REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1a4s_1_D DATA FIRST_RESID 1 DATA SEQUENCE AQLVDSMPSA STGSVVVTDD LNYWGGRRIK SKDGATTEPV FEPATGRVLC DATA SEQUENCE QMVPCGAEEV DQAVQSAQAA YLKWSKMAGI ERSRVMLEAA RIIRERRDNI DATA SEQUENCE AKLEVINNGK TITEAEYDID AAWQCIEYYA GLAPTLSGQH IQLPGGAFAY DATA SEQUENCE TRREPLGVCA GILAWNYPFM IAAWKCAPAL ACGNAVVFKP SPMTPVTGVI DATA SEQUENCE LAEIFHEAGV PVGLVNVVQG GAETGSLLCH HPNVAKVSFT GSVPTGKKVM DATA SEQUENCE EMSAKTVKHV TLELGGKSPL LIFKDCELEN AVRGALMANF LTQGQVCTNG DATA SEQUENCE TRVFVQREIM PQFLEEVVKR TKAIVVGDPL LTETRMGGLI SKPQLDKVLG DATA SEQUENCE FVAQAKKEGA RVLCGGEPLT PSDPKLKNGY FMSPCVLDNC RDDMTCVKEE DATA SEQUENCE IFGPVMSVLP FDTEEEVLQR ANNTTFGLAS GVFTRDISRA HRVAANLEAG DATA SEQUENCE TCYINTYSIS PVEVPFGGYK MSGFGRENGQ ATVDYYSQLK TVIVEMGDVD DATA SEQUENCE SLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.578 177.584 -0.009 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 2 Q N 0.858 120.653 119.800 -0.008 0.000 2.123 2 Q HA -0.039 4.309 4.340 0.014 0.000 0.199 2 Q C 1.763 177.756 176.000 -0.012 0.000 0.966 2 Q CA 1.913 57.710 55.803 -0.009 0.000 0.845 2 Q CB -0.866 27.867 28.738 -0.008 0.000 0.907 2 Q HN 0.780 nan 8.270 nan 0.000 0.439 3 L N 1.156 122.373 121.223 -0.012 0.000 2.042 3 L HA -0.132 4.216 4.340 0.014 0.000 0.210 3 L C 2.383 179.242 176.870 -0.018 0.000 1.076 3 L CA 1.397 56.229 54.840 -0.013 0.000 0.749 3 L CB -0.625 41.428 42.059 -0.011 0.000 0.893 3 L HN 0.047 nan 8.230 nan 0.000 0.432 4 V N -0.266 119.636 119.914 -0.020 0.000 2.343 4 V HA -0.281 3.847 4.120 0.014 0.000 0.247 4 V C 2.187 178.263 176.094 -0.030 0.000 1.051 4 V CA 1.996 64.278 62.300 -0.030 0.000 1.036 4 V CB -0.787 31.015 31.823 -0.035 0.000 0.654 4 V HN 0.455 nan 8.190 nan 0.000 0.451 5 D N 0.090 120.475 120.400 -0.023 0.000 2.264 5 D HA -0.095 4.553 4.640 0.014 0.000 0.208 5 D C 2.265 178.553 176.300 -0.020 0.000 0.966 5 D CA 1.535 55.521 54.000 -0.022 0.000 0.864 5 D CB -0.107 40.683 40.800 -0.017 0.000 0.933 5 D HN 0.585 nan 8.370 nan 0.000 0.499 6 S N -0.602 115.086 115.700 -0.019 0.000 2.603 6 S HA -0.004 4.474 4.470 0.014 0.000 0.220 6 S C 1.742 176.331 174.600 -0.018 0.000 0.967 6 S CA -0.044 58.146 58.200 -0.017 0.000 0.920 6 S CB -0.085 63.107 63.200 -0.014 0.000 0.773 6 S HN -0.024 nan 8.310 nan 0.000 0.529 7 M N 1.743 121.330 119.600 -0.023 0.000 2.229 7 M HA 0.094 4.582 4.480 0.014 0.000 0.264 7 M C -1.060 175.226 176.300 -0.022 0.000 1.063 7 M CA 0.488 55.774 55.300 -0.024 0.000 1.114 7 M CB -2.449 30.132 32.600 -0.032 0.000 1.387 7 M HN 0.235 nan 8.290 nan 0.000 0.420 8 P HA -0.075 nan 4.420 nan 0.000 0.221 8 P C 1.215 178.505 177.300 -0.016 0.000 1.145 8 P CA 1.381 64.469 63.100 -0.020 0.000 0.795 8 P CB -0.171 31.517 31.700 -0.020 0.000 0.775 9 S N -2.737 112.954 115.700 -0.015 0.000 2.554 9 S HA 0.477 4.955 4.470 0.014 0.000 0.226 9 S C 0.770 175.363 174.600 -0.012 0.000 0.980 9 S CA -0.427 57.765 58.200 -0.013 0.000 0.939 9 S CB -0.409 62.784 63.200 -0.012 0.000 0.832 9 S HN 0.033 nan 8.310 nan 0.000 0.486 10 A N 1.614 124.427 122.820 -0.013 0.000 2.264 10 A HA 0.860 5.188 4.320 0.014 0.000 0.304 10 A C 0.350 177.928 177.584 -0.010 0.000 1.100 10 A CA -0.143 51.887 52.037 -0.012 0.000 0.839 10 A CB 1.041 20.033 19.000 -0.013 0.000 1.121 10 A HN 1.104 nan 8.150 nan 0.000 0.496 11 S N -0.802 114.893 115.700 -0.008 0.000 2.643 11 S HA 0.596 5.074 4.470 0.014 0.000 0.270 11 S C -0.403 174.194 174.600 -0.004 0.000 1.166 11 S CA -0.442 57.755 58.200 -0.006 0.000 0.815 11 S CB 0.675 63.872 63.200 -0.006 0.000 1.139 11 S HN 0.784 nan 8.310 nan 0.000 0.472 12 T N 1.413 115.967 114.554 0.000 0.000 2.888 12 T HA 0.502 4.860 4.350 0.014 0.000 0.301 12 T C 1.470 176.171 174.700 0.002 0.000 1.001 12 T CA 1.358 63.461 62.100 0.004 0.000 1.147 12 T CB 0.044 68.921 68.868 0.015 0.000 0.931 12 T HN 1.990 nan 8.240 nan 0.000 0.541 13 G N 2.192 110.992 108.800 -0.000 0.000 2.176 13 G HA2 -0.323 3.646 3.960 0.014 0.000 0.253 13 G HA3 -0.323 3.646 3.960 0.014 0.000 0.253 13 G C 1.127 176.026 174.900 -0.003 0.000 0.979 13 G CA 0.856 45.955 45.100 -0.001 0.000 0.641 13 G HN 0.967 nan 8.290 nan 0.000 0.530 14 S N -1.155 114.543 115.700 -0.004 0.000 2.483 14 S HA 0.510 4.988 4.470 0.014 0.000 0.221 14 S C 1.029 175.625 174.600 -0.007 0.000 1.030 14 S CA 0.830 59.027 58.200 -0.005 0.000 0.925 14 S CB 0.489 63.685 63.200 -0.006 0.000 0.795 14 S HN 0.839 nan 8.310 nan 0.000 0.511 15 V N 2.051 121.960 119.914 -0.007 0.000 2.732 15 V HA 0.579 4.708 4.120 0.014 0.000 0.297 15 V C 0.012 176.100 176.094 -0.010 0.000 1.060 15 V CA -0.429 61.866 62.300 -0.009 0.000 1.038 15 V CB 1.433 33.250 31.823 -0.009 0.000 1.003 15 V HN 0.355 nan 8.190 nan 0.000 0.481 16 V N 5.338 125.244 119.914 -0.012 0.000 2.656 16 V HA 0.597 4.725 4.120 0.014 0.000 0.307 16 V C -0.671 175.413 176.094 -0.016 0.000 1.051 16 V CA -0.392 61.898 62.300 -0.016 0.000 0.893 16 V CB 2.415 34.228 31.823 -0.016 0.000 0.999 16 V HN 0.595 nan 8.190 nan 0.000 0.426 17 V N 5.842 125.745 119.914 -0.020 0.000 2.370 17 V HA 0.423 4.551 4.120 0.014 0.000 0.279 17 V C 0.977 177.060 176.094 -0.017 0.000 1.029 17 V CA 0.445 62.735 62.300 -0.016 0.000 0.870 17 V CB 1.504 33.319 31.823 -0.013 0.000 0.984 17 V HN 1.065 nan 8.190 nan 0.000 0.451 18 T N -0.919 113.626 114.554 -0.014 0.000 3.084 18 T HA 0.238 4.596 4.350 0.014 0.000 0.270 18 T C 0.178 174.870 174.700 -0.015 0.000 1.008 18 T CA -0.441 61.650 62.100 -0.015 0.000 0.900 18 T CB -0.049 68.810 68.868 -0.014 0.000 1.084 18 T HN 0.540 nan 8.240 nan 0.000 0.538 19 D N 2.524 122.917 120.400 -0.012 0.000 2.313 19 D HA 0.205 4.853 4.640 0.014 0.000 0.247 19 D C -0.454 175.838 176.300 -0.014 0.000 1.094 19 D CA -0.255 53.738 54.000 -0.012 0.000 0.925 19 D CB 0.924 41.720 40.800 -0.007 0.000 1.188 19 D HN 0.238 nan 8.370 nan 0.000 0.430 20 D N 1.067 121.455 120.400 -0.020 0.000 2.389 20 D HA 0.085 4.733 4.640 0.014 0.000 0.247 20 D C 0.945 177.237 176.300 -0.015 0.000 1.128 20 D CA -0.002 53.981 54.000 -0.028 0.000 0.884 20 D CB 1.578 42.344 40.800 -0.055 0.000 1.194 20 D HN 0.248 nan 8.370 nan 0.000 0.441 21 L N 1.585 122.805 121.223 -0.006 0.000 2.693 21 L HA 0.109 4.457 4.340 0.014 0.000 0.235 21 L C 0.600 177.489 176.870 0.032 0.000 1.127 21 L CA -0.159 54.692 54.840 0.017 0.000 0.914 21 L CB 0.070 42.146 42.059 0.029 0.000 1.193 21 L HN 0.130 nan 8.230 nan 0.000 0.502 22 N N 0.638 119.336 118.700 -0.004 0.000 2.518 22 N HA 0.220 4.968 4.740 0.014 0.000 0.283 22 N C -1.381 174.058 175.510 -0.118 0.000 1.119 22 N CA 0.004 53.047 53.050 -0.012 0.000 0.983 22 N CB 1.556 40.020 38.487 -0.038 0.000 1.139 22 N HN -0.038 nan 8.380 nan 0.000 0.465 23 Y N 2.071 122.258 120.300 -0.189 0.000 2.307 23 Y HA 0.424 4.982 4.550 0.013 0.000 0.323 23 Y C -1.778 174.129 175.900 0.012 0.000 1.100 23 Y CA -0.860 57.112 58.100 -0.214 0.000 1.140 23 Y CB 0.633 39.023 38.460 -0.118 0.000 1.159 23 Y HN 0.660 nan 8.280 nan 0.000 0.436 24 W N 3.416 124.465 121.300 -0.418 0.000 3.146 24 W HA 0.644 5.311 4.660 0.013 0.000 0.319 24 W C 0.313 176.606 176.519 -0.378 0.000 1.258 24 W CA -1.443 55.702 57.345 -0.334 0.000 1.189 24 W CB 0.845 30.219 29.460 -0.143 0.000 1.412 24 W HN 1.044 nan 8.180 nan 0.000 0.567 25 G N 0.494 109.302 108.800 0.013 0.000 2.160 25 G HA2 0.234 4.202 3.960 0.014 0.000 0.251 25 G HA3 0.234 4.202 3.960 0.014 0.000 0.251 25 G C 1.113 175.870 174.900 -0.239 0.000 1.008 25 G CA 1.268 46.339 45.100 -0.048 0.000 0.724 25 G HN 2.728 nan 8.290 nan 0.000 0.514 26 G N -1.278 107.219 108.800 -0.504 0.000 2.143 26 G HA2 0.020 3.988 3.960 0.014 0.000 0.248 26 G HA3 0.020 3.988 3.960 0.014 0.000 0.248 26 G C 0.201 174.680 174.900 -0.702 0.000 0.991 26 G CA 1.343 46.017 45.100 -0.710 0.000 0.689 26 G HN 2.208 nan 8.290 nan 0.000 0.522 27 R N -1.824 118.102 120.500 -0.956 0.000 2.663 27 R HA 0.669 5.017 4.340 0.014 0.000 0.267 27 R C -0.380 175.591 176.300 -0.547 0.000 1.038 27 R CA -1.248 54.519 56.100 -0.556 0.000 0.886 27 R CB 1.054 31.167 30.300 -0.311 0.000 1.249 27 R HN 0.120 nan 8.270 nan 0.000 0.463 28 R N 1.626 122.040 120.500 -0.144 0.000 2.489 28 R HA 0.214 4.562 4.340 0.014 0.000 0.287 28 R C -0.056 176.084 176.300 -0.267 0.000 1.053 28 R CA -0.234 55.808 56.100 -0.097 0.000 1.036 28 R CB 0.408 30.713 30.300 0.009 0.000 0.966 28 R HN 0.359 nan 8.270 nan 0.000 0.432 29 I N 3.400 123.738 120.570 -0.386 0.000 2.331 29 I HA 0.151 4.329 4.170 0.014 0.000 0.292 29 I C 0.262 176.238 176.117 -0.234 0.000 0.998 29 I CA -0.855 60.184 61.300 -0.436 0.000 1.267 29 I CB 1.238 38.742 38.000 -0.827 0.000 1.386 29 I HN 0.361 nan 8.210 nan 0.000 0.476 30 K N 4.484 124.788 120.400 -0.161 0.000 2.378 30 K HA 0.116 4.444 4.320 0.014 0.000 0.288 30 K C 0.412 176.975 176.600 -0.061 0.000 1.057 30 K CA -0.062 56.171 56.287 -0.089 0.000 0.971 30 K CB 0.313 32.774 32.500 -0.065 0.000 0.975 30 K HN 0.730 nan 8.250 nan 0.000 0.475 31 S N 2.527 118.204 115.700 -0.039 0.000 2.559 31 S HA 0.165 4.643 4.470 0.014 0.000 0.282 31 S C 0.126 174.728 174.600 0.004 0.000 1.336 31 S CA -0.368 57.828 58.200 -0.006 0.000 1.037 31 S CB 0.848 64.049 63.200 0.002 0.000 0.853 31 S HN 0.533 nan 8.310 nan 0.000 0.523 32 K N -0.399 120.014 120.400 0.022 0.000 2.580 32 K HA 0.416 4.744 4.320 0.014 0.000 0.288 32 K C -0.451 176.167 176.600 0.031 0.000 1.041 32 K CA 0.317 56.617 56.287 0.022 0.000 0.855 32 K CB 1.046 33.559 32.500 0.022 0.000 1.543 32 K HN 0.735 nan 8.250 nan 0.000 0.388 33 D N -0.897 119.519 120.400 0.027 0.000 2.439 33 D HA -0.145 4.503 4.640 0.014 0.000 0.172 33 D C 0.373 176.687 176.300 0.023 0.000 1.026 33 D CA 2.446 56.463 54.000 0.028 0.000 1.043 33 D CB -1.325 39.497 40.800 0.037 0.000 1.098 33 D HN 1.078 nan 8.370 nan 0.000 0.467 34 G N 0.503 109.316 108.800 0.021 0.000 2.371 34 G HA2 0.086 4.054 3.960 0.014 0.000 0.299 34 G HA3 0.086 4.054 3.960 0.014 0.000 0.299 34 G C 0.493 175.406 174.900 0.021 0.000 1.014 34 G CA 0.934 46.045 45.100 0.018 0.000 1.097 34 G HN 1.400 nan 8.290 nan 0.000 0.512 35 A N 0.296 123.133 122.820 0.027 0.000 2.483 35 A HA 0.613 4.941 4.320 0.014 0.000 0.238 35 A C 1.162 178.762 177.584 0.027 0.000 1.070 35 A CA 0.881 52.936 52.037 0.031 0.000 0.770 35 A CB 0.271 19.295 19.000 0.040 0.000 1.008 35 A HN 1.106 nan 8.150 nan 0.000 0.497 36 T N 2.697 117.267 114.554 0.027 0.000 2.792 36 T HA 0.330 4.688 4.350 0.014 0.000 0.286 36 T C 0.976 175.691 174.700 0.024 0.000 0.970 36 T CA 0.822 62.936 62.100 0.024 0.000 1.187 36 T CB -0.472 68.411 68.868 0.025 0.000 0.915 36 T HN 0.931 nan 8.240 nan 0.000 0.529 37 T N 1.566 116.130 114.554 0.017 0.000 2.862 37 T HA 0.554 4.913 4.350 0.014 0.000 0.276 37 T C -0.452 174.253 174.700 0.009 0.000 0.974 37 T CA -1.062 61.046 62.100 0.012 0.000 0.966 37 T CB 1.184 70.052 68.868 0.001 0.000 1.072 37 T HN 0.418 nan 8.240 nan 0.000 0.538 38 E N 1.174 121.374 120.200 0.001 0.000 2.293 38 E HA 0.433 4.791 4.350 0.014 0.000 0.270 38 E C -2.804 173.758 176.600 -0.063 0.000 0.879 38 E CA -2.446 53.952 56.400 -0.004 0.000 0.756 38 E CB 1.989 31.703 29.700 0.023 0.000 1.208 38 E HN 0.492 nan 8.360 nan 0.000 0.428 39 P HA 0.082 nan 4.420 nan 0.000 0.275 39 P C -0.315 176.704 177.300 -0.467 0.000 1.228 39 P CA -0.355 62.531 63.100 -0.357 0.000 0.786 39 P CB 0.941 32.337 31.700 -0.507 0.000 0.927 40 V N 3.564 123.168 119.914 -0.517 0.000 2.487 40 V HA 0.610 4.738 4.120 0.014 0.000 0.298 40 V C -1.386 174.464 176.094 -0.407 0.000 1.028 40 V CA -0.715 61.391 62.300 -0.324 0.000 0.860 40 V CB 0.520 32.280 31.823 -0.104 0.000 0.991 40 V HN 0.214 nan 8.190 nan 0.000 0.427 41 F N 3.133 123.102 119.950 0.032 0.000 2.523 41 F HA 0.578 5.113 4.527 0.013 0.000 0.329 41 F C 0.475 176.275 175.800 -0.000 0.000 1.061 41 F CA -0.618 57.403 58.000 0.035 0.000 0.967 41 F CB 1.733 40.808 39.000 0.125 0.000 1.218 41 F HN 0.623 nan 8.300 nan 0.000 0.480 42 E N 3.248 123.540 120.200 0.154 0.000 2.046 42 E HA 0.262 4.620 4.350 0.014 0.000 0.279 42 E C -2.119 174.422 176.600 -0.098 0.000 0.989 42 E CA -1.905 54.511 56.400 0.028 0.000 0.798 42 E CB 1.249 30.949 29.700 0.000 0.000 1.086 42 E HN 0.251 nan 8.360 nan 0.000 0.399 43 P HA -0.143 nan 4.420 nan 0.000 0.216 43 P C 0.736 177.731 177.300 -0.508 0.000 1.150 43 P CA 1.255 64.174 63.100 -0.301 0.000 0.837 43 P CB 0.243 31.876 31.700 -0.111 0.000 0.786 44 A N -1.024 121.620 122.820 -0.293 0.000 2.172 44 A HA -0.077 4.251 4.320 0.014 0.000 0.216 44 A C 1.848 179.393 177.584 -0.065 0.000 1.154 44 A CA 2.121 54.054 52.037 -0.174 0.000 0.701 44 A CB -1.246 17.778 19.000 0.039 0.000 0.789 44 A HN 0.365 nan 8.150 nan 0.000 0.465 45 T N -7.563 106.884 114.554 -0.178 0.000 3.029 45 T HA 0.418 4.776 4.350 0.014 0.000 0.256 45 T C 1.404 175.998 174.700 -0.176 0.000 0.914 45 T CA 1.046 63.087 62.100 -0.100 0.000 0.880 45 T CB 0.108 68.953 68.868 -0.038 0.000 1.246 45 T HN 1.686 nan 8.240 nan 0.000 0.523 46 G N 2.219 110.816 108.800 -0.339 0.000 2.179 46 G HA2 -0.262 3.706 3.960 0.014 0.000 0.260 46 G HA3 -0.262 3.706 3.960 0.014 0.000 0.260 46 G C 0.164 175.107 174.900 0.072 0.000 0.977 46 G CA 0.077 45.011 45.100 -0.277 0.000 0.641 46 G HN 0.763 nan 8.290 nan 0.000 0.533 47 R N -0.431 120.110 120.500 0.068 0.000 2.679 47 R HA 0.470 4.818 4.340 0.014 0.000 0.269 47 R C 0.464 176.861 176.300 0.161 0.000 1.076 47 R CA -0.348 55.815 56.100 0.105 0.000 1.160 47 R CB 0.963 31.285 30.300 0.036 0.000 1.054 47 R HN 0.072 nan 8.270 nan 0.000 0.507 48 V N 4.198 124.146 119.914 0.056 0.000 2.455 48 V HA 0.021 4.149 4.120 0.014 0.000 0.273 48 V C 1.293 177.328 176.094 -0.098 0.000 1.045 48 V CA 0.135 62.354 62.300 -0.135 0.000 0.976 48 V CB 1.012 32.735 31.823 -0.167 0.000 0.993 48 V HN 0.680 nan 8.190 nan 0.000 0.475 49 L N 4.487 125.637 121.223 -0.122 0.000 2.249 49 L HA 0.188 4.536 4.340 0.014 0.000 0.207 49 L C 0.825 177.651 176.870 -0.073 0.000 1.090 49 L CA 0.696 55.495 54.840 -0.068 0.000 0.802 49 L CB 0.219 42.251 42.059 -0.044 0.000 0.947 49 L HN 0.936 nan 8.230 nan 0.000 0.453 50 C N -4.135 115.099 119.300 -0.109 0.000 3.056 50 C HA 0.326 4.794 4.460 0.014 0.000 0.336 50 C C -1.557 173.365 174.990 -0.113 0.000 1.356 50 C CA -1.263 57.703 59.018 -0.086 0.000 1.216 50 C CB 1.171 28.879 27.740 -0.052 0.000 1.391 50 C HN 0.050 nan 8.230 nan 0.000 0.445 51 Q N 1.099 120.853 119.800 -0.077 0.000 2.274 51 Q HA 0.605 4.953 4.340 0.014 0.000 0.260 51 Q C -0.466 175.511 176.000 -0.039 0.000 0.974 51 Q CA -0.297 55.463 55.803 -0.071 0.000 0.876 51 Q CB 1.906 30.615 28.738 -0.049 0.000 1.297 51 Q HN 0.914 nan 8.270 nan 0.000 0.446 52 M N 0.806 120.390 119.600 -0.027 0.000 2.209 52 M HA 0.432 4.920 4.480 0.014 0.000 0.355 52 M C -1.056 175.255 176.300 0.019 0.000 1.171 52 M CA -0.613 54.691 55.300 0.006 0.000 1.069 52 M CB 1.340 33.953 32.600 0.021 0.000 1.622 52 M HN 0.205 nan 8.290 nan 0.000 0.459 53 V N 7.068 127.001 119.914 0.032 0.000 2.326 53 V HA 0.705 4.834 4.120 0.014 0.000 0.281 53 V C -2.492 173.641 176.094 0.064 0.000 1.015 53 V CA -1.851 60.473 62.300 0.040 0.000 0.823 53 V CB 1.112 32.954 31.823 0.032 0.000 1.009 53 V HN 0.966 nan 8.190 nan 0.000 0.436 54 P HA 0.255 nan 4.420 nan 0.000 0.274 54 P C -0.416 176.939 177.300 0.091 0.000 1.231 54 P CA -0.191 62.957 63.100 0.079 0.000 0.790 54 P CB 0.999 32.740 31.700 0.068 0.000 0.951 55 C N 2.005 121.366 119.300 0.101 0.000 2.388 55 C HA 0.665 5.133 4.460 0.014 0.000 0.362 55 C C 1.393 176.424 174.990 0.068 0.000 1.266 55 C CA 0.125 59.205 59.018 0.103 0.000 2.028 55 C CB 0.624 28.428 27.740 0.106 0.000 2.440 55 C HN 0.729 nan 8.230 nan 0.000 0.547 56 G N 1.053 109.889 108.800 0.060 0.000 2.671 56 G HA2 0.512 4.481 3.960 0.014 0.000 0.275 56 G HA3 0.512 4.481 3.960 0.014 0.000 0.275 56 G C 0.924 175.840 174.900 0.027 0.000 1.368 56 G CA 0.285 45.411 45.100 0.044 0.000 1.044 56 G HN 0.918 nan 8.290 nan 0.000 0.543 57 A N -0.678 122.157 122.820 0.026 0.000 1.902 57 A HA -0.031 4.298 4.320 0.014 0.000 0.217 57 A C 2.121 179.707 177.584 0.005 0.000 1.181 57 A CA 2.332 54.382 52.037 0.022 0.000 0.623 57 A CB -0.548 18.463 19.000 0.018 0.000 0.818 57 A HN 0.594 nan 8.150 nan 0.000 0.443 58 E N 0.282 120.483 120.200 0.002 0.000 2.077 58 E HA -0.152 4.206 4.350 0.014 0.000 0.193 58 E C 1.820 178.383 176.600 -0.062 0.000 0.989 58 E CA 1.586 57.982 56.400 -0.008 0.000 0.800 58 E CB -0.327 29.384 29.700 0.020 0.000 0.746 58 E HN 0.736 nan 8.360 nan 0.000 0.452 59 E N 0.151 120.310 120.200 -0.067 0.000 2.046 59 E HA -0.081 4.277 4.350 0.014 0.000 0.190 59 E C 2.071 178.357 176.600 -0.522 0.000 0.982 59 E CA 0.853 57.130 56.400 -0.205 0.000 0.800 59 E CB -0.079 29.634 29.700 0.020 0.000 0.756 59 E HN 0.033 nan 8.360 nan 0.000 0.449 60 V N 1.289 121.039 119.914 -0.274 0.000 2.343 60 V HA -0.273 3.855 4.120 0.014 0.000 0.247 60 V C 1.949 177.863 176.094 -0.301 0.000 1.051 60 V CA 2.143 64.286 62.300 -0.263 0.000 1.036 60 V CB -0.482 31.295 31.823 -0.076 0.000 0.654 60 V HN 0.304 nan 8.190 nan 0.000 0.451 61 D N -0.672 119.633 120.400 -0.159 0.000 2.144 61 D HA -0.192 4.456 4.640 0.014 0.000 0.200 61 D C 2.247 178.414 176.300 -0.222 0.000 0.978 61 D CA 1.292 55.256 54.000 -0.060 0.000 0.833 61 D CB -0.035 40.818 40.800 0.088 0.000 0.961 61 D HN 0.479 nan 8.370 nan 0.000 0.470 62 Q N -0.443 119.134 119.800 -0.372 0.000 2.079 62 Q HA -0.078 4.270 4.340 0.014 0.000 0.200 62 Q C 2.226 177.807 176.000 -0.698 0.000 0.974 62 Q CA 1.337 56.861 55.803 -0.465 0.000 0.840 62 Q CB -0.158 28.292 28.738 -0.479 0.000 0.898 62 Q HN 0.366 nan 8.270 nan 0.000 0.430 63 A N 0.068 122.255 122.820 -1.055 0.000 1.883 63 A HA -0.164 4.165 4.320 0.014 0.000 0.217 63 A C 2.270 179.652 177.584 -0.336 0.000 1.186 63 A CA 1.519 53.125 52.037 -0.718 0.000 0.624 63 A CB -0.741 17.887 19.000 -0.620 0.000 0.822 63 A HN 0.234 nan 8.150 nan 0.000 0.444 64 V N -0.096 119.604 119.914 -0.357 0.000 2.307 64 V HA -0.303 3.825 4.120 0.014 0.000 0.245 64 V C 2.635 178.619 176.094 -0.183 0.000 1.045 64 V CA 2.175 64.289 62.300 -0.310 0.000 1.024 64 V CB -0.967 30.491 31.823 -0.609 0.000 0.651 64 V HN 0.635 nan 8.190 nan 0.000 0.449 65 Q N -0.163 119.546 119.800 -0.151 0.000 2.096 65 Q HA -0.238 4.110 4.340 0.014 0.000 0.204 65 Q C 2.540 178.527 176.000 -0.021 0.000 0.982 65 Q CA 2.057 57.827 55.803 -0.055 0.000 0.850 65 Q CB -0.386 28.331 28.738 -0.035 0.000 0.901 65 Q HN 0.656 nan 8.270 nan 0.000 0.422 66 S N 0.379 116.059 115.700 -0.033 0.000 2.356 66 S HA -0.183 4.295 4.470 0.014 0.000 0.223 66 S C 2.080 176.706 174.600 0.044 0.000 1.032 66 S CA 1.156 59.376 58.200 0.034 0.000 1.005 66 S CB -0.253 62.999 63.200 0.087 0.000 0.867 66 S HN 0.436 nan 8.310 nan 0.000 0.449 67 A N 1.049 123.877 122.820 0.013 0.000 1.917 67 A HA -0.190 4.139 4.320 0.014 0.000 0.219 67 A C 2.196 179.823 177.584 0.071 0.000 1.182 67 A CA 2.244 54.297 52.037 0.026 0.000 0.633 67 A CB -1.240 17.746 19.000 -0.022 0.000 0.819 67 A HN 0.664 nan 8.150 nan 0.000 0.448 68 Q N -0.089 119.744 119.800 0.055 0.000 2.084 68 Q HA -0.059 4.289 4.340 0.014 0.000 0.202 68 Q C 2.010 178.112 176.000 0.171 0.000 0.978 68 Q CA 2.396 58.271 55.803 0.120 0.000 0.844 68 Q CB -0.645 28.134 28.738 0.069 0.000 0.898 68 Q HN 0.557 nan 8.270 nan 0.000 0.426 69 A N 0.157 123.043 122.820 0.110 0.000 1.930 69 A HA 0.048 4.376 4.320 0.014 0.000 0.217 69 A C 2.288 179.936 177.584 0.106 0.000 1.175 69 A CA 1.694 53.790 52.037 0.099 0.000 0.627 69 A CB -1.103 17.941 19.000 0.073 0.000 0.815 69 A HN 0.528 nan 8.150 nan 0.000 0.443 70 A N -1.323 121.563 122.820 0.109 0.000 1.933 70 A HA -0.103 4.225 4.320 0.014 0.000 0.218 70 A C 2.101 179.780 177.584 0.158 0.000 1.175 70 A CA 1.635 53.734 52.037 0.103 0.000 0.628 70 A CB -0.821 18.209 19.000 0.050 0.000 0.814 70 A HN 0.770 nan 8.150 nan 0.000 0.444 71 Y N 0.234 120.580 120.300 0.078 0.000 2.165 71 Y HA -0.199 4.358 4.550 0.012 0.000 0.286 71 Y C 1.813 177.790 175.900 0.128 0.000 1.155 71 Y CA 1.601 59.773 58.100 0.121 0.000 1.164 71 Y CB -0.401 38.108 38.460 0.081 0.000 0.978 71 Y HN 0.185 nan 8.280 nan 0.000 0.513 72 L N 0.764 121.947 121.223 -0.067 0.000 2.127 72 L HA -0.199 4.150 4.340 0.014 0.000 0.211 72 L C 2.384 179.186 176.870 -0.113 0.000 1.089 72 L CA 2.132 56.881 54.840 -0.151 0.000 0.757 72 L CB -1.212 40.846 42.059 -0.002 0.000 0.899 72 L HN 0.281 nan 8.230 nan 0.000 0.434 73 K N -1.406 118.990 120.400 -0.006 0.000 2.044 73 K HA -0.174 4.154 4.320 0.014 0.000 0.204 73 K C 2.146 178.796 176.600 0.083 0.000 1.045 73 K CA 1.106 57.417 56.287 0.040 0.000 0.951 73 K CB -0.724 31.830 32.500 0.090 0.000 0.738 73 K HN 0.357 nan 8.250 nan 0.000 0.443 74 W N 1.717 122.965 121.300 -0.086 0.000 2.402 74 W HA -0.131 4.537 4.660 0.015 0.000 0.286 74 W C 1.399 177.863 176.519 -0.092 0.000 1.221 74 W CA 1.720 59.028 57.345 -0.062 0.000 1.257 74 W CB -0.080 29.367 29.460 -0.022 0.000 1.120 74 W HN 0.317 nan 8.180 nan 0.000 0.551 75 S N 0.127 115.766 115.700 -0.102 0.000 2.555 75 S HA -0.072 4.406 4.470 0.014 0.000 0.230 75 S C 1.255 175.730 174.600 -0.208 0.000 0.978 75 S CA 0.698 58.758 58.200 -0.233 0.000 0.934 75 S CB -0.145 62.764 63.200 -0.485 0.000 0.766 75 S HN -0.039 nan 8.310 nan 0.000 0.533 76 K N 0.687 120.985 120.400 -0.171 0.000 2.367 76 K HA 0.430 4.758 4.320 0.014 0.000 0.194 76 K C 0.271 176.790 176.600 -0.135 0.000 1.027 76 K CA 0.045 56.256 56.287 -0.126 0.000 1.075 76 K CB -0.175 32.273 32.500 -0.087 0.000 0.845 76 K HN 0.505 nan 8.250 nan 0.000 0.529 77 M N 0.544 120.024 119.600 -0.200 0.000 2.235 77 M HA 0.290 4.778 4.480 0.014 0.000 0.351 77 M C 0.367 176.507 176.300 -0.268 0.000 1.178 77 M CA -0.508 54.651 55.300 -0.235 0.000 1.143 77 M CB 1.372 33.781 32.600 -0.319 0.000 1.530 77 M HN -0.028 nan 8.290 nan 0.000 0.461 78 A N 2.203 124.908 122.820 -0.192 0.000 2.280 78 A HA 0.554 4.882 4.320 0.014 0.000 0.268 78 A C 1.317 178.788 177.584 -0.190 0.000 1.111 78 A CA 0.043 51.985 52.037 -0.159 0.000 0.814 78 A CB -0.314 18.624 19.000 -0.103 0.000 1.093 78 A HN 1.027 nan 8.150 nan 0.000 0.498 79 G N -0.366 108.351 108.800 -0.138 0.000 2.476 79 G HA2 -0.231 3.738 3.960 0.014 0.000 0.218 79 G HA3 -0.231 3.738 3.960 0.014 0.000 0.218 79 G C 1.340 176.179 174.900 -0.102 0.000 1.164 79 G CA 1.401 46.429 45.100 -0.119 0.000 0.768 79 G HN 0.691 nan 8.290 nan 0.000 0.560 80 I N 0.722 121.246 120.570 -0.077 0.000 2.454 80 I HA -0.111 4.067 4.170 0.014 0.000 0.254 80 I C 2.653 178.737 176.117 -0.055 0.000 1.156 80 I CA 1.434 62.703 61.300 -0.052 0.000 1.433 80 I CB 0.004 37.979 38.000 -0.041 0.000 1.082 80 I HN 0.342 nan 8.210 nan 0.000 0.432 81 E N -0.312 119.831 120.200 -0.095 0.000 2.122 81 E HA -0.100 4.258 4.350 0.014 0.000 0.190 81 E C 2.255 178.776 176.600 -0.132 0.000 0.977 81 E CA 0.494 56.838 56.400 -0.093 0.000 0.820 81 E CB -0.096 29.541 29.700 -0.105 0.000 0.770 81 E HN 0.451 nan 8.360 nan 0.000 0.462 82 R N 0.756 121.085 120.500 -0.285 0.000 2.075 82 R HA -0.047 4.302 4.340 0.014 0.000 0.232 82 R C 2.586 178.905 176.300 0.031 0.000 1.126 82 R CA 1.090 56.964 56.100 -0.376 0.000 0.963 82 R CB -0.371 29.541 30.300 -0.645 0.000 0.858 82 R HN 0.022 nan 8.270 nan 0.000 0.435 83 S N 0.683 116.393 115.700 0.016 0.000 2.368 83 S HA -0.189 4.289 4.470 0.014 0.000 0.226 83 S C 2.036 176.705 174.600 0.115 0.000 1.044 83 S CA 1.288 59.535 58.200 0.079 0.000 1.062 83 S CB -0.079 63.140 63.200 0.032 0.000 0.931 83 S HN 0.217 nan 8.310 nan 0.000 0.440 84 R N 0.289 120.840 120.500 0.086 0.000 2.091 84 R HA -0.049 4.299 4.340 0.014 0.000 0.238 84 R C 2.303 178.685 176.300 0.138 0.000 1.136 84 R CA 1.467 57.621 56.100 0.091 0.000 0.959 84 R CB -1.186 29.153 30.300 0.064 0.000 0.856 84 R HN 0.430 nan 8.270 nan 0.000 0.437 85 V N 1.169 121.202 119.914 0.199 0.000 2.358 85 V HA -0.235 3.893 4.120 0.014 0.000 0.246 85 V C 2.463 178.728 176.094 0.284 0.000 1.047 85 V CA 1.629 64.083 62.300 0.257 0.000 1.035 85 V CB -0.388 31.668 31.823 0.389 0.000 0.658 85 V HN 0.278 nan 8.190 nan 0.000 0.452 86 M N -0.788 119.015 119.600 0.339 0.000 2.159 86 M HA -0.168 4.320 4.480 0.014 0.000 0.263 86 M C 2.170 178.622 176.300 0.253 0.000 1.063 86 M CA 1.854 57.369 55.300 0.358 0.000 1.110 86 M CB -0.468 32.353 32.600 0.369 0.000 1.374 86 M HN 0.267 nan 8.290 nan 0.000 0.411 87 L N -0.264 121.073 121.223 0.190 0.000 2.083 87 L HA -0.192 4.156 4.340 0.014 0.000 0.209 87 L C 2.554 179.484 176.870 0.100 0.000 1.083 87 L CA 0.933 55.857 54.840 0.139 0.000 0.752 87 L CB -0.619 41.503 42.059 0.106 0.000 0.899 87 L HN 0.294 nan 8.230 nan 0.000 0.433 88 E N 0.144 120.405 120.200 0.101 0.000 2.106 88 E HA -0.153 4.205 4.350 0.014 0.000 0.192 88 E C 2.292 178.919 176.600 0.045 0.000 0.984 88 E CA 1.240 57.678 56.400 0.065 0.000 0.806 88 E CB -0.144 29.600 29.700 0.075 0.000 0.750 88 E HN 0.446 nan 8.360 nan 0.000 0.458 89 A N 1.591 124.452 122.820 0.067 0.000 1.902 89 A HA -0.097 4.231 4.320 0.014 0.000 0.217 89 A C 2.428 179.995 177.584 -0.029 0.000 1.181 89 A CA 2.032 54.043 52.037 -0.044 0.000 0.623 89 A CB -0.550 18.331 19.000 -0.199 0.000 0.818 89 A HN 0.264 nan 8.150 nan 0.000 0.443 90 A N -0.324 122.535 122.820 0.067 0.000 1.902 90 A HA -0.171 4.158 4.320 0.014 0.000 0.217 90 A C 2.251 179.810 177.584 -0.042 0.000 1.181 90 A CA 1.721 53.832 52.037 0.124 0.000 0.623 90 A CB -0.541 18.601 19.000 0.237 0.000 0.818 90 A HN 0.559 nan 8.150 nan 0.000 0.443 91 R N -0.233 120.226 120.500 -0.069 0.000 2.096 91 R HA -0.143 4.205 4.340 0.014 0.000 0.240 91 R C 1.915 178.134 176.300 -0.136 0.000 1.139 91 R CA 2.029 58.044 56.100 -0.142 0.000 0.952 91 R CB -0.427 29.824 30.300 -0.081 0.000 0.854 91 R HN 0.559 nan 8.270 nan 0.000 0.436 92 I N 0.410 120.934 120.570 -0.076 0.000 2.315 92 I HA -0.263 3.915 4.170 0.014 0.000 0.248 92 I C 2.157 178.238 176.117 -0.060 0.000 1.117 92 I CA 1.100 62.364 61.300 -0.061 0.000 1.404 92 I CB -0.123 37.856 38.000 -0.035 0.000 1.071 92 I HN 0.215 nan 8.210 nan 0.000 0.419 93 I N 0.128 120.678 120.570 -0.032 0.000 2.252 93 I HA -0.243 3.935 4.170 0.014 0.000 0.245 93 I C 2.719 178.798 176.117 -0.064 0.000 1.102 93 I CA 1.143 62.461 61.300 0.029 0.000 1.385 93 I CB -0.416 37.713 38.000 0.215 0.000 1.064 93 I HN 0.105 nan 8.210 nan 0.000 0.414 94 R N 0.822 121.156 120.500 -0.277 0.000 2.096 94 R HA -0.220 4.128 4.340 0.014 0.000 0.240 94 R C 2.209 178.368 176.300 -0.234 0.000 1.139 94 R CA 1.885 57.692 56.100 -0.488 0.000 0.952 94 R CB -0.297 29.540 30.300 -0.771 0.000 0.854 94 R HN 0.448 nan 8.270 nan 0.000 0.436 95 E N -0.228 119.864 120.200 -0.180 0.000 2.110 95 E HA -0.157 4.201 4.350 0.014 0.000 0.193 95 E C 1.342 177.892 176.600 -0.084 0.000 0.988 95 E CA 0.964 57.294 56.400 -0.117 0.000 0.804 95 E CB 0.095 29.740 29.700 -0.093 0.000 0.745 95 E HN 0.249 nan 8.360 nan 0.000 0.458 96 R N 0.396 120.850 120.500 -0.077 0.000 2.515 96 R HA 0.190 4.538 4.340 0.014 0.000 0.294 96 R C 1.683 177.937 176.300 -0.076 0.000 1.021 96 R CA -0.313 55.746 56.100 -0.068 0.000 1.081 96 R CB 0.299 30.562 30.300 -0.062 0.000 1.263 96 R HN -0.039 nan 8.270 nan 0.000 0.557 97 R N 1.820 122.284 120.500 -0.059 0.000 2.097 97 R HA -0.176 4.172 4.340 0.014 0.000 0.236 97 R C 0.683 176.950 176.300 -0.054 0.000 1.135 97 R CA 2.010 58.092 56.100 -0.031 0.000 0.934 97 R CB -0.143 30.171 30.300 0.024 0.000 0.846 97 R HN 0.212 nan 8.270 nan 0.000 0.431 98 D N 0.182 120.555 120.400 -0.046 0.000 2.144 98 D HA -0.121 4.527 4.640 0.014 0.000 0.199 98 D C 1.654 177.919 176.300 -0.059 0.000 0.984 98 D CA 0.918 54.890 54.000 -0.046 0.000 0.834 98 D CB -0.414 40.364 40.800 -0.037 0.000 0.955 98 D HN 0.254 nan 8.370 nan 0.000 0.465 99 N N 0.556 119.217 118.700 -0.065 0.000 2.171 99 N HA -0.036 4.712 4.740 0.014 0.000 0.184 99 N C 2.120 177.574 175.510 -0.094 0.000 1.021 99 N CA 0.368 53.378 53.050 -0.067 0.000 0.854 99 N CB -0.177 38.275 38.487 -0.059 0.000 0.994 99 N HN 0.276 nan 8.380 nan 0.000 0.426 100 I N 1.161 121.646 120.570 -0.142 0.000 2.226 100 I HA -0.209 3.970 4.170 0.014 0.000 0.245 100 I C 2.324 178.313 176.117 -0.215 0.000 1.100 100 I CA 0.880 62.038 61.300 -0.236 0.000 1.374 100 I CB -0.325 37.422 38.000 -0.421 0.000 1.057 100 I HN 0.043 nan 8.210 nan 0.000 0.413 101 A N 0.652 123.376 122.820 -0.160 0.000 1.908 101 A HA -0.261 4.067 4.320 0.014 0.000 0.218 101 A C 2.403 179.946 177.584 -0.069 0.000 1.181 101 A CA 1.766 53.742 52.037 -0.102 0.000 0.627 101 A CB -0.527 18.436 19.000 -0.062 0.000 0.818 101 A HN 0.286 nan 8.150 nan 0.000 0.445 102 K N -0.717 119.647 120.400 -0.060 0.000 2.002 102 K HA -0.074 4.254 4.320 0.014 0.000 0.209 102 K C 1.990 178.568 176.600 -0.037 0.000 1.048 102 K CA 1.383 57.645 56.287 -0.040 0.000 0.930 102 K CB -0.381 32.098 32.500 -0.036 0.000 0.714 102 K HN 0.498 nan 8.250 nan 0.000 0.438 103 L N 1.114 122.308 121.223 -0.049 0.000 2.131 103 L HA -0.219 4.130 4.340 0.014 0.000 0.210 103 L C 2.274 179.131 176.870 -0.022 0.000 1.092 103 L CA 1.541 56.361 54.840 -0.034 0.000 0.759 103 L CB -0.252 41.783 42.059 -0.040 0.000 0.903 103 L HN 0.259 nan 8.230 nan 0.000 0.435 104 E N -0.474 119.703 120.200 -0.038 0.000 2.072 104 E HA -0.177 4.181 4.350 0.014 0.000 0.191 104 E C 2.045 178.642 176.600 -0.004 0.000 0.985 104 E CA 1.426 57.818 56.400 -0.013 0.000 0.801 104 E CB -0.098 29.580 29.700 -0.036 0.000 0.750 104 E HN 0.284 nan 8.360 nan 0.000 0.452 105 V N 0.769 120.674 119.914 -0.015 0.000 2.287 105 V HA -0.276 3.852 4.120 0.014 0.000 0.248 105 V C 2.365 178.457 176.094 -0.003 0.000 1.053 105 V CA 1.949 64.243 62.300 -0.009 0.000 1.027 105 V CB -0.459 31.359 31.823 -0.009 0.000 0.646 105 V HN 0.342 nan 8.190 nan 0.000 0.447 106 I N 0.157 120.725 120.570 -0.003 0.000 2.226 106 I HA -0.279 3.899 4.170 0.014 0.000 0.245 106 I C 2.375 178.498 176.117 0.010 0.000 1.100 106 I CA 2.208 63.508 61.300 -0.000 0.000 1.374 106 I CB -0.442 37.557 38.000 -0.003 0.000 1.057 106 I HN 0.427 nan 8.210 nan 0.000 0.413 107 N N 0.242 118.955 118.700 0.022 0.000 2.250 107 N HA -0.179 4.569 4.740 0.014 0.000 0.181 107 N C 1.846 177.389 175.510 0.055 0.000 1.017 107 N CA 0.763 53.838 53.050 0.043 0.000 0.866 107 N CB 0.098 38.618 38.487 0.055 0.000 0.985 107 N HN 0.291 nan 8.380 nan 0.000 0.429 108 N N -0.266 118.463 118.700 0.050 0.000 2.402 108 N HA -0.024 4.724 4.740 0.014 0.000 0.174 108 N C 1.116 176.646 175.510 0.034 0.000 1.027 108 N CA 1.504 54.594 53.050 0.067 0.000 0.891 108 N CB 0.569 39.095 38.487 0.065 0.000 1.016 108 N HN 0.374 nan 8.380 nan 0.000 0.439 109 G N 1.336 110.137 108.800 0.002 0.000 2.213 109 G HA2 -0.265 3.703 3.960 0.014 0.000 0.226 109 G HA3 -0.265 3.703 3.960 0.014 0.000 0.226 109 G C 0.022 174.910 174.900 -0.020 0.000 0.992 109 G CA 0.465 45.549 45.100 -0.026 0.000 0.632 109 G HN 0.721 nan 8.290 nan 0.000 0.511 110 K N 1.117 121.503 120.400 -0.023 0.000 2.138 110 K HA 0.578 4.907 4.320 0.014 0.000 0.251 110 K C 0.789 177.382 176.600 -0.010 0.000 1.015 110 K CA 0.212 56.480 56.287 -0.032 0.000 0.917 110 K CB 0.443 32.889 32.500 -0.091 0.000 1.021 110 K HN 0.445 nan 8.250 nan 0.000 0.485 111 T N -0.658 113.898 114.554 0.004 0.000 2.898 111 T HA 0.109 4.467 4.350 0.014 0.000 0.301 111 T C 1.389 176.102 174.700 0.022 0.000 1.049 111 T CA -0.554 61.559 62.100 0.021 0.000 1.095 111 T CB 0.205 69.092 68.868 0.032 0.000 0.976 111 T HN 0.555 nan 8.240 nan 0.000 0.539 112 I N 0.912 121.495 120.570 0.022 0.000 2.394 112 I HA -0.036 4.142 4.170 0.014 0.000 0.251 112 I C 2.604 178.746 176.117 0.043 0.000 1.136 112 I CA 1.048 62.360 61.300 0.019 0.000 1.425 112 I CB -1.933 36.071 38.000 0.006 0.000 1.079 112 I HN 0.692 nan 8.210 nan 0.000 0.425 113 T N 0.678 115.269 114.554 0.061 0.000 2.665 113 T HA -0.218 4.140 4.350 0.014 0.000 0.268 113 T C 1.814 176.647 174.700 0.221 0.000 1.035 113 T CA 2.089 64.259 62.100 0.116 0.000 1.151 113 T CB -0.346 68.590 68.868 0.114 0.000 0.862 113 T HN 0.527 nan 8.240 nan 0.000 0.438 114 E N 0.606 120.903 120.200 0.161 0.000 2.076 114 E HA 0.057 4.415 4.350 0.014 0.000 0.190 114 E C 2.621 179.326 176.600 0.176 0.000 0.979 114 E CA 0.727 57.239 56.400 0.185 0.000 0.807 114 E CB -0.185 29.549 29.700 0.057 0.000 0.761 114 E HN 0.470 nan 8.360 nan 0.000 0.454 115 A N 1.572 124.440 122.820 0.080 0.000 1.933 115 A HA -0.250 4.079 4.320 0.014 0.000 0.218 115 A C 1.884 179.499 177.584 0.052 0.000 1.175 115 A CA 1.475 53.537 52.037 0.042 0.000 0.628 115 A CB -0.429 18.571 19.000 -0.001 0.000 0.814 115 A HN 0.177 nan 8.150 nan 0.000 0.444 116 E N -1.269 118.950 120.200 0.033 0.000 2.085 116 E HA -0.231 4.127 4.350 0.014 0.000 0.194 116 E C 1.781 178.356 176.600 -0.042 0.000 0.994 116 E CA 1.639 58.019 56.400 -0.034 0.000 0.801 116 E CB -0.360 29.276 29.700 -0.106 0.000 0.743 116 E HN 0.825 nan 8.360 nan 0.000 0.453 117 Y N 1.350 121.668 120.300 0.031 0.000 2.224 117 Y HA -0.200 4.358 4.550 0.013 0.000 0.289 117 Y C 2.069 177.987 175.900 0.030 0.000 1.146 117 Y CA 1.231 59.347 58.100 0.026 0.000 1.182 117 Y CB -0.150 38.327 38.460 0.029 0.000 0.983 117 Y HN 0.012 nan 8.280 nan 0.000 0.524 118 D N -0.219 120.304 120.400 0.205 0.000 2.117 118 D HA -0.155 4.493 4.640 0.014 0.000 0.197 118 D C 1.986 178.365 176.300 0.132 0.000 0.987 118 D CA 1.244 55.340 54.000 0.160 0.000 0.829 118 D CB -0.171 40.721 40.800 0.153 0.000 0.961 118 D HN 0.209 nan 8.370 nan 0.000 0.460 119 I N 0.909 121.544 120.570 0.108 0.000 2.500 119 I HA -0.107 4.071 4.170 0.014 0.000 0.252 119 I C 1.540 177.753 176.117 0.159 0.000 1.142 119 I CA 0.852 62.234 61.300 0.136 0.000 1.451 119 I CB -0.814 37.190 38.000 0.006 0.000 1.093 119 I HN -0.098 nan 8.210 nan 0.000 0.430 120 D N 1.480 121.903 120.400 0.038 0.000 2.097 120 D HA -0.083 4.566 4.640 0.014 0.000 0.197 120 D C 2.331 178.309 176.300 -0.536 0.000 0.984 120 D CA 1.578 55.408 54.000 -0.283 0.000 0.826 120 D CB -0.010 40.714 40.800 -0.126 0.000 0.973 120 D HN 0.243 nan 8.370 nan 0.000 0.460 121 A N 0.985 123.711 122.820 -0.156 0.000 1.908 121 A HA -0.126 4.202 4.320 0.014 0.000 0.218 121 A C 2.297 179.914 177.584 0.055 0.000 1.181 121 A CA 2.437 54.453 52.037 -0.034 0.000 0.627 121 A CB -0.769 18.326 19.000 0.158 0.000 0.818 121 A HN 0.246 nan 8.150 nan 0.000 0.445 122 A N -0.010 122.881 122.820 0.117 0.000 1.877 122 A HA -0.151 4.177 4.320 0.014 0.000 0.216 122 A C 2.174 179.911 177.584 0.255 0.000 1.186 122 A CA 1.569 53.744 52.037 0.230 0.000 0.620 122 A CB -1.046 18.157 19.000 0.338 0.000 0.822 122 A HN 1.044 nan 8.150 nan 0.000 0.443 123 W N -0.285 121.148 121.300 0.222 0.000 2.418 123 W HA -0.110 4.558 4.660 0.013 0.000 0.292 123 W C 1.514 178.133 176.519 0.166 0.000 1.213 123 W CA 0.996 58.442 57.345 0.169 0.000 1.283 123 W CB -0.848 28.686 29.460 0.123 0.000 1.119 123 W HN 0.363 nan 8.180 nan 0.000 0.542 124 Q N 0.762 120.335 119.800 -0.379 0.000 2.170 124 Q HA -0.188 4.160 4.340 0.014 0.000 0.203 124 Q C 2.527 178.553 176.000 0.044 0.000 0.976 124 Q CA 2.150 57.784 55.803 -0.280 0.000 0.858 124 Q CB -0.654 27.755 28.738 -0.550 0.000 0.907 124 Q HN 0.425 nan 8.270 nan 0.000 0.433 125 C N 0.347 119.713 119.300 0.110 0.000 2.466 125 C HA -0.058 4.410 4.460 0.014 0.000 0.278 125 C C 2.603 177.812 174.990 0.366 0.000 1.288 125 C CA 0.166 59.307 59.018 0.205 0.000 1.722 125 C CB -0.932 26.970 27.740 0.271 0.000 2.017 125 C HN 0.428 nan 8.230 nan 0.000 0.488 126 I N 0.704 121.490 120.570 0.360 0.000 2.226 126 I HA -0.176 4.002 4.170 0.014 0.000 0.245 126 I C 2.636 178.961 176.117 0.346 0.000 1.100 126 I CA 2.067 63.599 61.300 0.385 0.000 1.374 126 I CB -0.663 37.554 38.000 0.362 0.000 1.057 126 I HN 0.458 nan 8.210 nan 0.000 0.413 127 E N 0.274 120.675 120.200 0.335 0.000 2.150 127 E HA -0.276 4.082 4.350 0.014 0.000 0.193 127 E C 2.168 178.891 176.600 0.205 0.000 0.985 127 E CA 1.106 57.676 56.400 0.284 0.000 0.814 127 E CB -0.115 29.801 29.700 0.361 0.000 0.752 127 E HN 0.513 nan 8.360 nan 0.000 0.466 128 Y N -0.660 119.660 120.300 0.034 0.000 2.200 128 Y HA -0.239 4.317 4.550 0.010 0.000 0.290 128 Y C 1.441 177.220 175.900 -0.203 0.000 1.137 128 Y CA 1.662 59.679 58.100 -0.138 0.000 1.163 128 Y CB -0.141 38.149 38.460 -0.283 0.000 0.988 128 Y HN 0.104 nan 8.280 nan 0.000 0.518 129 Y N -0.438 119.932 120.300 0.116 0.000 2.395 129 Y HA 0.024 4.579 4.550 0.009 0.000 0.293 129 Y C 2.554 178.465 175.900 0.018 0.000 1.123 129 Y CA 0.745 58.864 58.100 0.033 0.000 1.227 129 Y CB -0.924 37.607 38.460 0.118 0.000 1.012 129 Y HN 0.232 nan 8.280 nan 0.000 0.552 130 A N 0.177 123.114 122.820 0.195 0.000 1.883 130 A HA -0.183 4.145 4.320 0.014 0.000 0.217 130 A C 2.605 180.215 177.584 0.043 0.000 1.186 130 A CA 1.984 54.105 52.037 0.141 0.000 0.624 130 A CB -1.490 17.610 19.000 0.166 0.000 0.822 130 A HN 0.456 nan 8.150 nan 0.000 0.444 131 G N -0.875 107.911 108.800 -0.023 0.000 2.432 131 G HA2 -0.066 3.902 3.960 0.014 0.000 0.219 131 G HA3 -0.066 3.902 3.960 0.014 0.000 0.219 131 G C 1.338 176.158 174.900 -0.133 0.000 1.135 131 G CA 1.169 46.217 45.100 -0.087 0.000 0.767 131 G HN 0.367 nan 8.290 nan 0.000 0.550 132 L N 0.933 122.048 121.223 -0.180 0.000 2.179 132 L HA 0.290 4.638 4.340 0.014 0.000 0.208 132 L C 3.155 180.006 176.870 -0.030 0.000 1.096 132 L CA 1.175 55.934 54.840 -0.134 0.000 0.779 132 L CB -0.664 41.306 42.059 -0.147 0.000 0.922 132 L HN 0.247 nan 8.230 nan 0.000 0.443 133 A N 0.722 123.547 122.820 0.008 0.000 1.903 133 A HA -0.165 4.163 4.320 0.014 0.000 0.219 133 A C -0.278 177.293 177.584 -0.022 0.000 1.191 133 A CA 2.064 54.105 52.037 0.007 0.000 0.638 133 A CB -1.976 17.032 19.000 0.013 0.000 0.823 133 A HN 0.347 nan 8.150 nan 0.000 0.451 134 P HA 0.038 nan 4.420 nan 0.000 0.242 134 P C 0.946 178.229 177.300 -0.029 0.000 1.197 134 P CA 1.114 64.194 63.100 -0.034 0.000 0.765 134 P CB 0.095 31.777 31.700 -0.031 0.000 0.936 135 T N -1.011 113.527 114.554 -0.026 0.000 3.037 135 T HA 0.127 4.486 4.350 0.014 0.000 0.252 135 T C 0.525 175.219 174.700 -0.009 0.000 1.073 135 T CA -0.140 61.947 62.100 -0.022 0.000 1.091 135 T CB -0.298 68.548 68.868 -0.037 0.000 0.935 135 T HN -0.130 nan 8.240 nan 0.000 0.488 136 L N 3.623 124.845 121.223 -0.002 0.000 2.578 136 L HA 0.193 4.541 4.340 0.014 0.000 0.279 136 L C 0.614 177.490 176.870 0.011 0.000 1.227 136 L CA 0.540 55.387 54.840 0.011 0.000 0.900 136 L CB -0.455 41.612 42.059 0.014 0.000 1.144 136 L HN 0.319 nan 8.230 nan 0.000 0.496 137 S N 0.892 116.605 115.700 0.021 0.000 2.595 137 S HA 0.841 5.319 4.470 0.014 0.000 0.270 137 S C -0.307 174.319 174.600 0.043 0.000 1.145 137 S CA -0.463 57.755 58.200 0.029 0.000 0.825 137 S CB 1.025 64.239 63.200 0.022 0.000 1.107 137 S HN 0.755 nan 8.310 nan 0.000 0.461 138 G N -0.198 108.641 108.800 0.064 0.000 2.736 138 G HA2 0.653 4.621 3.960 0.014 0.000 0.229 138 G HA3 0.653 4.621 3.960 0.014 0.000 0.229 138 G C -0.949 174.006 174.900 0.093 0.000 1.380 138 G CA -0.752 44.397 45.100 0.081 0.000 1.040 138 G HN 0.775 nan 8.290 nan 0.000 0.568 139 Q N -1.371 118.500 119.800 0.118 0.000 2.378 139 Q HA 0.385 4.733 4.340 0.014 0.000 0.276 139 Q C -1.250 174.885 176.000 0.225 0.000 1.083 139 Q CA -0.784 55.099 55.803 0.133 0.000 0.856 139 Q CB 2.441 31.233 28.738 0.090 0.000 1.383 139 Q HN 0.611 nan 8.270 nan 0.000 0.458 140 H N 0.918 120.055 119.070 0.112 0.000 2.658 140 H HA 0.504 5.065 4.556 0.008 0.000 0.337 140 H C -1.658 173.743 175.328 0.122 0.000 1.009 140 H CA -0.478 55.663 56.048 0.154 0.000 1.231 140 H CB 0.596 30.413 29.762 0.092 0.000 1.508 140 H HN 0.546 nan 8.280 nan 0.000 0.517 141 I N 4.496 124.933 120.570 -0.223 0.000 2.498 141 I HA 0.142 4.320 4.170 0.014 0.000 0.290 141 I C -0.330 175.697 176.117 -0.149 0.000 1.032 141 I CA -0.658 60.574 61.300 -0.113 0.000 1.073 141 I CB 2.458 40.439 38.000 -0.031 0.000 1.251 141 I HN 0.465 nan 8.210 nan 0.000 0.426 142 Q N 5.724 125.493 119.800 -0.051 0.000 2.288 142 Q HA 0.563 4.911 4.340 0.014 0.000 0.258 142 Q C -1.016 174.998 176.000 0.024 0.000 0.957 142 Q CA -0.192 55.618 55.803 0.010 0.000 0.919 142 Q CB 1.570 30.335 28.738 0.046 0.000 1.185 142 Q HN 0.479 nan 8.270 nan 0.000 0.408 143 L N 3.221 124.470 121.223 0.044 0.000 2.304 143 L HA 0.574 4.922 4.340 0.014 0.000 0.268 143 L C -2.126 174.759 176.870 0.026 0.000 1.010 143 L CA -2.618 52.235 54.840 0.022 0.000 0.813 143 L CB 0.958 43.021 42.059 0.007 0.000 1.315 143 L HN 0.428 nan 8.230 nan 0.000 0.445 144 P HA 0.111 nan 4.420 nan 0.000 0.264 144 P C 0.383 177.692 177.300 0.015 0.000 1.193 144 P CA 0.412 63.519 63.100 0.011 0.000 0.763 144 P CB 0.461 32.162 31.700 0.002 0.000 0.810 145 G N 2.504 111.315 108.800 0.019 0.000 2.182 145 G HA2 -0.004 3.964 3.960 0.014 0.000 0.248 145 G HA3 -0.004 3.964 3.960 0.014 0.000 0.248 145 G C 0.863 175.784 174.900 0.035 0.000 1.042 145 G CA 0.308 45.420 45.100 0.020 0.000 0.775 145 G HN 1.045 nan 8.290 nan 0.000 0.501 146 G N -1.556 107.274 108.800 0.050 0.000 2.234 146 G HA2 0.117 4.085 3.960 0.014 0.000 0.260 146 G HA3 0.117 4.085 3.960 0.014 0.000 0.260 146 G C 1.187 176.163 174.900 0.127 0.000 0.987 146 G CA 1.347 46.495 45.100 0.080 0.000 0.625 146 G HN 2.365 nan 8.290 nan 0.000 0.532 147 A N -0.132 122.744 122.820 0.092 0.000 2.366 147 A HA 0.784 5.112 4.320 0.014 0.000 0.250 147 A C -0.000 177.688 177.584 0.174 0.000 1.099 147 A CA 0.919 53.006 52.037 0.084 0.000 0.794 147 A CB 0.193 19.193 19.000 -0.000 0.000 1.056 147 A HN 1.833 nan 8.150 nan 0.000 0.499 148 F N -2.605 117.333 119.950 -0.020 0.000 2.654 148 F HA 0.789 5.322 4.527 0.010 0.000 0.308 148 F C -0.338 175.417 175.800 -0.075 0.000 1.108 148 F CA -0.684 57.270 58.000 -0.078 0.000 0.957 148 F CB 1.096 40.038 39.000 -0.096 0.000 1.309 148 F HN 0.804 nan 8.300 nan 0.000 0.446 149 A N 1.686 124.484 122.820 -0.037 0.000 2.386 149 A HA 0.921 5.249 4.320 0.014 0.000 0.308 149 A C -1.981 175.651 177.584 0.080 0.000 1.128 149 A CA -0.795 51.169 52.037 -0.121 0.000 0.789 149 A CB 1.369 20.292 19.000 -0.128 0.000 1.325 149 A HN 1.362 nan 8.150 nan 0.000 0.437 150 Y N -1.488 118.818 120.300 0.009 0.000 2.534 150 Y HA 0.743 5.298 4.550 0.008 0.000 0.345 150 Y C -0.200 175.725 175.900 0.042 0.000 1.031 150 Y CA -0.682 57.471 58.100 0.088 0.000 1.022 150 Y CB 1.173 39.754 38.460 0.202 0.000 1.292 150 Y HN 0.723 nan 8.280 nan 0.000 0.459 151 T N 0.335 115.002 114.554 0.189 0.000 2.823 151 T HA 0.670 5.028 4.350 0.014 0.000 0.279 151 T C -0.639 174.175 174.700 0.190 0.000 0.998 151 T CA -1.093 61.063 62.100 0.094 0.000 0.994 151 T CB 1.346 70.241 68.868 0.046 0.000 0.960 151 T HN 0.805 nan 8.240 nan 0.000 0.448 152 R N 1.598 122.190 120.500 0.153 0.000 2.312 152 R HA 0.427 4.775 4.340 0.014 0.000 0.311 152 R C 0.112 176.461 176.300 0.081 0.000 1.004 152 R CA -0.847 55.341 56.100 0.147 0.000 0.902 152 R CB 1.460 31.851 30.300 0.151 0.000 1.073 152 R HN 0.602 nan 8.270 nan 0.000 0.457 153 R N 2.950 123.491 120.500 0.068 0.000 2.248 153 R HA 0.077 4.425 4.340 0.014 0.000 0.337 153 R C -0.679 175.650 176.300 0.047 0.000 1.106 153 R CA 0.052 56.181 56.100 0.049 0.000 0.959 153 R CB 0.458 30.783 30.300 0.042 0.000 1.075 153 R HN 0.616 nan 8.270 nan 0.000 0.480 154 E N 4.987 125.217 120.200 0.050 0.000 2.222 154 E HA 0.380 4.738 4.350 0.014 0.000 0.267 154 E C -2.330 174.314 176.600 0.074 0.000 0.963 154 E CA -2.400 54.036 56.400 0.061 0.000 0.837 154 E CB 1.685 31.424 29.700 0.064 0.000 1.183 154 E HN 0.463 nan 8.360 nan 0.000 0.403 155 P HA -0.000 nan 4.420 nan 0.000 0.273 155 P C 0.107 177.471 177.300 0.106 0.000 1.250 155 P CA -0.278 62.916 63.100 0.157 0.000 0.793 155 P CB 0.741 32.630 31.700 0.315 0.000 1.011 156 L N -0.478 120.766 121.223 0.034 0.000 2.189 156 L HA 0.342 4.690 4.340 0.014 0.000 0.199 156 L C 1.702 178.465 176.870 -0.178 0.000 1.074 156 L CA 2.083 56.867 54.840 -0.093 0.000 0.783 156 L CB -1.654 40.302 42.059 -0.172 0.000 0.955 156 L HN 0.795 nan 8.230 nan 0.000 0.460 157 G N -1.590 106.996 108.800 -0.357 0.000 2.350 157 G HA2 -0.009 3.959 3.960 0.014 0.000 0.085 157 G HA3 -0.009 3.959 3.960 0.014 0.000 0.085 157 G C -1.294 173.249 174.900 -0.595 0.000 1.159 157 G CA -0.230 44.349 45.100 -0.869 0.000 1.146 157 G HN -0.167 nan 8.290 nan 0.000 0.449 158 V N 1.219 120.918 119.914 -0.358 0.000 2.385 158 V HA 0.447 4.576 4.120 0.014 0.000 0.269 158 V C 0.254 176.302 176.094 -0.076 0.000 1.043 158 V CA -0.405 61.791 62.300 -0.175 0.000 0.906 158 V CB 0.421 32.160 31.823 -0.139 0.000 0.995 158 V HN 0.771 nan 8.190 nan 0.000 0.467 159 C N 4.987 124.283 119.300 -0.007 0.000 2.350 159 C HA 0.807 5.275 4.460 0.014 0.000 0.348 159 C C 0.785 175.828 174.990 0.088 0.000 1.260 159 C CA -0.753 58.306 59.018 0.070 0.000 1.966 159 C CB 0.534 28.386 27.740 0.187 0.000 2.380 159 C HN 0.951 nan 8.230 nan 0.000 0.535 160 A N 2.340 125.217 122.820 0.095 0.000 2.304 160 A HA 0.788 5.116 4.320 0.014 0.000 0.323 160 A C 0.132 177.811 177.584 0.157 0.000 1.195 160 A CA -0.193 51.910 52.037 0.111 0.000 0.826 160 A CB 0.604 19.650 19.000 0.076 0.000 1.184 160 A HN 1.145 nan 8.150 nan 0.000 0.496 161 G N 1.074 109.993 108.800 0.198 0.000 2.470 161 G HA2 0.574 4.542 3.960 0.014 0.000 0.320 161 G HA3 0.574 4.542 3.960 0.014 0.000 0.320 161 G C -0.887 174.131 174.900 0.195 0.000 1.245 161 G CA -0.410 44.804 45.100 0.189 0.000 0.935 161 G HN 0.634 nan 8.290 nan 0.000 0.476 162 I N 2.767 123.431 120.570 0.158 0.000 2.382 162 I HA 0.324 4.502 4.170 0.014 0.000 0.285 162 I C -0.058 176.050 176.117 -0.015 0.000 1.007 162 I CA -0.393 60.995 61.300 0.147 0.000 1.142 162 I CB 1.418 39.586 38.000 0.280 0.000 1.289 162 I HN 0.144 nan 8.210 nan 0.000 0.453 163 L N 5.010 126.241 121.223 0.013 0.000 2.365 163 L HA 0.870 5.218 4.340 0.014 0.000 0.267 163 L C 0.355 177.175 176.870 -0.085 0.000 1.033 163 L CA -0.805 54.000 54.840 -0.059 0.000 0.802 163 L CB 1.346 43.408 42.059 0.006 0.000 1.267 163 L HN 0.572 nan 8.230 nan 0.000 0.457 164 A N 0.124 122.863 122.820 -0.135 0.000 2.282 164 A HA 0.463 4.791 4.320 0.014 0.000 0.324 164 A C 0.107 177.654 177.584 -0.063 0.000 1.119 164 A CA -0.670 51.250 52.037 -0.195 0.000 0.880 164 A CB 0.755 19.526 19.000 -0.381 0.000 1.294 164 A HN 0.956 nan 8.150 nan 0.000 0.493 165 W N 0.405 121.745 121.300 0.067 0.000 3.220 165 W HA 0.068 4.737 4.660 0.016 0.000 0.328 165 W C 0.657 177.218 176.519 0.071 0.000 1.205 165 W CA 0.518 57.908 57.345 0.074 0.000 1.773 165 W CB -0.444 29.064 29.460 0.080 0.000 1.086 165 W HN 0.834 nan 8.180 nan 0.000 0.622 166 N N 1.323 119.912 118.700 -0.186 0.000 2.354 166 N HA -0.178 4.571 4.740 0.014 0.000 0.179 166 N C -0.268 175.144 175.510 -0.163 0.000 1.021 166 N CA 0.824 53.818 53.050 -0.095 0.000 0.887 166 N CB -0.995 37.319 38.487 -0.289 0.000 0.974 166 N HN 0.167 nan 8.380 nan 0.000 0.437 167 Y N -0.348 119.897 120.300 -0.091 0.000 2.477 167 Y HA 0.415 4.974 4.550 0.016 0.000 0.340 167 Y C -1.842 174.000 175.900 -0.097 0.000 0.987 167 Y CA -1.982 56.047 58.100 -0.119 0.000 1.127 167 Y CB 1.719 40.024 38.460 -0.258 0.000 1.139 167 Y HN -0.040 nan 8.280 nan 0.000 0.637 168 P HA -0.249 nan 4.420 nan 0.000 0.214 168 P C 1.717 179.065 177.300 0.081 0.000 1.163 168 P CA 1.621 64.780 63.100 0.098 0.000 0.889 168 P CB 0.164 31.954 31.700 0.151 0.000 0.790 169 F N -1.066 118.874 119.950 -0.017 0.000 2.163 169 F HA -0.032 4.503 4.527 0.014 0.000 0.297 169 F C 2.478 178.227 175.800 -0.085 0.000 1.094 169 F CA 1.213 59.197 58.000 -0.026 0.000 1.290 169 F CB -0.579 38.423 39.000 0.003 0.000 1.017 169 F HN -0.257 nan 8.300 nan 0.000 0.483 170 M N -0.018 119.594 119.600 0.020 0.000 2.080 170 M HA -0.225 4.263 4.480 0.014 0.000 0.260 170 M C 2.293 178.279 176.300 -0.524 0.000 1.068 170 M CA 1.838 56.984 55.300 -0.256 0.000 1.109 170 M CB -0.508 31.890 32.600 -0.336 0.000 1.342 170 M HN 0.359 nan 8.290 nan 0.000 0.405 171 I N 0.232 120.552 120.570 -0.416 0.000 2.315 171 I HA -0.205 3.973 4.170 0.014 0.000 0.248 171 I C 2.265 178.233 176.117 -0.248 0.000 1.117 171 I CA 1.458 62.562 61.300 -0.326 0.000 1.404 171 I CB -0.439 37.434 38.000 -0.211 0.000 1.071 171 I HN 0.378 nan 8.210 nan 0.000 0.419 172 A N 0.964 123.569 122.820 -0.358 0.000 1.908 172 A HA -0.191 4.137 4.320 0.014 0.000 0.218 172 A C 2.496 179.820 177.584 -0.433 0.000 1.181 172 A CA 1.879 53.548 52.037 -0.614 0.000 0.627 172 A CB -0.875 17.613 19.000 -0.853 0.000 0.818 172 A HN 0.555 nan 8.150 nan 0.000 0.445 173 A N -1.326 121.310 122.820 -0.307 0.000 1.873 173 A HA -0.122 4.206 4.320 0.014 0.000 0.215 173 A C 1.898 179.583 177.584 0.169 0.000 1.186 173 A CA 1.499 53.496 52.037 -0.067 0.000 0.616 173 A CB -0.926 18.045 19.000 -0.048 0.000 0.823 173 A HN 0.699 nan 8.150 nan 0.000 0.442 174 W N 0.509 121.761 121.300 -0.081 0.000 2.341 174 W HA -0.103 4.571 4.660 0.022 0.000 0.283 174 W C 2.092 178.562 176.519 -0.081 0.000 1.215 174 W CA 1.440 58.766 57.345 -0.033 0.000 1.211 174 W CB -0.366 29.086 29.460 -0.012 0.000 1.131 174 W HN 0.392 nan 8.180 nan 0.000 0.552 175 K N -1.656 118.795 120.400 0.085 0.000 2.242 175 K HA -0.006 4.322 4.320 0.014 0.000 0.200 175 K C 1.969 178.465 176.600 -0.173 0.000 1.050 175 K CA 1.026 57.304 56.287 -0.016 0.000 0.981 175 K CB -0.499 32.018 32.500 0.029 0.000 0.795 175 K HN 0.004 nan 8.250 nan 0.000 0.477 176 C N 1.119 120.337 119.300 -0.137 0.000 2.440 176 C HA -0.018 4.450 4.460 0.014 0.000 0.278 176 C C 2.871 177.748 174.990 -0.188 0.000 1.295 176 C CA 0.921 59.847 59.018 -0.155 0.000 1.738 176 C CB -0.686 27.023 27.740 -0.050 0.000 1.987 176 C HN 0.528 nan 8.230 nan 0.000 0.492 177 A N 2.133 124.905 122.820 -0.080 0.000 1.845 177 A HA -0.084 4.244 4.320 0.014 0.000 0.215 177 A C 0.425 177.841 177.584 -0.281 0.000 1.195 177 A CA 2.043 54.078 52.037 -0.004 0.000 0.616 177 A CB -1.925 17.227 19.000 0.252 0.000 0.832 177 A HN 0.486 nan 8.150 nan 0.000 0.443 178 P HA -0.113 nan 4.420 nan 0.000 0.218 178 P C 1.560 178.452 177.300 -0.681 0.000 1.149 178 P CA 1.955 64.482 63.100 -0.956 0.000 0.817 178 P CB -0.174 30.892 31.700 -1.056 0.000 0.785 179 A N -0.281 122.015 122.820 -0.873 0.000 1.873 179 A HA -0.141 4.187 4.320 0.014 0.000 0.215 179 A C 2.237 179.754 177.584 -0.113 0.000 1.186 179 A CA 1.432 53.144 52.037 -0.541 0.000 0.616 179 A CB -1.573 17.167 19.000 -0.433 0.000 0.823 179 A HN 0.083 nan 8.150 nan 0.000 0.442 180 L N -0.390 120.775 121.223 -0.097 0.000 2.056 180 L HA -0.061 4.287 4.340 0.014 0.000 0.207 180 L C 2.994 180.077 176.870 0.356 0.000 1.078 180 L CA 1.814 56.747 54.840 0.156 0.000 0.749 180 L CB -0.904 41.103 42.059 -0.085 0.000 0.901 180 L HN 0.390 nan 8.230 nan 0.000 0.433 181 A N -1.565 121.356 122.820 0.168 0.000 1.917 181 A HA -0.281 4.047 4.320 0.014 0.000 0.219 181 A C 2.258 179.894 177.584 0.087 0.000 1.182 181 A CA 2.090 54.215 52.037 0.148 0.000 0.633 181 A CB -1.378 17.719 19.000 0.162 0.000 0.819 181 A HN 0.557 nan 8.150 nan 0.000 0.448 182 C N -1.304 118.046 119.300 0.082 0.000 2.539 182 C HA 0.418 4.886 4.460 0.014 0.000 0.271 182 C C 1.954 177.008 174.990 0.107 0.000 1.412 182 C CA 0.410 59.480 59.018 0.087 0.000 1.729 182 C CB -1.273 26.538 27.740 0.118 0.000 1.739 182 C HN 1.135 nan 8.230 nan 0.000 0.570 183 G N 1.004 109.899 108.800 0.160 0.000 2.159 183 G HA2 -0.189 3.779 3.960 0.014 0.000 0.227 183 G HA3 -0.189 3.779 3.960 0.014 0.000 0.227 183 G C -0.140 175.052 174.900 0.488 0.000 0.986 183 G CA -0.251 44.946 45.100 0.162 0.000 0.651 183 G HN 0.517 nan 8.290 nan 0.000 0.523 184 N N 0.451 119.403 118.700 0.420 0.000 2.434 184 N HA 0.647 5.395 4.740 0.014 0.000 0.266 184 N C 0.417 176.101 175.510 0.291 0.000 1.223 184 N CA 0.468 53.725 53.050 0.346 0.000 0.972 184 N CB 1.309 39.895 38.487 0.164 0.000 1.207 184 N HN 0.621 nan 8.380 nan 0.000 0.525 185 A N 0.181 123.098 122.820 0.162 0.000 2.311 185 A HA 0.684 5.012 4.320 0.014 0.000 0.334 185 A C -0.559 177.020 177.584 -0.007 0.000 1.139 185 A CA -0.517 51.540 52.037 0.034 0.000 0.830 185 A CB 0.969 20.017 19.000 0.081 0.000 1.234 185 A HN 0.353 nan 8.150 nan 0.000 0.483 186 V N 0.781 120.684 119.914 -0.017 0.000 2.760 186 V HA 0.493 4.622 4.120 0.014 0.000 0.309 186 V C -0.907 175.232 176.094 0.074 0.000 1.077 186 V CA -0.472 61.855 62.300 0.045 0.000 0.910 186 V CB 1.963 33.829 31.823 0.072 0.000 1.008 186 V HN 0.676 nan 8.190 nan 0.000 0.424 187 V N 5.634 125.597 119.914 0.082 0.000 2.407 187 V HA 0.604 4.732 4.120 0.014 0.000 0.291 187 V C -0.614 175.565 176.094 0.142 0.000 1.018 187 V CA -0.495 61.832 62.300 0.045 0.000 0.842 187 V CB 1.168 32.975 31.823 -0.027 0.000 0.996 187 V HN 0.772 nan 8.190 nan 0.000 0.426 188 F N 2.144 122.140 119.950 0.076 0.000 2.579 188 F HA 0.807 5.342 4.527 0.014 0.000 0.324 188 F C -0.462 175.393 175.800 0.093 0.000 1.058 188 F CA -1.424 56.622 58.000 0.076 0.000 0.944 188 F CB 1.925 40.965 39.000 0.066 0.000 1.245 188 F HN 0.319 nan 8.300 nan 0.000 0.477 189 K N 3.230 123.825 120.400 0.325 0.000 2.572 189 K HA 0.487 4.815 4.320 0.014 0.000 0.244 189 K C -2.988 173.776 176.600 0.274 0.000 0.965 189 K CA -1.999 54.421 56.287 0.222 0.000 0.943 189 K CB 1.442 34.041 32.500 0.166 0.000 1.154 189 K HN 0.369 nan 8.250 nan 0.000 0.447 190 P HA -0.076 nan 4.420 nan 0.000 0.269 190 P C -0.491 176.929 177.300 0.199 0.000 1.217 190 P CA -0.204 63.052 63.100 0.260 0.000 0.783 190 P CB 0.719 32.574 31.700 0.259 0.000 0.898 191 S N 2.483 118.302 115.700 0.199 0.000 2.558 191 S HA 0.039 4.517 4.470 0.014 0.000 0.291 191 S C -1.208 173.506 174.600 0.190 0.000 1.306 191 S CA -0.819 57.516 58.200 0.225 0.000 1.056 191 S CB -0.434 62.974 63.200 0.347 0.000 0.836 191 S HN 0.322 nan 8.310 nan 0.000 0.504 192 P HA -0.045 nan 4.420 nan 0.000 0.230 192 P C 1.092 178.452 177.300 0.101 0.000 1.158 192 P CA 1.048 64.219 63.100 0.119 0.000 0.769 192 P CB 0.030 31.791 31.700 0.103 0.000 0.807 193 M N -0.557 119.110 119.600 0.111 0.000 2.447 193 M HA 0.018 4.506 4.480 0.014 0.000 0.264 193 M C 0.546 176.911 176.300 0.108 0.000 1.095 193 M CA 1.391 56.739 55.300 0.081 0.000 1.125 193 M CB -0.330 32.255 32.600 -0.025 0.000 1.389 193 M HN -0.021 nan 8.290 nan 0.000 0.459 194 T N -2.415 112.232 114.554 0.154 0.000 3.504 194 T HA 0.324 4.682 4.350 0.014 0.000 0.286 194 T C -2.378 172.415 174.700 0.154 0.000 1.530 194 T CA -1.248 60.947 62.100 0.158 0.000 1.652 194 T CB 0.513 69.506 68.868 0.209 0.000 0.895 194 T HN 0.017 nan 8.240 nan 0.000 0.674 195 P HA 0.113 nan 4.420 nan 0.000 0.245 195 P C 1.493 178.864 177.300 0.118 0.000 1.203 195 P CA 0.077 63.251 63.100 0.124 0.000 0.792 195 P CB 0.394 32.148 31.700 0.091 0.000 0.997 196 V N -0.049 119.928 119.914 0.104 0.000 2.685 196 V HA -0.050 4.078 4.120 0.014 0.000 0.244 196 V C 2.228 178.390 176.094 0.114 0.000 1.054 196 V CA 2.323 64.674 62.300 0.085 0.000 1.076 196 V CB -1.535 30.319 31.823 0.051 0.000 0.725 196 V HN 0.158 nan 8.190 nan 0.000 0.467 197 T N -2.177 112.470 114.554 0.154 0.000 2.995 197 T HA 0.088 4.446 4.350 0.014 0.000 0.269 197 T C 2.042 176.941 174.700 0.331 0.000 1.091 197 T CA 1.172 63.406 62.100 0.223 0.000 1.128 197 T CB -0.809 68.204 68.868 0.241 0.000 0.891 197 T HN 0.642 nan 8.240 nan 0.000 0.492 198 G N 1.389 110.365 108.800 0.293 0.000 2.442 198 G HA2 -0.186 3.782 3.960 0.014 0.000 0.219 198 G HA3 -0.186 3.782 3.960 0.014 0.000 0.219 198 G C 1.626 176.711 174.900 0.308 0.000 1.141 198 G CA 0.992 46.317 45.100 0.376 0.000 0.763 198 G HN 0.569 nan 8.290 nan 0.000 0.554 199 V N 0.868 120.859 119.914 0.129 0.000 2.970 199 V HA -0.005 4.123 4.120 0.014 0.000 0.260 199 V C 2.451 178.491 176.094 -0.090 0.000 1.100 199 V CA 0.782 63.040 62.300 -0.070 0.000 1.122 199 V CB -0.348 31.395 31.823 -0.132 0.000 0.721 199 V HN 0.269 nan 8.190 nan 0.000 0.483 200 I N -0.096 120.509 120.570 0.059 0.000 2.179 200 I HA -0.161 4.017 4.170 0.014 0.000 0.242 200 I C 2.461 178.666 176.117 0.147 0.000 1.088 200 I CA 1.717 63.071 61.300 0.089 0.000 1.357 200 I CB -1.348 36.736 38.000 0.140 0.000 1.051 200 I HN 0.424 nan 8.210 nan 0.000 0.409 201 L N 1.655 123.036 121.223 0.263 0.000 2.013 201 L HA -0.176 4.173 4.340 0.014 0.000 0.212 201 L C 2.586 179.542 176.870 0.143 0.000 1.073 201 L CA 2.348 57.265 54.840 0.127 0.000 0.753 201 L CB -0.918 41.097 42.059 -0.073 0.000 0.890 201 L HN 0.210 nan 8.230 nan 0.000 0.432 202 A N -1.121 121.806 122.820 0.179 0.000 1.933 202 A HA -0.207 4.121 4.320 0.014 0.000 0.218 202 A C 2.150 179.801 177.584 0.112 0.000 1.175 202 A CA 1.675 53.829 52.037 0.195 0.000 0.628 202 A CB -0.592 18.397 19.000 -0.020 0.000 0.814 202 A HN 0.625 nan 8.150 nan 0.000 0.444 203 E N -0.333 119.772 120.200 -0.158 0.000 2.077 203 E HA -0.146 4.212 4.350 0.014 0.000 0.193 203 E C 1.816 178.487 176.600 0.119 0.000 0.989 203 E CA 1.202 57.587 56.400 -0.025 0.000 0.800 203 E CB -0.281 29.360 29.700 -0.099 0.000 0.746 203 E HN 0.700 nan 8.360 nan 0.000 0.452 204 I N 0.327 120.930 120.570 0.055 0.000 2.286 204 I HA -0.248 3.930 4.170 0.014 0.000 0.248 204 I C 1.861 177.975 176.117 -0.006 0.000 1.115 204 I CA 0.881 62.181 61.300 -0.000 0.000 1.392 204 I CB -0.149 37.812 38.000 -0.065 0.000 1.065 204 I HN 0.043 nan 8.210 nan 0.000 0.418 205 F N 0.302 120.310 119.950 0.097 0.000 2.171 205 F HA -0.233 4.301 4.527 0.013 0.000 0.300 205 F C 2.653 178.434 175.800 -0.031 0.000 1.090 205 F CA 1.482 59.490 58.000 0.013 0.000 1.293 205 F CB -0.803 38.163 39.000 -0.057 0.000 1.013 205 F HN 0.157 nan 8.300 nan 0.000 0.486 206 H N -0.437 118.766 119.070 0.221 0.000 2.357 206 H HA -0.114 4.451 4.556 0.014 0.000 0.301 206 H C 2.124 177.522 175.328 0.118 0.000 1.082 206 H CA 1.564 57.708 56.048 0.161 0.000 1.342 206 H CB -0.233 29.645 29.762 0.194 0.000 1.389 206 H HN 0.387 nan 8.280 nan 0.000 0.511 207 E N 0.470 120.797 120.200 0.212 0.000 2.110 207 E HA -0.117 4.241 4.350 0.014 0.000 0.193 207 E C 2.290 178.951 176.600 0.102 0.000 0.988 207 E CA 0.730 57.206 56.400 0.127 0.000 0.804 207 E CB 0.046 29.795 29.700 0.082 0.000 0.745 207 E HN 0.377 nan 8.360 nan 0.000 0.458 208 A N -0.185 122.697 122.820 0.103 0.000 2.119 208 A HA 0.073 4.401 4.320 0.014 0.000 0.217 208 A C 1.698 179.353 177.584 0.118 0.000 1.153 208 A CA 1.288 53.388 52.037 0.103 0.000 0.692 208 A CB -0.074 18.998 19.000 0.120 0.000 0.799 208 A HN 0.387 nan 8.150 nan 0.000 0.458 209 G N -2.209 106.656 108.800 0.108 0.000 2.151 209 G HA2 -0.082 3.886 3.960 0.014 0.000 0.140 209 G HA3 -0.082 3.886 3.960 0.014 0.000 0.140 209 G C 0.091 175.038 174.900 0.079 0.000 1.020 209 G CA -0.068 45.093 45.100 0.103 0.000 0.688 209 G HN 0.632 nan 8.290 nan 0.000 0.500 210 V N 1.829 121.726 119.914 -0.028 0.000 2.740 210 V HA 0.351 4.479 4.120 0.014 0.000 0.303 210 V C -1.256 174.745 176.094 -0.156 0.000 1.054 210 V CA -0.777 61.390 62.300 -0.222 0.000 1.106 210 V CB 1.101 32.654 31.823 -0.448 0.000 0.957 210 V HN 0.187 nan 8.190 nan 0.000 0.486 211 P HA -0.007 nan 4.420 nan 0.000 0.260 211 P C -0.474 176.809 177.300 -0.029 0.000 1.172 211 P CA 0.078 63.183 63.100 0.008 0.000 0.760 211 P CB 0.092 31.841 31.700 0.082 0.000 0.773 212 V N 3.840 123.802 119.914 0.080 0.000 2.625 212 V HA 0.097 4.225 4.120 0.014 0.000 0.305 212 V C 1.731 177.943 176.094 0.197 0.000 1.055 212 V CA 1.930 64.355 62.300 0.209 0.000 1.209 212 V CB -0.771 31.149 31.823 0.162 0.000 0.877 212 V HN 1.060 nan 8.190 nan 0.000 0.489 213 G N 3.567 112.602 108.800 0.393 0.000 2.157 213 G HA2 -0.248 3.720 3.960 0.014 0.000 0.248 213 G HA3 -0.248 3.720 3.960 0.014 0.000 0.248 213 G C 0.425 175.404 174.900 0.131 0.000 0.979 213 G CA 0.298 45.536 45.100 0.230 0.000 0.650 213 G HN 0.753 nan 8.290 nan 0.000 0.529 214 L N 0.192 121.409 121.223 -0.011 0.000 2.056 214 L HA 0.317 4.665 4.340 0.014 0.000 0.207 214 L C 1.291 178.102 176.870 -0.098 0.000 1.078 214 L CA 1.890 56.633 54.840 -0.162 0.000 0.749 214 L CB 0.148 41.921 42.059 -0.477 0.000 0.901 214 L HN 0.242 nan 8.230 nan 0.000 0.433 215 V N 1.696 121.623 119.914 0.022 0.000 2.378 215 V HA 0.386 4.514 4.120 0.014 0.000 0.288 215 V C -0.584 175.683 176.094 0.287 0.000 1.016 215 V CA -0.853 61.521 62.300 0.124 0.000 0.840 215 V CB 1.148 33.049 31.823 0.130 0.000 0.994 215 V HN 0.258 nan 8.190 nan 0.000 0.431 216 N N 3.067 121.862 118.700 0.159 0.000 2.292 216 N HA 0.734 5.482 4.740 0.014 0.000 0.303 216 N C -1.370 174.076 175.510 -0.105 0.000 1.140 216 N CA -0.521 52.629 53.050 0.165 0.000 0.788 216 N CB 3.005 41.579 38.487 0.146 0.000 1.361 216 N HN 0.346 nan 8.380 nan 0.000 0.489 217 V N 1.136 121.056 119.914 0.011 0.000 2.483 217 V HA 0.386 4.514 4.120 0.014 0.000 0.297 217 V C -0.149 175.994 176.094 0.083 0.000 1.027 217 V CA -0.880 61.283 62.300 -0.228 0.000 0.855 217 V CB 1.628 33.271 31.823 -0.300 0.000 0.995 217 V HN 0.520 nan 8.190 nan 0.000 0.424 218 V N 2.023 121.964 119.914 0.045 0.000 2.487 218 V HA 0.688 4.816 4.120 0.014 0.000 0.298 218 V C -0.481 175.681 176.094 0.112 0.000 1.028 218 V CA -0.594 61.794 62.300 0.147 0.000 0.860 218 V CB 1.733 33.601 31.823 0.077 0.000 0.991 218 V HN 0.759 nan 8.190 nan 0.000 0.427 219 Q N 2.500 122.382 119.800 0.136 0.000 2.221 219 Q HA 0.896 5.244 4.340 0.014 0.000 0.242 219 Q C 0.380 176.446 176.000 0.110 0.000 0.940 219 Q CA 0.322 56.195 55.803 0.116 0.000 0.896 219 Q CB 1.925 30.725 28.738 0.104 0.000 1.226 219 Q HN 1.500 nan 8.270 nan 0.000 0.463 220 G N -1.032 107.831 108.800 0.105 0.000 2.369 220 G HA2 0.336 4.304 3.960 0.014 0.000 0.293 220 G HA3 0.336 4.304 3.960 0.014 0.000 0.293 220 G C -0.655 174.307 174.900 0.103 0.000 1.301 220 G CA -0.360 44.797 45.100 0.096 0.000 0.913 220 G HN 0.715 nan 8.290 nan 0.000 0.540 221 G N -1.337 107.520 108.800 0.095 0.000 3.019 221 G HA2 0.713 4.681 3.960 0.014 0.000 0.152 221 G HA3 0.713 4.681 3.960 0.014 0.000 0.152 221 G C 1.609 176.570 174.900 0.103 0.000 1.320 221 G CA 1.254 46.416 45.100 0.102 0.000 1.013 221 G HN 1.813 nan 8.290 nan 0.000 0.593 222 A N -0.333 122.544 122.820 0.095 0.000 1.883 222 A HA -0.074 4.254 4.320 0.014 0.000 0.217 222 A C 2.135 179.765 177.584 0.076 0.000 1.186 222 A CA 2.476 54.565 52.037 0.087 0.000 0.624 222 A CB -0.762 18.282 19.000 0.074 0.000 0.822 222 A HN 0.728 nan 8.150 nan 0.000 0.444 223 E N -0.524 119.720 120.200 0.072 0.000 2.118 223 E HA -0.162 4.196 4.350 0.014 0.000 0.195 223 E C 1.823 178.469 176.600 0.076 0.000 0.992 223 E CA 2.015 58.458 56.400 0.072 0.000 0.804 223 E CB -0.487 29.251 29.700 0.063 0.000 0.741 223 E HN 0.480 nan 8.360 nan 0.000 0.458 224 T N -0.378 114.222 114.554 0.077 0.000 2.777 224 T HA -0.048 4.311 4.350 0.014 0.000 0.266 224 T C 1.741 176.488 174.700 0.079 0.000 1.040 224 T CA 1.102 63.248 62.100 0.076 0.000 1.141 224 T CB -0.618 68.299 68.868 0.081 0.000 0.868 224 T HN 0.448 nan 8.240 nan 0.000 0.444 225 G N 1.055 109.908 108.800 0.089 0.000 2.422 225 G HA2 -0.185 3.783 3.960 0.014 0.000 0.218 225 G HA3 -0.185 3.783 3.960 0.014 0.000 0.218 225 G C 1.857 176.785 174.900 0.047 0.000 1.146 225 G CA 1.049 46.204 45.100 0.091 0.000 0.769 225 G HN 0.495 nan 8.290 nan 0.000 0.547 226 S N 0.475 116.200 115.700 0.042 0.000 2.368 226 S HA 0.007 4.485 4.470 0.014 0.000 0.224 226 S C 2.285 176.923 174.600 0.063 0.000 1.029 226 S CA 0.703 58.908 58.200 0.010 0.000 0.988 226 S CB -0.231 63.022 63.200 0.089 0.000 0.838 226 S HN 0.297 nan 8.310 nan 0.000 0.462 227 L N 1.164 122.457 121.223 0.116 0.000 2.079 227 L HA -0.127 4.222 4.340 0.014 0.000 0.210 227 L C 2.220 179.170 176.870 0.133 0.000 1.081 227 L CA 1.037 55.962 54.840 0.143 0.000 0.752 227 L CB -0.585 41.537 42.059 0.105 0.000 0.896 227 L HN 0.281 nan 8.230 nan 0.000 0.433 228 L N -1.434 119.837 121.223 0.080 0.000 2.017 228 L HA -0.260 4.088 4.340 0.014 0.000 0.208 228 L C 2.676 179.578 176.870 0.053 0.000 1.073 228 L CA 1.164 56.044 54.840 0.065 0.000 0.745 228 L CB -0.613 41.476 42.059 0.050 0.000 0.894 228 L HN 0.388 nan 8.230 nan 0.000 0.432 229 C N -1.140 118.143 119.300 -0.028 0.000 2.422 229 C HA -0.162 4.306 4.460 0.014 0.000 0.279 229 C C 2.608 177.522 174.990 -0.127 0.000 1.305 229 C CA 0.452 59.397 59.018 -0.121 0.000 1.757 229 C CB -1.177 26.400 27.740 -0.272 0.000 1.962 229 C HN 0.498 nan 8.230 nan 0.000 0.499 230 H N -1.917 117.184 119.070 0.051 0.000 2.563 230 H HA 0.097 4.661 4.556 0.014 0.000 0.264 230 H C 0.603 175.951 175.328 0.033 0.000 0.957 230 H CA 0.288 56.353 56.048 0.028 0.000 1.173 230 H CB -0.511 29.255 29.762 0.007 0.000 1.420 230 H HN 0.598 nan 8.280 nan 0.000 0.551 231 H N 3.333 122.458 119.070 0.092 0.000 3.004 231 H HA -0.003 4.561 4.556 0.014 0.000 0.316 231 H C -1.245 174.104 175.328 0.035 0.000 1.014 231 H CA -1.296 54.780 56.048 0.047 0.000 1.454 231 H CB 1.272 31.041 29.762 0.013 0.000 1.472 231 H HN 0.047 nan 8.280 nan 0.000 0.571 232 P HA -0.088 nan 4.420 nan 0.000 0.226 232 P C -0.287 177.085 177.300 0.121 0.000 1.153 232 P CA 1.184 64.283 63.100 -0.001 0.000 0.777 232 P CB 0.358 32.001 31.700 -0.094 0.000 0.794 233 N N -1.035 117.876 118.700 0.352 0.000 2.238 233 N HA 0.135 4.883 4.740 0.014 0.000 0.222 233 N C -0.628 174.950 175.510 0.113 0.000 1.133 233 N CA -0.227 52.951 53.050 0.214 0.000 0.854 233 N CB 0.606 39.221 38.487 0.213 0.000 1.041 233 N HN -0.106 nan 8.380 nan 0.000 0.510 234 V N 1.176 121.168 119.914 0.130 0.000 2.407 234 V HA 0.365 4.494 4.120 0.014 0.000 0.278 234 V C 0.959 177.072 176.094 0.030 0.000 1.037 234 V CA -0.274 62.043 62.300 0.028 0.000 0.900 234 V CB 1.218 33.063 31.823 0.036 0.000 0.983 234 V HN 0.264 nan 8.190 nan 0.000 0.459 235 A N 4.892 127.704 122.820 -0.014 0.000 2.021 235 A HA 0.176 4.504 4.320 0.014 0.000 0.216 235 A C 0.933 178.540 177.584 0.039 0.000 1.163 235 A CA 0.797 52.832 52.037 -0.003 0.000 0.676 235 A CB 0.149 19.100 19.000 -0.082 0.000 0.818 235 A HN 0.680 nan 8.150 nan 0.000 0.453 236 K N -0.781 119.639 120.400 0.032 0.000 2.546 236 K HA 0.546 4.875 4.320 0.014 0.000 0.264 236 K C -2.161 174.480 176.600 0.069 0.000 0.937 236 K CA -0.499 55.827 56.287 0.065 0.000 0.833 236 K CB 2.169 34.672 32.500 0.005 0.000 1.378 236 K HN -0.074 nan 8.250 nan 0.000 0.432 237 V N 1.877 121.840 119.914 0.080 0.000 2.495 237 V HA 0.440 4.568 4.120 0.014 0.000 0.298 237 V C -0.643 175.508 176.094 0.096 0.000 1.031 237 V CA -0.713 61.640 62.300 0.089 0.000 0.871 237 V CB 1.621 33.488 31.823 0.074 0.000 0.988 237 V HN 0.779 nan 8.190 nan 0.000 0.432 238 S N 4.886 120.660 115.700 0.124 0.000 2.498 238 S HA 0.706 5.184 4.470 0.014 0.000 0.317 238 S C -1.211 173.489 174.600 0.166 0.000 1.090 238 S CA -0.421 57.850 58.200 0.119 0.000 1.089 238 S CB 0.611 63.891 63.200 0.135 0.000 0.997 238 S HN 0.560 nan 8.310 nan 0.000 0.470 239 F N 3.883 123.823 119.950 -0.018 0.000 2.508 239 F HA 0.707 5.242 4.527 0.013 0.000 0.325 239 F C -0.304 175.478 175.800 -0.031 0.000 1.090 239 F CA -0.152 57.836 58.000 -0.019 0.000 0.945 239 F CB 2.087 41.060 39.000 -0.044 0.000 1.156 239 F HN 0.473 nan 8.300 nan 0.000 0.463 240 T N 4.036 118.077 114.554 -0.855 0.000 2.861 240 T HA 0.809 5.167 4.350 0.014 0.000 0.287 240 T C -0.263 173.773 174.700 -1.106 0.000 1.003 240 T CA -0.183 61.507 62.100 -0.684 0.000 0.977 240 T CB 1.323 70.007 68.868 -0.307 0.000 0.996 240 T HN 1.151 nan 8.240 nan 0.000 0.448 241 G N 1.686 110.092 108.800 -0.657 0.000 2.356 241 G HA2 0.392 4.360 3.960 0.014 0.000 0.266 241 G HA3 0.392 4.360 3.960 0.014 0.000 0.266 241 G C -0.488 174.400 174.900 -0.018 0.000 1.312 241 G CA -0.194 44.676 45.100 -0.384 0.000 0.922 241 G HN 1.029 nan 8.290 nan 0.000 0.480 242 S N -0.822 114.945 115.700 0.112 0.000 2.624 242 S HA 0.501 4.979 4.470 0.014 0.000 0.263 242 S C 1.540 176.248 174.600 0.181 0.000 1.287 242 S CA 0.354 58.620 58.200 0.110 0.000 0.990 242 S CB 1.450 64.695 63.200 0.075 0.000 0.950 242 S HN 1.325 nan 8.310 nan 0.000 0.561 243 V N 2.134 122.132 119.914 0.140 0.000 2.261 243 V HA -0.041 4.087 4.120 0.014 0.000 0.246 243 V C -0.684 175.430 176.094 0.034 0.000 1.047 243 V CA 1.732 64.088 62.300 0.094 0.000 1.015 243 V CB -1.933 29.941 31.823 0.085 0.000 0.642 243 V HN 0.739 nan 8.190 nan 0.000 0.446 244 P HA -0.097 nan 4.420 nan 0.000 0.217 244 P C 1.751 179.034 177.300 -0.029 0.000 1.150 244 P CA 1.653 64.757 63.100 0.006 0.000 0.832 244 P CB -0.213 31.503 31.700 0.027 0.000 0.787 245 T N -1.241 113.309 114.554 -0.008 0.000 2.896 245 T HA -0.015 4.343 4.350 0.014 0.000 0.263 245 T C 2.057 176.502 174.700 -0.424 0.000 1.050 245 T CA 1.469 63.506 62.100 -0.105 0.000 1.140 245 T CB -1.184 67.730 68.868 0.078 0.000 0.877 245 T HN 0.155 nan 8.240 nan 0.000 0.457 246 G N 1.999 110.574 108.800 -0.375 0.000 2.440 246 G HA2 -0.238 3.731 3.960 0.014 0.000 0.218 246 G HA3 -0.238 3.731 3.960 0.014 0.000 0.218 246 G C 1.603 176.308 174.900 -0.325 0.000 1.154 246 G CA 0.737 45.536 45.100 -0.502 0.000 0.767 246 G HN 0.422 nan 8.290 nan 0.000 0.552 247 K N 0.342 120.635 120.400 -0.179 0.000 2.026 247 K HA -0.059 4.269 4.320 0.014 0.000 0.208 247 K C 2.624 179.147 176.600 -0.128 0.000 1.048 247 K CA 1.184 57.403 56.287 -0.114 0.000 0.929 247 K CB -0.125 32.336 32.500 -0.065 0.000 0.713 247 K HN 0.177 nan 8.250 nan 0.000 0.439 248 K N 0.688 120.996 120.400 -0.153 0.000 2.057 248 K HA -0.105 4.223 4.320 0.014 0.000 0.207 248 K C 2.192 178.685 176.600 -0.178 0.000 1.049 248 K CA 1.089 57.295 56.287 -0.135 0.000 0.931 248 K CB -0.366 32.065 32.500 -0.115 0.000 0.714 248 K HN -0.019 nan 8.250 nan 0.000 0.440 249 V N 2.140 121.876 119.914 -0.297 0.000 2.282 249 V HA -0.301 3.827 4.120 0.014 0.000 0.249 249 V C 2.537 178.521 176.094 -0.183 0.000 1.057 249 V CA 1.934 64.051 62.300 -0.304 0.000 1.032 249 V CB -0.429 31.080 31.823 -0.523 0.000 0.645 249 V HN 0.358 nan 8.190 nan 0.000 0.447 250 M N -0.335 119.175 119.600 -0.149 0.000 2.080 250 M HA -0.256 4.232 4.480 0.014 0.000 0.260 250 M C 2.203 178.480 176.300 -0.037 0.000 1.068 250 M CA 2.135 57.406 55.300 -0.049 0.000 1.109 250 M CB -0.225 32.377 32.600 0.004 0.000 1.342 250 M HN 0.354 nan 8.290 nan 0.000 0.405 251 E N -0.138 120.033 120.200 -0.048 0.000 2.058 251 E HA -0.247 4.111 4.350 0.014 0.000 0.194 251 E C 1.949 178.535 176.600 -0.024 0.000 0.997 251 E CA 2.099 58.482 56.400 -0.028 0.000 0.801 251 E CB -0.200 29.485 29.700 -0.025 0.000 0.746 251 E HN 0.582 nan 8.360 nan 0.000 0.450 252 M N 0.085 119.643 119.600 -0.070 0.000 2.159 252 M HA -0.129 4.359 4.480 0.014 0.000 0.263 252 M C 2.256 178.493 176.300 -0.104 0.000 1.063 252 M CA 0.991 56.221 55.300 -0.117 0.000 1.110 252 M CB 0.073 32.444 32.600 -0.380 0.000 1.374 252 M HN -0.032 nan 8.290 nan 0.000 0.411 253 S N 0.567 116.215 115.700 -0.087 0.000 2.447 253 S HA -0.008 4.470 4.470 0.014 0.000 0.233 253 S C 2.003 176.604 174.600 0.001 0.000 1.006 253 S CA 0.991 59.169 58.200 -0.036 0.000 0.957 253 S CB -0.280 62.907 63.200 -0.022 0.000 0.773 253 S HN 0.548 nan 8.310 nan 0.000 0.507 254 A N 1.897 124.718 122.820 0.002 0.000 2.015 254 A HA -0.085 4.243 4.320 0.014 0.000 0.219 254 A C 1.975 179.571 177.584 0.020 0.000 1.163 254 A CA 1.236 53.277 52.037 0.007 0.000 0.646 254 A CB -0.351 18.651 19.000 0.003 0.000 0.806 254 A HN 0.444 nan 8.150 nan 0.000 0.448 255 K N -0.881 119.545 120.400 0.043 0.000 2.209 255 K HA -0.057 4.271 4.320 0.014 0.000 0.204 255 K C 0.772 177.398 176.600 0.044 0.000 1.048 255 K CA 1.591 57.910 56.287 0.054 0.000 0.940 255 K CB -0.088 32.475 32.500 0.105 0.000 0.729 255 K HN 0.340 nan 8.250 nan 0.000 0.451 256 T N 0.262 114.843 114.554 0.046 0.000 3.182 256 T HA 0.120 4.479 4.350 0.014 0.000 0.277 256 T C -0.285 174.434 174.700 0.032 0.000 1.013 256 T CA -0.220 61.903 62.100 0.039 0.000 0.900 256 T CB 0.439 69.338 68.868 0.053 0.000 1.098 256 T HN -0.094 nan 8.240 nan 0.000 0.543 257 V N 1.297 121.221 119.914 0.018 0.000 5.325 257 V HA -0.256 3.872 4.120 0.014 0.000 0.291 257 V C 0.652 176.753 176.094 0.012 0.000 0.541 257 V CA 0.770 63.071 62.300 0.001 0.000 0.687 257 V CB -2.041 29.779 31.823 -0.006 0.000 0.491 257 V HN 0.566 nan 8.190 nan 0.000 1.145 258 K N 0.673 121.094 120.400 0.035 0.000 2.319 258 K HA 0.281 4.609 4.320 0.014 0.000 0.265 258 K C 0.711 177.352 176.600 0.067 0.000 1.000 258 K CA -0.549 55.786 56.287 0.081 0.000 0.943 258 K CB 0.363 32.907 32.500 0.073 0.000 0.950 258 K HN 0.542 nan 8.250 nan 0.000 0.485 259 H N 0.928 120.006 119.070 0.014 0.000 2.886 259 H HA 0.084 4.647 4.556 0.012 0.000 0.329 259 H C -0.420 174.932 175.328 0.040 0.000 1.044 259 H CA -0.013 56.048 56.048 0.022 0.000 1.456 259 H CB 0.629 30.393 29.762 0.004 0.000 1.464 259 H HN 0.088 nan 8.280 nan 0.000 0.573 260 V N 3.294 123.307 119.914 0.164 0.000 2.709 260 V HA 0.239 4.368 4.120 0.014 0.000 0.308 260 V C 0.037 176.284 176.094 0.254 0.000 1.062 260 V CA -0.793 61.614 62.300 0.178 0.000 0.901 260 V CB 2.169 34.106 31.823 0.190 0.000 1.003 260 V HN 0.935 nan 8.190 nan 0.000 0.425 261 T N 2.761 117.377 114.554 0.104 0.000 2.876 261 T HA 0.855 5.213 4.350 0.014 0.000 0.289 261 T C -1.043 173.571 174.700 -0.144 0.000 1.014 261 T CA -0.707 61.392 62.100 -0.003 0.000 0.986 261 T CB 1.672 70.468 68.868 -0.120 0.000 1.021 261 T HN 0.391 nan 8.240 nan 0.000 0.458 262 L N 2.076 123.060 121.223 -0.399 0.000 2.409 262 L HA 0.549 4.897 4.340 0.014 0.000 0.272 262 L C -0.361 176.362 176.870 -0.245 0.000 0.980 262 L CA -0.809 53.849 54.840 -0.304 0.000 0.826 262 L CB 2.176 43.918 42.059 -0.529 0.000 1.268 262 L HN 0.684 nan 8.230 nan 0.000 0.407 263 E N 4.255 124.397 120.200 -0.097 0.000 2.255 263 E HA 0.410 4.768 4.350 0.014 0.000 0.245 263 E C -0.911 175.665 176.600 -0.039 0.000 0.909 263 E CA -0.615 55.725 56.400 -0.101 0.000 0.747 263 E CB 2.317 31.977 29.700 -0.067 0.000 1.215 263 E HN 0.262 nan 8.360 nan 0.000 0.424 264 L N 0.587 121.804 121.223 -0.009 0.000 2.687 264 L HA 0.548 4.896 4.340 0.014 0.000 0.252 264 L C 1.417 178.325 176.870 0.064 0.000 1.115 264 L CA -0.410 54.466 54.840 0.060 0.000 0.893 264 L CB -0.083 42.035 42.059 0.098 0.000 1.670 264 L HN 0.496 nan 8.230 nan 0.000 0.531 265 G N -1.804 107.054 108.800 0.095 0.000 2.666 265 G HA2 0.586 4.554 3.960 0.014 0.000 0.207 265 G HA3 0.586 4.554 3.960 0.014 0.000 0.207 265 G C -0.509 174.323 174.900 -0.112 0.000 1.481 265 G CA 0.148 45.247 45.100 -0.001 0.000 1.071 265 G HN 0.903 nan 8.290 nan 0.000 0.572 266 G N -2.257 106.249 108.800 -0.489 0.000 2.550 266 G HA2 0.469 4.437 3.960 0.014 0.000 0.293 266 G HA3 0.469 4.437 3.960 0.014 0.000 0.293 266 G C -1.559 172.733 174.900 -1.013 0.000 1.402 266 G CA -0.335 44.310 45.100 -0.758 0.000 0.784 266 G HN 0.583 nan 8.290 nan 0.000 0.482 267 K N 0.657 120.686 120.400 -0.618 0.000 3.350 267 K HA 0.444 4.772 4.320 0.014 0.000 0.167 267 K C 0.027 176.608 176.600 -0.033 0.000 1.058 267 K CA -0.502 55.630 56.287 -0.258 0.000 0.783 267 K CB 0.066 32.518 32.500 -0.079 0.000 0.872 267 K HN 0.455 nan 8.250 nan 0.000 0.561 268 S N 3.064 118.754 115.700 -0.016 0.000 2.560 268 S HA 0.255 4.733 4.470 0.014 0.000 0.284 268 S C -2.384 172.285 174.600 0.115 0.000 1.327 268 S CA -0.514 57.739 58.200 0.088 0.000 1.055 268 S CB 0.497 63.798 63.200 0.169 0.000 0.868 268 S HN 0.390 nan 8.310 nan 0.000 0.506 269 P HA 0.451 nan 4.420 nan 0.000 0.301 269 P C -1.355 176.087 177.300 0.237 0.000 1.337 269 P CA -0.815 62.426 63.100 0.234 0.000 0.889 269 P CB 1.213 33.083 31.700 0.283 0.000 1.050 270 L N 4.608 125.957 121.223 0.210 0.000 2.325 270 L HA 0.444 4.792 4.340 0.014 0.000 0.281 270 L C -1.167 175.821 176.870 0.197 0.000 1.004 270 L CA -0.599 54.368 54.840 0.212 0.000 0.823 270 L CB 0.881 42.986 42.059 0.077 0.000 1.236 270 L HN 0.200 nan 8.230 nan 0.000 0.415 271 L N 6.617 127.951 121.223 0.185 0.000 2.298 271 L HA 0.530 4.879 4.340 0.014 0.000 0.284 271 L C -0.584 176.371 176.870 0.141 0.000 1.013 271 L CA -0.551 54.321 54.840 0.053 0.000 0.824 271 L CB 1.371 43.353 42.059 -0.128 0.000 1.221 271 L HN 0.507 nan 8.230 nan 0.000 0.418 272 I N 3.240 123.858 120.570 0.079 0.000 2.354 272 I HA 0.344 4.522 4.170 0.014 0.000 0.286 272 I C -0.326 175.830 176.117 0.065 0.000 1.007 272 I CA -0.222 61.143 61.300 0.110 0.000 1.167 272 I CB 1.079 39.006 38.000 -0.122 0.000 1.320 272 I HN 0.401 nan 8.210 nan 0.000 0.458 273 F N 4.931 125.027 119.950 0.243 0.000 2.380 273 F HA 0.229 4.764 4.527 0.013 0.000 0.321 273 F C 1.779 177.625 175.800 0.076 0.000 1.103 273 F CA -0.525 57.591 58.000 0.194 0.000 1.067 273 F CB 1.060 40.174 39.000 0.190 0.000 1.265 273 F HN 0.440 nan 8.300 nan 0.000 0.517 274 K N -0.001 120.533 120.400 0.224 0.000 2.365 274 K HA -0.113 4.215 4.320 0.014 0.000 0.199 274 K C 0.650 177.321 176.600 0.118 0.000 1.045 274 K CA 1.563 57.909 56.287 0.098 0.000 0.962 274 K CB -0.298 32.225 32.500 0.038 0.000 0.759 274 K HN 0.673 nan 8.250 nan 0.000 0.469 275 D N 1.836 122.331 120.400 0.158 0.000 2.328 275 D HA -0.060 4.588 4.640 0.014 0.000 0.226 275 D C 0.961 177.340 176.300 0.132 0.000 1.066 275 D CA -0.183 53.886 54.000 0.114 0.000 0.861 275 D CB -0.824 40.025 40.800 0.082 0.000 0.912 275 D HN 0.416 nan 8.370 nan 0.000 0.521 276 C N 0.238 119.644 119.300 0.177 0.000 2.758 276 C HA 0.332 4.801 4.460 0.014 0.000 0.371 276 C C 0.600 175.679 174.990 0.149 0.000 1.342 276 C CA -1.014 58.125 59.018 0.202 0.000 2.257 276 C CB -0.022 27.873 27.740 0.257 0.000 2.621 276 C HN 0.207 nan 8.230 nan 0.000 0.730 277 E N 0.933 121.231 120.200 0.164 0.000 2.052 277 E HA 0.147 4.505 4.350 0.014 0.000 0.283 277 E C 0.853 177.508 176.600 0.093 0.000 1.071 277 E CA -0.237 56.233 56.400 0.118 0.000 0.851 277 E CB 0.826 30.599 29.700 0.121 0.000 1.066 277 E HN 0.632 nan 8.360 nan 0.000 0.396 278 L N 2.790 124.052 121.223 0.066 0.000 2.013 278 L HA -0.257 4.091 4.340 0.014 0.000 0.212 278 L C 2.300 179.177 176.870 0.011 0.000 1.073 278 L CA 1.728 56.597 54.840 0.048 0.000 0.753 278 L CB -0.063 42.027 42.059 0.052 0.000 0.890 278 L HN 0.571 nan 8.230 nan 0.000 0.432 279 E N 0.364 120.571 120.200 0.011 0.000 2.110 279 E HA -0.228 4.131 4.350 0.014 0.000 0.193 279 E C 1.836 178.428 176.600 -0.014 0.000 0.988 279 E CA 1.524 57.919 56.400 -0.007 0.000 0.804 279 E CB -0.130 29.573 29.700 0.006 0.000 0.745 279 E HN 0.395 nan 8.360 nan 0.000 0.458 280 N N 0.074 118.790 118.700 0.026 0.000 2.142 280 N HA -0.091 4.658 4.740 0.014 0.000 0.186 280 N C 1.592 176.999 175.510 -0.171 0.000 1.023 280 N CA 1.464 54.560 53.050 0.078 0.000 0.852 280 N CB -0.473 38.159 38.487 0.243 0.000 0.998 280 N HN 0.314 nan 8.380 nan 0.000 0.424 281 A N 0.712 123.257 122.820 -0.458 0.000 1.933 281 A HA -0.060 4.268 4.320 0.014 0.000 0.218 281 A C 2.516 179.859 177.584 -0.402 0.000 1.175 281 A CA 1.080 52.501 52.037 -1.026 0.000 0.628 281 A CB -0.649 18.011 19.000 -0.566 0.000 0.814 281 A HN 0.098 nan 8.150 nan 0.000 0.444 282 V N 0.127 119.954 119.914 -0.144 0.000 2.295 282 V HA -0.282 3.846 4.120 0.014 0.000 0.246 282 V C 2.632 178.661 176.094 -0.108 0.000 1.049 282 V CA 2.240 64.469 62.300 -0.118 0.000 1.024 282 V CB -0.816 30.910 31.823 -0.161 0.000 0.648 282 V HN 0.549 nan 8.190 nan 0.000 0.447 283 R N 0.156 120.606 120.500 -0.083 0.000 2.096 283 R HA -0.163 4.186 4.340 0.014 0.000 0.240 283 R C 2.481 178.773 176.300 -0.013 0.000 1.139 283 R CA 1.660 57.743 56.100 -0.028 0.000 0.952 283 R CB -1.065 29.244 30.300 0.014 0.000 0.854 283 R HN 0.598 nan 8.270 nan 0.000 0.436 284 G N 0.939 109.723 108.800 -0.028 0.000 2.491 284 G HA2 -0.320 3.648 3.960 0.014 0.000 0.218 284 G HA3 -0.320 3.648 3.960 0.014 0.000 0.218 284 G C 1.588 176.466 174.900 -0.036 0.000 1.180 284 G CA 1.025 46.189 45.100 0.106 0.000 0.774 284 G HN 0.448 nan 8.290 nan 0.000 0.562 285 A N 0.066 122.824 122.820 -0.104 0.000 1.933 285 A HA 0.084 4.412 4.320 0.014 0.000 0.218 285 A C 2.378 179.845 177.584 -0.195 0.000 1.175 285 A CA 1.443 53.408 52.037 -0.119 0.000 0.628 285 A CB -0.353 18.714 19.000 0.112 0.000 0.814 285 A HN 0.300 nan 8.150 nan 0.000 0.444 286 L N -0.906 120.253 121.223 -0.106 0.000 2.017 286 L HA -0.097 4.251 4.340 0.014 0.000 0.208 286 L C 2.550 179.373 176.870 -0.078 0.000 1.073 286 L CA 1.635 56.451 54.840 -0.039 0.000 0.745 286 L CB -1.006 41.087 42.059 0.058 0.000 0.894 286 L HN 0.334 nan 8.230 nan 0.000 0.432 287 M N -1.275 118.288 119.600 -0.062 0.000 2.394 287 M HA -0.028 4.461 4.480 0.014 0.000 0.264 287 M C 2.105 178.339 176.300 -0.110 0.000 1.073 287 M CA 1.174 56.444 55.300 -0.050 0.000 1.111 287 M CB -1.204 31.390 32.600 -0.009 0.000 1.401 287 M HN 0.261 nan 8.290 nan 0.000 0.448 288 A N -0.197 122.458 122.820 -0.276 0.000 2.167 288 A HA -0.023 4.305 4.320 0.014 0.000 0.214 288 A C 1.900 179.218 177.584 -0.443 0.000 1.151 288 A CA 0.957 52.671 52.037 -0.538 0.000 0.735 288 A CB -0.290 17.994 19.000 -1.194 0.000 0.802 288 A HN 0.490 nan 8.150 nan 0.000 0.467 289 N N -2.052 116.341 118.700 -0.511 0.000 2.360 289 N HA 0.146 4.894 4.740 0.014 0.000 0.211 289 N C -0.287 174.889 175.510 -0.558 0.000 1.147 289 N CA 0.487 53.120 53.050 -0.694 0.000 0.866 289 N CB 0.489 38.238 38.487 -1.231 0.000 1.206 289 N HN 0.379 nan 8.380 nan 0.000 0.478 290 F N 1.262 121.161 119.950 -0.083 0.000 2.698 290 F HA 0.430 4.966 4.527 0.014 0.000 0.304 290 F C 0.460 176.225 175.800 -0.058 0.000 1.108 290 F CA -0.408 57.552 58.000 -0.067 0.000 1.263 290 F CB -0.172 38.793 39.000 -0.057 0.000 1.013 290 F HN -0.234 nan 8.300 nan 0.000 0.532 291 L N 0.014 121.274 121.223 0.062 0.000 2.417 291 L HA 0.235 4.584 4.340 0.014 0.000 0.268 291 L C 1.152 178.026 176.870 0.005 0.000 1.158 291 L CA -0.101 54.759 54.840 0.034 0.000 0.819 291 L CB 0.192 42.263 42.059 0.021 0.000 1.112 291 L HN 0.152 nan 8.230 nan 0.000 0.458 292 T N 2.121 116.661 114.554 -0.022 0.000 3.795 292 T HA -0.221 4.137 4.350 0.014 0.000 0.370 292 T C 0.541 175.221 174.700 -0.033 0.000 0.761 292 T CA 0.882 62.938 62.100 -0.073 0.000 1.923 292 T CB -1.145 67.605 68.868 -0.197 0.000 1.795 292 T HN 0.790 nan 8.240 nan 0.000 0.762 293 Q N -2.017 117.792 119.800 0.014 0.000 2.481 293 Q HA -0.178 4.170 4.340 0.014 0.000 0.272 293 Q C 1.311 177.334 176.000 0.039 0.000 1.157 293 Q CA 2.084 57.911 55.803 0.041 0.000 0.935 293 Q CB -1.918 26.841 28.738 0.034 0.000 1.338 293 Q HN 1.659 nan 8.270 nan 0.000 0.494 294 G N -1.007 107.805 108.800 0.021 0.000 2.155 294 G HA2 -0.378 3.590 3.960 0.014 0.000 0.257 294 G HA3 -0.378 3.590 3.960 0.014 0.000 0.257 294 G C 0.046 174.773 174.900 -0.287 0.000 0.983 294 G CA 0.456 45.517 45.100 -0.064 0.000 0.676 294 G HN 0.460 nan 8.290 nan 0.000 0.528 295 Q N -0.038 119.556 119.800 -0.344 0.000 3.035 295 Q HA 0.538 4.886 4.340 0.014 0.000 0.354 295 Q C -0.422 175.055 176.000 -0.871 0.000 1.247 295 Q CA -0.249 55.064 55.803 -0.817 0.000 1.068 295 Q CB 1.499 30.148 28.738 -0.149 0.000 1.424 295 Q HN 0.276 nan 8.270 nan 0.000 0.486 296 V N 0.272 119.728 119.914 -0.763 0.000 2.623 296 V HA 0.057 4.185 4.120 0.014 0.000 0.304 296 V C 1.072 177.097 176.094 -0.115 0.000 1.054 296 V CA -0.907 61.245 62.300 -0.247 0.000 0.882 296 V CB 1.333 33.121 31.823 -0.059 0.000 1.002 296 V HN 0.803 nan 8.190 nan 0.000 0.424 297 C N 1.282 120.643 119.300 0.102 0.000 2.429 297 C HA -0.102 4.367 4.460 0.014 0.000 0.277 297 C C 2.458 177.526 174.990 0.131 0.000 1.262 297 C CA 1.403 60.545 59.018 0.205 0.000 1.733 297 C CB -1.559 26.301 27.740 0.200 0.000 2.010 297 C HN 0.957 nan 8.230 nan 0.000 0.483 298 T N -1.605 113.029 114.554 0.134 0.000 3.148 298 T HA 0.068 4.426 4.350 0.014 0.000 0.253 298 T C 0.368 175.210 174.700 0.236 0.000 1.134 298 T CA -0.059 62.156 62.100 0.191 0.000 1.051 298 T CB -1.255 67.743 68.868 0.217 0.000 0.959 298 T HN 0.706 nan 8.240 nan 0.000 0.525 299 N N 1.517 120.281 118.700 0.107 0.000 2.356 299 N HA 0.225 4.973 4.740 0.014 0.000 0.252 299 N C 0.505 176.011 175.510 -0.007 0.000 1.241 299 N CA -0.190 52.876 53.050 0.028 0.000 0.861 299 N CB 0.315 38.729 38.487 -0.121 0.000 1.075 299 N HN 0.476 nan 8.380 nan 0.000 0.461 300 G N 1.045 109.716 108.800 -0.214 0.000 2.821 300 G HA2 0.032 4.001 3.960 0.014 0.000 0.289 300 G HA3 0.032 4.001 3.960 0.014 0.000 0.289 300 G C 1.070 175.821 174.900 -0.249 0.000 0.771 300 G CA -0.460 44.499 45.100 -0.235 0.000 1.908 300 G HN 0.674 nan 8.290 nan 0.000 0.539 301 T N -1.156 113.297 114.554 -0.168 0.000 3.107 301 T HA 0.186 4.544 4.350 0.014 0.000 0.249 301 T C 1.004 175.600 174.700 -0.174 0.000 1.096 301 T CA -0.126 61.864 62.100 -0.184 0.000 1.012 301 T CB 0.251 69.024 68.868 -0.159 0.000 0.977 301 T HN 0.322 nan 8.240 nan 0.000 0.527 302 R N 1.339 121.737 120.500 -0.169 0.000 2.352 302 R HA 0.527 4.875 4.340 0.014 0.000 0.304 302 R C -1.447 174.645 176.300 -0.347 0.000 1.104 302 R CA -0.491 55.440 56.100 -0.282 0.000 0.991 302 R CB 1.858 32.017 30.300 -0.235 0.000 1.140 302 R HN 0.139 nan 8.270 nan 0.000 0.540 303 V N 4.772 124.469 119.914 -0.362 0.000 2.348 303 V HA 0.295 4.423 4.120 0.014 0.000 0.270 303 V C -0.287 175.590 176.094 -0.363 0.000 1.037 303 V CA -0.423 61.712 62.300 -0.275 0.000 0.872 303 V CB 0.306 32.018 31.823 -0.185 0.000 1.002 303 V HN 0.484 nan 8.190 nan 0.000 0.464 304 F N 4.122 124.012 119.950 -0.099 0.000 2.391 304 F HA 0.552 5.087 4.527 0.013 0.000 0.359 304 F C 0.195 176.025 175.800 0.049 0.000 1.122 304 F CA -0.476 57.514 58.000 -0.017 0.000 1.120 304 F CB 1.530 40.459 39.000 -0.119 0.000 1.142 304 F HN 0.192 nan 8.300 nan 0.000 0.483 305 V N 3.763 123.761 119.914 0.140 0.000 2.487 305 V HA 0.271 4.399 4.120 0.014 0.000 0.298 305 V C -0.134 175.735 176.094 -0.375 0.000 1.028 305 V CA -1.125 61.072 62.300 -0.171 0.000 0.860 305 V CB 1.566 33.110 31.823 -0.465 0.000 0.991 305 V HN 0.666 nan 8.190 nan 0.000 0.427 306 Q N 3.099 122.470 119.800 -0.714 0.000 2.330 306 Q HA 0.122 4.471 4.340 0.014 0.000 0.279 306 Q C 1.433 177.128 176.000 -0.509 0.000 1.024 306 Q CA 0.164 55.285 55.803 -1.136 0.000 0.900 306 Q CB 0.673 28.880 28.738 -0.884 0.000 1.221 306 Q HN 0.631 nan 8.270 nan 0.000 0.396 307 R N 2.678 122.923 120.500 -0.424 0.000 2.113 307 R HA -0.278 4.070 4.340 0.014 0.000 0.244 307 R C 1.228 177.449 176.300 -0.132 0.000 1.142 307 R CA 2.438 58.415 56.100 -0.205 0.000 0.953 307 R CB 0.144 30.358 30.300 -0.142 0.000 0.860 307 R HN 0.736 nan 8.270 nan 0.000 0.438 308 E N 0.010 120.136 120.200 -0.123 0.000 2.160 308 E HA -0.187 4.171 4.350 0.014 0.000 0.195 308 E C 1.654 178.227 176.600 -0.045 0.000 0.991 308 E CA 1.701 58.060 56.400 -0.067 0.000 0.810 308 E CB -0.108 29.560 29.700 -0.052 0.000 0.742 308 E HN 0.674 nan 8.360 nan 0.000 0.466 309 I N -2.867 117.668 120.570 -0.058 0.000 4.018 309 I HA 0.268 4.446 4.170 0.014 0.000 0.337 309 I C 1.748 177.880 176.117 0.024 0.000 1.327 309 I CA -0.212 61.082 61.300 -0.009 0.000 1.100 309 I CB 0.151 38.151 38.000 -0.000 0.000 1.025 309 I HN -0.036 nan 8.210 nan 0.000 0.396 310 M N 2.923 122.515 119.600 -0.013 0.000 2.082 310 M HA -0.030 4.458 4.480 0.014 0.000 0.258 310 M C -0.920 175.439 176.300 0.098 0.000 1.069 310 M CA 2.681 58.002 55.300 0.034 0.000 1.102 310 M CB -1.150 31.439 32.600 -0.019 0.000 1.336 310 M HN 0.074 nan 8.290 nan 0.000 0.404 311 P HA -0.198 nan 4.420 nan 0.000 0.214 311 P C 1.206 178.532 177.300 0.043 0.000 1.163 311 P CA 1.669 64.793 63.100 0.040 0.000 0.883 311 P CB -0.582 31.128 31.700 0.018 0.000 0.788 312 Q N -1.137 118.691 119.800 0.047 0.000 2.167 312 Q HA -0.166 4.182 4.340 0.014 0.000 0.202 312 Q C 2.173 178.199 176.000 0.042 0.000 0.970 312 Q CA 1.307 57.129 55.803 0.032 0.000 0.855 312 Q CB -1.563 27.192 28.738 0.029 0.000 0.911 312 Q HN 0.244 nan 8.270 nan 0.000 0.438 313 F N 1.886 121.812 119.950 -0.041 0.000 2.069 313 F HA -0.215 4.320 4.527 0.013 0.000 0.298 313 F C 1.902 177.675 175.800 -0.044 0.000 1.113 313 F CA 1.049 59.019 58.000 -0.051 0.000 1.214 313 F CB -0.267 38.698 39.000 -0.059 0.000 0.978 313 F HN 0.021 nan 8.300 nan 0.000 0.474 314 L N 1.046 122.276 121.223 0.011 0.000 2.042 314 L HA -0.219 4.129 4.340 0.014 0.000 0.210 314 L C 2.480 179.268 176.870 -0.136 0.000 1.076 314 L CA 2.106 56.904 54.840 -0.070 0.000 0.749 314 L CB -1.418 40.681 42.059 0.066 0.000 0.893 314 L HN 0.421 nan 8.230 nan 0.000 0.432 315 E N -0.631 119.514 120.200 -0.091 0.000 2.038 315 E HA -0.302 4.056 4.350 0.014 0.000 0.195 315 E C 2.052 178.579 176.600 -0.123 0.000 1.000 315 E CA 1.584 57.934 56.400 -0.082 0.000 0.803 315 E CB 0.010 29.679 29.700 -0.051 0.000 0.750 315 E HN 0.427 nan 8.360 nan 0.000 0.448 316 E N 0.014 120.116 120.200 -0.163 0.000 2.106 316 E HA -0.111 4.247 4.350 0.014 0.000 0.192 316 E C 1.913 178.370 176.600 -0.239 0.000 0.984 316 E CA 0.821 57.114 56.400 -0.177 0.000 0.806 316 E CB -0.158 29.442 29.700 -0.167 0.000 0.750 316 E HN 0.202 nan 8.360 nan 0.000 0.458 317 V N -0.695 118.983 119.914 -0.392 0.000 2.548 317 V HA -0.143 3.985 4.120 0.014 0.000 0.249 317 V C 2.059 178.040 176.094 -0.189 0.000 1.055 317 V CA 1.318 63.384 62.300 -0.389 0.000 1.065 317 V CB 0.036 31.418 31.823 -0.736 0.000 0.681 317 V HN 0.217 nan 8.190 nan 0.000 0.462 318 V N 0.207 120.027 119.914 -0.157 0.000 2.358 318 V HA -0.222 3.906 4.120 0.014 0.000 0.246 318 V C 2.451 178.493 176.094 -0.086 0.000 1.047 318 V CA 2.376 64.622 62.300 -0.089 0.000 1.035 318 V CB -0.664 31.119 31.823 -0.068 0.000 0.658 318 V HN 0.571 nan 8.190 nan 0.000 0.452 319 K N 0.058 120.403 120.400 -0.092 0.000 2.057 319 K HA -0.184 4.144 4.320 0.014 0.000 0.207 319 K C 2.396 178.948 176.600 -0.081 0.000 1.049 319 K CA 1.214 57.454 56.287 -0.078 0.000 0.931 319 K CB -0.088 32.368 32.500 -0.073 0.000 0.714 319 K HN 0.278 nan 8.250 nan 0.000 0.440 320 R N 0.132 120.579 120.500 -0.088 0.000 2.096 320 R HA -0.068 4.280 4.340 0.014 0.000 0.235 320 R C 2.288 178.536 176.300 -0.087 0.000 1.127 320 R CA 1.675 57.729 56.100 -0.077 0.000 0.968 320 R CB -0.959 29.297 30.300 -0.073 0.000 0.861 320 R HN 0.305 nan 8.270 nan 0.000 0.440 321 T N 1.489 115.985 114.554 -0.097 0.000 2.777 321 T HA -0.084 4.275 4.350 0.014 0.000 0.266 321 T C 1.785 176.362 174.700 -0.204 0.000 1.040 321 T CA 1.260 63.244 62.100 -0.193 0.000 1.141 321 T CB -0.034 68.740 68.868 -0.158 0.000 0.868 321 T HN 0.268 nan 8.240 nan 0.000 0.444 322 K N 1.228 121.547 120.400 -0.135 0.000 2.147 322 K HA 0.059 4.387 4.320 0.014 0.000 0.205 322 K C 2.409 178.947 176.600 -0.103 0.000 1.049 322 K CA 1.100 57.319 56.287 -0.112 0.000 0.936 322 K CB -0.187 32.264 32.500 -0.081 0.000 0.722 322 K HN 0.280 nan 8.250 nan 0.000 0.446 323 A N 1.095 123.858 122.820 -0.095 0.000 2.168 323 A HA 0.022 4.350 4.320 0.014 0.000 0.215 323 A C 0.840 178.373 177.584 -0.085 0.000 1.152 323 A CA 0.180 52.169 52.037 -0.079 0.000 0.716 323 A CB -0.416 18.546 19.000 -0.065 0.000 0.794 323 A HN 0.156 nan 8.150 nan 0.000 0.465 324 I N 1.544 122.045 120.570 -0.115 0.000 2.742 324 I HA -0.042 4.136 4.170 0.014 0.000 0.287 324 I C -0.273 175.789 176.117 -0.092 0.000 1.186 324 I CA -0.006 61.226 61.300 -0.113 0.000 1.417 324 I CB 0.701 38.590 38.000 -0.185 0.000 1.377 324 I HN -0.098 nan 8.210 nan 0.000 0.556 325 V N 8.358 128.234 119.914 -0.064 0.000 2.439 325 V HA 0.078 4.206 4.120 0.014 0.000 0.271 325 V C 0.294 176.360 176.094 -0.047 0.000 1.040 325 V CA -0.279 61.987 62.300 -0.057 0.000 1.002 325 V CB 0.964 32.761 31.823 -0.044 0.000 1.000 325 V HN 0.380 nan 8.190 nan 0.000 0.477 326 V N 5.319 125.197 119.914 -0.061 0.000 2.384 326 V HA 0.972 5.101 4.120 0.014 0.000 0.287 326 V C 0.657 176.677 176.094 -0.122 0.000 1.020 326 V CA 0.613 62.892 62.300 -0.035 0.000 0.850 326 V CB 0.762 32.567 31.823 -0.030 0.000 0.987 326 V HN 1.106 nan 8.190 nan 0.000 0.436 327 G N 3.674 112.443 108.800 -0.053 0.000 2.498 327 G HA2 0.177 4.145 3.960 0.014 0.000 0.181 327 G HA3 0.177 4.145 3.960 0.014 0.000 0.181 327 G C -1.415 173.524 174.900 0.065 0.000 1.169 327 G CA -0.518 44.490 45.100 -0.153 0.000 0.992 327 G HN 0.531 nan 8.290 nan 0.000 0.490 328 D N 2.053 122.467 120.400 0.024 0.000 2.358 328 D HA 0.333 4.982 4.640 0.014 0.000 0.258 328 D C -0.621 175.715 176.300 0.060 0.000 1.223 328 D CA -1.805 52.234 54.000 0.066 0.000 0.886 328 D CB 1.667 42.479 40.800 0.021 0.000 1.120 328 D HN 0.023 nan 8.370 nan 0.000 0.482 329 P HA -0.152 nan 4.420 nan 0.000 0.220 329 P C 1.329 178.645 177.300 0.027 0.000 1.148 329 P CA 0.247 63.376 63.100 0.049 0.000 0.803 329 P CB 0.409 32.133 31.700 0.040 0.000 0.782 330 L N -1.596 119.640 121.223 0.021 0.000 2.610 330 L HA 0.074 4.422 4.340 0.014 0.000 0.232 330 L C 0.877 177.751 176.870 0.007 0.000 1.149 330 L CA 0.420 55.266 54.840 0.010 0.000 0.872 330 L CB -1.392 40.670 42.059 0.005 0.000 0.992 330 L HN -0.082 nan 8.230 nan 0.000 0.447 331 L N -0.874 120.354 121.223 0.009 0.000 2.350 331 L HA 0.187 4.535 4.340 0.014 0.000 0.275 331 L C 1.887 178.762 176.870 0.008 0.000 1.099 331 L CA 0.344 55.187 54.840 0.003 0.000 0.808 331 L CB 0.943 43.001 42.059 -0.002 0.000 1.149 331 L HN 0.212 nan 8.230 nan 0.000 0.442 332 T N -1.718 112.839 114.554 0.006 0.000 2.962 332 T HA -0.095 4.263 4.350 0.014 0.000 0.270 332 T C 0.981 175.689 174.700 0.014 0.000 1.088 332 T CA 1.109 63.216 62.100 0.012 0.000 1.127 332 T CB -0.078 68.795 68.868 0.009 0.000 0.883 332 T HN 0.638 nan 8.240 nan 0.000 0.493 333 E N 1.024 121.227 120.200 0.006 0.000 2.472 333 E HA 0.075 4.433 4.350 0.014 0.000 0.196 333 E C 0.157 176.757 176.600 -0.000 0.000 1.033 333 E CA -0.007 56.394 56.400 0.002 0.000 0.886 333 E CB -0.608 29.089 29.700 -0.005 0.000 0.944 333 E HN 0.323 nan 8.360 nan 0.000 0.492 334 T N 1.841 116.397 114.554 0.003 0.000 2.926 334 T HA 0.201 4.559 4.350 0.014 0.000 0.307 334 T C 0.767 175.475 174.700 0.012 0.000 1.059 334 T CA -0.152 61.951 62.100 0.005 0.000 1.122 334 T CB 1.183 70.061 68.868 0.017 0.000 0.972 334 T HN 0.011 nan 8.240 nan 0.000 0.545 335 R N 0.987 121.491 120.500 0.007 0.000 2.531 335 R HA 0.364 4.713 4.340 0.014 0.000 0.316 335 R C -0.194 176.113 176.300 0.013 0.000 0.955 335 R CA 0.008 56.112 56.100 0.008 0.000 1.120 335 R CB 0.381 30.677 30.300 -0.007 0.000 1.361 335 R HN 0.627 nan 8.270 nan 0.000 0.534 336 M N -0.550 119.066 119.600 0.025 0.000 2.365 336 M HA 0.489 4.977 4.480 0.014 0.000 0.287 336 M C -0.876 175.490 176.300 0.111 0.000 1.154 336 M CA -0.577 54.751 55.300 0.046 0.000 0.941 336 M CB 2.215 34.827 32.600 0.020 0.000 1.704 336 M HN 0.099 nan 8.290 nan 0.000 0.479 337 G N 1.645 110.508 108.800 0.104 0.000 2.857 337 G HA2 0.746 4.714 3.960 0.014 0.000 0.217 337 G HA3 0.746 4.714 3.960 0.014 0.000 0.217 337 G C -0.360 174.541 174.900 0.001 0.000 1.357 337 G CA -0.526 44.662 45.100 0.147 0.000 1.033 337 G HN 0.849 nan 8.290 nan 0.000 0.571 338 G N -1.043 107.525 108.800 -0.387 0.000 2.476 338 G HA2 0.491 4.460 3.960 0.014 0.000 0.269 338 G HA3 0.491 4.460 3.960 0.014 0.000 0.269 338 G C 0.206 174.974 174.900 -0.220 0.000 1.195 338 G CA -0.590 44.110 45.100 -0.667 0.000 0.843 338 G HN 0.504 nan 8.290 nan 0.000 0.545 339 L N 1.344 122.496 121.223 -0.118 0.000 2.479 339 L HA 0.190 4.538 4.340 0.014 0.000 0.248 339 L C 1.877 178.727 176.870 -0.034 0.000 1.205 339 L CA -0.835 53.984 54.840 -0.036 0.000 0.817 339 L CB 0.392 42.443 42.059 -0.014 0.000 1.162 339 L HN 0.409 nan 8.230 nan 0.000 0.486 340 I N -0.251 120.230 120.570 -0.149 0.000 2.315 340 I HA -0.131 4.047 4.170 0.014 0.000 0.248 340 I C 1.045 177.045 176.117 -0.196 0.000 1.117 340 I CA 1.178 62.330 61.300 -0.248 0.000 1.404 340 I CB 0.182 37.714 38.000 -0.780 0.000 1.071 340 I HN 0.867 nan 8.210 nan 0.000 0.419 341 S N -1.437 114.020 115.700 -0.406 0.000 2.625 341 S HA 0.283 4.761 4.470 0.014 0.000 0.271 341 S C 0.304 174.244 174.600 -1.101 0.000 1.161 341 S CA -0.726 57.027 58.200 -0.744 0.000 0.820 341 S CB 2.236 65.140 63.200 -0.494 0.000 1.137 341 S HN -0.011 nan 8.310 nan 0.000 0.470 342 K N 0.935 120.541 120.400 -1.324 0.000 2.062 342 K HA 0.239 4.568 4.320 0.014 0.000 0.205 342 K C -1.239 175.103 176.600 -0.429 0.000 1.051 342 K CA 1.362 57.123 56.287 -0.877 0.000 0.941 342 K CB -1.429 30.672 32.500 -0.664 0.000 0.719 342 K HN 0.466 nan 8.250 nan 0.000 0.440 343 P HA -0.119 nan 4.420 nan 0.000 0.217 343 P C 1.071 178.285 177.300 -0.143 0.000 1.150 343 P CA 1.095 64.079 63.100 -0.192 0.000 0.832 343 P CB 0.074 31.684 31.700 -0.150 0.000 0.787 344 Q N -0.722 118.966 119.800 -0.188 0.000 2.046 344 Q HA -0.125 4.223 4.340 0.014 0.000 0.200 344 Q C 2.155 178.127 176.000 -0.046 0.000 0.975 344 Q CA 1.116 56.867 55.803 -0.086 0.000 0.836 344 Q CB -1.319 27.340 28.738 -0.132 0.000 0.896 344 Q HN 0.205 nan 8.270 nan 0.000 0.428 345 L N 1.739 122.885 121.223 -0.128 0.000 2.042 345 L HA -0.198 4.150 4.340 0.014 0.000 0.210 345 L C 1.459 178.317 176.870 -0.020 0.000 1.076 345 L CA 2.036 56.840 54.840 -0.060 0.000 0.749 345 L CB -0.679 41.324 42.059 -0.093 0.000 0.893 345 L HN 0.058 nan 8.230 nan 0.000 0.432 346 D N -0.319 120.047 120.400 -0.056 0.000 2.144 346 D HA -0.214 4.434 4.640 0.014 0.000 0.199 346 D C 2.105 178.407 176.300 0.002 0.000 0.984 346 D CA 1.397 55.379 54.000 -0.031 0.000 0.834 346 D CB -0.148 40.615 40.800 -0.061 0.000 0.955 346 D HN 0.468 nan 8.370 nan 0.000 0.465 347 K N 0.912 121.326 120.400 0.024 0.000 2.057 347 K HA -0.080 4.248 4.320 0.014 0.000 0.206 347 K C 1.988 178.710 176.600 0.203 0.000 1.050 347 K CA 0.647 56.975 56.287 0.069 0.000 0.935 347 K CB 0.036 32.602 32.500 0.110 0.000 0.715 347 K HN -0.070 nan 8.250 nan 0.000 0.439 348 V N 2.111 122.159 119.914 0.224 0.000 2.295 348 V HA -0.266 3.862 4.120 0.014 0.000 0.246 348 V C 2.405 178.631 176.094 0.219 0.000 1.049 348 V CA 1.614 64.079 62.300 0.275 0.000 1.024 348 V CB -0.365 31.564 31.823 0.177 0.000 0.648 348 V HN 0.320 nan 8.190 nan 0.000 0.447 349 L N 0.238 121.535 121.223 0.124 0.000 2.046 349 L HA -0.088 4.261 4.340 0.014 0.000 0.208 349 L C 2.691 179.603 176.870 0.070 0.000 1.077 349 L CA 1.680 56.571 54.840 0.085 0.000 0.747 349 L CB -1.256 40.832 42.059 0.048 0.000 0.896 349 L HN 0.478 nan 8.230 nan 0.000 0.432 350 G N -0.064 108.755 108.800 0.032 0.000 2.476 350 G HA2 -0.307 3.661 3.960 0.014 0.000 0.218 350 G HA3 -0.307 3.661 3.960 0.014 0.000 0.218 350 G C 1.376 176.246 174.900 -0.050 0.000 1.164 350 G CA 0.797 45.871 45.100 -0.044 0.000 0.768 350 G HN 0.179 nan 8.290 nan 0.000 0.560 351 F N 0.581 120.552 119.950 0.036 0.000 2.095 351 F HA -0.109 4.427 4.527 0.014 0.000 0.298 351 F C 2.963 178.785 175.800 0.036 0.000 1.104 351 F CA 1.214 59.239 58.000 0.042 0.000 1.232 351 F CB -0.690 38.343 39.000 0.055 0.000 0.987 351 F HN -0.012 nan 8.300 nan 0.000 0.475 352 V N -0.102 119.948 119.914 0.227 0.000 2.332 352 V HA -0.335 3.793 4.120 0.014 0.000 0.248 352 V C 2.556 178.703 176.094 0.087 0.000 1.055 352 V CA 1.774 64.155 62.300 0.135 0.000 1.038 352 V CB -1.486 30.398 31.823 0.102 0.000 0.651 352 V HN 0.383 nan 8.190 nan 0.000 0.450 353 A N -0.804 122.054 122.820 0.063 0.000 1.902 353 A HA -0.310 4.018 4.320 0.014 0.000 0.217 353 A C 2.288 179.889 177.584 0.029 0.000 1.181 353 A CA 2.129 54.186 52.037 0.034 0.000 0.623 353 A CB -0.558 18.450 19.000 0.014 0.000 0.818 353 A HN 0.595 nan 8.150 nan 0.000 0.443 354 Q N -0.585 119.230 119.800 0.026 0.000 2.119 354 Q HA -0.121 4.228 4.340 0.014 0.000 0.201 354 Q C 2.208 178.240 176.000 0.053 0.000 0.972 354 Q CA 1.429 57.244 55.803 0.021 0.000 0.847 354 Q CB -0.318 28.411 28.738 -0.015 0.000 0.903 354 Q HN 0.603 nan 8.270 nan 0.000 0.433 355 A N 1.997 124.869 122.820 0.087 0.000 1.908 355 A HA -0.238 4.090 4.320 0.014 0.000 0.218 355 A C 1.967 179.583 177.584 0.054 0.000 1.181 355 A CA 1.915 54.002 52.037 0.083 0.000 0.627 355 A CB -0.487 18.570 19.000 0.094 0.000 0.818 355 A HN 0.539 nan 8.150 nan 0.000 0.445 356 K N 0.016 120.444 120.400 0.046 0.000 2.148 356 K HA -0.091 4.237 4.320 0.014 0.000 0.204 356 K C 1.729 178.345 176.600 0.027 0.000 1.050 356 K CA 1.359 57.666 56.287 0.033 0.000 0.942 356 K CB -0.267 32.250 32.500 0.028 0.000 0.724 356 K HN 0.385 nan 8.250 nan 0.000 0.446 357 K N 1.377 121.792 120.400 0.026 0.000 2.147 357 K HA -0.121 4.207 4.320 0.014 0.000 0.205 357 K C 1.780 178.394 176.600 0.023 0.000 1.049 357 K CA 1.568 57.867 56.287 0.020 0.000 0.936 357 K CB -0.013 32.496 32.500 0.014 0.000 0.722 357 K HN 0.357 nan 8.250 nan 0.000 0.446 358 E N -0.686 119.532 120.200 0.031 0.000 2.481 358 E HA -0.000 4.358 4.350 0.014 0.000 0.195 358 E C 0.948 177.567 176.600 0.030 0.000 1.047 358 E CA 0.502 56.922 56.400 0.032 0.000 0.867 358 E CB 0.479 30.205 29.700 0.043 0.000 0.858 358 E HN 0.521 nan 8.360 nan 0.000 0.513 359 G N 0.880 109.697 108.800 0.029 0.000 2.273 359 G HA2 -0.146 3.822 3.960 0.014 0.000 0.162 359 G HA3 -0.146 3.822 3.960 0.014 0.000 0.162 359 G C 0.299 175.215 174.900 0.025 0.000 1.006 359 G CA -0.227 44.888 45.100 0.025 0.000 0.704 359 G HN 0.398 nan 8.290 nan 0.000 0.487 360 A N 0.551 123.389 122.820 0.030 0.000 2.407 360 A HA 0.702 5.030 4.320 0.014 0.000 0.248 360 A C 0.645 178.244 177.584 0.026 0.000 1.082 360 A CA -0.001 52.053 52.037 0.029 0.000 0.785 360 A CB 0.430 19.452 19.000 0.036 0.000 1.020 360 A HN 0.340 nan 8.150 nan 0.000 0.489 361 R N 2.173 122.686 120.500 0.022 0.000 2.229 361 R HA 0.376 4.724 4.340 0.014 0.000 0.332 361 R C -1.259 175.054 176.300 0.022 0.000 0.989 361 R CA -0.313 55.799 56.100 0.020 0.000 0.842 361 R CB 0.861 31.171 30.300 0.017 0.000 1.119 361 R HN 0.509 nan 8.270 nan 0.000 0.456 362 V N 7.591 127.517 119.914 0.021 0.000 2.397 362 V HA 0.040 4.168 4.120 0.014 0.000 0.262 362 V C 1.593 177.696 176.094 0.015 0.000 1.047 362 V CA 0.142 62.456 62.300 0.022 0.000 1.003 362 V CB 0.835 32.672 31.823 0.023 0.000 1.037 362 V HN 0.762 nan 8.190 nan 0.000 0.480 363 L N 4.353 125.585 121.223 0.015 0.000 2.418 363 L HA 0.158 4.506 4.340 0.014 0.000 0.218 363 L C 0.820 177.688 176.870 -0.004 0.000 1.125 363 L CA 0.485 55.329 54.840 0.006 0.000 0.835 363 L CB 0.146 42.210 42.059 0.008 0.000 0.953 363 L HN 0.899 nan 8.230 nan 0.000 0.454 364 C N -3.682 115.617 119.300 -0.001 0.000 3.275 364 C HA 0.690 5.158 4.460 0.014 0.000 0.345 364 C C 0.603 175.586 174.990 -0.011 0.000 1.257 364 C CA -0.783 58.226 59.018 -0.016 0.000 1.203 364 C CB 0.651 28.369 27.740 -0.036 0.000 1.492 364 C HN 0.580 nan 8.230 nan 0.000 0.484 365 G N 0.636 109.422 108.800 -0.023 0.000 2.598 365 G HA2 0.376 4.344 3.960 0.014 0.000 0.269 365 G HA3 0.376 4.344 3.960 0.014 0.000 0.269 365 G C 1.232 176.136 174.900 0.006 0.000 1.289 365 G CA 1.803 46.890 45.100 -0.021 0.000 0.926 365 G HN 3.408 nan 8.290 nan 0.000 0.567 366 G N -1.430 107.381 108.800 0.019 0.000 2.132 366 G HA2 0.010 3.978 3.960 0.014 0.000 0.234 366 G HA3 0.010 3.978 3.960 0.014 0.000 0.234 366 G C 0.021 174.943 174.900 0.037 0.000 0.989 366 G CA 1.532 46.656 45.100 0.040 0.000 0.676 366 G HN 1.195 nan 8.290 nan 0.000 0.522 367 E N 0.037 120.255 120.200 0.028 0.000 2.369 367 E HA 0.499 4.857 4.350 0.014 0.000 0.270 367 E C -2.678 173.943 176.600 0.036 0.000 0.909 367 E CA -2.376 54.040 56.400 0.028 0.000 0.775 367 E CB 2.421 32.131 29.700 0.016 0.000 1.270 367 E HN 0.061 nan 8.360 nan 0.000 0.445 368 P HA 0.040 nan 4.420 nan 0.000 0.268 368 P C -0.981 176.349 177.300 0.050 0.000 1.208 368 P CA 0.158 63.291 63.100 0.054 0.000 0.777 368 P CB 0.481 32.208 31.700 0.045 0.000 0.875 369 L N 1.376 122.646 121.223 0.078 0.000 2.455 369 L HA 0.519 4.867 4.340 0.014 0.000 0.264 369 L C -1.132 175.760 176.870 0.036 0.000 0.968 369 L CA -0.211 54.654 54.840 0.043 0.000 0.827 369 L CB 2.116 44.195 42.059 0.033 0.000 1.317 369 L HN 0.237 nan 8.230 nan 0.000 0.407 370 T N 4.092 118.626 114.554 -0.032 0.000 2.864 370 T HA 0.469 4.828 4.350 0.014 0.000 0.310 370 T C -2.487 172.121 174.700 -0.153 0.000 1.040 370 T CA -1.007 61.053 62.100 -0.066 0.000 0.977 370 T CB 1.123 69.975 68.868 -0.026 0.000 0.976 370 T HN 0.401 nan 8.240 nan 0.000 0.459 371 P HA 0.238 nan 4.420 nan 0.000 0.270 371 P C 0.843 178.030 177.300 -0.187 0.000 1.223 371 P CA -0.265 62.645 63.100 -0.317 0.000 0.785 371 P CB 0.576 31.949 31.700 -0.544 0.000 0.923 372 S N -0.734 114.876 115.700 -0.149 0.000 2.356 372 S HA -0.132 4.347 4.470 0.014 0.000 0.223 372 S C 0.779 175.326 174.600 -0.090 0.000 1.032 372 S CA 1.130 59.270 58.200 -0.101 0.000 1.005 372 S CB -0.741 62.410 63.200 -0.083 0.000 0.867 372 S HN 0.667 nan 8.310 nan 0.000 0.449 373 D N 2.133 122.472 120.400 -0.101 0.000 2.451 373 D HA 0.044 4.692 4.640 0.014 0.000 0.254 373 D C -1.839 174.422 176.300 -0.065 0.000 1.204 373 D CA -1.704 52.251 54.000 -0.076 0.000 0.896 373 D CB 1.013 41.768 40.800 -0.076 0.000 1.136 373 D HN 0.020 nan 8.370 nan 0.000 0.499 374 P HA -0.156 nan 4.420 nan 0.000 0.219 374 P C 0.819 178.109 177.300 -0.017 0.000 1.146 374 P CA 1.503 64.586 63.100 -0.029 0.000 0.808 374 P CB 0.017 31.704 31.700 -0.022 0.000 0.779 375 K N -1.419 118.973 120.400 -0.014 0.000 2.486 375 K HA 0.047 4.375 4.320 0.014 0.000 0.194 375 K C 1.079 177.688 176.600 0.015 0.000 1.033 375 K CA 0.753 57.040 56.287 -0.001 0.000 1.004 375 K CB -0.497 32.003 32.500 -0.001 0.000 0.798 375 K HN 0.015 nan 8.250 nan 0.000 0.495 376 L N 0.704 121.937 121.223 0.016 0.000 2.607 376 L HA 0.225 4.573 4.340 0.014 0.000 0.228 376 L C 1.440 178.368 176.870 0.097 0.000 1.123 376 L CA 0.760 55.648 54.840 0.080 0.000 0.890 376 L CB 0.032 42.072 42.059 -0.031 0.000 1.103 376 L HN -0.030 nan 8.230 nan 0.000 0.468 377 K N 0.356 120.776 120.400 0.033 0.000 2.113 377 K HA -0.106 4.222 4.320 0.014 0.000 0.208 377 K C 1.308 177.946 176.600 0.064 0.000 1.047 377 K CA 1.460 57.767 56.287 0.033 0.000 0.928 377 K CB -0.252 32.253 32.500 0.009 0.000 0.716 377 K HN 0.389 nan 8.250 nan 0.000 0.446 378 N N -0.436 118.290 118.700 0.043 0.000 2.268 378 N HA 0.109 4.857 4.740 0.014 0.000 0.204 378 N C 0.158 175.622 175.510 -0.078 0.000 1.124 378 N CA -0.208 52.850 53.050 0.014 0.000 0.838 378 N CB 0.778 39.265 38.487 -0.001 0.000 0.994 378 N HN 0.125 nan 8.380 nan 0.000 0.489 379 G N -0.111 108.677 108.800 -0.019 0.000 2.606 379 G HA2 0.001 3.969 3.960 0.014 0.000 0.252 379 G HA3 0.001 3.969 3.960 0.014 0.000 0.252 379 G C -0.655 174.069 174.900 -0.293 0.000 1.206 379 G CA -0.256 44.662 45.100 -0.304 0.000 0.861 379 G HN 0.245 nan 8.290 nan 0.000 0.561 380 Y N 0.474 120.506 120.300 -0.445 0.000 2.826 380 Y HA 0.367 4.925 4.550 0.013 0.000 0.371 380 Y C -0.136 175.551 175.900 -0.355 0.000 1.252 380 Y CA -1.405 56.502 58.100 -0.322 0.000 1.813 380 Y CB -0.872 37.408 38.460 -0.300 0.000 1.913 380 Y HN 0.162 nan 8.280 nan 0.000 0.447 381 F N 2.290 122.286 119.950 0.077 0.000 2.432 381 F HA 0.665 5.200 4.527 0.014 0.000 0.329 381 F C 0.353 176.168 175.800 0.024 0.000 1.076 381 F CA -1.066 56.952 58.000 0.031 0.000 1.018 381 F CB 1.353 40.351 39.000 -0.003 0.000 1.201 381 F HN 0.124 nan 8.300 nan 0.000 0.489 382 M N 0.084 119.812 119.600 0.213 0.000 2.622 382 M HA 0.641 5.129 4.480 0.014 0.000 0.276 382 M C -1.302 175.043 176.300 0.075 0.000 1.265 382 M CA -0.929 54.440 55.300 0.115 0.000 0.850 382 M CB 2.265 34.913 32.600 0.080 0.000 1.720 382 M HN 0.436 nan 8.290 nan 0.000 0.465 383 S N 0.693 116.409 115.700 0.026 0.000 2.537 383 S HA 0.644 5.123 4.470 0.014 0.000 0.275 383 S C -2.612 171.955 174.600 -0.055 0.000 1.272 383 S CA -1.198 56.986 58.200 -0.027 0.000 1.050 383 S CB 0.282 63.460 63.200 -0.037 0.000 0.961 383 S HN 0.609 nan 8.310 nan 0.000 0.496 384 P HA 0.127 nan 4.420 nan 0.000 0.266 384 P C -0.520 176.686 177.300 -0.157 0.000 1.195 384 P CA -0.296 62.648 63.100 -0.261 0.000 0.768 384 P CB 0.303 31.568 31.700 -0.726 0.000 0.838 385 C N 3.760 123.074 119.300 0.024 0.000 2.498 385 C HA 0.570 5.039 4.460 0.014 0.000 0.316 385 C C -0.585 174.509 174.990 0.174 0.000 1.209 385 C CA -0.318 58.748 59.018 0.080 0.000 1.518 385 C CB 0.804 28.595 27.740 0.084 0.000 2.147 385 C HN 0.380 nan 8.230 nan 0.000 0.483 386 V N 7.168 127.149 119.914 0.111 0.000 2.448 386 V HA 0.512 4.640 4.120 0.014 0.000 0.295 386 V C -0.286 175.843 176.094 0.058 0.000 1.025 386 V CA -0.346 62.018 62.300 0.106 0.000 0.859 386 V CB 1.488 33.365 31.823 0.090 0.000 0.988 386 V HN 0.778 nan 8.190 nan 0.000 0.431 387 L N 3.772 125.022 121.223 0.045 0.000 2.334 387 L HA 0.701 5.049 4.340 0.014 0.000 0.276 387 L C -0.632 176.250 176.870 0.019 0.000 1.014 387 L CA -0.411 54.447 54.840 0.029 0.000 0.815 387 L CB 2.018 44.091 42.059 0.024 0.000 1.268 387 L HN 0.535 nan 8.230 nan 0.000 0.428 388 D N 0.630 121.041 120.400 0.019 0.000 2.450 388 D HA 0.297 4.945 4.640 0.014 0.000 0.238 388 D C -0.153 176.155 176.300 0.012 0.000 1.020 388 D CA -0.400 53.610 54.000 0.016 0.000 1.010 388 D CB 1.530 42.343 40.800 0.021 0.000 1.342 388 D HN 0.480 nan 8.370 nan 0.000 0.530 389 N N -0.745 117.962 118.700 0.011 0.000 2.754 389 N HA -0.175 4.573 4.740 0.014 0.000 0.248 389 N C -1.211 174.307 175.510 0.014 0.000 1.093 389 N CA 0.454 53.513 53.050 0.014 0.000 0.699 389 N CB -1.066 37.430 38.487 0.016 0.000 1.016 389 N HN 0.251 nan 8.380 nan 0.000 0.552 390 C N -0.139 119.163 119.300 0.004 0.000 2.351 390 C HA 0.678 5.147 4.460 0.014 0.000 0.359 390 C C 0.965 175.962 174.990 0.012 0.000 1.193 390 C CA -0.504 58.515 59.018 0.002 0.000 2.270 390 C CB 1.312 29.036 27.740 -0.027 0.000 2.369 390 C HN 0.373 nan 8.230 nan 0.000 0.553 391 R N 0.750 121.264 120.500 0.024 0.000 2.854 391 R HA 0.287 4.635 4.340 0.014 0.000 0.271 391 R C 0.092 176.423 176.300 0.051 0.000 0.994 391 R CA -0.704 55.421 56.100 0.041 0.000 0.945 391 R CB 1.129 31.455 30.300 0.044 0.000 1.194 391 R HN 0.614 nan 8.270 nan 0.000 0.476 392 D N 0.750 121.195 120.400 0.075 0.000 2.263 392 D HA -0.166 4.482 4.640 0.014 0.000 0.208 392 D C 0.972 177.318 176.300 0.077 0.000 0.971 392 D CA 1.382 55.438 54.000 0.092 0.000 0.867 392 D CB 0.104 40.972 40.800 0.114 0.000 0.929 392 D HN 0.584 nan 8.370 nan 0.000 0.492 393 D N -0.704 119.735 120.400 0.064 0.000 2.350 393 D HA -0.072 4.577 4.640 0.014 0.000 0.213 393 D C 0.832 177.169 176.300 0.062 0.000 1.031 393 D CA -0.099 53.936 54.000 0.059 0.000 0.861 393 D CB 0.004 40.834 40.800 0.049 0.000 0.926 393 D HN 0.153 nan 8.370 nan 0.000 0.520 394 M N 0.895 120.532 119.600 0.062 0.000 2.245 394 M HA 0.023 4.512 4.480 0.014 0.000 0.330 394 M C 1.337 177.691 176.300 0.090 0.000 1.098 394 M CA 0.104 55.445 55.300 0.068 0.000 1.172 394 M CB 1.060 33.695 32.600 0.058 0.000 1.467 394 M HN -0.203 nan 8.290 nan 0.000 0.454 395 T N 0.918 115.539 114.554 0.112 0.000 2.788 395 T HA -0.144 4.214 4.350 0.014 0.000 0.268 395 T C 1.636 176.454 174.700 0.197 0.000 1.044 395 T CA 1.758 63.957 62.100 0.165 0.000 1.139 395 T CB -0.435 68.543 68.868 0.185 0.000 0.867 395 T HN 0.948 nan 8.240 nan 0.000 0.454 396 C N 0.708 120.105 119.300 0.162 0.000 2.448 396 C HA 0.185 4.653 4.460 0.014 0.000 0.280 396 C C 2.453 177.459 174.990 0.027 0.000 1.398 396 C CA -0.351 58.727 59.018 0.100 0.000 1.774 396 C CB -1.394 26.405 27.740 0.099 0.000 1.888 396 C HN 0.295 nan 8.230 nan 0.000 0.519 397 V N 0.850 120.791 119.914 0.045 0.000 3.052 397 V HA 0.000 4.128 4.120 0.014 0.000 0.254 397 V C 2.589 178.724 176.094 0.068 0.000 1.100 397 V CA 1.635 63.949 62.300 0.024 0.000 1.112 397 V CB -0.491 31.346 31.823 0.022 0.000 0.738 397 V HN 0.575 nan 8.190 nan 0.000 0.469 398 K N -0.229 120.233 120.400 0.103 0.000 2.242 398 K HA 0.137 4.466 4.320 0.014 0.000 0.200 398 K C 0.457 177.187 176.600 0.216 0.000 1.050 398 K CA 0.378 56.755 56.287 0.151 0.000 0.981 398 K CB 0.332 32.910 32.500 0.130 0.000 0.795 398 K HN 0.425 nan 8.250 nan 0.000 0.477 399 E N 1.667 121.967 120.200 0.167 0.000 2.204 399 E HA 0.075 4.433 4.350 0.014 0.000 0.276 399 E C -0.974 175.631 176.600 0.008 0.000 0.974 399 E CA -0.390 56.121 56.400 0.185 0.000 0.815 399 E CB 1.780 31.618 29.700 0.229 0.000 1.119 399 E HN 0.110 nan 8.360 nan 0.000 0.393 400 E N 3.112 123.344 120.200 0.052 0.000 2.265 400 E HA 0.031 4.390 4.350 0.014 0.000 0.272 400 E C 0.375 176.872 176.600 -0.171 0.000 1.067 400 E CA -0.056 56.287 56.400 -0.095 0.000 0.900 400 E CB 0.350 29.989 29.700 -0.102 0.000 1.017 400 E HN 0.506 nan 8.360 nan 0.000 0.431 401 I N 4.198 124.606 120.570 -0.269 0.000 2.429 401 I HA -0.050 4.129 4.170 0.014 0.000 0.247 401 I C 0.471 176.614 176.117 0.043 0.000 1.099 401 I CA 0.133 61.169 61.300 -0.440 0.000 1.422 401 I CB 0.036 37.757 38.000 -0.466 0.000 1.112 401 I HN 0.697 nan 8.210 nan 0.000 0.430 402 F N 1.493 121.382 119.950 -0.102 0.000 3.056 402 F HA -0.150 4.385 4.527 0.013 0.000 0.301 402 F C 0.331 176.180 175.800 0.082 0.000 0.907 402 F CA 0.575 58.586 58.000 0.017 0.000 1.113 402 F CB -1.315 37.739 39.000 0.090 0.000 1.123 402 F HN 0.169 nan 8.300 nan 0.000 0.661 403 G N -0.461 108.368 108.800 0.049 0.000 2.727 403 G HA2 0.692 4.660 3.960 0.014 0.000 0.289 403 G HA3 0.692 4.660 3.960 0.014 0.000 0.289 403 G C -3.156 171.769 174.900 0.042 0.000 1.418 403 G CA -0.923 44.212 45.100 0.059 0.000 0.818 403 G HN -0.138 nan 8.290 nan 0.000 0.486 404 P HA 0.358 nan 4.420 nan 0.000 0.238 404 P C -0.744 176.731 177.300 0.292 0.000 1.794 404 P CA -0.241 63.020 63.100 0.269 0.000 1.088 404 P CB 0.649 32.523 31.700 0.291 0.000 1.923 405 V N 4.554 124.554 119.914 0.143 0.000 2.445 405 V HA 0.276 4.404 4.120 0.014 0.000 0.283 405 V C 0.237 176.324 176.094 -0.010 0.000 1.014 405 V CA -0.537 61.820 62.300 0.095 0.000 0.852 405 V CB 1.824 33.672 31.823 0.043 0.000 1.021 405 V HN 0.429 nan 8.190 nan 0.000 0.435 406 M N 3.663 123.260 119.600 -0.005 0.000 2.120 406 M HA 0.415 4.903 4.480 0.014 0.000 0.354 406 M C -0.172 176.095 176.300 -0.054 0.000 1.287 406 M CA 0.323 55.559 55.300 -0.107 0.000 1.103 406 M CB 0.863 33.377 32.600 -0.144 0.000 1.623 406 M HN 0.573 nan 8.290 nan 0.000 0.471 407 S N 4.460 120.101 115.700 -0.097 0.000 2.422 407 S HA 0.484 4.962 4.470 0.014 0.000 0.298 407 S C -0.556 173.958 174.600 -0.143 0.000 1.118 407 S CA -0.795 57.348 58.200 -0.095 0.000 1.083 407 S CB 1.007 64.143 63.200 -0.107 0.000 0.971 407 S HN 0.599 nan 8.310 nan 0.000 0.478 408 V N 5.185 125.043 119.914 -0.094 0.000 2.435 408 V HA 0.580 4.708 4.120 0.014 0.000 0.290 408 V C -0.545 175.473 176.094 -0.126 0.000 1.030 408 V CA -0.669 61.568 62.300 -0.104 0.000 0.881 408 V CB 1.071 32.913 31.823 0.031 0.000 0.983 408 V HN 0.671 nan 8.190 nan 0.000 0.445 409 L N 6.838 127.947 121.223 -0.191 0.000 2.409 409 L HA 0.669 5.017 4.340 0.014 0.000 0.262 409 L C -2.571 174.313 176.870 0.024 0.000 0.992 409 L CA -1.459 53.317 54.840 -0.106 0.000 0.817 409 L CB 2.713 44.659 42.059 -0.190 0.000 1.350 409 L HN 0.418 nan 8.230 nan 0.000 0.411 410 P HA 0.504 nan 4.420 nan 0.000 0.282 410 P C -1.418 176.010 177.300 0.213 0.000 1.259 410 P CA -0.386 62.754 63.100 0.067 0.000 0.826 410 P CB 1.405 33.112 31.700 0.013 0.000 1.064 411 F N -1.206 118.752 119.950 0.013 0.000 2.645 411 F HA 0.529 5.065 4.527 0.014 0.000 0.310 411 F C -0.074 175.713 175.800 -0.022 0.000 1.102 411 F CA -0.817 57.185 58.000 0.003 0.000 0.952 411 F CB 0.814 39.795 39.000 -0.032 0.000 1.326 411 F HN 0.077 nan 8.300 nan 0.000 0.456 412 D N -0.062 120.435 120.400 0.161 0.000 2.525 412 D HA 0.087 4.735 4.640 0.014 0.000 0.248 412 D C 0.493 176.897 176.300 0.173 0.000 1.000 412 D CA 1.399 55.421 54.000 0.036 0.000 0.923 412 D CB 0.919 41.746 40.800 0.045 0.000 1.101 412 D HN 0.688 nan 8.370 nan 0.000 0.493 413 T N -2.092 112.661 114.554 0.331 0.000 2.916 413 T HA 0.306 4.664 4.350 0.014 0.000 0.292 413 T C 0.787 175.686 174.700 0.332 0.000 1.064 413 T CA -0.742 61.540 62.100 0.305 0.000 1.011 413 T CB 3.126 72.091 68.868 0.162 0.000 1.152 413 T HN -0.150 nan 8.240 nan 0.000 0.510 414 E N 0.342 120.738 120.200 0.327 0.000 2.047 414 E HA -0.209 4.149 4.350 0.014 0.000 0.191 414 E C 1.744 178.388 176.600 0.072 0.000 0.987 414 E CA 1.477 58.040 56.400 0.273 0.000 0.799 414 E CB -0.046 29.801 29.700 0.245 0.000 0.752 414 E HN 0.857 nan 8.360 nan 0.000 0.449 415 E N 0.601 120.838 120.200 0.062 0.000 2.077 415 E HA -0.258 4.100 4.350 0.014 0.000 0.193 415 E C 2.094 178.683 176.600 -0.019 0.000 0.989 415 E CA 1.357 57.766 56.400 0.015 0.000 0.800 415 E CB -0.086 29.629 29.700 0.025 0.000 0.746 415 E HN 0.313 nan 8.360 nan 0.000 0.452 416 E N 0.257 120.456 120.200 -0.001 0.000 2.017 416 E HA -0.191 4.168 4.350 0.014 0.000 0.193 416 E C 2.202 178.708 176.600 -0.157 0.000 0.997 416 E CA 2.163 58.544 56.400 -0.032 0.000 0.804 416 E CB -0.023 29.701 29.700 0.039 0.000 0.757 416 E HN 0.293 nan 8.360 nan 0.000 0.448 417 V N 0.728 120.464 119.914 -0.298 0.000 2.332 417 V HA -0.265 3.863 4.120 0.014 0.000 0.248 417 V C 2.734 178.504 176.094 -0.540 0.000 1.055 417 V CA 1.601 63.501 62.300 -0.667 0.000 1.038 417 V CB -0.972 30.108 31.823 -1.238 0.000 0.651 417 V HN 0.227 nan 8.190 nan 0.000 0.450 418 L N 0.815 121.847 121.223 -0.319 0.000 2.042 418 L HA -0.275 4.073 4.340 0.014 0.000 0.210 418 L C 2.980 179.748 176.870 -0.169 0.000 1.076 418 L CA 2.396 57.112 54.840 -0.206 0.000 0.749 418 L CB -0.581 41.418 42.059 -0.101 0.000 0.893 418 L HN 0.582 nan 8.230 nan 0.000 0.432 419 Q N -0.105 119.612 119.800 -0.138 0.000 2.079 419 Q HA -0.195 4.153 4.340 0.014 0.000 0.200 419 Q C 2.074 178.011 176.000 -0.105 0.000 0.974 419 Q CA 1.364 57.113 55.803 -0.090 0.000 0.840 419 Q CB -0.342 28.365 28.738 -0.052 0.000 0.898 419 Q HN 0.307 nan 8.270 nan 0.000 0.430 420 R N 0.601 120.995 120.500 -0.176 0.000 2.092 420 R HA 0.076 4.425 4.340 0.014 0.000 0.231 420 R C 2.474 178.682 176.300 -0.154 0.000 1.119 420 R CA 1.168 57.184 56.100 -0.141 0.000 0.970 420 R CB -0.578 29.630 30.300 -0.153 0.000 0.864 420 R HN 0.428 nan 8.270 nan 0.000 0.440 421 A N 1.673 124.279 122.820 -0.357 0.000 1.902 421 A HA -0.158 4.170 4.320 0.014 0.000 0.217 421 A C 1.605 179.173 177.584 -0.026 0.000 1.181 421 A CA 1.519 53.440 52.037 -0.193 0.000 0.623 421 A CB -0.339 18.494 19.000 -0.279 0.000 0.818 421 A HN 0.233 nan 8.150 nan 0.000 0.443 422 N N -0.072 118.604 118.700 -0.040 0.000 2.467 422 N HA -0.051 4.697 4.740 0.014 0.000 0.184 422 N C 0.385 175.914 175.510 0.031 0.000 1.106 422 N CA 0.208 53.264 53.050 0.010 0.000 0.892 422 N CB -0.577 37.910 38.487 0.000 0.000 0.969 422 N HN 0.640 nan 8.380 nan 0.000 0.454 423 N N 0.905 119.622 118.700 0.028 0.000 3.178 423 N HA -0.004 4.744 4.740 0.014 0.000 0.300 423 N C -0.822 174.727 175.510 0.064 0.000 1.242 423 N CA 0.117 53.191 53.050 0.039 0.000 1.192 423 N CB 0.167 38.673 38.487 0.033 0.000 1.463 423 N HN -0.036 nan 8.380 nan 0.000 0.539 424 T N -1.227 113.368 114.554 0.068 0.000 2.769 424 T HA 0.085 4.443 4.350 0.014 0.000 0.306 424 T C 0.554 175.278 174.700 0.040 0.000 1.400 424 T CA -0.460 61.687 62.100 0.079 0.000 1.007 424 T CB 1.601 70.573 68.868 0.174 0.000 1.392 424 T HN 0.026 nan 8.240 nan 0.000 0.500 425 T N 1.158 115.687 114.554 -0.043 0.000 3.065 425 T HA 0.352 4.711 4.350 0.014 0.000 0.252 425 T C 0.186 174.853 174.700 -0.054 0.000 1.099 425 T CA 0.153 62.199 62.100 -0.090 0.000 1.063 425 T CB -0.413 68.344 68.868 -0.185 0.000 0.948 425 T HN 0.370 nan 8.240 nan 0.000 0.506 426 F N 0.738 120.719 119.950 0.052 0.000 2.399 426 F HA 0.565 5.100 4.527 0.013 0.000 0.313 426 F C 1.515 177.351 175.800 0.061 0.000 1.202 426 F CA -0.477 57.556 58.000 0.054 0.000 1.192 426 F CB 0.875 39.908 39.000 0.055 0.000 1.256 426 F HN -0.007 nan 8.300 nan 0.000 0.558 427 G N 1.133 110.105 108.800 0.287 0.000 5.153 427 G HA2 0.187 4.155 3.960 0.014 0.000 0.213 427 G HA3 0.187 4.155 3.960 0.014 0.000 0.213 427 G C -0.019 174.924 174.900 0.072 0.000 1.576 427 G CA -0.279 44.916 45.100 0.160 0.000 0.640 427 G HN 0.561 nan 8.290 nan 0.000 0.237 428 L N 0.733 121.994 121.223 0.065 0.000 2.022 428 L HA 0.787 5.136 4.340 0.014 0.000 0.204 428 L C 1.331 178.187 176.870 -0.025 0.000 1.076 428 L CA 2.416 57.264 54.840 0.013 0.000 0.749 428 L CB -0.200 41.892 42.059 0.056 0.000 0.903 428 L HN 0.453 nan 8.230 nan 0.000 0.439 429 A N -2.275 120.556 122.820 0.019 0.000 2.475 429 A HA 0.848 5.177 4.320 0.014 0.000 0.281 429 A C -0.691 176.904 177.584 0.019 0.000 1.263 429 A CA 0.207 52.228 52.037 -0.026 0.000 0.776 429 A CB 1.130 20.165 19.000 0.058 0.000 1.347 429 A HN 0.429 nan 8.150 nan 0.000 0.443 430 S N -2.400 113.301 115.700 0.002 0.000 2.669 430 S HA 0.835 5.314 4.470 0.014 0.000 0.266 430 S C -0.361 174.365 174.600 0.210 0.000 1.149 430 S CA -0.129 58.156 58.200 0.140 0.000 0.842 430 S CB 0.713 63.934 63.200 0.035 0.000 1.160 430 S HN 2.473 nan 8.310 nan 0.000 0.487 431 G N -1.035 107.948 108.800 0.305 0.000 2.623 431 G HA2 0.703 4.671 3.960 0.014 0.000 0.290 431 G HA3 0.703 4.671 3.960 0.014 0.000 0.290 431 G C -1.974 173.062 174.900 0.227 0.000 1.437 431 G CA -0.185 45.095 45.100 0.300 0.000 0.798 431 G HN 1.649 nan 8.290 nan 0.000 0.488 432 V N -0.243 119.754 119.914 0.139 0.000 2.851 432 V HA 0.782 4.911 4.120 0.014 0.000 0.307 432 V C -1.792 174.336 176.094 0.057 0.000 1.129 432 V CA -0.991 61.417 62.300 0.179 0.000 0.932 432 V CB 1.665 33.577 31.823 0.148 0.000 1.024 432 V HN 0.621 nan 8.190 nan 0.000 0.426 433 F N 4.707 124.783 119.950 0.210 0.000 2.402 433 F HA 0.827 5.363 4.527 0.016 0.000 0.355 433 F C 0.395 176.336 175.800 0.236 0.000 1.123 433 F CA -0.037 58.072 58.000 0.181 0.000 1.021 433 F CB 1.974 41.063 39.000 0.148 0.000 1.160 433 F HN 0.625 nan 8.300 nan 0.000 0.451 434 T N 2.697 117.393 114.554 0.238 0.000 2.827 434 T HA 0.298 4.656 4.350 0.014 0.000 0.328 434 T C 0.259 174.991 174.700 0.052 0.000 1.598 434 T CA -0.621 61.572 62.100 0.156 0.000 1.043 434 T CB 1.376 70.258 68.868 0.023 0.000 1.447 434 T HN 0.559 nan 8.240 nan 0.000 0.491 435 R N 0.868 121.390 120.500 0.037 0.000 2.254 435 R HA 0.187 4.535 4.340 0.014 0.000 0.193 435 R C -0.076 176.214 176.300 -0.017 0.000 0.929 435 R CA 0.081 56.191 56.100 0.017 0.000 1.038 435 R CB -0.157 30.167 30.300 0.040 0.000 1.009 435 R HN 0.672 nan 8.270 nan 0.000 0.512 436 D N 1.091 121.467 120.400 -0.041 0.000 2.383 436 D HA -0.015 4.633 4.640 0.014 0.000 0.252 436 D C 1.381 177.643 176.300 -0.063 0.000 1.166 436 D CA -0.009 53.961 54.000 -0.051 0.000 0.879 436 D CB 0.812 41.569 40.800 -0.072 0.000 1.164 436 D HN -0.004 nan 8.370 nan 0.000 0.462 437 I N 2.803 123.357 120.570 -0.026 0.000 2.226 437 I HA -0.257 3.921 4.170 0.014 0.000 0.245 437 I C 1.579 177.721 176.117 0.041 0.000 1.100 437 I CA 1.122 62.425 61.300 0.005 0.000 1.374 437 I CB 0.095 38.132 38.000 0.061 0.000 1.057 437 I HN 0.357 nan 8.210 nan 0.000 0.413 438 S N 0.643 116.357 115.700 0.023 0.000 2.368 438 S HA -0.189 4.289 4.470 0.014 0.000 0.224 438 S C 1.996 176.581 174.600 -0.025 0.000 1.029 438 S CA 1.458 59.674 58.200 0.027 0.000 0.988 438 S CB -0.370 62.832 63.200 0.003 0.000 0.838 438 S HN 0.461 nan 8.310 nan 0.000 0.462 439 R N 1.460 121.903 120.500 -0.094 0.000 2.070 439 R HA -0.079 4.269 4.340 0.014 0.000 0.233 439 R C 2.406 178.599 176.300 -0.178 0.000 1.137 439 R CA 1.404 57.396 56.100 -0.180 0.000 0.945 439 R CB -0.623 29.487 30.300 -0.316 0.000 0.845 439 R HN 0.342 nan 8.270 nan 0.000 0.430 440 A N 0.773 123.480 122.820 -0.190 0.000 1.884 440 A HA -0.245 4.083 4.320 0.014 0.000 0.219 440 A C 1.999 179.442 177.584 -0.234 0.000 1.197 440 A CA 1.894 53.791 52.037 -0.234 0.000 0.637 440 A CB -1.006 17.793 19.000 -0.335 0.000 0.827 440 A HN 0.522 nan 8.150 nan 0.000 0.450 441 H N -1.363 117.674 119.070 -0.054 0.000 2.428 441 H HA -0.029 4.535 4.556 0.014 0.000 0.296 441 H C 2.261 177.564 175.328 -0.041 0.000 1.062 441 H CA 1.511 57.533 56.048 -0.044 0.000 1.350 441 H CB -0.162 29.578 29.762 -0.037 0.000 1.403 441 H HN 0.605 nan 8.280 nan 0.000 0.533 442 R N 0.896 121.432 120.500 0.060 0.000 2.075 442 R HA -0.073 4.275 4.340 0.014 0.000 0.232 442 R C 2.151 178.450 176.300 -0.001 0.000 1.126 442 R CA 1.026 57.138 56.100 0.019 0.000 0.963 442 R CB -0.162 30.135 30.300 -0.005 0.000 0.858 442 R HN -0.003 nan 8.270 nan 0.000 0.435 443 V N 1.340 121.240 119.914 -0.024 0.000 2.343 443 V HA -0.223 3.905 4.120 0.014 0.000 0.247 443 V C 2.521 178.612 176.094 -0.005 0.000 1.051 443 V CA 1.937 64.233 62.300 -0.006 0.000 1.036 443 V CB -0.678 31.157 31.823 0.019 0.000 0.654 443 V HN 0.572 nan 8.190 nan 0.000 0.451 444 A N -0.090 122.721 122.820 -0.015 0.000 1.908 444 A HA -0.157 4.171 4.320 0.014 0.000 0.218 444 A C 2.397 179.974 177.584 -0.013 0.000 1.181 444 A CA 2.175 54.197 52.037 -0.025 0.000 0.627 444 A CB -0.749 18.235 19.000 -0.027 0.000 0.818 444 A HN 0.590 nan 8.150 nan 0.000 0.445 445 A N -0.114 122.713 122.820 0.012 0.000 1.969 445 A HA -0.136 4.192 4.320 0.014 0.000 0.218 445 A C 1.788 179.382 177.584 0.016 0.000 1.169 445 A CA 1.617 53.665 52.037 0.018 0.000 0.635 445 A CB -0.435 18.580 19.000 0.026 0.000 0.810 445 A HN 0.537 nan 8.150 nan 0.000 0.445 446 N N -0.550 118.155 118.700 0.008 0.000 2.422 446 N HA 0.077 4.826 4.740 0.014 0.000 0.181 446 N C -0.207 175.304 175.510 0.002 0.000 1.080 446 N CA 0.102 53.157 53.050 0.007 0.000 0.893 446 N CB -0.130 38.356 38.487 -0.001 0.000 0.973 446 N HN 0.237 nan 8.380 nan 0.000 0.456 447 L N 1.967 123.182 121.223 -0.012 0.000 2.367 447 L HA 0.088 4.437 4.340 0.014 0.000 0.275 447 L C 0.485 177.342 176.870 -0.022 0.000 1.129 447 L CA 0.111 54.936 54.840 -0.025 0.000 0.839 447 L CB 0.152 42.187 42.059 -0.040 0.000 1.133 447 L HN 0.029 nan 8.230 nan 0.000 0.453 448 E N 3.767 123.973 120.200 0.010 0.000 1.964 448 E HA 0.516 4.874 4.350 0.014 0.000 0.264 448 E C -0.514 176.071 176.600 -0.025 0.000 1.120 448 E CA -0.207 56.240 56.400 0.078 0.000 1.061 448 E CB 0.481 30.259 29.700 0.131 0.000 1.190 448 E HN 0.645 nan 8.360 nan 0.000 0.459 449 A N 0.211 122.804 122.820 -0.378 0.000 2.606 449 A HA 0.603 4.931 4.320 0.014 0.000 0.293 449 A C 0.989 177.909 177.584 -1.106 0.000 1.082 449 A CA -0.399 51.311 52.037 -0.544 0.000 0.685 449 A CB 1.084 19.943 19.000 -0.235 0.000 1.284 449 A HN 0.433 nan 8.150 nan 0.000 0.408 450 G N -0.356 107.952 108.800 -0.820 0.000 2.448 450 G HA2 0.293 4.261 3.960 0.014 0.000 0.219 450 G HA3 0.293 4.261 3.960 0.014 0.000 0.219 450 G C 0.502 175.185 174.900 -0.363 0.000 1.127 450 G CA 1.769 46.527 45.100 -0.571 0.000 0.766 450 G HN 0.900 nan 8.290 nan 0.000 0.552 451 T N -1.011 113.343 114.554 -0.333 0.000 2.916 451 T HA 0.443 4.802 4.350 0.014 0.000 0.298 451 T C -1.358 173.074 174.700 -0.446 0.000 1.031 451 T CA -0.529 61.353 62.100 -0.363 0.000 0.993 451 T CB 2.189 70.828 68.868 -0.382 0.000 1.045 451 T HN 0.096 nan 8.240 nan 0.000 0.454 452 C N 4.249 123.277 119.300 -0.453 0.000 2.482 452 C HA 0.756 5.224 4.460 0.014 0.000 0.317 452 C C -1.513 173.212 174.990 -0.442 0.000 1.197 452 C CA -0.809 57.978 59.018 -0.385 0.000 1.432 452 C CB -0.578 27.044 27.740 -0.196 0.000 2.062 452 C HN 0.893 nan 8.230 nan 0.000 0.471 453 Y N 5.361 125.540 120.300 -0.203 0.000 2.320 453 Y HA 0.617 5.176 4.550 0.015 0.000 0.334 453 Y C 0.552 176.327 175.900 -0.209 0.000 1.055 453 Y CA -0.738 57.225 58.100 -0.230 0.000 1.143 453 Y CB 0.765 39.019 38.460 -0.343 0.000 1.193 453 Y HN 0.486 nan 8.280 nan 0.000 0.477 454 I N 3.645 124.166 120.570 -0.081 0.000 2.354 454 I HA 0.216 4.394 4.170 0.014 0.000 0.286 454 I C -0.228 175.705 176.117 -0.306 0.000 1.007 454 I CA -0.419 60.763 61.300 -0.196 0.000 1.167 454 I CB 0.568 38.458 38.000 -0.183 0.000 1.320 454 I HN 0.822 nan 8.210 nan 0.000 0.458 455 N N 2.550 120.852 118.700 -0.663 0.000 2.780 455 N HA -0.179 4.569 4.740 0.014 0.000 0.248 455 N C -0.175 174.985 175.510 -0.584 0.000 1.102 455 N CA 0.970 53.481 53.050 -0.898 0.000 0.697 455 N CB -0.365 37.933 38.487 -0.315 0.000 1.028 455 N HN 0.752 nan 8.380 nan 0.000 0.554 456 T N -1.814 112.423 114.554 -0.528 0.000 2.661 456 T HA 0.548 4.906 4.350 0.014 0.000 0.303 456 T C -2.388 172.352 174.700 0.067 0.000 1.658 456 T CA -0.506 61.583 62.100 -0.017 0.000 0.974 456 T CB 1.061 69.902 68.868 -0.044 0.000 1.857 456 T HN 0.179 nan 8.240 nan 0.000 0.475 457 Y N -0.152 120.020 120.300 -0.213 0.000 2.592 457 Y HA 0.486 5.046 4.550 0.016 0.000 0.334 457 Y C 0.530 175.968 175.900 -0.771 0.000 1.136 457 Y CA 0.381 58.146 58.100 -0.558 0.000 1.042 457 Y CB 1.936 40.297 38.460 -0.165 0.000 1.325 457 Y HN 0.852 nan 8.280 nan 0.000 0.457 458 S N 1.606 116.571 115.700 -1.224 0.000 3.361 458 S HA -0.159 4.319 4.470 0.014 0.000 0.288 458 S C -0.402 173.956 174.600 -0.403 0.000 1.269 458 S CA 0.646 58.527 58.200 -0.530 0.000 0.976 458 S CB -1.274 61.847 63.200 -0.130 0.000 1.162 458 S HN 0.424 nan 8.310 nan 0.000 0.643 459 I N 1.757 122.057 120.570 -0.449 0.000 2.575 459 I HA 0.305 4.483 4.170 0.014 0.000 0.285 459 I C 0.847 176.938 176.117 -0.044 0.000 1.085 459 I CA 0.156 61.363 61.300 -0.154 0.000 1.403 459 I CB 1.108 39.068 38.000 -0.066 0.000 1.409 459 I HN 0.106 nan 8.210 nan 0.000 0.557 460 S N 6.165 121.831 115.700 -0.057 0.000 2.112 460 S HA 0.354 4.833 4.470 0.014 0.000 0.151 460 S C -2.273 172.278 174.600 -0.082 0.000 1.723 460 S CA -0.868 57.294 58.200 -0.063 0.000 1.263 460 S CB 0.438 63.628 63.200 -0.017 0.000 1.194 460 S HN 0.456 nan 8.310 nan 0.000 0.419 461 P HA 0.124 nan 4.420 nan 0.000 0.271 461 P C 1.241 178.384 177.300 -0.261 0.000 1.220 461 P CA -0.511 62.502 63.100 -0.144 0.000 0.768 461 P CB 0.635 32.269 31.700 -0.109 0.000 0.848 462 V N 1.072 120.781 119.914 -0.342 0.000 2.594 462 V HA -0.236 3.892 4.120 0.014 0.000 0.253 462 V C 1.541 177.162 176.094 -0.788 0.000 1.069 462 V CA 1.574 63.519 62.300 -0.591 0.000 1.082 462 V CB -1.502 29.901 31.823 -0.699 0.000 0.680 462 V HN 0.370 nan 8.190 nan 0.000 0.469 463 E N 1.164 121.035 120.200 -0.548 0.000 2.338 463 E HA 0.047 4.405 4.350 0.014 0.000 0.197 463 E C 0.721 177.198 176.600 -0.205 0.000 1.007 463 E CA 0.969 57.133 56.400 -0.394 0.000 0.849 463 E CB -0.120 29.494 29.700 -0.143 0.000 0.774 463 E HN 0.823 nan 8.360 nan 0.000 0.506 464 V N -2.890 116.912 119.914 -0.186 0.000 2.864 464 V HA 0.591 4.719 4.120 0.014 0.000 0.314 464 V C -2.814 173.242 176.094 -0.064 0.000 1.073 464 V CA -3.180 59.071 62.300 -0.081 0.000 0.956 464 V CB 2.065 33.853 31.823 -0.058 0.000 1.023 464 V HN -0.250 nan 8.190 nan 0.000 0.435 465 P HA 0.449 nan 4.420 nan 0.000 0.274 465 P C -1.305 176.050 177.300 0.092 0.000 1.237 465 P CA 0.004 63.135 63.100 0.052 0.000 0.793 465 P CB 0.429 32.180 31.700 0.086 0.000 0.977 466 F N 0.933 120.839 119.950 -0.073 0.000 2.585 466 F HA 0.715 5.249 4.527 0.011 0.000 0.319 466 F C -0.438 175.341 175.800 -0.036 0.000 1.165 466 F CA 0.030 57.986 58.000 -0.075 0.000 0.949 466 F CB 1.526 40.465 39.000 -0.102 0.000 1.218 466 F HN 0.611 nan 8.300 nan 0.000 0.453 467 G N 2.443 110.733 108.800 -0.850 0.000 2.340 467 G HA2 0.489 4.457 3.960 0.014 0.000 0.299 467 G HA3 0.489 4.457 3.960 0.014 0.000 0.299 467 G C -1.351 173.278 174.900 -0.451 0.000 1.291 467 G CA -0.230 44.368 45.100 -0.837 0.000 0.841 467 G HN 1.042 nan 8.290 nan 0.000 0.500 468 G N -1.628 107.024 108.800 -0.248 0.000 2.491 468 G HA2 0.604 4.573 3.960 0.014 0.000 0.327 468 G HA3 0.604 4.573 3.960 0.014 0.000 0.327 468 G C -1.381 173.635 174.900 0.194 0.000 1.189 468 G CA -0.434 44.633 45.100 -0.055 0.000 0.956 468 G HN 0.393 nan 8.290 nan 0.000 0.491 469 Y N 0.059 120.346 120.300 -0.021 0.000 2.568 469 Y HA 0.440 4.996 4.550 0.011 0.000 0.327 469 Y C 1.357 177.281 175.900 0.041 0.000 1.163 469 Y CA -1.274 56.835 58.100 0.015 0.000 1.219 469 Y CB 1.625 40.093 38.460 0.014 0.000 1.308 469 Y HN 0.840 nan 8.280 nan 0.000 0.503 470 K N -0.304 120.199 120.400 0.172 0.000 1.931 470 K HA -0.326 4.002 4.320 0.014 0.000 0.126 470 K C 0.830 177.490 176.600 0.099 0.000 1.372 470 K CA 2.076 58.429 56.287 0.109 0.000 0.483 470 K CB -1.015 31.552 32.500 0.112 0.000 0.562 470 K HN 0.662 nan 8.250 nan 0.000 0.923 471 M N 1.032 120.673 119.600 0.069 0.000 2.628 471 M HA 0.009 4.497 4.480 0.014 0.000 0.232 471 M C 0.886 177.241 176.300 0.092 0.000 1.128 471 M CA 0.620 55.942 55.300 0.037 0.000 1.040 471 M CB 0.121 32.687 32.600 -0.056 0.000 1.608 471 M HN 0.288 nan 8.290 nan 0.000 0.507 472 S N 0.482 116.270 115.700 0.147 0.000 2.593 472 S HA 0.336 4.814 4.470 0.014 0.000 0.217 472 S C 0.913 175.523 174.600 0.017 0.000 0.966 472 S CA 0.426 58.715 58.200 0.148 0.000 0.914 472 S CB 0.070 63.363 63.200 0.154 0.000 0.776 472 S HN 0.783 nan 8.310 nan 0.000 0.523 473 G N 1.368 110.149 108.800 -0.031 0.000 2.409 473 G HA2 0.115 4.083 3.960 0.014 0.000 0.421 473 G HA3 0.115 4.083 3.960 0.014 0.000 0.421 473 G C -1.120 173.698 174.900 -0.137 0.000 1.259 473 G CA -0.552 44.410 45.100 -0.231 0.000 1.011 473 G HN 0.525 nan 8.290 nan 0.000 0.497 474 F N -2.072 117.836 119.950 -0.071 0.000 2.686 474 F HA 0.916 5.451 4.527 0.012 0.000 0.311 474 F C 0.574 176.233 175.800 -0.235 0.000 1.128 474 F CA -0.421 57.510 58.000 -0.115 0.000 0.946 474 F CB 1.220 40.173 39.000 -0.079 0.000 1.336 474 F HN 2.510 nan 8.300 nan 0.000 0.457 475 G N 1.270 110.006 108.800 -0.107 0.000 2.699 475 G HA2 0.315 4.283 3.960 0.014 0.000 0.686 475 G HA3 0.315 4.283 3.960 0.014 0.000 0.686 475 G C -1.592 172.977 174.900 -0.552 0.000 1.301 475 G CA -1.171 43.471 45.100 -0.764 0.000 0.816 475 G HN 0.798 nan 8.290 nan 0.000 0.595 476 R N 0.050 120.173 120.500 -0.628 0.000 2.912 476 R HA 0.838 5.186 4.340 0.014 0.000 0.262 476 R C -0.516 175.769 176.300 -0.024 0.000 1.057 476 R CA -0.914 55.081 56.100 -0.176 0.000 0.981 476 R CB 1.768 32.102 30.300 0.057 0.000 1.201 476 R HN 0.701 nan 8.270 nan 0.000 0.484 477 E N 0.745 120.979 120.200 0.057 0.000 2.317 477 E HA 0.424 4.782 4.350 0.014 0.000 0.270 477 E C -1.130 175.473 176.600 0.005 0.000 0.885 477 E CA -0.520 55.934 56.400 0.090 0.000 0.760 477 E CB 1.241 31.031 29.700 0.149 0.000 1.227 477 E HN 0.490 nan 8.360 nan 0.000 0.434 478 N N 0.652 119.337 118.700 -0.025 0.000 5.488 478 N HA -0.131 4.618 4.740 0.014 0.000 0.373 478 N C 0.087 175.626 175.510 0.048 0.000 1.258 478 N CA 1.351 54.338 53.050 -0.105 0.000 2.561 478 N CB -0.810 37.403 38.487 -0.456 0.000 0.565 478 N HN 0.993 nan 8.380 nan 0.000 0.714 479 G N -0.362 108.375 108.800 -0.105 0.000 2.782 479 G HA2 -0.267 3.701 3.960 0.014 0.000 0.228 479 G HA3 -0.267 3.701 3.960 0.014 0.000 0.228 479 G C 0.459 175.534 174.900 0.291 0.000 1.372 479 G CA 0.652 45.782 45.100 0.052 0.000 0.862 479 G HN 0.707 nan 8.290 nan 0.000 0.547 480 Q N -0.242 119.699 119.800 0.234 0.000 2.331 480 Q HA 0.304 4.652 4.340 0.014 0.000 0.203 480 Q C 3.023 179.145 176.000 0.203 0.000 0.944 480 Q CA 1.401 57.332 55.803 0.215 0.000 0.892 480 Q CB -0.020 28.796 28.738 0.129 0.000 0.983 480 Q HN 1.011 nan 8.270 nan 0.000 0.482 481 A N 0.849 123.782 122.820 0.189 0.000 1.972 481 A HA -0.154 4.174 4.320 0.014 0.000 0.219 481 A C 2.154 179.884 177.584 0.244 0.000 1.169 481 A CA 1.608 53.752 52.037 0.177 0.000 0.635 481 A CB -0.763 18.354 19.000 0.195 0.000 0.810 481 A HN 0.270 nan 8.150 nan 0.000 0.446 482 T N 0.116 114.881 114.554 0.352 0.000 2.849 482 T HA -0.139 4.219 4.350 0.014 0.000 0.270 482 T C 1.940 176.872 174.700 0.386 0.000 1.066 482 T CA 1.578 63.953 62.100 0.458 0.000 1.130 482 T CB -0.750 68.352 68.868 0.390 0.000 0.864 482 T HN 0.703 nan 8.240 nan 0.000 0.481 483 V N 1.395 121.480 119.914 0.285 0.000 2.469 483 V HA -0.177 3.951 4.120 0.014 0.000 0.251 483 V C 1.769 177.930 176.094 0.112 0.000 1.064 483 V CA 1.944 64.369 62.300 0.208 0.000 1.066 483 V CB -0.646 31.284 31.823 0.179 0.000 0.667 483 V HN 0.268 nan 8.190 nan 0.000 0.461 484 D N -0.489 119.891 120.400 -0.032 0.000 2.310 484 D HA -0.090 4.559 4.640 0.014 0.000 0.212 484 D C 1.677 177.766 176.300 -0.351 0.000 0.965 484 D CA 1.430 55.299 54.000 -0.218 0.000 0.879 484 D CB -0.249 40.346 40.800 -0.342 0.000 0.921 484 D HN 0.717 nan 8.370 nan 0.000 0.510 485 Y N -1.547 118.776 120.300 0.038 0.000 2.466 485 Y HA 0.067 4.630 4.550 0.021 0.000 0.272 485 Y C 0.791 176.519 175.900 -0.285 0.000 1.169 485 Y CA 0.222 58.264 58.100 -0.097 0.000 1.285 485 Y CB 0.065 38.436 38.460 -0.148 0.000 1.078 485 Y HN -0.032 nan 8.280 nan 0.000 0.523 486 Y N -0.748 119.607 120.300 0.092 0.000 2.641 486 Y HA 0.302 4.857 4.550 0.009 0.000 0.248 486 Y C 0.442 176.342 175.900 0.001 0.000 1.170 486 Y CA -0.669 57.453 58.100 0.035 0.000 1.201 486 Y CB 0.543 39.017 38.460 0.024 0.000 1.232 486 Y HN -0.059 nan 8.280 nan 0.000 0.537 487 S N -0.107 115.642 115.700 0.082 0.000 2.625 487 S HA 0.744 5.222 4.470 0.014 0.000 0.271 487 S C -1.320 173.280 174.600 -0.000 0.000 1.161 487 S CA -0.990 57.237 58.200 0.045 0.000 0.820 487 S CB 2.539 65.778 63.200 0.064 0.000 1.137 487 S HN 0.173 nan 8.310 nan 0.000 0.470 488 Q N 0.503 120.306 119.800 0.006 0.000 2.379 488 Q HA 0.679 5.027 4.340 0.014 0.000 0.278 488 Q C -1.664 174.348 176.000 0.020 0.000 1.068 488 Q CA -1.060 54.750 55.803 0.012 0.000 0.816 488 Q CB 1.616 30.364 28.738 0.016 0.000 1.387 488 Q HN 0.673 nan 8.270 nan 0.000 0.413 489 L N 1.900 123.133 121.223 0.016 0.000 2.289 489 L HA 0.512 4.860 4.340 0.014 0.000 0.285 489 L C -0.226 176.649 176.870 0.008 0.000 1.049 489 L CA -0.585 54.264 54.840 0.015 0.000 0.804 489 L CB 1.325 43.388 42.059 0.006 0.000 1.195 489 L HN 0.620 nan 8.230 nan 0.000 0.428 490 K N 2.157 122.561 120.400 0.006 0.000 2.235 490 K HA 0.391 4.720 4.320 0.014 0.000 0.266 490 K C -0.859 175.703 176.600 -0.063 0.000 0.980 490 K CA -0.452 55.823 56.287 -0.019 0.000 0.849 490 K CB 1.371 33.867 32.500 -0.008 0.000 1.098 490 K HN 0.478 nan 8.250 nan 0.000 0.445 491 T N 3.275 117.774 114.554 -0.091 0.000 2.771 491 T HA 0.259 4.617 4.350 0.014 0.000 0.291 491 T C -0.739 173.818 174.700 -0.238 0.000 0.954 491 T CA -0.489 61.525 62.100 -0.144 0.000 1.045 491 T CB 0.989 69.795 68.868 -0.103 0.000 0.917 491 T HN 0.301 nan 8.240 nan 0.000 0.484 492 V N 5.698 125.357 119.914 -0.425 0.000 2.378 492 V HA 0.468 4.596 4.120 0.014 0.000 0.288 492 V C -0.168 175.612 176.094 -0.523 0.000 1.016 492 V CA -0.765 61.187 62.300 -0.579 0.000 0.840 492 V CB 1.320 32.508 31.823 -1.058 0.000 0.994 492 V HN 0.797 nan 8.190 nan 0.000 0.431 493 I N 5.430 125.794 120.570 -0.343 0.000 2.339 493 I HA 0.483 4.661 4.170 0.014 0.000 0.290 493 I C -0.360 175.576 176.117 -0.303 0.000 0.994 493 I CA -0.715 60.410 61.300 -0.292 0.000 1.191 493 I CB 1.943 39.832 38.000 -0.186 0.000 1.343 493 I HN 0.451 nan 8.210 nan 0.000 0.458 494 V N 6.156 125.812 119.914 -0.430 0.000 2.378 494 V HA 0.446 4.574 4.120 0.014 0.000 0.288 494 V C -0.302 175.631 176.094 -0.268 0.000 1.016 494 V CA -0.419 61.643 62.300 -0.398 0.000 0.840 494 V CB 1.591 33.088 31.823 -0.544 0.000 0.994 494 V HN 0.773 nan 8.190 nan 0.000 0.431 495 E N 6.270 126.389 120.200 -0.136 0.000 2.257 495 E HA 0.266 4.624 4.350 0.014 0.000 0.278 495 E C 0.535 177.126 176.600 -0.016 0.000 1.049 495 E CA -0.102 56.261 56.400 -0.061 0.000 0.876 495 E CB 1.286 30.961 29.700 -0.042 0.000 1.035 495 E HN 0.731 nan 8.360 nan 0.000 0.419 496 M N 2.962 122.579 119.600 0.028 0.000 2.541 496 M HA 0.221 4.710 4.480 0.014 0.000 0.252 496 M C 0.874 177.203 176.300 0.048 0.000 1.125 496 M CA 0.547 55.890 55.300 0.070 0.000 1.091 496 M CB -0.023 32.651 32.600 0.125 0.000 1.420 496 M HN 0.555 nan 8.290 nan 0.000 0.486 497 G N -0.602 108.216 108.800 0.029 0.000 3.286 497 G HA2 0.319 4.287 3.960 0.014 0.000 0.166 497 G HA3 0.319 4.287 3.960 0.014 0.000 0.166 497 G C -0.959 173.949 174.900 0.013 0.000 1.155 497 G CA -0.386 44.727 45.100 0.022 0.000 0.871 497 G HN 0.103 nan 8.290 nan 0.000 0.637 498 D N -0.100 120.306 120.400 0.009 0.000 2.312 498 D HA 0.428 5.076 4.640 0.014 0.000 0.248 498 D C 0.168 176.468 176.300 0.001 0.000 1.086 498 D CA -0.180 53.823 54.000 0.005 0.000 0.948 498 D CB 2.026 42.829 40.800 0.005 0.000 1.162 498 D HN 0.028 nan 8.370 nan 0.000 0.446 499 V N 1.844 121.759 119.914 0.001 0.000 2.555 499 V HA 0.016 4.144 4.120 0.014 0.000 0.286 499 V C 0.346 176.437 176.094 -0.006 0.000 1.044 499 V CA -0.309 61.990 62.300 -0.001 0.000 1.026 499 V CB 0.793 32.619 31.823 0.006 0.000 0.981 499 V HN 0.347 nan 8.190 nan 0.000 0.480 500 D N 3.293 123.685 120.400 -0.013 0.000 2.339 500 D HA 0.278 4.926 4.640 0.014 0.000 0.256 500 D C -0.034 176.245 176.300 -0.034 0.000 1.214 500 D CA 0.469 54.454 54.000 -0.026 0.000 0.877 500 D CB 1.496 42.278 40.800 -0.030 0.000 1.111 500 D HN 0.527 nan 8.370 nan 0.000 0.478 501 S N 1.989 117.659 115.700 -0.049 0.000 2.548 501 S HA 0.393 4.871 4.470 0.014 0.000 0.286 501 S C 0.819 175.312 174.600 -0.179 0.000 1.098 501 S CA -0.701 57.456 58.200 -0.071 0.000 0.930 501 S CB 1.051 64.252 63.200 0.002 0.000 1.070 501 S HN 0.365 nan 8.310 nan 0.000 0.480 502 L N 2.902 123.883 121.223 -0.403 0.000 2.585 502 L HA 0.368 4.716 4.340 0.014 0.000 0.226 502 L C -0.636 175.830 176.870 -0.673 0.000 1.113 502 L CA 0.310 54.776 54.840 -0.624 0.000 0.876 502 L CB -0.061 41.451 42.059 -0.912 0.000 1.072 502 L HN 0.472 nan 8.230 nan 0.000 0.468 503 F N 0.000 119.945 119.950 -0.008 0.000 2.286 503 F HA 0.000 4.535 4.527 0.013 0.000 0.279 503 F CA 0.000 57.996 58.000 -0.007 0.000 1.383 503 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 503 F HN 0.000 nan 8.300 nan 0.000 0.574