100 0.251 0.000 1.081 404 P CB 0.260 32.076 31.700 0.193 0.000 1.975 405 V N 4.418 124.427 119.914 0.158 0.000 2.447 405 V HA 0.332 4.461 4.120 0.015 0.000 0.292 405 V C 0.176 176.297 176.094 0.045 0.000 1.021 405 V CA -0.622 61.749 62.300 0.118 0.000 0.850 405 V CB 2.079 33.932 31.823 0.049 0.000 1.005 405 V HN 0.367 nan 8.190 nan 0.000 0.426 406 M N 3.968 123.614 119.600 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 1.191 33.775 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 -0.575 173.971 174.600 -0.090 0.000 1.079 407 S CA -0.750 57.421 58.200 -0.048 0.000 1.104 407 S CB 0.851 64.018 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 -0.570 61.699 62.300 -0.052 0.000 0.952 408 V CB 0.948 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 6.900 128.006 121.223 -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 -1.368 53.359 54.840 -0.189 0.000 0.827 409 L CB 2.502 44.324 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 -1.316 176.099 177.300 0.192 0.000 1.252 410 P CA -0.287 62.839 63.100 0.043 0.000 0.811 410 P CB 1.449 33.151 31.700 0.003 0.000 1.035 411 F N -0.937 119.030 119.950 0.029 0.000 2.693 411 F HA 0.490 5.026 4.527 0.015 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 0.147 120.671 120.400 0.207 0.000 2.856 412 D HA 0.097 4.745 4.640 0.015 0.000 0.283 412 D C 0.376 176.798 176.300 0.204 0.000 1.051 412 D CA 1.502 55.539 54.000 0.063 0.000 0.965 412 D CB 0.801 41.643 40.800 0.071 0.000 1.201 412 D HN 0.684 nan 8.370 nan 0.000 0.474 413 T N -1.719 113.033 114.554 0.330 0.000 2.924 413 T HA 0.333 4.692 4.350 0.015 0.000 0.291 413 T C 0.849 175.739 174.700 0.317 0.000 1.045 413 T CA -0.737 61.544 62.100 0.301 0.000 1.015 413 T CB 3.089 72.060 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 4.120 4.350 0.015 0.000 0.195 414 E C 1.787 178.434 176.600 0.079 0.000 1.000 414 E CA 1.560 58.113 56.400 0.254 0.000 0.803 414 E CB -0.063 29.781 29.700 0.240 0.000 0.750 414 E HN 0.866 nan 8.360 nan 0.000 0.448 415 E N 0.312 120.555 120.200 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 -0.030 120.183 120.200 0.023 0.000 2.012 416 E HA -0.208 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 2.252 58.659 56.400 0.011 0.000 0.816 416 E CB -0.030 29.724 29.700 0.090 0.000 0.762 416 E HN 0.265 nan 8.360 nan 0.000 0.451 417 V N 0.179 119.954 119.914 -0.233 0.000 2.392 417 V HA -0.265 3.863 4.120 0.015 0.000 0.249 417 V C 2.612 178.448 176.094 -0.431 0.000 1.059 417 V CA 1.590 63.583 62.300 -0.511 0.000 1.051 417 V CB -0.993 30.219 31.823 -1.018 0.000 0.658 417 V HN 0.229 nan 8.190 nan 0.000 0.455 418 L N 0.867 121.933 121.223 -0.261 0.000 1.989 418 L HA -0.268 4.081 4.340 0.015 0.000 0.211 418 L C 3.016 179.802 176.870 -0.140 0.000 1.071 418 L CA 2.489 57.222 54.840 -0.177 0.000 0.749 418 L CB -0.807 41.200 42.059 -0.088 0.000 0.890 418 L HN 0.553 nan 8.230 nan 0.000 0.431 419 Q N 0.261 120.002 119.800 -0.098 0.000 2.124 419 Q HA -0.209 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 1.571 57.341 55.803 -0.055 0.000 0.850 419 Q CB -0.288 28.436 28.738 -0.024 0.000 0.901 419 Q HN 0.350 nan 8.270 nan 0.000 0.429 420 R N 0.268 120.702 120.500 -0.111 0.000 2.075 420 R HA 0.140 4.489 4.340 0.015 0.000 0.226 420 R C 2.474 178.690 176.300 -0.141 0.000 1.114 420 R CA 1.003 57.053 56.100 -0.084 0.000 0.972 420 R CB -0.490 29.774 30.300 -0.060 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 4.174 4.320 0.015 0.000 0.216 421 A C 1.664 179.197 177.584 -0.085 0.000 1.190 421 A CA 1.454 53.306 52.037 -0.307 0.000 0.617 421 A CB -0.431 18.335 19.000 -0.388 0.000 0.827 421 A HN 0.234 nan 8.150 nan 0.000 0.443 422 N N 0.203 118.862 118.700 -0.068 0.000 2.515 422 N HA -0.077 4.672 4.740 0.015 0.000 0.185 422 N C 0.378 175.905 175.510 0.028 0.000 1.109 422 N CA 0.307 53.355 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 0.793 119.508 118.700 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 -0.964 113.645 114.554 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 -0.522 61.653 62.100 0.126 0.000 1.028 424 T CB 1.580 70.581 68.868 0.222 0.000 1.317 424 T HN 0.078 nan 8.240 nan 0.000 0.495 425 T N 1.543 116.103 114.554 0.009 0.000 3.067 425 T HA 0.300 4.659 4.350 0.015 0.000 0.261 425 T C 0.335 174.981 174.700 -0.092 0.000 1.110 425 T CA 0.418 62.463 62.100 -0.092 0.000 1.113 425 T CB -0.498 68.242 68.868 -0.213 0.000 0.917 425 T HN 0.386 nan 8.240 nan 0.000 0.499 426 F N 0.589 120.577 119.950 0.062 0.000 2.368 426 F HA 0.566 5.101 4.527 0.014 0.000 0.308 426 F C 1.548 177.394 175.800 0.076 0.000 1.198 426 F CA -0.219 57.821 58.000 0.066 0.000 1.130 426 F CB 0.897 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 0.839 109.833 108.800 0.324 0.000 4.713 427 G HA2 0.192 4.161 3.960 0.015 0.000 0.227 427 G HA3 0.192 4.161 3.960 0.015 0.000 0.227 427 G C -0.211 174.763 174.900 0.124 0.000 2.776 427 G CA -0.294 44.924 45.100 0.197 0.000 0.692 427 G HN 0.547 nan 8.290 nan 0.000 0.221 428 L N 0.571 121.862 121.223 0.113 0.000 2.116 428 L HA 0.842 5.191 4.340 0.015 0.000 0.200 428 L C 1.284 178.176 176.870 0.036 0.000 1.084 428 L CA 2.171 57.062 54.840 0.085 0.000 0.766 428 L CB -0.031 42.099 42.059 0.120 0.000 0.930 428 L HN 0.482 nan 8.230 nan 0.000 0.453 429 A N -2.022 120.825 122.820 0.044 0.000 2.504 429 A HA 0.852 5.181 4.320 0.015 0.000 0.285 429 A C -0.942 176.653 177.584 0.017 0.000 1.261 429 A CA 0.203 52.232 52.037 -0.014 0.000 0.741 429 A CB 1.177 20.206 19.000 0.049 0.000 1.327 429 A HN 0.398 nan 8.150 nan 0.000 0.441 430 S N -2.042 113.656 115.700 -0.004 0.000 2.633 430 S HA 0.719 5.198 4.470 0.015 0.000 0.271 430 S C -0.505 174.159 174.600 0.108 0.000 1.112 430 S CA -0.109 58.145 58.200 0.089 0.000 0.828 430 S CB 0.647 63.847 63.200 -0.001 0.000 1.086 430 S HN 2.411 nan 8.310 nan 0.000 0.461 431 G N -0.777 108.165 108.800 0.237 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 -0.481 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 0.039 119.998 119.914 0.074 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 1.517 33.402 31.823 0.103 0.000 1.026 432 V HN 0.613 nan 8.190 nan 0.000 0.429 433 F N 5.119 125.176 119.950 0.178 0.000 2.375 433 F HA 0.822 5.359 4.527 0.017 0.000 0.361 433 F C 0.432 176.349 175.800 0.195 0.000 1.117 433 F CA 0.014 58.098 58.000 0.140 0.000 1.037 433 F CB 2.002 41.061 39.000 0.097 0.000 1.192 433 F HN 0.649 nan 8.300 nan 0.000 0.452 434 T N 1.942 116.626 114.554 0.216 0.000 2.711 434 T HA 0.419 4.777 4.350 0.015 0.000 0.302 434 T C 0.267 174.992 174.700 0.043 0.000 1.373 434 T CA -0.521 61.663 62.100 0.140 0.000 1.000 434 T CB 1.651 70.503 68.868 -0.025 0.000 1.483 434 T HN 0.506 nan 8.240 nan 0.000 0.499 435 R N 0.379 120.883 120.500 0.006 0.000 2.469 435 R HA 0.233 4.582 4.340 0.015 0.000 0.250 435 R C -0.512 175.762 176.300 -0.044 0.000 0.909 435 R CA -0.020 56.076 56.100 -0.007 0.000 1.050 435 R CB 0.079 30.393 30.300 0.024 0.000 1.256 435 R HN 0.662 nan 8.270 nan 0.000 0.550 436 D N 1.346 121.698 120.400 -0.079 0.000 2.336 436 D HA 0.056 4.705 4.640 0.015 0.000 0.249 436 D C 1.481 177.716 176.300 -0.108 0.000 1.213 436 D CA -0.077 53.872 54.000 -0.086 0.000 0.870 436 D CB 0.630 41.370 40.800 -0.100 0.000 1.076 436 D HN -0.011 nan 8.370 nan 0.000 0.483 437 I N 3.002 123.531 120.570 -0.069 0.000 2.181 437 I HA -0.384 3.795 4.170 0.015 0.000 0.247 437 I C 1.517 177.611 176.117 -0.038 0.000 1.081 437 I CA 1.501 62.769 61.300 -0.052 0.000 1.340 437 I CB 0.100 38.115 38.000 0.025 0.000 1.036 437 I HN 0.399 nan 8.210 nan 0.000 0.417 438 S N 0.242 115.925 115.700 -0.029 0.000 2.355 438 S HA -0.203 4.276 4.470 0.015 0.000 0.222 438 S C 1.943 176.498 174.600 -0.074 0.000 1.031 438 S CA 1.491 59.681 58.200 -0.017 0.000 0.993 438 S CB -0.362 62.826 63.200 -0.021 0.000 0.859 438 S HN 0.483 nan 8.310 nan 0.000 0.453 439 R N 1.598 122.012 120.500 -0.145 0.000 2.081 439 R HA -0.075 4.274 4.340 0.015 0.000 0.235 439 R C 2.251 178.415 176.300 -0.227 0.000 1.131 439 R CA 1.345 57.310 56.100 -0.225 0.000 0.960 439 R CB -0.596 29.475 30.300 -0.381 0.000 0.856 439 R HN 0.332 nan 8.270 nan 0.000 0.436 440 A N 1.208 123.875 122.820 -0.255 0.000 1.837 440 A HA -0.249 4.080 4.320 0.015 0.000 0.216 440 A C 2.001 179.425 177.584 -0.267 0.000 1.210 440 A CA 1.877 53.731 52.037 -0.305 0.000 0.632 440 A CB -1.308 17.424 19.000 -0.446 0.000 0.843 440 A HN 0.560 nan 8.150 nan 0.000 0.448 441 H N -0.749 118.279 119.070 -0.071 0.000 2.352 441 H HA -0.150 4.415 4.556 0.016 0.000 0.299 441 H C 2.233 177.527 175.328 -0.056 0.000 1.097 441 H CA 1.840 57.852 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 0.856 121.379 120.500 0.038 0.000 2.080 442 R HA -0.119 4.230 4.340 0.015 0.000 0.236 442 R C 2.303 178.592 176.300 -0.018 0.000 1.137 442 R CA 1.749 57.851 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 0.071 nan 8.270 nan 0.000 0.431 443 V N 1.152 121.038 119.914 -0.047 0.000 2.407 443 V HA -0.220 3.909 4.120 0.015 0.000 0.248 443 V C 2.523 178.600 176.094 -0.029 0.000 1.055 443 V CA 1.806 64.087 62.300 -0.031 0.000 1.049 443 V CB -0.777 31.036 31.823 -0.016 0.000 0.662 443 V HN 0.572 nan 8.190 nan 0.000 0.455 444 A N 0.341 123.140 122.820 -0.035 0.000 1.865 444 A HA -0.177 4.152 4.320 0.015 0.000 0.217 444 A C 2.468 180.037 177.584 -0.025 0.000 1.191 444 A CA 2.297 54.311 52.037 -0.037 0.000 0.623 444 A CB -0.990 17.999 19.000 -0.018 0.000 0.826 444 A HN 0.586 nan 8.150 nan 0.000 0.444 445 A N -0.083 122.738 122.820 0.002 0.000 1.978 445 A HA -0.204 4.125 4.320 0.015 0.000 0.220 445 A C 1.869 179.456 177.584 0.006 0.000 1.170 445 A CA 1.817 53.859 52.037 0.008 0.000 0.636 445 A CB -0.575 18.435 19.000 0.017 0.000 0.810 445 A HN 0.599 nan 8.150 nan 0.000 0.448 446 N N -0.708 117.990 118.700 -0.003 0.000 2.415 446 N HA 0.061 4.810 4.740 0.015 0.000 0.176 446 N C -0.120 175.384 175.510 -0.009 0.000 1.042 446 N CA 0.151 53.200 53.050 -0.002 0.000 0.902 446 N CB -0.217 38.265 38.487 -0.009 0.000 0.986 446 N HN 0.270 nan 8.380 nan 0.000 0.447 447 L N 1.957 123.163 121.223 -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 0.481 55.296 54.840 -0.043 0.000 0.846 447 L CB 0.246 42.265 42.059 -0.067 0.000 1.111 447 L HN 0.027 nan 8.230 nan 0.000 0.475 448 E N 3.239 123.440 120.200 0.002 0.000 2.360 448 E HA 0.505 4.864 4.350 0.015 0.000 0.253 448 E C -0.539 176.060 176.600 -0.002 0.000 1.189 448 E CA -0.263 56.187 56.400 0.083 0.000 1.252 448 E CB 0.509 30.293 29.700 0.140 0.000 1.408 448 E HN 0.628 nan 8.360 nan 0.000 0.464 449 A N -0.216 122.417 122.820 -0.311 0.000 2.532 449 A HA 0.671 4.999 4.320 0.015 0.000 0.290 449 A C 0.975 177.915 177.584 -1.073 0.000 1.143 449 A CA -0.468 51.291 52.037 -0.462 0.000 0.728 449 A CB 1.249 20.122 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 0.333 175.034 174.900 -0.332 0.000 1.138 450 G CA 1.360 46.086 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 -1.551 172.874 174.700 -0.458 0.000 1.064 451 T CA -0.476 61.409 62.100 -0.358 0.000 1.008 451 T CB 2.181 70.839 68.868 -0.351 0.000 1.078 451 T HN -0.002 nan 8.240 nan 0.000 0.459 452 C N 4.329 123.327 119.300 -0.503 0.000 2.432 452 C HA 0.686 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 -0.845 57.920 59.018 -0.421 0.000 1.335 452 C CB -0.929 26.673 27.740 -0.231 0.000 1.964 452 C HN 0.896 nan 8.230 nan 0.000 0.444 453 Y N 5.050 125.196 120.300 -0.258 0.000 2.299 453 Y HA 0.614 5.174 4.550 0.016 0.000 0.326 453 Y C 0.683 176.431 175.900 -0.253 0.000 1.164 453 Y CA -0.580 57.354 58.100 -0.278 0.000 1.234 453 Y CB 0.710 38.931 38.460 -0.399 0.000 1.219 453 Y HN 0.480 nan 8.280 nan 0.000 0.497 454 I N 3.935 124.444 120.570 -0.101 0.000 2.390 454 I HA 0.188 4.367 4.170 0.015 0.000 0.283 454 I C -0.595 175.330 176.117 -0.318 0.000 1.016 454 I CA -0.581 60.591 61.300 -0.213 0.000 1.151 454 I CB 0.801 38.700 38.000 -0.170 0.000 1.293 454 I HN 0.746 nan 8.210 nan 0.000 0.458 455 N N 2.656 120.944 118.700 -0.688 0.000 2.754 455 N HA -0.169 4.580 4.740 0.015 0.000 0.248 455 N C -0.217 175.004 175.510 -0.483 0.000 1.093 455 N CA 1.332 53.869 53.050 -0.856 0.000 0.699 455 N CB -0.788 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 -2.002 112.252 114.554 -0.499 0.000 2.660 456 T HA 0.567 4.926 4.350 0.015 0.000 0.299 456 T C -2.458 172.252 174.700 0.017 0.000 1.763 456 T CA -0.495 61.597 62.100 -0.012 0.000 0.959 456 T CB 0.797 69.641 68.868 -0.040 0.000 1.935 456 T HN 0.151 nan 8.240 nan 0.000 0.470 457 Y N -0.285 119.840 120.300 -0.293 0.000 2.661 457 Y HA 0.429 4.989 4.550 0.017 0.000 0.339 457 Y C 0.442 175.878 175.900 -0.774 0.000 1.186 457 Y CA 0.268 57.943 58.100 -0.709 0.000 1.137 457 Y CB 0.982 39.294 38.460 -0.247 0.000 1.354 457 Y HN 0.927 nan 8.280 nan 0.000 0.469 458 S N 1.461 116.559 115.700 -1.003 0.000 3.084 458 S HA -0.169 4.309 4.470 0.015 0.000 0.277 458 S C -0.283 174.112 174.600 -0.342 0.000 1.295 458 S CA 0.934 58.889 58.200 -0.409 0.000 1.170 458 S CB -1.294 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 1.955 122.273 120.570 -0.419 0.000 2.496 459 I HA 0.332 4.511 4.170 0.015 0.000 0.285 459 I C 0.681 176.792 176.117 -0.010 0.000 1.080 459 I CA 0.460 61.679 61.300 -0.135 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 7.022 122.691 115.700 -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 -0.090 0.000 1.711 460 S CA -0.803 57.350 58.200 -0.078 0.000 1.274 460 S CB 0.707 63.853 63.200 -0.090 0.000 1.257 460 S HN 0.510 nan 8.310 nan 0.000 0.404 461 P HA 0.110 nan 4.420 nan 0.000 0.269 461 P C 1.249 178.377 177.300 -0.287 0.000 1.209 461 P CA -0.373 62.628 63.100 -0.165 0.000 0.776 461 P CB 0.855 32.474 31.700 -0.135 0.000 0.876 462 V N -0.328 119.355 119.914 -0.385 0.000 2.871 462 V HA -0.129 4.000 4.120 0.015 0.000 0.256 462 V C 1.805 177.411 176.094 -0.814 0.000 1.082 462 V CA 1.237 63.158 62.300 -0.633 0.000 1.105 462 V CB -1.410 29.980 31.823 -0.722 0.000 0.713 462 V HN 0.326 nan 8.190 nan 0.000 0.473 463 E N 1.799 121.640 120.200 -0.599 0.000 2.265 463 E HA -0.001 4.358 4.350 0.015 0.000 0.196 463 E C 0.875 177.335 176.600 -0.233 0.000 0.996 463 E CA 1.208 57.351 56.400 -0.429 0.000 0.832 463 E CB -0.392 29.189 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 -3.245 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 0.384 nan 4.420 nan 0.000 0.272 465 P C -1.283 176.078 177.300 0.102 0.000 1.223 465 P CA 0.127 63.255 63.100 0.046 0.000 0.784 465 P CB 0.211 31.955 31.700 0.073 0.000 0.923 466 F N 1.393 121.293 119.950 -0.084 0.000 2.607 466 F HA 0.717 5.252 4.527 0.012 0.000 0.322 466 F C -0.562 175.213 175.800 -0.042 0.000 1.176 466 F CA -0.154 57.797 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 2.288 110.734 108.800 -0.590 0.000 2.488 467 G HA2 0.535 4.504 3.960 0.015 0.000 0.301 467 G HA3 0.535 4.504 3.960 0.015 0.000 0.301 467 G C -1.260 173.478 174.900 -0.270 0.000 1.339 467 G CA -0.219 44.507 45.100 -0.624 0.000 0.803 467 G HN 1.053 nan 8.290 nan 0.000 0.482 468 G N -1.841 106.875 108.800 -0.139 0.000 2.552 468 G HA2 0.622 4.591 3.960 0.015 0.000 0.318 468 G HA3 0.622 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 -0.514 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 -0.590 119.725 120.300 0.025 0.000 2.602 469 Y HA 0.456 5.013 4.550 0.012 0.000 0.342 469 Y C 1.131 177.066 175.900 0.057 0.000 1.029 469 Y CA -1.030 57.096 58.100 0.044 0.000 1.080 469 Y CB 1.988 40.471 38.460 0.038 0.000 1.284 469 Y HN 0.859 nan 8.280 nan 0.000 0.485 470 K N -0.157 120.339 120.400 0.161 0.000 1.931 470 K HA -0.307 4.021 4.320 0.015 0.000 0.126 470 K C 0.522 177.170 176.600 0.081 0.000 1.372 470 K CA 1.984 58.331 56.287 0.101 0.000 0.483 470 K CB -1.009 31.558 32.500 0.112 0.000 0.562 470 K HN 0.689 nan 8.250 nan 0.000 0.923 471 M N 1.081 120.704 119.600 0.039 0.000 2.581 471 M HA 0.039 4.528 4.480 0.015 0.000 0.224 471 M C 0.681 177.003 176.300 0.037 0.000 1.171 471 M CA 0.485 55.779 55.300 -0.010 0.000 0.993 471 M CB 0.229 32.760 32.600 -0.114 0.000 1.685 471 M HN 0.289 nan 8.290 nan 0.000 0.479 472 S N 0.366 116.136 115.700 0.116 0.000 2.575 472 S HA 0.375 4.854 4.470 0.015 0.000 0.215 472 S C 0.886 175.493 174.600 0.011 0.000 0.966 472 S CA 0.401 58.693 58.200 0.154 0.000 0.911 472 S CB 0.264 63.588 63.200 0.206 0.000 0.780 472 S HN 0.790 nan 8.310 nan 0.000 0.514 473 G N 1.518 110.281 108.800 -0.061 0.000 2.422 473 G HA2 0.139 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 -1.203 173.591 174.900 -0.177 0.000 1.270 473 G CA -0.572 44.367 45.100 -0.267 0.000 0.992 473 G HN 0.537 nan 8.290 nan 0.000 0.499 474 F N -2.064 117.850 119.950 -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 -0.527 57.422 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 1.356 110.173 108.800 0.027 0.000 2.612 475 G HA2 0.345 4.314 3.960 0.015 0.000 0.686 475 G HA3 0.345 4.314 3.960 0.015 0.000 0.686 475 G C -1.760 172.812 174.900 -0.547 0.000 1.274 475 G CA -1.201 43.541 45.100 -0.597 0.000 0.849 475 G HN 0.834 nan 8.290 nan 0.000 0.595 476 R N -0.098 119.949 120.500 -0.755 0.000 2.808 476 R HA 0.784 5.133 4.340 0.015 0.000 0.272 476 R C -0.682 175.530 176.300 -0.147 0.000 0.995 476 R CA -0.908 55.017 56.100 -0.292 0.000 0.917 476 R CB 2.040 32.314 30.300 -0.044 0.000 1.217 476 R HN 0.717 nan 8.270 nan 0.000 0.471 477 E N 0.942 121.099 120.200 -0.072 0.000 2.312 477 E HA 0.412 4.771 4.350 0.015 0.000 0.267 477 E C -0.926 175.660 176.600 -0.023 0.000 0.894 477 E CA -0.434 55.967 56.400 0.002 0.000 0.773 477 E CB 1.025 30.765 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 -0.168 4.581 4.740 0.015 0.000 0.369 478 N C -0.014 175.532 175.510 0.060 0.000 1.223 478 N CA 1.486 54.487 53.050 -0.081 0.000 2.614 478 N CB -0.742 37.483 38.487 -0.436 0.000 0.550 478 N HN 1.026 nan 8.380 nan 0.000 0.736 479 G N -0.316 108.453 108.800 -0.052 0.000 2.860 479 G HA2 -0.266 3.703 3.960 0.015 0.000 0.553 479 G HA3 -0.266 3.703 3.960 0.015 0.000 0.553 479 G C 0.661 175.719 174.900 0.263 0.000 1.439 479 G CA 0.625 45.756 45.100 0.051 0.000 0.879 479 G HN 0.691 nan 8.290 nan 0.000 0.545 480 Q N 0.139 120.075 119.800 0.227 0.000 2.123 480 Q HA 0.076 4.425 4.340 0.015 0.000 0.199 480 Q C 3.188 179.326 176.000 0.230 0.000 0.966 480 Q CA 1.861 57.802 55.803 0.229 0.000 0.845 480 Q CB -0.235 28.588 28.738 0.143 0.000 0.907 480 Q HN 1.199 nan 8.270 nan 0.000 0.439 481 A N 1.389 124.329 122.820 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 2.320 54.488 52.037 0.218 0.000 0.647 481 A CB -1.377 17.758 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 1.934 176.906 174.700 0.453 0.000 1.034 482 T CA 2.467 64.871 62.100 0.506 0.000 1.149 482 T CB -1.239 67.841 68.868 0.353 0.000 0.860 482 T HN 1.010 nan 8.240 nan 0.000 0.449 483 V N 1.413 121.509 119.914 0.303 0.000 2.527 483 V HA -0.234 3.895 4.120 0.015 0.000 0.255 483 V C 1.667 177.852 176.094 0.151 0.000 1.081 483 V CA 2.206 64.637 62.300 0.219 0.000 1.092 483 V CB -0.752 31.174 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 1.175 55.063 54.000 -0.186 0.000 0.899 484 D CB -0.175 40.419 40.800 -0.345 0.000 0.902 484 D HN 0.731 nan 8.370 nan 0.000 0.530 485 Y N -1.610 118.735 120.300 0.076 0.000 2.462 485 Y HA 0.103 4.665 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 0.160 58.218 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 -0.573 119.815 120.300 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 -0.619 57.541 58.100 0.100 0.000 1.186 486 Y CB 0.563 39.057 38.460 0.057 0.000 1.216 486 Y HN -0.076 nan 8.280 nan 0.000 0.540 487 S N -0.058 115.724 115.700 0.136 0.000 2.596 487 S HA 0.732 5.211 4.470 0.015 0.000 0.270 487 S C -1.304 173.340 174.600 0.073 0.000 1.155 487 S CA -0.956 57.307 58.200 0.104 0.000 0.827 487 S CB 2.453 65.710 63.200 0.095 0.000 1.130 487 S HN 0.219 nan 8.310 nan 0.000 0.467 488 Q N 0.778 120.620 119.800 0.070 0.000 2.456 488 Q HA 0.720 5.069 4.340 0.015 0.000 0.283 488 Q C -1.590 174.434 176.000 0.040 0.000 1.084 488 Q CA -1.212 54.626 55.803 0.059 0.000 0.801 488 Q CB 1.704 30.503 28.738 0.101 0.000 1.434 488 Q HN 0.692 nan 8.270 nan 0.000 0.419 489 L N 1.594 122.829 121.223 0.020 0.000 2.287 489 L HA 0.539 4.888 4.340 0.015 0.000 0.287 489 L C -0.347 176.525 176.870 0.004 0.000 1.022 489 L CA -0.744 54.105 54.840 0.015 0.000 0.814 489 L CB 1.538 43.598 42.059 0.002 0.000 1.217 489 L HN 0.616 nan 8.230 nan 0.000 0.420 490 K N 2.237 122.640 120.400 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 1.322 33.816 32.500 -0.010 0.000 1.078 490 K HN 0.465 nan 8.250 nan 0.000 0.459 491 T N 3.198 117.694 114.554 -0.096 0.000 2.767 491 T HA 0.268 4.627 4.350 0.015 0.000 0.288 491 T C -0.793 173.760 174.700 -0.246 0.000 0.963 491 T CA -0.539 61.470 62.100 -0.152 0.000 1.019 491 T CB 1.041 69.839 68.868 -0.117 0.000 0.923 491 T HN 0.291 nan 8.240 nan 0.000 0.468 492 V N 5.831 125.478 119.914 -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 -0.606 0.000 1.014 492 V CA -0.759 61.180 62.300 -0.601 0.000 0.831 492 V CB 1.066 32.257 31.823 -1.054 0.000 1.000 492 V HN 0.799 nan 8.190 nan 0.000 0.433 493 I N 5.233 125.569 120.570 -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 -0.343 0.000 1.188 493 I CB 1.965 39.835 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 0.379 4.507 4.120 0.015 0.000 0.287 494 V C -0.354 175.566 176.094 -0.290 0.000 1.015 494 V CA -0.435 61.609 62.300 -0.427 0.000 0.834 494 V CB 1.628 33.099 31.823 -0.587 0.000 1.001 494 V HN 0.778 nan 8.190 nan 0.000 0.428 495 E N 6.198 126.314 120.200 -0.140 0.000 2.299 495 E HA 0.237 4.596 4.350 0.015 0.000 0.272 495 E C 0.598 177.197 176.600 -0.002 0.000 1.043 495 E CA -0.010 56.357 56.400 -0.055 0.000 0.895 495 E CB 1.230 30.906 29.700 -0.040 0.000 1.011 495 E HN 0.703 nan 8.360 nan 0.000 0.432 496 M N 2.876 122.504 119.600 0.046 0.000 2.514 496 M HA 0.212 4.701 4.480 0.015 0.000 0.258 496 M C 0.937 177.272 176.300 0.057 0.000 1.119 496 M CA 0.592 55.944 55.300 0.088 0.000 1.111 496 M CB -0.014 32.670 32.600 0.141 0.000 1.390 496 M HN 0.546 nan 8.290 nan 0.000 0.475 497 G N -0.513 108.310 108.800 0.037 0.000 3.356 497 G HA2 0.312 4.280 3.960 0.015 0.000 0.178 497 G HA3 0.312 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 -0.190 120.219 120.400 0.015 0.000 2.268 498 D HA 0.490 5.139 4.640 0.015 0.000 0.249 498 D C 0.084 176.390 176.300 0.009 0.000 1.008 498 D CA -0.284 53.723 54.000 0.011 0.000 0.939 498 D CB 2.160 42.967 40.800 0.012 0.000 1.170 498 D HN 0.056 nan 8.370 nan 0.000 0.468 499 V N 1.586 121.506 119.914 0.010 0.000 2.614 499 V HA 0.047 4.176 4.120 0.015 0.000 0.291 499 V C 0.234 176.337 176.094 0.015 0.000 1.049 499 V CA -0.107 62.200 62.300 0.012 0.000 1.038 499 V CB 0.744 32.577 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 0.276 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 1.657 42.456 40.800 -0.001 0.000 1.043 500 D HN 0.528 nan 8.370 nan 0.000 0.500 501 S N 2.150 117.868 115.700 0.031 0.000 2.537 501 S HA 0.385 4.864 4.470 0.015 0.000 0.301 501 S C 0.773 175.365 174.600 -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 3.314 124.461 121.223 -0.128 0.000 2.653 502 L HA 0.370 4.719 4.340 0.015 0.000 0.231 502 L C -0.985 175.412 176.870 -0.788 0.000 1.153 502 L CA 0.052 54.572 54.840 -0.534 0.000 0.933 502 L CB -0.550 41.018 42.059 -0.818 0.000 1.175 502 L HN 0.535 nan 8.230 nan 0.000 0.473 503 F N 0.000 119.945 119.950 -0.008 0.000 2.286 503 F HA 0.000 4.535 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