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 2g39_1_B DATA FIRST_RESID 4 DATA SEQUENCE DRVRLPSLLD KVXSAAEAAD LIQDGXTVGX SGFTRAGEAK AVPQALAXRA DATA SEQUENCE KERPLRISLX TGASLGNDLD KQLTEAGVLA RRXPFQVDST LRKAINAGEV DATA SEQUENCE XFIDQHLSET VEQLRNHQLK LPDIAVIEAA AITEQGHIVP TTSVGNSASF DATA SEQUENCE AIFAKQVIVE INLAHSTNLE GLHDIYIPTY RPTRTPIPLT RVDDRIGSTA DATA SEQUENCE IPIPPEKIVA IVINDQPDSP STVLPPDGET QAIANHLIDF FKREVDAGRX DATA SEQUENCE SNSLGPLQAG IGSIANAVXC GLIESPFENL TXYSEVLQDS TFDLIDAGKL DATA SEQUENCE RFASGSSITL SPRRNADVFG NLERYKDKLV LRPQEISNHP EVVRRLGIIG DATA SEQUENCE INTALEFDIY GNVNSTHVGG TKXXNGIGGS GDFARNAHLA IFVTKSIAKG DATA SEQUENCE GNISSVVPXV SHVDHTEHDV DILVTEQGLA DLRGLAPRER ARVIIENCVH DATA SEQUENCE PSYQAPLLDY FEAACAKGGH TPHLLREALA WHLNLEERGH XLAG 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.309 176.300 0.015 0.000 2.045 4 D CA 0.000 54.007 54.000 0.012 0.000 0.868 4 D CB 0.000 40.807 40.800 0.012 0.000 0.688 5 R N -0.909 119.602 120.500 0.019 0.000 1.354 5 R HA -0.196 4.144 4.340 0.000 0.000 0.055 5 R C 0.003 176.314 176.300 0.018 0.000 0.949 5 R CA 1.661 57.774 56.100 0.021 0.000 1.971 5 R CB -1.383 28.930 30.300 0.022 0.000 0.284 5 R HN 0.186 nan 8.270 nan 0.000 0.723 6 V N 3.102 123.024 119.914 0.014 0.000 2.239 6 V HA 0.242 4.363 4.120 0.000 0.000 0.267 6 V C 1.082 177.180 176.094 0.007 0.000 1.056 6 V CA -0.154 62.153 62.300 0.012 0.000 0.830 6 V CB 1.077 32.907 31.823 0.012 0.000 1.090 6 V HN 0.253 nan 8.190 nan 0.000 0.459 7 R N 2.139 122.642 120.500 0.004 0.000 2.313 7 R HA 0.147 4.487 4.340 0.000 0.000 0.199 7 R C 0.162 176.456 176.300 -0.009 0.000 0.958 7 R CA 0.103 56.203 56.100 -0.002 0.000 1.047 7 R CB 0.270 30.569 30.300 -0.002 0.000 0.955 7 R HN 0.420 nan 8.270 nan 0.000 0.481 8 L N 1.800 123.017 121.223 -0.010 0.000 2.297 8 L HA 0.333 4.673 4.340 0.000 0.000 0.277 8 L C -2.149 174.719 176.870 -0.004 0.000 1.040 8 L CA -2.670 52.162 54.840 -0.013 0.000 0.867 8 L CB 1.655 43.703 42.059 -0.019 0.000 1.244 8 L HN -0.204 nan 8.230 nan 0.000 0.433 9 P HA -0.157 nan 4.420 nan 0.000 0.218 9 P C 1.509 178.810 177.300 0.002 0.000 1.148 9 P CA 1.534 64.633 63.100 0.000 0.000 0.822 9 P CB 0.231 31.930 31.700 -0.001 0.000 0.784 10 S N -1.105 114.595 115.700 0.001 0.000 2.469 10 S HA -0.106 4.364 4.470 0.000 0.000 0.238 10 S C 1.792 176.395 174.600 0.006 0.000 0.998 10 S CA 0.904 59.106 58.200 0.003 0.000 0.957 10 S CB -1.501 61.700 63.200 0.002 0.000 0.764 10 S HN 0.126 nan 8.310 nan 0.000 0.514 11 L N 0.431 121.658 121.223 0.006 0.000 2.313 11 L HA 0.158 4.498 4.340 0.000 0.000 0.214 11 L C 2.269 179.145 176.870 0.010 0.000 1.119 11 L CA 0.456 55.302 54.840 0.010 0.000 0.809 11 L CB -0.473 41.593 42.059 0.012 0.000 0.933 11 L HN 0.319 nan 8.230 nan 0.000 0.449 12 L N -0.277 120.951 121.223 0.008 0.000 2.187 12 L HA -0.277 4.063 4.340 0.000 0.000 0.213 12 L C 1.976 178.851 176.870 0.008 0.000 1.100 12 L CA 1.047 55.891 54.840 0.008 0.000 0.765 12 L CB -0.597 41.466 42.059 0.006 0.000 0.904 12 L HN 0.300 nan 8.230 nan 0.000 0.437 13 D N 0.326 120.730 120.400 0.008 0.000 2.170 13 D HA -0.224 4.416 4.640 0.000 0.000 0.193 13 D C 1.840 178.145 176.300 0.009 0.000 1.004 13 D CA 1.353 55.358 54.000 0.008 0.000 0.860 13 D CB 0.184 40.989 40.800 0.008 0.000 0.931 13 D HN 0.046 nan 8.370 nan 0.000 0.448 14 K N -0.261 120.145 120.400 0.011 0.000 2.374 14 K HA 0.147 4.467 4.320 0.000 0.000 0.196 14 K C 0.276 176.883 176.600 0.012 0.000 1.023 14 K CA -0.116 56.178 56.287 0.012 0.000 1.103 14 K CB 0.335 32.843 32.500 0.015 0.000 0.848 14 K HN 0.107 nan 8.250 nan 0.000 0.528 18 A N 1.625 124.449 122.820 0.007 0.000 1.908 18 A HA 0.229 4.549 4.320 0.000 0.000 0.218 18 A C 2.391 179.979 177.584 0.007 0.000 1.181 18 A CA 2.594 54.636 52.037 0.008 0.000 0.627 18 A CB -1.691 17.314 19.000 0.008 0.000 0.818 18 A HN 1.884 nan 8.150 nan 0.000 0.445 19 A N -0.490 122.333 122.820 0.005 0.000 1.908 19 A HA -0.213 4.108 4.320 0.000 0.000 0.218 19 A C 1.946 179.533 177.584 0.005 0.000 1.181 19 A CA 1.909 53.949 52.037 0.004 0.000 0.627 19 A CB -0.575 18.427 19.000 0.003 0.000 0.818 19 A HN 0.638 nan 8.150 nan 0.000 0.445 20 E N -0.512 119.691 120.200 0.005 0.000 2.051 20 E HA -0.090 4.260 4.350 0.000 0.000 0.192 20 E C 2.334 178.938 176.600 0.007 0.000 0.991 20 E CA 1.101 57.504 56.400 0.006 0.000 0.799 20 E CB -0.275 29.428 29.700 0.006 0.000 0.748 20 E HN 0.614 nan 8.360 nan 0.000 0.449 21 A N 1.099 123.924 122.820 0.008 0.000 1.898 21 A HA -0.098 4.222 4.320 0.000 0.000 0.216 21 A C 2.360 179.949 177.584 0.009 0.000 1.181 21 A CA 1.620 53.663 52.037 0.010 0.000 0.620 21 A CB -0.703 18.304 19.000 0.012 0.000 0.819 21 A HN 0.310 nan 8.150 nan 0.000 0.442 22 A N -0.185 122.640 122.820 0.007 0.000 2.024 22 A HA -0.186 4.134 4.320 0.000 0.000 0.220 22 A C 1.656 179.242 177.584 0.004 0.000 1.164 22 A CA 1.869 53.910 52.037 0.005 0.000 0.643 22 A CB -0.559 18.444 19.000 0.005 0.000 0.806 22 A HN 0.436 nan 8.150 nan 0.000 0.451 23 D N -0.145 120.257 120.400 0.004 0.000 2.310 23 D HA -0.058 4.582 4.640 0.000 0.000 0.212 23 D C 1.725 178.027 176.300 0.003 0.000 0.965 23 D CA 0.632 54.633 54.000 0.003 0.000 0.879 23 D CB -0.162 40.639 40.800 0.003 0.000 0.921 23 D HN 0.506 nan 8.370 nan 0.000 0.510 24 L N 0.221 121.447 121.223 0.005 0.000 2.217 24 L HA 0.024 4.364 4.340 0.000 0.000 0.211 24 L C 0.943 177.815 176.870 0.003 0.000 1.107 24 L CA 0.261 55.104 54.840 0.005 0.000 0.783 24 L CB -0.136 41.928 42.059 0.008 0.000 0.919 24 L HN -0.076 nan 8.230 nan 0.000 0.442 25 I N 0.872 121.443 120.570 0.001 0.000 2.517 25 I HA -0.007 4.163 4.170 0.000 0.000 0.285 25 I C 0.127 176.242 176.117 -0.003 0.000 1.106 25 I CA 0.409 61.708 61.300 -0.002 0.000 1.402 25 I CB 0.333 38.331 38.000 -0.004 0.000 1.399 25 I HN 0.230 nan 8.210 nan 0.000 0.535 26 Q N 4.079 123.876 119.800 -0.004 0.000 2.301 26 Q HA 0.259 4.599 4.340 0.000 0.000 0.267 26 Q C -0.717 175.280 176.000 -0.006 0.000 1.035 26 Q CA -1.087 54.714 55.803 -0.004 0.000 0.856 26 Q CB 2.049 30.785 28.738 -0.002 0.000 1.337 26 Q HN 0.463 nan 8.270 nan 0.000 0.450 27 D N 0.553 120.950 120.400 -0.005 0.000 2.571 27 D HA 0.240 4.880 4.640 0.000 0.000 0.231 27 D C 0.395 176.690 176.300 -0.007 0.000 1.133 27 D CA 2.348 56.345 54.000 -0.006 0.000 0.862 27 D CB 0.287 41.084 40.800 -0.005 0.000 1.179 27 D HN 0.701 nan 8.370 nan 0.000 0.474 31 V N 2.508 122.356 119.914 -0.111 0.000 2.417 31 V HA 0.864 4.984 4.120 0.000 0.000 0.291 31 V C 0.813 176.741 176.094 -0.277 0.000 1.024 31 V CA -0.306 61.913 62.300 -0.135 0.000 0.861 31 V CB 1.754 33.530 31.823 -0.079 0.000 0.985 31 V HN 1.085 nan 8.190 nan 0.000 0.436 35 G N 0.419 109.328 108.800 0.182 0.000 2.621 35 G HA2 0.403 4.363 3.960 0.000 0.000 0.355 35 G HA3 0.403 4.363 3.960 0.000 0.000 0.355 35 G C -1.513 173.520 174.900 0.222 0.000 1.509 35 G CA -0.742 44.462 45.100 0.174 0.000 1.000 35 G HN 1.566 nan 8.290 nan 0.000 0.646 36 F N 3.721 123.719 119.950 0.080 0.000 2.745 36 F HA 0.503 5.030 4.527 0.000 0.000 0.343 36 F C 1.041 176.883 175.800 0.070 0.000 1.196 36 F CA 0.524 58.567 58.000 0.072 0.000 1.021 36 F CB 1.746 40.768 39.000 0.037 0.000 1.297 36 F HN 1.535 nan 8.300 nan 0.000 0.486 37 T N 2.916 117.482 114.554 0.020 0.000 3.433 37 T HA -0.298 4.053 4.350 0.000 0.000 0.412 37 T C 0.609 175.401 174.700 0.154 0.000 0.768 37 T CA 1.462 63.631 62.100 0.116 0.000 2.077 37 T CB -1.462 67.498 68.868 0.154 0.000 1.700 37 T HN 1.121 nan 8.240 nan 0.000 0.666 38 R N -2.709 117.866 120.500 0.126 0.000 3.746 38 R HA -0.189 4.152 4.340 0.000 0.000 0.465 38 R C 0.655 177.027 176.300 0.120 0.000 0.725 38 R CA 1.621 57.788 56.100 0.111 0.000 1.545 38 R CB -2.214 28.144 30.300 0.097 0.000 2.197 38 R HN 1.495 nan 8.270 nan 0.000 0.438 39 A N 0.680 123.587 122.820 0.146 0.000 2.274 39 A HA 0.566 4.886 4.320 0.000 0.000 0.309 39 A C 1.316 178.960 177.584 0.099 0.000 1.226 39 A CA 0.556 52.663 52.037 0.116 0.000 0.853 39 A CB 1.129 20.202 19.000 0.123 0.000 1.146 39 A HN 0.859 nan 8.150 nan 0.000 0.518 40 G N 1.596 110.426 108.800 0.049 0.000 2.143 40 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 40 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 40 G C 0.137 175.077 174.900 0.067 0.000 0.991 40 G CA 0.458 45.563 45.100 0.008 0.000 0.689 40 G HN 1.269 nan 8.290 nan 0.000 0.522 41 E N 0.292 120.550 120.200 0.097 0.000 2.383 41 E HA 0.599 4.949 4.350 0.000 0.000 0.264 41 E C 0.708 177.359 176.600 0.084 0.000 1.050 41 E CA -0.280 56.178 56.400 0.097 0.000 0.896 41 E CB 1.101 30.857 29.700 0.093 0.000 0.982 41 E HN 0.997 nan 8.360 nan 0.000 0.424 42 A N 2.565 125.432 122.820 0.078 0.000 2.466 42 A HA 0.087 4.408 4.320 0.000 0.000 0.238 42 A C 0.347 177.962 177.584 0.053 0.000 1.074 42 A CA 0.098 52.172 52.037 0.062 0.000 0.774 42 A CB 0.416 19.450 19.000 0.057 0.000 1.015 42 A HN 0.820 nan 8.150 nan 0.000 0.498 43 K N 1.014 121.439 120.400 0.041 0.000 2.509 43 K HA 0.264 4.585 4.320 0.000 0.000 0.205 43 K C 2.134 178.747 176.600 0.021 0.000 1.336 43 K CA 0.597 56.903 56.287 0.031 0.000 0.912 43 K CB -0.014 32.502 32.500 0.028 0.000 1.568 43 K HN 0.632 nan 8.250 nan 0.000 0.475 44 A N 1.490 124.321 122.820 0.018 0.000 1.877 44 A HA -0.100 4.220 4.320 0.000 0.000 0.216 44 A C 2.297 179.889 177.584 0.013 0.000 1.186 44 A CA 1.573 53.618 52.037 0.012 0.000 0.620 44 A CB -0.817 18.189 19.000 0.010 0.000 0.822 44 A HN 0.046 nan 8.150 nan 0.000 0.443 45 V N 1.212 121.136 119.914 0.017 0.000 2.261 45 V HA -0.158 3.962 4.120 0.000 0.000 0.246 45 V C -0.041 176.061 176.094 0.013 0.000 1.047 45 V CA 2.460 64.769 62.300 0.015 0.000 1.015 45 V CB -1.577 30.257 31.823 0.018 0.000 0.642 45 V HN 0.476 nan 8.190 nan 0.000 0.446 46 P HA -0.215 nan 4.420 nan 0.000 0.217 46 P C 1.668 178.973 177.300 0.008 0.000 1.150 46 P CA 1.580 64.688 63.100 0.013 0.000 0.832 46 P CB -0.024 31.687 31.700 0.019 0.000 0.787 47 Q N 0.077 119.883 119.800 0.009 0.000 2.084 47 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 47 Q C 2.180 178.182 176.000 0.003 0.000 0.978 47 Q CA 1.925 57.731 55.803 0.005 0.000 0.844 47 Q CB -0.536 28.205 28.738 0.005 0.000 0.898 47 Q HN 0.117 nan 8.270 nan 0.000 0.426 48 A N 0.653 123.475 122.820 0.004 0.000 1.902 48 A HA -0.178 4.142 4.320 0.000 0.000 0.217 48 A C 1.979 179.564 177.584 0.002 0.000 1.181 48 A CA 1.208 53.247 52.037 0.003 0.000 0.623 48 A CB -0.760 18.243 19.000 0.004 0.000 0.818 48 A HN 0.470 nan 8.150 nan 0.000 0.443 49 L N -0.009 121.216 121.223 0.003 0.000 1.990 49 L HA -0.057 4.283 4.340 0.000 0.000 0.213 49 L C 1.860 178.730 176.870 -0.001 0.000 1.072 49 L CA 1.647 56.488 54.840 0.001 0.000 0.755 49 L CB -0.993 41.067 42.059 0.001 0.000 0.889 49 L HN 0.438 nan 8.230 nan 0.000 0.432 53 A N 3.201 126.019 122.820 -0.003 0.000 1.877 53 A HA -0.164 4.156 4.320 0.000 0.000 0.216 53 A C 1.907 179.488 177.584 -0.005 0.000 1.186 53 A CA 1.901 53.935 52.037 -0.004 0.000 0.620 53 A CB -0.412 18.585 19.000 -0.005 0.000 0.822 53 A HN 0.306 nan 8.150 nan 0.000 0.443 54 K N -0.164 120.234 120.400 -0.005 0.000 2.525 54 K HA -0.000 4.320 4.320 0.000 0.000 0.192 54 K C 1.244 177.841 176.600 -0.004 0.000 1.029 54 K CA 1.272 57.556 56.287 -0.005 0.000 1.029 54 K CB 0.144 32.640 32.500 -0.006 0.000 0.814 54 K HN 0.673 nan 8.250 nan 0.000 0.503 55 E N 1.455 121.653 120.200 -0.004 0.000 2.175 55 E HA 0.055 4.405 4.350 0.000 0.000 0.195 55 E C -0.029 176.569 176.600 -0.003 0.000 0.934 55 E CA 0.058 56.456 56.400 -0.003 0.000 0.870 55 E CB 0.696 30.395 29.700 -0.003 0.000 0.838 55 E HN 0.186 nan 8.360 nan 0.000 0.474 56 R N 1.899 122.397 120.500 -0.003 0.000 2.363 56 R HA 0.352 4.693 4.340 0.000 0.000 0.297 56 R C -2.623 173.675 176.300 -0.003 0.000 1.208 56 R CA -1.953 54.145 56.100 -0.003 0.000 1.121 56 R CB 1.499 31.798 30.300 -0.002 0.000 1.124 56 R HN 0.036 nan 8.270 nan 0.000 0.561 57 P HA -0.139 nan 4.420 nan 0.000 0.261 57 P C -0.610 176.688 177.300 -0.004 0.000 1.165 57 P CA 0.293 63.390 63.100 -0.004 0.000 0.759 57 P CB 0.402 32.099 31.700 -0.005 0.000 0.772 58 L N 2.864 124.084 121.223 -0.005 0.000 2.391 58 L HA 0.767 5.107 4.340 0.000 0.000 0.266 58 L C 0.038 176.904 176.870 -0.006 0.000 1.035 58 L CA -0.613 54.224 54.840 -0.005 0.000 0.877 58 L CB 0.318 42.373 42.059 -0.005 0.000 1.504 58 L HN 0.134 nan 8.230 nan 0.000 0.503 59 R N 1.035 121.531 120.500 -0.007 0.000 2.628 59 R HA 0.792 5.132 4.340 0.000 0.000 0.288 59 R C -0.880 175.415 176.300 -0.009 0.000 0.980 59 R CA -0.435 55.661 56.100 -0.007 0.000 0.891 59 R CB 2.245 32.541 30.300 -0.006 0.000 1.188 59 R HN 0.972 nan 8.270 nan 0.000 0.450 60 I N -2.500 118.064 120.570 -0.010 0.000 3.145 60 I HA 0.558 4.728 4.170 0.000 0.000 0.313 60 I C -0.408 175.701 176.117 -0.013 0.000 1.122 60 I CA -0.882 60.410 61.300 -0.014 0.000 0.987 60 I CB 2.500 40.489 38.000 -0.018 0.000 1.236 60 I HN 0.393 nan 8.210 nan 0.000 0.453 61 S N 3.279 118.967 115.700 -0.021 0.000 2.438 61 S HA 0.619 5.089 4.470 0.000 0.000 0.316 61 S C -0.693 173.886 174.600 -0.034 0.000 1.084 61 S CA -0.516 57.672 58.200 -0.019 0.000 1.107 61 S CB 0.727 63.912 63.200 -0.024 0.000 0.981 61 S HN 0.569 nan 8.310 nan 0.000 0.466 65 G N 0.537 109.530 108.800 0.321 0.000 2.454 65 G HA2 0.459 4.419 3.960 0.000 0.000 0.214 65 G HA3 0.459 4.419 3.960 0.000 0.000 0.214 65 G C 0.691 175.595 174.900 0.008 0.000 1.217 65 G CA 1.386 46.655 45.100 0.282 0.000 0.799 65 G HN 1.443 nan 8.290 nan 0.000 0.538 66 A N -0.918 121.745 122.820 -0.261 0.000 4.258 66 A HA 0.669 4.989 4.320 0.000 0.000 0.158 66 A C 0.383 177.970 177.584 0.004 0.000 0.780 66 A CA 0.665 52.479 52.037 -0.371 0.000 1.200 66 A CB -0.197 17.956 19.000 -1.412 0.000 2.104 66 A HN 0.970 nan 8.150 nan 0.000 0.922 67 S N -0.204 115.579 115.700 0.139 0.000 2.603 67 S HA 0.660 5.130 4.470 0.000 0.000 0.268 67 S C -0.341 174.313 174.600 0.089 0.000 1.317 67 S CA -0.261 58.049 58.200 0.183 0.000 1.012 67 S CB 0.297 63.660 63.200 0.273 0.000 0.926 67 S HN 0.611 nan 8.310 nan 0.000 0.539 68 L N 1.358 122.622 121.223 0.068 0.000 2.334 68 L HA 0.671 5.012 4.340 0.000 0.000 0.276 68 L C 0.960 177.858 176.870 0.047 0.000 1.014 68 L CA -0.862 54.014 54.840 0.060 0.000 0.815 68 L CB 1.733 43.821 42.059 0.047 0.000 1.268 68 L HN 0.948 nan 8.230 nan 0.000 0.428 69 G N -0.081 108.751 108.800 0.053 0.000 2.641 69 G HA2 0.242 4.202 3.960 0.000 0.000 0.239 69 G HA3 0.242 4.202 3.960 0.000 0.000 0.239 69 G C 0.091 175.008 174.900 0.029 0.000 1.402 69 G CA -0.616 44.509 45.100 0.041 0.000 1.046 69 G HN 0.862 nan 8.290 nan 0.000 0.565 70 N N -0.020 118.694 118.700 0.023 0.000 2.714 70 N HA -0.174 4.566 4.740 0.000 0.000 0.250 70 N C -0.277 175.237 175.510 0.007 0.000 1.117 70 N CA 0.770 53.829 53.050 0.015 0.000 0.719 70 N CB -0.561 37.938 38.487 0.018 0.000 1.081 70 N HN 0.562 nan 8.380 nan 0.000 0.557 71 D N -1.861 118.541 120.400 0.003 0.000 2.860 71 D HA -0.236 4.404 4.640 0.000 0.000 0.229 71 D C 1.023 177.319 176.300 -0.007 0.000 1.169 71 D CA 1.030 55.026 54.000 -0.007 0.000 0.737 71 D CB -1.060 39.734 40.800 -0.009 0.000 1.080 71 D HN 0.529 nan 8.370 nan 0.000 0.424 72 L N -0.000 121.223 121.223 0.000 0.000 2.027 72 L HA -0.155 4.185 4.340 0.000 0.000 0.206 72 L C 2.289 179.155 176.870 -0.007 0.000 1.074 72 L CA 1.180 56.021 54.840 0.002 0.000 0.745 72 L CB -0.225 41.843 42.059 0.015 0.000 0.898 72 L HN -0.040 nan 8.230 nan 0.000 0.433 73 D N 0.247 120.637 120.400 -0.016 0.000 2.123 73 D HA -0.222 4.419 4.640 0.000 0.000 0.196 73 D C 2.100 178.376 176.300 -0.040 0.000 0.992 73 D CA 1.257 55.237 54.000 -0.033 0.000 0.833 73 D CB -0.023 40.742 40.800 -0.058 0.000 0.954 73 D HN 0.267 nan 8.370 nan 0.000 0.455 74 K N 0.770 121.147 120.400 -0.039 0.000 2.032 74 K HA -0.205 4.115 4.320 0.000 0.000 0.209 74 K C 2.054 178.638 176.600 -0.028 0.000 1.048 74 K CA 1.330 57.594 56.287 -0.038 0.000 0.927 74 K CB 0.023 32.503 32.500 -0.033 0.000 0.712 74 K HN 0.114 nan 8.250 nan 0.000 0.441 75 Q N 0.429 120.217 119.800 -0.020 0.000 2.046 75 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 75 Q C 2.311 178.302 176.000 -0.014 0.000 0.975 75 Q CA 1.574 57.368 55.803 -0.015 0.000 0.836 75 Q CB -0.066 28.666 28.738 -0.009 0.000 0.896 75 Q HN 0.331 nan 8.270 nan 0.000 0.428 76 L N 0.001 121.216 121.223 -0.014 0.000 2.083 76 L HA -0.184 4.156 4.340 0.000 0.000 0.209 76 L C 2.394 179.253 176.870 -0.018 0.000 1.083 76 L CA 1.198 56.030 54.840 -0.013 0.000 0.752 76 L CB -0.623 41.430 42.059 -0.010 0.000 0.899 76 L HN 0.276 nan 8.230 nan 0.000 0.433 77 T N -0.805 113.734 114.554 -0.025 0.000 2.708 77 T HA -0.186 4.164 4.350 0.000 0.000 0.266 77 T C 1.721 176.406 174.700 -0.025 0.000 1.037 77 T CA 1.368 63.450 62.100 -0.030 0.000 1.146 77 T CB -0.186 68.655 68.868 -0.045 0.000 0.865 77 T HN 0.397 nan 8.240 nan 0.000 0.435 78 E N 1.196 121.381 120.200 -0.024 0.000 2.153 78 E HA -0.014 4.336 4.350 0.000 0.000 0.194 78 E C 2.318 178.908 176.600 -0.016 0.000 0.988 78 E CA 0.875 57.263 56.400 -0.020 0.000 0.811 78 E CB -0.166 29.522 29.700 -0.019 0.000 0.746 78 E HN 0.468 nan 8.360 nan 0.000 0.466 79 A N 0.439 123.251 122.820 -0.014 0.000 2.239 79 A HA 0.158 4.479 4.320 0.000 0.000 0.209 79 A C 1.742 179.320 177.584 -0.011 0.000 1.171 79 A CA 0.871 52.901 52.037 -0.011 0.000 0.768 79 A CB -0.444 18.550 19.000 -0.009 0.000 0.790 79 A HN 0.338 nan 8.150 nan 0.000 0.478 80 G N -1.766 107.026 108.800 -0.012 0.000 2.147 80 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 80 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 80 G C 0.784 175.679 174.900 -0.010 0.000 1.005 80 G CA 0.466 45.559 45.100 -0.011 0.000 0.713 80 G HN 0.664 nan 8.290 nan 0.000 0.515 81 V N 0.039 119.947 119.914 -0.010 0.000 2.719 81 V HA 0.155 4.275 4.120 0.000 0.000 0.252 81 V C 1.693 177.782 176.094 -0.008 0.000 1.065 81 V CA 1.385 63.680 62.300 -0.008 0.000 1.086 81 V CB -0.080 31.738 31.823 -0.008 0.000 0.700 81 V HN 0.451 nan 8.190 nan 0.000 0.467 82 L N 0.472 121.691 121.223 -0.008 0.000 2.268 82 L HA 0.428 4.768 4.340 0.000 0.000 0.289 82 L C 1.237 178.106 176.870 -0.000 0.000 1.064 82 L CA -0.093 54.745 54.840 -0.004 0.000 0.824 82 L CB 1.011 43.066 42.059 -0.005 0.000 1.202 82 L HN 0.144 nan 8.230 nan 0.000 0.433 83 A N 4.688 127.509 122.820 0.002 0.000 1.911 83 A HA 0.174 4.495 4.320 0.000 0.000 0.212 83 A C 0.969 178.562 177.584 0.015 0.000 1.189 83 A CA 0.675 52.715 52.037 0.004 0.000 0.639 83 A CB 0.252 19.252 19.000 -0.000 0.000 0.839 83 A HN 0.695 nan 8.150 nan 0.000 0.449 84 R N -1.845 118.667 120.500 0.019 0.000 2.771 84 R HA 0.727 5.068 4.340 0.000 0.000 0.274 84 R C -0.789 175.545 176.300 0.057 0.000 0.987 84 R CA -0.816 55.306 56.100 0.037 0.000 0.908 84 R CB 1.822 32.133 30.300 0.018 0.000 1.213 84 R HN 0.300 nan 8.270 nan 0.000 0.468 88 F N 2.094 122.227 119.950 0.304 0.000 2.669 88 F HA 0.503 5.030 4.527 0.000 0.000 0.315 88 F C -2.084 173.789 175.800 0.122 0.000 1.109 88 F CA -0.175 57.987 58.000 0.271 0.000 1.028 88 F CB 1.885 40.922 39.000 0.062 0.000 1.287 88 F HN -0.043 nan 8.300 nan 0.000 0.452 89 Q N 3.596 123.108 119.800 -0.480 0.000 2.353 89 Q HA 0.750 5.091 4.340 0.000 0.000 0.275 89 Q C -2.280 173.410 176.000 -0.517 0.000 1.029 89 Q CA -1.027 54.556 55.803 -0.368 0.000 0.848 89 Q CB 2.378 30.873 28.738 -0.405 0.000 1.390 89 Q HN 0.405 nan 8.270 nan 0.000 0.401 90 V N 2.345 122.109 119.914 -0.251 0.000 2.439 90 V HA 0.630 4.750 4.120 0.000 0.000 0.277 90 V C -1.328 174.692 176.094 -0.122 0.000 1.008 90 V CA -0.279 61.911 62.300 -0.183 0.000 0.846 90 V CB 1.290 33.093 31.823 -0.034 0.000 1.031 90 V HN 0.892 nan 8.190 nan 0.000 0.441 91 D N 2.484 122.791 120.400 -0.154 0.000 2.521 91 D HA 0.080 4.721 4.640 0.000 0.000 0.195 91 D C 0.831 177.054 176.300 -0.129 0.000 1.286 91 D CA 0.398 54.328 54.000 -0.117 0.000 0.854 91 D CB 2.445 43.178 40.800 -0.112 0.000 1.723 91 D HN 0.437 nan 8.370 nan 0.000 0.550 92 S N 1.534 117.177 115.700 -0.094 0.000 2.436 92 S HA -0.089 4.381 4.470 0.000 0.000 0.228 92 S C 1.594 176.140 174.600 -0.090 0.000 1.014 92 S CA 1.276 59.420 58.200 -0.092 0.000 0.950 92 S CB 0.009 63.169 63.200 -0.066 0.000 0.784 92 S HN 0.445 nan 8.310 nan 0.000 0.504 93 T N 2.974 117.481 114.554 -0.079 0.000 2.737 93 T HA 0.059 4.409 4.350 0.000 0.000 0.265 93 T C 1.669 176.314 174.700 -0.092 0.000 1.038 93 T CA 1.306 63.362 62.100 -0.073 0.000 1.144 93 T CB -0.573 68.261 68.868 -0.056 0.000 0.866 93 T HN 0.293 nan 8.240 nan 0.000 0.434 94 L N 1.597 122.751 121.223 -0.114 0.000 2.017 94 L HA 0.030 4.370 4.340 0.000 0.000 0.208 94 L C 2.504 179.260 176.870 -0.190 0.000 1.073 94 L CA 1.758 56.510 54.840 -0.146 0.000 0.745 94 L CB -0.676 41.279 42.059 -0.172 0.000 0.894 94 L HN 0.071 nan 8.230 nan 0.000 0.432 95 R N -0.268 120.103 120.500 -0.216 0.000 2.103 95 R HA -0.253 4.087 4.340 0.000 0.000 0.242 95 R C 2.472 178.672 176.300 -0.165 0.000 1.142 95 R CA 2.103 58.061 56.100 -0.237 0.000 0.960 95 R CB -0.293 29.875 30.300 -0.219 0.000 0.858 95 R HN 0.434 nan 8.270 nan 0.000 0.439 96 K N -0.260 120.067 120.400 -0.123 0.000 2.057 96 K HA -0.137 4.183 4.320 0.000 0.000 0.207 96 K C 1.931 178.483 176.600 -0.079 0.000 1.049 96 K CA 1.472 57.706 56.287 -0.089 0.000 0.931 96 K CB -0.164 32.295 32.500 -0.070 0.000 0.714 96 K HN 0.266 nan 8.250 nan 0.000 0.440 97 A N 1.303 124.073 122.820 -0.083 0.000 1.902 97 A HA -0.136 4.184 4.320 0.000 0.000 0.217 97 A C 2.086 179.632 177.584 -0.063 0.000 1.181 97 A CA 1.432 53.430 52.037 -0.065 0.000 0.623 97 A CB -0.536 18.427 19.000 -0.062 0.000 0.818 97 A HN 0.341 nan 8.150 nan 0.000 0.443 98 I N -0.058 120.454 120.570 -0.096 0.000 2.179 98 I HA -0.303 3.867 4.170 0.000 0.000 0.242 98 I C 2.048 178.131 176.117 -0.057 0.000 1.088 98 I CA 1.801 63.053 61.300 -0.081 0.000 1.357 98 I CB -0.519 37.377 38.000 -0.173 0.000 1.051 98 I HN 0.417 nan 8.210 nan 0.000 0.409 99 N N 0.530 119.182 118.700 -0.081 0.000 2.453 99 N HA -0.070 4.670 4.740 0.000 0.000 0.183 99 N C 1.428 176.918 175.510 -0.035 0.000 1.041 99 N CA 0.822 53.837 53.050 -0.058 0.000 0.900 99 N CB -0.050 38.394 38.487 -0.073 0.000 0.961 99 N HN 0.323 nan 8.380 nan 0.000 0.443 100 A N 0.200 122.999 122.820 -0.034 0.000 2.275 100 A HA 0.398 4.719 4.320 0.000 0.000 0.212 100 A C 1.537 179.113 177.584 -0.013 0.000 1.201 100 A CA 0.395 52.418 52.037 -0.023 0.000 0.843 100 A CB -0.339 18.645 19.000 -0.025 0.000 0.873 100 A HN 0.250 nan 8.150 nan 0.000 0.492 101 G N -0.218 108.576 108.800 -0.010 0.000 2.179 101 G HA2 -0.307 3.654 3.960 0.000 0.000 0.257 101 G HA3 -0.307 3.654 3.960 0.000 0.000 0.257 101 G C 0.506 175.405 174.900 -0.001 0.000 1.010 101 G CA 0.827 45.927 45.100 0.000 0.000 0.736 101 G HN 0.632 nan 8.290 nan 0.000 0.513 102 E N -1.325 118.870 120.200 -0.009 0.000 2.250 102 E HA 0.284 4.635 4.350 0.000 0.000 0.192 102 E C 1.219 177.815 176.600 -0.006 0.000 0.986 102 E CA 0.858 57.251 56.400 -0.010 0.000 0.849 102 E CB 0.499 30.188 29.700 -0.018 0.000 0.797 102 E HN 0.438 nan 8.360 nan 0.000 0.482 106 I N 5.921 126.140 120.570 -0.586 0.000 2.420 106 I HA 0.289 4.460 4.170 0.000 0.000 0.282 106 I C -1.009 174.572 176.117 -0.894 0.000 1.019 106 I CA -0.527 60.423 61.300 -0.583 0.000 1.130 106 I CB 1.353 39.203 38.000 -0.250 0.000 1.262 106 I HN 0.405 nan 8.210 nan 0.000 0.454 107 D N 5.965 125.802 120.400 -0.938 0.000 2.295 107 D HA 0.260 4.901 4.640 0.000 0.000 0.248 107 D C -0.492 175.664 176.300 -0.240 0.000 1.154 107 D CA -0.457 53.215 54.000 -0.546 0.000 0.857 107 D CB 1.342 41.992 40.800 -0.250 0.000 1.117 107 D HN 0.452 nan 8.370 nan 0.000 0.468 108 Q N 1.052 120.778 119.800 -0.122 0.000 2.301 108 Q HA 0.280 4.620 4.340 0.000 0.000 0.267 108 Q C -0.629 175.364 176.000 -0.012 0.000 1.035 108 Q CA -0.907 54.840 55.803 -0.094 0.000 0.856 108 Q CB 1.823 30.546 28.738 -0.025 0.000 1.337 108 Q HN 0.531 nan 8.270 nan 0.000 0.450 109 H N 1.470 120.572 119.070 0.053 0.000 3.034 109 H HA -0.067 4.489 4.556 0.000 0.000 0.324 109 H C 0.850 176.216 175.328 0.064 0.000 1.015 109 H CA -0.006 56.081 56.048 0.066 0.000 1.429 109 H CB 0.630 30.411 29.762 0.032 0.000 1.429 109 H HN 0.517 nan 8.280 nan 0.000 0.585 110 L N 2.142 123.493 121.223 0.214 0.000 2.191 110 L HA -0.176 4.164 4.340 0.000 0.000 0.212 110 L C 2.353 179.304 176.870 0.135 0.000 1.103 110 L CA 1.393 56.339 54.840 0.176 0.000 0.769 110 L CB -0.370 41.819 42.059 0.217 0.000 0.908 110 L HN 0.684 nan 8.230 nan 0.000 0.438 111 S N -1.242 114.501 115.700 0.073 0.000 2.515 111 S HA -0.102 4.368 4.470 0.000 0.000 0.231 111 S C 1.526 176.137 174.600 0.017 0.000 0.987 111 S CA 0.580 58.788 58.200 0.013 0.000 0.936 111 S CB -0.060 63.076 63.200 -0.106 0.000 0.766 111 S HN 0.500 nan 8.310 nan 0.000 0.528 112 E N 0.705 120.940 120.200 0.058 0.000 2.276 112 E HA 0.014 4.364 4.350 0.000 0.000 0.193 112 E C 1.763 178.404 176.600 0.068 0.000 0.983 112 E CA 0.872 57.303 56.400 0.052 0.000 0.861 112 E CB -0.181 29.570 29.700 0.086 0.000 0.817 112 E HN 0.548 nan 8.360 nan 0.000 0.485 113 T N 1.640 116.250 114.554 0.093 0.000 2.624 113 T HA -0.202 4.148 4.350 0.000 0.000 0.268 113 T C 2.265 177.045 174.700 0.134 0.000 1.041 113 T CA 1.970 64.137 62.100 0.112 0.000 1.159 113 T CB -0.495 68.471 68.868 0.163 0.000 0.863 113 T HN 0.207 nan 8.240 nan 0.000 0.434 114 V N 0.575 120.585 119.914 0.160 0.000 2.626 114 V HA -0.051 4.069 4.120 0.000 0.000 0.252 114 V C 2.312 178.517 176.094 0.185 0.000 1.067 114 V CA 2.004 64.451 62.300 0.246 0.000 1.081 114 V CB -0.796 31.152 31.823 0.209 0.000 0.686 114 V HN 0.290 nan 8.190 nan 0.000 0.468 115 E N 0.997 121.260 120.200 0.104 0.000 2.072 115 E HA -0.205 4.145 4.350 0.000 0.000 0.191 115 E C 2.292 178.894 176.600 0.003 0.000 0.985 115 E CA 1.881 58.316 56.400 0.059 0.000 0.801 115 E CB -0.432 29.293 29.700 0.041 0.000 0.750 115 E HN 0.788 nan 8.360 nan 0.000 0.452 116 Q N -0.128 119.673 119.800 0.002 0.000 2.050 116 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 116 Q C 2.423 178.355 176.000 -0.113 0.000 0.980 116 Q CA 1.554 57.335 55.803 -0.036 0.000 0.840 116 Q CB -0.233 28.495 28.738 -0.016 0.000 0.898 116 Q HN 0.324 nan 8.270 nan 0.000 0.424 117 L N 0.660 121.799 121.223 -0.140 0.000 2.012 117 L HA -0.234 4.106 4.340 0.000 0.000 0.210 117 L C 2.677 179.197 176.870 -0.583 0.000 1.073 117 L CA 1.820 56.423 54.840 -0.394 0.000 0.748 117 L CB -0.497 41.267 42.059 -0.492 0.000 0.891 117 L HN 0.276 nan 8.230 nan 0.000 0.431 118 R N -0.290 119.996 120.500 -0.358 0.000 2.235 118 R HA -0.051 4.289 4.340 0.000 0.000 0.213 118 R C 0.742 176.776 176.300 -0.443 0.000 1.059 118 R CA 1.174 57.072 56.100 -0.337 0.000 0.997 118 R CB -0.285 29.972 30.300 -0.072 0.000 0.884 118 R HN 0.367 nan 8.270 nan 0.000 0.462 119 N N 0.884 119.396 118.700 -0.314 0.000 2.328 119 N HA 0.057 4.797 4.740 0.000 0.000 0.247 119 N C -0.751 174.715 175.510 -0.073 0.000 1.165 119 N CA -0.121 52.812 53.050 -0.195 0.000 0.873 119 N CB 0.324 38.772 38.487 -0.065 0.000 1.125 119 N HN 0.324 nan 8.380 nan 0.000 0.513 120 H N -0.394 118.596 119.070 -0.132 0.000 2.992 120 H HA -0.112 4.444 4.556 0.000 0.000 0.266 120 H C 0.226 175.501 175.328 -0.088 0.000 1.200 120 H CA 0.558 56.541 56.048 -0.109 0.000 1.135 120 H CB -1.049 28.666 29.762 -0.078 0.000 1.282 120 H HN 0.362 nan 8.280 nan 0.000 0.351 121 Q N -0.112 119.676 119.800 -0.021 0.000 2.282 121 Q HA 0.329 4.669 4.340 0.000 0.000 0.206 121 Q C 0.391 176.369 176.000 -0.037 0.000 0.878 121 Q CA 0.110 55.903 55.803 -0.017 0.000 0.944 121 Q CB 1.035 29.764 28.738 -0.016 0.000 1.100 121 Q HN 0.363 nan 8.270 nan 0.000 0.509 122 L N 0.058 121.240 121.223 -0.067 0.000 2.549 122 L HA 0.324 4.664 4.340 0.000 0.000 0.259 122 L C -0.971 175.841 176.870 -0.097 0.000 0.934 122 L CA -0.536 54.263 54.840 -0.068 0.000 0.865 122 L CB 2.011 44.034 42.059 -0.059 0.000 1.352 122 L HN -0.200 nan 8.230 nan 0.000 0.410 123 K N 3.885 124.241 120.400 -0.072 0.000 2.472 123 K HA 0.252 4.573 4.320 0.000 0.000 0.280 123 K C -0.595 175.940 176.600 -0.108 0.000 1.028 123 K CA -0.138 56.102 56.287 -0.077 0.000 1.045 123 K CB 0.284 32.753 32.500 -0.052 0.000 0.902 123 K HN 0.641 nan 8.250 nan 0.000 0.478 124 L N 6.706 127.849 121.223 -0.134 0.000 2.483 124 L HA 0.148 4.488 4.340 0.000 0.000 0.275 124 L C -1.688 175.140 176.870 -0.070 0.000 1.220 124 L CA -1.832 52.919 54.840 -0.147 0.000 0.833 124 L CB 0.156 42.128 42.059 -0.145 0.000 1.102 124 L HN 0.674 nan 8.230 nan 0.000 0.490 125 P HA 0.034 nan 4.420 nan 0.000 0.271 125 P C -0.599 176.698 177.300 -0.006 0.000 1.216 125 P CA -0.184 62.883 63.100 -0.056 0.000 0.776 125 P CB 0.909 32.553 31.700 -0.094 0.000 0.881 126 D N 1.527 121.914 120.400 -0.021 0.000 2.216 126 D HA 0.084 4.725 4.640 0.000 0.000 0.208 126 D C 0.719 177.024 176.300 0.009 0.000 0.960 126 D CA 1.122 55.122 54.000 -0.001 0.000 0.861 126 D CB 0.583 41.377 40.800 -0.009 0.000 0.985 126 D HN 0.322 nan 8.370 nan 0.000 0.493 127 I N 0.105 120.671 120.570 -0.007 0.000 2.619 127 I HA 0.429 4.599 4.170 0.000 0.000 0.292 127 I C -1.669 174.444 176.117 -0.007 0.000 1.100 127 I CA -0.778 60.524 61.300 0.003 0.000 1.043 127 I CB 2.079 40.078 38.000 -0.001 0.000 1.239 127 I HN -0.201 nan 8.210 nan 0.000 0.420 128 A N 6.706 129.542 122.820 0.027 0.000 2.317 128 A HA 0.775 5.096 4.320 0.000 0.000 0.327 128 A C -1.311 176.303 177.584 0.050 0.000 1.178 128 A CA -0.462 51.605 52.037 0.050 0.000 0.817 128 A CB 1.403 20.472 19.000 0.116 0.000 1.189 128 A HN 0.437 nan 8.150 nan 0.000 0.489 129 V N 4.528 124.476 119.914 0.057 0.000 2.349 129 V HA 0.385 4.505 4.120 0.000 0.000 0.284 129 V C -0.829 175.313 176.094 0.081 0.000 1.014 129 V CA -0.334 61.999 62.300 0.055 0.000 0.826 129 V CB 0.902 32.748 31.823 0.038 0.000 1.009 129 V HN 0.690 nan 8.190 nan 0.000 0.431 130 I N 3.473 124.084 120.570 0.069 0.000 2.447 130 I HA 0.435 4.605 4.170 0.000 0.000 0.287 130 I C 0.191 176.336 176.117 0.045 0.000 1.023 130 I CA -0.599 60.742 61.300 0.067 0.000 1.083 130 I CB 1.958 39.992 38.000 0.057 0.000 1.245 130 I HN 0.673 nan 8.210 nan 0.000 0.434 131 E N 4.475 124.702 120.200 0.045 0.000 2.338 131 E HA 0.589 4.940 4.350 0.000 0.000 0.272 131 E C -0.909 175.699 176.600 0.012 0.000 1.029 131 E CA -0.283 56.141 56.400 0.040 0.000 0.872 131 E CB 1.342 31.077 29.700 0.059 0.000 1.015 131 E HN 0.774 nan 8.360 nan 0.000 0.417 132 A N 2.879 125.712 122.820 0.022 0.000 2.475 132 A HA 0.634 4.955 4.320 0.000 0.000 0.301 132 A C 0.051 177.652 177.584 0.030 0.000 1.059 132 A CA 0.032 52.072 52.037 0.004 0.000 0.710 132 A CB 1.618 20.623 19.000 0.009 0.000 1.288 132 A HN 0.688 nan 8.150 nan 0.000 0.408 133 A N 0.564 123.398 122.820 0.024 0.000 1.975 133 A HA 0.624 4.944 4.320 0.000 0.000 0.215 133 A C 1.056 178.669 177.584 0.049 0.000 1.170 133 A CA 1.690 53.761 52.037 0.056 0.000 0.656 133 A CB -0.186 18.857 19.000 0.072 0.000 0.821 133 A HN 2.496 nan 8.150 nan 0.000 0.449 134 A N -1.415 121.428 122.820 0.038 0.000 2.601 134 A HA 0.640 4.960 4.320 0.000 0.000 0.291 134 A C -1.415 176.188 177.584 0.031 0.000 1.075 134 A CA -0.503 51.555 52.037 0.035 0.000 0.671 134 A CB 0.425 19.449 19.000 0.041 0.000 1.277 134 A HN 0.223 nan 8.150 nan 0.000 0.417 135 I N 1.890 122.477 120.570 0.028 0.000 2.406 135 I HA 0.409 4.579 4.170 0.000 0.000 0.290 135 I C 1.015 177.143 176.117 0.018 0.000 0.999 135 I CA -0.520 60.797 61.300 0.029 0.000 1.124 135 I CB 2.202 40.218 38.000 0.026 0.000 1.289 135 I HN 0.875 nan 8.210 nan 0.000 0.441 136 T N 0.869 115.433 114.554 0.016 0.000 2.766 136 T HA 0.117 4.467 4.350 0.000 0.000 0.295 136 T C 1.049 175.720 174.700 -0.048 0.000 1.024 136 T CA -0.289 61.803 62.100 -0.013 0.000 1.018 136 T CB 0.943 69.799 68.868 -0.020 0.000 1.002 136 T HN 0.661 nan 8.240 nan 0.000 0.532 137 E N 0.491 120.659 120.200 -0.052 0.000 2.208 137 E HA -0.236 4.114 4.350 0.000 0.000 0.202 137 E C 1.940 178.476 176.600 -0.107 0.000 1.014 137 E CA 1.737 58.100 56.400 -0.062 0.000 0.819 137 E CB -0.063 29.606 29.700 -0.051 0.000 0.735 137 E HN 0.720 nan 8.360 nan 0.000 0.469 138 Q N -1.161 118.519 119.800 -0.201 0.000 2.280 138 Q HA 0.172 4.512 4.340 0.000 0.000 0.201 138 Q C 0.923 176.723 176.000 -0.335 0.000 0.890 138 Q CA 0.385 55.980 55.803 -0.345 0.000 0.947 138 Q CB 1.112 29.467 28.738 -0.638 0.000 1.081 138 Q HN 0.305 nan 8.270 nan 0.000 0.502 139 G N 1.468 110.179 108.800 -0.148 0.000 2.147 139 G HA2 -0.278 3.683 3.960 0.000 0.000 0.244 139 G HA3 -0.278 3.683 3.960 0.000 0.000 0.244 139 G C -0.372 174.606 174.900 0.129 0.000 1.005 139 G CA 0.057 45.151 45.100 -0.009 0.000 0.713 139 G HN 0.572 nan 8.290 nan 0.000 0.515 140 H N -1.045 118.025 119.070 -0.000 0.000 2.483 140 H HA 0.594 5.151 4.556 0.000 0.000 0.338 140 H C 0.500 175.822 175.328 -0.009 0.000 1.152 140 H CA -0.928 55.116 56.048 -0.006 0.000 1.264 140 H CB 1.398 31.156 29.762 -0.006 0.000 1.510 140 H HN 0.184 nan 8.280 nan 0.000 0.530 141 I N 2.723 123.356 120.570 0.105 0.000 2.315 141 I HA 0.085 4.255 4.170 0.000 0.000 0.291 141 I C -0.363 175.749 176.117 -0.008 0.000 1.006 141 I CA -0.620 60.699 61.300 0.031 0.000 1.265 141 I CB 1.270 39.271 38.000 0.001 0.000 1.387 141 I HN 0.220 nan 8.210 nan 0.000 0.475 142 V N 9.071 128.978 119.914 -0.011 0.000 2.368 142 V HA 0.238 4.358 4.120 0.000 0.000 0.266 142 V C -1.917 174.092 176.094 -0.143 0.000 1.045 142 V CA -1.554 60.715 62.300 -0.052 0.000 0.899 142 V CB 0.680 32.526 31.823 0.038 0.000 1.006 142 V HN 0.570 nan 8.190 nan 0.000 0.470 143 P HA 0.258 nan 4.420 nan 0.000 0.275 143 P C 0.601 177.741 177.300 -0.266 0.000 1.270 143 P CA -0.144 62.739 63.100 -0.361 0.000 0.791 143 P CB 0.556 31.945 31.700 -0.518 0.000 1.089 144 T N -3.584 110.867 114.554 -0.172 0.000 2.507 144 T HA 0.072 4.423 4.350 0.000 0.000 0.180 144 T C 1.325 175.963 174.700 -0.103 0.000 0.681 144 T CA 0.964 62.942 62.100 -0.204 0.000 1.959 144 T CB -1.521 67.062 68.868 -0.476 0.000 2.896 144 T HN 0.432 nan 8.240 nan 0.000 0.391 145 T N 0.037 114.412 114.554 -0.298 0.000 3.144 145 T HA 0.401 4.751 4.350 0.000 0.000 0.249 145 T C 0.632 175.338 174.700 0.010 0.000 1.089 145 T CA 0.044 62.053 62.100 -0.152 0.000 0.989 145 T CB -0.639 68.055 68.868 -0.291 0.000 0.992 145 T HN 0.821 nan 8.240 nan 0.000 0.540 146 S N -0.932 114.778 115.700 0.017 0.000 2.579 146 S HA 0.640 5.110 4.470 0.000 0.000 0.272 146 S C 0.334 174.937 174.600 0.004 0.000 1.141 146 S CA -0.682 57.533 58.200 0.024 0.000 0.843 146 S CB 1.812 65.048 63.200 0.060 0.000 1.122 146 S HN -0.098 nan 8.310 nan 0.000 0.468 147 V N 1.241 121.139 119.914 -0.026 0.000 2.581 147 V HA 0.396 4.516 4.120 0.000 0.000 0.240 147 V C 2.179 178.239 176.094 -0.056 0.000 1.054 147 V CA 1.308 63.574 62.300 -0.056 0.000 1.076 147 V CB -1.485 30.315 31.823 -0.038 0.000 0.748 147 V HN 1.550 nan 8.190 nan 0.000 0.474 148 G N 1.317 110.066 108.800 -0.085 0.000 2.634 148 G HA2 -0.376 3.585 3.960 0.000 0.000 0.309 148 G HA3 -0.376 3.585 3.960 0.000 0.000 0.309 148 G C 0.503 175.367 174.900 -0.060 0.000 1.265 148 G CA 0.729 45.852 45.100 0.038 0.000 0.998 148 G HN 0.419 nan 8.290 nan 0.000 0.551 149 N N 1.079 119.678 118.700 -0.168 0.000 2.268 149 N HA 0.219 4.959 4.740 0.000 0.000 0.204 149 N C 2.054 177.114 175.510 -0.750 0.000 1.124 149 N CA 0.931 53.645 53.050 -0.561 0.000 0.838 149 N CB 0.421 38.307 38.487 -1.002 0.000 0.994 149 N HN 0.381 nan 8.380 nan 0.000 0.489 150 S N 0.684 116.186 115.700 -0.330 0.000 2.383 150 S HA -0.058 4.412 4.470 0.000 0.000 0.227 150 S C 2.121 176.641 174.600 -0.134 0.000 1.026 150 S CA 0.949 59.061 58.200 -0.146 0.000 0.981 150 S CB 0.035 63.213 63.200 -0.037 0.000 0.818 150 S HN 0.481 nan 8.310 nan 0.000 0.472 151 A N 1.673 124.389 122.820 -0.174 0.000 1.877 151 A HA -0.092 4.228 4.320 0.000 0.000 0.216 151 A C 2.358 179.801 177.584 -0.235 0.000 1.186 151 A CA 1.951 53.886 52.037 -0.170 0.000 0.620 151 A CB -0.982 17.926 19.000 -0.154 0.000 0.822 151 A HN 0.446 nan 8.150 nan 0.000 0.443 152 S N -0.719 114.788 115.700 -0.322 0.000 2.356 152 S HA -0.085 4.385 4.470 0.000 0.000 0.223 152 S C 1.684 176.065 174.600 -0.364 0.000 1.032 152 S CA 1.329 59.213 58.200 -0.527 0.000 1.005 152 S CB -0.634 62.314 63.200 -0.420 0.000 0.867 152 S HN 0.598 nan 8.310 nan 0.000 0.449 153 F N 1.776 121.669 119.950 -0.095 0.000 2.095 153 F HA -0.229 4.298 4.527 0.000 0.000 0.298 153 F C 2.813 178.613 175.800 -0.000 0.000 1.104 153 F CA 0.606 58.635 58.000 0.048 0.000 1.232 153 F CB -0.450 38.594 39.000 0.074 0.000 0.987 153 F HN 0.238 nan 8.300 nan 0.000 0.475 154 A N 0.585 123.486 122.820 0.135 0.000 1.933 154 A HA -0.161 4.159 4.320 0.000 0.000 0.218 154 A C 2.083 179.671 177.584 0.007 0.000 1.175 154 A CA 1.547 53.618 52.037 0.057 0.000 0.628 154 A CB -0.977 18.027 19.000 0.007 0.000 0.814 154 A HN 0.424 nan 8.150 nan 0.000 0.444 155 I N -1.886 118.626 120.570 -0.097 0.000 2.286 155 I HA -0.161 4.009 4.170 0.000 0.000 0.245 155 I C 2.148 178.260 176.117 -0.009 0.000 1.104 155 I CA 0.968 62.192 61.300 -0.127 0.000 1.397 155 I CB -0.375 37.467 38.000 -0.263 0.000 1.072 155 I HN 0.249 nan 8.210 nan 0.000 0.417 156 F N 1.632 121.634 119.950 0.086 0.000 2.146 156 F HA 0.033 4.560 4.527 0.000 0.000 0.298 156 F C 1.850 177.682 175.800 0.053 0.000 1.096 156 F CA 0.013 58.056 58.000 0.072 0.000 1.275 156 F CB -1.233 37.823 39.000 0.092 0.000 1.008 156 F HN -0.106 nan 8.300 nan 0.000 0.480 157 A N 1.050 124.017 122.820 0.244 0.000 2.462 157 A HA 0.084 4.404 4.320 0.000 0.000 0.243 157 A C 1.548 179.191 177.584 0.098 0.000 1.076 157 A CA -0.391 51.730 52.037 0.140 0.000 0.773 157 A CB 0.314 19.377 19.000 0.104 0.000 1.010 157 A HN 0.218 nan 8.150 nan 0.000 0.493 158 K N 0.810 121.253 120.400 0.071 0.000 2.097 158 K HA -0.107 4.213 4.320 0.000 0.000 0.206 158 K C 0.272 176.899 176.600 0.045 0.000 1.049 158 K CA 1.344 57.664 56.287 0.054 0.000 0.933 158 K CB -0.075 32.450 32.500 0.041 0.000 0.717 158 K HN 0.847 nan 8.250 nan 0.000 0.442 159 Q N 0.272 120.097 119.800 0.041 0.000 2.394 159 Q HA 0.463 4.803 4.340 0.000 0.000 0.273 159 Q C -1.252 174.770 176.000 0.037 0.000 1.089 159 Q CA -0.691 55.133 55.803 0.034 0.000 0.812 159 Q CB 3.055 31.808 28.738 0.026 0.000 1.353 159 Q HN -0.209 nan 8.270 nan 0.000 0.438 160 V N 2.817 122.753 119.914 0.036 0.000 2.531 160 V HA 0.477 4.597 4.120 0.000 0.000 0.301 160 V C -0.607 175.507 176.094 0.033 0.000 1.034 160 V CA -0.606 61.718 62.300 0.039 0.000 0.865 160 V CB 1.578 33.426 31.823 0.042 0.000 0.995 160 V HN 0.673 nan 8.190 nan 0.000 0.424 161 I N 4.735 125.325 120.570 0.033 0.000 2.321 161 I HA 0.441 4.612 4.170 0.000 0.000 0.291 161 I C -0.470 175.667 176.117 0.033 0.000 0.998 161 I CA -0.685 60.633 61.300 0.029 0.000 1.227 161 I CB 1.838 39.853 38.000 0.025 0.000 1.368 161 I HN 0.298 nan 8.210 nan 0.000 0.466 162 V N 6.082 126.014 119.914 0.030 0.000 2.370 162 V HA 0.253 4.373 4.120 0.000 0.000 0.283 162 V C 0.067 176.179 176.094 0.029 0.000 1.023 162 V CA -0.604 61.715 62.300 0.031 0.000 0.857 162 V CB 1.486 33.326 31.823 0.029 0.000 0.985 162 V HN 0.706 nan 8.190 nan 0.000 0.443 163 E N 5.156 125.375 120.200 0.032 0.000 2.063 163 E HA 0.339 4.689 4.350 0.000 0.000 0.265 163 E C -0.659 175.962 176.600 0.036 0.000 0.919 163 E CA -0.673 55.746 56.400 0.032 0.000 0.756 163 E CB 0.695 30.416 29.700 0.035 0.000 1.120 163 E HN 0.524 nan 8.360 nan 0.000 0.414 164 I N 3.862 124.450 120.570 0.031 0.000 2.533 164 I HA 0.039 4.209 4.170 0.000 0.000 0.284 164 I C 0.271 176.409 176.117 0.035 0.000 1.109 164 I CA 0.018 61.338 61.300 0.034 0.000 1.412 164 I CB 0.190 38.207 38.000 0.027 0.000 1.396 164 I HN 0.484 nan 8.210 nan 0.000 0.543 165 N N 7.066 125.798 118.700 0.054 0.000 2.511 165 N HA 0.272 5.012 4.740 0.000 0.000 0.249 165 N C 0.668 176.185 175.510 0.011 0.000 0.971 165 N CA -0.439 52.632 53.050 0.035 0.000 0.938 165 N CB 1.121 39.654 38.487 0.076 0.000 1.131 165 N HN 0.479 nan 8.380 nan 0.000 0.505 166 L N 1.796 123.010 121.223 -0.015 0.000 2.450 166 L HA -0.054 4.286 4.340 0.000 0.000 0.224 166 L C 1.862 178.697 176.870 -0.058 0.000 1.149 166 L CA 0.871 55.699 54.840 -0.020 0.000 0.816 166 L CB -0.297 41.752 42.059 -0.017 0.000 0.932 166 L HN 0.537 nan 8.230 nan 0.000 0.449 167 A N -1.805 120.934 122.820 -0.136 0.000 2.167 167 A HA -0.028 4.292 4.320 0.000 0.000 0.214 167 A C 0.657 178.050 177.584 -0.319 0.000 1.151 167 A CA 0.455 52.353 52.037 -0.232 0.000 0.735 167 A CB -0.329 18.485 19.000 -0.310 0.000 0.802 167 A HN 0.293 nan 8.150 nan 0.000 0.467 168 H N -0.061 118.969 119.070 -0.067 0.000 2.459 168 H HA 0.386 4.942 4.556 0.000 0.000 0.332 168 H C -0.071 175.232 175.328 -0.041 0.000 1.094 168 H CA -0.390 55.598 56.048 -0.099 0.000 1.224 168 H CB 1.527 31.221 29.762 -0.113 0.000 1.449 168 H HN 0.216 nan 8.280 nan 0.000 0.484 169 S N 0.983 116.743 115.700 0.100 0.000 2.592 169 S HA 0.006 4.476 4.470 0.000 0.000 0.271 169 S C 1.407 176.060 174.600 0.089 0.000 1.326 169 S CA -0.025 58.226 58.200 0.084 0.000 1.024 169 S CB 0.531 63.788 63.200 0.095 0.000 0.921 169 S HN 0.771 nan 8.310 nan 0.000 0.527 170 T N 1.312 115.909 114.554 0.072 0.000 3.072 170 T HA -0.102 4.249 4.350 0.000 0.000 0.266 170 T C 1.303 176.049 174.700 0.077 0.000 1.127 170 T CA 1.052 63.194 62.100 0.070 0.000 1.107 170 T CB -0.695 68.206 68.868 0.054 0.000 0.910 170 T HN 0.757 nan 8.240 nan 0.000 0.513 171 N N 1.672 120.421 118.700 0.082 0.000 2.571 171 N HA 0.014 4.755 4.740 0.000 0.000 0.189 171 N C 1.493 177.061 175.510 0.097 0.000 1.154 171 N CA 0.289 53.389 53.050 0.083 0.000 0.907 171 N CB -0.872 37.663 38.487 0.079 0.000 0.977 171 N HN 0.450 nan 8.380 nan 0.000 0.449 172 L N -0.104 121.188 121.223 0.114 0.000 2.191 172 L HA -0.031 4.309 4.340 0.000 0.000 0.212 172 L C 1.161 178.092 176.870 0.102 0.000 1.103 172 L CA 0.587 55.496 54.840 0.115 0.000 0.769 172 L CB -0.572 41.570 42.059 0.139 0.000 0.908 172 L HN 0.318 nan 8.230 nan 0.000 0.438 173 E N 0.243 120.520 120.200 0.129 0.000 2.558 173 E HA 0.094 4.444 4.350 0.000 0.000 0.255 173 E C 1.011 177.663 176.600 0.086 0.000 0.968 173 E CA 0.807 57.290 56.400 0.138 0.000 0.939 173 E CB 0.284 30.047 29.700 0.106 0.000 0.921 173 E HN 0.331 nan 8.360 nan 0.000 0.477 174 G N 3.565 112.416 108.800 0.086 0.000 2.278 174 G HA2 -0.273 3.688 3.960 0.000 0.000 0.210 174 G HA3 -0.273 3.688 3.960 0.000 0.000 0.210 174 G C 0.607 175.498 174.900 -0.015 0.000 1.000 174 G CA 0.142 45.268 45.100 0.045 0.000 0.635 174 G HN 0.557 nan 8.290 nan 0.000 0.495 175 L N 1.742 122.879 121.223 -0.143 0.000 2.217 175 L HA 0.350 4.690 4.340 0.000 0.000 0.211 175 L C 1.164 177.832 176.870 -0.337 0.000 1.107 175 L CA 1.407 56.069 54.840 -0.297 0.000 0.783 175 L CB -0.429 41.343 42.059 -0.478 0.000 0.919 175 L HN 0.508 nan 8.230 nan 0.000 0.442 176 H N -1.425 117.668 119.070 0.040 0.000 2.472 176 H HA 0.458 5.014 4.556 0.000 0.000 0.335 176 H C -0.842 174.509 175.328 0.038 0.000 1.136 176 H CA -0.647 55.417 56.048 0.027 0.000 1.264 176 H CB 0.950 30.719 29.762 0.013 0.000 1.486 176 H HN -0.074 nan 8.280 nan 0.000 0.517 177 D N 2.167 122.657 120.400 0.150 0.000 2.420 177 D HA 0.182 4.822 4.640 0.000 0.000 0.255 177 D C -0.886 175.487 176.300 0.122 0.000 1.185 177 D CA -0.487 53.583 54.000 0.118 0.000 0.904 177 D CB 0.300 41.157 40.800 0.096 0.000 1.102 177 D HN 0.304 nan 8.370 nan 0.000 0.534 178 I N 4.120 124.753 120.570 0.105 0.000 2.322 178 I HA 0.196 4.366 4.170 0.000 0.000 0.292 178 I C -0.623 175.556 176.117 0.103 0.000 1.060 178 I CA -0.611 60.730 61.300 0.067 0.000 1.309 178 I CB -0.192 37.810 38.000 0.003 0.000 1.415 178 I HN 0.399 nan 8.210 nan 0.000 0.492 179 Y N 7.524 127.814 120.300 -0.017 0.000 2.361 179 Y HA 0.558 5.109 4.550 0.000 0.000 0.337 179 Y C -0.852 175.035 175.900 -0.022 0.000 0.965 179 Y CA -0.941 57.148 58.100 -0.019 0.000 1.091 179 Y CB 1.312 39.770 38.460 -0.003 0.000 1.182 179 Y HN 0.293 nan 8.280 nan 0.000 0.450 180 I N 8.159 128.345 120.570 -0.639 0.000 2.378 180 I HA 0.374 4.545 4.170 0.000 0.000 0.291 180 I C -2.343 173.295 176.117 -0.800 0.000 0.992 180 I CA -2.839 58.170 61.300 -0.485 0.000 1.154 180 I CB 1.147 38.966 38.000 -0.301 0.000 1.315 180 I HN 0.549 nan 8.210 nan 0.000 0.448 181 P HA 0.104 nan 4.420 nan 0.000 0.269 181 P C 0.003 177.264 177.300 -0.066 0.000 1.215 181 P CA -0.074 62.953 63.100 -0.123 0.000 0.780 181 P CB 0.220 32.011 31.700 0.151 0.000 0.898 182 T N -0.279 114.261 114.554 -0.024 0.000 2.900 182 T HA 0.171 4.521 4.350 0.000 0.000 0.307 182 T C -0.082 174.736 174.700 0.196 0.000 1.065 182 T CA -0.188 61.892 62.100 -0.033 0.000 1.105 182 T CB -0.015 68.849 68.868 -0.007 0.000 0.979 182 T HN 0.108 nan 8.240 nan 0.000 0.544 183 Y N 0.950 121.253 120.300 0.006 0.000 2.320 183 Y HA 0.410 4.960 4.550 0.000 0.000 0.324 183 Y C 1.453 177.373 175.900 0.034 0.000 1.190 183 Y CA -1.786 56.330 58.100 0.025 0.000 1.215 183 Y CB 0.652 39.129 38.460 0.028 0.000 1.221 183 Y HN 0.617 nan 8.280 nan 0.000 0.486 184 R N 3.073 123.685 120.500 0.187 0.000 2.784 184 R HA 0.105 4.445 4.340 0.000 0.000 0.266 184 R C -1.580 174.788 176.300 0.114 0.000 1.044 184 R CA -1.108 55.061 56.100 0.114 0.000 1.151 184 R CB -0.091 30.253 30.300 0.072 0.000 1.037 184 R HN 0.433 nan 8.270 nan 0.000 0.478 185 P HA 0.019 nan 4.420 nan 0.000 0.257 185 P C -0.001 177.336 177.300 0.060 0.000 1.325 185 P CA 0.491 63.629 63.100 0.064 0.000 0.850 185 P CB 0.340 32.070 31.700 0.049 0.000 1.324 186 T N -3.212 111.384 114.554 0.071 0.000 3.258 186 T HA 0.234 4.585 4.350 0.000 0.000 0.263 186 T C 0.537 175.274 174.700 0.062 0.000 0.983 186 T CA -0.624 61.510 62.100 0.057 0.000 0.907 186 T CB -0.081 68.816 68.868 0.047 0.000 1.096 186 T HN -0.021 nan 8.240 nan 0.000 0.556 187 R N 2.449 122.994 120.500 0.076 0.000 2.489 187 R HA 0.310 4.650 4.340 0.000 0.000 0.287 187 R C 0.206 176.543 176.300 0.060 0.000 1.053 187 R CA 0.099 56.249 56.100 0.083 0.000 1.036 187 R CB 0.367 30.727 30.300 0.101 0.000 0.966 187 R HN 0.506 nan 8.270 nan 0.000 0.432 188 T N 2.140 116.728 114.554 0.057 0.000 2.936 188 T HA 0.505 4.855 4.350 0.000 0.000 0.282 188 T C -2.290 172.437 174.700 0.044 0.000 1.003 188 T CA -1.869 60.257 62.100 0.043 0.000 1.005 188 T CB 1.390 70.279 68.868 0.036 0.000 1.097 188 T HN 0.396 nan 8.240 nan 0.000 0.532 189 P HA 0.275 nan 4.420 nan 0.000 0.270 189 P C -0.475 176.813 177.300 -0.020 0.000 1.223 189 P CA -0.458 62.635 63.100 -0.011 0.000 0.785 189 P CB 0.188 31.870 31.700 -0.030 0.000 0.923 190 I N 3.889 124.405 120.570 -0.089 0.000 2.421 190 I HA 0.082 4.252 4.170 0.000 0.000 0.291 190 I C -1.535 174.449 176.117 -0.222 0.000 1.089 190 I CA -1.437 59.753 61.300 -0.183 0.000 1.354 190 I CB 0.464 38.294 38.000 -0.284 0.000 1.413 190 I HN 0.210 nan 8.210 nan 0.000 0.513 191 P HA 0.127 nan 4.420 nan 0.000 0.220 191 P C -0.517 176.665 177.300 -0.196 0.000 1.778 191 P CA 0.125 63.121 63.100 -0.172 0.000 0.912 191 P CB -0.015 31.614 31.700 -0.118 0.000 1.861 192 L N 1.419 122.515 121.223 -0.211 0.000 2.319 192 L HA 0.403 4.743 4.340 0.000 0.000 0.281 192 L C 0.788 177.557 176.870 -0.169 0.000 1.005 192 L CA -0.050 54.678 54.840 -0.187 0.000 0.828 192 L CB 1.600 43.543 42.059 -0.192 0.000 1.227 192 L HN -0.050 nan 8.230 nan 0.000 0.415 193 T N 0.151 114.618 114.554 -0.145 0.000 2.975 193 T HA 0.372 4.722 4.350 0.000 0.000 0.261 193 T C 0.670 175.285 174.700 -0.140 0.000 0.984 193 T CA -0.318 61.699 62.100 -0.138 0.000 0.911 193 T CB 0.252 69.055 68.868 -0.110 0.000 1.127 193 T HN 0.505 nan 8.240 nan 0.000 0.514 194 R N 0.631 121.048 120.500 -0.138 0.000 2.795 194 R HA 0.554 4.895 4.340 0.000 0.000 0.275 194 R C 1.277 177.505 176.300 -0.119 0.000 0.981 194 R CA -0.399 55.619 56.100 -0.136 0.000 0.917 194 R CB 2.244 32.459 30.300 -0.141 0.000 1.202 194 R HN -0.004 nan 8.270 nan 0.000 0.469 195 V N -1.699 118.162 119.914 -0.088 0.000 2.594 195 V HA -0.164 3.956 4.120 0.000 0.000 0.253 195 V C 1.055 177.151 176.094 0.004 0.000 1.069 195 V CA 1.961 64.319 62.300 0.097 0.000 1.082 195 V CB -0.524 31.431 31.823 0.219 0.000 0.680 195 V HN 0.883 nan 8.190 nan 0.000 0.469 196 D N -0.964 119.171 120.400 -0.442 0.000 2.342 196 D HA 0.073 4.713 4.640 0.000 0.000 0.221 196 D C 0.022 176.170 176.300 -0.253 0.000 1.101 196 D CA -0.426 53.154 54.000 -0.698 0.000 0.837 196 D CB -0.645 39.250 40.800 -1.509 0.000 0.938 196 D HN 0.403 nan 8.370 nan 0.000 0.508 197 D N 1.312 121.632 120.400 -0.132 0.000 2.455 197 D HA 0.065 4.705 4.640 0.000 0.000 0.241 197 D C 0.399 176.677 176.300 -0.036 0.000 1.138 197 D CA 0.246 54.193 54.000 -0.089 0.000 0.877 197 D CB 0.768 41.514 40.800 -0.091 0.000 1.187 197 D HN -0.050 nan 8.370 nan 0.000 0.451 198 R N 2.846 123.328 120.500 -0.030 0.000 2.215 198 R HA 0.255 4.595 4.340 0.000 0.000 0.336 198 R C 0.773 177.067 176.300 -0.010 0.000 0.996 198 R CA -0.257 55.845 56.100 0.003 0.000 0.847 198 R CB 0.341 30.651 30.300 0.017 0.000 1.127 198 R HN 0.543 nan 8.270 nan 0.000 0.465 199 I N -1.664 118.898 120.570 -0.013 0.000 4.082 199 I HA 0.398 4.568 4.170 0.000 0.000 0.337 199 I C 0.702 176.894 176.117 0.124 0.000 1.352 199 I CA -0.241 61.042 61.300 -0.029 0.000 1.097 199 I CB 0.925 38.770 38.000 -0.258 0.000 1.048 199 I HN 0.407 nan 8.210 nan 0.000 0.393 200 G N 1.199 110.081 108.800 0.135 0.000 3.214 200 G HA2 0.616 4.576 3.960 0.000 0.000 0.188 200 G HA3 0.616 4.576 3.960 0.000 0.000 0.188 200 G C -0.937 174.021 174.900 0.096 0.000 1.126 200 G CA 0.159 45.358 45.100 0.165 0.000 0.796 200 G HN 0.314 nan 8.290 nan 0.000 0.631 201 S N -1.596 114.152 115.700 0.080 0.000 2.664 201 S HA 0.530 5.000 4.470 0.000 0.000 0.304 201 S C 0.912 175.563 174.600 0.084 0.000 1.099 201 S CA 0.486 58.726 58.200 0.068 0.000 1.003 201 S CB 1.517 64.744 63.200 0.046 0.000 1.092 201 S HN 1.106 nan 8.310 nan 0.000 0.525 202 T N -2.301 112.309 114.554 0.093 0.000 3.081 202 T HA 0.490 4.840 4.350 0.000 0.000 0.255 202 T C 0.542 175.316 174.700 0.123 0.000 1.113 202 T CA 0.324 62.499 62.100 0.125 0.000 1.082 202 T CB -0.319 68.617 68.868 0.114 0.000 0.939 202 T HN 1.064 nan 8.240 nan 0.000 0.506 203 A N 0.689 123.560 122.820 0.085 0.000 2.479 203 A HA 0.758 5.078 4.320 0.000 0.000 0.296 203 A C -0.689 176.889 177.584 -0.011 0.000 1.121 203 A CA -1.136 50.934 52.037 0.054 0.000 0.743 203 A CB 1.058 20.131 19.000 0.121 0.000 1.323 203 A HN 0.412 nan 8.150 nan 0.000 0.415 204 I N 2.544 123.080 120.570 -0.056 0.000 2.379 204 I HA 0.247 4.417 4.170 0.000 0.000 0.290 204 I C -1.967 173.990 176.117 -0.266 0.000 1.063 204 I CA -1.520 59.703 61.300 -0.129 0.000 1.351 204 I CB 1.238 39.173 38.000 -0.108 0.000 1.410 204 I HN 0.353 nan 8.210 nan 0.000 0.505 205 P HA 0.297 nan 4.420 nan 0.000 0.286 205 P C -0.862 176.162 177.300 -0.460 0.000 1.321 205 P CA -0.040 62.562 63.100 -0.831 0.000 0.790 205 P CB 0.433 31.814 31.700 -0.533 0.000 0.897 206 I N 1.585 121.944 120.570 -0.350 0.000 2.934 206 I HA 0.684 4.854 4.170 0.000 0.000 0.306 206 I C -2.776 173.372 176.117 0.052 0.000 1.110 206 I CA -3.603 57.643 61.300 -0.089 0.000 1.019 206 I CB 2.221 40.204 38.000 -0.029 0.000 1.227 206 I HN -0.011 nan 8.210 nan 0.000 0.434 207 P HA 0.282 nan 4.420 nan 0.000 0.276 207 P C -2.354 174.992 177.300 0.076 0.000 1.235 207 P CA -1.601 61.548 63.100 0.081 0.000 0.772 207 P CB 0.382 32.112 31.700 0.050 0.000 0.871 208 P HA -0.171 nan 4.420 nan 0.000 0.221 208 P C 1.050 178.375 177.300 0.042 0.000 1.145 208 P CA 1.297 64.434 63.100 0.061 0.000 0.795 208 P CB -0.140 31.584 31.700 0.040 0.000 0.775 209 E N 0.557 120.780 120.200 0.037 0.000 2.209 209 E HA -0.188 4.162 4.350 0.000 0.000 0.196 209 E C 1.563 178.181 176.600 0.030 0.000 0.993 209 E CA 0.994 57.412 56.400 0.030 0.000 0.819 209 E CB -0.709 29.007 29.700 0.028 0.000 0.745 209 E HN 0.329 nan 8.360 nan 0.000 0.477 210 K N 0.667 121.088 120.400 0.035 0.000 2.296 210 K HA 0.067 4.387 4.320 0.000 0.000 0.200 210 K C 0.531 177.151 176.600 0.033 0.000 1.048 210 K CA 0.276 56.584 56.287 0.034 0.000 0.966 210 K CB -0.003 32.520 32.500 0.037 0.000 0.754 210 K HN 0.194 nan 8.250 nan 0.000 0.466 211 I N 1.694 122.284 120.570 0.034 0.000 2.581 211 I HA -0.101 4.069 4.170 0.000 0.000 0.285 211 I C 1.146 177.279 176.117 0.026 0.000 1.129 211 I CA 0.065 61.384 61.300 0.032 0.000 1.397 211 I CB 0.990 39.010 38.000 0.033 0.000 1.399 211 I HN -0.152 nan 8.210 nan 0.000 0.537 212 V N 6.230 126.159 119.914 0.025 0.000 3.645 212 V HA 0.417 4.538 4.120 0.000 0.000 0.275 212 V C 0.477 176.582 176.094 0.018 0.000 1.356 212 V CA 0.569 62.882 62.300 0.021 0.000 1.051 212 V CB 0.698 32.534 31.823 0.021 0.000 0.828 212 V HN 0.860 nan 8.190 nan 0.000 0.441 213 A N 0.029 122.860 122.820 0.020 0.000 2.582 213 A HA 0.721 5.042 4.320 0.000 0.000 0.297 213 A C -1.418 176.177 177.584 0.019 0.000 1.059 213 A CA -0.348 51.700 52.037 0.018 0.000 0.705 213 A CB 1.222 20.231 19.000 0.016 0.000 1.279 213 A HN 0.118 nan 8.150 nan 0.000 0.404 214 I N 2.078 122.658 120.570 0.017 0.000 2.418 214 I HA 0.509 4.679 4.170 0.000 0.000 0.287 214 I C -0.794 175.333 176.117 0.016 0.000 1.008 214 I CA -0.993 60.318 61.300 0.018 0.000 1.104 214 I CB 1.988 39.998 38.000 0.018 0.000 1.264 214 I HN 0.353 nan 8.210 nan 0.000 0.438 215 V N 6.668 126.592 119.914 0.018 0.000 2.495 215 V HA 0.450 4.570 4.120 0.000 0.000 0.298 215 V C -0.013 176.090 176.094 0.016 0.000 1.031 215 V CA -0.669 61.641 62.300 0.016 0.000 0.871 215 V CB 2.121 33.954 31.823 0.016 0.000 0.988 215 V HN 0.398 nan 8.190 nan 0.000 0.432 216 I N 4.168 124.745 120.570 0.012 0.000 2.336 216 I HA 0.499 4.669 4.170 0.000 0.000 0.292 216 I C -0.063 176.058 176.117 0.006 0.000 0.991 216 I CA -0.087 61.219 61.300 0.010 0.000 1.227 216 I CB 1.164 39.168 38.000 0.008 0.000 1.366 216 I HN 0.656 nan 8.210 nan 0.000 0.466 217 N N 4.027 122.730 118.700 0.005 0.000 2.509 217 N HA 0.503 5.243 4.740 0.000 0.000 0.280 217 N C -1.740 173.761 175.510 -0.015 0.000 1.306 217 N CA -0.396 52.653 53.050 -0.002 0.000 0.782 217 N CB 2.168 40.657 38.487 0.003 0.000 1.493 217 N HN 0.515 nan 8.380 nan 0.000 0.498 218 D N 0.814 121.198 120.400 -0.027 0.000 2.319 218 D HA 0.252 4.893 4.640 0.000 0.000 0.237 218 D C -1.838 174.426 176.300 -0.060 0.000 1.353 218 D CA -0.004 53.967 54.000 -0.048 0.000 0.992 218 D CB 0.241 41.019 40.800 -0.036 0.000 1.368 218 D HN 0.485 nan 8.370 nan 0.000 0.564 219 Q N 4.033 123.777 119.800 -0.093 0.000 2.380 219 Q HA 0.310 4.650 4.340 0.000 0.000 0.245 219 Q C -2.852 173.064 176.000 -0.139 0.000 0.893 219 Q CA -1.423 54.330 55.803 -0.084 0.000 0.922 219 Q CB 2.431 31.143 28.738 -0.044 0.000 1.432 219 Q HN 0.160 nan 8.270 nan 0.000 0.434 220 P HA 0.034 nan 4.420 nan 0.000 0.270 220 P C -0.672 176.587 177.300 -0.069 0.000 1.223 220 P CA -0.023 62.982 63.100 -0.158 0.000 0.785 220 P CB 0.647 32.291 31.700 -0.094 0.000 0.923 221 D N 0.197 120.587 120.400 -0.017 0.000 2.449 221 D HA 0.042 4.682 4.640 0.000 0.000 0.236 221 D C 0.364 176.687 176.300 0.038 0.000 1.149 221 D CA 0.529 54.565 54.000 0.061 0.000 0.878 221 D CB 0.046 40.915 40.800 0.114 0.000 1.198 221 D HN 0.185 nan 8.370 nan 0.000 0.446 222 S N 2.545 118.272 115.700 0.044 0.000 2.549 222 S HA 0.171 4.641 4.470 0.000 0.000 0.286 222 S C -2.024 172.606 174.600 0.050 0.000 1.314 222 S CA -0.975 57.248 58.200 0.039 0.000 1.062 222 S CB 0.488 63.711 63.200 0.038 0.000 0.865 222 S HN 0.345 nan 8.310 nan 0.000 0.498 223 P HA 0.096 nan 4.420 nan 0.000 0.272 223 P C -0.106 177.228 177.300 0.055 0.000 1.223 223 P CA -0.384 62.745 63.100 0.050 0.000 0.784 223 P CB 0.468 32.190 31.700 0.037 0.000 0.923 224 S N 0.493 116.231 115.700 0.063 0.000 2.558 224 S HA 0.033 4.503 4.470 0.000 0.000 0.293 224 S C 1.262 175.893 174.600 0.052 0.000 1.292 224 S CA 0.372 58.611 58.200 0.065 0.000 1.063 224 S CB -0.540 62.701 63.200 0.068 0.000 0.831 224 S HN 0.605 nan 8.310 nan 0.000 0.499 225 T N 1.614 116.200 114.554 0.052 0.000 3.122 225 T HA 0.191 4.542 4.350 0.000 0.000 0.250 225 T C 0.700 175.426 174.700 0.043 0.000 1.067 225 T CA 0.101 62.227 62.100 0.043 0.000 0.966 225 T CB -0.965 67.926 68.868 0.039 0.000 1.002 225 T HN 0.763 nan 8.240 nan 0.000 0.542 226 V N 0.814 120.757 119.914 0.048 0.000 2.752 226 V HA 0.265 4.385 4.120 0.000 0.000 0.306 226 V C 0.261 176.377 176.094 0.037 0.000 1.099 226 V CA -0.603 61.725 62.300 0.045 0.000 1.240 226 V CB -0.353 31.499 31.823 0.048 0.000 0.887 226 V HN 0.374 nan 8.190 nan 0.000 0.499 227 L N 4.831 126.075 121.223 0.035 0.000 2.375 227 L HA 0.551 4.892 4.340 0.000 0.000 0.268 227 L C -1.923 174.965 176.870 0.029 0.000 1.058 227 L CA -1.981 52.877 54.840 0.030 0.000 0.803 227 L CB 1.372 43.448 42.059 0.028 0.000 1.212 227 L HN 0.513 nan 8.230 nan 0.000 0.451 228 P HA 0.117 nan 4.420 nan 0.000 0.267 228 P C -2.471 174.844 177.300 0.025 0.000 1.200 228 P CA -0.687 62.427 63.100 0.024 0.000 0.772 228 P CB -0.261 31.451 31.700 0.021 0.000 0.855 229 P HA 0.091 nan 4.420 nan 0.000 0.268 229 P C -0.619 176.695 177.300 0.023 0.000 1.205 229 P CA 0.110 63.225 63.100 0.026 0.000 0.771 229 P CB 0.338 32.053 31.700 0.025 0.000 0.858 230 D N 0.251 120.666 120.400 0.024 0.000 2.569 230 D HA 0.326 4.966 4.640 0.000 0.000 0.266 230 D C 1.587 177.899 176.300 0.021 0.000 1.164 230 D CA -0.804 53.209 54.000 0.022 0.000 1.071 230 D CB -0.386 40.428 40.800 0.024 0.000 1.183 230 D HN 0.262 nan 8.370 nan 0.000 0.613 231 G N -0.796 108.017 108.800 0.020 0.000 2.440 231 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 231 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 231 G C 1.203 176.116 174.900 0.022 0.000 1.154 231 G CA 0.841 45.952 45.100 0.017 0.000 0.767 231 G HN 0.598 nan 8.290 nan 0.000 0.552 232 E N -0.141 120.080 120.200 0.034 0.000 2.051 232 E HA -0.111 4.239 4.350 0.000 0.000 0.192 232 E C 2.937 179.565 176.600 0.047 0.000 0.991 232 E CA 1.655 58.084 56.400 0.048 0.000 0.799 232 E CB -0.222 29.512 29.700 0.057 0.000 0.748 232 E HN 0.584 nan 8.360 nan 0.000 0.449 233 T N -1.264 113.315 114.554 0.041 0.000 2.867 233 T HA -0.213 4.137 4.350 0.000 0.000 0.268 233 T C 1.981 176.698 174.700 0.029 0.000 1.057 233 T CA 1.245 63.370 62.100 0.042 0.000 1.136 233 T CB -0.125 68.767 68.868 0.040 0.000 0.874 233 T HN 0.079 nan 8.240 nan 0.000 0.466 234 Q N 1.046 120.856 119.800 0.017 0.000 2.061 234 Q HA -0.071 4.269 4.340 0.000 0.000 0.204 234 Q C 2.596 178.575 176.000 -0.034 0.000 0.984 234 Q CA 1.693 57.495 55.803 -0.001 0.000 0.846 234 Q CB -0.598 28.138 28.738 -0.002 0.000 0.902 234 Q HN 0.711 nan 8.270 nan 0.000 0.421 235 A N 0.430 123.225 122.820 -0.042 0.000 1.933 235 A HA -0.164 4.157 4.320 0.000 0.000 0.218 235 A C 1.952 179.457 177.584 -0.131 0.000 1.175 235 A CA 1.237 53.197 52.037 -0.129 0.000 0.628 235 A CB -0.592 18.378 19.000 -0.050 0.000 0.814 235 A HN 0.479 nan 8.150 nan 0.000 0.444 236 I N -0.376 120.215 120.570 0.034 0.000 2.163 236 I HA -0.264 3.906 4.170 0.000 0.000 0.240 236 I C 3.018 179.163 176.117 0.046 0.000 1.081 236 I CA 1.007 62.370 61.300 0.105 0.000 1.353 236 I CB -0.426 37.632 38.000 0.096 0.000 1.054 236 I HN 0.351 nan 8.210 nan 0.000 0.407 237 A N 1.215 124.048 122.820 0.022 0.000 1.892 237 A HA -0.267 4.053 4.320 0.000 0.000 0.218 237 A C 2.040 179.633 177.584 0.016 0.000 1.188 237 A CA 2.332 54.387 52.037 0.029 0.000 0.631 237 A CB -0.808 18.215 19.000 0.038 0.000 0.822 237 A HN 0.449 nan 8.150 nan 0.000 0.447 238 N N -0.574 118.095 118.700 -0.051 0.000 2.142 238 N HA -0.124 4.616 4.740 0.000 0.000 0.186 238 N C 1.554 177.015 175.510 -0.081 0.000 1.023 238 N CA 1.470 54.469 53.050 -0.085 0.000 0.852 238 N CB -0.690 37.703 38.487 -0.156 0.000 0.998 238 N HN 0.631 nan 8.380 nan 0.000 0.424 239 H N 0.381 119.462 119.070 0.018 0.000 2.352 239 H HA -0.068 4.488 4.556 0.001 0.000 0.299 239 H C 2.064 177.383 175.328 -0.015 0.000 1.097 239 H CA 0.773 56.824 56.048 0.006 0.000 1.311 239 H CB -0.501 29.254 29.762 -0.012 0.000 1.377 239 H HN 0.124 nan 8.280 nan 0.000 0.504 240 L N 0.757 122.006 121.223 0.042 0.000 2.027 240 L HA -0.070 4.270 4.340 0.000 0.000 0.206 240 L C 2.409 179.192 176.870 -0.146 0.000 1.074 240 L CA 1.101 55.850 54.840 -0.151 0.000 0.745 240 L CB -0.673 41.255 42.059 -0.220 0.000 0.898 240 L HN 0.093 nan 8.230 nan 0.000 0.433 241 I N -0.284 120.336 120.570 0.084 0.000 2.208 241 I HA -0.333 3.837 4.170 0.000 0.000 0.245 241 I C 2.026 178.316 176.117 0.290 0.000 1.097 241 I CA 1.448 62.938 61.300 0.317 0.000 1.363 241 I CB -0.539 37.630 38.000 0.281 0.000 1.051 241 I HN 0.302 nan 8.210 nan 0.000 0.413 242 D N 0.513 121.017 120.400 0.173 0.000 2.123 242 D HA -0.239 4.401 4.640 0.000 0.000 0.196 242 D C 1.921 178.321 176.300 0.168 0.000 0.992 242 D CA 1.360 55.454 54.000 0.156 0.000 0.833 242 D CB -0.466 40.416 40.800 0.137 0.000 0.954 242 D HN 0.324 nan 8.370 nan 0.000 0.455 243 F N 0.907 120.859 119.950 0.004 0.000 2.095 243 F HA -0.234 4.293 4.527 0.000 0.000 0.298 243 F C 2.040 177.875 175.800 0.059 0.000 1.104 243 F CA 1.249 59.227 58.000 -0.038 0.000 1.232 243 F CB -0.383 38.511 39.000 -0.177 0.000 0.987 243 F HN -0.193 nan 8.300 nan 0.000 0.475 244 F N 1.258 121.192 119.950 -0.028 0.000 2.161 244 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 244 F C 2.362 178.129 175.800 -0.055 0.000 1.089 244 F CA 1.484 59.363 58.000 -0.201 0.000 1.282 244 F CB -1.262 37.592 39.000 -0.243 0.000 1.010 244 F HN -0.020 nan 8.300 nan 0.000 0.485 245 K N -0.135 120.494 120.400 0.381 0.000 2.026 245 K HA -0.161 4.159 4.320 0.000 0.000 0.208 245 K C 2.216 178.873 176.600 0.094 0.000 1.048 245 K CA 1.371 57.828 56.287 0.282 0.000 0.929 245 K CB -0.202 32.420 32.500 0.204 0.000 0.713 245 K HN 0.144 nan 8.250 nan 0.000 0.439 246 R N 0.689 121.194 120.500 0.009 0.000 2.091 246 R HA -0.138 4.202 4.340 0.000 0.000 0.238 246 R C 2.160 178.400 176.300 -0.101 0.000 1.136 246 R CA 1.263 57.335 56.100 -0.047 0.000 0.959 246 R CB -0.164 30.101 30.300 -0.057 0.000 0.856 246 R HN 0.229 nan 8.270 nan 0.000 0.437 247 E N 0.345 120.415 120.200 -0.217 0.000 2.028 247 E HA -0.130 4.220 4.350 0.000 0.000 0.191 247 E C 2.244 178.799 176.600 -0.074 0.000 0.988 247 E CA 1.051 57.331 56.400 -0.200 0.000 0.799 247 E CB -0.406 29.096 29.700 -0.329 0.000 0.755 247 E HN 0.113 nan 8.360 nan 0.000 0.447 248 V N 1.790 121.688 119.914 -0.027 0.000 2.287 248 V HA -0.283 3.838 4.120 0.000 0.000 0.248 248 V C 2.252 178.361 176.094 0.025 0.000 1.053 248 V CA 2.252 64.566 62.300 0.024 0.000 1.027 248 V CB -0.666 31.228 31.823 0.119 0.000 0.646 248 V HN 0.239 nan 8.190 nan 0.000 0.447 249 D N 0.328 120.746 120.400 0.030 0.000 2.149 249 D HA -0.151 4.490 4.640 0.000 0.000 0.198 249 D C 1.768 178.072 176.300 0.007 0.000 0.990 249 D CA 1.367 55.379 54.000 0.020 0.000 0.839 249 D CB -0.131 40.682 40.800 0.021 0.000 0.948 249 D HN 0.438 nan 8.370 nan 0.000 0.460 250 A N -1.038 121.779 122.820 -0.005 0.000 2.278 250 A HA 0.476 4.796 4.320 0.000 0.000 0.212 250 A C 1.742 179.325 177.584 -0.003 0.000 1.213 250 A CA 0.724 52.758 52.037 -0.005 0.000 0.840 250 A CB -0.589 18.403 19.000 -0.013 0.000 0.866 250 A HN 0.435 nan 8.150 nan 0.000 0.489 251 G N -0.511 108.288 108.800 -0.002 0.000 2.153 251 G HA2 -0.278 3.683 3.960 0.000 0.000 0.252 251 G HA3 -0.278 3.683 3.960 0.000 0.000 0.252 251 G C 0.413 175.313 174.900 0.000 0.000 0.994 251 G CA 0.658 45.758 45.100 -0.000 0.000 0.698 251 G HN 0.650 nan 8.290 nan 0.000 0.521 255 N N 0.908 119.618 118.700 0.017 0.000 2.573 255 N HA -0.070 4.670 4.740 0.000 0.000 0.187 255 N C 1.118 176.671 175.510 0.071 0.000 1.107 255 N CA 1.258 54.369 53.050 0.103 0.000 0.918 255 N CB -0.065 38.493 38.487 0.118 0.000 0.966 255 N HN 0.650 nan 8.380 nan 0.000 0.448 256 S N 0.168 115.855 115.700 -0.022 0.000 2.614 256 S HA 0.195 4.665 4.470 0.000 0.000 0.230 256 S C 1.107 175.612 174.600 -0.159 0.000 0.952 256 S CA -0.444 57.726 58.200 -0.051 0.000 0.949 256 S CB -0.223 62.956 63.200 -0.035 0.000 0.786 256 S HN 0.282 nan 8.310 nan 0.000 0.478 257 L N -0.831 120.224 121.223 -0.280 0.000 6.223 257 L HA -0.255 4.085 4.340 0.000 0.000 0.053 257 L C 0.964 177.692 176.870 -0.238 0.000 2.244 257 L CA 1.179 55.766 54.840 -0.421 0.000 1.647 257 L CB -1.878 39.764 42.059 -0.695 0.000 2.769 257 L HN 0.596 nan 8.230 nan 0.000 1.016 258 G N -1.752 106.922 108.800 -0.211 0.000 2.725 258 G HA2 0.688 4.648 3.960 0.000 0.000 0.288 258 G HA3 0.688 4.648 3.960 0.000 0.000 0.288 258 G C -3.050 171.800 174.900 -0.084 0.000 1.399 258 G CA -0.893 44.142 45.100 -0.108 0.000 0.859 258 G HN 0.272 nan 8.290 nan 0.000 0.479 259 P HA 0.216 nan 4.420 nan 0.000 0.263 259 P C -0.397 176.906 177.300 0.005 0.000 1.195 259 P CA 0.119 63.222 63.100 0.006 0.000 0.762 259 P CB 0.525 32.250 31.700 0.042 0.000 0.799 260 L N 3.382 124.593 121.223 -0.020 0.000 2.312 260 L HA 0.389 4.729 4.340 0.000 0.000 0.281 260 L C 0.675 177.488 176.870 -0.095 0.000 1.070 260 L CA -0.282 54.523 54.840 -0.059 0.000 0.805 260 L CB 0.930 42.944 42.059 -0.075 0.000 1.174 260 L HN 0.324 nan 8.230 nan 0.000 0.434 261 Q N 3.063 122.760 119.800 -0.172 0.000 2.330 261 Q HA 0.691 5.031 4.340 0.000 0.000 0.269 261 Q C -1.661 174.166 176.000 -0.289 0.000 1.022 261 Q CA -0.652 54.938 55.803 -0.354 0.000 0.796 261 Q CB 2.241 30.527 28.738 -0.753 0.000 1.271 261 Q HN 0.705 nan 8.270 nan 0.000 0.450 262 A N 2.986 125.658 122.820 -0.246 0.000 2.335 262 A HA 0.742 5.062 4.320 0.000 0.000 0.304 262 A C 0.157 177.657 177.584 -0.140 0.000 1.118 262 A CA -0.122 51.820 52.037 -0.157 0.000 0.757 262 A CB 1.165 20.108 19.000 -0.095 0.000 1.188 262 A HN 0.780 nan 8.150 nan 0.000 0.460 263 G N 0.922 109.656 108.800 -0.109 0.000 2.664 263 G HA2 0.398 4.358 3.960 0.000 0.000 0.242 263 G HA3 0.398 4.358 3.960 0.000 0.000 0.242 263 G C 0.239 175.142 174.900 0.006 0.000 1.225 263 G CA -0.229 44.845 45.100 -0.042 0.000 0.849 263 G HN 0.901 nan 8.290 nan 0.000 0.581 264 I N 0.797 121.393 120.570 0.043 0.000 2.752 264 I HA 0.436 4.606 4.170 0.000 0.000 0.287 264 I C 0.887 177.054 176.117 0.084 0.000 1.188 264 I CA 1.851 63.194 61.300 0.072 0.000 1.427 264 I CB 0.312 38.367 38.000 0.091 0.000 1.365 264 I HN 1.378 nan 8.210 nan 0.000 0.585 265 G N 4.014 112.862 108.800 0.079 0.000 2.570 265 G HA2 -0.131 3.829 3.960 0.000 0.000 0.686 265 G HA3 -0.131 3.829 3.960 0.000 0.000 0.686 265 G C 0.198 175.136 174.900 0.063 0.000 1.257 265 G CA -0.244 44.904 45.100 0.080 0.000 0.846 265 G HN 0.710 nan 8.290 nan 0.000 0.627 266 S N -0.093 115.643 115.700 0.059 0.000 2.382 266 S HA -0.076 4.394 4.470 0.000 0.000 0.228 266 S C 2.462 177.091 174.600 0.048 0.000 1.027 266 S CA 1.496 59.726 58.200 0.050 0.000 0.991 266 S CB -0.176 63.051 63.200 0.045 0.000 0.823 266 S HN 0.540 nan 8.310 nan 0.000 0.469 267 I N 2.015 122.618 120.570 0.055 0.000 2.202 267 I HA -0.132 4.038 4.170 0.000 0.000 0.242 267 I C 2.826 178.970 176.117 0.045 0.000 1.091 267 I CA 1.370 62.703 61.300 0.054 0.000 1.368 267 I CB -1.515 36.525 38.000 0.067 0.000 1.058 267 I HN 0.271 nan 8.210 nan 0.000 0.410 268 A N 1.231 124.075 122.820 0.041 0.000 1.902 268 A HA -0.272 4.048 4.320 0.000 0.000 0.217 268 A C 2.129 179.723 177.584 0.017 0.000 1.181 268 A CA 2.286 54.335 52.037 0.020 0.000 0.623 268 A CB -1.073 17.930 19.000 0.004 0.000 0.818 268 A HN 0.519 nan 8.150 nan 0.000 0.443 269 N N 0.157 118.872 118.700 0.024 0.000 2.120 269 N HA -0.091 4.649 4.740 0.000 0.000 0.188 269 N C 1.706 177.233 175.510 0.028 0.000 1.024 269 N CA 1.945 55.009 53.050 0.023 0.000 0.852 269 N CB -0.327 38.179 38.487 0.032 0.000 1.003 269 N HN 0.345 nan 8.380 nan 0.000 0.424 270 A N 0.307 123.147 122.820 0.034 0.000 1.930 270 A HA 0.056 4.376 4.320 0.000 0.000 0.217 270 A C 1.179 178.787 177.584 0.039 0.000 1.175 270 A CA 0.731 52.790 52.037 0.035 0.000 0.627 270 A CB -0.710 18.311 19.000 0.036 0.000 0.815 270 A HN 0.149 nan 8.150 nan 0.000 0.443 274 G N 1.554 110.389 108.800 0.059 0.000 2.507 274 G HA2 -0.210 3.750 3.960 0.000 0.000 0.221 274 G HA3 -0.210 3.750 3.960 0.000 0.000 0.221 274 G C 1.245 176.204 174.900 0.098 0.000 1.119 274 G CA 1.346 46.488 45.100 0.070 0.000 0.751 274 G HN 0.610 nan 8.290 nan 0.000 0.574 275 L N 0.030 121.328 121.223 0.125 0.000 2.465 275 L HA 0.144 4.484 4.340 0.000 0.000 0.224 275 L C 2.537 179.471 176.870 0.107 0.000 1.145 275 L CA -0.011 54.934 54.840 0.174 0.000 0.834 275 L CB -0.294 41.886 42.059 0.201 0.000 0.944 275 L HN 0.212 nan 8.230 nan 0.000 0.451 276 I N -0.170 120.439 120.570 0.065 0.000 2.315 276 I HA -0.190 3.980 4.170 0.000 0.000 0.248 276 I C 0.909 177.036 176.117 0.016 0.000 1.117 276 I CA 1.044 62.366 61.300 0.037 0.000 1.404 276 I CB 0.004 38.022 38.000 0.030 0.000 1.071 276 I HN 0.131 nan 8.210 nan 0.000 0.419 277 E N 1.533 121.742 120.200 0.016 0.000 2.127 277 E HA 0.185 4.535 4.350 0.000 0.000 0.262 277 E C -0.556 176.022 176.600 -0.036 0.000 1.144 277 E CA -0.219 56.175 56.400 -0.010 0.000 1.144 277 E CB 0.238 29.937 29.700 -0.003 0.000 1.297 277 E HN 0.325 nan 8.360 nan 0.000 0.469 278 S N -0.021 115.624 115.700 -0.091 0.000 2.587 278 S HA 0.458 4.928 4.470 0.000 0.000 0.269 278 S C -2.495 171.891 174.600 -0.356 0.000 1.154 278 S CA -1.108 56.939 58.200 -0.255 0.000 0.824 278 S CB 1.515 64.595 63.200 -0.201 0.000 1.118 278 S HN 0.016 nan 8.310 nan 0.000 0.462 279 P HA 0.281 nan 4.420 nan 0.000 0.249 279 P C -0.410 176.689 177.300 -0.336 0.000 1.229 279 P CA 0.067 62.902 63.100 -0.441 0.000 0.788 279 P CB -0.379 31.072 31.700 -0.416 0.000 1.072 280 F N 1.263 121.213 119.950 -0.001 0.000 2.443 280 F HA 0.348 4.876 4.527 0.001 0.000 0.353 280 F C 1.193 176.978 175.800 -0.024 0.000 1.101 280 F CA -0.284 57.702 58.000 -0.023 0.000 1.226 280 F CB 0.265 39.239 39.000 -0.043 0.000 1.140 280 F HN -0.189 nan 8.300 nan 0.000 0.557 281 E N 0.464 120.755 120.200 0.153 0.000 2.392 281 E HA 0.262 4.612 4.350 0.000 0.000 0.269 281 E C -0.550 176.080 176.600 0.049 0.000 0.924 281 E CA -1.185 55.258 56.400 0.071 0.000 0.784 281 E CB 1.517 31.241 29.700 0.040 0.000 1.292 281 E HN 0.566 nan 8.360 nan 0.000 0.447 282 N N 0.274 118.993 118.700 0.031 0.000 2.727 282 N HA -0.207 4.534 4.740 0.000 0.000 0.249 282 N C -0.361 175.155 175.510 0.010 0.000 1.048 282 N CA 0.157 53.218 53.050 0.019 0.000 0.714 282 N CB -1.294 37.200 38.487 0.010 0.000 0.959 282 N HN 0.305 nan 8.380 nan 0.000 0.544 283 L N -0.363 120.866 121.223 0.011 0.000 2.482 283 L HA 0.286 4.626 4.340 0.000 0.000 0.273 283 L C 1.438 178.313 176.870 0.007 0.000 1.228 283 L CA 0.278 55.113 54.840 -0.010 0.000 0.827 283 L CB 0.286 42.335 42.059 -0.016 0.000 1.099 283 L HN 0.313 nan 8.230 nan 0.000 0.494 287 S N 2.233 117.784 115.700 -0.248 0.000 2.745 287 S HA 0.428 4.898 4.470 0.000 0.000 0.306 287 S C 0.497 174.968 174.600 -0.215 0.000 1.137 287 S CA -0.057 57.971 58.200 -0.287 0.000 0.900 287 S CB 1.920 64.966 63.200 -0.257 0.000 1.176 287 S HN 0.830 nan 8.310 nan 0.000 0.520 288 E N -0.184 119.908 120.200 -0.180 0.000 2.079 288 E HA 0.147 4.497 4.350 0.000 0.000 0.191 288 E C 0.344 176.846 176.600 -0.164 0.000 0.961 288 E CA 0.757 57.122 56.400 -0.058 0.000 0.823 288 E CB 0.336 30.134 29.700 0.163 0.000 0.789 288 E HN 0.529 nan 8.360 nan 0.000 0.459 289 V N 0.035 119.895 119.914 -0.090 0.000 2.667 289 V HA 0.563 4.683 4.120 0.000 0.000 0.308 289 V C -0.540 175.510 176.094 -0.073 0.000 1.048 289 V CA -0.947 61.323 62.300 -0.050 0.000 0.928 289 V CB 1.651 33.519 31.823 0.076 0.000 1.004 289 V HN 0.085 nan 8.190 nan 0.000 0.444 290 L N 3.737 124.934 121.223 -0.043 0.000 2.333 290 L HA 0.664 5.004 4.340 0.000 0.000 0.280 290 L C -0.055 176.851 176.870 0.060 0.000 1.004 290 L CA -0.336 54.476 54.840 -0.048 0.000 0.820 290 L CB 1.733 43.737 42.059 -0.092 0.000 1.247 290 L HN 0.799 nan 8.230 nan 0.000 0.416 291 Q N 0.640 120.470 119.800 0.050 0.000 2.873 291 Q HA 0.240 4.580 4.340 0.000 0.000 0.297 291 Q C -0.159 175.931 176.000 0.150 0.000 1.064 291 Q CA -1.003 54.858 55.803 0.096 0.000 0.816 291 Q CB 1.826 30.596 28.738 0.053 0.000 1.481 291 Q HN 0.483 nan 8.270 nan 0.000 0.488 292 D N 0.524 120.996 120.400 0.121 0.000 2.157 292 D HA -0.218 4.423 4.640 0.000 0.000 0.191 292 D C 1.870 178.238 176.300 0.113 0.000 1.004 292 D CA 2.327 56.400 54.000 0.122 0.000 0.854 292 D CB -0.317 40.520 40.800 0.062 0.000 0.936 292 D HN 0.548 nan 8.370 nan 0.000 0.446 293 S N -0.484 115.247 115.700 0.051 0.000 2.400 293 S HA -0.176 4.295 4.470 0.000 0.000 0.232 293 S C 2.040 176.611 174.600 -0.049 0.000 1.025 293 S CA 1.622 59.828 58.200 0.011 0.000 0.993 293 S CB -0.814 62.388 63.200 0.003 0.000 0.808 293 S HN 0.176 nan 8.310 nan 0.000 0.478 294 T N 1.884 116.366 114.554 -0.119 0.000 2.684 294 T HA -0.019 4.331 4.350 0.000 0.000 0.267 294 T C 1.262 175.685 174.700 -0.462 0.000 1.036 294 T CA 1.776 63.662 62.100 -0.356 0.000 1.148 294 T CB -0.578 67.940 68.868 -0.583 0.000 0.863 294 T HN 0.524 nan 8.240 nan 0.000 0.436 295 F N 1.476 121.313 119.950 -0.188 0.000 2.293 295 F HA 0.039 4.566 4.527 -0.000 0.000 0.297 295 F C 2.322 178.062 175.800 -0.100 0.000 1.089 295 F CA 0.436 58.287 58.000 -0.248 0.000 1.377 295 F CB -0.406 38.331 39.000 -0.437 0.000 1.051 295 F HN 0.068 nan 8.300 nan 0.000 0.511 296 D N 0.538 120.988 120.400 0.082 0.000 2.117 296 D HA -0.150 4.490 4.640 0.000 0.000 0.197 296 D C 2.421 178.742 176.300 0.035 0.000 0.987 296 D CA 1.212 55.249 54.000 0.061 0.000 0.829 296 D CB -0.524 40.303 40.800 0.045 0.000 0.961 296 D HN 0.253 nan 8.370 nan 0.000 0.460 297 L N 0.393 121.611 121.223 -0.009 0.000 2.093 297 L HA -0.084 4.256 4.340 0.000 0.000 0.208 297 L C 2.494 179.359 176.870 -0.008 0.000 1.085 297 L CA 0.498 55.330 54.840 -0.014 0.000 0.755 297 L CB -0.156 41.877 42.059 -0.042 0.000 0.904 297 L HN 0.008 nan 8.230 nan 0.000 0.435 298 I N -0.295 120.260 120.570 -0.026 0.000 2.202 298 I HA -0.291 3.879 4.170 0.000 0.000 0.242 298 I C 2.045 178.220 176.117 0.097 0.000 1.091 298 I CA 1.213 62.531 61.300 0.031 0.000 1.368 298 I CB -0.371 37.658 38.000 0.049 0.000 1.058 298 I HN 0.245 nan 8.210 nan 0.000 0.410 299 D N 1.243 121.726 120.400 0.138 0.000 2.117 299 D HA -0.141 4.499 4.640 0.000 0.000 0.197 299 D C 2.154 178.495 176.300 0.069 0.000 0.987 299 D CA 1.491 55.568 54.000 0.128 0.000 0.829 299 D CB -0.223 40.664 40.800 0.145 0.000 0.961 299 D HN 0.327 nan 8.370 nan 0.000 0.460 300 A N -0.098 122.754 122.820 0.053 0.000 2.225 300 A HA 0.228 4.548 4.320 0.000 0.000 0.215 300 A C 1.859 179.459 177.584 0.027 0.000 1.164 300 A CA 1.455 53.512 52.037 0.034 0.000 0.710 300 A CB -0.587 18.430 19.000 0.029 0.000 0.780 300 A HN 0.309 nan 8.150 nan 0.000 0.473 301 G N -1.206 107.613 108.800 0.031 0.000 2.153 301 G HA2 -0.283 3.678 3.960 0.000 0.000 0.252 301 G HA3 -0.283 3.678 3.960 0.000 0.000 0.252 301 G C 0.964 175.877 174.900 0.021 0.000 0.994 301 G CA 0.793 45.908 45.100 0.024 0.000 0.698 301 G HN 0.420 nan 8.290 nan 0.000 0.521 302 K N -1.216 119.197 120.400 0.022 0.000 2.202 302 K HA 0.266 4.586 4.320 0.000 0.000 0.201 302 K C 0.975 177.586 176.600 0.019 0.000 1.051 302 K CA 0.301 56.604 56.287 0.026 0.000 0.977 302 K CB 0.162 32.683 32.500 0.034 0.000 0.792 302 K HN 0.511 nan 8.250 nan 0.000 0.469 303 L N 1.608 122.834 121.223 0.004 0.000 2.287 303 L HA 0.257 4.597 4.340 0.000 0.000 0.287 303 L C 0.901 177.773 176.870 0.005 0.000 1.022 303 L CA -0.057 54.776 54.840 -0.012 0.000 0.814 303 L CB 1.263 43.284 42.059 -0.063 0.000 1.217 303 L HN -0.063 nan 8.230 nan 0.000 0.420 304 R N 3.785 124.307 120.500 0.038 0.000 2.093 304 R HA 0.162 4.502 4.340 0.000 0.000 0.224 304 R C -0.463 175.929 176.300 0.153 0.000 1.101 304 R CA 0.968 57.118 56.100 0.083 0.000 0.979 304 R CB 0.124 30.478 30.300 0.090 0.000 0.877 304 R HN 0.513 nan 8.270 nan 0.000 0.441 305 F N -0.912 119.009 119.950 -0.049 0.000 2.672 305 F HA 0.493 5.021 4.527 0.000 0.000 0.311 305 F C -1.884 173.866 175.800 -0.082 0.000 1.113 305 F CA -0.977 56.991 58.000 -0.054 0.000 0.996 305 F CB 1.633 40.615 39.000 -0.029 0.000 1.286 305 F HN -0.131 nan 8.300 nan 0.000 0.441 306 A N 3.306 125.682 122.820 -0.740 0.000 2.359 306 A HA 0.688 5.008 4.320 0.000 0.000 0.303 306 A C -1.309 175.960 177.584 -0.525 0.000 1.066 306 A CA -0.526 51.237 52.037 -0.458 0.000 0.730 306 A CB 1.652 20.381 19.000 -0.452 0.000 1.211 306 A HN 0.754 nan 8.150 nan 0.000 0.439 307 S N 1.388 116.984 115.700 -0.173 0.000 2.489 307 S HA 0.837 5.307 4.470 0.000 0.000 0.291 307 S C 0.234 174.635 174.600 -0.331 0.000 1.151 307 S CA 0.304 58.391 58.200 -0.189 0.000 1.082 307 S CB 1.089 64.211 63.200 -0.130 0.000 1.019 307 S HN 1.819 nan 8.310 nan 0.000 0.492 308 G N 1.073 109.699 108.800 -0.289 0.000 2.721 308 G HA2 0.487 4.447 3.960 0.000 0.000 0.296 308 G HA3 0.487 4.447 3.960 0.000 0.000 0.296 308 G C -0.063 174.692 174.900 -0.242 0.000 1.383 308 G CA -0.215 44.722 45.100 -0.272 0.000 0.788 308 G HN 0.613 nan 8.290 nan 0.000 0.500 309 S N -1.501 114.026 115.700 -0.288 0.000 2.502 309 S HA 0.439 4.909 4.470 0.000 0.000 0.215 309 S C 0.646 175.055 174.600 -0.318 0.000 1.009 309 S CA 0.885 58.883 58.200 -0.337 0.000 0.908 309 S CB -0.127 62.750 63.200 -0.540 0.000 0.801 309 S HN 1.006 nan 8.310 nan 0.000 0.505 310 S N 0.223 115.765 115.700 -0.262 0.000 2.543 310 S HA 0.623 5.094 4.470 0.000 0.000 0.271 310 S C -1.604 172.996 174.600 0.001 0.000 1.148 310 S CA -0.690 57.440 58.200 -0.117 0.000 0.914 310 S CB 0.905 64.037 63.200 -0.113 0.000 1.096 310 S HN 0.277 nan 8.310 nan 0.000 0.471 311 I N 3.177 123.801 120.570 0.089 0.000 2.389 311 I HA 0.469 4.640 4.170 0.000 0.000 0.288 311 I C -0.231 175.995 176.117 0.180 0.000 0.999 311 I CA -0.372 61.027 61.300 0.165 0.000 1.129 311 I CB 2.127 40.294 38.000 0.278 0.000 1.288 311 I HN 0.594 nan 8.210 nan 0.000 0.444 312 T N 7.530 122.181 114.554 0.162 0.000 2.937 312 T HA 0.710 5.060 4.350 0.000 0.000 0.297 312 T C -1.020 173.753 174.700 0.121 0.000 0.991 312 T CA -0.312 61.874 62.100 0.143 0.000 0.990 312 T CB 0.566 69.516 68.868 0.136 0.000 0.991 312 T HN 0.384 nan 8.240 nan 0.000 0.440 313 L N 2.681 123.968 121.223 0.106 0.000 2.327 313 L HA 0.629 4.969 4.340 0.000 0.000 0.258 313 L C 0.584 177.485 176.870 0.051 0.000 1.024 313 L CA -1.310 53.567 54.840 0.062 0.000 0.825 313 L CB 2.315 44.374 42.059 0.000 0.000 1.386 313 L HN 0.517 nan 8.230 nan 0.000 0.417 314 S N 0.959 116.678 115.700 0.031 0.000 2.576 314 S HA 0.087 4.557 4.470 0.000 0.000 0.272 314 S C -1.729 172.883 174.600 0.020 0.000 1.352 314 S CA -0.793 57.423 58.200 0.026 0.000 1.021 314 S CB 0.859 64.071 63.200 0.019 0.000 0.887 314 S HN 0.458 nan 8.310 nan 0.000 0.542 315 P HA -0.076 nan 4.420 nan 0.000 0.215 315 P C 1.107 178.416 177.300 0.014 0.000 1.153 315 P CA 1.243 64.355 63.100 0.020 0.000 0.853 315 P CB 0.148 31.858 31.700 0.017 0.000 0.788 316 R N -0.715 119.789 120.500 0.006 0.000 2.062 316 R HA -0.042 4.298 4.340 0.000 0.000 0.229 316 R C 2.524 178.814 176.300 -0.017 0.000 1.128 316 R CA 1.124 57.225 56.100 0.001 0.000 0.960 316 R CB -0.647 29.654 30.300 0.002 0.000 0.855 316 R HN 0.021 nan 8.270 nan 0.000 0.432 317 R N 1.214 121.694 120.500 -0.034 0.000 2.091 317 R HA -0.157 4.183 4.340 0.000 0.000 0.238 317 R C 1.863 178.075 176.300 -0.147 0.000 1.136 317 R CA 2.008 58.051 56.100 -0.096 0.000 0.959 317 R CB -0.469 29.776 30.300 -0.092 0.000 0.856 317 R HN 0.207 nan 8.270 nan 0.000 0.437 318 N N -0.364 118.302 118.700 -0.056 0.000 2.069 318 N HA -0.160 4.580 4.740 0.000 0.000 0.191 318 N C 1.545 177.099 175.510 0.073 0.000 1.031 318 N CA 1.931 55.002 53.050 0.035 0.000 0.852 318 N CB -0.291 38.263 38.487 0.111 0.000 1.018 318 N HN 0.350 nan 8.380 nan 0.000 0.423 319 A N -0.000 122.844 122.820 0.040 0.000 1.902 319 A HA -0.188 4.132 4.320 0.000 0.000 0.217 319 A C 2.007 179.604 177.584 0.023 0.000 1.181 319 A CA 2.127 54.192 52.037 0.047 0.000 0.623 319 A CB -0.997 18.019 19.000 0.027 0.000 0.818 319 A HN 0.631 nan 8.150 nan 0.000 0.443 320 D N -0.819 119.567 120.400 -0.023 0.000 2.117 320 D HA -0.094 4.546 4.640 0.000 0.000 0.198 320 D C 1.694 177.968 176.300 -0.044 0.000 0.982 320 D CA 1.542 55.529 54.000 -0.022 0.000 0.828 320 D CB -0.059 40.729 40.800 -0.020 0.000 0.967 320 D HN 0.149 nan 8.370 nan 0.000 0.464 321 V N -0.446 119.331 119.914 -0.229 0.000 2.283 321 V HA -0.108 4.012 4.120 0.000 0.000 0.243 321 V C 1.927 177.818 176.094 -0.339 0.000 1.039 321 V CA 1.361 63.392 62.300 -0.448 0.000 1.016 321 V CB -0.594 30.491 31.823 -1.230 0.000 0.650 321 V HN 0.187 nan 8.190 nan 0.000 0.449 322 F N 1.042 120.949 119.950 -0.072 0.000 2.615 322 F HA 0.212 4.740 4.527 0.001 0.000 0.297 322 F C 2.271 178.078 175.800 0.011 0.000 1.124 322 F CA 0.773 58.765 58.000 -0.013 0.000 1.451 322 F CB -0.997 38.003 39.000 -0.001 0.000 1.103 322 F HN 0.173 nan 8.300 nan 0.000 0.569 323 G N -0.775 108.105 108.800 0.133 0.000 2.448 323 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 323 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 323 G C 0.946 175.880 174.900 0.057 0.000 1.127 323 G CA 0.610 45.758 45.100 0.081 0.000 0.766 323 G HN 0.294 nan 8.290 nan 0.000 0.552 324 N N -0.054 118.674 118.700 0.046 0.000 2.687 324 N HA 0.114 4.855 4.740 0.000 0.000 0.275 324 N C 0.731 176.257 175.510 0.026 0.000 1.789 324 N CA -0.374 52.690 53.050 0.023 0.000 0.806 324 N CB 0.930 39.413 38.487 -0.008 0.000 1.256 324 N HN 0.027 nan 8.380 nan 0.000 0.500 325 L N 0.997 122.252 121.223 0.055 0.000 2.191 325 L HA -0.011 4.329 4.340 0.000 0.000 0.212 325 L C 2.001 178.900 176.870 0.049 0.000 1.103 325 L CA 1.804 56.686 54.840 0.070 0.000 0.769 325 L CB -0.007 42.117 42.059 0.107 0.000 0.908 325 L HN 0.290 nan 8.230 nan 0.000 0.438 326 E N -0.505 119.699 120.200 0.006 0.000 2.204 326 E HA -0.243 4.107 4.350 0.000 0.000 0.195 326 E C 2.217 178.763 176.600 -0.091 0.000 0.990 326 E CA 0.559 56.947 56.400 -0.022 0.000 0.821 326 E CB -0.151 29.538 29.700 -0.018 0.000 0.750 326 E HN 0.511 nan 8.360 nan 0.000 0.477 327 R N -0.482 119.900 120.500 -0.196 0.000 2.159 327 R HA -0.169 4.171 4.340 0.000 0.000 0.237 327 R C 0.973 176.943 176.300 -0.551 0.000 1.131 327 R CA 1.320 57.152 56.100 -0.447 0.000 0.982 327 R CB 0.124 30.001 30.300 -0.705 0.000 0.868 327 R HN 0.192 nan 8.270 nan 0.000 0.453 328 Y N -1.832 118.467 120.300 -0.001 0.000 2.423 328 Y HA 0.229 4.779 4.550 -0.000 0.000 0.257 328 Y C 1.640 177.529 175.900 -0.019 0.000 1.087 328 Y CA -0.465 57.643 58.100 0.013 0.000 1.258 328 Y CB 0.250 38.772 38.460 0.103 0.000 1.237 328 Y HN -0.177 nan 8.280 nan 0.000 0.517 329 K N 0.683 121.147 120.400 0.107 0.000 2.103 329 K HA -0.166 4.154 4.320 0.000 0.000 0.207 329 K C 0.355 176.987 176.600 0.054 0.000 1.048 329 K CA 1.802 58.129 56.287 0.066 0.000 0.930 329 K CB -0.037 32.494 32.500 0.051 0.000 0.716 329 K HN 0.254 nan 8.250 nan 0.000 0.444 330 D N 0.156 120.595 120.400 0.066 0.000 2.349 330 D HA -0.028 4.613 4.640 0.000 0.000 0.224 330 D C 0.564 176.976 176.300 0.187 0.000 1.029 330 D CA 0.733 54.802 54.000 0.116 0.000 0.879 330 D CB 0.356 41.209 40.800 0.088 0.000 0.906 330 D HN 0.205 nan 8.370 nan 0.000 0.528 331 K N -0.081 120.345 120.400 0.044 0.000 2.387 331 K HA 0.279 4.599 4.320 0.000 0.000 0.203 331 K C 0.228 176.345 176.600 -0.806 0.000 1.030 331 K CA 0.040 56.243 56.287 -0.140 0.000 1.099 331 K CB 1.372 33.843 32.500 -0.049 0.000 0.863 331 K HN -0.019 nan 8.250 nan 0.000 0.529 332 L N 0.393 121.263 121.223 -0.589 0.000 2.371 332 L HA 0.606 4.946 4.340 0.000 0.000 0.262 332 L C -1.217 175.455 176.870 -0.330 0.000 1.006 332 L CA -1.216 53.268 54.840 -0.593 0.000 0.818 332 L CB 2.482 44.398 42.059 -0.238 0.000 1.354 332 L HN -0.284 nan 8.230 nan 0.000 0.415 333 V N 2.997 122.764 119.914 -0.244 0.000 2.969 333 V HA 0.546 4.666 4.120 0.000 0.000 0.304 333 V C -1.610 174.439 176.094 -0.075 0.000 1.192 333 V CA -0.346 61.938 62.300 -0.027 0.000 0.962 333 V CB 2.606 34.545 31.823 0.195 0.000 1.045 333 V HN 0.551 nan 8.190 nan 0.000 0.428 334 L N 6.299 127.489 121.223 -0.055 0.000 2.341 334 L HA 0.727 5.068 4.340 0.000 0.000 0.278 334 L C -0.165 176.718 176.870 0.023 0.000 1.005 334 L CA -0.671 54.150 54.840 -0.033 0.000 0.818 334 L CB 2.059 44.131 42.059 0.021 0.000 1.259 334 L HN 0.635 nan 8.230 nan 0.000 0.418 335 R N 2.473 122.958 120.500 -0.024 0.000 2.854 335 R HA 0.534 4.874 4.340 0.000 0.000 0.271 335 R C -2.656 173.631 176.300 -0.022 0.000 0.994 335 R CA -2.110 53.993 56.100 0.006 0.000 0.945 335 R CB 1.603 31.904 30.300 0.002 0.000 1.194 335 R HN 0.264 nan 8.270 nan 0.000 0.476 336 P HA -0.132 nan 4.420 nan 0.000 0.266 336 P C 0.169 177.451 177.300 -0.029 0.000 1.193 336 P CA 0.283 63.371 63.100 -0.020 0.000 0.770 336 P CB 0.530 32.240 31.700 0.017 0.000 0.836 337 Q N 2.652 122.414 119.800 -0.064 0.000 2.181 337 Q HA -0.274 4.066 4.340 0.000 0.000 0.205 337 Q C 1.704 177.731 176.000 0.044 0.000 0.980 337 Q CA 1.587 57.365 55.803 -0.041 0.000 0.862 337 Q CB -0.605 28.151 28.738 0.030 0.000 0.905 337 Q HN 0.525 nan 8.270 nan 0.000 0.429 338 E N 0.436 120.674 120.200 0.064 0.000 2.097 338 E HA -0.205 4.145 4.350 0.000 0.000 0.196 338 E C 1.773 178.487 176.600 0.189 0.000 1.000 338 E CA 1.509 57.977 56.400 0.113 0.000 0.804 338 E CB 0.104 29.890 29.700 0.143 0.000 0.740 338 E HN 0.483 nan 8.360 nan 0.000 0.454 339 I N 0.722 121.400 120.570 0.180 0.000 2.585 339 I HA -0.130 4.040 4.170 0.000 0.000 0.254 339 I C 2.632 178.899 176.117 0.251 0.000 1.129 339 I CA 1.058 62.489 61.300 0.218 0.000 1.455 339 I CB -1.361 36.750 38.000 0.185 0.000 1.111 339 I HN 0.142 nan 8.210 nan 0.000 0.433 340 S N 1.629 117.409 115.700 0.134 0.000 2.419 340 S HA -0.131 4.339 4.470 0.000 0.000 0.233 340 S C 1.351 176.139 174.600 0.314 0.000 1.016 340 S CA 1.363 59.613 58.200 0.083 0.000 0.974 340 S CB -0.421 62.730 63.200 -0.081 0.000 0.786 340 S HN 0.418 nan 8.310 nan 0.000 0.492 341 N N -0.161 118.611 118.700 0.121 0.000 2.177 341 N HA 0.227 4.967 4.740 0.000 0.000 0.218 341 N C -0.357 175.034 175.510 -0.199 0.000 1.182 341 N CA -0.165 52.726 53.050 -0.266 0.000 0.882 341 N CB -0.055 38.287 38.487 -0.242 0.000 1.052 341 N HN 0.618 nan 8.380 nan 0.000 0.519 342 H N 1.125 120.167 119.070 -0.046 0.000 2.929 342 H HA 0.073 4.630 4.556 0.000 0.000 0.317 342 H C -1.407 173.873 175.328 -0.080 0.000 1.031 342 H CA -1.113 54.910 56.048 -0.040 0.000 1.466 342 H CB 1.218 30.994 29.762 0.023 0.000 1.482 342 H HN -0.019 nan 8.280 nan 0.000 0.561 343 P HA -0.251 nan 4.420 nan 0.000 0.216 343 P C 1.181 178.550 177.300 0.115 0.000 1.154 343 P CA 1.830 64.918 63.100 -0.020 0.000 0.865 343 P CB 0.182 31.827 31.700 -0.093 0.000 0.789 344 E N -0.432 119.968 120.200 0.334 0.000 2.077 344 E HA -0.153 4.197 4.350 0.000 0.000 0.193 344 E C 1.659 178.271 176.600 0.021 0.000 0.989 344 E CA 1.379 57.862 56.400 0.139 0.000 0.800 344 E CB -0.391 29.342 29.700 0.055 0.000 0.746 344 E HN -0.009 nan 8.360 nan 0.000 0.452 345 V N 0.540 120.465 119.914 0.019 0.000 2.379 345 V HA -0.181 3.940 4.120 0.000 0.000 0.245 345 V C 2.451 178.483 176.094 -0.104 0.000 1.044 345 V CA 1.213 63.454 62.300 -0.099 0.000 1.036 345 V CB -0.076 31.681 31.823 -0.110 0.000 0.664 345 V HN 0.203 nan 8.190 nan 0.000 0.453 346 V N 0.311 120.220 119.914 -0.009 0.000 2.287 346 V HA -0.291 3.829 4.120 0.000 0.000 0.248 346 V C 2.559 178.666 176.094 0.021 0.000 1.053 346 V CA 2.587 64.909 62.300 0.037 0.000 1.027 346 V CB -0.761 31.083 31.823 0.036 0.000 0.646 346 V HN 0.488 nan 8.190 nan 0.000 0.447 347 R N -0.146 120.361 120.500 0.010 0.000 2.090 347 R HA -0.128 4.212 4.340 0.000 0.000 0.228 347 R C 2.516 178.804 176.300 -0.020 0.000 1.110 347 R CA 1.397 57.504 56.100 0.012 0.000 0.973 347 R CB -0.240 30.070 30.300 0.016 0.000 0.869 347 R HN 0.436 nan 8.270 nan 0.000 0.440 348 R N 0.351 120.823 120.500 -0.047 0.000 2.073 348 R HA -0.087 4.253 4.340 0.000 0.000 0.234 348 R C 2.029 178.269 176.300 -0.099 0.000 1.134 348 R CA 1.548 57.602 56.100 -0.076 0.000 0.952 348 R CB -0.229 30.013 30.300 -0.098 0.000 0.850 348 R HN 0.275 nan 8.270 nan 0.000 0.433 349 L N -0.357 120.790 121.223 -0.127 0.000 2.313 349 L HA 0.120 4.460 4.340 0.000 0.000 0.214 349 L C 0.955 177.769 176.870 -0.092 0.000 1.119 349 L CA 0.648 55.404 54.840 -0.141 0.000 0.809 349 L CB -0.186 41.737 42.059 -0.228 0.000 0.933 349 L HN 0.629 nan 8.230 nan 0.000 0.449 350 G N 1.614 110.386 108.800 -0.046 0.000 2.368 350 G HA2 -0.264 3.696 3.960 0.000 0.000 0.290 350 G HA3 -0.264 3.696 3.960 0.000 0.000 0.290 350 G C -0.010 174.922 174.900 0.054 0.000 1.098 350 G CA -0.298 44.791 45.100 -0.018 0.000 1.073 350 G HN 0.233 nan 8.290 nan 0.000 0.511 351 I N 0.037 120.667 120.570 0.100 0.000 2.692 351 I HA 0.159 4.329 4.170 0.000 0.000 0.284 351 I C 1.234 177.429 176.117 0.130 0.000 1.159 351 I CA 0.047 61.420 61.300 0.122 0.000 1.423 351 I CB 0.639 38.764 38.000 0.210 0.000 1.380 351 I HN 0.152 nan 8.210 nan 0.000 0.580 352 I N 5.615 126.230 120.570 0.076 0.000 2.297 352 I HA 0.290 4.460 4.170 0.000 0.000 0.291 352 I C 0.645 176.762 176.117 -0.001 0.000 1.033 352 I CA -0.099 61.239 61.300 0.064 0.000 1.253 352 I CB 0.900 38.930 38.000 0.049 0.000 1.396 352 I HN 0.591 nan 8.210 nan 0.000 0.476 353 G N 7.281 116.061 108.800 -0.033 0.000 2.379 353 G HA2 0.750 4.710 3.960 0.000 0.000 0.327 353 G HA3 0.750 4.710 3.960 0.000 0.000 0.327 353 G C -0.738 174.041 174.900 -0.201 0.000 1.145 353 G CA -0.415 44.600 45.100 -0.141 0.000 0.905 353 G HN 0.517 nan 8.290 nan 0.000 0.466 354 I N 2.684 123.123 120.570 -0.218 0.000 2.439 354 I HA 0.328 4.499 4.170 0.000 0.000 0.283 354 I C -0.793 175.182 176.117 -0.236 0.000 1.023 354 I CA -0.754 60.419 61.300 -0.211 0.000 1.100 354 I CB 1.577 39.525 38.000 -0.087 0.000 1.238 354 I HN 0.313 nan 8.210 nan 0.000 0.445 355 N N 3.334 121.822 118.700 -0.354 0.000 2.321 355 N HA 0.473 5.213 4.740 0.000 0.000 0.290 355 N C -0.950 174.555 175.510 -0.009 0.000 1.212 355 N CA -0.644 52.277 53.050 -0.214 0.000 0.767 355 N CB 2.582 40.879 38.487 -0.316 0.000 1.494 355 N HN 0.308 nan 8.380 nan 0.000 0.479 356 T N 0.777 115.425 114.554 0.157 0.000 2.806 356 T HA 0.512 4.862 4.350 0.000 0.000 0.290 356 T C 0.139 175.059 174.700 0.366 0.000 0.966 356 T CA -0.479 61.762 62.100 0.235 0.000 1.060 356 T CB 1.027 69.994 68.868 0.165 0.000 0.927 356 T HN 0.542 nan 8.240 nan 0.000 0.485 357 A N 2.770 125.816 122.820 0.376 0.000 2.309 357 A HA 0.529 4.849 4.320 0.000 0.000 0.298 357 A C 1.238 178.951 177.584 0.216 0.000 1.165 357 A CA -0.613 51.616 52.037 0.319 0.000 0.821 357 A CB 0.289 19.511 19.000 0.370 0.000 1.102 357 A HN 0.814 nan 8.150 nan 0.000 0.500 358 L N 1.356 122.687 121.223 0.180 0.000 1.994 358 L HA 0.038 4.379 4.340 0.000 0.000 0.208 358 L C 0.924 177.838 176.870 0.074 0.000 1.071 358 L CA 2.581 57.492 54.840 0.118 0.000 0.745 358 L CB -0.451 41.678 42.059 0.116 0.000 0.892 358 L HN 0.890 nan 8.230 nan 0.000 0.431 359 E N -2.161 118.090 120.200 0.085 0.000 2.407 359 E HA 0.467 4.817 4.350 0.000 0.000 0.279 359 E C -1.181 175.464 176.600 0.075 0.000 1.012 359 E CA -0.799 55.592 56.400 -0.015 0.000 0.800 359 E CB 1.139 30.838 29.700 -0.001 0.000 1.276 359 E HN 0.041 nan 8.360 nan 0.000 0.452 360 F N -0.511 119.437 119.950 -0.003 0.000 2.650 360 F HA 0.753 5.280 4.527 0.000 0.000 0.320 360 F C -1.216 174.560 175.800 -0.040 0.000 1.091 360 F CA -1.043 56.937 58.000 -0.033 0.000 0.962 360 F CB 1.029 39.992 39.000 -0.061 0.000 1.363 360 F HN 0.535 nan 8.300 nan 0.000 0.482 361 D N 0.157 120.722 120.400 0.275 0.000 2.525 361 D HA 0.325 4.965 4.640 0.000 0.000 0.249 361 D C 0.964 177.306 176.300 0.069 0.000 1.072 361 D CA -0.578 53.483 54.000 0.102 0.000 1.067 361 D CB 0.940 41.783 40.800 0.072 0.000 1.282 361 D HN 0.800 nan 8.370 nan 0.000 0.587 362 I N -3.059 117.406 120.570 -0.175 0.000 3.176 362 I HA -0.041 4.130 4.170 0.000 0.000 0.275 362 I C 0.266 176.047 176.117 -0.560 0.000 1.298 362 I CA 0.688 61.753 61.300 -0.392 0.000 1.445 362 I CB -0.480 37.173 38.000 -0.577 0.000 1.075 362 I HN 0.180 nan 8.210 nan 0.000 0.482 363 Y N 1.841 122.135 120.300 -0.009 0.000 2.458 363 Y HA 0.470 5.020 4.550 0.001 0.000 0.256 363 Y C 1.859 177.724 175.900 -0.059 0.000 1.159 363 Y CA -0.139 57.932 58.100 -0.048 0.000 1.261 363 Y CB 0.525 38.966 38.460 -0.032 0.000 1.119 363 Y HN 0.351 nan 8.280 nan 0.000 0.524 364 G N -0.165 108.663 108.800 0.046 0.000 2.179 364 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 364 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 364 G C -0.037 174.844 174.900 -0.031 0.000 0.990 364 G CA -0.434 44.641 45.100 -0.043 0.000 0.646 364 G HN 0.274 nan 8.290 nan 0.000 0.517 365 N N 0.117 118.844 118.700 0.045 0.000 2.530 365 N HA 0.431 5.171 4.740 0.000 0.000 0.273 365 N C -0.214 175.312 175.510 0.026 0.000 1.173 365 N CA 0.265 53.332 53.050 0.029 0.000 0.967 365 N CB 2.119 40.639 38.487 0.055 0.000 1.109 365 N HN 0.109 nan 8.380 nan 0.000 0.453 366 V N 2.056 121.946 119.914 -0.039 0.000 2.540 366 V HA 0.209 4.329 4.120 0.000 0.000 0.302 366 V C 0.063 176.180 176.094 0.037 0.000 1.035 366 V CA -0.950 61.315 62.300 -0.058 0.000 0.873 366 V CB 1.775 33.291 31.823 -0.511 0.000 0.992 366 V HN 0.599 nan 8.190 nan 0.000 0.428 367 N N 2.388 121.149 118.700 0.101 0.000 2.426 367 N HA 0.329 5.069 4.740 0.000 0.000 0.275 367 N C 0.375 176.009 175.510 0.206 0.000 1.019 367 N CA -0.107 53.045 53.050 0.170 0.000 0.941 367 N CB 1.951 40.537 38.487 0.165 0.000 1.123 367 N HN 0.566 nan 8.380 nan 0.000 0.486 368 S N 0.869 116.724 115.700 0.259 0.000 2.540 368 S HA 0.050 4.520 4.470 0.000 0.000 0.222 368 S C 1.114 175.853 174.600 0.231 0.000 1.008 368 S CA 0.337 58.710 58.200 0.289 0.000 0.939 368 S CB 0.465 63.910 63.200 0.410 0.000 0.865 368 S HN 0.846 nan 8.310 nan 0.000 0.499 369 T N -2.039 112.635 114.554 0.200 0.000 3.168 369 T HA 0.263 4.613 4.350 0.000 0.000 0.261 369 T C -0.177 174.489 174.700 -0.056 0.000 0.931 369 T CA -0.036 62.114 62.100 0.084 0.000 0.949 369 T CB 0.026 68.955 68.868 0.101 0.000 1.229 369 T HN 0.202 nan 8.240 nan 0.000 0.504 370 H N 1.158 120.145 119.070 -0.139 0.000 2.511 370 H HA 0.690 5.247 4.556 0.000 0.000 0.328 370 H C -0.710 174.583 175.328 -0.059 0.000 1.044 370 H CA -0.585 55.360 56.048 -0.172 0.000 1.212 370 H CB 1.563 31.118 29.762 -0.344 0.000 1.428 370 H HN 0.090 nan 8.280 nan 0.000 0.483 371 V N 3.255 123.189 119.914 0.034 0.000 2.508 371 V HA 0.240 4.360 4.120 0.000 0.000 0.281 371 V C 1.298 177.428 176.094 0.061 0.000 1.041 371 V CA 0.755 63.083 62.300 0.046 0.000 1.016 371 V CB 0.749 32.579 31.823 0.012 0.000 0.984 371 V HN 1.160 nan 8.190 nan 0.000 0.478 372 G N 4.109 112.959 108.800 0.084 0.000 2.203 372 G HA2 -0.046 3.915 3.960 0.000 0.000 0.263 372 G HA3 -0.046 3.915 3.960 0.000 0.000 0.263 372 G C 1.138 176.028 174.900 -0.017 0.000 1.012 372 G CA 0.577 45.716 45.100 0.065 0.000 0.749 372 G HN 2.237 nan 8.290 nan 0.000 0.512 373 G N -2.121 106.665 108.800 -0.022 0.000 2.184 373 G HA2 -0.073 3.887 3.960 0.000 0.000 0.264 373 G HA3 -0.073 3.887 3.960 0.000 0.000 0.264 373 G C 1.345 176.283 174.900 0.063 0.000 0.975 373 G CA 2.099 47.191 45.100 -0.014 0.000 0.642 373 G HN 2.322 nan 8.290 nan 0.000 0.536 374 T N -3.702 110.926 114.554 0.123 0.000 3.010 374 T HA 0.426 4.776 4.350 0.000 0.000 0.253 374 T C 0.969 175.734 174.700 0.108 0.000 0.939 374 T CA 0.901 63.090 62.100 0.148 0.000 0.910 374 T CB 0.668 69.573 68.868 0.061 0.000 1.226 374 T HN 0.470 nan 8.240 nan 0.000 0.508 379 G N 0.793 109.519 108.800 -0.123 0.000 2.352 379 G HA2 0.192 4.152 3.960 0.000 0.000 0.305 379 G HA3 0.192 4.152 3.960 0.000 0.000 0.305 379 G C -0.007 175.167 174.900 0.457 0.000 1.537 379 G CA -0.335 44.924 45.100 0.266 0.000 0.959 379 G HN 0.104 nan 8.290 nan 0.000 0.668 380 I N 0.800 121.588 120.570 0.363 0.000 2.454 380 I HA 0.192 4.363 4.170 0.000 0.000 0.254 380 I C 1.827 178.197 176.117 0.422 0.000 1.156 380 I CA 2.522 64.036 61.300 0.356 0.000 1.433 380 I CB -0.296 37.834 38.000 0.217 0.000 1.082 380 I HN 1.905 nan 8.210 nan 0.000 0.432 381 G N -0.028 109.028 108.800 0.427 0.000 2.552 381 G HA2 -0.343 3.617 3.960 0.000 0.000 0.265 381 G HA3 -0.343 3.617 3.960 0.000 0.000 0.265 381 G C 0.681 175.714 174.900 0.223 0.000 1.234 381 G CA -0.075 45.117 45.100 0.153 0.000 0.944 381 G HN 0.510 nan 8.290 nan 0.000 0.568 382 G N -0.160 108.774 108.800 0.223 0.000 2.985 382 G HA2 0.335 4.295 3.960 0.000 0.000 0.209 382 G HA3 0.335 4.295 3.960 0.000 0.000 0.209 382 G C 1.969 177.121 174.900 0.420 0.000 1.165 382 G CA 1.580 46.874 45.100 0.323 0.000 0.776 382 G HN 1.895 nan 8.290 nan 0.000 0.541 383 S N 0.177 116.133 115.700 0.427 0.000 2.419 383 S HA -0.022 4.448 4.470 0.000 0.000 0.235 383 S C 2.333 177.216 174.600 0.472 0.000 1.019 383 S CA 1.480 59.940 58.200 0.433 0.000 0.982 383 S CB -0.433 63.058 63.200 0.484 0.000 0.789 383 S HN 0.309 nan 8.310 nan 0.000 0.490 384 G N 1.571 110.716 108.800 0.575 0.000 2.396 384 G HA2 -0.069 3.891 3.960 0.000 0.000 0.214 384 G HA3 -0.069 3.891 3.960 0.000 0.000 0.214 384 G C 1.154 176.069 174.900 0.026 0.000 1.166 384 G CA 0.682 46.033 45.100 0.418 0.000 0.793 384 G HN 0.461 nan 8.290 nan 0.000 0.533 385 D N 0.772 121.116 120.400 -0.092 0.000 2.116 385 D HA -0.124 4.516 4.640 0.000 0.000 0.193 385 D C 2.140 178.255 176.300 -0.309 0.000 0.998 385 D CA 0.975 54.794 54.000 -0.302 0.000 0.836 385 D CB -0.289 40.247 40.800 -0.441 0.000 0.951 385 D HN 0.352 nan 8.370 nan 0.000 0.449 386 F N 1.187 121.167 119.950 0.050 0.000 2.149 386 F HA 0.058 4.585 4.527 0.001 0.000 0.294 386 F C 2.583 178.393 175.800 0.017 0.000 1.095 386 F CA 0.727 58.745 58.000 0.030 0.000 1.276 386 F CB -0.851 38.155 39.000 0.009 0.000 1.023 386 F HN -0.108 nan 8.300 nan 0.000 0.480 387 A N 0.233 123.171 122.820 0.196 0.000 1.883 387 A HA -0.247 4.073 4.320 0.000 0.000 0.217 387 A C 2.200 179.872 177.584 0.147 0.000 1.186 387 A CA 2.055 54.178 52.037 0.144 0.000 0.624 387 A CB -0.750 18.370 19.000 0.200 0.000 0.822 387 A HN 0.255 nan 8.150 nan 0.000 0.444 388 R N 0.550 121.129 120.500 0.131 0.000 2.091 388 R HA -0.115 4.225 4.340 0.000 0.000 0.238 388 R C 1.021 177.361 176.300 0.067 0.000 1.136 388 R CA 2.417 58.571 56.100 0.090 0.000 0.959 388 R CB -0.767 29.548 30.300 0.026 0.000 0.856 388 R HN 0.680 nan 8.270 nan 0.000 0.437 389 N N -0.772 117.960 118.700 0.053 0.000 2.184 389 N HA 0.279 5.019 4.740 0.000 0.000 0.206 389 N C -0.677 174.884 175.510 0.085 0.000 1.151 389 N CA 0.228 53.307 53.050 0.048 0.000 0.878 389 N CB 0.827 39.318 38.487 0.006 0.000 1.014 389 N HN 0.237 nan 8.380 nan 0.000 0.512 390 A N 0.288 123.177 122.820 0.115 0.000 2.425 390 A HA 0.021 4.341 4.320 0.000 0.000 0.242 390 A C 1.051 178.724 177.584 0.147 0.000 1.077 390 A CA 0.029 52.151 52.037 0.141 0.000 0.781 390 A CB 0.216 19.292 19.000 0.126 0.000 1.020 390 A HN 0.404 nan 8.150 nan 0.000 0.494 391 H N 1.294 120.395 119.070 0.053 0.000 2.321 391 H HA 0.099 4.655 4.556 0.000 0.000 0.300 391 H C -0.090 175.277 175.328 0.064 0.000 1.087 391 H CA 2.034 58.110 56.048 0.047 0.000 1.319 391 H CB -0.093 29.687 29.762 0.030 0.000 1.379 391 H HN 0.409 nan 8.280 nan 0.000 0.501 392 L N 0.643 121.843 121.223 -0.039 0.000 2.376 392 L HA 0.555 4.895 4.340 0.000 0.000 0.275 392 L C -0.757 176.101 176.870 -0.020 0.000 0.987 392 L CA -0.773 54.026 54.840 -0.068 0.000 0.828 392 L CB 2.092 44.133 42.059 -0.029 0.000 1.249 392 L HN 0.183 nan 8.230 nan 0.000 0.409 393 A N 5.711 128.512 122.820 -0.031 0.000 2.294 393 A HA 0.726 5.046 4.320 0.000 0.000 0.316 393 A C -0.459 177.044 177.584 -0.134 0.000 1.359 393 A CA -0.222 51.773 52.037 -0.070 0.000 0.956 393 A CB -0.201 18.827 19.000 0.047 0.000 1.155 393 A HN 0.634 nan 8.150 nan 0.000 0.544 394 I N 2.222 122.628 120.570 -0.274 0.000 2.404 394 I HA 0.469 4.639 4.170 0.000 0.000 0.293 394 I C -0.969 174.891 176.117 -0.428 0.000 0.992 394 I CA -0.293 60.850 61.300 -0.261 0.000 1.149 394 I CB 1.506 39.383 38.000 -0.205 0.000 1.315 394 I HN 0.531 nan 8.210 nan 0.000 0.446 395 F N 5.637 125.496 119.950 -0.151 0.000 2.520 395 F HA 0.664 5.192 4.527 0.000 0.000 0.322 395 F C -0.034 175.731 175.800 -0.059 0.000 1.103 395 F CA -0.806 57.138 58.000 -0.093 0.000 0.926 395 F CB 2.107 41.049 39.000 -0.097 0.000 1.154 395 F HN 0.148 nan 8.300 nan 0.000 0.453 396 V N -0.352 119.679 119.914 0.195 0.000 3.001 396 V HA 0.986 5.106 4.120 0.000 0.000 0.314 396 V C -0.714 175.517 176.094 0.228 0.000 1.099 396 V CA -0.503 61.897 62.300 0.166 0.000 0.989 396 V CB 1.664 33.536 31.823 0.081 0.000 1.040 396 V HN 0.872 nan 8.190 nan 0.000 0.434 397 T N 1.242 115.925 114.554 0.215 0.000 2.907 397 T HA 0.324 4.674 4.350 0.000 0.000 0.344 397 T C -1.095 173.681 174.700 0.126 0.000 1.675 397 T CA -0.766 61.434 62.100 0.167 0.000 1.076 397 T CB 1.677 70.646 68.868 0.169 0.000 1.483 397 T HN 1.027 nan 8.240 nan 0.000 0.487 398 K N 1.717 122.165 120.400 0.080 0.000 2.355 398 K HA 0.257 4.578 4.320 0.000 0.000 0.270 398 K C 1.566 178.180 176.600 0.023 0.000 1.003 398 K CA 0.291 56.615 56.287 0.062 0.000 0.957 398 K CB 0.668 33.196 32.500 0.047 0.000 0.939 398 K HN 0.693 nan 8.250 nan 0.000 0.482 399 S N 2.009 117.731 115.700 0.037 0.000 2.453 399 S HA -0.039 4.431 4.470 0.000 0.000 0.231 399 S C 0.931 175.478 174.600 -0.088 0.000 1.005 399 S CA 0.262 58.455 58.200 -0.012 0.000 0.949 399 S CB -0.635 62.616 63.200 0.084 0.000 0.774 399 S HN 0.582 nan 8.310 nan 0.000 0.510 400 I N -2.923 117.606 120.570 -0.069 0.000 3.174 400 I HA 0.939 5.109 4.170 0.000 0.000 0.313 400 I C -0.654 175.395 176.117 -0.112 0.000 1.155 400 I CA -1.687 59.523 61.300 -0.150 0.000 0.977 400 I CB 1.814 39.696 38.000 -0.197 0.000 1.248 400 I HN 0.091 nan 8.210 nan 0.000 0.453 401 A N 1.668 124.406 122.820 -0.137 0.000 2.593 401 A HA 0.695 5.015 4.320 0.000 0.000 0.290 401 A C -0.446 177.070 177.584 -0.113 0.000 1.126 401 A CA -0.794 51.184 52.037 -0.099 0.000 0.695 401 A CB 1.281 20.230 19.000 -0.085 0.000 1.290 401 A HN 0.808 nan 8.150 nan 0.000 0.414 402 K N -0.246 120.104 120.400 -0.084 0.000 3.257 402 K HA -0.195 4.125 4.320 0.000 0.000 0.270 402 K C 0.879 177.422 176.600 -0.095 0.000 0.984 402 K CA 1.032 57.268 56.287 -0.085 0.000 0.739 402 K CB -1.862 30.576 32.500 -0.103 0.000 1.351 402 K HN 2.468 nan 8.250 nan 0.000 0.463 403 G N -1.176 107.581 108.800 -0.073 0.000 2.225 403 G HA2 -0.225 3.736 3.960 0.000 0.000 0.267 403 G HA3 -0.225 3.736 3.960 0.000 0.000 0.267 403 G C 0.842 175.692 174.900 -0.083 0.000 1.024 403 G CA 1.163 46.227 45.100 -0.060 0.000 0.784 403 G HN 1.458 nan 8.290 nan 0.000 0.507 404 G N -1.281 107.443 108.800 -0.127 0.000 2.194 404 G HA2 -0.288 3.672 3.960 0.000 0.000 0.236 404 G HA3 -0.288 3.672 3.960 0.000 0.000 0.236 404 G C 0.860 175.631 174.900 -0.214 0.000 0.987 404 G CA 0.744 45.759 45.100 -0.142 0.000 0.635 404 G HN 0.904 nan 8.290 nan 0.000 0.520 405 N N 0.179 118.658 118.700 -0.368 0.000 2.459 405 N HA 0.204 4.944 4.740 0.000 0.000 0.181 405 N C 0.735 175.913 175.510 -0.553 0.000 1.046 405 N CA 0.988 53.542 53.050 -0.826 0.000 0.904 405 N CB 0.167 38.359 38.487 -0.491 0.000 0.964 405 N HN 0.597 nan 8.380 nan 0.000 0.444 406 I N -0.596 119.781 120.570 -0.322 0.000 2.466 406 I HA 0.183 4.353 4.170 0.000 0.000 0.289 406 I C -0.391 175.465 176.117 -0.436 0.000 1.026 406 I CA -0.737 60.378 61.300 -0.309 0.000 1.078 406 I CB 2.042 39.916 38.000 -0.209 0.000 1.249 406 I HN -0.199 nan 8.210 nan 0.000 0.429 407 S N 2.861 118.106 115.700 -0.759 0.000 2.499 407 S HA 0.245 4.715 4.470 0.000 0.000 0.279 407 S C 0.929 175.261 174.600 -0.447 0.000 1.219 407 S CA -0.477 57.198 58.200 -0.875 0.000 1.062 407 S CB 1.141 63.460 63.200 -1.468 0.000 0.978 407 S HN 0.634 nan 8.310 nan 0.000 0.489 408 S N 2.823 118.307 115.700 -0.361 0.000 2.561 408 S HA 0.092 4.562 4.470 0.000 0.000 0.225 408 S C 0.148 174.428 174.600 -0.534 0.000 0.977 408 S CA -0.008 57.991 58.200 -0.335 0.000 0.926 408 S CB 0.005 63.046 63.200 -0.265 0.000 0.769 408 S HN 0.584 nan 8.310 nan 0.000 0.533 409 V N 2.831 122.447 119.914 -0.498 0.000 2.409 409 V HA 0.613 4.733 4.120 0.000 0.000 0.291 409 V C -0.094 175.870 176.094 -0.217 0.000 1.020 409 V CA -0.797 61.190 62.300 -0.522 0.000 0.848 409 V CB 1.262 32.826 31.823 -0.432 0.000 0.990 409 V HN 0.183 nan 8.190 nan 0.000 0.430 410 V N 3.214 123.009 119.914 -0.200 0.000 3.074 410 V HA 0.797 4.917 4.120 0.000 0.000 0.314 410 V C -2.775 173.097 176.094 -0.369 0.000 1.117 410 V CA -2.813 59.357 62.300 -0.217 0.000 1.014 410 V CB 2.032 33.791 31.823 -0.107 0.000 1.057 410 V HN 0.597 nan 8.190 nan 0.000 0.438 414 S N 0.299 115.828 115.700 -0.284 0.000 2.515 414 S HA 0.092 4.562 4.470 0.000 0.000 0.231 414 S C 0.596 175.116 174.600 -0.133 0.000 0.987 414 S CA 1.287 59.237 58.200 -0.415 0.000 0.936 414 S CB -0.437 62.341 63.200 -0.704 0.000 0.766 414 S HN 1.702 nan 8.310 nan 0.000 0.528 415 H N -0.280 118.687 119.070 -0.171 0.000 3.154 415 H HA 0.344 4.900 4.556 0.000 0.000 0.330 415 H C -2.049 173.216 175.328 -0.105 0.000 1.033 415 H CA -0.503 55.439 56.048 -0.176 0.000 1.393 415 H CB 1.618 31.235 29.762 -0.242 0.000 1.951 415 H HN 0.035 nan 8.280 nan 0.000 0.466 416 V N 5.997 125.569 119.914 -0.569 0.000 2.432 416 V HA 0.093 4.213 4.120 0.000 0.000 0.271 416 V C 0.662 176.493 176.094 -0.438 0.000 1.046 416 V CA 0.032 62.122 62.300 -0.351 0.000 0.945 416 V CB 1.349 33.035 31.823 -0.230 0.000 0.992 416 V HN 0.778 nan 8.190 nan 0.000 0.471 417 D N 1.690 121.963 120.400 -0.212 0.000 2.431 417 D HA 0.110 4.750 4.640 0.000 0.000 0.227 417 D C 0.100 176.045 176.300 -0.593 0.000 1.030 417 D CA 0.700 54.522 54.000 -0.297 0.000 0.897 417 D CB 0.558 41.242 40.800 -0.194 0.000 1.058 417 D HN 0.699 nan 8.370 nan 0.000 0.500 418 H N -0.177 118.887 119.070 -0.010 0.000 2.727 418 H HA 0.257 4.813 4.556 0.000 0.000 0.330 418 H C 0.116 175.429 175.328 -0.024 0.000 0.986 418 H CA -0.611 55.434 56.048 -0.005 0.000 1.251 418 H CB 1.489 31.194 29.762 -0.096 0.000 1.493 418 H HN -0.189 nan 8.280 nan 0.000 0.515 419 T N -0.485 114.134 114.554 0.110 0.000 2.802 419 T HA -0.019 4.331 4.350 0.000 0.000 0.305 419 T C 1.445 176.189 174.700 0.073 0.000 1.053 419 T CA -0.446 61.713 62.100 0.098 0.000 1.058 419 T CB 0.898 69.880 68.868 0.190 0.000 0.988 419 T HN 0.799 nan 8.240 nan 0.000 0.539 420 E N -0.048 120.141 120.200 -0.020 0.000 2.265 420 E HA -0.227 4.124 4.350 0.000 0.000 0.196 420 E C 1.575 178.110 176.600 -0.109 0.000 0.996 420 E CA 1.542 57.892 56.400 -0.084 0.000 0.832 420 E CB -0.734 28.898 29.700 -0.113 0.000 0.756 420 E HN 0.798 nan 8.360 nan 0.000 0.491 421 H N 0.619 119.726 119.070 0.061 0.000 2.489 421 H HA -0.048 4.508 4.556 0.000 0.000 0.293 421 H C 0.390 175.762 175.328 0.073 0.000 1.066 421 H CA 1.510 57.595 56.048 0.061 0.000 1.305 421 H CB 0.078 29.874 29.762 0.057 0.000 1.386 421 H HN 0.318 nan 8.280 nan 0.000 0.551 422 D N 0.467 120.985 120.400 0.198 0.000 2.424 422 D HA 0.149 4.789 4.640 0.000 0.000 0.220 422 D C -0.192 176.223 176.300 0.192 0.000 1.150 422 D CA 0.088 54.203 54.000 0.193 0.000 0.831 422 D CB 1.041 41.987 40.800 0.244 0.000 0.981 422 D HN -0.009 nan 8.370 nan 0.000 0.500 423 V N 1.419 121.407 119.914 0.123 0.000 2.482 423 V HA 0.187 4.307 4.120 0.000 0.000 0.295 423 V C 0.236 176.346 176.094 0.027 0.000 1.026 423 V CA -0.604 61.764 62.300 0.113 0.000 0.856 423 V CB 2.583 34.413 31.823 0.012 0.000 1.001 423 V HN -0.135 nan 8.190 nan 0.000 0.424 424 D N 3.096 123.501 120.400 0.007 0.000 2.394 424 D HA 0.243 4.884 4.640 0.000 0.000 0.226 424 D C 0.205 176.425 176.300 -0.134 0.000 0.990 424 D CA 0.951 54.919 54.000 -0.053 0.000 0.902 424 D CB 1.143 41.912 40.800 -0.052 0.000 1.038 424 D HN 0.265 nan 8.370 nan 0.000 0.499 425 I N 1.460 121.925 120.570 -0.174 0.000 2.607 425 I HA 0.326 4.496 4.170 0.000 0.000 0.290 425 I C -0.748 175.209 176.117 -0.267 0.000 1.129 425 I CA -0.465 60.654 61.300 -0.303 0.000 1.042 425 I CB 2.321 40.031 38.000 -0.484 0.000 1.242 425 I HN -0.208 nan 8.210 nan 0.000 0.421 426 L N 5.978 127.003 121.223 -0.330 0.000 2.362 426 L HA 0.779 5.120 4.340 0.000 0.000 0.275 426 L C -0.822 175.897 176.870 -0.252 0.000 0.998 426 L CA -0.911 53.687 54.840 -0.404 0.000 0.820 426 L CB 2.391 43.952 42.059 -0.829 0.000 1.270 426 L HN 0.233 nan 8.230 nan 0.000 0.415 427 V N 0.519 120.367 119.914 -0.109 0.000 2.686 427 V HA 0.705 4.825 4.120 0.000 0.000 0.306 427 V C -0.053 176.114 176.094 0.123 0.000 1.065 427 V CA -0.546 61.743 62.300 -0.019 0.000 0.894 427 V CB 1.864 33.665 31.823 -0.036 0.000 1.004 427 V HN 0.890 nan 8.190 nan 0.000 0.424 428 T N -0.824 113.803 114.554 0.122 0.000 2.773 428 T HA 0.430 4.780 4.350 0.000 0.000 0.278 428 T C 0.862 175.659 174.700 0.161 0.000 1.011 428 T CA 0.038 62.228 62.100 0.150 0.000 1.014 428 T CB 1.992 70.948 68.868 0.147 0.000 1.293 428 T HN 0.725 nan 8.240 nan 0.000 0.554 429 E N 0.237 120.533 120.200 0.161 0.000 2.265 429 E HA -0.201 4.149 4.350 0.000 0.000 0.196 429 E C 1.407 178.153 176.600 0.244 0.000 0.996 429 E CA 1.145 57.669 56.400 0.206 0.000 0.832 429 E CB -0.356 29.425 29.700 0.135 0.000 0.756 429 E HN 0.601 nan 8.360 nan 0.000 0.491 430 Q N 0.843 120.705 119.800 0.103 0.000 2.123 430 Q HA 0.150 4.490 4.340 0.000 0.000 0.199 430 Q C 1.212 177.099 176.000 -0.188 0.000 0.966 430 Q CA 1.405 57.216 55.803 0.013 0.000 0.845 430 Q CB 0.177 28.916 28.738 0.001 0.000 0.907 430 Q HN 0.454 nan 8.270 nan 0.000 0.439 431 G N -0.536 108.010 108.800 -0.424 0.000 2.333 431 G HA2 0.309 4.269 3.960 0.000 0.000 0.288 431 G HA3 0.309 4.269 3.960 0.000 0.000 0.288 431 G C -2.166 172.472 174.900 -0.437 0.000 1.286 431 G CA -0.640 43.962 45.100 -0.830 0.000 0.865 431 G HN 0.120 nan 8.290 nan 0.000 0.506 432 L N -0.034 120.996 121.223 -0.321 0.000 2.386 432 L HA 0.874 5.214 4.340 0.000 0.000 0.271 432 L C -0.018 176.752 176.870 -0.168 0.000 0.993 432 L CA -0.862 53.855 54.840 -0.204 0.000 0.819 432 L CB 1.899 43.853 42.059 -0.174 0.000 1.294 432 L HN 1.330 nan 8.230 nan 0.000 0.414 433 A N 2.901 125.610 122.820 -0.185 0.000 2.273 433 A HA 0.428 4.748 4.320 0.000 0.000 0.315 433 A C -1.108 176.351 177.584 -0.209 0.000 1.256 433 A CA -0.515 51.422 52.037 -0.167 0.000 0.851 433 A CB 0.697 19.601 19.000 -0.160 0.000 1.172 433 A HN 0.679 nan 8.150 nan 0.000 0.508 434 D N 3.161 123.468 120.400 -0.155 0.000 2.380 434 D HA 0.321 4.961 4.640 0.000 0.000 0.230 434 D C 0.516 176.766 176.300 -0.085 0.000 1.154 434 D CA -0.176 53.742 54.000 -0.136 0.000 0.859 434 D CB 0.621 41.410 40.800 -0.019 0.000 1.045 434 D HN 0.442 nan 8.370 nan 0.000 0.495 435 L N 2.915 124.079 121.223 -0.099 0.000 2.592 435 L HA 0.228 4.569 4.340 0.000 0.000 0.227 435 L C 1.159 178.011 176.870 -0.031 0.000 1.127 435 L CA -0.178 54.621 54.840 -0.070 0.000 0.884 435 L CB -0.069 41.937 42.059 -0.089 0.000 1.065 435 L HN 0.088 nan 8.230 nan 0.000 0.457 436 R N 0.969 121.460 120.500 -0.015 0.000 2.484 436 R HA 0.178 4.518 4.340 0.000 0.000 0.293 436 R C 1.258 177.570 176.300 0.021 0.000 1.023 436 R CA 0.750 56.857 56.100 0.011 0.000 1.037 436 R CB 0.147 30.466 30.300 0.031 0.000 0.951 436 R HN 0.298 nan 8.270 nan 0.000 0.418 437 G N 2.634 111.451 108.800 0.028 0.000 2.166 437 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 437 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 437 G C 0.129 175.048 174.900 0.032 0.000 0.986 437 G CA -0.005 45.116 45.100 0.035 0.000 0.683 437 G HN 0.439 nan 8.290 nan 0.000 0.527 438 L N 0.273 121.509 121.223 0.021 0.000 2.325 438 L HA 0.708 5.048 4.340 0.000 0.000 0.279 438 L C 1.040 177.925 176.870 0.024 0.000 1.054 438 L CA -0.446 54.405 54.840 0.018 0.000 0.804 438 L CB 1.478 43.536 42.059 -0.002 0.000 1.200 438 L HN 0.264 nan 8.230 nan 0.000 0.436 439 A N 4.219 127.060 122.820 0.034 0.000 2.313 439 A HA 0.418 4.738 4.320 0.000 0.000 0.261 439 A C -1.761 175.814 177.584 -0.016 0.000 1.090 439 A CA -1.183 50.875 52.037 0.034 0.000 0.807 439 A CB 0.054 19.094 19.000 0.066 0.000 1.055 439 A HN 0.594 nan 8.150 nan 0.000 0.492 440 P HA -0.160 nan 4.420 nan 0.000 0.215 440 P C 1.331 178.726 177.300 0.159 0.000 1.157 440 P CA 1.578 64.646 63.100 -0.054 0.000 0.874 440 P CB 0.029 31.456 31.700 -0.454 0.000 0.790 441 R N -0.324 120.251 120.500 0.126 0.000 2.120 441 R HA -0.117 4.223 4.340 0.000 0.000 0.234 441 R C 2.247 178.617 176.300 0.117 0.000 1.123 441 R CA 1.264 57.542 56.100 0.296 0.000 0.975 441 R CB -0.522 29.957 30.300 0.298 0.000 0.866 441 R HN 0.371 nan 8.270 nan 0.000 0.446 442 E N 0.155 120.389 120.200 0.057 0.000 2.072 442 E HA -0.139 4.211 4.350 0.000 0.000 0.191 442 E C 2.049 178.614 176.600 -0.058 0.000 0.985 442 E CA 0.774 57.177 56.400 0.004 0.000 0.801 442 E CB 0.002 29.712 29.700 0.017 0.000 0.750 442 E HN 0.250 nan 8.360 nan 0.000 0.452 443 R N 0.676 121.148 120.500 -0.047 0.000 2.083 443 R HA -0.159 4.181 4.340 0.000 0.000 0.237 443 R C 2.432 178.615 176.300 -0.194 0.000 1.137 443 R CA 1.323 57.372 56.100 -0.085 0.000 0.951 443 R CB -0.406 29.876 30.300 -0.031 0.000 0.851 443 R HN 0.129 nan 8.270 nan 0.000 0.434 444 A N 1.231 123.862 122.820 -0.316 0.000 1.883 444 A HA -0.212 4.108 4.320 0.000 0.000 0.217 444 A C 2.124 179.356 177.584 -0.586 0.000 1.186 444 A CA 1.500 53.149 52.037 -0.647 0.000 0.624 444 A CB -0.424 17.851 19.000 -1.208 0.000 0.822 444 A HN 0.256 nan 8.150 nan 0.000 0.444 445 R N -0.842 119.363 120.500 -0.491 0.000 2.073 445 R HA -0.070 4.270 4.340 0.000 0.000 0.234 445 R C 2.062 178.262 176.300 -0.166 0.000 1.134 445 R CA 1.448 57.376 56.100 -0.288 0.000 0.952 445 R CB -0.625 29.596 30.300 -0.132 0.000 0.850 445 R HN 0.384 nan 8.270 nan 0.000 0.433 446 V N 1.373 121.205 119.914 -0.137 0.000 2.295 446 V HA -0.239 3.881 4.120 0.000 0.000 0.246 446 V C 2.244 178.280 176.094 -0.096 0.000 1.049 446 V CA 1.752 63.995 62.300 -0.095 0.000 1.024 446 V CB -0.373 31.400 31.823 -0.083 0.000 0.648 446 V HN 0.267 nan 8.190 nan 0.000 0.447 447 I N -0.470 120.030 120.570 -0.117 0.000 2.202 447 I HA -0.240 3.930 4.170 0.000 0.000 0.242 447 I C 2.265 178.361 176.117 -0.035 0.000 1.091 447 I CA 1.746 63.010 61.300 -0.060 0.000 1.368 447 I CB -0.293 37.680 38.000 -0.044 0.000 1.058 447 I HN 0.221 nan 8.210 nan 0.000 0.410 448 I N 0.461 120.974 120.570 -0.094 0.000 2.226 448 I HA -0.286 3.884 4.170 0.000 0.000 0.245 448 I C 2.594 178.699 176.117 -0.021 0.000 1.100 448 I CA 1.323 62.592 61.300 -0.052 0.000 1.374 448 I CB -0.309 37.639 38.000 -0.087 0.000 1.057 448 I HN 0.219 nan 8.210 nan 0.000 0.413 449 E N 1.393 121.569 120.200 -0.040 0.000 2.110 449 E HA -0.194 4.157 4.350 0.000 0.000 0.193 449 E C 1.652 178.234 176.600 -0.029 0.000 0.988 449 E CA 1.862 58.246 56.400 -0.026 0.000 0.804 449 E CB -0.075 29.606 29.700 -0.032 0.000 0.745 449 E HN 0.514 nan 8.360 nan 0.000 0.458 450 N N -2.095 116.581 118.700 -0.040 0.000 2.482 450 N HA 0.071 4.811 4.740 0.000 0.000 0.179 450 N C 1.105 176.582 175.510 -0.055 0.000 1.039 450 N CA 0.792 53.803 53.050 -0.064 0.000 0.884 450 N CB 0.304 38.739 38.487 -0.087 0.000 1.113 450 N HN 0.137 nan 8.380 nan 0.000 0.440 451 C N 0.027 119.333 119.300 0.009 0.000 2.791 451 C HA 0.350 4.811 4.460 0.000 0.000 0.288 451 C C 0.723 175.760 174.990 0.077 0.000 1.271 451 C CA -0.553 58.512 59.018 0.078 0.000 1.726 451 C CB 0.064 27.958 27.740 0.256 0.000 2.145 451 C HN 0.053 nan 8.230 nan 0.000 0.572 452 V N 2.024 121.976 119.914 0.064 0.000 2.607 452 V HA 0.175 4.295 4.120 0.000 0.000 0.289 452 V C 0.442 176.610 176.094 0.124 0.000 1.053 452 V CA -0.289 62.063 62.300 0.088 0.000 0.996 452 V CB 0.445 32.330 31.823 0.103 0.000 0.995 452 V HN 0.479 nan 8.190 nan 0.000 0.476 453 H N 6.591 125.713 119.070 0.087 0.000 2.848 453 H HA 0.077 4.633 4.556 0.000 0.000 0.341 453 H C -1.736 173.660 175.328 0.113 0.000 1.060 453 H CA -1.305 54.808 56.048 0.108 0.000 1.444 453 H CB 1.777 31.633 29.762 0.157 0.000 1.446 453 H HN 0.370 nan 8.280 nan 0.000 0.583 454 P HA -0.217 nan 4.420 nan 0.000 0.218 454 P C 1.402 178.760 177.300 0.097 0.000 1.152 454 P CA 2.432 65.495 63.100 -0.062 0.000 0.857 454 P CB 0.071 31.663 31.700 -0.180 0.000 0.787 455 S N -3.551 112.342 115.700 0.322 0.000 2.561 455 S HA -0.058 4.412 4.470 0.000 0.000 0.225 455 S C 1.438 175.936 174.600 -0.171 0.000 0.977 455 S CA 0.492 58.737 58.200 0.075 0.000 0.926 455 S CB -1.075 62.133 63.200 0.014 0.000 0.769 455 S HN 0.160 nan 8.310 nan 0.000 0.533 456 Y N 0.836 121.211 120.300 0.125 0.000 2.442 456 Y HA 0.384 4.934 4.550 0.000 0.000 0.250 456 Y C 2.478 178.476 175.900 0.164 0.000 1.113 456 Y CA -0.472 57.681 58.100 0.088 0.000 1.273 456 Y CB -0.085 38.412 38.460 0.061 0.000 1.138 456 Y HN 0.229 nan 8.280 nan 0.000 0.522 457 Q N 0.526 120.465 119.800 0.232 0.000 2.077 457 Q HA -0.235 4.106 4.340 0.000 0.000 0.206 457 Q C 2.366 178.463 176.000 0.161 0.000 0.989 457 Q CA 2.124 58.028 55.803 0.169 0.000 0.853 457 Q CB -0.106 28.692 28.738 0.100 0.000 0.907 457 Q HN 0.510 nan 8.270 nan 0.000 0.418 458 A N 0.390 123.290 122.820 0.133 0.000 1.898 458 A HA -0.032 4.289 4.320 0.000 0.000 0.214 458 A C -0.593 177.098 177.584 0.179 0.000 1.183 458 A CA 0.804 52.916 52.037 0.125 0.000 0.622 458 A CB -1.362 17.685 19.000 0.078 0.000 0.824 458 A HN 0.315 nan 8.150 nan 0.000 0.444 459 P HA -0.148 nan 4.420 nan 0.000 0.216 459 P C 1.491 179.044 177.300 0.421 0.000 1.150 459 P CA 0.770 64.081 63.100 0.352 0.000 0.843 459 P CB 0.005 31.970 31.700 0.443 0.000 0.787 460 L N -1.367 120.102 121.223 0.409 0.000 2.072 460 L HA -0.050 4.290 4.340 0.000 0.000 0.205 460 L C 2.192 179.202 176.870 0.234 0.000 1.079 460 L CA 1.490 56.482 54.840 0.253 0.000 0.752 460 L CB -1.644 40.547 42.059 0.220 0.000 0.906 460 L HN -0.118 nan 8.230 nan 0.000 0.436 461 L N -0.392 120.958 121.223 0.211 0.000 2.012 461 L HA -0.237 4.103 4.340 0.000 0.000 0.210 461 L C 2.085 179.096 176.870 0.236 0.000 1.073 461 L CA 1.855 56.827 54.840 0.221 0.000 0.748 461 L CB -0.892 41.263 42.059 0.160 0.000 0.891 461 L HN 0.304 nan 8.230 nan 0.000 0.431 462 D N -1.534 118.986 120.400 0.200 0.000 2.104 462 D HA -0.293 4.347 4.640 0.000 0.000 0.194 462 D C 2.026 178.420 176.300 0.156 0.000 0.994 462 D CA 1.893 55.987 54.000 0.156 0.000 0.830 462 D CB -0.544 40.349 40.800 0.154 0.000 0.959 462 D HN 0.509 nan 8.370 nan 0.000 0.452 463 Y N 0.378 120.733 120.300 0.093 0.000 2.114 463 Y HA -0.312 4.239 4.550 0.000 0.000 0.282 463 Y C 2.241 178.188 175.900 0.077 0.000 1.165 463 Y CA 1.650 59.781 58.100 0.053 0.000 1.148 463 Y CB -0.468 37.976 38.460 -0.028 0.000 0.972 463 Y HN -0.039 nan 8.280 nan 0.000 0.504 464 F N 1.224 121.247 119.950 0.122 0.000 2.084 464 F HA -0.138 4.389 4.527 0.001 0.000 0.296 464 F C 2.153 177.926 175.800 -0.044 0.000 1.111 464 F CA 2.232 60.253 58.000 0.035 0.000 1.224 464 F CB -0.720 38.303 39.000 0.038 0.000 0.991 464 F HN 0.139 nan 8.300 nan 0.000 0.471 465 E N 0.354 120.463 120.200 -0.152 0.000 2.085 465 E HA -0.215 4.135 4.350 0.000 0.000 0.194 465 E C 2.372 178.823 176.600 -0.250 0.000 0.994 465 E CA 1.145 57.389 56.400 -0.260 0.000 0.801 465 E CB -0.508 29.162 29.700 -0.049 0.000 0.743 465 E HN 0.505 nan 8.360 nan 0.000 0.453 466 A N 1.520 124.230 122.820 -0.182 0.000 1.902 466 A HA -0.110 4.211 4.320 0.000 0.000 0.217 466 A C 2.402 179.832 177.584 -0.256 0.000 1.181 466 A CA 1.667 53.594 52.037 -0.183 0.000 0.623 466 A CB -0.609 18.309 19.000 -0.137 0.000 0.818 466 A HN 0.294 nan 8.150 nan 0.000 0.443 467 A N -0.965 121.630 122.820 -0.375 0.000 1.902 467 A HA -0.176 4.144 4.320 0.000 0.000 0.217 467 A C 2.277 179.693 177.584 -0.280 0.000 1.181 467 A CA 1.646 53.469 52.037 -0.356 0.000 0.623 467 A CB -1.322 17.417 19.000 -0.436 0.000 0.818 467 A HN 0.600 nan 8.150 nan 0.000 0.443 468 C N -0.903 118.166 119.300 -0.385 0.000 2.413 468 C HA -0.015 4.445 4.460 0.000 0.000 0.277 468 C C 3.254 178.121 174.990 -0.206 0.000 1.265 468 C CA 0.762 59.575 59.018 -0.341 0.000 1.752 468 C CB -1.419 26.016 27.740 -0.508 0.000 1.998 468 C HN 0.704 nan 8.230 nan 0.000 0.489 469 A N 0.606 123.316 122.820 -0.185 0.000 2.024 469 A HA -0.170 4.151 4.320 0.000 0.000 0.220 469 A C 2.019 179.546 177.584 -0.095 0.000 1.164 469 A CA 1.476 53.440 52.037 -0.121 0.000 0.643 469 A CB -0.277 18.660 19.000 -0.105 0.000 0.806 469 A HN 0.695 nan 8.150 nan 0.000 0.451 470 K N -0.517 119.820 120.400 -0.104 0.000 2.444 470 K HA 0.292 4.612 4.320 0.000 0.000 0.193 470 K C 1.009 177.571 176.600 -0.064 0.000 1.024 470 K CA 0.638 56.881 56.287 -0.074 0.000 1.077 470 K CB -0.525 31.934 32.500 -0.068 0.000 0.833 470 K HN 0.724 nan 8.250 nan 0.000 0.517 471 G N 0.757 109.509 108.800 -0.081 0.000 2.760 471 G HA2 0.114 4.074 3.960 0.000 0.000 0.246 471 G HA3 0.114 4.074 3.960 0.000 0.000 0.246 471 G C -0.004 174.864 174.900 -0.053 0.000 1.359 471 G CA -0.223 44.840 45.100 -0.061 0.000 0.861 471 G HN 0.663 nan 8.290 nan 0.000 0.541 472 G N -2.236 106.548 108.800 -0.027 0.000 2.539 472 G HA2 0.336 4.296 3.960 0.000 0.000 0.686 472 G HA3 0.336 4.296 3.960 0.000 0.000 0.686 472 G C 0.408 175.315 174.900 0.012 0.000 1.258 472 G CA 0.716 45.813 45.100 -0.005 0.000 0.846 472 G HN 2.138 nan 8.290 nan 0.000 0.647 473 H N 0.021 119.054 119.070 -0.062 0.000 2.387 473 H HA -0.013 4.543 4.556 0.000 0.000 0.299 473 H C 0.699 175.946 175.328 -0.134 0.000 1.090 473 H CA 1.864 57.873 56.048 -0.066 0.000 1.332 473 H CB 0.431 30.162 29.762 -0.052 0.000 1.386 473 H HN 0.425 nan 8.280 nan 0.000 0.516 474 T N 4.079 118.471 114.554 -0.270 0.000 3.150 474 T HA 0.273 4.623 4.350 0.000 0.000 0.383 474 T C -2.666 171.752 174.700 -0.470 0.000 1.313 474 T CA -1.183 60.549 62.100 -0.615 0.000 1.235 474 T CB 1.710 70.226 68.868 -0.587 0.000 1.088 474 T HN 0.250 nan 8.240 nan 0.000 0.556 475 P HA 0.323 nan 4.420 nan 0.000 0.271 475 P C -0.383 176.806 177.300 -0.186 0.000 1.216 475 P CA -0.172 62.832 63.100 -0.160 0.000 0.771 475 P CB 0.555 32.181 31.700 -0.124 0.000 0.864 476 H N 1.186 120.269 119.070 0.022 0.000 2.961 476 H HA 0.388 4.945 4.556 0.000 0.000 0.371 476 H C -0.630 174.645 175.328 -0.087 0.000 1.190 476 H CA -0.627 55.467 56.048 0.076 0.000 1.138 476 H CB 1.501 31.363 29.762 0.167 0.000 1.816 476 H HN 0.229 nan 8.280 nan 0.000 0.551 477 L N 3.539 124.760 121.223 -0.004 0.000 2.259 477 L HA 0.205 4.546 4.340 0.000 0.000 0.288 477 L C 1.644 178.594 176.870 0.133 0.000 1.051 477 L CA -0.265 54.567 54.840 -0.013 0.000 0.824 477 L CB 0.911 42.889 42.059 -0.135 0.000 1.206 477 L HN 0.436 nan 8.230 nan 0.000 0.429 478 L N 2.425 123.697 121.223 0.081 0.000 2.131 478 L HA -0.149 4.192 4.340 0.000 0.000 0.210 478 L C 2.543 179.450 176.870 0.063 0.000 1.092 478 L CA 1.388 56.265 54.840 0.061 0.000 0.759 478 L CB -0.356 41.723 42.059 0.034 0.000 0.903 478 L HN 0.665 nan 8.230 nan 0.000 0.435 479 R N -0.357 120.182 120.500 0.064 0.000 2.115 479 R HA -0.109 4.232 4.340 0.000 0.000 0.230 479 R C 1.585 177.945 176.300 0.099 0.000 1.111 479 R CA 0.891 57.031 56.100 0.068 0.000 0.976 479 R CB 0.054 30.387 30.300 0.056 0.000 0.870 479 R HN 0.340 nan 8.270 nan 0.000 0.445 480 E N -0.725 119.564 120.200 0.149 0.000 2.490 480 E HA 0.144 4.494 4.350 0.000 0.000 0.209 480 E C 1.524 178.229 176.600 0.175 0.000 0.971 480 E CA 0.302 56.821 56.400 0.198 0.000 0.988 480 E CB 0.512 30.381 29.700 0.281 0.000 1.029 480 E HN 0.198 nan 8.360 nan 0.000 0.496 481 A N 1.112 124.046 122.820 0.190 0.000 1.940 481 A HA -0.113 4.208 4.320 0.000 0.000 0.219 481 A C 1.965 179.517 177.584 -0.054 0.000 1.176 481 A CA 1.141 53.208 52.037 0.049 0.000 0.631 481 A CB -0.358 18.637 19.000 -0.008 0.000 0.814 481 A HN 0.203 nan 8.150 nan 0.000 0.446 482 L N -1.501 119.744 121.223 0.037 0.000 2.728 482 L HA 0.247 4.587 4.340 0.000 0.000 0.238 482 L C 2.340 179.324 176.870 0.190 0.000 1.143 482 L CA 0.326 55.252 54.840 0.142 0.000 0.937 482 L CB 0.087 42.192 42.059 0.077 0.000 1.225 482 L HN 0.349 nan 8.230 nan 0.000 0.507 483 A N 0.112 123.008 122.820 0.126 0.000 1.930 483 A HA -0.171 4.149 4.320 0.000 0.000 0.217 483 A C 1.732 179.494 177.584 0.298 0.000 1.175 483 A CA 1.128 53.278 52.037 0.190 0.000 0.627 483 A CB -0.496 18.622 19.000 0.197 0.000 0.815 483 A HN 0.498 nan 8.150 nan 0.000 0.443 484 W N 0.265 121.543 121.300 -0.037 0.000 2.338 484 W HA -0.119 4.542 4.660 0.000 0.000 0.304 484 W C 2.444 178.856 176.519 -0.178 0.000 1.212 484 W CA 1.103 58.369 57.345 -0.133 0.000 1.264 484 W CB -1.213 28.096 29.460 -0.252 0.000 1.142 484 W HN 0.555 nan 8.180 nan 0.000 0.512 485 H N -0.855 118.342 119.070 0.212 0.000 2.357 485 H HA -0.099 4.457 4.556 0.000 0.000 0.301 485 H C 2.165 177.548 175.328 0.092 0.000 1.082 485 H CA 1.556 57.672 56.048 0.113 0.000 1.342 485 H CB -0.872 28.932 29.762 0.071 0.000 1.389 485 H HN 0.090 nan 8.280 nan 0.000 0.511 486 L N 1.725 123.075 121.223 0.210 0.000 2.046 486 L HA -0.154 4.186 4.340 0.000 0.000 0.208 486 L C 1.813 178.749 176.870 0.111 0.000 1.077 486 L CA 1.391 56.314 54.840 0.138 0.000 0.747 486 L CB -0.574 41.558 42.059 0.122 0.000 0.896 486 L HN 0.064 nan 8.230 nan 0.000 0.432 487 N N -0.421 118.353 118.700 0.123 0.000 2.104 487 N HA -0.207 4.534 4.740 0.000 0.000 0.190 487 N C 1.778 177.329 175.510 0.068 0.000 1.024 487 N CA 1.653 54.759 53.050 0.093 0.000 0.853 487 N CB -0.593 37.955 38.487 0.101 0.000 1.008 487 N HN 0.324 nan 8.380 nan 0.000 0.424 488 L N 1.554 122.811 121.223 0.058 0.000 2.017 488 L HA -0.092 4.248 4.340 0.000 0.000 0.208 488 L C 2.112 179.002 176.870 0.035 0.000 1.073 488 L CA 1.794 56.648 54.840 0.025 0.000 0.745 488 L CB -0.750 41.309 42.059 0.001 0.000 0.894 488 L HN 0.163 nan 8.230 nan 0.000 0.432 489 E N -1.058 119.174 120.200 0.054 0.000 2.047 489 E HA -0.200 4.150 4.350 0.000 0.000 0.191 489 E C 1.989 178.613 176.600 0.039 0.000 0.987 489 E CA 1.171 57.599 56.400 0.047 0.000 0.799 489 E CB 0.094 29.830 29.700 0.061 0.000 0.752 489 E HN 0.454 nan 8.360 nan 0.000 0.449 490 E N -0.055 120.173 120.200 0.046 0.000 2.112 490 E HA -0.069 4.282 4.350 0.000 0.000 0.190 490 E C 1.481 178.100 176.600 0.032 0.000 0.979 490 E CA 0.967 57.390 56.400 0.038 0.000 0.814 490 E CB 0.135 29.861 29.700 0.042 0.000 0.762 490 E HN 0.166 nan 8.360 nan 0.000 0.460 491 R N -1.578 118.944 120.500 0.037 0.000 2.531 491 R HA 0.238 4.579 4.340 0.000 0.000 0.316 491 R C 0.931 177.257 176.300 0.044 0.000 0.955 491 R CA 0.472 56.593 56.100 0.035 0.000 1.120 491 R CB 1.257 31.576 30.300 0.032 0.000 1.361 491 R HN 0.190 nan 8.270 nan 0.000 0.534 492 G N 0.831 109.654 108.800 0.039 0.000 2.184 492 G HA2 -0.313 3.647 3.960 0.000 0.000 0.264 492 G HA3 -0.313 3.647 3.960 0.000 0.000 0.264 492 G C -0.025 174.902 174.900 0.044 0.000 0.975 492 G CA 0.710 45.828 45.100 0.029 0.000 0.642 492 G HN 0.453 nan 8.290 nan 0.000 0.536 496 A N 1.516 124.277 122.820 -0.098 0.000 2.671 496 A HA 0.629 4.949 4.320 0.000 0.000 0.306 496 A C 0.793 178.377 177.584 0.000 0.000 1.473 496 A CA 0.519 52.514 52.037 -0.071 0.000 1.155 496 A CB -0.384 18.591 19.000 -0.040 0.000 1.123 496 A HN 0.218 nan 8.150 nan 0.000 0.545 497 G N 0.000 108.806 108.800 0.010 0.000 5.446 497 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 497 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 497 G CA 0.000 45.130 45.100 0.050 0.000 0.502 497 G HN 0.000 nan 8.290 nan 0.000 0.925