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 2v45_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADNRPEKWVK GVCRYCGTGC GVLVGVKDGK AVAIQGNPNN HNAGLLCLKG DATA SEQUENCE SLLIPVLNSK ERVTQPLVRR HKGGKLEPVS WDEALDLMAS RFRSSIDMYG DATA SEQUENCE PNSVAWYGSG QCLTEESYVA NKIFKGGFGT NNVDGNPRLC MASAVGGYVT DATA SEQUENCE SFGKDEPMGT YADIDQATCF FIIGSNTSEA HPVLFRRIAR RKQVEPGVKI DATA SEQUENCE IVADPRRTNT SRIADMHVAF RPGTDLAFMH SMAWVIINEE LDNPRFWQRY DATA SEQUENCE VNFMDAEGKP SDFEGYKAFL ENYRPEKVAE ICRVPVEQIY GAARAFAESA DATA SEQUENCE ATMSLWCMGI NQRVQGVFAN NLIHNLHLIT GQICRPGATS FSLTGQPNAC DATA SEQUENCE GGVRDGGALS HLLPAGRAIP NAKHRAEMEK LWGLPEGRIA PEPGYHTVAL DATA SEQUENCE FEALGRGDVK CMIICETNPA HTLPNLNKVH KAMSHPESFI VCIEAFPDAV DATA SEQUENCE TLEYADLVLP PAFWCERDGV YGCGERRYSL TEKAVDPPGQ CRPTVNTLVE DATA SEQUENCE FARRAGVDPQ LVNFRNAEDV WNEWRMVSKG TTYDFWGMTR ERLRKESGLI DATA SEQUENCE WPCPSEDHPG TSLRYVRGQD PCVPADHPDR FFFYGKPDGR AVIWMRPAKG DATA SEQUENCE AAEEPDAEYP LYLTSMRVID HWHTATMTGK VPELQKANPI AFVEINEEDA DATA SEQUENCE ARTGIKHGDS VIVETRRDAM ELPARVSDVC RPGLIAVPFF DPKKLVNKLF DATA SEQUENCE LDATDPVSRE PEYKICAARV RKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.593 177.584 0.016 0.000 1.274 1 A CA 0.000 52.047 52.037 0.017 0.000 0.836 1 A CB 0.000 19.007 19.000 0.011 0.000 0.831 2 D N 0.578 120.985 120.400 0.012 0.000 2.419 2 D HA 0.667 5.308 4.640 0.002 0.000 0.234 2 D C -0.917 175.380 176.300 -0.005 0.000 1.014 2 D CA -0.457 53.548 54.000 0.008 0.000 0.919 2 D CB 1.783 42.589 40.800 0.009 0.000 1.366 2 D HN 0.435 nan 8.370 nan 0.000 0.490 3 N N 0.563 119.257 118.700 -0.010 0.000 2.926 3 N HA 0.169 4.910 4.740 0.002 0.000 0.201 3 N C -1.545 173.947 175.510 -0.029 0.000 1.419 3 N CA -0.378 52.658 53.050 -0.022 0.000 0.838 3 N CB 0.419 38.895 38.487 -0.017 0.000 1.534 3 N HN 0.440 nan 8.380 nan 0.000 0.569 4 R N -0.014 120.459 120.500 -0.045 0.000 1.916 4 R HA -0.074 4.267 4.340 0.002 0.000 0.427 4 R C -2.997 173.237 176.300 -0.109 0.000 1.282 4 R CA -0.676 55.392 56.100 -0.053 0.000 0.850 4 R CB -0.193 30.101 30.300 -0.010 0.000 2.664 4 R HN 0.103 nan 8.270 nan 0.000 0.561 5 P HA -0.041 nan 4.420 nan 0.000 0.263 5 P C 0.209 177.330 177.300 -0.299 0.000 1.195 5 P CA 0.232 63.096 63.100 -0.393 0.000 0.762 5 P CB 0.554 31.723 31.700 -0.884 0.000 0.799 6 E N 4.392 124.442 120.200 -0.251 0.000 2.170 6 E HA -0.049 4.302 4.350 0.002 0.000 0.191 6 E C 0.164 176.660 176.600 -0.174 0.000 0.981 6 E CA 0.543 56.847 56.400 -0.160 0.000 0.830 6 E CB 0.028 29.662 29.700 -0.110 0.000 0.775 6 E HN 0.496 nan 8.360 nan 0.000 0.470 7 K N -0.526 119.704 120.400 -0.283 0.000 2.482 7 K HA 0.466 4.787 4.320 0.002 0.000 0.257 7 K C -1.897 174.456 176.600 -0.412 0.000 0.969 7 K CA -0.971 55.185 56.287 -0.219 0.000 0.842 7 K CB 1.162 33.596 32.500 -0.109 0.000 1.359 7 K HN -0.027 nan 8.250 nan 0.000 0.441 8 W N 1.390 122.662 121.300 -0.047 0.000 2.538 8 W HA 0.460 5.121 4.660 0.002 0.000 0.322 8 W C -1.138 175.339 176.519 -0.069 0.000 1.028 8 W CA -0.795 56.518 57.345 -0.053 0.000 1.228 8 W CB 2.236 31.672 29.460 -0.041 0.000 1.356 8 W HN 0.177 nan 8.180 nan 0.000 0.452 9 V N 3.842 123.828 119.914 0.121 0.000 2.357 9 V HA 0.255 4.376 4.120 0.002 0.000 0.284 9 V C 0.210 176.303 176.094 -0.000 0.000 1.018 9 V CA -1.538 60.767 62.300 0.008 0.000 0.841 9 V CB 1.147 32.913 31.823 -0.094 0.000 0.991 9 V HN 0.414 nan 8.190 nan 0.000 0.437 10 K N 3.279 123.672 120.400 -0.011 0.000 2.412 10 K HA 0.533 4.854 4.320 0.002 0.000 0.281 10 K C 0.444 177.001 176.600 -0.072 0.000 1.027 10 K CA 0.516 56.789 56.287 -0.024 0.000 0.989 10 K CB 0.612 33.097 32.500 -0.025 0.000 0.935 10 K HN 0.946 nan 8.250 nan 0.000 0.475 11 G N 1.708 110.479 108.800 -0.049 0.000 2.871 11 G HA2 0.495 4.456 3.960 0.002 0.000 0.282 11 G HA3 0.495 4.456 3.960 0.002 0.000 0.282 11 G C -1.571 173.346 174.900 0.028 0.000 1.212 11 G CA -0.562 44.498 45.100 -0.067 0.000 0.812 11 G HN 0.455 nan 8.290 nan 0.000 0.547 12 V N -0.330 119.641 119.914 0.095 0.000 2.789 12 V HA 0.436 4.557 4.120 0.002 0.000 0.311 12 V C 0.129 176.390 176.094 0.279 0.000 1.073 12 V CA -0.936 61.471 62.300 0.179 0.000 0.921 12 V CB 1.452 33.400 31.823 0.208 0.000 1.009 12 V HN 1.030 nan 8.190 nan 0.000 0.426 13 C N 3.737 123.133 119.300 0.160 0.000 2.642 13 C HA 0.206 4.667 4.460 0.002 0.000 0.420 13 C C 2.065 176.935 174.990 -0.200 0.000 1.349 13 C CA 0.080 59.078 59.018 -0.034 0.000 1.821 13 C CB 0.145 27.863 27.740 -0.037 0.000 2.637 13 C HN 1.015 nan 8.230 nan 0.000 0.605 14 R N 3.267 123.298 120.500 -0.783 0.000 2.235 14 R HA 0.046 4.387 4.340 0.002 0.000 0.213 14 R C 0.448 176.213 176.300 -0.893 0.000 1.059 14 R CA 1.603 57.150 56.100 -0.923 0.000 0.997 14 R CB -0.575 28.762 30.300 -1.604 0.000 0.884 14 R HN 0.908 nan 8.270 nan 0.000 0.462 15 Y N -0.881 119.027 120.300 -0.653 0.000 3.261 15 Y HA 0.131 4.682 4.550 0.002 0.000 0.402 15 Y C 1.621 177.158 175.900 -0.605 0.000 1.018 15 Y CA -0.419 57.055 58.100 -1.043 0.000 1.583 15 Y CB -0.887 37.057 38.460 -0.859 0.000 1.391 15 Y HN 0.044 nan 8.280 nan 0.000 0.689 16 C N 0.884 120.145 119.300 -0.063 0.000 2.758 16 C HA 0.378 4.839 4.460 0.002 0.000 0.371 16 C C 1.968 177.083 174.990 0.207 0.000 1.342 16 C CA -0.386 58.729 59.018 0.162 0.000 2.257 16 C CB -0.329 27.506 27.740 0.158 0.000 2.621 16 C HN 0.884 nan 8.230 nan 0.000 0.730 17 G N 0.511 109.502 108.800 0.318 0.000 2.882 17 G HA2 0.096 4.057 3.960 0.002 0.000 0.206 17 G HA3 0.096 4.057 3.960 0.002 0.000 0.206 17 G C 1.076 176.202 174.900 0.376 0.000 1.155 17 G CA 0.854 46.146 45.100 0.321 0.000 0.800 17 G HN 0.895 nan 8.290 nan 0.000 0.524 18 T N 0.609 115.391 114.554 0.380 0.000 2.746 18 T HA 0.150 4.501 4.350 0.002 0.000 0.267 18 T C 1.920 176.867 174.700 0.412 0.000 1.039 18 T CA 1.476 63.749 62.100 0.288 0.000 1.142 18 T CB -0.330 68.660 68.868 0.203 0.000 0.866 18 T HN 1.088 nan 8.240 nan 0.000 0.444 19 G N 0.761 109.769 108.800 0.345 0.000 2.248 19 G HA2 -0.243 3.718 3.960 0.002 0.000 0.263 19 G HA3 -0.243 3.718 3.960 0.002 0.000 0.263 19 G C 0.180 175.325 174.900 0.408 0.000 1.082 19 G CA -0.298 45.030 45.100 0.379 0.000 0.863 19 G HN 0.641 nan 8.290 nan 0.000 0.495 20 C N 0.635 120.050 119.300 0.192 0.000 2.634 20 C HA 0.524 4.985 4.460 0.002 0.000 0.418 20 C C 1.704 176.712 174.990 0.030 0.000 1.373 20 C CA 0.375 59.386 59.018 -0.012 0.000 1.756 20 C CB -0.039 27.690 27.740 -0.018 0.000 2.589 20 C HN 1.001 nan 8.230 nan 0.000 0.602 21 G N 2.707 111.484 108.800 -0.039 0.000 2.403 21 G HA2 0.477 4.438 3.960 0.002 0.000 0.259 21 G HA3 0.477 4.438 3.960 0.002 0.000 0.259 21 G C -0.633 174.273 174.900 0.009 0.000 1.244 21 G CA -0.070 45.036 45.100 0.009 0.000 0.849 21 G HN 0.682 nan 8.290 nan 0.000 0.532 22 V N 2.625 122.568 119.914 0.049 0.000 2.914 22 V HA 0.582 4.703 4.120 0.002 0.000 0.314 22 V C -0.388 175.747 176.094 0.068 0.000 1.084 22 V CA -0.776 61.573 62.300 0.081 0.000 0.963 22 V CB 2.160 34.089 31.823 0.177 0.000 1.025 22 V HN 0.613 nan 8.190 nan 0.000 0.432 23 L N 4.237 125.519 121.223 0.098 0.000 2.349 23 L HA 0.596 4.937 4.340 0.002 0.000 0.278 23 L C -0.874 176.211 176.870 0.358 0.000 0.996 23 L CA -0.789 54.156 54.840 0.175 0.000 0.825 23 L CB 1.959 44.058 42.059 0.067 0.000 1.243 23 L HN 0.294 nan 8.230 nan 0.000 0.412 24 V N 2.178 122.239 119.914 0.245 0.000 2.383 24 V HA 0.434 4.555 4.120 0.002 0.000 0.275 24 V C 0.741 176.838 176.094 0.005 0.000 1.036 24 V CA -0.437 61.932 62.300 0.116 0.000 0.889 24 V CB 1.473 33.227 31.823 -0.116 0.000 0.985 24 V HN 0.863 nan 8.190 nan 0.000 0.459 25 G N 3.786 112.435 108.800 -0.252 0.000 2.333 25 G HA2 0.511 4.472 3.960 0.002 0.000 0.290 25 G HA3 0.511 4.472 3.960 0.002 0.000 0.290 25 G C -0.565 174.035 174.900 -0.500 0.000 1.150 25 G CA -0.217 44.320 45.100 -0.940 0.000 0.895 25 G HN 0.828 nan 8.290 nan 0.000 0.444 26 V N 1.790 121.431 119.914 -0.454 0.000 2.628 26 V HA 0.975 5.096 4.120 0.002 0.000 0.306 26 V C -0.793 175.148 176.094 -0.255 0.000 1.045 26 V CA -1.211 60.924 62.300 -0.276 0.000 0.905 26 V CB 1.932 33.638 31.823 -0.196 0.000 0.997 26 V HN 0.803 nan 8.190 nan 0.000 0.436 27 K N 3.563 123.856 120.400 -0.178 0.000 2.482 27 K HA 0.528 4.849 4.320 0.002 0.000 0.251 27 K C -0.423 176.119 176.600 -0.096 0.000 0.936 27 K CA 0.082 56.286 56.287 -0.138 0.000 0.791 27 K CB 1.595 34.017 32.500 -0.130 0.000 1.213 27 K HN 0.776 nan 8.250 nan 0.000 0.428 28 D N 3.663 124.016 120.400 -0.079 0.000 2.701 28 D HA -0.189 4.452 4.640 0.002 0.000 0.235 28 D C 0.628 176.894 176.300 -0.057 0.000 1.155 28 D CA 2.116 56.081 54.000 -0.059 0.000 0.649 28 D CB -1.180 39.593 40.800 -0.046 0.000 1.050 28 D HN 1.146 nan 8.370 nan 0.000 0.425 29 G N -0.993 107.765 108.800 -0.069 0.000 2.168 29 G HA2 -0.355 3.606 3.960 0.002 0.000 0.263 29 G HA3 -0.355 3.606 3.960 0.002 0.000 0.263 29 G C 0.280 175.143 174.900 -0.062 0.000 0.977 29 G CA 0.780 45.841 45.100 -0.065 0.000 0.659 29 G HN 0.387 nan 8.290 nan 0.000 0.533 30 K N 0.238 120.598 120.400 -0.067 0.000 2.324 30 K HA 0.706 5.027 4.320 0.002 0.000 0.253 30 K C 0.228 176.784 176.600 -0.075 0.000 0.932 30 K CA -0.014 56.240 56.287 -0.054 0.000 0.799 30 K CB 1.933 34.412 32.500 -0.036 0.000 1.154 30 K HN 0.531 nan 8.250 nan 0.000 0.425 31 A N 2.159 124.944 122.820 -0.058 0.000 2.450 31 A HA 0.291 4.612 4.320 0.002 0.000 0.255 31 A C 0.929 178.487 177.584 -0.044 0.000 1.096 31 A CA -0.162 51.836 52.037 -0.065 0.000 0.778 31 A CB -0.009 18.976 19.000 -0.025 0.000 1.031 31 A HN 0.563 nan 8.150 nan 0.000 0.494 32 V N -1.167 118.699 119.914 -0.080 0.000 3.426 32 V HA 0.676 4.797 4.120 0.002 0.000 0.271 32 V C 0.460 176.532 176.094 -0.036 0.000 1.530 32 V CA 0.735 63.000 62.300 -0.058 0.000 1.021 32 V CB -0.827 30.947 31.823 -0.083 0.000 0.824 32 V HN 1.669 nan 8.190 nan 0.000 0.432 33 A N 0.052 122.837 122.820 -0.058 0.000 2.594 33 A HA 0.910 5.231 4.320 0.002 0.000 0.291 33 A C -1.556 176.116 177.584 0.147 0.000 1.105 33 A CA -0.498 51.566 52.037 0.044 0.000 0.694 33 A CB 2.351 21.386 19.000 0.057 0.000 1.291 33 A HN 0.630 nan 8.150 nan 0.000 0.410 34 I N 0.095 120.818 120.570 0.255 0.000 2.722 34 I HA 0.593 4.764 4.170 0.002 0.000 0.295 34 I C -0.890 175.387 176.117 0.267 0.000 1.161 34 I CA -0.364 61.116 61.300 0.301 0.000 1.032 34 I CB 2.110 40.248 38.000 0.229 0.000 1.244 34 I HN 0.996 nan 8.210 nan 0.000 0.421 35 Q N 5.086 125.010 119.800 0.206 0.000 2.615 35 Q HA 0.684 5.025 4.340 0.002 0.000 0.298 35 Q C -0.865 175.136 176.000 0.002 0.000 1.023 35 Q CA -1.145 54.678 55.803 0.034 0.000 0.768 35 Q CB 1.692 30.357 28.738 -0.121 0.000 1.500 35 Q HN 0.666 nan 8.270 nan 0.000 0.441 36 G N 0.272 109.047 108.800 -0.041 0.000 2.444 36 G HA2 0.182 4.143 3.960 0.002 0.000 0.268 36 G HA3 0.182 4.143 3.960 0.002 0.000 0.268 36 G C -0.790 174.061 174.900 -0.081 0.000 1.203 36 G CA -0.699 44.374 45.100 -0.045 0.000 0.835 36 G HN 0.691 nan 8.290 nan 0.000 0.543 37 N N 2.325 120.985 118.700 -0.067 0.000 2.405 37 N HA 0.153 4.894 4.740 0.002 0.000 0.260 37 N C -1.431 174.026 175.510 -0.088 0.000 1.152 37 N CA -1.557 51.447 53.050 -0.077 0.000 0.948 37 N CB 1.467 39.928 38.487 -0.045 0.000 1.111 37 N HN 0.061 nan 8.380 nan 0.000 0.485 38 P HA -0.100 nan 4.420 nan 0.000 0.221 38 P C 0.121 177.382 177.300 -0.065 0.000 1.145 38 P CA 1.082 64.129 63.100 -0.089 0.000 0.795 38 P CB 0.247 31.887 31.700 -0.100 0.000 0.775 39 N N -1.908 116.759 118.700 -0.055 0.000 2.299 39 N HA 0.020 4.761 4.740 0.002 0.000 0.187 39 N C 0.639 176.142 175.510 -0.011 0.000 1.099 39 N CA 0.212 53.243 53.050 -0.031 0.000 0.867 39 N CB -0.280 38.191 38.487 -0.027 0.000 0.974 39 N HN 0.156 nan 8.380 nan 0.000 0.477 40 N N 0.702 119.387 118.700 -0.026 0.000 2.413 40 N HA -0.013 4.728 4.740 0.002 0.000 0.266 40 N C 1.310 176.804 175.510 -0.027 0.000 1.238 40 N CA -0.117 52.930 53.050 -0.006 0.000 0.972 40 N CB 0.740 39.204 38.487 -0.038 0.000 1.210 40 N HN 0.222 nan 8.380 nan 0.000 0.547 41 H N -0.049 119.061 119.070 0.065 0.000 2.422 41 H HA -0.075 4.482 4.556 0.002 0.000 0.298 41 H C 1.209 176.563 175.328 0.042 0.000 1.098 41 H CA 1.904 57.998 56.048 0.076 0.000 1.315 41 H CB -0.249 29.615 29.762 0.169 0.000 1.382 41 H HN 0.540 nan 8.280 nan 0.000 0.523 42 N N 1.779 120.179 118.700 -0.500 0.000 2.550 42 N HA -0.083 4.658 4.740 0.002 0.000 0.186 42 N C 0.669 176.096 175.510 -0.138 0.000 1.110 42 N CA 0.821 53.695 53.050 -0.294 0.000 0.912 42 N CB -0.244 38.031 38.487 -0.354 0.000 0.968 42 N HN 0.670 nan 8.380 nan 0.000 0.448 43 A N 0.036 122.791 122.820 -0.109 0.000 2.312 43 A HA 0.032 4.353 4.320 0.002 0.000 0.286 43 A C 1.402 178.939 177.584 -0.078 0.000 1.425 43 A CA 1.409 53.404 52.037 -0.071 0.000 0.748 43 A CB -2.055 16.918 19.000 -0.044 0.000 1.126 43 A HN 1.435 nan 8.150 nan 0.000 0.368 44 G N -2.706 106.040 108.800 -0.090 0.000 2.205 44 G HA2 -0.125 3.836 3.960 0.002 0.000 0.261 44 G HA3 -0.125 3.836 3.960 0.002 0.000 0.261 44 G C 0.062 174.918 174.900 -0.073 0.000 0.980 44 G CA 0.662 45.710 45.100 -0.086 0.000 0.632 44 G HN 1.576 nan 8.290 nan 0.000 0.533 45 L N 0.738 121.918 121.223 -0.071 0.000 2.312 45 L HA 0.815 5.156 4.340 0.002 0.000 0.281 45 L C 0.456 177.298 176.870 -0.046 0.000 1.070 45 L CA -0.472 54.335 54.840 -0.054 0.000 0.805 45 L CB 1.428 43.456 42.059 -0.052 0.000 1.174 45 L HN 0.224 nan 8.230 nan 0.000 0.434 46 L N 2.290 123.498 121.223 -0.025 0.000 2.333 46 L HA 0.614 4.955 4.340 0.002 0.000 0.263 46 L C -0.052 176.814 176.870 -0.007 0.000 1.014 46 L CA -0.912 53.923 54.840 -0.009 0.000 0.820 46 L CB 2.137 44.201 42.059 0.008 0.000 1.352 46 L HN 0.750 nan 8.230 nan 0.000 0.421 47 C N -0.410 118.889 119.300 -0.002 0.000 2.517 47 C HA 0.365 4.826 4.460 0.002 0.000 0.357 47 C C 1.657 176.636 174.990 -0.019 0.000 1.485 47 C CA -0.666 58.344 59.018 -0.012 0.000 2.148 47 C CB 0.457 28.186 27.740 -0.019 0.000 2.019 47 C HN 0.850 nan 8.230 nan 0.000 0.576 48 L N 1.077 122.276 121.223 -0.040 0.000 2.131 48 L HA -0.026 4.315 4.340 0.002 0.000 0.210 48 L C 2.665 179.503 176.870 -0.054 0.000 1.092 48 L CA 1.815 56.626 54.840 -0.048 0.000 0.759 48 L CB -0.873 41.146 42.059 -0.067 0.000 0.903 48 L HN 0.810 nan 8.230 nan 0.000 0.435 49 K N -1.033 119.314 120.400 -0.088 0.000 2.025 49 K HA -0.078 4.243 4.320 0.002 0.000 0.207 49 K C 1.998 178.656 176.600 0.097 0.000 1.049 49 K CA 1.211 57.433 56.287 -0.109 0.000 0.933 49 K CB -0.677 31.603 32.500 -0.366 0.000 0.714 49 K HN 0.500 nan 8.250 nan 0.000 0.438 50 G N 0.436 109.296 108.800 0.101 0.000 2.422 50 G HA2 -0.221 3.740 3.960 0.002 0.000 0.218 50 G HA3 -0.221 3.740 3.960 0.002 0.000 0.218 50 G C 1.500 176.435 174.900 0.059 0.000 1.146 50 G CA 0.725 45.877 45.100 0.087 0.000 0.769 50 G HN 0.183 nan 8.290 nan 0.000 0.547 51 S N -0.179 115.549 115.700 0.046 0.000 2.507 51 S HA 0.126 4.597 4.470 0.002 0.000 0.235 51 S C 1.499 176.132 174.600 0.055 0.000 0.988 51 S CA 0.362 58.592 58.200 0.050 0.000 0.944 51 S CB -0.089 63.128 63.200 0.027 0.000 0.762 51 S HN 0.278 nan 8.310 nan 0.000 0.526 52 L N 0.943 122.195 121.223 0.048 0.000 3.110 52 L HA 0.263 4.604 4.340 0.002 0.000 0.266 52 L C 0.731 177.641 176.870 0.068 0.000 1.257 52 L CA -0.189 54.678 54.840 0.045 0.000 1.038 52 L CB 0.345 42.409 42.059 0.007 0.000 1.395 52 L HN 0.180 nan 8.230 nan 0.000 0.566 53 L N 0.190 121.455 121.223 0.070 0.000 2.217 53 L HA -0.085 4.256 4.340 0.002 0.000 0.211 53 L C 2.232 179.202 176.870 0.167 0.000 1.107 53 L CA 1.477 56.330 54.840 0.021 0.000 0.783 53 L CB -0.307 41.649 42.059 -0.173 0.000 0.919 53 L HN 0.250 nan 8.230 nan 0.000 0.442 54 I N 0.440 121.123 120.570 0.187 0.000 2.315 54 I HA -0.121 4.050 4.170 0.002 0.000 0.248 54 I C -0.243 175.970 176.117 0.161 0.000 1.117 54 I CA 0.858 62.280 61.300 0.204 0.000 1.404 54 I CB -2.429 35.660 38.000 0.149 0.000 1.071 54 I HN 0.165 nan 8.210 nan 0.000 0.419 55 P HA -0.082 nan 4.420 nan 0.000 0.221 55 P C 2.052 179.416 177.300 0.106 0.000 1.145 55 P CA 0.919 64.072 63.100 0.089 0.000 0.795 55 P CB 0.109 31.841 31.700 0.054 0.000 0.775 56 V N -0.884 119.113 119.914 0.139 0.000 2.379 56 V HA -0.127 3.994 4.120 0.002 0.000 0.243 56 V C 2.272 178.513 176.094 0.246 0.000 1.035 56 V CA 0.941 63.326 62.300 0.142 0.000 1.035 56 V CB -1.231 30.652 31.823 0.100 0.000 0.673 56 V HN 0.022 nan 8.190 nan 0.000 0.457 57 L N 1.136 122.632 121.223 0.456 0.000 2.137 57 L HA -0.191 4.150 4.340 0.002 0.000 0.213 57 L C 1.790 178.829 176.870 0.282 0.000 1.085 57 L CA 2.035 57.207 54.840 0.552 0.000 0.760 57 L CB -0.782 41.597 42.059 0.533 0.000 0.893 57 L HN 0.348 nan 8.230 nan 0.000 0.434 58 N N -1.482 117.332 118.700 0.190 0.000 2.236 58 N HA 0.056 4.797 4.740 0.002 0.000 0.196 58 N C 0.334 175.897 175.510 0.089 0.000 1.114 58 N CA 0.311 53.430 53.050 0.116 0.000 0.859 58 N CB 0.175 38.717 38.487 0.091 0.000 0.982 58 N HN 0.236 nan 8.380 nan 0.000 0.493 59 S N 1.048 116.809 115.700 0.103 0.000 2.537 59 S HA 0.048 4.519 4.470 0.002 0.000 0.286 59 S C 1.209 175.848 174.600 0.064 0.000 1.299 59 S CA -0.090 58.166 58.200 0.094 0.000 1.067 59 S CB 0.531 63.821 63.200 0.150 0.000 0.864 59 S HN -0.011 nan 8.310 nan 0.000 0.494 60 K N 3.367 123.796 120.400 0.050 0.000 2.444 60 K HA 0.099 4.420 4.320 0.002 0.000 0.193 60 K C 0.070 176.684 176.600 0.024 0.000 1.024 60 K CA 0.298 56.601 56.287 0.028 0.000 1.077 60 K CB -0.019 32.496 32.500 0.025 0.000 0.833 60 K HN 0.690 nan 8.250 nan 0.000 0.517 61 E N 2.016 122.251 120.200 0.058 0.000 1.852 61 E HA 0.050 4.401 4.350 0.002 0.000 0.276 61 E C -0.305 176.322 176.600 0.045 0.000 1.163 61 E CA 0.042 56.487 56.400 0.076 0.000 1.117 61 E CB 0.245 30.020 29.700 0.124 0.000 1.124 61 E HN -0.066 nan 8.360 nan 0.000 0.458 62 R N 0.751 121.217 120.500 -0.056 0.000 2.795 62 R HA 0.365 4.706 4.340 0.002 0.000 0.275 62 R C -0.880 175.342 176.300 -0.130 0.000 0.981 62 R CA -1.046 54.932 56.100 -0.203 0.000 0.917 62 R CB 1.897 32.047 30.300 -0.250 0.000 1.202 62 R HN 0.060 nan 8.270 nan 0.000 0.469 63 V N 2.562 122.377 119.914 -0.164 0.000 2.415 63 V HA 0.077 4.198 4.120 0.002 0.000 0.267 63 V C 1.272 177.319 176.094 -0.077 0.000 1.042 63 V CA 0.571 62.813 62.300 -0.097 0.000 1.000 63 V CB 0.635 32.407 31.823 -0.085 0.000 1.015 63 V HN 0.973 nan 8.190 nan 0.000 0.478 64 T N 0.905 115.432 114.554 -0.044 0.000 3.091 64 T HA 0.273 4.624 4.350 0.002 0.000 0.277 64 T C 0.140 174.848 174.700 0.014 0.000 0.996 64 T CA -0.307 61.791 62.100 -0.005 0.000 0.897 64 T CB 0.073 68.940 68.868 -0.002 0.000 1.109 64 T HN 0.714 nan 8.240 nan 0.000 0.534 65 Q N 0.015 119.792 119.800 -0.038 0.000 2.462 65 Q HA 0.612 4.953 4.340 0.002 0.000 0.285 65 Q C -3.495 172.379 176.000 -0.211 0.000 1.035 65 Q CA -2.497 53.255 55.803 -0.085 0.000 0.799 65 Q CB 1.565 30.273 28.738 -0.050 0.000 1.452 65 Q HN -0.074 nan 8.270 nan 0.000 0.404 66 P HA 0.219 nan 4.420 nan 0.000 0.271 66 P C -1.201 175.958 177.300 -0.235 0.000 1.218 66 P CA -0.250 62.575 63.100 -0.458 0.000 0.780 66 P CB 0.446 31.724 31.700 -0.703 0.000 0.901 67 L N 2.898 124.013 121.223 -0.179 0.000 2.401 67 L HA 0.601 4.942 4.340 0.002 0.000 0.266 67 L C -0.591 176.234 176.870 -0.075 0.000 0.991 67 L CA -0.685 54.093 54.840 -0.102 0.000 0.818 67 L CB 2.175 44.186 42.059 -0.080 0.000 1.321 67 L HN 0.112 nan 8.230 nan 0.000 0.413 68 V N 3.991 123.877 119.914 -0.046 0.000 2.823 68 V HA 0.651 4.772 4.120 0.002 0.000 0.312 68 V C -0.773 175.310 176.094 -0.018 0.000 1.072 68 V CA -0.712 61.577 62.300 -0.019 0.000 0.937 68 V CB 2.349 34.172 31.823 -0.000 0.000 1.013 68 V HN 0.811 nan 8.190 nan 0.000 0.430 69 R N 4.741 125.237 120.500 -0.006 0.000 2.288 69 R HA 0.478 4.819 4.340 0.002 0.000 0.326 69 R C 0.623 176.902 176.300 -0.034 0.000 0.959 69 R CA -0.738 55.355 56.100 -0.011 0.000 0.834 69 R CB 1.019 31.318 30.300 -0.001 0.000 1.157 69 R HN 0.715 nan 8.270 nan 0.000 0.470 70 R N 1.367 121.801 120.500 -0.111 0.000 2.115 70 R HA 0.035 4.376 4.340 0.002 0.000 0.226 70 R C 0.131 176.099 176.300 -0.553 0.000 1.100 70 R CA 1.053 56.959 56.100 -0.325 0.000 0.980 70 R CB 0.080 30.147 30.300 -0.390 0.000 0.875 70 R HN 0.581 nan 8.270 nan 0.000 0.445 71 H N -0.180 118.914 119.070 0.040 0.000 2.930 71 H HA 0.266 4.823 4.556 0.001 0.000 0.371 71 H C -0.267 175.081 175.328 0.033 0.000 1.169 71 H CA -0.948 55.122 56.048 0.037 0.000 1.157 71 H CB 1.550 31.326 29.762 0.023 0.000 1.789 71 H HN -0.317 nan 8.280 nan 0.000 0.547 72 K N 0.882 121.379 120.400 0.161 0.000 2.472 72 K HA 0.083 4.404 4.320 0.002 0.000 0.280 72 K C 1.140 177.782 176.600 0.069 0.000 1.028 72 K CA 0.906 57.251 56.287 0.097 0.000 1.045 72 K CB 0.061 32.614 32.500 0.088 0.000 0.902 72 K HN 1.059 nan 8.250 nan 0.000 0.478 73 G N 2.195 111.013 108.800 0.031 0.000 2.143 73 G HA2 -0.245 3.716 3.960 0.002 0.000 0.248 73 G HA3 -0.245 3.716 3.960 0.002 0.000 0.248 73 G C 0.554 175.464 174.900 0.016 0.000 0.991 73 G CA 0.281 45.383 45.100 0.003 0.000 0.689 73 G HN 0.848 nan 8.290 nan 0.000 0.522 74 G N -0.558 108.267 108.800 0.042 0.000 2.537 74 G HA2 0.704 4.665 3.960 0.002 0.000 0.297 74 G HA3 0.704 4.665 3.960 0.002 0.000 0.297 74 G C 0.162 175.069 174.900 0.013 0.000 1.310 74 G CA -0.269 44.860 45.100 0.047 0.000 1.027 74 G HN 0.894 nan 8.290 nan 0.000 0.505 75 K N -0.483 119.925 120.400 0.013 0.000 2.143 75 K HA 0.525 4.846 4.320 0.002 0.000 0.272 75 K C -0.559 176.037 176.600 -0.007 0.000 1.001 75 K CA -0.867 55.419 56.287 -0.003 0.000 0.915 75 K CB 1.381 33.880 32.500 -0.001 0.000 1.047 75 K HN 0.077 nan 8.250 nan 0.000 0.458 76 L N 3.612 124.825 121.223 -0.017 0.000 2.513 76 L HA 0.063 4.404 4.340 0.002 0.000 0.272 76 L C 0.239 177.097 176.870 -0.020 0.000 1.187 76 L CA 0.704 55.531 54.840 -0.021 0.000 0.895 76 L CB -0.480 41.562 42.059 -0.027 0.000 1.147 76 L HN 0.953 nan 8.230 nan 0.000 0.483 77 E N 4.675 124.861 120.200 -0.023 0.000 2.367 77 E HA 0.638 4.989 4.350 0.002 0.000 0.273 77 E C -2.832 173.750 176.600 -0.030 0.000 0.903 77 E CA -2.387 54.001 56.400 -0.021 0.000 0.764 77 E CB 1.573 31.266 29.700 -0.011 0.000 1.252 77 E HN 0.222 nan 8.360 nan 0.000 0.446 78 P HA 0.106 nan 4.420 nan 0.000 0.269 78 P C -0.964 176.314 177.300 -0.037 0.000 1.215 78 P CA -0.319 62.757 63.100 -0.039 0.000 0.780 78 P CB 0.721 32.406 31.700 -0.025 0.000 0.898 79 V N 0.784 120.665 119.914 -0.055 0.000 3.077 79 V HA 0.350 4.471 4.120 0.002 0.000 0.299 79 V C -0.289 175.772 176.094 -0.056 0.000 1.276 79 V CA -0.492 61.782 62.300 -0.043 0.000 0.993 79 V CB 2.361 34.157 31.823 -0.045 0.000 1.076 79 V HN 0.739 nan 8.190 nan 0.000 0.434 80 S N 2.886 118.583 115.700 -0.005 0.000 2.608 80 S HA 0.188 4.659 4.470 0.002 0.000 0.261 80 S C 0.528 175.156 174.600 0.046 0.000 1.314 80 S CA 0.295 58.519 58.200 0.040 0.000 0.992 80 S CB 0.631 63.884 63.200 0.087 0.000 0.935 80 S HN 0.798 nan 8.310 nan 0.000 0.564 81 W N 0.321 121.646 121.300 0.042 0.000 2.388 81 W HA 0.016 4.677 4.660 0.001 0.000 0.294 81 W C 1.616 178.171 176.519 0.060 0.000 1.212 81 W CA 0.976 58.352 57.345 0.051 0.000 1.271 81 W CB -0.137 29.349 29.460 0.045 0.000 1.126 81 W HN 0.728 nan 8.180 nan 0.000 0.535 82 D N -0.540 120.036 120.400 0.294 0.000 2.162 82 D HA -0.183 4.458 4.640 0.002 0.000 0.203 82 D C 1.799 178.192 176.300 0.156 0.000 0.967 82 D CA 1.497 55.619 54.000 0.202 0.000 0.840 82 D CB -0.581 40.303 40.800 0.140 0.000 0.972 82 D HN 0.281 nan 8.370 nan 0.000 0.482 83 E N 0.865 121.137 120.200 0.121 0.000 2.051 83 E HA -0.187 4.164 4.350 0.002 0.000 0.192 83 E C 1.962 178.622 176.600 0.101 0.000 0.991 83 E CA 1.392 57.845 56.400 0.089 0.000 0.799 83 E CB -0.074 29.661 29.700 0.058 0.000 0.748 83 E HN 0.147 nan 8.360 nan 0.000 0.449 84 A N 0.935 123.808 122.820 0.088 0.000 1.877 84 A HA -0.149 4.172 4.320 0.002 0.000 0.216 84 A C 2.271 179.958 177.584 0.173 0.000 1.186 84 A CA 1.473 53.556 52.037 0.077 0.000 0.620 84 A CB -0.757 18.195 19.000 -0.080 0.000 0.822 84 A HN 0.356 nan 8.150 nan 0.000 0.443 85 L N -0.667 120.703 121.223 0.245 0.000 2.056 85 L HA -0.186 4.155 4.340 0.002 0.000 0.207 85 L C 2.188 179.214 176.870 0.259 0.000 1.078 85 L CA 1.440 56.460 54.840 0.301 0.000 0.749 85 L CB -0.616 41.645 42.059 0.338 0.000 0.901 85 L HN 0.285 nan 8.230 nan 0.000 0.433 86 D N -0.028 120.488 120.400 0.194 0.000 2.084 86 D HA -0.192 4.449 4.640 0.002 0.000 0.194 86 D C 2.029 178.417 176.300 0.147 0.000 0.990 86 D CA 1.097 55.187 54.000 0.151 0.000 0.826 86 D CB -0.278 40.586 40.800 0.107 0.000 0.971 86 D HN 0.110 nan 8.370 nan 0.000 0.453 87 L N 0.333 121.639 121.223 0.138 0.000 2.013 87 L HA -0.164 4.177 4.340 0.002 0.000 0.212 87 L C 2.207 179.179 176.870 0.169 0.000 1.073 87 L CA 1.777 56.683 54.840 0.111 0.000 0.753 87 L CB -0.524 41.605 42.059 0.116 0.000 0.890 87 L HN 0.060 nan 8.230 nan 0.000 0.432 88 M N -1.256 118.538 119.600 0.324 0.000 2.099 88 M HA -0.146 4.335 4.480 0.002 0.000 0.262 88 M C 2.165 178.799 176.300 0.558 0.000 1.067 88 M CA 1.977 57.586 55.300 0.514 0.000 1.124 88 M CB -0.171 32.661 32.600 0.386 0.000 1.353 88 M HN 0.398 nan 8.290 nan 0.000 0.410 89 A N 0.131 123.228 122.820 0.462 0.000 1.873 89 A HA -0.163 4.158 4.320 0.002 0.000 0.215 89 A C 2.231 179.984 177.584 0.281 0.000 1.186 89 A CA 2.185 54.472 52.037 0.417 0.000 0.616 89 A CB -1.153 18.002 19.000 0.258 0.000 0.823 89 A HN 0.725 nan 8.150 nan 0.000 0.442 90 S N -0.180 115.627 115.700 0.179 0.000 2.356 90 S HA -0.223 4.248 4.470 0.002 0.000 0.223 90 S C 2.104 176.743 174.600 0.066 0.000 1.032 90 S CA 1.237 59.490 58.200 0.089 0.000 1.005 90 S CB -0.542 62.682 63.200 0.039 0.000 0.867 90 S HN 0.497 nan 8.310 nan 0.000 0.449 91 R N 0.493 121.007 120.500 0.023 0.000 2.096 91 R HA -0.030 4.311 4.340 0.002 0.000 0.240 91 R C 2.076 178.381 176.300 0.008 0.000 1.139 91 R CA 1.740 57.765 56.100 -0.126 0.000 0.952 91 R CB -1.273 28.666 30.300 -0.603 0.000 0.854 91 R HN 0.576 nan 8.270 nan 0.000 0.436 92 F N 0.453 120.446 119.950 0.072 0.000 2.102 92 F HA -0.202 4.326 4.527 0.001 0.000 0.298 92 F C 2.827 178.548 175.800 -0.132 0.000 1.105 92 F CA 1.547 59.573 58.000 0.042 0.000 1.239 92 F CB -0.287 38.841 39.000 0.214 0.000 0.991 92 F HN -0.011 nan 8.300 nan 0.000 0.474 93 R N 0.296 120.858 120.500 0.104 0.000 2.080 93 R HA -0.164 4.177 4.340 0.002 0.000 0.236 93 R C 2.377 178.653 176.300 -0.039 0.000 1.137 93 R CA 1.983 58.077 56.100 -0.011 0.000 0.943 93 R CB -1.091 29.229 30.300 0.033 0.000 0.846 93 R HN 0.067 nan 8.270 nan 0.000 0.431 94 S N -0.533 115.153 115.700 -0.024 0.000 2.372 94 S HA -0.237 4.234 4.470 0.002 0.000 0.227 94 S C 1.998 176.557 174.600 -0.068 0.000 1.044 94 S CA 1.833 60.001 58.200 -0.053 0.000 1.050 94 S CB -0.645 62.527 63.200 -0.047 0.000 0.901 94 S HN 0.568 nan 8.310 nan 0.000 0.447 95 S N 0.339 116.016 115.700 -0.038 0.000 2.383 95 S HA 0.012 4.483 4.470 0.002 0.000 0.227 95 S C 1.759 176.379 174.600 0.032 0.000 1.026 95 S CA 1.099 59.333 58.200 0.057 0.000 0.981 95 S CB -0.397 62.793 63.200 -0.016 0.000 0.818 95 S HN 0.522 nan 8.310 nan 0.000 0.472 96 I N 1.361 121.891 120.570 -0.067 0.000 2.252 96 I HA -0.144 4.027 4.170 0.002 0.000 0.245 96 I C 2.048 178.121 176.117 -0.075 0.000 1.102 96 I CA 1.268 62.523 61.300 -0.075 0.000 1.385 96 I CB -0.438 37.464 38.000 -0.164 0.000 1.064 96 I HN 0.228 nan 8.210 nan 0.000 0.414 97 D N 0.401 120.741 120.400 -0.099 0.000 2.149 97 D HA -0.155 4.486 4.640 0.002 0.000 0.198 97 D C 2.196 178.387 176.300 -0.182 0.000 0.990 97 D CA 1.318 55.251 54.000 -0.111 0.000 0.839 97 D CB -0.005 40.736 40.800 -0.097 0.000 0.948 97 D HN 0.232 nan 8.370 nan 0.000 0.460 98 M N -1.248 118.153 119.600 -0.331 0.000 2.429 98 M HA 0.007 4.488 4.480 0.002 0.000 0.265 98 M C 1.051 176.981 176.300 -0.617 0.000 1.120 98 M CA 0.931 55.858 55.300 -0.622 0.000 1.173 98 M CB -0.230 31.645 32.600 -1.208 0.000 1.343 98 M HN 0.082 nan 8.290 nan 0.000 0.464 99 Y N 0.053 120.334 120.300 -0.031 0.000 2.500 99 Y HA 0.531 5.082 4.550 0.002 0.000 0.246 99 Y C 1.284 177.176 175.900 -0.013 0.000 1.146 99 Y CA -0.044 58.042 58.100 -0.022 0.000 1.230 99 Y CB -0.197 38.245 38.460 -0.030 0.000 1.214 99 Y HN 0.351 nan 8.280 nan 0.000 0.526 100 G N 1.475 110.312 108.800 0.062 0.000 2.746 100 G HA2 -0.190 3.771 3.960 0.002 0.000 0.685 100 G HA3 -0.190 3.771 3.960 0.002 0.000 0.685 100 G C -2.096 172.843 174.900 0.063 0.000 1.350 100 G CA -0.490 44.643 45.100 0.056 0.000 0.837 100 G HN 0.011 nan 8.290 nan 0.000 0.564 101 P HA -0.015 nan 4.420 nan 0.000 0.225 101 P C 1.139 178.518 177.300 0.131 0.000 1.156 101 P CA 0.914 64.061 63.100 0.079 0.000 0.787 101 P CB 0.028 31.803 31.700 0.125 0.000 0.802 102 N N -0.027 118.749 118.700 0.126 0.000 2.515 102 N HA -0.031 4.710 4.740 0.002 0.000 0.191 102 N C 1.233 176.845 175.510 0.169 0.000 1.182 102 N CA 0.638 53.780 53.050 0.153 0.000 0.879 102 N CB -0.429 38.118 38.487 0.101 0.000 0.984 102 N HN 0.278 nan 8.380 nan 0.000 0.453 103 S N -1.210 114.559 115.700 0.115 0.000 2.575 103 S HA 0.093 4.564 4.470 0.002 0.000 0.215 103 S C 0.760 175.371 174.600 0.018 0.000 0.966 103 S CA -0.461 57.766 58.200 0.045 0.000 0.911 103 S CB -0.317 62.908 63.200 0.043 0.000 0.780 103 S HN 0.047 nan 8.310 nan 0.000 0.514 104 V N -1.888 118.099 119.914 0.121 0.000 2.769 104 V HA 1.001 5.122 4.120 0.002 0.000 0.312 104 V C -0.450 175.920 176.094 0.459 0.000 1.061 104 V CA -0.751 61.679 62.300 0.217 0.000 0.931 104 V CB 1.110 33.061 31.823 0.214 0.000 1.010 104 V HN 0.441 nan 8.190 nan 0.000 0.433 105 A N 4.026 127.145 122.820 0.499 0.000 2.566 105 A HA 0.816 5.137 4.320 0.002 0.000 0.292 105 A C -1.501 176.195 177.584 0.187 0.000 1.112 105 A CA -0.677 51.560 52.037 0.334 0.000 0.707 105 A CB 2.089 21.169 19.000 0.133 0.000 1.302 105 A HN 1.508 nan 8.150 nan 0.000 0.409 106 W N 1.730 122.797 121.300 -0.389 0.000 2.532 106 W HA 0.609 5.269 4.660 0.001 0.000 0.321 106 W C -2.488 174.012 176.519 -0.032 0.000 1.037 106 W CA -0.553 56.555 57.345 -0.395 0.000 1.220 106 W CB 1.565 30.537 29.460 -0.814 0.000 1.361 106 W HN 0.713 nan 8.180 nan 0.000 0.468 107 Y N 5.787 125.750 120.300 -0.561 0.000 2.376 107 Y HA 0.538 5.089 4.550 0.002 0.000 0.326 107 Y C 0.020 175.508 175.900 -0.687 0.000 0.970 107 Y CA -0.456 57.401 58.100 -0.406 0.000 1.248 107 Y CB 0.794 39.181 38.460 -0.121 0.000 1.117 107 Y HN 0.472 nan 8.280 nan 0.000 0.476 108 G N 1.931 110.170 108.800 -0.936 0.000 3.217 108 G HA2 0.630 4.591 3.960 0.002 0.000 0.213 108 G HA3 0.630 4.591 3.960 0.002 0.000 0.213 108 G C -1.162 173.496 174.900 -0.403 0.000 1.294 108 G CA -0.485 44.215 45.100 -0.665 0.000 0.987 108 G HN 0.810 nan 8.290 nan 0.000 0.584 109 S N -2.704 112.945 115.700 -0.085 0.000 2.596 109 S HA 0.546 5.017 4.470 0.002 0.000 0.270 109 S C 0.816 175.461 174.600 0.074 0.000 1.155 109 S CA 0.471 58.650 58.200 -0.036 0.000 0.827 109 S CB 1.236 64.409 63.200 -0.045 0.000 1.130 109 S HN 1.434 nan 8.310 nan 0.000 0.467 110 G N 0.118 108.963 108.800 0.074 0.000 2.848 110 G HA2 0.088 4.049 3.960 0.002 0.000 0.208 110 G HA3 0.088 4.049 3.960 0.002 0.000 0.208 110 G C 0.790 175.714 174.900 0.041 0.000 1.152 110 G CA 0.198 45.348 45.100 0.083 0.000 0.789 110 G HN 0.733 nan 8.290 nan 0.000 0.531 111 Q N -0.713 119.146 119.800 0.099 0.000 2.402 111 Q HA 0.131 4.472 4.340 0.002 0.000 0.206 111 Q C 0.927 177.072 176.000 0.243 0.000 0.919 111 Q CA -0.274 55.596 55.803 0.111 0.000 0.923 111 Q CB 0.426 29.301 28.738 0.229 0.000 1.048 111 Q HN 0.374 nan 8.270 nan 0.000 0.515 112 C N 1.567 121.002 119.300 0.226 0.000 2.702 112 C HA 0.042 4.503 4.460 0.002 0.000 0.411 112 C C 0.878 176.075 174.990 0.345 0.000 1.286 112 C CA -0.737 58.446 59.018 0.275 0.000 1.979 112 C CB -0.497 27.403 27.740 0.268 0.000 2.728 112 C HN 0.400 nan 8.230 nan 0.000 0.652 113 L N 2.798 124.197 121.223 0.294 0.000 2.461 113 L HA 0.076 4.417 4.340 0.002 0.000 0.272 113 L C 1.742 178.730 176.870 0.197 0.000 1.197 113 L CA 0.117 55.101 54.840 0.240 0.000 0.836 113 L CB 0.121 42.223 42.059 0.071 0.000 1.105 113 L HN 0.831 nan 8.230 nan 0.000 0.477 114 T N 0.351 115.020 114.554 0.192 0.000 2.737 114 T HA -0.192 4.159 4.350 0.002 0.000 0.269 114 T C 1.529 176.302 174.700 0.122 0.000 1.040 114 T CA 1.800 63.999 62.100 0.164 0.000 1.142 114 T CB -0.124 68.885 68.868 0.233 0.000 0.861 114 T HN 0.578 nan 8.240 nan 0.000 0.456 115 E N 0.886 121.159 120.200 0.122 0.000 2.150 115 E HA -0.064 4.287 4.350 0.002 0.000 0.193 115 E C 2.249 178.861 176.600 0.019 0.000 0.985 115 E CA 0.821 57.250 56.400 0.048 0.000 0.814 115 E CB -0.107 29.604 29.700 0.018 0.000 0.752 115 E HN 0.599 nan 8.360 nan 0.000 0.466 116 E N 0.210 120.445 120.200 0.059 0.000 2.047 116 E HA -0.081 4.270 4.350 0.002 0.000 0.191 116 E C 1.988 178.601 176.600 0.021 0.000 0.987 116 E CA 1.176 57.620 56.400 0.072 0.000 0.799 116 E CB -0.034 29.761 29.700 0.159 0.000 0.752 116 E HN 0.048 nan 8.360 nan 0.000 0.449 117 S N 0.193 115.932 115.700 0.064 0.000 2.447 117 S HA -0.144 4.327 4.470 0.002 0.000 0.233 117 S C 1.601 176.112 174.600 -0.149 0.000 1.006 117 S CA 0.715 58.912 58.200 -0.005 0.000 0.957 117 S CB -0.208 63.045 63.200 0.088 0.000 0.773 117 S HN 0.342 nan 8.310 nan 0.000 0.507 118 Y N 2.113 122.266 120.300 -0.245 0.000 2.206 118 Y HA -0.070 4.481 4.550 0.002 0.000 0.292 118 Y C 2.155 177.886 175.900 -0.282 0.000 1.123 118 Y CA 0.998 58.907 58.100 -0.318 0.000 1.142 118 Y CB -0.578 37.651 38.460 -0.385 0.000 1.006 118 Y HN 0.006 nan 8.280 nan 0.000 0.518 119 V N 0.868 120.753 119.914 -0.049 0.000 2.287 119 V HA -0.351 3.770 4.120 0.002 0.000 0.248 119 V C 2.715 178.639 176.094 -0.285 0.000 1.053 119 V CA 2.001 64.237 62.300 -0.108 0.000 1.027 119 V CB -1.669 30.139 31.823 -0.025 0.000 0.646 119 V HN 0.577 nan 8.190 nan 0.000 0.447 120 A N -0.117 122.436 122.820 -0.445 0.000 1.883 120 A HA -0.314 4.007 4.320 0.002 0.000 0.217 120 A C 2.205 179.486 177.584 -0.505 0.000 1.186 120 A CA 2.293 53.883 52.037 -0.744 0.000 0.624 120 A CB -0.966 16.821 19.000 -2.022 0.000 0.822 120 A HN 0.643 nan 8.150 nan 0.000 0.444 121 N N -0.549 117.853 118.700 -0.496 0.000 2.069 121 N HA -0.228 4.513 4.740 0.002 0.000 0.191 121 N C 1.951 177.315 175.510 -0.244 0.000 1.031 121 N CA 1.834 54.716 53.050 -0.280 0.000 0.852 121 N CB -0.179 38.163 38.487 -0.243 0.000 1.018 121 N HN 0.593 nan 8.380 nan 0.000 0.423 122 K N 0.724 120.803 120.400 -0.535 0.000 2.097 122 K HA -0.060 4.261 4.320 0.002 0.000 0.205 122 K C 2.154 178.402 176.600 -0.586 0.000 1.050 122 K CA 0.791 56.508 56.287 -0.950 0.000 0.938 122 K CB -0.017 31.718 32.500 -1.275 0.000 0.718 122 K HN 0.185 nan 8.250 nan 0.000 0.442 123 I N 0.184 120.514 120.570 -0.400 0.000 2.226 123 I HA -0.268 3.903 4.170 0.002 0.000 0.245 123 I C 1.814 177.605 176.117 -0.543 0.000 1.100 123 I CA 1.350 62.355 61.300 -0.492 0.000 1.374 123 I CB -0.170 37.569 38.000 -0.434 0.000 1.057 123 I HN 0.122 nan 8.210 nan 0.000 0.413 124 F N 0.774 120.577 119.950 -0.245 0.000 2.118 124 F HA -0.083 4.445 4.527 0.002 0.000 0.293 124 F C 2.512 178.358 175.800 0.077 0.000 1.102 124 F CA 1.252 59.282 58.000 0.050 0.000 1.247 124 F CB -0.263 38.842 39.000 0.176 0.000 1.017 124 F HN -0.211 nan 8.300 nan 0.000 0.475 125 K N -0.552 119.977 120.400 0.215 0.000 2.103 125 K HA 0.017 4.338 4.320 0.002 0.000 0.204 125 K C 2.019 178.731 176.600 0.187 0.000 1.052 125 K CA 1.218 57.636 56.287 0.219 0.000 0.945 125 K CB -0.406 32.252 32.500 0.263 0.000 0.722 125 K HN 0.334 nan 8.250 nan 0.000 0.443 126 G N -0.652 108.198 108.800 0.083 0.000 2.944 126 G HA2 0.064 4.025 3.960 0.002 0.000 0.220 126 G HA3 0.064 4.025 3.960 0.002 0.000 0.220 126 G C 1.079 175.934 174.900 -0.075 0.000 1.100 126 G CA 0.285 45.437 45.100 0.086 0.000 0.780 126 G HN 0.337 nan 8.290 nan 0.000 0.539 127 G N 0.565 109.239 108.800 -0.211 0.000 2.641 127 G HA2 0.129 4.090 3.960 0.002 0.000 0.211 127 G HA3 0.129 4.090 3.960 0.002 0.000 0.211 127 G C 1.313 176.095 174.900 -0.197 0.000 1.190 127 G CA 0.061 44.965 45.100 -0.326 0.000 0.842 127 G HN 0.295 nan 8.290 nan 0.000 0.585 128 F N 1.014 120.888 119.950 -0.127 0.000 2.456 128 F HA 0.233 4.761 4.527 0.001 0.000 0.298 128 F C 2.086 177.888 175.800 0.004 0.000 1.104 128 F CA 0.406 58.357 58.000 -0.082 0.000 1.435 128 F CB 0.445 39.371 39.000 -0.124 0.000 1.078 128 F HN 0.325 nan 8.300 nan 0.000 0.546 129 G N 1.490 110.413 108.800 0.205 0.000 2.212 129 G HA2 -0.237 3.724 3.960 0.002 0.000 0.255 129 G HA3 -0.237 3.724 3.960 0.002 0.000 0.255 129 G C -0.075 174.938 174.900 0.188 0.000 1.062 129 G CA 0.363 45.562 45.100 0.166 0.000 0.815 129 G HN 0.357 nan 8.290 nan 0.000 0.497 130 T N -0.789 113.917 114.554 0.255 0.000 2.886 130 T HA 0.560 4.911 4.350 0.002 0.000 0.292 130 T C 0.780 175.640 174.700 0.267 0.000 1.012 130 T CA -0.445 61.808 62.100 0.254 0.000 0.982 130 T CB 0.743 69.802 68.868 0.319 0.000 1.018 130 T HN 0.046 nan 8.240 nan 0.000 0.451 131 N N 3.767 122.577 118.700 0.184 0.000 2.362 131 N HA 0.063 4.804 4.740 0.002 0.000 0.204 131 N C 0.047 175.663 175.510 0.176 0.000 1.166 131 N CA 0.000 53.152 53.050 0.169 0.000 0.831 131 N CB -0.100 38.457 38.487 0.116 0.000 1.008 131 N HN 0.635 nan 8.380 nan 0.000 0.472 132 N N 0.715 119.548 118.700 0.222 0.000 3.027 132 N HA 0.051 4.792 4.740 0.002 0.000 0.309 132 N C -0.957 174.682 175.510 0.216 0.000 1.222 132 N CA 0.019 53.216 53.050 0.245 0.000 1.187 132 N CB 0.281 38.960 38.487 0.320 0.000 1.458 132 N HN -0.131 nan 8.380 nan 0.000 0.535 133 V N 0.721 120.754 119.914 0.198 0.000 2.407 133 V HA 0.350 4.471 4.120 0.002 0.000 0.291 133 V C -0.228 176.025 176.094 0.264 0.000 1.018 133 V CA -0.645 61.777 62.300 0.203 0.000 0.842 133 V CB 1.910 33.806 31.823 0.121 0.000 0.996 133 V HN 0.308 nan 8.190 nan 0.000 0.426 134 D N 1.897 122.492 120.400 0.325 0.000 2.958 134 D HA 0.908 5.549 4.640 0.002 0.000 0.306 134 D C -0.126 176.353 176.300 0.299 0.000 1.226 134 D CA 0.353 54.554 54.000 0.334 0.000 1.032 134 D CB 2.339 43.356 40.800 0.362 0.000 1.400 134 D HN 0.891 nan 8.370 nan 0.000 0.587 135 G N -0.722 108.245 108.800 0.279 0.000 2.387 135 G HA2 0.220 4.181 3.960 0.002 0.000 0.294 135 G HA3 0.220 4.181 3.960 0.002 0.000 0.294 135 G C -0.189 174.752 174.900 0.069 0.000 1.509 135 G CA -0.211 44.856 45.100 -0.055 0.000 0.806 135 G HN 0.463 nan 8.290 nan 0.000 0.546 136 N N -0.217 118.400 118.700 -0.138 0.000 2.443 136 N HA -0.015 4.726 4.740 0.002 0.000 0.184 136 N C -0.687 174.872 175.510 0.081 0.000 1.037 136 N CA 1.273 54.345 53.050 0.037 0.000 0.896 136 N CB -0.957 37.496 38.487 -0.057 0.000 0.959 136 N HN 0.273 nan 8.380 nan 0.000 0.442 137 P HA -0.104 nan 4.420 nan 0.000 0.222 137 P C 1.340 178.724 177.300 0.140 0.000 1.147 137 P CA 1.031 64.202 63.100 0.119 0.000 0.790 137 P CB -0.120 31.662 31.700 0.135 0.000 0.780 138 R N 0.316 120.915 120.500 0.164 0.000 2.200 138 R HA -0.076 4.265 4.340 0.002 0.000 0.234 138 R C 1.551 177.929 176.300 0.130 0.000 1.127 138 R CA 1.077 57.273 56.100 0.161 0.000 0.989 138 R CB -0.850 29.572 30.300 0.203 0.000 0.869 138 R HN 0.194 nan 8.270 nan 0.000 0.459 139 L N -1.207 120.105 121.223 0.148 0.000 2.592 139 L HA 0.108 4.449 4.340 0.002 0.000 0.227 139 L C 1.556 178.526 176.870 0.168 0.000 1.127 139 L CA -0.315 54.639 54.840 0.190 0.000 0.884 139 L CB 0.373 42.560 42.059 0.213 0.000 1.065 139 L HN 0.320 nan 8.230 nan 0.000 0.457 140 C N -1.174 118.197 119.300 0.120 0.000 3.154 140 C HA 0.168 4.629 4.460 0.002 0.000 0.284 140 C C 1.928 176.994 174.990 0.128 0.000 2.328 140 C CA -0.081 59.000 59.018 0.105 0.000 1.586 140 C CB 0.346 28.139 27.740 0.090 0.000 1.551 140 C HN 0.302 nan 8.230 nan 0.000 0.693 141 M N 1.698 121.382 119.600 0.141 0.000 2.510 141 M HA 0.260 4.741 4.480 0.002 0.000 0.256 141 M C 2.050 178.453 176.300 0.171 0.000 1.132 141 M CA 1.145 56.542 55.300 0.162 0.000 1.105 141 M CB -1.540 31.163 32.600 0.171 0.000 1.375 141 M HN 0.542 nan 8.290 nan 0.000 0.477 142 A N 0.248 123.158 122.820 0.151 0.000 1.986 142 A HA -0.150 4.171 4.320 0.002 0.000 0.220 142 A C 2.499 180.157 177.584 0.122 0.000 1.171 142 A CA 2.196 54.320 52.037 0.145 0.000 0.640 142 A CB -0.713 18.352 19.000 0.109 0.000 0.811 142 A HN 0.453 nan 8.150 nan 0.000 0.451 143 S N -0.537 115.224 115.700 0.103 0.000 2.383 143 S HA 0.026 4.497 4.470 0.002 0.000 0.227 143 S C 2.288 176.973 174.600 0.143 0.000 1.026 143 S CA 1.015 59.266 58.200 0.085 0.000 0.981 143 S CB -0.385 62.850 63.200 0.058 0.000 0.818 143 S HN 0.816 nan 8.310 nan 0.000 0.472 144 A N 1.124 124.068 122.820 0.206 0.000 1.972 144 A HA -0.036 4.285 4.320 0.002 0.000 0.219 144 A C 2.266 180.029 177.584 0.299 0.000 1.169 144 A CA 1.365 53.553 52.037 0.251 0.000 0.635 144 A CB -0.763 18.392 19.000 0.259 0.000 0.810 144 A HN 0.351 nan 8.150 nan 0.000 0.446 145 V N -0.078 120.016 119.914 0.301 0.000 2.244 145 V HA -0.165 3.956 4.120 0.002 0.000 0.244 145 V C 2.866 179.134 176.094 0.290 0.000 1.042 145 V CA 1.977 64.478 62.300 0.335 0.000 1.006 145 V CB -1.673 30.320 31.823 0.283 0.000 0.641 145 V HN 0.560 nan 8.190 nan 0.000 0.446 146 G N 0.044 108.962 108.800 0.196 0.000 2.442 146 G HA2 -0.175 3.786 3.960 0.002 0.000 0.219 146 G HA3 -0.175 3.786 3.960 0.002 0.000 0.219 146 G C 1.596 176.569 174.900 0.123 0.000 1.141 146 G CA 1.086 46.264 45.100 0.130 0.000 0.763 146 G HN 0.611 nan 8.290 nan 0.000 0.554 147 G N -0.200 108.688 108.800 0.148 0.000 2.421 147 G HA2 -0.187 3.774 3.960 0.002 0.000 0.216 147 G HA3 -0.187 3.774 3.960 0.002 0.000 0.216 147 G C 1.615 176.717 174.900 0.337 0.000 1.171 147 G CA 0.808 46.016 45.100 0.180 0.000 0.775 147 G HN 0.502 nan 8.290 nan 0.000 0.543 148 Y N -0.180 120.361 120.300 0.400 0.000 2.242 148 Y HA -0.054 4.497 4.550 0.002 0.000 0.291 148 Y C 3.026 179.124 175.900 0.329 0.000 1.137 148 Y CA 0.363 58.688 58.100 0.375 0.000 1.181 148 Y CB 0.124 38.758 38.460 0.290 0.000 0.989 148 Y HN 0.062 nan 8.280 nan 0.000 0.527 149 V N -0.376 119.791 119.914 0.423 0.000 2.379 149 V HA -0.258 3.863 4.120 0.002 0.000 0.245 149 V C 2.392 178.638 176.094 0.253 0.000 1.044 149 V CA 2.339 64.831 62.300 0.321 0.000 1.036 149 V CB -0.857 31.131 31.823 0.276 0.000 0.664 149 V HN 0.603 nan 8.190 nan 0.000 0.453 150 T N -3.158 111.509 114.554 0.188 0.000 2.904 150 T HA -0.101 4.250 4.350 0.002 0.000 0.267 150 T C 1.934 176.864 174.700 0.384 0.000 1.059 150 T CA 1.515 63.716 62.100 0.168 0.000 1.137 150 T CB -0.217 68.511 68.868 -0.232 0.000 0.879 150 T HN 0.375 nan 8.240 nan 0.000 0.467 151 S N 0.713 116.552 115.700 0.231 0.000 2.395 151 S HA 0.245 4.716 4.470 0.002 0.000 0.225 151 S C 1.099 175.359 174.600 -0.568 0.000 1.027 151 S CA 0.654 58.806 58.200 -0.079 0.000 0.965 151 S CB -0.278 62.779 63.200 -0.239 0.000 0.812 151 S HN 0.597 nan 8.310 nan 0.000 0.482 152 F N -0.240 119.733 119.950 0.038 0.000 2.784 152 F HA 0.372 4.900 4.527 0.002 0.000 0.323 152 F C 1.822 177.596 175.800 -0.044 0.000 1.085 152 F CA 0.202 58.143 58.000 -0.098 0.000 1.196 152 F CB 0.357 39.305 39.000 -0.086 0.000 1.053 152 F HN 0.286 nan 8.300 nan 0.000 0.578 153 G N 0.349 109.274 108.800 0.208 0.000 2.245 153 G HA2 -0.249 3.712 3.960 0.002 0.000 0.264 153 G HA3 -0.249 3.712 3.960 0.002 0.000 0.264 153 G C 0.334 175.382 174.900 0.248 0.000 0.985 153 G CA 0.265 45.483 45.100 0.197 0.000 0.625 153 G HN 0.165 nan 8.290 nan 0.000 0.536 154 K N 0.389 120.962 120.400 0.288 0.000 2.395 154 K HA 0.544 4.865 4.320 0.002 0.000 0.247 154 K C -0.828 175.966 176.600 0.323 0.000 0.973 154 K CA -0.914 55.571 56.287 0.331 0.000 0.828 154 K CB 1.914 34.614 32.500 0.333 0.000 1.272 154 K HN 0.129 nan 8.250 nan 0.000 0.439 155 D N 1.669 122.271 120.400 0.337 0.000 2.354 155 D HA 0.184 4.825 4.640 0.002 0.000 0.247 155 D C -0.665 175.626 176.300 -0.014 0.000 1.138 155 D CA 0.855 55.019 54.000 0.274 0.000 0.958 155 D CB 0.612 41.653 40.800 0.402 0.000 1.144 155 D HN 0.360 nan 8.370 nan 0.000 0.458 156 E N -0.801 119.233 120.200 -0.276 0.000 8.070 156 E HA -0.096 4.255 4.350 0.002 0.000 0.467 156 E C -2.500 173.373 176.600 -1.211 0.000 0.799 156 E CA -0.346 55.728 56.400 -0.544 0.000 1.432 156 E CB -1.578 28.004 29.700 -0.197 0.000 0.984 156 E HN 0.341 nan 8.360 nan 0.000 0.262 157 P HA -0.011 nan 4.420 nan 0.000 0.267 157 P C 1.194 178.079 177.300 -0.692 0.000 1.201 157 P CA 0.179 62.776 63.100 -0.839 0.000 0.775 157 P CB 0.285 31.428 31.700 -0.927 0.000 0.854 158 M N 0.519 119.803 119.600 -0.527 0.000 2.441 158 M HA 0.285 4.766 4.480 0.002 0.000 0.244 158 M C 0.564 176.660 176.300 -0.340 0.000 1.122 158 M CA 0.666 55.642 55.300 -0.540 0.000 1.041 158 M CB -0.917 31.393 32.600 -0.483 0.000 1.438 158 M HN 0.204 nan 8.290 nan 0.000 0.484 159 G N 0.948 109.649 108.800 -0.166 0.000 2.971 159 G HA2 0.709 4.670 3.960 0.002 0.000 0.235 159 G HA3 0.709 4.670 3.960 0.002 0.000 0.235 159 G C -0.917 174.004 174.900 0.034 0.000 1.351 159 G CA 0.142 45.208 45.100 -0.057 0.000 1.039 159 G HN 0.458 nan 8.290 nan 0.000 0.563 160 T N -4.276 110.268 114.554 -0.018 0.000 2.778 160 T HA 0.357 4.708 4.350 0.002 0.000 0.293 160 T C 0.594 175.104 174.700 -0.317 0.000 1.144 160 T CA -0.643 61.374 62.100 -0.139 0.000 1.010 160 T CB 0.840 69.584 68.868 -0.207 0.000 1.325 160 T HN 0.420 nan 8.240 nan 0.000 0.515 161 Y N 0.238 120.346 120.300 -0.320 0.000 2.315 161 Y HA -0.013 4.538 4.550 0.002 0.000 0.288 161 Y C 3.065 178.843 175.900 -0.204 0.000 1.154 161 Y CA 0.459 58.347 58.100 -0.352 0.000 1.229 161 Y CB -0.453 37.850 38.460 -0.263 0.000 0.980 161 Y HN 0.803 nan 8.280 nan 0.000 0.540 162 A N 0.372 123.190 122.820 -0.003 0.000 1.978 162 A HA -0.232 4.089 4.320 0.002 0.000 0.220 162 A C 1.768 179.340 177.584 -0.019 0.000 1.170 162 A CA 1.958 53.993 52.037 -0.004 0.000 0.636 162 A CB -0.573 18.414 19.000 -0.021 0.000 0.810 162 A HN 0.382 nan 8.150 nan 0.000 0.448 163 D N -0.079 120.287 120.400 -0.056 0.000 2.265 163 D HA -0.128 4.513 4.640 0.002 0.000 0.208 163 D C 1.729 178.023 176.300 -0.011 0.000 0.977 163 D CA 0.976 54.944 54.000 -0.053 0.000 0.871 163 D CB -0.255 40.498 40.800 -0.078 0.000 0.925 163 D HN 0.582 nan 8.370 nan 0.000 0.485 164 I N 1.260 121.854 120.570 0.040 0.000 2.286 164 I HA -0.247 3.924 4.170 0.002 0.000 0.248 164 I C 1.484 177.727 176.117 0.210 0.000 1.115 164 I CA 1.049 62.475 61.300 0.210 0.000 1.392 164 I CB -0.096 37.962 38.000 0.098 0.000 1.065 164 I HN -0.160 nan 8.210 nan 0.000 0.418 165 D N 0.314 120.765 120.400 0.085 0.000 2.378 165 D HA -0.134 4.507 4.640 0.002 0.000 0.222 165 D C 1.649 177.976 176.300 0.045 0.000 0.980 165 D CA 0.927 54.964 54.000 0.061 0.000 0.907 165 D CB -0.025 40.791 40.800 0.026 0.000 0.899 165 D HN 0.520 nan 8.370 nan 0.000 0.527 166 Q N -0.658 119.154 119.800 0.020 0.000 2.140 166 Q HA 0.343 4.684 4.340 0.002 0.000 0.227 166 Q C 0.302 176.249 176.000 -0.088 0.000 0.798 166 Q CA -0.226 55.563 55.803 -0.023 0.000 0.987 166 Q CB 1.278 30.001 28.738 -0.025 0.000 1.161 166 Q HN 0.058 nan 8.270 nan 0.000 0.480 167 A N 0.625 123.336 122.820 -0.181 0.000 2.466 167 A HA 0.226 4.547 4.320 0.002 0.000 0.238 167 A C 0.688 178.085 177.584 -0.311 0.000 1.074 167 A CA 0.401 52.190 52.037 -0.413 0.000 0.774 167 A CB 0.335 18.728 19.000 -1.012 0.000 1.015 167 A HN 0.178 nan 8.150 nan 0.000 0.498 168 T N -0.467 113.924 114.554 -0.272 0.000 3.043 168 T HA 0.229 4.580 4.350 0.002 0.000 0.272 168 T C -0.204 174.421 174.700 -0.126 0.000 0.990 168 T CA 0.312 62.336 62.100 -0.128 0.000 0.897 168 T CB -0.286 68.543 68.868 -0.065 0.000 1.111 168 T HN 0.750 nan 8.240 nan 0.000 0.529 169 C N 1.869 121.002 119.300 -0.278 0.000 2.551 169 C HA 0.724 5.185 4.460 0.002 0.000 0.332 169 C C -1.751 173.040 174.990 -0.332 0.000 1.139 169 C CA -1.353 57.566 59.018 -0.165 0.000 1.328 169 C CB -0.575 27.098 27.740 -0.113 0.000 1.903 169 C HN 0.415 nan 8.230 nan 0.000 0.459 170 F N 5.250 125.260 119.950 0.100 0.000 2.427 170 F HA 0.519 5.047 4.527 0.002 0.000 0.346 170 F C -0.160 175.802 175.800 0.271 0.000 1.120 170 F CA -0.583 57.509 58.000 0.153 0.000 1.033 170 F CB 1.191 40.258 39.000 0.111 0.000 1.126 170 F HN 0.582 nan 8.300 nan 0.000 0.462 171 F N 5.986 126.126 119.950 0.316 0.000 2.325 171 F HA 0.558 5.086 4.527 0.002 0.000 0.369 171 F C -0.819 175.212 175.800 0.385 0.000 1.095 171 F CA -1.338 56.870 58.000 0.346 0.000 1.082 171 F CB 0.240 39.492 39.000 0.420 0.000 1.289 171 F HN 0.259 nan 8.300 nan 0.000 0.462 172 I N 8.381 128.963 120.570 0.019 0.000 2.337 172 I HA 0.350 4.521 4.170 0.002 0.000 0.285 172 I C -0.567 175.468 176.117 -0.137 0.000 1.041 172 I CA -0.457 60.859 61.300 0.027 0.000 1.199 172 I CB 1.082 39.156 38.000 0.122 0.000 1.370 172 I HN 0.527 nan 8.210 nan 0.000 0.470 173 I N 4.946 125.445 120.570 -0.119 0.000 2.433 173 I HA 0.534 4.705 4.170 0.002 0.000 0.292 173 I C 1.030 177.209 176.117 0.104 0.000 1.001 173 I CA -0.055 61.166 61.300 -0.133 0.000 1.119 173 I CB 1.615 39.392 38.000 -0.372 0.000 1.289 173 I HN 0.763 nan 8.210 nan 0.000 0.438 174 G N 4.696 113.566 108.800 0.116 0.000 2.366 174 G HA2 -0.251 3.710 3.960 0.002 0.000 0.299 174 G HA3 -0.251 3.710 3.960 0.002 0.000 0.299 174 G C -0.096 174.897 174.900 0.155 0.000 1.020 174 G CA 0.802 45.991 45.100 0.148 0.000 1.026 174 G HN 0.854 nan 8.290 nan 0.000 0.512 175 S N -0.722 115.048 115.700 0.116 0.000 2.720 175 S HA 0.448 4.919 4.470 0.002 0.000 0.278 175 S C -0.264 174.370 174.600 0.056 0.000 1.172 175 S CA -0.360 57.912 58.200 0.119 0.000 1.019 175 S CB 0.767 64.055 63.200 0.147 0.000 1.049 175 S HN 0.515 nan 8.310 nan 0.000 0.483 176 N N 3.994 122.714 118.700 0.034 0.000 3.322 176 N HA 0.139 4.880 4.740 0.002 0.000 0.290 176 N C 0.988 176.453 175.510 -0.074 0.000 1.297 176 N CA -0.239 52.782 53.050 -0.048 0.000 1.167 176 N CB 0.227 38.684 38.487 -0.050 0.000 1.434 176 N HN 0.656 nan 8.380 nan 0.000 0.526 177 T N -0.941 113.582 114.554 -0.052 0.000 2.759 177 T HA -0.214 4.137 4.350 0.002 0.000 0.269 177 T C 1.962 176.563 174.700 -0.164 0.000 1.042 177 T CA 1.253 63.370 62.100 0.029 0.000 1.140 177 T CB -0.239 68.710 68.868 0.135 0.000 0.864 177 T HN 0.405 nan 8.240 nan 0.000 0.455 178 S N 1.017 116.318 115.700 -0.664 0.000 2.374 178 S HA -0.202 4.269 4.470 0.002 0.000 0.227 178 S C 1.974 176.375 174.600 -0.332 0.000 1.037 178 S CA 1.553 59.233 58.200 -0.866 0.000 1.024 178 S CB -0.264 62.281 63.200 -1.092 0.000 0.861 178 S HN 0.644 nan 8.310 nan 0.000 0.456 179 E N -0.687 119.367 120.200 -0.243 0.000 2.431 179 E HA 0.267 4.618 4.350 0.002 0.000 0.200 179 E C 1.936 178.450 176.600 -0.144 0.000 0.995 179 E CA 0.515 56.819 56.400 -0.161 0.000 0.915 179 E CB 0.134 29.755 29.700 -0.132 0.000 0.930 179 E HN 0.570 nan 8.360 nan 0.000 0.496 180 A N 0.456 123.186 122.820 -0.150 0.000 1.997 180 A HA 0.047 4.368 4.320 0.002 0.000 0.212 180 A C 0.534 177.857 177.584 -0.434 0.000 1.178 180 A CA 0.611 52.488 52.037 -0.268 0.000 0.698 180 A CB -0.016 18.832 19.000 -0.254 0.000 0.842 180 A HN 0.145 nan 8.150 nan 0.000 0.458 181 H N -1.730 117.340 119.070 0.001 0.000 2.597 181 H HA 0.239 4.796 4.556 0.002 0.000 0.225 181 H C -2.333 173.008 175.328 0.021 0.000 1.422 181 H CA -1.164 54.897 56.048 0.021 0.000 1.335 181 H CB 0.860 30.637 29.762 0.025 0.000 1.783 181 H HN 0.218 nan 8.280 nan 0.000 0.513 182 P HA -0.176 nan 4.420 nan 0.000 0.215 182 P C 1.567 178.933 177.300 0.110 0.000 1.153 182 P CA 0.815 63.967 63.100 0.086 0.000 0.853 182 P CB 0.490 32.202 31.700 0.021 0.000 0.788 183 V N -0.396 119.554 119.914 0.060 0.000 2.358 183 V HA -0.192 3.929 4.120 0.002 0.000 0.246 183 V C 2.466 178.550 176.094 -0.017 0.000 1.047 183 V CA 1.445 63.755 62.300 0.016 0.000 1.035 183 V CB -1.156 30.665 31.823 -0.003 0.000 0.658 183 V HN 0.094 nan 8.190 nan 0.000 0.452 184 L N -1.142 120.064 121.223 -0.028 0.000 2.083 184 L HA -0.182 4.159 4.340 0.002 0.000 0.209 184 L C 2.404 179.236 176.870 -0.063 0.000 1.083 184 L CA 1.949 56.714 54.840 -0.126 0.000 0.752 184 L CB -0.631 41.300 42.059 -0.213 0.000 0.899 184 L HN 0.410 nan 8.230 nan 0.000 0.433 185 F N 0.926 120.808 119.950 -0.113 0.000 2.171 185 F HA -0.201 4.327 4.527 0.002 0.000 0.300 185 F C 2.774 178.493 175.800 -0.135 0.000 1.090 185 F CA 1.418 59.343 58.000 -0.125 0.000 1.293 185 F CB -0.334 38.621 39.000 -0.075 0.000 1.013 185 F HN -0.089 nan 8.300 nan 0.000 0.486 186 R N 0.345 120.771 120.500 -0.124 0.000 2.081 186 R HA -0.169 4.172 4.340 0.002 0.000 0.235 186 R C 2.548 178.696 176.300 -0.253 0.000 1.131 186 R CA 1.471 57.441 56.100 -0.216 0.000 0.960 186 R CB -0.413 29.839 30.300 -0.080 0.000 0.856 186 R HN 0.243 nan 8.270 nan 0.000 0.436 187 R N 0.312 120.695 120.500 -0.196 0.000 2.105 187 R HA -0.107 4.234 4.340 0.002 0.000 0.239 187 R C 2.284 178.436 176.300 -0.246 0.000 1.135 187 R CA 1.612 57.608 56.100 -0.175 0.000 0.967 187 R CB -0.211 30.009 30.300 -0.134 0.000 0.861 187 R HN 0.298 nan 8.270 nan 0.000 0.442 188 I N 0.022 120.358 120.570 -0.390 0.000 2.163 188 I HA -0.247 3.924 4.170 0.002 0.000 0.240 188 I C 2.584 178.381 176.117 -0.532 0.000 1.081 188 I CA 1.257 62.185 61.300 -0.621 0.000 1.353 188 I CB -0.493 37.019 38.000 -0.812 0.000 1.054 188 I HN 0.201 nan 8.210 nan 0.000 0.407 189 A N 1.062 123.515 122.820 -0.612 0.000 1.892 189 A HA -0.307 4.014 4.320 0.002 0.000 0.218 189 A C 2.355 179.773 177.584 -0.277 0.000 1.188 189 A CA 2.381 54.121 52.037 -0.495 0.000 0.631 189 A CB -0.746 17.879 19.000 -0.624 0.000 0.822 189 A HN 0.379 nan 8.150 nan 0.000 0.447 190 R N -0.331 120.028 120.500 -0.236 0.000 2.096 190 R HA -0.214 4.127 4.340 0.002 0.000 0.240 190 R C 2.266 178.512 176.300 -0.091 0.000 1.139 190 R CA 2.141 58.158 56.100 -0.137 0.000 0.952 190 R CB -0.376 29.854 30.300 -0.116 0.000 0.854 190 R HN 0.418 nan 8.270 nan 0.000 0.436 191 R N 1.024 121.472 120.500 -0.088 0.000 2.083 191 R HA -0.126 4.215 4.340 0.002 0.000 0.237 191 R C 1.999 178.315 176.300 0.025 0.000 1.137 191 R CA 2.317 58.420 56.100 0.004 0.000 0.951 191 R CB -0.492 29.870 30.300 0.104 0.000 0.851 191 R HN 0.330 nan 8.270 nan 0.000 0.434 192 K N -0.306 120.087 120.400 -0.012 0.000 2.209 192 K HA -0.140 4.181 4.320 0.002 0.000 0.204 192 K C 2.111 178.705 176.600 -0.010 0.000 1.048 192 K CA 1.367 57.659 56.287 0.008 0.000 0.940 192 K CB -0.007 32.482 32.500 -0.017 0.000 0.729 192 K HN 0.302 nan 8.250 nan 0.000 0.451 193 Q N 0.027 119.804 119.800 -0.038 0.000 2.020 193 Q HA -0.110 4.231 4.340 0.002 0.000 0.198 193 Q C 2.043 178.034 176.000 -0.016 0.000 0.974 193 Q CA 1.444 57.227 55.803 -0.033 0.000 0.829 193 Q CB 0.120 28.826 28.738 -0.053 0.000 0.894 193 Q HN 0.177 nan 8.270 nan 0.000 0.433 194 V N 0.847 120.752 119.914 -0.015 0.000 2.343 194 V HA -0.170 3.951 4.120 0.002 0.000 0.247 194 V C 0.959 177.056 176.094 0.005 0.000 1.051 194 V CA 1.473 63.770 62.300 -0.005 0.000 1.036 194 V CB -0.166 31.654 31.823 -0.005 0.000 0.654 194 V HN 0.231 nan 8.190 nan 0.000 0.451 195 E N -0.512 119.697 120.200 0.016 0.000 2.346 195 E HA 0.280 4.631 4.350 0.002 0.000 0.239 195 E C -2.057 174.561 176.600 0.030 0.000 0.943 195 E CA -2.896 53.518 56.400 0.023 0.000 0.751 195 E CB 1.529 31.246 29.700 0.029 0.000 1.241 195 E HN 0.158 nan 8.360 nan 0.000 0.423 196 P HA -0.063 nan 4.420 nan 0.000 0.219 196 P C 1.050 178.372 177.300 0.036 0.000 1.146 196 P CA 1.216 64.331 63.100 0.026 0.000 0.808 196 P CB 0.351 32.062 31.700 0.019 0.000 0.779 197 G N -0.664 108.157 108.800 0.035 0.000 2.708 197 G HA2 -0.073 3.888 3.960 0.002 0.000 0.210 197 G HA3 -0.073 3.888 3.960 0.002 0.000 0.210 197 G C 0.397 175.327 174.900 0.050 0.000 1.141 197 G CA -0.015 45.109 45.100 0.039 0.000 0.788 197 G HN 0.187 nan 8.290 nan 0.000 0.531 198 V N 1.022 120.975 119.914 0.065 0.000 2.470 198 V HA 0.150 4.271 4.120 0.002 0.000 0.276 198 V C 0.250 176.417 176.094 0.122 0.000 1.040 198 V CA -0.059 62.299 62.300 0.097 0.000 1.008 198 V CB 1.004 32.916 31.823 0.149 0.000 0.990 198 V HN 0.218 nan 8.190 nan 0.000 0.477 199 K N 5.803 126.278 120.400 0.124 0.000 2.183 199 K HA 0.635 4.956 4.320 0.002 0.000 0.274 199 K C -0.850 175.882 176.600 0.219 0.000 1.009 199 K CA -0.358 56.016 56.287 0.144 0.000 0.888 199 K CB 1.653 34.225 32.500 0.120 0.000 1.078 199 K HN 0.521 nan 8.250 nan 0.000 0.459 200 I N 4.553 125.256 120.570 0.222 0.000 2.418 200 I HA 0.299 4.470 4.170 0.002 0.000 0.287 200 I C -0.633 175.629 176.117 0.241 0.000 1.008 200 I CA -0.820 60.641 61.300 0.269 0.000 1.104 200 I CB 1.362 39.482 38.000 0.200 0.000 1.264 200 I HN 0.359 nan 8.210 nan 0.000 0.438 201 I N 7.431 128.181 120.570 0.299 0.000 2.355 201 I HA 0.334 4.505 4.170 0.002 0.000 0.288 201 I C -0.211 176.040 176.117 0.223 0.000 0.999 201 I CA -0.691 60.788 61.300 0.299 0.000 1.163 201 I CB 1.586 39.870 38.000 0.474 0.000 1.316 201 I HN 0.126 nan 8.210 nan 0.000 0.454 202 V N 5.950 125.950 119.914 0.144 0.000 2.347 202 V HA 0.592 4.713 4.120 0.002 0.000 0.280 202 V C 0.470 176.564 176.094 -0.001 0.000 1.021 202 V CA -0.580 61.758 62.300 0.065 0.000 0.847 202 V CB 1.480 33.338 31.823 0.059 0.000 0.990 202 V HN 0.845 nan 8.190 nan 0.000 0.444 203 A N 4.183 126.906 122.820 -0.163 0.000 2.273 203 A HA 0.789 5.110 4.320 0.002 0.000 0.315 203 A C -0.656 176.686 177.584 -0.403 0.000 1.256 203 A CA -0.281 51.475 52.037 -0.469 0.000 0.851 203 A CB 0.673 19.397 19.000 -0.459 0.000 1.172 203 A HN 0.773 nan 8.150 nan 0.000 0.508 204 D N 3.148 123.256 120.400 -0.487 0.000 2.746 204 D HA 0.252 4.893 4.640 0.002 0.000 0.211 204 D C -2.659 173.598 176.300 -0.071 0.000 1.242 204 D CA -0.943 52.987 54.000 -0.117 0.000 0.790 204 D CB 1.867 42.671 40.800 0.006 0.000 1.744 204 D HN 0.060 nan 8.370 nan 0.000 0.520 205 P HA -0.065 nan 4.420 nan 0.000 0.218 205 P C -0.144 177.218 177.300 0.104 0.000 1.146 205 P CA 1.071 64.216 63.100 0.075 0.000 0.813 205 P CB 0.251 32.014 31.700 0.104 0.000 0.778 206 R N -0.230 120.340 120.500 0.117 0.000 2.393 206 R HA 0.342 4.683 4.340 0.002 0.000 0.310 206 R C 0.251 176.575 176.300 0.041 0.000 0.968 206 R CA -0.804 55.354 56.100 0.098 0.000 0.867 206 R CB 1.152 31.492 30.300 0.067 0.000 1.124 206 R HN -0.117 nan 8.270 nan 0.000 0.450 207 R N 2.444 122.937 120.500 -0.012 0.000 2.351 207 R HA 0.045 4.386 4.340 0.002 0.000 0.321 207 R C -0.184 176.003 176.300 -0.188 0.000 1.182 207 R CA 0.070 55.996 56.100 -0.290 0.000 1.011 207 R CB 0.060 30.289 30.300 -0.118 0.000 1.048 207 R HN 0.714 nan 8.270 nan 0.000 0.490 208 T N -0.171 114.252 114.554 -0.219 0.000 2.893 208 T HA 0.197 4.548 4.350 0.002 0.000 0.279 208 T C 1.146 175.744 174.700 -0.169 0.000 0.991 208 T CA -0.950 61.060 62.100 -0.150 0.000 0.950 208 T CB 0.945 69.733 68.868 -0.134 0.000 1.223 208 T HN 0.421 nan 8.240 nan 0.000 0.585 209 N N 0.494 119.091 118.700 -0.172 0.000 2.272 209 N HA -0.102 4.639 4.740 0.002 0.000 0.185 209 N C 1.795 177.187 175.510 -0.197 0.000 1.014 209 N CA 1.419 54.368 53.050 -0.168 0.000 0.870 209 N CB -0.959 37.413 38.487 -0.192 0.000 0.975 209 N HN 0.690 nan 8.380 nan 0.000 0.433 210 T N 0.587 114.958 114.554 -0.306 0.000 2.833 210 T HA -0.106 4.245 4.350 0.002 0.000 0.269 210 T C 2.179 176.880 174.700 0.000 0.000 1.054 210 T CA 1.487 63.425 62.100 -0.270 0.000 1.135 210 T CB -0.261 68.450 68.868 -0.261 0.000 0.869 210 T HN 0.491 nan 8.240 nan 0.000 0.466 211 S N 1.389 117.030 115.700 -0.099 0.000 2.489 211 S HA 0.030 4.501 4.470 0.002 0.000 0.228 211 S C 1.929 176.515 174.600 -0.023 0.000 0.995 211 S CA 0.080 58.218 58.200 -0.103 0.000 0.934 211 S CB -0.238 62.737 63.200 -0.375 0.000 0.771 211 S HN 0.258 nan 8.310 nan 0.000 0.522 212 R N 1.444 121.944 120.500 0.001 0.000 2.237 212 R HA 0.161 4.502 4.340 0.002 0.000 0.219 212 R C 2.032 178.372 176.300 0.066 0.000 1.080 212 R CA 1.162 57.280 56.100 0.030 0.000 0.995 212 R CB -0.664 29.651 30.300 0.025 0.000 0.875 212 R HN 0.808 nan 8.270 nan 0.000 0.462 213 I N -2.622 118.013 120.570 0.108 0.000 3.956 213 I HA 0.309 4.480 4.170 0.002 0.000 0.333 213 I C 0.480 176.639 176.117 0.070 0.000 1.302 213 I CA -0.298 61.043 61.300 0.068 0.000 1.122 213 I CB 0.229 38.237 38.000 0.013 0.000 1.013 213 I HN -0.241 nan 8.210 nan 0.000 0.405 214 A N 1.386 124.258 122.820 0.086 0.000 2.388 214 A HA 0.214 4.535 4.320 0.002 0.000 0.257 214 A C 0.268 177.913 177.584 0.100 0.000 1.095 214 A CA -0.100 51.999 52.037 0.104 0.000 0.791 214 A CB 0.166 19.234 19.000 0.114 0.000 1.029 214 A HN 0.458 nan 8.150 nan 0.000 0.489 215 D N 0.344 120.813 120.400 0.115 0.000 2.312 215 D HA 0.087 4.728 4.640 0.002 0.000 0.211 215 D C 0.355 176.726 176.300 0.120 0.000 0.964 215 D CA 1.121 55.187 54.000 0.109 0.000 0.877 215 D CB 0.091 40.961 40.800 0.115 0.000 0.924 215 D HN 0.523 nan 8.370 nan 0.000 0.515 216 M N 0.364 120.048 119.600 0.141 0.000 2.277 216 M HA 0.142 4.623 4.480 0.002 0.000 0.282 216 M C -2.042 174.355 176.300 0.161 0.000 1.074 216 M CA -0.614 54.772 55.300 0.143 0.000 0.954 216 M CB 2.155 34.851 32.600 0.160 0.000 1.672 216 M HN -0.068 nan 8.290 nan 0.000 0.471 217 H N 4.926 124.007 119.070 0.017 0.000 2.595 217 H HA 0.526 5.083 4.556 0.002 0.000 0.313 217 H C -1.705 173.563 175.328 -0.099 0.000 1.023 217 H CA -0.627 55.394 56.048 -0.045 0.000 1.218 217 H CB 1.234 30.971 29.762 -0.041 0.000 1.403 217 H HN 0.530 nan 8.280 nan 0.000 0.477 218 V N 5.606 125.282 119.914 -0.397 0.000 2.304 218 V HA 0.177 4.298 4.120 0.002 0.000 0.262 218 V C 0.834 176.355 176.094 -0.955 0.000 1.061 218 V CA -0.209 61.736 62.300 -0.592 0.000 0.872 218 V CB 0.350 31.801 31.823 -0.620 0.000 1.077 218 V HN 0.864 nan 8.190 nan 0.000 0.480 219 A N 6.603 128.911 122.820 -0.853 0.000 3.135 219 A HA 0.483 4.804 4.320 0.002 0.000 0.253 219 A C 0.353 177.770 177.584 -0.278 0.000 1.638 219 A CA -0.465 51.202 52.037 -0.617 0.000 1.295 219 A CB -0.908 17.827 19.000 -0.442 0.000 1.106 219 A HN 0.680 nan 8.150 nan 0.000 0.648 220 F N -0.886 118.938 119.950 -0.209 0.000 2.490 220 F HA 0.423 4.951 4.527 0.002 0.000 0.336 220 F C 0.724 176.451 175.800 -0.122 0.000 1.178 220 F CA -1.874 56.036 58.000 -0.149 0.000 1.301 220 F CB 0.234 39.121 39.000 -0.187 0.000 1.175 220 F HN 0.418 nan 8.300 nan 0.000 0.593 221 R N 2.170 122.767 120.500 0.161 0.000 2.489 221 R HA 0.241 4.582 4.340 0.002 0.000 0.287 221 R C -2.619 173.553 176.300 -0.213 0.000 1.053 221 R CA -1.349 54.737 56.100 -0.022 0.000 1.036 221 R CB -0.051 30.256 30.300 0.010 0.000 0.966 221 R HN 0.386 nan 8.270 nan 0.000 0.432 222 P HA -0.024 nan 4.420 nan 0.000 0.261 222 P C 0.195 177.176 177.300 -0.532 0.000 1.173 222 P CA 1.376 64.139 63.100 -0.561 0.000 0.760 222 P CB 0.738 31.889 31.700 -0.914 0.000 0.783 223 G N 2.362 110.978 108.800 -0.307 0.000 2.195 223 G HA2 -0.260 3.701 3.960 0.002 0.000 0.246 223 G HA3 -0.260 3.701 3.960 0.002 0.000 0.246 223 G C 0.698 175.487 174.900 -0.185 0.000 0.984 223 G CA 0.439 45.426 45.100 -0.188 0.000 0.633 223 G HN 0.649 nan 8.290 nan 0.000 0.525 224 T N -0.826 113.562 114.554 -0.277 0.000 3.145 224 T HA 0.344 4.695 4.350 0.002 0.000 0.255 224 T C 1.471 175.967 174.700 -0.340 0.000 1.039 224 T CA 1.057 63.032 62.100 -0.208 0.000 0.928 224 T CB 0.168 68.975 68.868 -0.101 0.000 1.029 224 T HN 0.321 nan 8.240 nan 0.000 0.554 225 D N 1.291 121.319 120.400 -0.619 0.000 2.312 225 D HA -0.006 4.635 4.640 0.002 0.000 0.211 225 D C 1.627 177.798 176.300 -0.215 0.000 0.964 225 D CA 0.159 53.748 54.000 -0.685 0.000 0.877 225 D CB -0.420 39.839 40.800 -0.901 0.000 0.924 225 D HN 0.359 nan 8.370 nan 0.000 0.515 226 L N 0.707 121.810 121.223 -0.200 0.000 2.044 226 L HA 0.069 4.410 4.340 0.002 0.000 0.205 226 L C 2.641 179.352 176.870 -0.265 0.000 1.075 226 L CA 1.519 56.225 54.840 -0.223 0.000 0.747 226 L CB -0.694 41.275 42.059 -0.151 0.000 0.903 226 L HN 0.105 nan 8.230 nan 0.000 0.435 227 A N -0.972 121.791 122.820 -0.095 0.000 1.933 227 A HA -0.267 4.054 4.320 0.002 0.000 0.218 227 A C 2.258 179.843 177.584 0.000 0.000 1.175 227 A CA 1.587 53.624 52.037 -0.000 0.000 0.628 227 A CB -0.978 18.127 19.000 0.176 0.000 0.814 227 A HN 0.389 nan 8.150 nan 0.000 0.444 228 F N 0.164 120.061 119.950 -0.088 0.000 2.069 228 F HA -0.229 4.299 4.527 0.002 0.000 0.298 228 F C 2.400 178.171 175.800 -0.048 0.000 1.113 228 F CA 2.391 60.379 58.000 -0.020 0.000 1.214 228 F CB -0.214 38.836 39.000 0.084 0.000 0.978 228 F HN 0.154 nan 8.300 nan 0.000 0.474 229 M N -1.078 118.572 119.600 0.084 0.000 2.229 229 M HA -0.198 4.283 4.480 0.002 0.000 0.264 229 M C 2.113 178.312 176.300 -0.169 0.000 1.063 229 M CA 1.013 56.280 55.300 -0.055 0.000 1.114 229 M CB -0.628 31.953 32.600 -0.033 0.000 1.387 229 M HN 0.173 nan 8.290 nan 0.000 0.420 230 H N -0.938 117.998 119.070 -0.224 0.000 2.353 230 H HA -0.066 4.491 4.556 0.002 0.000 0.300 230 H C 2.481 177.689 175.328 -0.199 0.000 1.090 230 H CA 1.513 57.391 56.048 -0.283 0.000 1.327 230 H CB -0.447 28.852 29.762 -0.773 0.000 1.383 230 H HN 0.274 nan 8.280 nan 0.000 0.508 231 S N -0.138 115.499 115.700 -0.105 0.000 2.368 231 S HA -0.126 4.345 4.470 0.002 0.000 0.225 231 S C 2.270 176.745 174.600 -0.208 0.000 1.030 231 S CA 1.055 59.155 58.200 -0.166 0.000 0.999 231 S CB -0.125 62.893 63.200 -0.303 0.000 0.844 231 S HN 0.263 nan 8.310 nan 0.000 0.459 232 M N 0.819 120.209 119.600 -0.350 0.000 2.106 232 M HA -0.193 4.288 4.480 0.002 0.000 0.259 232 M C 2.365 178.549 176.300 -0.194 0.000 1.068 232 M CA 1.800 56.903 55.300 -0.329 0.000 1.100 232 M CB -0.546 31.807 32.600 -0.411 0.000 1.351 232 M HN 0.475 nan 8.290 nan 0.000 0.404 233 A N -0.772 121.965 122.820 -0.138 0.000 1.898 233 A HA -0.223 4.098 4.320 0.002 0.000 0.216 233 A C 1.824 179.352 177.584 -0.094 0.000 1.181 233 A CA 1.380 53.359 52.037 -0.097 0.000 0.620 233 A CB -1.284 17.700 19.000 -0.027 0.000 0.819 233 A HN 0.768 nan 8.150 nan 0.000 0.442 234 W N 0.779 121.939 121.300 -0.233 0.000 2.317 234 W HA -0.265 4.396 4.660 0.002 0.000 0.318 234 W C 2.019 178.436 176.519 -0.169 0.000 1.227 234 W CA 2.803 60.018 57.345 -0.215 0.000 1.269 234 W CB -0.366 28.980 29.460 -0.190 0.000 1.155 234 W HN 0.124 nan 8.180 nan 0.000 0.484 235 V N 1.242 121.316 119.914 0.266 0.000 2.287 235 V HA -0.354 3.767 4.120 0.002 0.000 0.248 235 V C 2.140 178.218 176.094 -0.028 0.000 1.053 235 V CA 2.238 64.622 62.300 0.140 0.000 1.027 235 V CB -0.974 30.847 31.823 -0.003 0.000 0.646 235 V HN 0.271 nan 8.190 nan 0.000 0.447 236 I N -0.646 119.894 120.570 -0.049 0.000 2.286 236 I HA -0.243 3.928 4.170 0.002 0.000 0.248 236 I C 2.240 178.342 176.117 -0.025 0.000 1.115 236 I CA 1.705 62.993 61.300 -0.020 0.000 1.392 236 I CB -0.263 37.724 38.000 -0.022 0.000 1.065 236 I HN 0.240 nan 8.210 nan 0.000 0.418 237 I N 0.443 120.947 120.570 -0.111 0.000 2.233 237 I HA -0.268 3.903 4.170 0.002 0.000 0.243 237 I C 2.288 178.280 176.117 -0.208 0.000 1.093 237 I CA 1.392 62.629 61.300 -0.105 0.000 1.380 237 I CB -0.384 37.498 38.000 -0.197 0.000 1.067 237 I HN 0.248 nan 8.210 nan 0.000 0.413 238 N N 1.097 119.512 118.700 -0.476 0.000 2.149 238 N HA -0.215 4.526 4.740 0.002 0.000 0.188 238 N C 1.227 176.604 175.510 -0.222 0.000 1.019 238 N CA 1.328 54.048 53.050 -0.550 0.000 0.857 238 N CB 0.058 37.850 38.487 -1.158 0.000 0.997 238 N HN 0.333 nan 8.380 nan 0.000 0.426 239 E N 0.156 120.291 120.200 -0.107 0.000 2.419 239 E HA 0.045 4.396 4.350 0.002 0.000 0.190 239 E C -0.657 175.957 176.600 0.023 0.000 1.040 239 E CA -0.045 56.353 56.400 -0.004 0.000 0.900 239 E CB 0.121 29.857 29.700 0.060 0.000 1.054 239 E HN 0.370 nan 8.360 nan 0.000 0.462 240 E N 0.373 120.587 120.200 0.023 0.000 2.360 240 E HA -0.225 4.126 4.350 0.002 0.000 0.238 240 E C 0.385 177.039 176.600 0.089 0.000 1.186 240 E CA 0.067 56.509 56.400 0.071 0.000 0.719 240 E CB -1.329 28.408 29.700 0.061 0.000 1.236 240 E HN 0.415 nan 8.360 nan 0.000 0.386 241 L N 0.265 121.544 121.223 0.094 0.000 2.607 241 L HA 0.077 4.418 4.340 0.002 0.000 0.228 241 L C 1.329 178.286 176.870 0.146 0.000 1.123 241 L CA -0.168 54.736 54.840 0.107 0.000 0.890 241 L CB -0.298 41.818 42.059 0.094 0.000 1.103 241 L HN 0.235 nan 8.230 nan 0.000 0.468 242 D N -0.389 120.124 120.400 0.189 0.000 2.384 242 D HA -0.075 4.566 4.640 0.002 0.000 0.244 242 D C -0.132 176.335 176.300 0.278 0.000 1.251 242 D CA -0.254 53.916 54.000 0.285 0.000 0.961 242 D CB 0.943 41.982 40.800 0.398 0.000 1.116 242 D HN -0.138 nan 8.370 nan 0.000 0.484 243 N N 0.511 119.429 118.700 0.363 0.000 2.904 243 N HA 0.178 4.919 4.740 0.002 0.000 0.257 243 N C -1.990 173.521 175.510 0.002 0.000 1.363 243 N CA -2.067 51.117 53.050 0.224 0.000 0.856 243 N CB 1.162 39.802 38.487 0.256 0.000 1.166 243 N HN 0.132 nan 8.380 nan 0.000 0.499 244 P HA -0.127 nan 4.420 nan 0.000 0.217 244 P C 1.225 178.066 177.300 -0.764 0.000 1.150 244 P CA 0.817 63.268 63.100 -1.081 0.000 0.832 244 P CB 0.582 31.896 31.700 -0.642 0.000 0.787 245 R N -1.018 119.306 120.500 -0.293 0.000 2.117 245 R HA -0.127 4.214 4.340 0.002 0.000 0.243 245 R C 2.306 178.602 176.300 -0.006 0.000 1.143 245 R CA 1.074 57.095 56.100 -0.133 0.000 0.968 245 R CB -1.734 28.570 30.300 0.007 0.000 0.863 245 R HN 0.290 nan 8.270 nan 0.000 0.444 246 F N 1.086 121.037 119.950 0.002 0.000 2.074 246 F HA -0.179 4.349 4.527 0.002 0.000 0.293 246 F C 2.412 178.365 175.800 0.254 0.000 1.116 246 F CA 1.518 59.682 58.000 0.273 0.000 1.212 246 F CB -0.520 38.668 39.000 0.312 0.000 0.998 246 F HN 0.157 nan 8.300 nan 0.000 0.471 247 W N 0.510 121.982 121.300 0.287 0.000 2.465 247 W HA -0.076 4.585 4.660 0.002 0.000 0.268 247 W C 1.494 178.030 176.519 0.029 0.000 1.242 247 W CA 0.640 58.062 57.345 0.129 0.000 1.248 247 W CB -1.353 28.231 29.460 0.207 0.000 1.118 247 W HN 0.239 nan 8.180 nan 0.000 0.587 248 Q N 0.885 120.479 119.800 -0.343 0.000 2.167 248 Q HA -0.153 4.188 4.340 0.002 0.000 0.202 248 Q C 2.346 178.246 176.000 -0.167 0.000 0.970 248 Q CA 1.646 57.295 55.803 -0.257 0.000 0.855 248 Q CB -0.173 28.262 28.738 -0.504 0.000 0.911 248 Q HN 0.320 nan 8.270 nan 0.000 0.438 249 R N -1.017 119.305 120.500 -0.296 0.000 2.175 249 R HA 0.009 4.350 4.340 0.002 0.000 0.202 249 R C 0.610 176.586 176.300 -0.540 0.000 1.018 249 R CA 0.582 56.380 56.100 -0.504 0.000 1.029 249 R CB 0.495 30.313 30.300 -0.803 0.000 0.959 249 R HN 0.194 nan 8.270 nan 0.000 0.480 250 Y N -0.999 119.187 120.300 -0.190 0.000 2.557 250 Y HA 0.364 4.915 4.550 0.002 0.000 0.247 250 Y C -0.673 175.143 175.900 -0.141 0.000 1.164 250 Y CA -0.582 57.416 58.100 -0.171 0.000 1.218 250 Y CB 1.772 39.925 38.460 -0.511 0.000 1.210 250 Y HN -0.233 nan 8.280 nan 0.000 0.529 251 V N 1.045 120.948 119.914 -0.018 0.000 2.733 251 V HA 0.330 4.451 4.120 0.002 0.000 0.306 251 V C -0.932 175.048 176.094 -0.191 0.000 1.084 251 V CA -1.102 61.110 62.300 -0.147 0.000 0.905 251 V CB 2.013 33.752 31.823 -0.139 0.000 1.010 251 V HN 0.109 nan 8.190 nan 0.000 0.424 252 N N 2.324 120.825 118.700 -0.333 0.000 2.430 252 N HA 0.684 5.425 4.740 0.002 0.000 0.298 252 N C -1.252 173.893 175.510 -0.609 0.000 1.130 252 N CA -0.312 52.562 53.050 -0.293 0.000 0.894 252 N CB 1.905 40.256 38.487 -0.227 0.000 1.209 252 N HN 0.432 nan 8.380 nan 0.000 0.503 253 F N 0.921 120.685 119.950 -0.310 0.000 2.495 253 F HA 0.514 5.042 4.527 0.002 0.000 0.327 253 F C 0.358 175.894 175.800 -0.439 0.000 1.103 253 F CA -0.682 57.069 58.000 -0.415 0.000 0.949 253 F CB 1.291 40.097 39.000 -0.322 0.000 1.142 253 F HN -0.012 nan 8.300 nan 0.000 0.457 254 M N 2.855 122.195 119.600 -0.432 0.000 2.321 254 M HA 0.266 4.747 4.480 0.002 0.000 0.315 254 M C -0.736 175.403 176.300 -0.269 0.000 1.052 254 M CA -0.902 54.141 55.300 -0.427 0.000 0.936 254 M CB 1.803 33.878 32.600 -0.874 0.000 1.639 254 M HN 0.648 nan 8.290 nan 0.000 0.433 255 D N 1.999 122.302 120.400 -0.162 0.000 2.414 255 D HA 0.349 4.990 4.640 0.002 0.000 0.259 255 D C 1.029 177.252 176.300 -0.127 0.000 1.269 255 D CA -0.383 53.528 54.000 -0.148 0.000 1.028 255 D CB 0.450 41.210 40.800 -0.066 0.000 1.093 255 D HN 0.601 nan 8.370 nan 0.000 0.545 256 A N -0.692 122.062 122.820 -0.110 0.000 2.070 256 A HA -0.160 4.161 4.320 0.002 0.000 0.220 256 A C 1.613 179.224 177.584 0.045 0.000 1.159 256 A CA 1.036 53.063 52.037 -0.016 0.000 0.656 256 A CB -0.683 18.422 19.000 0.175 0.000 0.800 256 A HN 0.623 nan 8.150 nan 0.000 0.453 257 E N -0.910 119.318 120.200 0.048 0.000 2.476 257 E HA 0.228 4.579 4.350 0.002 0.000 0.191 257 E C 0.918 177.568 176.600 0.083 0.000 1.064 257 E CA 0.255 56.694 56.400 0.065 0.000 0.866 257 E CB -0.214 29.518 29.700 0.055 0.000 0.952 257 E HN 0.701 nan 8.360 nan 0.000 0.492 258 G N 2.464 111.321 108.800 0.094 0.000 2.221 258 G HA2 -0.315 3.646 3.960 0.002 0.000 0.265 258 G HA3 -0.315 3.646 3.960 0.002 0.000 0.265 258 G C -0.097 174.847 174.900 0.074 0.000 1.041 258 G CA 0.540 45.748 45.100 0.180 0.000 0.807 258 G HN 0.170 nan 8.290 nan 0.000 0.502 259 K N 0.754 121.156 120.400 0.003 0.000 2.207 259 K HA 0.526 4.847 4.320 0.002 0.000 0.255 259 K C -2.263 174.296 176.600 -0.068 0.000 0.941 259 K CA -2.333 53.942 56.287 -0.019 0.000 0.825 259 K CB 2.160 34.661 32.500 0.002 0.000 1.119 259 K HN -0.049 nan 8.250 nan 0.000 0.430 260 P HA -0.127 nan 4.420 nan 0.000 0.263 260 P C -0.579 176.690 177.300 -0.051 0.000 1.168 260 P CA 0.400 63.455 63.100 -0.075 0.000 0.759 260 P CB 1.012 32.685 31.700 -0.044 0.000 0.782 261 S N 1.151 116.829 115.700 -0.038 0.000 3.144 261 S HA 0.690 5.161 4.470 0.002 0.000 0.325 261 S C -1.646 172.936 174.600 -0.030 0.000 1.161 261 S CA -0.370 57.806 58.200 -0.041 0.000 0.920 261 S CB 1.043 64.206 63.200 -0.062 0.000 1.340 261 S HN 0.593 nan 8.310 nan 0.000 0.681 262 D N -0.667 119.624 120.400 -0.182 0.000 2.665 262 D HA 0.274 4.915 4.640 0.002 0.000 0.287 262 D C 0.205 175.961 176.300 -0.907 0.000 1.266 262 D CA -0.642 53.147 54.000 -0.352 0.000 0.830 262 D CB -0.437 40.288 40.800 -0.125 0.000 1.356 262 D HN 0.347 nan 8.370 nan 0.000 0.437 263 F N 0.903 120.121 119.950 -1.220 0.000 2.126 263 F HA -0.125 4.403 4.527 0.002 0.000 0.299 263 F C 1.871 177.322 175.800 -0.582 0.000 1.096 263 F CA 1.757 58.999 58.000 -1.264 0.000 1.255 263 F CB -0.021 38.392 39.000 -0.979 0.000 0.997 263 F HN 0.271 nan 8.300 nan 0.000 0.479 264 E N 0.264 120.230 120.200 -0.390 0.000 2.110 264 E HA -0.145 4.206 4.350 0.002 0.000 0.193 264 E C 2.538 178.959 176.600 -0.299 0.000 0.988 264 E CA 1.201 57.402 56.400 -0.331 0.000 0.804 264 E CB -1.163 28.458 29.700 -0.132 0.000 0.745 264 E HN 0.534 nan 8.360 nan 0.000 0.458 265 G N 0.003 108.653 108.800 -0.250 0.000 2.422 265 G HA2 -0.271 3.690 3.960 0.002 0.000 0.218 265 G HA3 -0.271 3.690 3.960 0.002 0.000 0.218 265 G C 1.524 176.372 174.900 -0.086 0.000 1.140 265 G CA 0.516 45.528 45.100 -0.148 0.000 0.775 265 G HN 0.222 nan 8.290 nan 0.000 0.545 266 Y N 1.785 121.860 120.300 -0.375 0.000 2.114 266 Y HA -0.087 4.464 4.550 0.002 0.000 0.284 266 Y C 2.755 178.522 175.900 -0.222 0.000 1.143 266 Y CA 1.601 59.542 58.100 -0.265 0.000 1.135 266 Y CB -0.392 37.871 38.460 -0.328 0.000 0.980 266 Y HN 0.090 nan 8.280 nan 0.000 0.499 267 K N -0.252 119.853 120.400 -0.492 0.000 2.089 267 K HA -0.262 4.059 4.320 0.002 0.000 0.210 267 K C 2.240 178.693 176.600 -0.246 0.000 1.048 267 K CA 1.576 57.560 56.287 -0.506 0.000 0.926 267 K CB -0.534 31.600 32.500 -0.610 0.000 0.714 267 K HN 0.408 nan 8.250 nan 0.000 0.448 268 A N 0.861 123.588 122.820 -0.156 0.000 1.929 268 A HA -0.130 4.191 4.320 0.002 0.000 0.216 268 A C 1.971 179.552 177.584 -0.006 0.000 1.176 268 A CA 0.867 52.862 52.037 -0.071 0.000 0.628 268 A CB -0.576 18.390 19.000 -0.056 0.000 0.816 268 A HN 0.342 nan 8.150 nan 0.000 0.444 269 F N 0.831 120.722 119.950 -0.098 0.000 2.102 269 F HA -0.141 4.387 4.527 0.002 0.000 0.298 269 F C 1.810 177.591 175.800 -0.032 0.000 1.105 269 F CA 1.801 59.769 58.000 -0.053 0.000 1.239 269 F CB -0.271 38.726 39.000 -0.005 0.000 0.991 269 F HN 0.127 nan 8.300 nan 0.000 0.474 270 L N 0.167 121.394 121.223 0.007 0.000 2.265 270 L HA -0.168 4.173 4.340 0.002 0.000 0.215 270 L C 2.315 179.260 176.870 0.126 0.000 1.117 270 L CA 0.767 55.613 54.840 0.010 0.000 0.782 270 L CB -0.802 41.188 42.059 -0.115 0.000 0.914 270 L HN 0.108 nan 8.230 nan 0.000 0.441 271 E N 0.268 120.504 120.200 0.060 0.000 2.233 271 E HA -0.269 4.082 4.350 0.002 0.000 0.199 271 E C 1.560 178.065 176.600 -0.158 0.000 1.004 271 E CA 1.161 57.597 56.400 0.060 0.000 0.819 271 E CB -0.409 29.293 29.700 0.003 0.000 0.738 271 E HN 0.485 nan 8.360 nan 0.000 0.478 272 N N -0.918 117.580 118.700 -0.338 0.000 2.461 272 N HA -0.097 4.644 4.740 0.002 0.000 0.188 272 N C -0.386 174.656 175.510 -0.780 0.000 1.134 272 N CA 0.290 52.985 53.050 -0.591 0.000 0.878 272 N CB 0.157 38.161 38.487 -0.804 0.000 0.972 272 N HN 0.032 nan 8.380 nan 0.000 0.456 273 Y N -0.264 119.840 120.300 -0.326 0.000 2.658 273 Y HA 0.356 4.907 4.550 0.002 0.000 0.273 273 Y C -0.233 175.387 175.900 -0.466 0.000 0.992 273 Y CA -0.793 57.123 58.100 -0.306 0.000 1.105 273 Y CB 0.053 38.384 38.460 -0.214 0.000 1.188 273 Y HN -0.206 nan 8.280 nan 0.000 0.616 274 R N 1.147 121.315 120.500 -0.552 0.000 2.590 274 R HA 0.046 4.387 4.340 0.002 0.000 0.274 274 R C -1.614 174.309 176.300 -0.629 0.000 1.061 274 R CA -1.144 54.372 56.100 -0.973 0.000 1.081 274 R CB 0.418 30.220 30.300 -0.830 0.000 0.984 274 R HN 0.110 nan 8.270 nan 0.000 0.448 275 P HA -0.249 nan 4.420 nan 0.000 0.219 275 P C 0.550 177.707 177.300 -0.238 0.000 1.158 275 P CA 1.501 64.331 63.100 -0.451 0.000 0.895 275 P CB 0.292 31.654 31.700 -0.564 0.000 0.792 276 E N -0.582 119.491 120.200 -0.212 0.000 2.058 276 E HA -0.201 4.150 4.350 0.002 0.000 0.194 276 E C 1.995 178.537 176.600 -0.097 0.000 0.997 276 E CA 1.391 57.727 56.400 -0.107 0.000 0.801 276 E CB -0.638 29.008 29.700 -0.089 0.000 0.746 276 E HN 0.256 nan 8.360 nan 0.000 0.450 277 K N 0.211 120.527 120.400 -0.141 0.000 2.026 277 K HA -0.114 4.207 4.320 0.002 0.000 0.208 277 K C 1.965 178.524 176.600 -0.069 0.000 1.048 277 K CA 1.312 57.533 56.287 -0.110 0.000 0.929 277 K CB -0.100 32.308 32.500 -0.153 0.000 0.713 277 K HN -0.009 nan 8.250 nan 0.000 0.439 278 V N 1.494 121.359 119.914 -0.081 0.000 2.343 278 V HA -0.249 3.872 4.120 0.002 0.000 0.247 278 V C 2.473 178.586 176.094 0.033 0.000 1.051 278 V CA 1.914 64.206 62.300 -0.013 0.000 1.036 278 V CB -0.784 31.018 31.823 -0.035 0.000 0.654 278 V HN 0.538 nan 8.190 nan 0.000 0.451 279 A N 0.327 123.153 122.820 0.010 0.000 1.892 279 A HA -0.339 3.982 4.320 0.002 0.000 0.218 279 A C 2.215 179.838 177.584 0.065 0.000 1.188 279 A CA 2.460 54.533 52.037 0.061 0.000 0.631 279 A CB -0.594 18.433 19.000 0.045 0.000 0.822 279 A HN 0.647 nan 8.150 nan 0.000 0.447 280 E N 0.223 120.442 120.200 0.033 0.000 2.051 280 E HA -0.158 4.193 4.350 0.002 0.000 0.192 280 E C 1.731 178.360 176.600 0.048 0.000 0.991 280 E CA 1.652 58.072 56.400 0.033 0.000 0.799 280 E CB -0.413 29.293 29.700 0.010 0.000 0.748 280 E HN 0.654 nan 8.360 nan 0.000 0.449 281 I N 0.049 120.648 120.570 0.047 0.000 2.179 281 I HA -0.315 3.856 4.170 0.002 0.000 0.242 281 I C 2.247 178.414 176.117 0.084 0.000 1.088 281 I CA 1.047 62.383 61.300 0.060 0.000 1.357 281 I CB -0.409 37.625 38.000 0.057 0.000 1.051 281 I HN 0.293 nan 8.210 nan 0.000 0.409 282 C N 0.502 119.871 119.300 0.114 0.000 2.456 282 C HA 0.059 4.520 4.460 0.002 0.000 0.279 282 C C 1.094 176.171 174.990 0.146 0.000 1.427 282 C CA -0.227 58.885 59.018 0.156 0.000 1.778 282 C CB -1.045 26.864 27.740 0.283 0.000 1.842 282 C HN 0.487 nan 8.230 nan 0.000 0.531 283 R N -0.838 119.731 120.500 0.114 0.000 3.418 283 R HA -0.134 4.207 4.340 0.002 0.000 0.274 283 R C -0.535 175.817 176.300 0.086 0.000 1.108 283 R CA 0.976 57.130 56.100 0.091 0.000 0.741 283 R CB -2.584 27.766 30.300 0.084 0.000 1.223 283 R HN 0.649 nan 8.270 nan 0.000 0.434 284 V N -3.492 116.487 119.914 0.109 0.000 3.001 284 V HA 0.847 4.968 4.120 0.002 0.000 0.314 284 V C -2.217 173.941 176.094 0.105 0.000 1.099 284 V CA -2.694 59.668 62.300 0.103 0.000 0.989 284 V CB 2.656 34.568 31.823 0.149 0.000 1.040 284 V HN -0.092 nan 8.190 nan 0.000 0.434 285 P HA 0.187 nan 4.420 nan 0.000 0.265 285 P C 1.172 178.551 177.300 0.131 0.000 1.193 285 P CA 0.132 63.290 63.100 0.097 0.000 0.765 285 P CB 0.871 32.622 31.700 0.085 0.000 0.823 286 V N 0.728 120.717 119.914 0.125 0.000 2.469 286 V HA -0.274 3.847 4.120 0.002 0.000 0.251 286 V C 2.377 178.632 176.094 0.268 0.000 1.064 286 V CA 2.200 64.598 62.300 0.164 0.000 1.066 286 V CB -2.370 29.564 31.823 0.186 0.000 0.667 286 V HN 0.537 nan 8.190 nan 0.000 0.461 287 E N 0.184 120.519 120.200 0.226 0.000 2.209 287 E HA -0.302 4.049 4.350 0.002 0.000 0.196 287 E C 2.053 178.798 176.600 0.241 0.000 0.993 287 E CA 1.734 58.275 56.400 0.235 0.000 0.819 287 E CB -0.724 29.055 29.700 0.132 0.000 0.745 287 E HN 0.835 nan 8.360 nan 0.000 0.477 288 Q N -0.811 119.119 119.800 0.216 0.000 2.079 288 Q HA 0.014 4.355 4.340 0.002 0.000 0.200 288 Q C 2.498 178.660 176.000 0.270 0.000 0.974 288 Q CA 1.327 57.282 55.803 0.253 0.000 0.840 288 Q CB -0.194 28.703 28.738 0.265 0.000 0.898 288 Q HN 0.674 nan 8.270 nan 0.000 0.430 289 I N -0.340 120.297 120.570 0.112 0.000 2.226 289 I HA -0.297 3.874 4.170 0.002 0.000 0.245 289 I C 1.798 177.801 176.117 -0.190 0.000 1.100 289 I CA 1.354 62.487 61.300 -0.277 0.000 1.374 289 I CB -0.341 37.368 38.000 -0.485 0.000 1.057 289 I HN 0.170 nan 8.210 nan 0.000 0.413 290 Y N 0.979 121.287 120.300 0.013 0.000 2.163 290 Y HA -0.114 4.437 4.550 0.002 0.000 0.288 290 Y C 2.679 178.619 175.900 0.067 0.000 1.136 290 Y CA 1.583 59.708 58.100 0.043 0.000 1.147 290 Y CB -1.156 37.338 38.460 0.056 0.000 0.987 290 Y HN 0.094 nan 8.280 nan 0.000 0.509 291 G N -0.526 108.420 108.800 0.244 0.000 2.421 291 G HA2 -0.238 3.723 3.960 0.002 0.000 0.216 291 G HA3 -0.238 3.723 3.960 0.002 0.000 0.216 291 G C 1.919 176.930 174.900 0.186 0.000 1.171 291 G CA 1.057 46.275 45.100 0.195 0.000 0.775 291 G HN 0.470 nan 8.290 nan 0.000 0.543 292 A N 1.231 124.175 122.820 0.208 0.000 1.877 292 A HA 0.233 4.554 4.320 0.002 0.000 0.216 292 A C 2.841 180.497 177.584 0.119 0.000 1.186 292 A CA 2.400 54.575 52.037 0.229 0.000 0.620 292 A CB -0.898 18.336 19.000 0.390 0.000 0.822 292 A HN 0.820 nan 8.150 nan 0.000 0.443 293 A N -0.179 122.653 122.820 0.020 0.000 1.883 293 A HA -0.197 4.124 4.320 0.002 0.000 0.217 293 A C 2.269 179.897 177.584 0.073 0.000 1.186 293 A CA 1.738 53.749 52.037 -0.042 0.000 0.624 293 A CB -0.494 18.450 19.000 -0.094 0.000 0.822 293 A HN 0.561 nan 8.150 nan 0.000 0.444 294 R N -0.601 119.969 120.500 0.116 0.000 2.066 294 R HA -0.030 4.311 4.340 0.002 0.000 0.232 294 R C 2.561 178.944 176.300 0.138 0.000 1.131 294 R CA 1.165 57.345 56.100 0.133 0.000 0.955 294 R CB -0.555 29.830 30.300 0.141 0.000 0.851 294 R HN 0.513 nan 8.270 nan 0.000 0.432 295 A N 1.225 124.134 122.820 0.148 0.000 1.859 295 A HA -0.260 4.061 4.320 0.002 0.000 0.217 295 A C 2.033 179.697 177.584 0.133 0.000 1.198 295 A CA 1.625 53.745 52.037 0.137 0.000 0.629 295 A CB -0.979 18.119 19.000 0.163 0.000 0.830 295 A HN 0.392 nan 8.150 nan 0.000 0.446 296 F N 0.486 120.438 119.950 0.003 0.000 2.063 296 F HA -0.225 4.303 4.527 0.002 0.000 0.298 296 F C 2.583 178.356 175.800 -0.045 0.000 1.109 296 F CA 2.094 60.062 58.000 -0.052 0.000 1.212 296 F CB -0.199 38.703 39.000 -0.163 0.000 0.973 296 F HN 0.274 nan 8.300 nan 0.000 0.480 297 A N -0.507 122.532 122.820 0.365 0.000 1.898 297 A HA -0.098 4.223 4.320 0.002 0.000 0.214 297 A C 2.022 179.686 177.584 0.132 0.000 1.183 297 A CA 1.442 53.635 52.037 0.260 0.000 0.622 297 A CB -0.688 18.424 19.000 0.186 0.000 0.824 297 A HN 0.528 nan 8.150 nan 0.000 0.444 298 E N 0.499 120.762 120.200 0.105 0.000 2.216 298 E HA 0.024 4.375 4.350 0.002 0.000 0.192 298 E C 0.278 176.904 176.600 0.045 0.000 0.988 298 E CA 0.092 56.536 56.400 0.073 0.000 0.834 298 E CB -0.004 29.740 29.700 0.074 0.000 0.772 298 E HN 0.410 nan 8.360 nan 0.000 0.479 299 S N 0.434 116.149 115.700 0.025 0.000 2.563 299 S HA 0.057 4.528 4.470 0.002 0.000 0.284 299 S C 1.101 175.685 174.600 -0.027 0.000 1.331 299 S CA 0.036 58.228 58.200 -0.013 0.000 1.047 299 S CB 1.277 64.442 63.200 -0.059 0.000 0.859 299 S HN 0.326 nan 8.310 nan 0.000 0.514 300 A N 2.260 125.063 122.820 -0.028 0.000 1.930 300 A HA 0.381 4.702 4.320 0.002 0.000 0.217 300 A C 0.931 178.487 177.584 -0.047 0.000 1.175 300 A CA 1.221 53.244 52.037 -0.023 0.000 0.627 300 A CB -0.231 18.760 19.000 -0.015 0.000 0.815 300 A HN 1.092 nan 8.150 nan 0.000 0.443 301 A N -1.386 121.381 122.820 -0.088 0.000 2.465 301 A HA 0.589 4.910 4.320 0.002 0.000 0.292 301 A C -0.531 176.929 177.584 -0.206 0.000 1.041 301 A CA -0.269 51.696 52.037 -0.120 0.000 0.718 301 A CB 0.886 19.824 19.000 -0.104 0.000 1.266 301 A HN 0.067 nan 8.150 nan 0.000 0.403 302 T N 2.896 117.307 114.554 -0.237 0.000 2.797 302 T HA 0.615 4.966 4.350 0.002 0.000 0.279 302 T C -0.343 174.258 174.700 -0.165 0.000 0.991 302 T CA -0.112 61.774 62.100 -0.358 0.000 0.979 302 T CB 1.039 69.441 68.868 -0.777 0.000 0.943 302 T HN 0.673 nan 8.240 nan 0.000 0.444 303 M N 2.703 122.198 119.600 -0.175 0.000 2.253 303 M HA 0.466 4.947 4.480 0.002 0.000 0.314 303 M C -0.783 175.708 176.300 0.318 0.000 1.019 303 M CA -0.447 54.894 55.300 0.069 0.000 0.932 303 M CB 1.165 33.715 32.600 -0.082 0.000 1.606 303 M HN 0.475 nan 8.290 nan 0.000 0.430 304 S N 5.273 121.330 115.700 0.594 0.000 2.525 304 S HA 0.735 5.206 4.470 0.002 0.000 0.278 304 S C -0.883 174.121 174.600 0.673 0.000 1.234 304 S CA -0.612 58.064 58.200 0.793 0.000 1.058 304 S CB 0.870 64.782 63.200 1.186 0.000 0.983 304 S HN 0.636 nan 8.310 nan 0.000 0.495 305 L N 3.096 124.660 121.223 0.569 0.000 2.410 305 L HA 0.751 5.092 4.340 0.002 0.000 0.270 305 L C -0.952 176.179 176.870 0.435 0.000 0.983 305 L CA -0.555 54.513 54.840 0.380 0.000 0.822 305 L CB 1.454 43.666 42.059 0.255 0.000 1.285 305 L HN 0.895 nan 8.230 nan 0.000 0.409 306 W N 1.646 123.041 121.300 0.159 0.000 3.062 306 W HA 0.835 5.496 4.660 0.002 0.000 0.336 306 W C -0.967 175.622 176.519 0.116 0.000 1.224 306 W CA -0.660 56.743 57.345 0.097 0.000 1.159 306 W CB 0.934 30.430 29.460 0.061 0.000 1.454 306 W HN 0.585 nan 8.180 nan 0.000 0.569 307 C N 0.814 120.291 119.300 0.295 0.000 4.331 307 C HA 0.360 4.821 4.460 0.002 0.000 0.199 307 C C 1.657 176.795 174.990 0.247 0.000 3.717 307 C CA -0.297 58.849 59.018 0.213 0.000 1.767 307 C CB 0.379 28.246 27.740 0.212 0.000 4.439 307 C HN 0.838 nan 8.230 nan 0.000 0.476 308 M N 1.391 121.095 119.600 0.173 0.000 2.492 308 M HA 0.118 4.599 4.480 0.002 0.000 0.262 308 M C 1.816 178.185 176.300 0.115 0.000 1.090 308 M CA 1.424 56.802 55.300 0.131 0.000 1.110 308 M CB -1.881 30.763 32.600 0.074 0.000 1.407 308 M HN 0.851 nan 8.290 nan 0.000 0.470 309 G N 0.132 109.007 108.800 0.125 0.000 2.471 309 G HA2 -0.095 3.866 3.960 0.002 0.000 0.219 309 G HA3 -0.095 3.866 3.960 0.002 0.000 0.219 309 G C 1.530 176.479 174.900 0.083 0.000 1.125 309 G CA 0.254 45.414 45.100 0.100 0.000 0.775 309 G HN 0.318 nan 8.290 nan 0.000 0.548 310 I N 1.019 121.664 120.570 0.124 0.000 2.628 310 I HA 0.022 4.193 4.170 0.002 0.000 0.255 310 I C 1.883 178.042 176.117 0.069 0.000 1.119 310 I CA 0.630 61.967 61.300 0.061 0.000 1.448 310 I CB -0.683 37.316 38.000 -0.002 0.000 1.133 310 I HN 0.060 nan 8.210 nan 0.000 0.438 311 N N 1.107 119.897 118.700 0.149 0.000 2.207 311 N HA -0.103 4.638 4.740 0.002 0.000 0.182 311 N C 0.955 176.506 175.510 0.068 0.000 1.020 311 N CA 0.633 53.756 53.050 0.121 0.000 0.858 311 N CB -0.332 38.258 38.487 0.172 0.000 0.991 311 N HN 0.407 nan 8.380 nan 0.000 0.427 312 Q N 1.267 121.112 119.800 0.075 0.000 3.159 312 Q HA 0.186 4.527 4.340 0.002 0.000 0.280 312 Q C -0.567 175.440 176.000 0.012 0.000 1.403 312 Q CA 0.256 56.099 55.803 0.067 0.000 0.957 312 Q CB 0.111 28.921 28.738 0.120 0.000 1.729 312 Q HN 0.041 nan 8.270 nan 0.000 0.551 313 R N -0.147 120.338 120.500 -0.026 0.000 2.604 313 R HA 0.077 4.418 4.340 0.002 0.000 0.261 313 R C 0.566 176.814 176.300 -0.086 0.000 1.080 313 R CA -0.240 55.832 56.100 -0.047 0.000 0.917 313 R CB 1.005 31.281 30.300 -0.040 0.000 1.252 313 R HN 0.239 nan 8.270 nan 0.000 0.456 314 V N -0.712 119.147 119.914 -0.092 0.000 2.759 314 V HA -0.086 4.035 4.120 0.002 0.000 0.256 314 V C 0.962 176.950 176.094 -0.176 0.000 1.080 314 V CA 1.303 63.527 62.300 -0.126 0.000 1.101 314 V CB -0.314 31.451 31.823 -0.096 0.000 0.698 314 V HN 0.608 nan 8.190 nan 0.000 0.477 315 Q N 0.648 120.367 119.800 -0.136 0.000 2.237 315 Q HA 0.309 4.650 4.340 0.002 0.000 0.252 315 Q C 1.825 177.742 176.000 -0.138 0.000 0.877 315 Q CA 0.366 56.072 55.803 -0.161 0.000 1.011 315 Q CB 0.794 29.515 28.738 -0.029 0.000 1.118 315 Q HN 0.736 nan 8.270 nan 0.000 0.458 316 G N 0.545 109.259 108.800 -0.144 0.000 2.511 316 G HA2 -0.252 3.709 3.960 0.002 0.000 0.216 316 G HA3 -0.252 3.709 3.960 0.002 0.000 0.216 316 G C 1.374 176.222 174.900 -0.086 0.000 1.218 316 G CA 0.797 45.842 45.100 -0.091 0.000 0.788 316 G HN 0.274 nan 8.290 nan 0.000 0.560 317 V N 0.796 120.631 119.914 -0.131 0.000 2.282 317 V HA -0.194 3.927 4.120 0.002 0.000 0.249 317 V C 2.653 178.768 176.094 0.035 0.000 1.057 317 V CA 1.797 64.052 62.300 -0.075 0.000 1.032 317 V CB -0.684 31.058 31.823 -0.135 0.000 0.645 317 V HN 0.262 nan 8.190 nan 0.000 0.447 318 F N 0.791 120.653 119.950 -0.145 0.000 2.134 318 F HA -0.098 4.430 4.527 0.002 0.000 0.299 318 F C 2.511 178.209 175.800 -0.170 0.000 1.097 318 F CA 0.930 58.842 58.000 -0.147 0.000 1.264 318 F CB -1.626 37.319 39.000 -0.093 0.000 1.001 318 F HN 0.157 nan 8.300 nan 0.000 0.479 319 A N 0.275 123.103 122.820 0.012 0.000 1.940 319 A HA -0.209 4.112 4.320 0.002 0.000 0.219 319 A C 2.208 179.616 177.584 -0.293 0.000 1.176 319 A CA 1.789 53.742 52.037 -0.140 0.000 0.631 319 A CB -0.888 18.026 19.000 -0.143 0.000 0.814 319 A HN 0.422 nan 8.150 nan 0.000 0.446 320 N N -0.083 118.445 118.700 -0.286 0.000 2.106 320 N HA -0.147 4.594 4.740 0.002 0.000 0.188 320 N C 1.562 176.760 175.510 -0.520 0.000 1.029 320 N CA 1.481 54.231 53.050 -0.499 0.000 0.848 320 N CB -0.422 37.950 38.487 -0.192 0.000 1.007 320 N HN 0.645 nan 8.380 nan 0.000 0.423 321 N N 0.852 119.457 118.700 -0.159 0.000 2.091 321 N HA -0.176 4.565 4.740 0.002 0.000 0.193 321 N C 1.574 177.050 175.510 -0.056 0.000 1.021 321 N CA 0.831 53.880 53.050 -0.002 0.000 0.862 321 N CB -0.090 38.390 38.487 -0.011 0.000 1.018 321 N HN 0.058 nan 8.380 nan 0.000 0.429 322 L N 0.731 121.866 121.223 -0.146 0.000 2.141 322 L HA -0.065 4.276 4.340 0.002 0.000 0.209 322 L C 1.891 178.677 176.870 -0.140 0.000 1.094 322 L CA 1.208 55.958 54.840 -0.150 0.000 0.763 322 L CB -0.332 41.572 42.059 -0.259 0.000 0.908 322 L HN 0.224 nan 8.230 nan 0.000 0.437 323 I N -1.551 118.861 120.570 -0.264 0.000 2.202 323 I HA -0.289 3.882 4.170 0.002 0.000 0.242 323 I C 2.386 178.554 176.117 0.085 0.000 1.091 323 I CA 0.889 62.089 61.300 -0.167 0.000 1.368 323 I CB -0.470 37.178 38.000 -0.586 0.000 1.058 323 I HN 0.317 nan 8.210 nan 0.000 0.410 324 H N 0.616 119.777 119.070 0.152 0.000 2.456 324 H HA -0.090 4.467 4.556 0.002 0.000 0.296 324 H C 1.928 177.375 175.328 0.199 0.000 1.079 324 H CA 1.019 57.244 56.048 0.294 0.000 1.322 324 H CB -0.650 29.280 29.762 0.281 0.000 1.388 324 H HN 0.364 nan 8.280 nan 0.000 0.538 325 N N 0.804 119.607 118.700 0.172 0.000 2.120 325 N HA -0.093 4.648 4.740 0.002 0.000 0.188 325 N C 2.209 177.781 175.510 0.104 0.000 1.024 325 N CA 0.610 53.712 53.050 0.087 0.000 0.852 325 N CB -0.466 38.077 38.487 0.093 0.000 1.003 325 N HN 0.306 nan 8.380 nan 0.000 0.424 326 L N -0.099 121.131 121.223 0.012 0.000 2.046 326 L HA -0.150 4.191 4.340 0.002 0.000 0.208 326 L C 2.100 178.996 176.870 0.043 0.000 1.077 326 L CA 1.109 55.812 54.840 -0.228 0.000 0.747 326 L CB -0.515 41.031 42.059 -0.855 0.000 0.896 326 L HN 0.342 nan 8.230 nan 0.000 0.432 327 H N -0.358 118.914 119.070 0.336 0.000 2.470 327 H HA 0.040 4.597 4.556 0.002 0.000 0.289 327 H C 2.352 177.820 175.328 0.234 0.000 1.033 327 H CA 1.031 57.318 56.048 0.398 0.000 1.331 327 H CB 0.322 30.337 29.762 0.423 0.000 1.414 327 H HN 0.330 nan 8.280 nan 0.000 0.545 328 L N -0.045 121.382 121.223 0.340 0.000 2.179 328 L HA -0.100 4.241 4.340 0.002 0.000 0.208 328 L C 2.318 179.401 176.870 0.355 0.000 1.096 328 L CA 0.442 55.461 54.840 0.299 0.000 0.779 328 L CB -0.067 42.069 42.059 0.128 0.000 0.922 328 L HN 0.122 nan 8.230 nan 0.000 0.443 329 I N -0.307 120.432 120.570 0.283 0.000 2.761 329 I HA -0.182 3.989 4.170 0.002 0.000 0.261 329 I C 2.339 178.713 176.117 0.428 0.000 1.198 329 I CA 1.436 62.954 61.300 0.362 0.000 1.482 329 I CB 0.022 38.211 38.000 0.315 0.000 1.100 329 I HN 0.264 nan 8.210 nan 0.000 0.445 330 T N -3.281 111.450 114.554 0.295 0.000 3.014 330 T HA 0.287 4.638 4.350 0.002 0.000 0.250 330 T C 1.615 176.379 174.700 0.106 0.000 1.060 330 T CA 0.321 62.563 62.100 0.237 0.000 1.040 330 T CB -0.057 68.965 68.868 0.256 0.000 0.971 330 T HN 0.442 nan 8.240 nan 0.000 0.497 331 G N 2.087 110.839 108.800 -0.081 0.000 2.179 331 G HA2 -0.248 3.713 3.960 0.002 0.000 0.257 331 G HA3 -0.248 3.713 3.960 0.002 0.000 0.257 331 G C 0.175 174.867 174.900 -0.347 0.000 1.010 331 G CA 0.045 44.738 45.100 -0.678 0.000 0.736 331 G HN 0.569 nan 8.290 nan 0.000 0.513 332 Q N -0.397 119.368 119.800 -0.057 0.000 2.962 332 Q HA 0.512 4.853 4.340 0.002 0.000 0.251 332 Q C 0.474 176.544 176.000 0.117 0.000 1.380 332 Q CA 0.638 56.469 55.803 0.047 0.000 0.926 332 Q CB -0.136 28.655 28.738 0.089 0.000 1.704 332 Q HN 0.776 nan 8.270 nan 0.000 0.563 333 I N -1.593 118.923 120.570 -0.089 0.000 2.763 333 I HA 0.028 4.199 4.170 0.002 0.000 0.292 333 I C -0.538 175.438 176.117 -0.235 0.000 1.610 333 I CA -0.455 60.790 61.300 -0.091 0.000 1.002 333 I CB 1.562 39.565 38.000 0.005 0.000 1.416 333 I HN 0.464 nan 8.210 nan 0.000 0.479 334 C N 3.189 122.387 119.300 -0.170 0.000 4.475 334 C HA -0.150 4.311 4.460 0.002 0.000 0.280 334 C C 0.459 175.386 174.990 -0.106 0.000 1.338 334 C CA 0.554 59.433 59.018 -0.231 0.000 1.893 334 C CB -2.685 24.662 27.740 -0.656 0.000 1.299 334 C HN 0.716 nan 8.230 nan 0.000 0.767 335 R N -0.222 120.240 120.500 -0.063 0.000 2.795 335 R HA 0.510 4.851 4.340 0.002 0.000 0.275 335 R C -2.836 173.452 176.300 -0.021 0.000 0.981 335 R CA -1.693 54.406 56.100 -0.001 0.000 0.917 335 R CB 1.274 31.575 30.300 0.000 0.000 1.202 335 R HN -0.086 nan 8.270 nan 0.000 0.469 336 P HA 0.034 nan 4.420 nan 0.000 0.263 336 P C 0.426 177.703 177.300 -0.039 0.000 1.195 336 P CA 0.995 64.080 63.100 -0.025 0.000 0.762 336 P CB 0.714 32.405 31.700 -0.014 0.000 0.799 337 G N 2.563 111.331 108.800 -0.054 0.000 2.241 337 G HA2 -0.172 3.789 3.960 0.002 0.000 0.244 337 G HA3 -0.172 3.789 3.960 0.002 0.000 0.244 337 G C 0.267 175.105 174.900 -0.103 0.000 0.998 337 G CA 0.002 45.050 45.100 -0.086 0.000 0.621 337 G HN 0.857 nan 8.290 nan 0.000 0.519 338 A N 0.089 122.871 122.820 -0.064 0.000 2.267 338 A HA 0.871 5.192 4.320 0.002 0.000 0.315 338 A C -0.009 177.569 177.584 -0.009 0.000 1.297 338 A CA 0.782 52.798 52.037 -0.035 0.000 0.865 338 A CB 1.389 20.368 19.000 -0.035 0.000 1.165 338 A HN 1.418 nan 8.150 nan 0.000 0.513 339 T N 0.577 115.136 114.554 0.008 0.000 2.907 339 T HA 0.388 4.739 4.350 0.002 0.000 0.344 339 T C -1.152 173.432 174.700 -0.193 0.000 1.675 339 T CA -0.186 61.880 62.100 -0.056 0.000 1.076 339 T CB 1.408 70.285 68.868 0.014 0.000 1.483 339 T HN 0.836 nan 8.240 nan 0.000 0.487 340 S N 2.777 118.347 115.700 -0.217 0.000 2.404 340 S HA 0.627 5.098 4.470 0.002 0.000 0.309 340 S C -1.099 173.738 174.600 0.395 0.000 1.076 340 S CA -0.518 57.703 58.200 0.034 0.000 1.095 340 S CB -0.564 62.800 63.200 0.274 0.000 0.972 340 S HN 0.475 nan 8.310 nan 0.000 0.484 341 F N 5.343 125.394 119.950 0.169 0.000 2.434 341 F HA 0.401 4.929 4.527 0.002 0.000 0.367 341 F C 0.300 175.727 175.800 -0.622 0.000 1.093 341 F CA -0.546 57.401 58.000 -0.087 0.000 1.085 341 F CB 1.101 40.081 39.000 -0.033 0.000 1.322 341 F HN 0.522 nan 8.300 nan 0.000 0.452 342 S N 6.493 121.597 115.700 -0.993 0.000 2.531 342 S HA 0.362 4.833 4.470 0.002 0.000 0.279 342 S C -0.239 173.961 174.600 -0.667 0.000 1.305 342 S CA -0.593 56.806 58.200 -1.335 0.000 1.058 342 S CB 0.269 63.040 63.200 -0.714 0.000 0.899 342 S HN 0.647 nan 8.310 nan 0.000 0.493 343 L N 4.785 125.728 121.223 -0.466 0.000 2.319 343 L HA 0.273 4.614 4.340 0.002 0.000 0.280 343 L C 0.612 177.457 176.870 -0.040 0.000 1.099 343 L CA -0.311 54.438 54.840 -0.151 0.000 0.828 343 L CB 0.996 42.935 42.059 -0.201 0.000 1.150 343 L HN 0.681 nan 8.230 nan 0.000 0.442 344 T N 2.516 117.113 114.554 0.072 0.000 2.799 344 T HA 0.218 4.569 4.350 0.002 0.000 0.286 344 T C 1.071 175.974 174.700 0.337 0.000 0.973 344 T CA -0.149 62.054 62.100 0.171 0.000 1.035 344 T CB 1.761 70.720 68.868 0.152 0.000 0.932 344 T HN 0.823 nan 8.240 nan 0.000 0.469 345 G N 2.114 111.099 108.800 0.308 0.000 2.425 345 G HA2 -0.030 3.931 3.960 0.002 0.000 0.213 345 G HA3 -0.030 3.931 3.960 0.002 0.000 0.213 345 G C 0.533 175.650 174.900 0.362 0.000 1.201 345 G CA 0.335 45.631 45.100 0.327 0.000 0.799 345 G HN 0.606 nan 8.290 nan 0.000 0.534 346 Q N 0.450 120.451 119.800 0.334 0.000 2.368 346 Q HA 0.164 4.505 4.340 0.002 0.000 0.237 346 Q C -1.393 174.717 176.000 0.183 0.000 0.987 346 Q CA -1.749 54.274 55.803 0.367 0.000 0.896 346 Q CB 1.700 30.607 28.738 0.281 0.000 1.241 346 Q HN 0.112 nan 8.270 nan 0.000 0.485 347 P HA -0.122 nan 4.420 nan 0.000 0.219 347 P C 0.270 177.398 177.300 -0.286 0.000 1.150 347 P CA 1.480 64.455 63.100 -0.208 0.000 0.814 347 P CB 0.379 31.750 31.700 -0.548 0.000 0.787 348 N N -1.590 116.928 118.700 -0.302 0.000 2.466 348 N HA 0.295 5.036 4.740 0.002 0.000 0.272 348 N C 1.001 176.536 175.510 0.041 0.000 1.455 348 N CA -0.058 52.910 53.050 -0.136 0.000 0.875 348 N CB -0.214 38.135 38.487 -0.229 0.000 1.372 348 N HN -0.185 nan 8.380 nan 0.000 0.492 349 A N -0.580 122.294 122.820 0.089 0.000 1.930 349 A HA -0.095 4.226 4.320 0.002 0.000 0.217 349 A C 2.240 179.930 177.584 0.177 0.000 1.175 349 A CA 1.279 53.398 52.037 0.137 0.000 0.627 349 A CB -0.767 18.324 19.000 0.151 0.000 0.815 349 A HN 0.511 nan 8.150 nan 0.000 0.443 350 C N -1.211 118.211 119.300 0.204 0.000 2.455 350 C HA 0.046 4.507 4.460 0.002 0.000 0.281 350 C C 3.048 178.244 174.990 0.344 0.000 1.237 350 C CA 0.811 59.998 59.018 0.281 0.000 1.726 350 C CB -1.576 26.340 27.740 0.294 0.000 2.068 350 C HN 0.664 nan 8.230 nan 0.000 0.466 351 G N -0.245 108.760 108.800 0.342 0.000 2.403 351 G HA2 0.128 4.089 3.960 0.002 0.000 0.216 351 G HA3 0.128 4.089 3.960 0.002 0.000 0.216 351 G C 1.731 176.758 174.900 0.210 0.000 1.154 351 G CA 1.164 46.447 45.100 0.304 0.000 0.784 351 G HN 0.606 nan 8.290 nan 0.000 0.538 352 G N -0.233 108.665 108.800 0.164 0.000 2.408 352 G HA2 0.080 4.041 3.960 0.002 0.000 0.213 352 G HA3 0.080 4.041 3.960 0.002 0.000 0.213 352 G C 1.516 176.469 174.900 0.089 0.000 1.177 352 G CA 1.280 46.452 45.100 0.120 0.000 0.802 352 G HN 0.297 nan 8.290 nan 0.000 0.533 353 V N -0.302 119.684 119.914 0.120 0.000 2.806 353 V HA 0.155 4.276 4.120 0.002 0.000 0.239 353 V C 2.639 178.800 176.094 0.112 0.000 1.113 353 V CA 0.653 63.018 62.300 0.109 0.000 1.137 353 V CB -0.127 31.774 31.823 0.130 0.000 0.865 353 V HN 0.141 nan 8.190 nan 0.000 0.482 354 R N 0.726 121.324 120.500 0.163 0.000 2.064 354 R HA -0.106 4.235 4.340 0.002 0.000 0.228 354 R C 2.075 178.479 176.300 0.174 0.000 1.144 354 R CA 1.958 58.169 56.100 0.185 0.000 0.932 354 R CB -0.441 30.007 30.300 0.247 0.000 0.833 354 R HN 0.449 nan 8.270 nan 0.000 0.429 355 D N -0.273 120.285 120.400 0.263 0.000 2.117 355 D HA -0.087 4.554 4.640 0.002 0.000 0.197 355 D C 1.662 178.097 176.300 0.225 0.000 0.987 355 D CA 1.454 55.628 54.000 0.289 0.000 0.829 355 D CB -0.493 40.589 40.800 0.471 0.000 0.961 355 D HN 0.412 nan 8.370 nan 0.000 0.460 356 G N -0.347 108.523 108.800 0.117 0.000 3.124 356 G HA2 0.241 4.202 3.960 0.002 0.000 0.212 356 G HA3 0.241 4.202 3.960 0.002 0.000 0.212 356 G C 1.030 175.797 174.900 -0.221 0.000 1.181 356 G CA 0.227 45.147 45.100 -0.301 0.000 0.803 356 G HN 0.415 nan 8.290 nan 0.000 0.529 357 G N -0.061 108.681 108.800 -0.098 0.000 2.396 357 G HA2 0.041 4.002 3.960 0.002 0.000 0.288 357 G HA3 0.041 4.002 3.960 0.002 0.000 0.288 357 G C 0.692 175.548 174.900 -0.073 0.000 0.926 357 G CA 0.383 45.425 45.100 -0.097 0.000 1.211 357 G HN 1.234 nan 8.290 nan 0.000 0.496 358 A N 0.446 123.253 122.820 -0.022 0.000 3.012 358 A HA 0.685 5.006 4.320 0.002 0.000 0.295 358 A C 0.458 178.106 177.584 0.107 0.000 1.338 358 A CA -0.084 51.965 52.037 0.020 0.000 0.981 358 A CB 0.223 19.232 19.000 0.015 0.000 1.091 358 A HN 0.436 nan 8.150 nan 0.000 0.602 359 L N -0.730 120.549 121.223 0.094 0.000 2.304 359 L HA 0.409 4.750 4.340 0.002 0.000 0.268 359 L C 1.910 178.887 176.870 0.179 0.000 1.010 359 L CA 0.551 55.498 54.840 0.178 0.000 0.813 359 L CB 1.440 43.636 42.059 0.229 0.000 1.315 359 L HN 0.369 nan 8.230 nan 0.000 0.445 360 S N -0.387 115.487 115.700 0.290 0.000 2.440 360 S HA -0.171 4.300 4.470 0.002 0.000 0.238 360 S C 1.129 175.881 174.600 0.254 0.000 1.010 360 S CA 1.562 59.917 58.200 0.259 0.000 0.972 360 S CB -0.560 62.800 63.200 0.266 0.000 0.774 360 S HN 0.783 nan 8.310 nan 0.000 0.501 361 H N -0.283 118.848 119.070 0.102 0.000 2.784 361 H HA 0.561 5.118 4.556 0.002 0.000 0.273 361 H C 0.218 175.592 175.328 0.076 0.000 1.112 361 H CA -0.644 55.454 56.048 0.084 0.000 1.162 361 H CB -0.405 29.409 29.762 0.087 0.000 1.586 361 H HN 0.361 nan 8.280 nan 0.000 0.548 362 L N 0.758 121.835 121.223 -0.244 0.000 2.279 362 L HA 0.592 4.933 4.340 0.002 0.000 0.262 362 L C -0.684 176.113 176.870 -0.122 0.000 1.019 362 L CA -1.146 53.541 54.840 -0.255 0.000 0.823 362 L CB 2.574 44.418 42.059 -0.359 0.000 1.358 362 L HN -0.028 nan 8.230 nan 0.000 0.432 363 L N 0.450 121.584 121.223 -0.147 0.000 2.376 363 L HA 0.543 4.884 4.340 0.002 0.000 0.258 363 L C -2.522 174.218 176.870 -0.216 0.000 1.013 363 L CA -1.807 52.927 54.840 -0.176 0.000 0.822 363 L CB 2.930 44.870 42.059 -0.198 0.000 1.388 363 L HN 0.260 nan 8.230 nan 0.000 0.413 364 P HA 0.084 nan 4.420 nan 0.000 0.269 364 P C -0.376 176.874 177.300 -0.083 0.000 1.215 364 P CA 0.155 63.175 63.100 -0.133 0.000 0.780 364 P CB 0.611 32.257 31.700 -0.090 0.000 0.898 365 A N 2.400 125.220 122.820 -0.001 0.000 2.610 365 A HA 0.049 4.370 4.320 0.002 0.000 0.299 365 A C 1.275 178.462 177.584 -0.661 0.000 1.487 365 A CA 1.073 52.903 52.037 -0.344 0.000 0.743 365 A CB -2.419 16.529 19.000 -0.087 0.000 1.070 365 A HN 1.126 nan 8.150 nan 0.000 0.439 366 G N -2.026 106.279 108.800 -0.826 0.000 2.141 366 G HA2 -0.236 3.725 3.960 0.002 0.000 0.242 366 G HA3 -0.236 3.725 3.960 0.002 0.000 0.242 366 G C 0.172 174.899 174.900 -0.288 0.000 0.982 366 G CA 0.804 45.607 45.100 -0.495 0.000 0.662 366 G HN 1.193 nan 8.290 nan 0.000 0.527 367 R N 0.087 120.353 120.500 -0.391 0.000 2.549 367 R HA 0.760 5.101 4.340 0.002 0.000 0.267 367 R C 0.186 176.397 176.300 -0.149 0.000 1.045 367 R CA 0.228 56.005 56.100 -0.540 0.000 1.115 367 R CB 1.300 31.247 30.300 -0.588 0.000 1.121 367 R HN 0.644 nan 8.270 nan 0.000 0.543 368 A N 1.849 124.758 122.820 0.148 0.000 2.393 368 A HA 0.320 4.641 4.320 0.002 0.000 0.306 368 A C 0.732 178.395 177.584 0.131 0.000 1.050 368 A CA -0.707 51.421 52.037 0.152 0.000 0.724 368 A CB 0.883 20.017 19.000 0.223 0.000 1.248 368 A HN 0.599 nan 8.150 nan 0.000 0.424 369 I N 1.676 122.289 120.570 0.072 0.000 2.127 369 I HA -0.116 4.055 4.170 0.002 0.000 0.241 369 I C -0.686 175.474 176.117 0.071 0.000 1.075 369 I CA 1.770 63.111 61.300 0.069 0.000 1.334 369 I CB -1.909 36.138 38.000 0.077 0.000 1.040 369 I HN 0.433 nan 8.210 nan 0.000 0.405 370 P HA -0.062 nan 4.420 nan 0.000 0.239 370 P C 0.307 177.622 177.300 0.025 0.000 1.184 370 P CA 0.687 63.820 63.100 0.054 0.000 0.760 370 P CB -0.232 31.506 31.700 0.064 0.000 0.884 371 N N 0.418 119.126 118.700 0.014 0.000 2.439 371 N HA 0.228 4.969 4.740 0.002 0.000 0.249 371 N C 0.990 176.473 175.510 -0.046 0.000 1.003 371 N CA -0.156 52.849 53.050 -0.075 0.000 0.942 371 N CB 1.214 39.548 38.487 -0.254 0.000 1.115 371 N HN -0.189 nan 8.380 nan 0.000 0.505 372 A N 4.754 127.549 122.820 -0.042 0.000 1.902 372 A HA -0.147 4.174 4.320 0.002 0.000 0.217 372 A C 1.936 179.512 177.584 -0.014 0.000 1.181 372 A CA 1.338 53.366 52.037 -0.015 0.000 0.623 372 A CB -0.169 18.824 19.000 -0.012 0.000 0.818 372 A HN 0.676 nan 8.150 nan 0.000 0.443 373 K N -0.358 120.014 120.400 -0.046 0.000 2.020 373 K HA -0.166 4.155 4.320 0.002 0.000 0.212 373 K C 1.929 178.564 176.600 0.058 0.000 1.050 373 K CA 1.900 58.176 56.287 -0.019 0.000 0.929 373 K CB -0.645 31.824 32.500 -0.053 0.000 0.714 373 K HN 0.593 nan 8.250 nan 0.000 0.443 374 H N 0.387 119.435 119.070 -0.036 0.000 2.319 374 H HA -0.065 4.492 4.556 0.002 0.000 0.297 374 H C 2.104 177.379 175.328 -0.089 0.000 1.097 374 H CA 1.613 57.623 56.048 -0.063 0.000 1.285 374 H CB -0.153 29.577 29.762 -0.054 0.000 1.368 374 H HN 0.162 nan 8.280 nan 0.000 0.495 375 R N -0.022 120.518 120.500 0.067 0.000 2.081 375 R HA -0.039 4.302 4.340 0.002 0.000 0.235 375 R C 2.505 178.791 176.300 -0.023 0.000 1.131 375 R CA 1.068 57.169 56.100 0.003 0.000 0.960 375 R CB -0.230 30.082 30.300 0.020 0.000 0.856 375 R HN 0.291 nan 8.270 nan 0.000 0.436 376 A N 1.120 123.937 122.820 -0.005 0.000 1.930 376 A HA -0.187 4.134 4.320 0.002 0.000 0.217 376 A C 1.896 179.459 177.584 -0.034 0.000 1.175 376 A CA 1.265 53.295 52.037 -0.012 0.000 0.627 376 A CB -0.325 18.674 19.000 -0.002 0.000 0.815 376 A HN 0.310 nan 8.150 nan 0.000 0.443 377 E N -0.942 119.236 120.200 -0.037 0.000 2.049 377 E HA -0.225 4.126 4.350 0.002 0.000 0.198 377 E C 2.050 178.559 176.600 -0.153 0.000 1.007 377 E CA 1.607 57.962 56.400 -0.075 0.000 0.809 377 E CB -0.222 29.441 29.700 -0.063 0.000 0.749 377 E HN 0.448 nan 8.360 nan 0.000 0.450 378 M N 0.374 119.839 119.600 -0.226 0.000 2.175 378 M HA -0.129 4.352 4.480 0.002 0.000 0.264 378 M C 1.882 178.018 176.300 -0.272 0.000 1.063 378 M CA 1.465 56.506 55.300 -0.432 0.000 1.119 378 M CB -0.774 31.467 32.600 -0.599 0.000 1.377 378 M HN 0.085 nan 8.290 nan 0.000 0.415 379 E N -0.117 120.026 120.200 -0.095 0.000 2.077 379 E HA -0.179 4.172 4.350 0.002 0.000 0.193 379 E C 2.122 178.740 176.600 0.030 0.000 0.989 379 E CA 1.049 57.461 56.400 0.019 0.000 0.800 379 E CB -0.037 29.677 29.700 0.023 0.000 0.746 379 E HN 0.425 nan 8.360 nan 0.000 0.452 380 K N 0.497 120.891 120.400 -0.010 0.000 2.001 380 K HA -0.183 4.138 4.320 0.002 0.000 0.214 380 K C 2.179 178.790 176.600 0.019 0.000 1.050 380 K CA 1.280 57.565 56.287 -0.003 0.000 0.934 380 K CB -0.215 32.268 32.500 -0.028 0.000 0.718 380 K HN 0.117 nan 8.250 nan 0.000 0.443 381 L N -0.950 120.262 121.223 -0.018 0.000 2.156 381 L HA -0.147 4.194 4.340 0.002 0.000 0.208 381 L C 1.778 178.779 176.870 0.218 0.000 1.095 381 L CA 0.634 55.489 54.840 0.025 0.000 0.770 381 L CB -0.185 41.818 42.059 -0.093 0.000 0.914 381 L HN 0.343 nan 8.230 nan 0.000 0.439 382 W N 0.204 121.520 121.300 0.026 0.000 3.353 382 W HA 0.319 4.980 4.660 0.002 0.000 0.304 382 W C 1.371 177.888 176.519 -0.003 0.000 1.273 382 W CA 0.100 57.458 57.345 0.021 0.000 1.773 382 W CB -1.070 28.390 29.460 -0.000 0.000 1.095 382 W HN 0.223 nan 8.180 nan 0.000 0.676 383 G N 1.711 110.622 108.800 0.186 0.000 2.338 383 G HA2 -0.299 3.662 3.960 0.002 0.000 0.296 383 G HA3 -0.299 3.662 3.960 0.002 0.000 0.296 383 G C -0.131 174.817 174.900 0.081 0.000 1.040 383 G CA -0.002 45.156 45.100 0.096 0.000 1.004 383 G HN 0.193 nan 8.290 nan 0.000 0.509 384 L N 0.516 121.800 121.223 0.102 0.000 2.344 384 L HA 0.542 4.883 4.340 0.002 0.000 0.272 384 L C -1.303 175.599 176.870 0.054 0.000 1.035 384 L CA -2.382 52.509 54.840 0.086 0.000 0.807 384 L CB 1.477 43.616 42.059 0.134 0.000 1.237 384 L HN 0.018 nan 8.230 nan 0.000 0.442 385 P HA 0.015 nan 4.420 nan 0.000 0.272 385 P C -0.636 176.684 177.300 0.034 0.000 1.223 385 P CA -0.384 62.734 63.100 0.030 0.000 0.784 385 P CB 0.561 32.275 31.700 0.023 0.000 0.923 386 E N 0.702 120.917 120.200 0.025 0.000 2.529 386 E HA 0.101 4.452 4.350 0.002 0.000 0.259 386 E C 1.023 177.639 176.600 0.027 0.000 0.966 386 E CA 0.991 57.405 56.400 0.023 0.000 0.937 386 E CB -0.469 29.241 29.700 0.016 0.000 0.923 386 E HN 0.803 nan 8.360 nan 0.000 0.468 387 G N 4.083 112.900 108.800 0.029 0.000 2.148 387 G HA2 -0.362 3.599 3.960 0.002 0.000 0.254 387 G HA3 -0.362 3.599 3.960 0.002 0.000 0.254 387 G C 0.880 175.805 174.900 0.042 0.000 0.981 387 G CA 0.732 45.851 45.100 0.032 0.000 0.670 387 G HN 0.681 nan 8.290 nan 0.000 0.528 388 R N 0.337 120.868 120.500 0.050 0.000 2.092 388 R HA 0.208 4.549 4.340 0.002 0.000 0.231 388 R C 1.449 177.798 176.300 0.081 0.000 1.119 388 R CA 1.045 57.183 56.100 0.064 0.000 0.970 388 R CB -0.217 30.125 30.300 0.069 0.000 0.864 388 R HN 0.497 nan 8.270 nan 0.000 0.440 389 I N 2.299 122.920 120.570 0.085 0.000 2.533 389 I HA 0.114 4.285 4.170 0.002 0.000 0.284 389 I C 0.301 176.462 176.117 0.074 0.000 1.109 389 I CA -0.393 60.964 61.300 0.095 0.000 1.412 389 I CB 1.078 39.128 38.000 0.083 0.000 1.396 389 I HN 0.288 nan 8.210 nan 0.000 0.543 390 A N 9.812 132.681 122.820 0.082 0.000 2.498 390 A HA 0.227 4.548 4.320 0.002 0.000 0.239 390 A C -1.382 176.234 177.584 0.055 0.000 1.068 390 A CA -0.919 51.157 52.037 0.065 0.000 0.766 390 A CB -0.238 18.804 19.000 0.069 0.000 1.003 390 A HN 0.633 nan 8.150 nan 0.000 0.497 391 P HA 0.069 nan 4.420 nan 0.000 0.241 391 P C -0.063 177.261 177.300 0.040 0.000 1.191 391 P CA 0.840 63.963 63.100 0.038 0.000 0.771 391 P CB 0.340 32.058 31.700 0.030 0.000 0.929 392 E N 0.155 120.377 120.200 0.037 0.000 2.256 392 E HA 0.441 4.792 4.350 0.002 0.000 0.267 392 E C -2.666 173.955 176.600 0.034 0.000 0.892 392 E CA -2.628 53.791 56.400 0.032 0.000 0.775 392 E CB 1.092 30.799 29.700 0.012 0.000 1.207 392 E HN -0.062 nan 8.360 nan 0.000 0.420 393 P HA 0.095 nan 4.420 nan 0.000 0.268 393 P C -0.049 177.248 177.300 -0.006 0.000 1.205 393 P CA 0.026 63.171 63.100 0.075 0.000 0.771 393 P CB 0.766 32.541 31.700 0.126 0.000 0.858 394 G N 1.451 110.255 108.800 0.007 0.000 2.489 394 G HA2 0.166 4.127 3.960 0.002 0.000 0.271 394 G HA3 0.166 4.127 3.960 0.002 0.000 0.271 394 G C -0.939 173.889 174.900 -0.121 0.000 1.427 394 G CA -0.487 44.547 45.100 -0.111 0.000 1.057 394 G HN 0.397 nan 8.290 nan 0.000 0.532 395 Y N 0.593 120.915 120.300 0.036 0.000 2.393 395 Y HA 0.265 4.816 4.550 0.002 0.000 0.338 395 Y C 1.151 177.056 175.900 0.009 0.000 1.029 395 Y CA -0.518 57.545 58.100 -0.061 0.000 1.239 395 Y CB 0.144 38.536 38.460 -0.114 0.000 1.170 395 Y HN 0.683 nan 8.280 nan 0.000 0.515 396 H N -0.535 118.660 119.070 0.208 0.000 2.836 396 H HA 0.085 4.642 4.556 0.002 0.000 0.368 396 H C 1.027 176.453 175.328 0.163 0.000 1.164 396 H CA -0.002 56.146 56.048 0.166 0.000 1.425 396 H CB 0.348 30.160 29.762 0.084 0.000 1.414 396 H HN 0.692 nan 8.280 nan 0.000 0.614 397 T N 1.535 116.291 114.554 0.337 0.000 2.624 397 T HA -0.220 4.131 4.350 0.002 0.000 0.268 397 T C 2.147 176.957 174.700 0.183 0.000 1.041 397 T CA 1.865 64.111 62.100 0.244 0.000 1.159 397 T CB -0.308 68.730 68.868 0.283 0.000 0.863 397 T HN 0.467 nan 8.240 nan 0.000 0.434 398 V N 1.461 121.502 119.914 0.212 0.000 2.295 398 V HA -0.176 3.945 4.120 0.002 0.000 0.246 398 V C 2.849 178.945 176.094 0.003 0.000 1.049 398 V CA 1.752 64.112 62.300 0.100 0.000 1.024 398 V CB -1.185 30.698 31.823 0.101 0.000 0.648 398 V HN 0.562 nan 8.190 nan 0.000 0.447 399 A N -0.234 122.480 122.820 -0.177 0.000 1.902 399 A HA -0.200 4.121 4.320 0.002 0.000 0.217 399 A C 2.157 179.559 177.584 -0.303 0.000 1.181 399 A CA 2.039 53.899 52.037 -0.294 0.000 0.623 399 A CB -0.620 18.015 19.000 -0.608 0.000 0.818 399 A HN 0.451 nan 8.150 nan 0.000 0.443 400 L N -1.149 119.925 121.223 -0.249 0.000 2.013 400 L HA -0.140 4.201 4.340 0.002 0.000 0.212 400 L C 2.154 178.705 176.870 -0.532 0.000 1.073 400 L CA 2.091 56.686 54.840 -0.408 0.000 0.753 400 L CB -0.883 41.043 42.059 -0.222 0.000 0.890 400 L HN 0.378 nan 8.230 nan 0.000 0.432 401 F N -0.105 119.655 119.950 -0.316 0.000 2.325 401 F HA -0.085 4.443 4.527 0.002 0.000 0.299 401 F C 2.361 178.012 175.800 -0.248 0.000 1.090 401 F CA 1.154 58.984 58.000 -0.283 0.000 1.392 401 F CB -0.342 38.492 39.000 -0.277 0.000 1.053 401 F HN 0.185 nan 8.300 nan 0.000 0.521 402 E N 0.345 120.486 120.200 -0.098 0.000 2.077 402 E HA -0.202 4.149 4.350 0.002 0.000 0.193 402 E C 2.425 178.890 176.600 -0.225 0.000 0.989 402 E CA 1.090 57.410 56.400 -0.133 0.000 0.800 402 E CB -0.334 29.300 29.700 -0.110 0.000 0.746 402 E HN 0.376 nan 8.360 nan 0.000 0.452 403 A N 1.169 123.741 122.820 -0.413 0.000 1.933 403 A HA -0.162 4.159 4.320 0.002 0.000 0.218 403 A C 2.159 179.490 177.584 -0.422 0.000 1.175 403 A CA 0.922 52.636 52.037 -0.538 0.000 0.628 403 A CB -0.545 17.743 19.000 -1.187 0.000 0.814 403 A HN 0.210 nan 8.150 nan 0.000 0.444 404 L N 0.235 121.204 121.223 -0.423 0.000 1.990 404 L HA -0.136 4.205 4.340 0.002 0.000 0.213 404 L C 2.449 179.177 176.870 -0.236 0.000 1.072 404 L CA 2.497 57.130 54.840 -0.344 0.000 0.755 404 L CB -1.064 40.773 42.059 -0.370 0.000 0.889 404 L HN 0.322 nan 8.230 nan 0.000 0.432 405 G N -1.242 107.481 108.800 -0.128 0.000 2.432 405 G HA2 -0.239 3.722 3.960 0.002 0.000 0.219 405 G HA3 -0.239 3.722 3.960 0.002 0.000 0.219 405 G C 1.676 176.615 174.900 0.066 0.000 1.135 405 G CA 0.627 45.731 45.100 0.008 0.000 0.767 405 G HN 0.421 nan 8.290 nan 0.000 0.550 406 R N -0.164 120.301 120.500 -0.058 0.000 2.299 406 R HA 0.174 4.515 4.340 0.002 0.000 0.197 406 R C 1.913 178.147 176.300 -0.109 0.000 0.971 406 R CA 0.518 56.592 56.100 -0.043 0.000 1.030 406 R CB 0.070 30.325 30.300 -0.074 0.000 0.932 406 R HN 0.404 nan 8.270 nan 0.000 0.477 407 G N 1.259 109.865 108.800 -0.324 0.000 2.179 407 G HA2 -0.274 3.687 3.960 0.002 0.000 0.260 407 G HA3 -0.274 3.687 3.960 0.002 0.000 0.260 407 G C 0.420 175.108 174.900 -0.353 0.000 0.977 407 G CA 0.517 45.295 45.100 -0.536 0.000 0.641 407 G HN 0.293 nan 8.290 nan 0.000 0.533 408 D N -0.184 120.064 120.400 -0.252 0.000 2.117 408 D HA 0.039 4.680 4.640 0.002 0.000 0.198 408 D C 1.467 177.661 176.300 -0.175 0.000 0.982 408 D CA 1.200 55.097 54.000 -0.172 0.000 0.828 408 D CB 0.031 40.772 40.800 -0.097 0.000 0.967 408 D HN 0.366 nan 8.370 nan 0.000 0.464 409 V N 1.619 121.379 119.914 -0.257 0.000 2.364 409 V HA 0.112 4.233 4.120 0.002 0.000 0.272 409 V C 1.115 177.048 176.094 -0.268 0.000 1.036 409 V CA -0.161 62.008 62.300 -0.219 0.000 0.880 409 V CB 1.752 33.415 31.823 -0.268 0.000 0.991 409 V HN -0.044 nan 8.190 nan 0.000 0.460 410 K N 2.461 122.722 120.400 -0.233 0.000 2.276 410 K HA 0.222 4.543 4.320 0.002 0.000 0.198 410 K C 0.189 176.684 176.600 -0.175 0.000 1.052 410 K CA 0.455 56.596 56.287 -0.242 0.000 0.984 410 K CB 0.480 32.819 32.500 -0.268 0.000 0.836 410 K HN 0.600 nan 8.250 nan 0.000 0.490 411 C N 1.008 120.176 119.300 -0.220 0.000 2.563 411 C HA 0.653 5.114 4.460 0.002 0.000 0.314 411 C C -0.624 174.284 174.990 -0.137 0.000 1.199 411 C CA -0.977 57.853 59.018 -0.314 0.000 1.564 411 C CB 0.997 28.121 27.740 -1.026 0.000 2.173 411 C HN 0.376 nan 8.230 nan 0.000 0.485 412 M N 3.301 122.926 119.600 0.042 0.000 2.371 412 M HA 0.649 5.130 4.480 0.002 0.000 0.287 412 M C -1.913 174.544 176.300 0.262 0.000 1.149 412 M CA -0.283 55.109 55.300 0.155 0.000 0.929 412 M CB 1.234 33.790 32.600 -0.072 0.000 1.683 412 M HN 0.666 nan 8.290 nan 0.000 0.470 413 I N 5.470 126.211 120.570 0.285 0.000 2.377 413 I HA 0.451 4.622 4.170 0.002 0.000 0.293 413 I C -0.774 175.238 176.117 -0.174 0.000 0.987 413 I CA -0.663 60.684 61.300 0.078 0.000 1.185 413 I CB 1.545 39.640 38.000 0.159 0.000 1.341 413 I HN 0.617 nan 8.210 nan 0.000 0.455 414 I N 5.774 126.248 120.570 -0.160 0.000 2.362 414 I HA 0.345 4.516 4.170 0.002 0.000 0.289 414 I C -0.682 175.276 176.117 -0.265 0.000 0.994 414 I CA -0.461 60.733 61.300 -0.176 0.000 1.158 414 I CB 1.815 39.844 38.000 0.049 0.000 1.315 414 I HN 0.546 nan 8.210 nan 0.000 0.451 415 C N 5.941 124.979 119.300 -0.437 0.000 2.397 415 C HA 0.318 4.779 4.460 0.002 0.000 0.325 415 C C 0.620 175.532 174.990 -0.130 0.000 1.201 415 C CA -0.162 58.689 59.018 -0.278 0.000 1.377 415 C CB 0.116 27.604 27.740 -0.420 0.000 2.038 415 C HN 1.018 nan 8.230 nan 0.000 0.457 416 E N 3.328 123.538 120.200 0.017 0.000 2.269 416 E HA -0.183 4.168 4.350 0.002 0.000 0.223 416 E C -0.140 176.495 176.600 0.059 0.000 1.244 416 E CA 1.199 57.660 56.400 0.101 0.000 0.713 416 E CB -0.728 29.069 29.700 0.162 0.000 1.178 416 E HN 0.933 nan 8.360 nan 0.000 0.370 417 T N -1.123 113.442 114.554 0.018 0.000 2.843 417 T HA 0.430 4.781 4.350 0.002 0.000 0.302 417 T C -0.510 174.234 174.700 0.074 0.000 1.232 417 T CA -1.025 61.083 62.100 0.015 0.000 1.009 417 T CB 1.457 70.267 68.868 -0.097 0.000 1.254 417 T HN 0.037 nan 8.240 nan 0.000 0.504 418 N N 1.760 120.506 118.700 0.076 0.000 2.813 418 N HA 0.331 5.072 4.740 0.002 0.000 0.282 418 N C -2.010 173.562 175.510 0.103 0.000 1.748 418 N CA -2.307 50.801 53.050 0.097 0.000 0.860 418 N CB 0.901 39.416 38.487 0.047 0.000 1.204 418 N HN 0.251 nan 8.380 nan 0.000 0.490 419 P HA -0.050 nan 4.420 nan 0.000 0.220 419 P C 0.844 178.085 177.300 -0.098 0.000 1.148 419 P CA 0.642 63.722 63.100 -0.034 0.000 0.803 419 P CB 0.259 31.872 31.700 -0.144 0.000 0.782 420 A N -1.597 121.243 122.820 0.033 0.000 2.239 420 A HA -0.132 4.189 4.320 0.002 0.000 0.209 420 A C 1.894 179.625 177.584 0.246 0.000 1.171 420 A CA 1.232 53.337 52.037 0.114 0.000 0.768 420 A CB -1.419 17.704 19.000 0.205 0.000 0.790 420 A HN 0.307 nan 8.150 nan 0.000 0.478 421 H N -2.042 117.063 119.070 0.059 0.000 2.545 421 H HA 0.023 4.580 4.556 0.002 0.000 0.251 421 H C 2.074 177.397 175.328 -0.008 0.000 0.934 421 H CA 1.024 57.110 56.048 0.063 0.000 1.116 421 H CB 0.687 30.500 29.762 0.085 0.000 1.439 421 H HN 0.445 nan 8.280 nan 0.000 0.445 422 T N -0.782 113.859 114.554 0.145 0.000 3.022 422 T HA 0.260 4.611 4.350 0.002 0.000 0.250 422 T C 0.687 175.332 174.700 -0.092 0.000 1.060 422 T CA -0.300 61.778 62.100 -0.036 0.000 1.013 422 T CB 0.032 68.828 68.868 -0.120 0.000 0.982 422 T HN 0.038 nan 8.240 nan 0.000 0.508 423 L N 3.061 124.222 121.223 -0.103 0.000 2.452 423 L HA 0.362 4.703 4.340 0.002 0.000 0.267 423 L C -2.017 174.814 176.870 -0.064 0.000 1.188 423 L CA -2.213 52.547 54.840 -0.134 0.000 0.821 423 L CB 0.594 42.414 42.059 -0.398 0.000 1.102 423 L HN 0.082 nan 8.230 nan 0.000 0.470 424 P HA 0.076 nan 4.420 nan 0.000 0.281 424 P C -0.604 176.611 177.300 -0.143 0.000 1.249 424 P CA -0.311 62.725 63.100 -0.107 0.000 0.810 424 P CB 0.836 32.281 31.700 -0.425 0.000 1.008 425 N N 0.628 119.276 118.700 -0.086 0.000 2.746 425 N HA -0.131 4.610 4.740 0.002 0.000 0.250 425 N C 0.601 175.999 175.510 -0.187 0.000 1.055 425 N CA 0.217 53.196 53.050 -0.118 0.000 0.699 425 N CB -1.424 36.990 38.487 -0.121 0.000 0.919 425 N HN 0.418 nan 8.380 nan 0.000 0.548 426 L N -0.252 120.830 121.223 -0.236 0.000 2.191 426 L HA -0.154 4.187 4.340 0.002 0.000 0.212 426 L C 1.885 178.447 176.870 -0.514 0.000 1.103 426 L CA 1.023 55.585 54.840 -0.464 0.000 0.769 426 L CB -0.272 41.469 42.059 -0.529 0.000 0.908 426 L HN 0.339 nan 8.230 nan 0.000 0.438 427 N N 0.429 118.979 118.700 -0.250 0.000 2.120 427 N HA -0.219 4.522 4.740 0.002 0.000 0.188 427 N C 1.755 177.211 175.510 -0.090 0.000 1.024 427 N CA 1.230 54.210 53.050 -0.116 0.000 0.852 427 N CB -0.171 38.285 38.487 -0.052 0.000 1.003 427 N HN 0.408 nan 8.380 nan 0.000 0.424 428 K N 1.321 121.653 120.400 -0.113 0.000 2.026 428 K HA -0.048 4.273 4.320 0.002 0.000 0.208 428 K C 1.775 178.318 176.600 -0.094 0.000 1.048 428 K CA 1.059 57.295 56.287 -0.085 0.000 0.929 428 K CB -0.043 32.404 32.500 -0.088 0.000 0.713 428 K HN -0.124 nan 8.250 nan 0.000 0.439 429 V N 1.347 121.158 119.914 -0.171 0.000 2.427 429 V HA -0.209 3.912 4.120 0.002 0.000 0.248 429 V C 1.999 178.007 176.094 -0.145 0.000 1.051 429 V CA 1.988 64.174 62.300 -0.189 0.000 1.048 429 V CB -0.747 30.878 31.823 -0.330 0.000 0.666 429 V HN 0.447 nan 8.190 nan 0.000 0.456 430 H N -0.029 118.940 119.070 -0.168 0.000 2.389 430 H HA -0.094 4.463 4.556 0.002 0.000 0.299 430 H C 2.396 177.676 175.328 -0.081 0.000 1.081 430 H CA 1.245 57.174 56.048 -0.198 0.000 1.345 430 H CB 0.107 29.850 29.762 -0.031 0.000 1.393 430 H HN 0.370 nan 8.280 nan 0.000 0.520 431 K N 0.682 121.137 120.400 0.092 0.000 2.032 431 K HA -0.126 4.195 4.320 0.002 0.000 0.209 431 K C 2.528 179.160 176.600 0.053 0.000 1.048 431 K CA 1.014 57.341 56.287 0.067 0.000 0.927 431 K CB -0.198 32.321 32.500 0.032 0.000 0.712 431 K HN 0.213 nan 8.250 nan 0.000 0.441 432 A N 1.401 124.238 122.820 0.029 0.000 1.940 432 A HA -0.135 4.186 4.320 0.002 0.000 0.219 432 A C 2.047 179.662 177.584 0.051 0.000 1.176 432 A CA 1.498 53.558 52.037 0.039 0.000 0.631 432 A CB -0.439 18.577 19.000 0.026 0.000 0.814 432 A HN 0.228 nan 8.150 nan 0.000 0.446 433 M N 0.386 119.990 119.600 0.007 0.000 2.659 433 M HA -0.031 4.450 4.480 0.002 0.000 0.243 433 M C 0.838 177.210 176.300 0.120 0.000 1.111 433 M CA 1.000 56.287 55.300 -0.021 0.000 1.070 433 M CB 0.018 32.437 32.600 -0.303 0.000 1.525 433 M HN 0.515 nan 8.290 nan 0.000 0.517 434 S N -1.940 113.857 115.700 0.163 0.000 2.624 434 S HA 0.137 4.608 4.470 0.002 0.000 0.246 434 S C 0.061 174.743 174.600 0.137 0.000 1.072 434 S CA -0.682 57.643 58.200 0.209 0.000 1.045 434 S CB -0.485 62.860 63.200 0.243 0.000 0.851 434 S HN 0.359 nan 8.310 nan 0.000 0.480 435 H N 3.419 122.514 119.070 0.041 0.000 3.004 435 H HA 0.142 4.699 4.556 0.002 0.000 0.316 435 H C -2.074 173.270 175.328 0.026 0.000 1.014 435 H CA -0.836 55.219 56.048 0.013 0.000 1.454 435 H CB 1.178 30.926 29.762 -0.022 0.000 1.472 435 H HN 0.094 nan 8.280 nan 0.000 0.571 436 P HA -0.079 nan 4.420 nan 0.000 0.231 436 P C 0.416 177.803 177.300 0.146 0.000 1.158 436 P CA 1.004 64.128 63.100 0.040 0.000 0.763 436 P CB 0.418 32.087 31.700 -0.051 0.000 0.805 437 E N -1.483 118.920 120.200 0.338 0.000 2.630 437 E HA 0.095 4.446 4.350 0.002 0.000 0.218 437 E C 0.316 176.997 176.600 0.135 0.000 0.977 437 E CA 0.166 56.707 56.400 0.234 0.000 1.038 437 E CB 0.321 30.157 29.700 0.227 0.000 1.051 437 E HN 0.241 nan 8.360 nan 0.000 0.487 438 S N 0.484 116.274 115.700 0.150 0.000 2.580 438 S HA 0.409 4.880 4.470 0.002 0.000 0.274 438 S C -0.209 174.482 174.600 0.152 0.000 1.329 438 S CA -0.622 57.608 58.200 0.051 0.000 1.036 438 S CB 0.866 64.082 63.200 0.028 0.000 0.919 438 S HN 0.135 nan 8.310 nan 0.000 0.515 439 F N 2.373 122.290 119.950 -0.054 0.000 2.430 439 F HA 0.587 5.115 4.527 0.002 0.000 0.362 439 F C -1.152 174.655 175.800 0.012 0.000 1.103 439 F CA -1.361 56.629 58.000 -0.016 0.000 1.045 439 F CB 0.533 39.509 39.000 -0.040 0.000 1.276 439 F HN 0.545 nan 8.300 nan 0.000 0.444 440 I N 7.198 127.545 120.570 -0.371 0.000 2.355 440 I HA 0.362 4.533 4.170 0.002 0.000 0.288 440 I C -0.882 174.983 176.117 -0.419 0.000 0.999 440 I CA -1.059 60.080 61.300 -0.268 0.000 1.163 440 I CB 1.554 39.513 38.000 -0.069 0.000 1.316 440 I HN 0.182 nan 8.210 nan 0.000 0.454 441 V N 5.547 125.260 119.914 -0.335 0.000 2.394 441 V HA 0.306 4.427 4.120 0.002 0.000 0.282 441 V C -0.137 175.894 176.094 -0.105 0.000 1.031 441 V CA -0.457 61.699 62.300 -0.240 0.000 0.881 441 V CB 1.426 33.166 31.823 -0.139 0.000 0.982 441 V HN 0.788 nan 8.190 nan 0.000 0.451 442 C N 6.304 125.556 119.300 -0.080 0.000 2.322 442 C HA 0.633 5.094 4.460 0.002 0.000 0.324 442 C C 0.134 175.110 174.990 -0.023 0.000 1.284 442 C CA -0.668 58.330 59.018 -0.034 0.000 1.606 442 C CB 0.431 28.170 27.740 -0.002 0.000 2.251 442 C HN 0.747 nan 8.230 nan 0.000 0.502 443 I N 3.574 124.140 120.570 -0.006 0.000 2.330 443 I HA 0.501 4.672 4.170 0.002 0.000 0.289 443 I C -0.318 175.834 176.117 0.057 0.000 1.001 443 I CA 0.258 61.581 61.300 0.038 0.000 1.193 443 I CB 1.061 39.110 38.000 0.081 0.000 1.345 443 I HN 0.589 nan 8.210 nan 0.000 0.461 444 E N 4.965 125.201 120.200 0.060 0.000 2.397 444 E HA 0.508 4.859 4.350 0.002 0.000 0.293 444 E C -0.527 176.089 176.600 0.028 0.000 0.930 444 E CA -0.454 55.993 56.400 0.077 0.000 0.793 444 E CB 1.749 31.493 29.700 0.072 0.000 1.259 444 E HN 0.560 nan 8.360 nan 0.000 0.406 445 A N 3.957 126.786 122.820 0.016 0.000 2.067 445 A HA 0.247 4.568 4.320 0.002 0.000 0.217 445 A C 0.044 177.254 177.584 -0.622 0.000 1.156 445 A CA 0.602 52.459 52.037 -0.300 0.000 0.683 445 A CB -0.093 18.681 19.000 -0.377 0.000 0.808 445 A HN 0.377 nan 8.150 nan 0.000 0.455 446 F N -0.808 119.146 119.950 0.006 0.000 2.507 446 F HA 0.384 4.912 4.527 0.002 0.000 0.328 446 F C -1.681 174.124 175.800 0.008 0.000 1.136 446 F CA -2.155 55.838 58.000 -0.011 0.000 0.930 446 F CB 1.969 40.957 39.000 -0.020 0.000 1.166 446 F HN -0.083 nan 8.300 nan 0.000 0.436 447 P HA -0.177 nan 4.420 nan 0.000 0.221 447 P C 0.645 178.004 177.300 0.098 0.000 1.145 447 P CA 1.481 64.632 63.100 0.086 0.000 0.795 447 P CB 0.166 31.899 31.700 0.056 0.000 0.775 448 D N -0.470 120.010 120.400 0.134 0.000 2.348 448 D HA 0.050 4.691 4.640 0.002 0.000 0.211 448 D C 0.716 177.084 176.300 0.114 0.000 0.998 448 D CA -0.091 53.971 54.000 0.105 0.000 0.873 448 D CB -0.662 40.193 40.800 0.091 0.000 0.925 448 D HN 0.006 nan 8.370 nan 0.000 0.524 449 A N 1.482 124.384 122.820 0.136 0.000 2.563 449 A HA 0.038 4.359 4.320 0.002 0.000 0.256 449 A C 1.526 179.195 177.584 0.141 0.000 1.056 449 A CA -0.146 51.975 52.037 0.139 0.000 0.775 449 A CB 0.384 19.473 19.000 0.148 0.000 0.973 449 A HN 0.093 nan 8.150 nan 0.000 0.516 450 V N 3.450 123.473 119.914 0.182 0.000 2.546 450 V HA -0.204 3.917 4.120 0.002 0.000 0.254 450 V C 2.444 178.664 176.094 0.210 0.000 1.076 450 V CA 2.893 65.300 62.300 0.178 0.000 1.087 450 V CB -0.757 31.206 31.823 0.233 0.000 0.674 450 V HN 1.042 nan 8.190 nan 0.000 0.470 451 T N 0.409 115.105 114.554 0.236 0.000 2.788 451 T HA -0.127 4.224 4.350 0.002 0.000 0.268 451 T C 1.750 176.592 174.700 0.237 0.000 1.044 451 T CA 1.531 63.803 62.100 0.285 0.000 1.139 451 T CB -0.266 68.723 68.868 0.202 0.000 0.867 451 T HN 0.425 nan 8.240 nan 0.000 0.454 452 L N 0.923 122.225 121.223 0.131 0.000 2.351 452 L HA -0.130 4.211 4.340 0.002 0.000 0.220 452 L C 2.394 179.265 176.870 0.001 0.000 1.127 452 L CA 1.270 56.149 54.840 0.064 0.000 0.786 452 L CB -0.716 41.370 42.059 0.044 0.000 0.914 452 L HN 0.423 nan 8.230 nan 0.000 0.443 453 E N -0.788 119.378 120.200 -0.057 0.000 2.338 453 E HA -0.179 4.172 4.350 0.002 0.000 0.197 453 E C 1.205 177.535 176.600 -0.450 0.000 1.007 453 E CA 0.990 57.222 56.400 -0.280 0.000 0.849 453 E CB 0.074 29.516 29.700 -0.430 0.000 0.774 453 E HN 0.581 nan 8.360 nan 0.000 0.506 454 Y N -0.485 119.812 120.300 -0.004 0.000 2.467 454 Y HA 0.331 4.882 4.550 0.002 0.000 0.250 454 Y C 0.716 176.613 175.900 -0.005 0.000 1.155 454 Y CA -0.457 57.645 58.100 0.004 0.000 1.249 454 Y CB 0.642 39.119 38.460 0.028 0.000 1.146 454 Y HN -0.110 nan 8.280 nan 0.000 0.524 455 A N 0.382 123.254 122.820 0.086 0.000 2.354 455 A HA 0.230 4.551 4.320 0.002 0.000 0.269 455 A C 0.515 178.083 177.584 -0.027 0.000 1.109 455 A CA -0.278 51.768 52.037 0.015 0.000 0.800 455 A CB 0.377 19.377 19.000 0.001 0.000 1.045 455 A HN 0.295 nan 8.150 nan 0.000 0.489 456 D N 0.082 120.428 120.400 -0.090 0.000 2.338 456 D HA 0.144 4.785 4.640 0.002 0.000 0.208 456 D C -0.257 176.015 176.300 -0.046 0.000 0.997 456 D CA 0.837 54.806 54.000 -0.051 0.000 0.880 456 D CB 0.434 41.208 40.800 -0.045 0.000 0.980 456 D HN 0.346 nan 8.370 nan 0.000 0.509 457 L N 0.711 121.848 121.223 -0.142 0.000 2.455 457 L HA 0.373 4.714 4.340 0.002 0.000 0.264 457 L C -1.596 175.209 176.870 -0.108 0.000 0.968 457 L CA -0.721 54.065 54.840 -0.089 0.000 0.827 457 L CB 2.464 44.500 42.059 -0.039 0.000 1.317 457 L HN -0.342 nan 8.230 nan 0.000 0.407 458 V N 5.196 125.051 119.914 -0.099 0.000 2.540 458 V HA 0.539 4.660 4.120 0.002 0.000 0.302 458 V C -0.344 175.651 176.094 -0.165 0.000 1.035 458 V CA -0.618 61.621 62.300 -0.101 0.000 0.873 458 V CB 1.647 33.425 31.823 -0.074 0.000 0.992 458 V HN 0.618 nan 8.190 nan 0.000 0.428 459 L N 6.224 127.359 121.223 -0.147 0.000 2.307 459 L HA 0.544 4.885 4.340 0.002 0.000 0.284 459 L C -2.435 174.384 176.870 -0.086 0.000 1.023 459 L CA -1.796 52.902 54.840 -0.236 0.000 0.810 459 L CB 2.337 44.340 42.059 -0.093 0.000 1.231 459 L HN 0.406 nan 8.230 nan 0.000 0.423 460 P HA 0.251 nan 4.420 nan 0.000 0.284 460 P C -2.711 174.724 177.300 0.225 0.000 1.343 460 P CA -1.663 61.472 63.100 0.059 0.000 0.826 460 P CB 0.699 32.424 31.700 0.042 0.000 0.956 461 P HA 0.268 nan 4.420 nan 0.000 0.287 461 P C -0.578 176.817 177.300 0.159 0.000 1.270 461 P CA -0.830 62.383 63.100 0.188 0.000 0.844 461 P CB 1.227 33.030 31.700 0.172 0.000 1.068 462 A N 3.202 126.110 122.820 0.147 0.000 2.492 462 A HA 0.283 4.604 4.320 0.002 0.000 0.254 462 A C -0.341 177.350 177.584 0.178 0.000 1.091 462 A CA -0.148 51.964 52.037 0.125 0.000 0.768 462 A CB -0.898 18.138 19.000 0.061 0.000 1.028 462 A HN 0.547 nan 8.150 nan 0.000 0.498 463 F N 4.662 124.643 119.950 0.052 0.000 2.404 463 F HA 0.487 5.014 4.527 0.002 0.000 0.345 463 F C 0.640 176.557 175.800 0.196 0.000 1.110 463 F CA -0.419 57.652 58.000 0.119 0.000 1.130 463 F CB 0.332 39.390 39.000 0.097 0.000 1.129 463 F HN 0.936 nan 8.300 nan 0.000 0.500 464 W N 4.232 125.010 121.300 -0.871 0.000 2.483 464 W HA -0.474 4.187 4.660 0.002 0.000 0.308 464 W C 1.514 177.747 176.519 -0.477 0.000 1.626 464 W CA 2.986 59.803 57.345 -0.880 0.000 1.628 464 W CB -1.598 26.975 29.460 -1.478 0.000 0.909 464 W HN 0.850 nan 8.180 nan 0.000 0.484 465 C N 0.231 118.981 119.300 -0.916 0.000 2.559 465 C HA 0.449 4.910 4.460 0.002 0.000 0.300 465 C C 1.550 176.270 174.990 -0.451 0.000 1.288 465 C CA 0.425 58.928 59.018 -0.859 0.000 1.699 465 C CB -1.471 25.495 27.740 -1.290 0.000 1.819 465 C HN 0.478 nan 8.230 nan 0.000 0.600 466 E N 1.495 121.533 120.200 -0.269 0.000 2.481 466 E HA 0.013 4.364 4.350 0.002 0.000 0.195 466 E C 1.093 177.622 176.600 -0.118 0.000 1.047 466 E CA 0.366 56.689 56.400 -0.129 0.000 0.867 466 E CB 0.235 29.931 29.700 -0.006 0.000 0.858 466 E HN 0.753 nan 8.360 nan 0.000 0.513 467 R N 1.201 121.605 120.500 -0.160 0.000 2.781 467 R HA 0.170 4.511 4.340 0.002 0.000 0.269 467 R C -1.645 174.539 176.300 -0.193 0.000 1.025 467 R CA -0.794 55.222 56.100 -0.139 0.000 0.914 467 R CB 0.425 30.675 30.300 -0.083 0.000 1.236 467 R HN -0.153 nan 8.270 nan 0.000 0.465 468 D N -0.103 120.196 120.400 -0.168 0.000 2.193 468 D HA 0.687 5.328 4.640 0.002 0.000 0.249 468 D C -0.087 176.094 176.300 -0.197 0.000 1.034 468 D CA -0.434 53.448 54.000 -0.198 0.000 0.902 468 D CB 1.900 42.596 40.800 -0.173 0.000 1.182 468 D HN 0.775 nan 8.370 nan 0.000 0.436 469 G N -0.519 108.132 108.800 -0.250 0.000 2.377 469 G HA2 0.379 4.340 3.960 0.002 0.000 0.297 469 G HA3 0.379 4.340 3.960 0.002 0.000 0.297 469 G C -1.649 173.062 174.900 -0.315 0.000 1.547 469 G CA -0.814 44.136 45.100 -0.250 0.000 0.833 469 G HN 0.431 nan 8.290 nan 0.000 0.583 470 V N 1.237 120.967 119.914 -0.306 0.000 2.481 470 V HA 0.581 4.702 4.120 0.002 0.000 0.286 470 V C -0.823 175.269 176.094 -0.004 0.000 1.042 470 V CA -0.689 61.429 62.300 -0.303 0.000 0.928 470 V CB 1.363 32.790 31.823 -0.660 0.000 0.986 470 V HN 0.587 nan 8.190 nan 0.000 0.462 471 Y N 1.900 122.160 120.300 -0.068 0.000 2.364 471 Y HA 0.668 5.219 4.550 0.002 0.000 0.340 471 Y C 0.600 176.554 175.900 0.090 0.000 0.975 471 Y CA -1.530 56.587 58.100 0.027 0.000 1.089 471 Y CB 2.116 40.615 38.460 0.065 0.000 1.192 471 Y HN 0.673 nan 8.280 nan 0.000 0.454 472 G N 2.920 111.881 108.800 0.268 0.000 2.377 472 G HA2 0.480 4.441 3.960 0.002 0.000 0.316 472 G HA3 0.480 4.441 3.960 0.002 0.000 0.316 472 G C 0.118 175.206 174.900 0.314 0.000 1.115 472 G CA -0.486 44.867 45.100 0.422 0.000 0.952 472 G HN 0.874 nan 8.290 nan 0.000 0.441 473 C N 1.367 120.835 119.300 0.279 0.000 2.590 473 C HA 0.770 5.231 4.460 0.002 0.000 0.354 473 C C 2.233 177.321 174.990 0.164 0.000 1.622 473 C CA 0.100 59.250 59.018 0.220 0.000 2.050 473 C CB 0.858 28.756 27.740 0.264 0.000 1.960 473 C HN 0.707 nan 8.230 nan 0.000 0.550 474 G N -0.005 108.908 108.800 0.188 0.000 2.501 474 G HA2 -0.123 3.838 3.960 0.002 0.000 0.220 474 G HA3 -0.123 3.838 3.960 0.002 0.000 0.220 474 G C 1.171 176.010 174.900 -0.101 0.000 1.114 474 G CA 1.118 46.287 45.100 0.115 0.000 0.757 474 G HN 1.012 nan 8.290 nan 0.000 0.559 475 E N -0.940 119.082 120.200 -0.297 0.000 2.499 475 E HA 0.329 4.680 4.350 0.002 0.000 0.199 475 E C 0.982 177.319 176.600 -0.438 0.000 1.016 475 E CA -0.721 55.384 56.400 -0.492 0.000 0.933 475 E CB 0.017 29.000 29.700 -1.195 0.000 1.050 475 E HN 0.243 nan 8.360 nan 0.000 0.462 476 R N -0.016 120.279 120.500 -0.342 0.000 3.908 476 R HA -0.165 4.176 4.340 0.002 0.000 0.381 476 R C -0.169 175.907 176.300 -0.373 0.000 1.135 476 R CA 0.813 56.612 56.100 -0.503 0.000 0.990 476 R CB -1.919 27.694 30.300 -1.145 0.000 1.557 476 R HN 0.289 nan 8.270 nan 0.000 0.535 477 R N 1.327 121.750 120.500 -0.128 0.000 2.221 477 R HA 0.188 4.529 4.340 0.002 0.000 0.327 477 R C -0.864 175.611 176.300 0.292 0.000 1.033 477 R CA -0.393 55.712 56.100 0.008 0.000 0.887 477 R CB 0.503 30.806 30.300 0.005 0.000 1.057 477 R HN -0.070 nan 8.270 nan 0.000 0.455 478 Y N 2.263 122.651 120.300 0.146 0.000 2.425 478 Y HA 0.258 4.809 4.550 0.002 0.000 0.347 478 Y C -0.095 175.851 175.900 0.078 0.000 0.976 478 Y CA -0.850 57.338 58.100 0.145 0.000 1.190 478 Y CB 1.574 40.144 38.460 0.183 0.000 1.136 478 Y HN 0.474 nan 8.280 nan 0.000 0.517 479 S N 4.359 120.186 115.700 0.212 0.000 2.454 479 S HA 0.485 4.956 4.470 0.002 0.000 0.306 479 S C -0.630 173.952 174.600 -0.030 0.000 1.100 479 S CA -0.708 57.551 58.200 0.099 0.000 1.087 479 S CB 1.778 65.063 63.200 0.141 0.000 1.019 479 S HN 0.526 nan 8.310 nan 0.000 0.480 480 L N 2.953 124.109 121.223 -0.112 0.000 2.418 480 L HA 0.598 4.939 4.340 0.002 0.000 0.265 480 L C -0.158 176.609 176.870 -0.172 0.000 1.143 480 L CA 0.593 55.307 54.840 -0.211 0.000 0.809 480 L CB 1.060 42.966 42.059 -0.254 0.000 1.124 480 L HN 0.586 nan 8.230 nan 0.000 0.456 481 T N 3.271 117.685 114.554 -0.234 0.000 2.812 481 T HA 0.424 4.775 4.350 0.002 0.000 0.282 481 T C -0.658 173.886 174.700 -0.260 0.000 0.990 481 T CA -0.444 61.507 62.100 -0.248 0.000 0.960 481 T CB 0.985 69.656 68.868 -0.329 0.000 0.948 481 T HN 0.644 nan 8.240 nan 0.000 0.438 482 E N 1.638 121.699 120.200 -0.231 0.000 2.283 482 E HA 0.300 4.651 4.350 0.002 0.000 0.271 482 E C -0.096 176.356 176.600 -0.247 0.000 1.031 482 E CA -0.856 55.419 56.400 -0.209 0.000 0.868 482 E CB 1.257 30.864 29.700 -0.155 0.000 1.094 482 E HN 0.383 nan 8.360 nan 0.000 0.401 483 K N 1.153 121.427 120.400 -0.210 0.000 2.436 483 K HA 0.058 4.379 4.320 0.002 0.000 0.282 483 K C 0.004 176.485 176.600 -0.199 0.000 1.044 483 K CA 0.238 56.400 56.287 -0.209 0.000 1.028 483 K CB 0.515 32.923 32.500 -0.153 0.000 0.919 483 K HN 0.594 nan 8.250 nan 0.000 0.474 484 A N 4.353 127.030 122.820 -0.239 0.000 1.963 484 A HA 0.148 4.469 4.320 0.002 0.000 0.207 484 A C 0.239 177.726 177.584 -0.162 0.000 1.243 484 A CA 0.801 52.712 52.037 -0.210 0.000 0.728 484 A CB 0.223 19.060 19.000 -0.272 0.000 0.895 484 A HN 0.563 nan 8.150 nan 0.000 0.467 485 V N -2.781 117.041 119.914 -0.153 0.000 3.130 485 V HA 0.590 4.711 4.120 0.002 0.000 0.310 485 V C -1.655 174.391 176.094 -0.080 0.000 1.158 485 V CA -1.263 60.976 62.300 -0.101 0.000 1.029 485 V CB 1.504 33.279 31.823 -0.080 0.000 1.057 485 V HN 0.101 nan 8.190 nan 0.000 0.436 486 D N 2.080 122.449 120.400 -0.052 0.000 2.344 486 D HA 0.491 5.132 4.640 0.002 0.000 0.244 486 D C -2.531 173.762 176.300 -0.012 0.000 1.134 486 D CA -1.038 52.941 54.000 -0.035 0.000 0.930 486 D CB 1.028 41.813 40.800 -0.026 0.000 1.175 486 D HN 0.569 nan 8.370 nan 0.000 0.437 487 P HA 0.251 nan 4.420 nan 0.000 0.278 487 P C -2.426 174.893 177.300 0.032 0.000 1.238 487 P CA -1.092 62.027 63.100 0.032 0.000 0.794 487 P CB 0.105 31.829 31.700 0.040 0.000 0.955 488 P HA 0.226 nan 4.420 nan 0.000 0.279 488 P C 0.613 177.938 177.300 0.041 0.000 1.252 488 P CA 0.210 63.329 63.100 0.031 0.000 0.811 488 P CB 0.602 32.315 31.700 0.023 0.000 1.035 489 G N 2.298 111.122 108.800 0.039 0.000 2.611 489 G HA2 -0.311 3.650 3.960 0.002 0.000 0.301 489 G HA3 -0.311 3.650 3.960 0.002 0.000 0.301 489 G C 0.251 175.204 174.900 0.087 0.000 1.233 489 G CA 0.264 45.396 45.100 0.054 0.000 0.993 489 G HN 0.605 nan 8.290 nan 0.000 0.553 490 Q N -0.246 119.635 119.800 0.136 0.000 2.201 490 Q HA 0.348 4.689 4.340 0.002 0.000 0.236 490 Q C 0.307 176.518 176.000 0.352 0.000 0.857 490 Q CA -0.463 55.488 55.803 0.246 0.000 1.025 490 Q CB 0.469 29.406 28.738 0.331 0.000 1.124 490 Q HN 0.526 nan 8.270 nan 0.000 0.473 491 C N 1.631 121.058 119.300 0.211 0.000 2.662 491 C HA 0.266 4.727 4.460 0.002 0.000 0.420 491 C C 0.687 175.775 174.990 0.163 0.000 1.314 491 C CA 0.021 59.167 59.018 0.213 0.000 1.963 491 C CB -0.262 27.551 27.740 0.122 0.000 2.686 491 C HN 0.442 nan 8.230 nan 0.000 0.609 492 R N 2.486 123.097 120.500 0.185 0.000 2.673 492 R HA 0.388 4.729 4.340 0.002 0.000 0.281 492 R C -2.928 173.400 176.300 0.046 0.000 0.991 492 R CA -1.556 54.553 56.100 0.014 0.000 0.896 492 R CB 1.644 31.780 30.300 -0.273 0.000 1.201 492 R HN 0.373 nan 8.270 nan 0.000 0.457 493 P HA 0.024 nan 4.420 nan 0.000 0.267 493 P C 0.259 177.587 177.300 0.046 0.000 1.209 493 P CA 0.189 63.301 63.100 0.020 0.000 0.763 493 P CB 0.732 32.423 31.700 -0.015 0.000 0.816 494 T N 1.761 116.372 114.554 0.096 0.000 2.833 494 T HA -0.111 4.240 4.350 0.002 0.000 0.269 494 T C 1.762 176.530 174.700 0.113 0.000 1.054 494 T CA 1.132 63.315 62.100 0.139 0.000 1.135 494 T CB -0.439 68.544 68.868 0.191 0.000 0.869 494 T HN 0.093 nan 8.240 nan 0.000 0.466 495 V N 2.843 122.800 119.914 0.072 0.000 2.250 495 V HA -0.297 3.824 4.120 0.002 0.000 0.253 495 V C 2.414 178.547 176.094 0.065 0.000 1.065 495 V CA 1.866 64.196 62.300 0.051 0.000 1.039 495 V CB -0.582 31.249 31.823 0.014 0.000 0.647 495 V HN 0.560 nan 8.190 nan 0.000 0.446 496 N N -0.313 118.408 118.700 0.035 0.000 2.142 496 N HA -0.131 4.610 4.740 0.002 0.000 0.186 496 N C 1.885 177.404 175.510 0.015 0.000 1.023 496 N CA 1.928 54.983 53.050 0.010 0.000 0.852 496 N CB -0.502 37.956 38.487 -0.049 0.000 0.998 496 N HN 0.487 nan 8.380 nan 0.000 0.424 497 T N 2.120 116.692 114.554 0.031 0.000 2.746 497 T HA -0.055 4.296 4.350 0.002 0.000 0.267 497 T C 1.952 176.771 174.700 0.198 0.000 1.039 497 T CA 0.551 62.714 62.100 0.105 0.000 1.142 497 T CB -0.097 68.896 68.868 0.208 0.000 0.866 497 T HN 0.004 nan 8.240 nan 0.000 0.444 498 L N 0.941 122.275 121.223 0.186 0.000 2.027 498 L HA -0.011 4.330 4.340 0.002 0.000 0.206 498 L C 2.651 179.642 176.870 0.201 0.000 1.074 498 L CA 1.266 56.245 54.840 0.231 0.000 0.745 498 L CB -1.291 40.855 42.059 0.145 0.000 0.898 498 L HN 0.145 nan 8.230 nan 0.000 0.433 499 V N -0.531 119.459 119.914 0.125 0.000 2.343 499 V HA -0.261 3.860 4.120 0.002 0.000 0.247 499 V C 2.590 178.708 176.094 0.039 0.000 1.051 499 V CA 1.719 64.061 62.300 0.069 0.000 1.036 499 V CB -0.477 31.396 31.823 0.084 0.000 0.654 499 V HN 0.395 nan 8.190 nan 0.000 0.451 500 E N 0.177 120.421 120.200 0.074 0.000 2.072 500 E HA -0.210 4.141 4.350 0.002 0.000 0.191 500 E C 1.889 178.562 176.600 0.122 0.000 0.985 500 E CA 1.345 57.785 56.400 0.068 0.000 0.801 500 E CB -0.487 29.244 29.700 0.052 0.000 0.750 500 E HN 0.533 nan 8.360 nan 0.000 0.452 501 F N 0.923 120.901 119.950 0.045 0.000 2.069 501 F HA -0.169 4.359 4.527 0.001 0.000 0.298 501 F C 2.006 177.809 175.800 0.005 0.000 1.113 501 F CA 2.074 60.104 58.000 0.051 0.000 1.214 501 F CB -0.966 38.071 39.000 0.062 0.000 0.978 501 F HN 0.075 nan 8.300 nan 0.000 0.474 502 A N 0.992 123.558 122.820 -0.423 0.000 1.877 502 A HA -0.184 4.137 4.320 0.002 0.000 0.216 502 A C 2.412 179.774 177.584 -0.369 0.000 1.186 502 A CA 1.768 53.439 52.037 -0.611 0.000 0.620 502 A CB -0.824 17.919 19.000 -0.429 0.000 0.822 502 A HN 0.492 nan 8.150 nan 0.000 0.443 503 R N -0.773 119.604 120.500 -0.204 0.000 2.083 503 R HA -0.125 4.216 4.340 0.002 0.000 0.237 503 R C 2.376 178.615 176.300 -0.101 0.000 1.137 503 R CA 1.807 57.827 56.100 -0.132 0.000 0.951 503 R CB -0.302 29.952 30.300 -0.077 0.000 0.851 503 R HN 0.489 nan 8.270 nan 0.000 0.434 504 R N -0.028 120.429 120.500 -0.071 0.000 2.189 504 R HA 0.016 4.357 4.340 0.002 0.000 0.218 504 R C 1.665 177.947 176.300 -0.030 0.000 1.074 504 R CA 0.993 57.084 56.100 -0.015 0.000 0.991 504 R CB 0.048 30.384 30.300 0.061 0.000 0.883 504 R HN 0.148 nan 8.270 nan 0.000 0.457 505 A N 0.208 122.954 122.820 -0.124 0.000 2.302 505 A HA 0.302 4.623 4.320 0.002 0.000 0.219 505 A C 1.282 178.857 177.584 -0.016 0.000 1.243 505 A CA 0.458 52.455 52.037 -0.067 0.000 0.856 505 A CB -0.279 18.624 19.000 -0.162 0.000 0.893 505 A HN 0.385 nan 8.150 nan 0.000 0.491 506 G N -1.063 107.705 108.800 -0.055 0.000 2.155 506 G HA2 -0.235 3.726 3.960 0.002 0.000 0.257 506 G HA3 -0.235 3.726 3.960 0.002 0.000 0.257 506 G C 0.289 175.146 174.900 -0.073 0.000 0.983 506 G CA 0.243 45.317 45.100 -0.043 0.000 0.676 506 G HN 0.822 nan 8.290 nan 0.000 0.528 507 V N 0.711 120.532 119.914 -0.155 0.000 2.673 507 V HA 0.222 4.343 4.120 0.002 0.000 0.303 507 V C 1.057 177.043 176.094 -0.179 0.000 1.046 507 V CA 0.210 62.372 62.300 -0.229 0.000 1.126 507 V CB 1.077 32.634 31.823 -0.443 0.000 0.934 507 V HN 0.479 nan 8.190 nan 0.000 0.487 508 D N 6.863 127.171 120.400 -0.153 0.000 2.520 508 D HA 0.014 4.655 4.640 0.002 0.000 0.243 508 D C -1.081 175.123 176.300 -0.161 0.000 1.160 508 D CA -0.760 53.162 54.000 -0.130 0.000 0.877 508 D CB 1.041 41.777 40.800 -0.107 0.000 1.150 508 D HN 0.341 nan 8.370 nan 0.000 0.494 509 P HA -0.185 nan 4.420 nan 0.000 0.223 509 P C 1.125 178.314 177.300 -0.185 0.000 1.151 509 P CA 0.808 63.815 63.100 -0.155 0.000 0.787 509 P CB 0.067 31.698 31.700 -0.115 0.000 0.788 510 Q N -0.222 119.482 119.800 -0.159 0.000 2.234 510 Q HA -0.146 4.195 4.340 0.002 0.000 0.206 510 Q C 1.609 177.468 176.000 -0.235 0.000 0.980 510 Q CA 1.071 56.774 55.803 -0.168 0.000 0.869 510 Q CB -0.434 28.239 28.738 -0.108 0.000 0.912 510 Q HN 0.079 nan 8.270 nan 0.000 0.436 511 L N 0.587 121.662 121.223 -0.247 0.000 2.240 511 L HA -0.019 4.322 4.340 0.002 0.000 0.211 511 L C 1.555 178.175 176.870 -0.416 0.000 1.106 511 L CA 0.968 55.624 54.840 -0.306 0.000 0.793 511 L CB 0.160 42.044 42.059 -0.292 0.000 0.927 511 L HN 0.372 nan 8.230 nan 0.000 0.446 512 V N -3.080 116.582 119.914 -0.421 0.000 2.759 512 V HA 0.379 4.500 4.120 0.002 0.000 0.342 512 V C 0.471 176.192 176.094 -0.623 0.000 1.228 512 V CA -0.692 61.337 62.300 -0.451 0.000 1.302 512 V CB -0.199 31.521 31.823 -0.172 0.000 1.496 512 V HN 0.210 nan 8.190 nan 0.000 0.628 513 N N 2.381 120.492 118.700 -0.981 0.000 3.254 513 N HA 0.319 5.060 4.740 0.002 0.000 0.308 513 N C -1.098 174.067 175.510 -0.575 0.000 1.281 513 N CA -0.139 52.537 53.050 -0.623 0.000 1.212 513 N CB -0.769 37.454 38.487 -0.441 0.000 1.478 513 N HN 0.693 nan 8.380 nan 0.000 0.548 514 F N -0.445 119.494 119.950 -0.017 0.000 2.536 514 F HA 0.401 4.929 4.527 0.002 0.000 0.322 514 F C 1.276 177.070 175.800 -0.011 0.000 1.144 514 F CA -1.046 56.952 58.000 -0.004 0.000 0.924 514 F CB 1.861 40.864 39.000 0.005 0.000 1.181 514 F HN -0.022 nan 8.300 nan 0.000 0.438 515 R N 1.017 121.620 120.500 0.173 0.000 2.210 515 R HA 0.118 4.459 4.340 0.002 0.000 0.203 515 R C -0.237 176.101 176.300 0.064 0.000 1.010 515 R CA 0.502 56.652 56.100 0.083 0.000 1.008 515 R CB 0.009 30.338 30.300 0.048 0.000 0.923 515 R HN 0.757 nan 8.270 nan 0.000 0.469 516 N N -2.753 115.994 118.700 0.079 0.000 3.106 516 N HA 0.199 4.940 4.740 0.002 0.000 0.253 516 N C -0.277 175.239 175.510 0.009 0.000 1.506 516 N CA -0.256 52.812 53.050 0.029 0.000 0.876 516 N CB 0.406 38.898 38.487 0.008 0.000 1.452 516 N HN -0.159 nan 8.380 nan 0.000 0.542 517 A N -0.723 122.082 122.820 -0.025 0.000 2.067 517 A HA -0.097 4.224 4.320 0.002 0.000 0.219 517 A C 1.721 179.301 177.584 -0.006 0.000 1.158 517 A CA 1.649 53.660 52.037 -0.044 0.000 0.661 517 A CB -0.881 18.081 19.000 -0.064 0.000 0.801 517 A HN 0.813 nan 8.150 nan 0.000 0.452 518 E N 0.008 120.212 120.200 0.007 0.000 2.072 518 E HA -0.197 4.154 4.350 0.002 0.000 0.190 518 E C 1.108 177.775 176.600 0.111 0.000 0.982 518 E CA 1.135 57.569 56.400 0.056 0.000 0.803 518 E CB -0.085 29.627 29.700 0.021 0.000 0.755 518 E HN 0.479 nan 8.360 nan 0.000 0.453 519 D N 0.295 120.752 120.400 0.096 0.000 2.123 519 D HA -0.173 4.468 4.640 0.002 0.000 0.196 519 D C 1.980 178.338 176.300 0.097 0.000 0.992 519 D CA 1.311 55.411 54.000 0.166 0.000 0.833 519 D CB -0.342 40.621 40.800 0.273 0.000 0.954 519 D HN 0.211 nan 8.370 nan 0.000 0.455 520 V N 0.074 119.863 119.914 -0.208 0.000 2.453 520 V HA -0.127 3.994 4.120 0.002 0.000 0.247 520 V C 1.949 177.867 176.094 -0.294 0.000 1.048 520 V CA 1.322 63.212 62.300 -0.683 0.000 1.049 520 V CB -0.451 30.729 31.823 -1.070 0.000 0.672 520 V HN 0.379 nan 8.190 nan 0.000 0.457 521 W N 1.034 122.211 121.300 -0.205 0.000 2.338 521 W HA -0.230 4.431 4.660 0.001 0.000 0.304 521 W C 2.148 178.669 176.519 0.004 0.000 1.212 521 W CA 1.965 59.286 57.345 -0.040 0.000 1.264 521 W CB -0.264 29.185 29.460 -0.019 0.000 1.142 521 W HN 0.415 nan 8.180 nan 0.000 0.512 522 N N 0.579 119.312 118.700 0.055 0.000 2.244 522 N HA -0.191 4.550 4.740 0.002 0.000 0.183 522 N C 1.600 177.119 175.510 0.014 0.000 1.016 522 N CA 1.720 54.760 53.050 -0.017 0.000 0.866 522 N CB -0.644 37.882 38.487 0.065 0.000 0.980 522 N HN 0.470 nan 8.380 nan 0.000 0.430 523 E N 0.083 120.311 120.200 0.046 0.000 2.072 523 E HA -0.140 4.211 4.350 0.002 0.000 0.190 523 E C 1.867 178.530 176.600 0.105 0.000 0.982 523 E CA 0.540 57.035 56.400 0.159 0.000 0.803 523 E CB -0.190 29.726 29.700 0.360 0.000 0.755 523 E HN 0.490 nan 8.360 nan 0.000 0.453 524 W N 1.537 122.578 121.300 -0.431 0.000 2.363 524 W HA -0.171 4.490 4.660 0.002 0.000 0.296 524 W C 2.007 178.264 176.519 -0.437 0.000 1.212 524 W CA 0.619 57.716 57.345 -0.412 0.000 1.260 524 W CB 0.017 29.076 29.460 -0.669 0.000 1.131 524 W HN 0.048 nan 8.180 nan 0.000 0.530 525 R N -0.015 120.096 120.500 -0.648 0.000 2.096 525 R HA -0.263 4.078 4.340 0.002 0.000 0.240 525 R C 2.187 178.289 176.300 -0.330 0.000 1.139 525 R CA 2.193 57.770 56.100 -0.871 0.000 0.952 525 R CB -0.785 29.173 30.300 -0.571 0.000 0.854 525 R HN 0.222 nan 8.270 nan 0.000 0.436 526 M N 0.220 119.842 119.600 0.038 0.000 2.229 526 M HA -0.080 4.401 4.480 0.002 0.000 0.264 526 M C 1.809 178.047 176.300 -0.104 0.000 1.063 526 M CA 1.388 56.704 55.300 0.028 0.000 1.114 526 M CB 0.146 32.824 32.600 0.130 0.000 1.387 526 M HN -0.114 nan 8.290 nan 0.000 0.420 527 V N -0.044 119.865 119.914 -0.008 0.000 2.809 527 V HA -0.140 3.981 4.120 0.002 0.000 0.256 527 V C 2.319 178.358 176.094 -0.091 0.000 1.080 527 V CA 1.684 64.029 62.300 0.074 0.000 1.102 527 V CB -1.059 31.029 31.823 0.441 0.000 0.705 527 V HN 0.755 nan 8.190 nan 0.000 0.475 528 S N -1.106 114.351 115.700 -0.405 0.000 2.486 528 S HA 0.018 4.489 4.470 0.002 0.000 0.220 528 S C 1.095 175.458 174.600 -0.395 0.000 1.011 528 S CA 0.005 57.874 58.200 -0.551 0.000 0.921 528 S CB -0.175 62.290 63.200 -1.224 0.000 0.785 528 S HN 0.530 nan 8.310 nan 0.000 0.517 529 K N 1.454 121.632 120.400 -0.370 0.000 2.472 529 K HA 0.282 4.603 4.320 0.002 0.000 0.280 529 K C 1.092 177.532 176.600 -0.266 0.000 1.028 529 K CA 0.985 57.069 56.287 -0.339 0.000 1.045 529 K CB -0.374 31.823 32.500 -0.504 0.000 0.902 529 K HN 0.521 nan 8.250 nan 0.000 0.478 530 G N 2.537 111.205 108.800 -0.220 0.000 2.162 530 G HA2 -0.292 3.669 3.960 0.002 0.000 0.260 530 G HA3 -0.292 3.669 3.960 0.002 0.000 0.260 530 G C 0.164 174.991 174.900 -0.123 0.000 0.976 530 G CA 0.717 45.717 45.100 -0.167 0.000 0.655 530 G HN 0.812 nan 8.290 nan 0.000 0.533 531 T N -3.062 111.426 114.554 -0.111 0.000 2.936 531 T HA 0.612 4.963 4.350 0.002 0.000 0.282 531 T C 1.637 176.333 174.700 -0.007 0.000 1.003 531 T CA 0.877 62.954 62.100 -0.038 0.000 1.005 531 T CB 1.447 70.306 68.868 -0.015 0.000 1.097 531 T HN 0.889 nan 8.240 nan 0.000 0.532 532 T N -1.781 112.816 114.554 0.070 0.000 3.160 532 T HA 0.034 4.385 4.350 0.002 0.000 0.257 532 T C 0.893 175.582 174.700 -0.019 0.000 1.147 532 T CA 0.407 62.513 62.100 0.009 0.000 1.064 532 T CB -0.875 68.011 68.868 0.030 0.000 0.949 532 T HN 0.704 nan 8.240 nan 0.000 0.526 533 Y N 1.034 121.253 120.300 -0.135 0.000 2.466 533 Y HA 0.245 4.796 4.550 0.002 0.000 0.272 533 Y C 1.125 176.843 175.900 -0.303 0.000 1.169 533 Y CA -1.047 56.791 58.100 -0.436 0.000 1.285 533 Y CB -0.000 38.161 38.460 -0.498 0.000 1.078 533 Y HN 0.187 nan 8.280 nan 0.000 0.523 534 D N 1.516 121.882 120.400 -0.057 0.000 2.662 534 D HA -0.178 4.463 4.640 0.002 0.000 0.237 534 D C -0.023 176.269 176.300 -0.014 0.000 1.154 534 D CA 0.807 54.732 54.000 -0.126 0.000 0.861 534 D CB 0.126 40.862 40.800 -0.105 0.000 1.146 534 D HN 0.425 nan 8.370 nan 0.000 0.518 535 F N 3.225 123.082 119.950 -0.155 0.000 2.815 535 F HA 0.256 4.784 4.527 0.002 0.000 0.323 535 F C 1.251 177.025 175.800 -0.043 0.000 1.151 535 F CA -1.189 56.765 58.000 -0.076 0.000 1.191 535 F CB -0.694 38.255 39.000 -0.085 0.000 1.069 535 F HN 0.388 nan 8.300 nan 0.000 0.514 536 W N 2.248 123.305 121.300 -0.405 0.000 2.321 536 W HA -0.183 4.478 4.660 0.001 0.000 0.285 536 W C 1.426 177.899 176.519 -0.077 0.000 1.213 536 W CA 2.128 59.295 57.345 -0.296 0.000 1.205 536 W CB -0.232 29.075 29.460 -0.255 0.000 1.134 536 W HN 0.363 nan 8.180 nan 0.000 0.549 537 G N 0.260 109.067 108.800 0.012 0.000 2.813 537 G HA2 -0.043 3.918 3.960 0.002 0.000 0.209 537 G HA3 -0.043 3.918 3.960 0.002 0.000 0.209 537 G C 0.799 175.709 174.900 0.017 0.000 1.150 537 G CA -0.290 44.794 45.100 -0.026 0.000 0.785 537 G HN 0.128 nan 8.290 nan 0.000 0.535 538 M N 3.456 123.140 119.600 0.139 0.000 3.213 538 M HA 0.162 4.643 4.480 0.002 0.000 0.275 538 M C 0.536 177.015 176.300 0.298 0.000 1.424 538 M CA -0.264 55.205 55.300 0.281 0.000 1.561 538 M CB -0.150 32.762 32.600 0.521 0.000 1.109 538 M HN 0.101 nan 8.290 nan 0.000 0.552 539 T N -1.822 112.783 114.554 0.086 0.000 2.856 539 T HA 0.213 4.564 4.350 0.002 0.000 0.306 539 T C 1.421 176.186 174.700 0.108 0.000 1.062 539 T CA -0.595 61.538 62.100 0.055 0.000 1.083 539 T CB 1.468 70.304 68.868 -0.053 0.000 0.984 539 T HN 0.496 nan 8.240 nan 0.000 0.542 540 R N 0.590 121.137 120.500 0.079 0.000 2.091 540 R HA -0.109 4.232 4.340 0.002 0.000 0.238 540 R C 2.411 178.687 176.300 -0.039 0.000 1.136 540 R CA 1.742 57.824 56.100 -0.029 0.000 0.959 540 R CB -0.648 29.629 30.300 -0.039 0.000 0.856 540 R HN 0.896 nan 8.270 nan 0.000 0.437 541 E N 0.606 120.794 120.200 -0.020 0.000 2.058 541 E HA -0.213 4.138 4.350 0.002 0.000 0.194 541 E C 2.094 178.685 176.600 -0.016 0.000 0.997 541 E CA 1.206 57.593 56.400 -0.022 0.000 0.801 541 E CB 0.046 29.736 29.700 -0.017 0.000 0.746 541 E HN 0.226 nan 8.360 nan 0.000 0.450 542 R N -0.290 120.210 120.500 -0.001 0.000 2.091 542 R HA -0.145 4.196 4.340 0.002 0.000 0.238 542 R C 2.243 178.548 176.300 0.009 0.000 1.136 542 R CA 0.922 57.029 56.100 0.013 0.000 0.959 542 R CB -0.097 30.225 30.300 0.036 0.000 0.856 542 R HN 0.184 nan 8.270 nan 0.000 0.437 543 L N 0.346 121.566 121.223 -0.005 0.000 2.313 543 L HA -0.026 4.315 4.340 0.002 0.000 0.214 543 L C 2.069 178.902 176.870 -0.062 0.000 1.119 543 L CA 1.358 56.177 54.840 -0.035 0.000 0.809 543 L CB -0.612 41.383 42.059 -0.105 0.000 0.933 543 L HN 0.081 nan 8.230 nan 0.000 0.449 544 R N -0.473 119.990 120.500 -0.062 0.000 2.092 544 R HA -0.113 4.228 4.340 0.002 0.000 0.231 544 R C 2.094 178.371 176.300 -0.037 0.000 1.119 544 R CA 1.083 57.147 56.100 -0.060 0.000 0.970 544 R CB 0.018 30.284 30.300 -0.058 0.000 0.864 544 R HN 0.370 nan 8.270 nan 0.000 0.440 545 K N 0.215 120.600 120.400 -0.024 0.000 2.044 545 K HA 0.002 4.323 4.320 0.002 0.000 0.204 545 K C 0.522 177.116 176.600 -0.010 0.000 1.045 545 K CA 0.542 56.820 56.287 -0.015 0.000 0.951 545 K CB 0.056 32.550 32.500 -0.010 0.000 0.738 545 K HN 0.048 nan 8.250 nan 0.000 0.443 546 E N 1.627 121.826 120.200 -0.001 0.000 2.398 546 E HA 0.040 4.391 4.350 0.002 0.000 0.263 546 E C -0.364 176.242 176.600 0.009 0.000 1.046 546 E CA 0.164 56.570 56.400 0.009 0.000 0.908 546 E CB 1.060 30.776 29.700 0.026 0.000 0.963 546 E HN -0.027 nan 8.360 nan 0.000 0.431 547 S N 1.503 117.214 115.700 0.018 0.000 3.940 547 S HA 0.418 4.889 4.470 0.002 0.000 0.210 547 S C 0.402 175.042 174.600 0.066 0.000 1.419 547 S CA 0.080 58.298 58.200 0.030 0.000 0.912 547 S CB -0.267 62.946 63.200 0.021 0.000 1.489 547 S HN 0.721 nan 8.310 nan 0.000 0.469 548 G N 1.604 110.447 108.800 0.071 0.000 2.716 548 G HA2 -0.133 3.828 3.960 0.002 0.000 0.686 548 G HA3 -0.133 3.828 3.960 0.002 0.000 0.686 548 G C -1.148 173.810 174.900 0.097 0.000 1.337 548 G CA -1.005 44.160 45.100 0.109 0.000 0.829 548 G HN 0.545 nan 8.290 nan 0.000 0.599 549 L N 0.731 122.028 121.223 0.122 0.000 2.371 549 L HA 0.730 5.071 4.340 0.002 0.000 0.262 549 L C 0.316 177.212 176.870 0.044 0.000 1.006 549 L CA -1.130 53.765 54.840 0.093 0.000 0.818 549 L CB 2.312 44.449 42.059 0.130 0.000 1.354 549 L HN 0.573 nan 8.230 nan 0.000 0.415 550 I N 1.967 122.523 120.570 -0.022 0.000 2.362 550 I HA 0.252 4.423 4.170 0.002 0.000 0.289 550 I C -0.503 175.523 176.117 -0.151 0.000 0.994 550 I CA -0.540 60.657 61.300 -0.171 0.000 1.158 550 I CB 1.094 38.962 38.000 -0.220 0.000 1.315 550 I HN 0.562 nan 8.210 nan 0.000 0.451 551 W N 6.450 127.586 121.300 -0.273 0.000 2.283 551 W HA 0.506 5.167 4.660 0.002 0.000 0.341 551 W C -2.906 173.496 176.519 -0.195 0.000 1.206 551 W CA -2.699 54.517 57.345 -0.214 0.000 1.294 551 W CB -0.417 28.874 29.460 -0.281 0.000 1.154 551 W HN 0.185 nan 8.180 nan 0.000 0.613 552 P HA -0.033 nan 4.420 nan 0.000 0.264 552 P C -0.393 176.968 177.300 0.102 0.000 1.183 552 P CA 0.307 63.532 63.100 0.209 0.000 0.763 552 P CB 0.426 32.162 31.700 0.060 0.000 0.807 553 C N 6.830 126.197 119.300 0.113 0.000 3.498 553 C HA 0.321 4.782 4.460 0.002 0.000 0.218 553 C C -1.694 173.331 174.990 0.058 0.000 1.284 553 C CA -1.738 57.356 59.018 0.127 0.000 1.343 553 C CB 0.132 28.016 27.740 0.239 0.000 1.825 553 C HN 0.515 nan 8.230 nan 0.000 0.518 554 P HA 0.056 nan 4.420 nan 0.000 0.241 554 P C 0.295 177.687 177.300 0.153 0.000 1.191 554 P CA 1.038 64.136 63.100 -0.003 0.000 0.771 554 P CB 0.246 31.875 31.700 -0.118 0.000 0.929 555 S N -2.235 113.559 115.700 0.157 0.000 2.671 555 S HA 0.347 4.818 4.470 0.002 0.000 0.277 555 S C 0.736 175.423 174.600 0.144 0.000 1.165 555 S CA -0.724 57.595 58.200 0.198 0.000 0.822 555 S CB 1.464 64.769 63.200 0.175 0.000 1.150 555 S HN -0.226 nan 8.310 nan 0.000 0.479 556 E N 0.394 120.651 120.200 0.095 0.000 2.152 556 E HA -0.098 4.253 4.350 0.002 0.000 0.192 556 E C 0.690 177.331 176.600 0.069 0.000 0.983 556 E CA 1.358 57.790 56.400 0.053 0.000 0.818 556 E CB -0.102 29.608 29.700 0.018 0.000 0.758 556 E HN 0.783 nan 8.360 nan 0.000 0.467 557 D N -0.645 119.805 120.400 0.083 0.000 2.349 557 D HA -0.122 4.519 4.640 0.002 0.000 0.224 557 D C 0.467 176.813 176.300 0.077 0.000 1.029 557 D CA 0.302 54.342 54.000 0.065 0.000 0.879 557 D CB -0.352 40.481 40.800 0.054 0.000 0.906 557 D HN 0.096 nan 8.370 nan 0.000 0.528 558 H N 1.773 120.867 119.070 0.040 0.000 2.767 558 H HA 0.085 4.642 4.556 0.002 0.000 0.316 558 H C -1.386 173.962 175.328 0.033 0.000 1.059 558 H CA -1.238 54.832 56.048 0.038 0.000 1.461 558 H CB 1.760 31.552 29.762 0.050 0.000 1.475 558 H HN -0.079 nan 8.280 nan 0.000 0.531 559 P HA 0.023 nan 4.420 nan 0.000 0.226 559 P C 0.443 177.720 177.300 -0.039 0.000 1.153 559 P CA 1.125 64.126 63.100 -0.164 0.000 0.777 559 P CB 0.631 32.204 31.700 -0.211 0.000 0.794 560 G N -1.366 107.490 108.800 0.093 0.000 2.592 560 G HA2 -0.047 3.914 3.960 0.002 0.000 0.684 560 G HA3 -0.047 3.914 3.960 0.002 0.000 0.684 560 G C -1.163 173.811 174.900 0.123 0.000 1.291 560 G CA -0.658 44.559 45.100 0.195 0.000 0.891 560 G HN 0.132 nan 8.290 nan 0.000 0.544 561 T N 0.728 115.305 114.554 0.039 0.000 2.841 561 T HA 0.657 5.008 4.350 0.002 0.000 0.285 561 T C 1.067 175.680 174.700 -0.145 0.000 0.991 561 T CA 0.279 62.365 62.100 -0.024 0.000 0.966 561 T CB 1.750 70.600 68.868 -0.031 0.000 0.962 561 T HN 0.717 nan 8.240 nan 0.000 0.438 562 S N 2.577 118.206 115.700 -0.119 0.000 2.370 562 S HA 0.271 4.742 4.470 0.002 0.000 0.214 562 S C 0.613 175.107 174.600 -0.177 0.000 1.033 562 S CA 0.156 58.269 58.200 -0.145 0.000 0.941 562 S CB -0.000 63.143 63.200 -0.095 0.000 0.886 562 S HN 0.511 nan 8.310 nan 0.000 0.521 563 L N 2.911 124.055 121.223 -0.132 0.000 2.272 563 L HA 0.404 4.745 4.340 0.002 0.000 0.284 563 L C -0.023 176.729 176.870 -0.195 0.000 1.045 563 L CA -0.323 54.429 54.840 -0.147 0.000 0.842 563 L CB 0.733 42.751 42.059 -0.068 0.000 1.224 563 L HN 0.063 nan 8.230 nan 0.000 0.430 564 R N 2.539 122.814 120.500 -0.376 0.000 2.539 564 R HA 0.195 4.536 4.340 0.002 0.000 0.275 564 R C -0.344 175.648 176.300 -0.514 0.000 1.077 564 R CA -0.194 55.566 56.100 -0.567 0.000 1.097 564 R CB 0.380 30.069 30.300 -1.019 0.000 1.018 564 R HN 0.460 nan 8.270 nan 0.000 0.483 565 Y N -2.225 118.006 120.300 -0.114 0.000 4.936 565 Y HA -0.225 4.326 4.550 0.002 0.000 0.260 565 Y C -0.345 175.502 175.900 -0.089 0.000 0.928 565 Y CA -0.236 57.711 58.100 -0.256 0.000 1.869 565 Y CB -2.173 35.978 38.460 -0.515 0.000 1.344 565 Y HN 0.261 nan 8.280 nan 0.000 0.521 566 V N 1.778 121.770 119.914 0.129 0.000 2.370 566 V HA 0.304 4.425 4.120 0.002 0.000 0.279 566 V C 0.947 177.140 176.094 0.166 0.000 1.029 566 V CA -1.147 61.284 62.300 0.218 0.000 0.870 566 V CB 1.672 33.611 31.823 0.193 0.000 0.984 566 V HN 0.202 nan 8.190 nan 0.000 0.451 567 R N 3.240 123.835 120.500 0.159 0.000 2.480 567 R HA 0.316 4.657 4.340 0.002 0.000 0.303 567 R C 1.271 177.623 176.300 0.087 0.000 0.985 567 R CA 1.301 57.476 56.100 0.124 0.000 1.051 567 R CB -0.083 30.283 30.300 0.110 0.000 0.935 567 R HN 1.172 nan 8.270 nan 0.000 0.410 568 G N 2.773 111.625 108.800 0.086 0.000 2.175 568 G HA2 -0.230 3.731 3.960 0.002 0.000 0.244 568 G HA3 -0.230 3.731 3.960 0.002 0.000 0.244 568 G C 0.514 175.451 174.900 0.061 0.000 0.982 568 G CA 0.306 45.445 45.100 0.065 0.000 0.641 568 G HN 0.625 nan 8.290 nan 0.000 0.527 569 Q N -0.737 119.105 119.800 0.070 0.000 2.459 569 Q HA 0.148 4.489 4.340 0.002 0.000 0.260 569 Q C -0.190 175.847 176.000 0.062 0.000 0.828 569 Q CA 0.262 56.096 55.803 0.053 0.000 0.987 569 Q CB 0.719 29.479 28.738 0.036 0.000 1.216 569 Q HN 0.458 nan 8.270 nan 0.000 0.558 570 D N 2.824 123.266 120.400 0.069 0.000 2.329 570 D HA 0.151 4.792 4.640 0.002 0.000 0.232 570 D C -1.718 174.625 176.300 0.072 0.000 1.088 570 D CA -2.055 51.981 54.000 0.061 0.000 0.835 570 D CB 1.911 42.754 40.800 0.072 0.000 1.078 570 D HN -0.118 nan 8.370 nan 0.000 0.495 571 P HA -0.054 nan 4.420 nan 0.000 0.228 571 P C 1.062 178.332 177.300 -0.051 0.000 1.151 571 P CA 0.326 63.423 63.100 -0.005 0.000 0.770 571 P CB 0.164 31.783 31.700 -0.135 0.000 0.786 572 C N -0.608 118.644 119.300 -0.080 0.000 2.481 572 C HA 0.074 4.535 4.460 0.002 0.000 0.275 572 C C 1.303 176.170 174.990 -0.205 0.000 1.419 572 C CA 0.035 58.899 59.018 -0.256 0.000 1.773 572 C CB -0.848 26.591 27.740 -0.503 0.000 1.862 572 C HN 0.040 nan 8.230 nan 0.000 0.530 573 V N 3.222 123.175 119.914 0.065 0.000 2.408 573 V HA 0.206 4.327 4.120 0.002 0.000 0.267 573 V C -2.116 174.057 176.094 0.132 0.000 1.047 573 V CA -1.265 61.153 62.300 0.196 0.000 0.937 573 V CB 0.228 32.204 31.823 0.255 0.000 0.999 573 V HN 0.202 nan 8.190 nan 0.000 0.472 574 P HA 0.033 nan 4.420 nan 0.000 0.264 574 P C 0.719 178.095 177.300 0.126 0.000 1.183 574 P CA 0.160 63.331 63.100 0.119 0.000 0.763 574 P CB 0.712 32.496 31.700 0.142 0.000 0.807 575 A N 3.310 126.184 122.820 0.089 0.000 2.125 575 A HA -0.154 4.167 4.320 0.002 0.000 0.219 575 A C 1.248 178.876 177.584 0.074 0.000 1.156 575 A CA 1.670 53.753 52.037 0.078 0.000 0.671 575 A CB -0.793 18.241 19.000 0.057 0.000 0.794 575 A HN 0.638 nan 8.150 nan 0.000 0.459 576 D N -1.863 118.584 120.400 0.077 0.000 2.463 576 D HA 0.073 4.714 4.640 0.002 0.000 0.224 576 D C 0.240 176.579 176.300 0.065 0.000 1.174 576 D CA -0.574 53.459 54.000 0.055 0.000 0.829 576 D CB -1.052 39.767 40.800 0.031 0.000 0.993 576 D HN 0.425 nan 8.370 nan 0.000 0.497 577 H N 1.662 120.726 119.070 -0.010 0.000 2.972 577 H HA 0.090 4.647 4.556 0.002 0.000 0.343 577 H C -1.391 173.892 175.328 -0.074 0.000 1.054 577 H CA -0.633 55.378 56.048 -0.061 0.000 1.412 577 H CB 1.157 30.894 29.762 -0.042 0.000 1.385 577 H HN -0.144 nan 8.280 nan 0.000 0.600 578 P HA -0.041 nan 4.420 nan 0.000 0.219 578 P C -0.397 176.737 177.300 -0.276 0.000 1.150 578 P CA 1.045 63.938 63.100 -0.345 0.000 0.814 578 P CB 0.463 31.939 31.700 -0.372 0.000 0.787 579 D N -1.244 118.947 120.400 -0.348 0.000 2.385 579 D HA 0.122 4.763 4.640 0.002 0.000 0.254 579 D C 1.392 177.717 176.300 0.042 0.000 1.053 579 D CA -0.448 53.504 54.000 -0.079 0.000 0.992 579 D CB 1.013 41.837 40.800 0.040 0.000 1.145 579 D HN 0.061 nan 8.370 nan 0.000 0.523 580 R N -0.160 120.299 120.500 -0.069 0.000 2.200 580 R HA 0.051 4.392 4.340 0.002 0.000 0.208 580 R C -0.131 175.931 176.300 -0.397 0.000 1.033 580 R CA 0.632 56.544 56.100 -0.313 0.000 1.000 580 R CB -0.071 29.879 30.300 -0.583 0.000 0.906 580 R HN 0.158 nan 8.270 nan 0.000 0.462 581 F N -0.132 119.874 119.950 0.092 0.000 2.598 581 F HA 0.561 5.089 4.527 0.002 0.000 0.327 581 F C -0.608 175.266 175.800 0.123 0.000 1.057 581 F CA -2.041 55.880 58.000 -0.132 0.000 0.957 581 F CB 1.378 39.989 39.000 -0.649 0.000 1.278 581 F HN -0.217 nan 8.300 nan 0.000 0.484 582 F N 2.361 122.240 119.950 -0.119 0.000 3.152 582 F HA 0.392 4.921 4.527 0.002 0.000 0.367 582 F C -1.811 173.772 175.800 -0.361 0.000 1.272 582 F CA -2.164 55.779 58.000 -0.094 0.000 1.172 582 F CB 0.477 39.332 39.000 -0.241 0.000 1.552 582 F HN 0.281 nan 8.300 nan 0.000 0.616 583 F N 7.357 127.368 119.950 0.103 0.000 2.640 583 F HA 0.152 4.680 4.527 0.002 0.000 0.354 583 F C 0.994 176.489 175.800 -0.508 0.000 1.213 583 F CA -0.515 57.191 58.000 -0.490 0.000 1.314 583 F CB -0.557 38.295 39.000 -0.247 0.000 1.679 583 F HN 0.435 nan 8.300 nan 0.000 0.622 584 Y N -1.308 118.657 120.300 -0.559 0.000 2.651 584 Y HA 0.004 4.555 4.550 0.002 0.000 0.293 584 Y C 1.876 177.634 175.900 -0.236 0.000 1.151 584 Y CA 0.224 57.831 58.100 -0.820 0.000 1.362 584 Y CB -1.483 36.172 38.460 -1.341 0.000 0.973 584 Y HN 0.341 nan 8.280 nan 0.000 0.561 585 G N 0.674 109.432 108.800 -0.070 0.000 2.471 585 G HA2 -0.104 3.857 3.960 0.002 0.000 0.219 585 G HA3 -0.104 3.857 3.960 0.002 0.000 0.219 585 G C 0.799 175.764 174.900 0.108 0.000 1.125 585 G CA 0.184 45.343 45.100 0.098 0.000 0.775 585 G HN 0.114 nan 8.290 nan 0.000 0.548 586 K N -0.017 120.434 120.400 0.085 0.000 2.118 586 K HA 0.318 4.639 4.320 0.002 0.000 0.254 586 K C -1.746 174.947 176.600 0.155 0.000 0.961 586 K CA -2.438 53.914 56.287 0.109 0.000 0.876 586 K CB 1.690 34.234 32.500 0.074 0.000 1.077 586 K HN -0.199 nan 8.250 nan 0.000 0.440 587 P HA -0.159 nan 4.420 nan 0.000 0.218 587 P C 0.214 177.623 177.300 0.182 0.000 1.148 587 P CA 1.362 64.550 63.100 0.146 0.000 0.822 587 P CB 0.244 32.005 31.700 0.103 0.000 0.784 588 D N -2.949 117.555 120.400 0.173 0.000 2.440 588 D HA 0.187 4.828 4.640 0.002 0.000 0.216 588 D C 1.226 177.683 176.300 0.262 0.000 1.150 588 D CA 0.041 54.145 54.000 0.174 0.000 0.832 588 D CB -0.819 40.038 40.800 0.096 0.000 0.992 588 D HN 0.147 nan 8.370 nan 0.000 0.502 589 G N 0.838 109.878 108.800 0.400 0.000 2.168 589 G HA2 -0.347 3.614 3.960 0.002 0.000 0.257 589 G HA3 -0.347 3.614 3.960 0.002 0.000 0.257 589 G C 0.086 175.284 174.900 0.496 0.000 0.997 589 G CA 0.054 45.515 45.100 0.602 0.000 0.708 589 G HN 0.459 nan 8.290 nan 0.000 0.520 590 R N -0.046 120.630 120.500 0.293 0.000 2.514 590 R HA 0.707 5.048 4.340 0.002 0.000 0.301 590 R C 0.536 176.833 176.300 -0.006 0.000 0.962 590 R CA -0.026 56.194 56.100 0.199 0.000 0.882 590 R CB 1.598 31.934 30.300 0.061 0.000 1.143 590 R HN 0.403 nan 8.270 nan 0.000 0.452 591 A N 2.243 124.922 122.820 -0.236 0.000 2.272 591 A HA 0.533 4.854 4.320 0.002 0.000 0.275 591 A C -0.404 176.876 177.584 -0.507 0.000 1.096 591 A CA -0.467 51.215 52.037 -0.592 0.000 0.822 591 A CB 0.887 19.186 19.000 -1.169 0.000 1.088 591 A HN 0.428 nan 8.150 nan 0.000 0.495 592 V N 1.662 121.234 119.914 -0.570 0.000 2.487 592 V HA 0.325 4.446 4.120 0.002 0.000 0.298 592 V C -0.268 175.454 176.094 -0.619 0.000 1.028 592 V CA -0.165 61.774 62.300 -0.602 0.000 0.860 592 V CB 1.271 32.734 31.823 -0.600 0.000 0.991 592 V HN 0.697 nan 8.190 nan 0.000 0.427 593 I N 3.821 123.935 120.570 -0.759 0.000 2.365 593 I HA 0.333 4.504 4.170 0.002 0.000 0.291 593 I C -0.890 174.829 176.117 -0.662 0.000 1.004 593 I CA -0.051 60.858 61.300 -0.651 0.000 1.311 593 I CB 1.242 38.684 38.000 -0.930 0.000 1.401 593 I HN 0.597 nan 8.210 nan 0.000 0.491 594 W N 6.630 127.730 121.300 -0.333 0.000 2.411 594 W HA 0.445 5.106 4.660 0.002 0.000 0.317 594 W C -0.228 176.094 176.519 -0.328 0.000 1.030 594 W CA -0.619 56.546 57.345 -0.299 0.000 1.239 594 W CB 1.214 30.524 29.460 -0.250 0.000 1.304 594 W HN 0.254 nan 8.180 nan 0.000 0.437 595 M N 5.088 124.520 119.600 -0.281 0.000 3.436 595 M HA 0.217 4.698 4.480 0.002 0.000 0.240 595 M C 0.143 176.122 176.300 -0.534 0.000 1.469 595 M CA 0.007 54.854 55.300 -0.756 0.000 1.622 595 M CB -0.580 31.186 32.600 -1.390 0.000 1.098 595 M HN 0.101 nan 8.290 nan 0.000 0.568 596 R N 2.056 122.458 120.500 -0.164 0.000 2.401 596 R HA 0.313 4.654 4.340 0.002 0.000 0.299 596 R C -2.512 173.931 176.300 0.238 0.000 1.064 596 R CA -2.008 53.936 56.100 -0.260 0.000 1.000 596 R CB -0.411 29.534 30.300 -0.592 0.000 0.973 596 R HN 0.208 nan 8.270 nan 0.000 0.438 597 P HA 0.057 nan 4.420 nan 0.000 0.271 597 P C -0.661 176.861 177.300 0.371 0.000 1.220 597 P CA -0.190 63.164 63.100 0.424 0.000 0.768 597 P CB 0.655 32.539 31.700 0.307 0.000 0.848 598 A N 3.725 126.796 122.820 0.418 0.000 2.347 598 A HA 0.328 4.649 4.320 0.002 0.000 0.287 598 A C 0.580 178.295 177.584 0.218 0.000 1.199 598 A CA 0.203 52.403 52.037 0.270 0.000 0.851 598 A CB -0.250 18.899 19.000 0.248 0.000 1.118 598 A HN 0.407 nan 8.150 nan 0.000 0.525 599 K N 1.480 121.977 120.400 0.162 0.000 2.989 599 K HA 0.802 5.123 4.320 0.002 0.000 0.260 599 K C 0.963 177.611 176.600 0.080 0.000 0.982 599 K CA 0.548 56.905 56.287 0.118 0.000 1.553 599 K CB 0.541 33.108 32.500 0.110 0.000 3.152 599 K HN 0.798 nan 8.250 nan 0.000 0.970 600 G N -0.893 107.946 108.800 0.064 0.000 2.896 600 G HA2 0.564 4.525 3.960 0.002 0.000 0.247 600 G HA3 0.564 4.525 3.960 0.002 0.000 0.247 600 G C -1.394 173.535 174.900 0.047 0.000 1.187 600 G CA -0.257 44.876 45.100 0.055 0.000 0.837 600 G HN 0.564 nan 8.290 nan 0.000 0.559 601 A N -0.630 122.239 122.820 0.081 0.000 2.429 601 A HA 0.576 4.897 4.320 0.002 0.000 0.242 601 A C 1.735 179.341 177.584 0.038 0.000 1.088 601 A CA 1.071 53.153 52.037 0.073 0.000 0.784 601 A CB 0.314 19.402 19.000 0.148 0.000 1.038 601 A HN 1.849 nan 8.150 nan 0.000 0.501 602 A N -0.173 122.655 122.820 0.012 0.000 1.970 602 A HA 0.113 4.434 4.320 0.002 0.000 0.216 602 A C 1.007 178.585 177.584 -0.010 0.000 1.170 602 A CA 1.447 53.479 52.037 -0.009 0.000 0.645 602 A CB -0.148 18.834 19.000 -0.031 0.000 0.816 602 A HN 0.821 nan 8.150 nan 0.000 0.447 603 E N 1.047 121.245 120.200 -0.004 0.000 2.149 603 E HA 0.253 4.604 4.350 0.002 0.000 0.255 603 E C -1.089 175.507 176.600 -0.007 0.000 0.888 603 E CA -0.430 55.954 56.400 -0.026 0.000 0.742 603 E CB 0.524 30.186 29.700 -0.063 0.000 1.164 603 E HN 0.321 nan 8.360 nan 0.000 0.422 604 E N 3.800 123.990 120.200 -0.016 0.000 2.277 604 E HA 0.315 4.666 4.350 0.002 0.000 0.274 604 E C -2.289 174.225 176.600 -0.143 0.000 1.022 604 E CA -2.094 54.279 56.400 -0.046 0.000 0.853 604 E CB 1.308 31.012 29.700 0.006 0.000 1.086 604 E HN 0.421 nan 8.360 nan 0.000 0.397 605 P HA -0.018 nan 4.420 nan 0.000 0.268 605 P C -0.623 176.603 177.300 -0.123 0.000 1.208 605 P CA 0.236 63.184 63.100 -0.253 0.000 0.777 605 P CB 0.584 32.005 31.700 -0.465 0.000 0.875 606 D N -0.162 120.211 120.400 -0.045 0.000 2.904 606 D HA 0.382 5.023 4.640 0.002 0.000 0.290 606 D C 0.849 177.133 176.300 -0.027 0.000 1.180 606 D CA -0.609 53.376 54.000 -0.025 0.000 1.065 606 D CB -0.269 40.533 40.800 0.003 0.000 1.386 606 D HN 0.167 nan 8.370 nan 0.000 0.599 607 A N -0.371 122.432 122.820 -0.028 0.000 1.902 607 A HA -0.191 4.130 4.320 0.002 0.000 0.217 607 A C 1.970 179.505 177.584 -0.082 0.000 1.181 607 A CA 2.256 54.266 52.037 -0.046 0.000 0.623 607 A CB -1.015 17.961 19.000 -0.040 0.000 0.818 607 A HN 0.693 nan 8.150 nan 0.000 0.443 608 E N -1.753 118.389 120.200 -0.096 0.000 2.072 608 E HA -0.128 4.223 4.350 0.002 0.000 0.191 608 E C -0.419 175.912 176.600 -0.448 0.000 0.985 608 E CA 0.703 56.952 56.400 -0.252 0.000 0.801 608 E CB -0.048 29.517 29.700 -0.225 0.000 0.750 608 E HN 0.672 nan 8.360 nan 0.000 0.452 609 Y N -0.347 119.910 120.300 -0.072 0.000 2.863 609 Y HA 0.283 4.834 4.550 0.002 0.000 0.348 609 Y C -2.082 173.752 175.900 -0.110 0.000 1.028 609 Y CA -2.232 55.816 58.100 -0.087 0.000 1.213 609 Y CB 1.625 40.028 38.460 -0.095 0.000 1.120 609 Y HN 0.143 nan 8.280 nan 0.000 0.598 610 P HA 0.025 nan 4.420 nan 0.000 0.249 610 P C -0.303 176.951 177.300 -0.076 0.000 1.229 610 P CA 0.860 63.928 63.100 -0.053 0.000 0.788 610 P CB 0.600 32.273 31.700 -0.045 0.000 1.072 611 L N -1.088 120.103 121.223 -0.053 0.000 2.334 611 L HA 0.384 4.725 4.340 0.002 0.000 0.276 611 L C 0.046 176.869 176.870 -0.079 0.000 1.014 611 L CA -1.340 53.482 54.840 -0.031 0.000 0.815 611 L CB 1.000 43.078 42.059 0.032 0.000 1.268 611 L HN -0.155 nan 8.230 nan 0.000 0.428 612 Y N 2.567 122.896 120.300 0.048 0.000 2.425 612 Y HA 0.237 4.788 4.550 0.002 0.000 0.331 612 Y C 0.073 176.004 175.900 0.052 0.000 1.157 612 Y CA -0.057 58.074 58.100 0.051 0.000 1.372 612 Y CB 0.963 39.463 38.460 0.065 0.000 1.253 612 Y HN 0.318 nan 8.280 nan 0.000 0.536 613 L N 3.550 124.893 121.223 0.200 0.000 2.341 613 L HA 0.646 4.987 4.340 0.002 0.000 0.278 613 L C -0.349 176.695 176.870 0.290 0.000 1.005 613 L CA -0.030 54.894 54.840 0.140 0.000 0.818 613 L CB 1.960 43.974 42.059 -0.076 0.000 1.259 613 L HN 0.645 nan 8.230 nan 0.000 0.418 614 T N 2.174 116.913 114.554 0.308 0.000 2.858 614 T HA 0.895 5.246 4.350 0.002 0.000 0.285 614 T C -1.156 173.767 174.700 0.371 0.000 1.052 614 T CA -0.019 62.294 62.100 0.353 0.000 1.009 614 T CB 1.276 70.261 68.868 0.195 0.000 1.241 614 T HN 0.899 nan 8.240 nan 0.000 0.542 615 S N 1.130 116.921 115.700 0.152 0.000 2.541 615 S HA 0.834 5.305 4.470 0.002 0.000 0.271 615 S C -1.142 173.485 174.600 0.044 0.000 1.133 615 S CA -0.989 57.244 58.200 0.055 0.000 0.876 615 S CB 1.600 64.639 63.200 -0.268 0.000 1.105 615 S HN 0.876 nan 8.310 nan 0.000 0.470 616 M N -0.335 119.353 119.600 0.146 0.000 2.773 616 M HA 0.692 5.173 4.480 0.002 0.000 0.270 616 M C -1.258 175.130 176.300 0.146 0.000 1.238 616 M CA -0.834 54.548 55.300 0.136 0.000 0.832 616 M CB 0.754 33.412 32.600 0.096 0.000 1.672 616 M HN 0.400 nan 8.290 nan 0.000 0.480 617 R N 0.540 121.084 120.500 0.073 0.000 2.500 617 R HA 0.858 5.199 4.340 0.002 0.000 0.275 617 R C -1.045 175.251 176.300 -0.005 0.000 1.051 617 R CA -0.761 55.319 56.100 -0.034 0.000 1.088 617 R CB 1.249 31.505 30.300 -0.074 0.000 1.063 617 R HN 0.682 nan 8.270 nan 0.000 0.511 618 V N 2.713 122.612 119.914 -0.024 0.000 2.823 618 V HA 0.257 4.378 4.120 0.002 0.000 0.312 618 V C 1.494 177.537 176.094 -0.086 0.000 1.072 618 V CA -0.607 61.704 62.300 0.019 0.000 0.937 618 V CB 2.194 34.102 31.823 0.141 0.000 1.013 618 V HN 0.759 nan 8.190 nan 0.000 0.430 619 I N 1.323 121.832 120.570 -0.103 0.000 2.493 619 I HA -0.124 4.047 4.170 0.002 0.000 0.254 619 I C 1.602 177.591 176.117 -0.213 0.000 1.160 619 I CA 1.596 62.808 61.300 -0.148 0.000 1.445 619 I CB 0.203 38.125 38.000 -0.129 0.000 1.086 619 I HN 0.756 nan 8.210 nan 0.000 0.433 620 D N -0.815 119.427 120.400 -0.264 0.000 2.305 620 D HA 0.028 4.669 4.640 0.002 0.000 0.206 620 D C 0.317 176.246 176.300 -0.618 0.000 0.974 620 D CA 0.764 54.512 54.000 -0.421 0.000 0.871 620 D CB 0.089 40.617 40.800 -0.455 0.000 0.947 620 D HN 0.375 nan 8.370 nan 0.000 0.516 621 H N -0.535 118.325 119.070 -0.349 0.000 2.505 621 H HA 0.075 4.632 4.556 0.002 0.000 0.338 621 H C -0.481 174.676 175.328 -0.286 0.000 1.057 621 H CA -0.603 55.231 56.048 -0.356 0.000 1.202 621 H CB 1.476 30.919 29.762 -0.531 0.000 1.466 621 H HN 0.125 nan 8.280 nan 0.000 0.499 622 W N 6.137 127.235 121.300 -0.337 0.000 2.358 622 W HA 0.056 4.717 4.660 0.002 0.000 0.307 622 W C 0.068 176.470 176.519 -0.195 0.000 1.203 622 W CA 0.064 57.184 57.345 -0.375 0.000 1.279 622 W CB 0.125 29.337 29.460 -0.413 0.000 1.264 622 W HN 0.831 nan 8.180 nan 0.000 0.474 623 H N 1.416 120.038 119.070 -0.748 0.000 1.452 623 H HA -0.355 4.202 4.556 0.002 0.000 0.090 623 H C 1.942 177.021 175.328 -0.415 0.000 1.042 623 H CA 3.360 59.009 56.048 -0.665 0.000 1.901 623 H CB -1.650 27.705 29.762 -0.678 0.000 2.257 623 H HN 0.490 nan 8.280 nan 0.000 0.961 624 T N -0.604 113.853 114.554 -0.162 0.000 3.148 624 T HA 0.459 4.810 4.350 0.002 0.000 0.253 624 T C 1.297 175.915 174.700 -0.136 0.000 1.134 624 T CA 1.854 63.736 62.100 -0.363 0.000 1.051 624 T CB -0.136 68.352 68.868 -0.633 0.000 0.959 624 T HN 1.276 nan 8.240 nan 0.000 0.525 625 A N 0.739 123.548 122.820 -0.018 0.000 2.899 625 A HA -0.227 4.094 4.320 0.002 0.000 0.257 625 A C 1.792 179.365 177.584 -0.019 0.000 1.335 625 A CA 1.629 53.692 52.037 0.043 0.000 0.924 625 A CB -2.899 16.116 19.000 0.024 0.000 1.105 625 A HN 1.058 nan 8.150 nan 0.000 0.765 626 T N -3.136 111.378 114.554 -0.066 0.000 2.915 626 T HA 0.095 4.446 4.350 0.002 0.000 0.269 626 T C 1.613 175.969 174.700 -0.573 0.000 1.071 626 T CA 1.627 63.604 62.100 -0.204 0.000 1.132 626 T CB -0.264 68.543 68.868 -0.103 0.000 0.878 626 T HN 0.610 nan 8.240 nan 0.000 0.479 627 M N 1.365 120.720 119.600 -0.408 0.000 2.718 627 M HA 0.114 4.595 4.480 0.002 0.000 0.259 627 M C 2.805 179.011 176.300 -0.157 0.000 1.240 627 M CA 1.410 56.448 55.300 -0.436 0.000 1.210 627 M CB -0.304 32.179 32.600 -0.194 0.000 1.281 627 M HN 0.388 nan 8.290 nan 0.000 0.515 628 T N -1.667 112.864 114.554 -0.038 0.000 2.951 628 T HA 0.019 4.370 4.350 0.002 0.000 0.268 628 T C 1.841 176.505 174.700 -0.061 0.000 1.073 628 T CA 1.162 63.216 62.100 -0.076 0.000 1.134 628 T CB -0.969 67.795 68.868 -0.173 0.000 0.884 628 T HN 0.476 nan 8.240 nan 0.000 0.479 629 G N 1.543 110.348 108.800 0.008 0.000 2.625 629 G HA2 -0.062 3.899 3.960 0.002 0.000 0.214 629 G HA3 -0.062 3.899 3.960 0.002 0.000 0.214 629 G C 1.541 176.432 174.900 -0.015 0.000 1.132 629 G CA 0.082 45.206 45.100 0.040 0.000 0.782 629 G HN 0.435 nan 8.290 nan 0.000 0.538 630 K N 0.218 120.580 120.400 -0.062 0.000 2.404 630 K HA 0.145 4.466 4.320 0.002 0.000 0.194 630 K C 0.129 176.714 176.600 -0.026 0.000 1.023 630 K CA 0.024 56.285 56.287 -0.043 0.000 1.094 630 K CB 0.941 33.402 32.500 -0.065 0.000 0.841 630 K HN 0.195 nan 8.250 nan 0.000 0.523 631 V N 3.533 123.422 119.914 -0.042 0.000 2.318 631 V HA 0.111 4.232 4.120 0.002 0.000 0.271 631 V C -1.720 174.343 176.094 -0.051 0.000 1.030 631 V CA -1.506 60.769 62.300 -0.043 0.000 0.844 631 V CB 1.352 33.136 31.823 -0.064 0.000 1.015 631 V HN -0.075 nan 8.190 nan 0.000 0.460 632 P HA -0.212 nan 4.420 nan 0.000 0.216 632 P C 1.465 178.736 177.300 -0.048 0.000 1.154 632 P CA 1.293 64.377 63.100 -0.027 0.000 0.865 632 P CB 0.237 31.929 31.700 -0.014 0.000 0.789 633 E N -0.250 119.916 120.200 -0.057 0.000 2.418 633 E HA -0.074 4.277 4.350 0.002 0.000 0.197 633 E C 1.707 178.236 176.600 -0.118 0.000 1.026 633 E CA 0.729 57.087 56.400 -0.071 0.000 0.862 633 E CB -0.958 28.708 29.700 -0.057 0.000 0.799 633 E HN 0.337 nan 8.360 nan 0.000 0.518 634 L N 0.949 122.073 121.223 -0.165 0.000 2.554 634 L HA -0.038 4.303 4.340 0.002 0.000 0.226 634 L C 1.839 178.498 176.870 -0.352 0.000 1.137 634 L CA 0.440 55.102 54.840 -0.297 0.000 0.863 634 L CB -0.119 41.710 42.059 -0.384 0.000 0.985 634 L HN 0.045 nan 8.230 nan 0.000 0.451 635 Q N -1.095 118.606 119.800 -0.165 0.000 2.282 635 Q HA 0.072 4.413 4.340 0.002 0.000 0.206 635 Q C 1.278 177.254 176.000 -0.038 0.000 0.878 635 Q CA -0.003 55.769 55.803 -0.053 0.000 0.944 635 Q CB 0.092 28.846 28.738 0.026 0.000 1.100 635 Q HN 0.159 nan 8.270 nan 0.000 0.509 636 K N 1.197 121.559 120.400 -0.063 0.000 2.442 636 K HA 0.056 4.377 4.320 0.002 0.000 0.198 636 K C 1.243 177.821 176.600 -0.036 0.000 1.044 636 K CA 0.959 57.222 56.287 -0.041 0.000 0.948 636 K CB 0.215 32.689 32.500 -0.043 0.000 0.762 636 K HN 0.299 nan 8.250 nan 0.000 0.472 637 A N -0.589 122.203 122.820 -0.047 0.000 2.377 637 A HA 0.166 4.487 4.320 0.002 0.000 0.209 637 A C 0.421 177.992 177.584 -0.020 0.000 1.359 637 A CA -0.201 51.811 52.037 -0.042 0.000 1.026 637 A CB 0.520 19.483 19.000 -0.062 0.000 1.224 637 A HN 0.055 nan 8.150 nan 0.000 0.528 638 N N 0.528 119.224 118.700 -0.008 0.000 2.723 638 N HA 0.222 4.963 4.740 0.002 0.000 0.290 638 N C -2.404 173.168 175.510 0.105 0.000 1.882 638 N CA -0.962 52.127 53.050 0.064 0.000 0.851 638 N CB 1.496 39.982 38.487 -0.001 0.000 1.234 638 N HN 0.191 nan 8.380 nan 0.000 0.491 639 P HA 0.016 nan 4.420 nan 0.000 0.222 639 P C 0.468 177.922 177.300 0.257 0.000 1.153 639 P CA 0.743 63.934 63.100 0.152 0.000 0.798 639 P CB 0.680 32.443 31.700 0.104 0.000 0.796 640 I N -5.038 115.748 120.570 0.360 0.000 2.828 640 I HA 0.775 4.946 4.170 0.002 0.000 0.302 640 I C -0.534 175.809 176.117 0.378 0.000 1.101 640 I CA -1.980 59.527 61.300 0.344 0.000 1.031 640 I CB 2.177 40.279 38.000 0.171 0.000 1.231 640 I HN -0.260 nan 8.210 nan 0.000 0.427 641 A N 3.772 126.553 122.820 -0.065 0.000 2.507 641 A HA 0.591 4.912 4.320 0.002 0.000 0.235 641 A C -0.549 177.012 177.584 -0.038 0.000 1.070 641 A CA 0.400 52.223 52.037 -0.357 0.000 0.768 641 A CB -0.217 18.494 19.000 -0.481 0.000 1.011 641 A HN 0.836 nan 8.150 nan 0.000 0.502 642 F N -0.870 119.040 119.950 -0.067 0.000 2.789 642 F HA 0.705 5.233 4.527 0.002 0.000 0.319 642 F C -0.868 174.919 175.800 -0.021 0.000 1.168 642 F CA -1.314 56.669 58.000 -0.027 0.000 0.934 642 F CB 1.265 40.269 39.000 0.007 0.000 1.375 642 F HN 0.528 nan 8.300 nan 0.000 0.480 643 V N 0.862 120.902 119.914 0.210 0.000 2.540 643 V HA 0.463 4.584 4.120 0.002 0.000 0.302 643 V C -0.936 175.327 176.094 0.282 0.000 1.035 643 V CA -0.392 61.997 62.300 0.148 0.000 0.873 643 V CB 1.855 33.709 31.823 0.052 0.000 0.992 643 V HN 0.834 nan 8.190 nan 0.000 0.428 644 E N 6.455 126.824 120.200 0.282 0.000 2.194 644 E HA 0.472 4.823 4.350 0.002 0.000 0.284 644 E C -0.877 175.813 176.600 0.150 0.000 1.035 644 E CA -0.062 56.477 56.400 0.232 0.000 0.836 644 E CB 1.491 31.335 29.700 0.240 0.000 1.070 644 E HN 0.575 nan 8.360 nan 0.000 0.401 645 I N 2.930 123.576 120.570 0.126 0.000 2.465 645 I HA 0.150 4.321 4.170 0.002 0.000 0.291 645 I C -0.009 176.166 176.117 0.095 0.000 1.014 645 I CA -0.996 60.364 61.300 0.099 0.000 1.093 645 I CB 1.824 39.873 38.000 0.080 0.000 1.267 645 I HN 0.466 nan 8.210 nan 0.000 0.431 646 N N 4.159 122.911 118.700 0.087 0.000 2.454 646 N HA -0.064 4.677 4.740 0.002 0.000 0.254 646 N C 1.307 176.857 175.510 0.067 0.000 1.228 646 N CA 0.109 53.205 53.050 0.077 0.000 0.900 646 N CB 0.806 39.338 38.487 0.076 0.000 1.089 646 N HN 0.696 nan 8.380 nan 0.000 0.449 647 E N 1.920 122.156 120.200 0.059 0.000 2.106 647 E HA -0.242 4.109 4.350 0.002 0.000 0.192 647 E C 0.850 177.476 176.600 0.042 0.000 0.984 647 E CA 1.165 57.595 56.400 0.050 0.000 0.806 647 E CB -0.192 29.532 29.700 0.039 0.000 0.750 647 E HN 0.729 nan 8.360 nan 0.000 0.458 648 E N 1.036 121.261 120.200 0.041 0.000 2.077 648 E HA -0.176 4.175 4.350 0.002 0.000 0.193 648 E C 1.773 178.396 176.600 0.037 0.000 0.989 648 E CA 1.441 57.864 56.400 0.037 0.000 0.800 648 E CB 0.045 29.767 29.700 0.038 0.000 0.746 648 E HN 0.267 nan 8.360 nan 0.000 0.452 649 D N 0.220 120.646 120.400 0.043 0.000 2.104 649 D HA -0.162 4.479 4.640 0.002 0.000 0.194 649 D C 1.875 178.196 176.300 0.036 0.000 0.994 649 D CA 1.446 55.471 54.000 0.041 0.000 0.830 649 D CB -0.364 40.466 40.800 0.051 0.000 0.959 649 D HN 0.185 nan 8.370 nan 0.000 0.452 650 A N 0.928 123.773 122.820 0.042 0.000 1.902 650 A HA -0.073 4.248 4.320 0.002 0.000 0.217 650 A C 2.303 179.906 177.584 0.033 0.000 1.181 650 A CA 2.444 54.505 52.037 0.041 0.000 0.623 650 A CB -0.769 18.263 19.000 0.054 0.000 0.818 650 A HN 0.247 nan 8.150 nan 0.000 0.443 651 A N -0.743 122.096 122.820 0.032 0.000 1.898 651 A HA -0.128 4.193 4.320 0.002 0.000 0.216 651 A C 2.265 179.861 177.584 0.020 0.000 1.181 651 A CA 1.484 53.536 52.037 0.025 0.000 0.620 651 A CB -0.473 18.541 19.000 0.024 0.000 0.819 651 A HN 0.497 nan 8.150 nan 0.000 0.442 652 R N -1.536 118.977 120.500 0.021 0.000 2.096 652 R HA -0.107 4.234 4.340 0.002 0.000 0.235 652 R C 1.949 178.256 176.300 0.012 0.000 1.127 652 R CA 1.755 57.865 56.100 0.016 0.000 0.968 652 R CB -0.274 30.037 30.300 0.018 0.000 0.861 652 R HN 0.507 nan 8.270 nan 0.000 0.440 653 T N -2.083 112.480 114.554 0.014 0.000 3.022 653 T HA 0.160 4.511 4.350 0.002 0.000 0.250 653 T C 0.795 175.500 174.700 0.008 0.000 1.060 653 T CA 0.852 62.957 62.100 0.009 0.000 1.013 653 T CB 0.415 69.288 68.868 0.010 0.000 0.982 653 T HN 0.553 nan 8.240 nan 0.000 0.508 654 G N 1.332 110.140 108.800 0.013 0.000 2.141 654 G HA2 -0.181 3.780 3.960 0.002 0.000 0.231 654 G HA3 -0.181 3.780 3.960 0.002 0.000 0.231 654 G C 0.040 174.950 174.900 0.015 0.000 0.984 654 G CA 0.004 45.112 45.100 0.012 0.000 0.660 654 G HN 0.564 nan 8.290 nan 0.000 0.525 655 I N 1.265 121.847 120.570 0.020 0.000 2.371 655 I HA 0.389 4.560 4.170 0.002 0.000 0.290 655 I C 0.637 176.775 176.117 0.036 0.000 1.028 655 I CA -0.291 61.023 61.300 0.023 0.000 1.345 655 I CB 1.282 39.296 38.000 0.023 0.000 1.407 655 I HN 0.170 nan 8.210 nan 0.000 0.501 656 K N 6.313 126.735 120.400 0.036 0.000 2.166 656 K HA 0.296 4.617 4.320 0.002 0.000 0.245 656 K C -0.189 176.456 176.600 0.075 0.000 0.967 656 K CA -0.709 55.613 56.287 0.058 0.000 0.863 656 K CB 1.075 33.602 32.500 0.045 0.000 1.107 656 K HN 0.571 nan 8.250 nan 0.000 0.436 657 H N 0.998 120.074 119.070 0.010 0.000 2.964 657 H HA 0.001 4.558 4.556 0.002 0.000 0.328 657 H C 0.777 176.110 175.328 0.009 0.000 1.030 657 H CA 2.589 58.643 56.048 0.009 0.000 1.445 657 H CB 0.530 30.293 29.762 0.001 0.000 1.449 657 H HN 0.986 nan 8.280 nan 0.000 0.581 658 G N 4.479 113.010 108.800 -0.448 0.000 2.212 658 G HA2 -0.291 3.670 3.960 0.002 0.000 0.266 658 G HA3 -0.291 3.670 3.960 0.002 0.000 0.266 658 G C 0.242 175.082 174.900 -0.100 0.000 0.978 658 G CA 0.383 45.331 45.100 -0.253 0.000 0.632 658 G HN 0.697 nan 8.290 nan 0.000 0.537 659 D N 0.995 121.357 120.400 -0.063 0.000 2.548 659 D HA 0.368 5.009 4.640 0.002 0.000 0.231 659 D C 0.685 176.968 176.300 -0.029 0.000 1.142 659 D CA 0.783 54.766 54.000 -0.028 0.000 0.866 659 D CB 0.703 41.496 40.800 -0.011 0.000 1.190 659 D HN 0.169 nan 8.370 nan 0.000 0.469 660 S N 0.466 116.156 115.700 -0.016 0.000 2.489 660 S HA 0.435 4.906 4.470 0.002 0.000 0.277 660 S C -0.130 174.465 174.600 -0.009 0.000 1.230 660 S CA -0.828 57.365 58.200 -0.011 0.000 1.053 660 S CB 0.682 63.877 63.200 -0.008 0.000 0.955 660 S HN 0.308 nan 8.310 nan 0.000 0.488 661 V N 2.181 122.091 119.914 -0.007 0.000 2.960 661 V HA 0.659 4.780 4.120 0.002 0.000 0.315 661 V C -0.635 175.453 176.094 -0.011 0.000 1.087 661 V CA -1.056 61.240 62.300 -0.007 0.000 0.982 661 V CB 1.556 33.378 31.823 -0.001 0.000 1.039 661 V HN 0.648 nan 8.190 nan 0.000 0.437 662 I N 3.207 123.770 120.570 -0.013 0.000 2.297 662 I HA 0.368 4.539 4.170 0.002 0.000 0.291 662 I C 0.005 176.111 176.117 -0.018 0.000 1.033 662 I CA -0.413 60.876 61.300 -0.017 0.000 1.253 662 I CB 1.151 39.141 38.000 -0.017 0.000 1.396 662 I HN 0.427 nan 8.210 nan 0.000 0.476 663 V N 6.586 126.485 119.914 -0.026 0.000 2.498 663 V HA 0.266 4.387 4.120 0.002 0.000 0.279 663 V C 0.327 176.401 176.094 -0.034 0.000 1.048 663 V CA -0.336 61.945 62.300 -0.032 0.000 0.967 663 V CB 1.442 33.232 31.823 -0.054 0.000 0.988 663 V HN 0.748 nan 8.190 nan 0.000 0.473 664 E N 2.427 122.623 120.200 -0.006 0.000 2.293 664 E HA 0.660 5.011 4.350 0.002 0.000 0.270 664 E C -0.636 176.010 176.600 0.076 0.000 0.879 664 E CA -0.486 55.932 56.400 0.030 0.000 0.756 664 E CB 2.276 32.015 29.700 0.066 0.000 1.208 664 E HN 0.881 nan 8.360 nan 0.000 0.428 665 T N 0.159 114.705 114.554 -0.013 0.000 2.858 665 T HA 0.393 4.744 4.350 0.002 0.000 0.285 665 T C 0.939 175.474 174.700 -0.274 0.000 1.052 665 T CA -0.687 61.291 62.100 -0.204 0.000 1.009 665 T CB 1.344 70.025 68.868 -0.311 0.000 1.241 665 T HN 0.492 nan 8.240 nan 0.000 0.542 666 R N -0.350 119.776 120.500 -0.622 0.000 2.170 666 R HA -0.025 4.316 4.340 0.002 0.000 0.242 666 R C 2.478 178.678 176.300 -0.166 0.000 1.145 666 R CA 1.614 57.486 56.100 -0.381 0.000 0.984 666 R CB -0.137 29.914 30.300 -0.416 0.000 0.869 666 R HN 0.573 nan 8.270 nan 0.000 0.455 667 R N -1.296 119.102 120.500 -0.171 0.000 2.146 667 R HA 0.123 4.464 4.340 0.002 0.000 0.206 667 R C 0.139 176.388 176.300 -0.085 0.000 1.049 667 R CA 0.473 56.502 56.100 -0.117 0.000 1.029 667 R CB 0.398 30.621 30.300 -0.128 0.000 0.949 667 R HN 0.034 nan 8.270 nan 0.000 0.471 668 D N -1.967 118.379 120.400 -0.089 0.000 2.713 668 D HA 0.514 5.155 4.640 0.002 0.000 0.306 668 D C -1.821 174.447 176.300 -0.054 0.000 1.299 668 D CA -0.474 53.489 54.000 -0.061 0.000 0.823 668 D CB 1.919 42.681 40.800 -0.063 0.000 1.353 668 D HN 0.031 nan 8.370 nan 0.000 0.447 669 A N 0.776 123.573 122.820 -0.039 0.000 2.414 669 A HA 0.817 5.138 4.320 0.002 0.000 0.306 669 A C -1.189 176.372 177.584 -0.038 0.000 1.054 669 A CA -0.556 51.462 52.037 -0.032 0.000 0.724 669 A CB 1.566 20.557 19.000 -0.015 0.000 1.267 669 A HN 0.452 nan 8.150 nan 0.000 0.418 670 M N 1.848 121.423 119.600 -0.042 0.000 2.322 670 M HA 0.320 4.801 4.480 0.002 0.000 0.286 670 M C -1.081 175.196 176.300 -0.038 0.000 1.111 670 M CA -0.188 55.085 55.300 -0.044 0.000 0.941 670 M CB 1.926 34.490 32.600 -0.061 0.000 1.671 670 M HN 0.927 nan 8.290 nan 0.000 0.470 671 E N 4.793 124.974 120.200 -0.031 0.000 2.259 671 E HA 0.629 4.980 4.350 0.002 0.000 0.281 671 E C -1.871 174.714 176.600 -0.025 0.000 1.027 671 E CA -0.290 56.096 56.400 -0.024 0.000 0.838 671 E CB 0.995 30.684 29.700 -0.018 0.000 1.066 671 E HN 0.666 nan 8.360 nan 0.000 0.401 672 L N 5.593 126.806 121.223 -0.017 0.000 2.466 672 L HA 0.461 4.802 4.340 0.002 0.000 0.258 672 L C -2.406 174.472 176.870 0.013 0.000 0.973 672 L CA -2.439 52.396 54.840 -0.008 0.000 0.826 672 L CB 2.579 44.624 42.059 -0.023 0.000 1.372 672 L HN 0.577 nan 8.230 nan 0.000 0.409 673 P HA 0.143 nan 4.420 nan 0.000 0.276 673 P C -0.940 176.383 177.300 0.037 0.000 1.235 673 P CA -0.256 62.858 63.100 0.023 0.000 0.772 673 P CB 1.235 32.956 31.700 0.034 0.000 0.871 674 A N 5.150 127.952 122.820 -0.030 0.000 2.309 674 A HA 0.330 4.651 4.320 0.002 0.000 0.290 674 A C 0.374 177.865 177.584 -0.154 0.000 1.206 674 A CA -0.622 51.398 52.037 -0.028 0.000 0.850 674 A CB 0.011 18.999 19.000 -0.020 0.000 1.118 674 A HN 0.435 nan 8.150 nan 0.000 0.523 675 R N 1.974 122.458 120.500 -0.026 0.000 2.221 675 R HA 0.441 4.782 4.340 0.002 0.000 0.327 675 R C -1.070 175.339 176.300 0.181 0.000 1.033 675 R CA -0.383 55.719 56.100 0.004 0.000 0.887 675 R CB 1.398 31.718 30.300 0.033 0.000 1.057 675 R HN 0.462 nan 8.270 nan 0.000 0.455 676 V N 2.643 122.819 119.914 0.436 0.000 2.394 676 V HA 0.441 4.562 4.120 0.002 0.000 0.282 676 V C 0.045 176.229 176.094 0.151 0.000 1.031 676 V CA -0.083 62.370 62.300 0.256 0.000 0.881 676 V CB 1.453 33.410 31.823 0.223 0.000 0.982 676 V HN 0.832 nan 8.190 nan 0.000 0.451 677 S N 1.694 117.448 115.700 0.090 0.000 2.683 677 S HA 0.243 4.714 4.470 0.002 0.000 0.269 677 S C -0.190 174.439 174.600 0.048 0.000 1.165 677 S CA -0.253 57.974 58.200 0.044 0.000 0.840 677 S CB 1.635 64.857 63.200 0.036 0.000 1.169 677 S HN 0.952 nan 8.310 nan 0.000 0.490 678 D N 0.712 121.133 120.400 0.036 0.000 2.339 678 D HA 0.081 4.722 4.640 0.002 0.000 0.217 678 D C 1.472 177.807 176.300 0.058 0.000 1.050 678 D CA 0.225 54.253 54.000 0.047 0.000 0.856 678 D CB -0.350 40.474 40.800 0.039 0.000 0.922 678 D HN 0.159 nan 8.370 nan 0.000 0.518 679 V N 0.671 120.616 119.914 0.052 0.000 2.219 679 V HA -0.240 3.881 4.120 0.002 0.000 0.248 679 V C 1.422 177.564 176.094 0.080 0.000 1.053 679 V CA 1.047 63.378 62.300 0.052 0.000 1.009 679 V CB -0.579 31.276 31.823 0.053 0.000 0.636 679 V HN 0.379 nan 8.190 nan 0.000 0.445 680 C N 2.072 121.427 119.300 0.091 0.000 2.576 680 C HA 0.388 4.849 4.460 0.002 0.000 0.401 680 C C 1.159 176.205 174.990 0.094 0.000 1.314 680 C CA -0.987 58.091 59.018 0.100 0.000 1.855 680 C CB -0.843 26.963 27.740 0.109 0.000 2.537 680 C HN 0.610 nan 8.230 nan 0.000 0.578 681 R N 4.088 124.644 120.500 0.093 0.000 2.756 681 R HA 0.240 4.581 4.340 0.002 0.000 0.264 681 R C -2.716 173.636 176.300 0.087 0.000 1.026 681 R CA -0.550 55.597 56.100 0.078 0.000 1.121 681 R CB -0.550 29.783 30.300 0.056 0.000 0.999 681 R HN 0.353 nan 8.270 nan 0.000 0.449 682 P HA -0.010 nan 4.420 nan 0.000 0.267 682 P C 0.526 177.895 177.300 0.115 0.000 1.201 682 P CA 1.320 64.471 63.100 0.086 0.000 0.775 682 P CB 0.558 32.300 31.700 0.071 0.000 0.854 683 G N 0.014 108.883 108.800 0.116 0.000 2.205 683 G HA2 -0.248 3.713 3.960 0.002 0.000 0.261 683 G HA3 -0.248 3.713 3.960 0.002 0.000 0.261 683 G C -0.278 174.745 174.900 0.205 0.000 0.980 683 G CA 0.173 45.363 45.100 0.150 0.000 0.632 683 G HN 0.596 nan 8.290 nan 0.000 0.533 684 L N 1.462 122.794 121.223 0.182 0.000 2.334 684 L HA 0.895 5.236 4.340 0.002 0.000 0.276 684 L C 0.164 177.120 176.870 0.143 0.000 1.014 684 L CA -1.368 53.588 54.840 0.194 0.000 0.815 684 L CB 1.450 43.606 42.059 0.162 0.000 1.268 684 L HN 0.489 nan 8.230 nan 0.000 0.428 685 I N 1.295 121.950 120.570 0.142 0.000 3.042 685 I HA 1.018 5.189 4.170 0.002 0.000 0.310 685 I C -0.933 175.262 176.117 0.129 0.000 1.117 685 I CA -0.937 60.433 61.300 0.117 0.000 1.003 685 I CB 2.177 40.228 38.000 0.084 0.000 1.228 685 I HN 0.743 nan 8.210 nan 0.000 0.443 686 A N 2.662 125.555 122.820 0.122 0.000 2.520 686 A HA 0.800 5.121 4.320 0.002 0.000 0.298 686 A C -0.972 176.652 177.584 0.067 0.000 1.051 686 A CA -0.528 51.586 52.037 0.128 0.000 0.690 686 A CB 1.803 20.887 19.000 0.140 0.000 1.281 686 A HN 1.369 nan 8.150 nan 0.000 0.402 687 V N -0.208 119.735 119.914 0.048 0.000 2.735 687 V HA 0.914 5.035 4.120 0.002 0.000 0.310 687 V C -2.907 173.098 176.094 -0.148 0.000 1.061 687 V CA -2.254 59.973 62.300 -0.120 0.000 0.913 687 V CB 1.957 33.738 31.823 -0.070 0.000 1.005 687 V HN 0.755 nan 8.190 nan 0.000 0.428 688 P HA 0.427 nan 4.420 nan 0.000 0.279 688 P C -0.394 176.733 177.300 -0.288 0.000 1.276 688 P CA -0.322 62.577 63.100 -0.335 0.000 0.801 688 P CB 1.037 32.417 31.700 -0.534 0.000 1.127 689 F N -2.541 117.222 119.950 -0.312 0.000 2.772 689 F HA 0.347 4.875 4.527 0.002 0.000 0.316 689 F C 1.288 177.023 175.800 -0.109 0.000 1.114 689 F CA -0.743 57.118 58.000 -0.233 0.000 1.191 689 F CB -1.094 37.816 39.000 -0.150 0.000 1.065 689 F HN 0.024 nan 8.300 nan 0.000 0.534 690 F N -0.598 119.149 119.950 -0.338 0.000 2.604 690 F HA 0.184 4.712 4.527 0.002 0.000 0.298 690 F C 0.478 176.219 175.800 -0.098 0.000 1.131 690 F CA -0.172 57.651 58.000 -0.296 0.000 1.457 690 F CB -0.452 38.264 39.000 -0.475 0.000 1.095 690 F HN -0.069 nan 8.300 nan 0.000 0.574 691 D N 3.250 123.443 120.400 -0.345 0.000 2.347 691 D HA 0.169 4.810 4.640 0.002 0.000 0.235 691 D C -1.602 174.675 176.300 -0.039 0.000 1.149 691 D CA -2.805 51.105 54.000 -0.151 0.000 0.850 691 D CB 1.503 42.101 40.800 -0.336 0.000 1.061 691 D HN -0.020 nan 8.370 nan 0.000 0.487 692 P HA -0.062 nan 4.420 nan 0.000 0.229 692 P C 0.739 178.019 177.300 -0.032 0.000 1.160 692 P CA 0.575 63.716 63.100 0.068 0.000 0.777 692 P CB 0.516 32.332 31.700 0.193 0.000 0.814 693 K N -0.391 119.995 120.400 -0.023 0.000 2.432 693 K HA 0.026 4.347 4.320 0.002 0.000 0.196 693 K C 0.477 177.040 176.600 -0.063 0.000 1.038 693 K CA 0.723 56.991 56.287 -0.031 0.000 0.986 693 K CB 0.158 32.651 32.500 -0.012 0.000 0.782 693 K HN -0.038 nan 8.250 nan 0.000 0.485 694 K N 1.369 121.704 120.400 -0.108 0.000 2.752 694 K HA 0.222 4.543 4.320 0.002 0.000 0.199 694 K C -0.939 175.566 176.600 -0.159 0.000 1.069 694 K CA -0.103 56.107 56.287 -0.128 0.000 1.033 694 K CB 1.045 33.448 32.500 -0.162 0.000 1.229 694 K HN 0.018 nan 8.250 nan 0.000 0.572 695 L N 3.236 124.377 121.223 -0.137 0.000 2.384 695 L HA 0.039 4.380 4.340 0.002 0.000 0.258 695 L C 1.786 178.604 176.870 -0.086 0.000 1.266 695 L CA -0.323 54.418 54.840 -0.164 0.000 1.162 695 L CB -0.022 41.960 42.059 -0.128 0.000 1.375 695 L HN 0.233 nan 8.230 nan 0.000 0.420 696 V N -1.364 118.520 119.914 -0.051 0.000 2.867 696 V HA -0.176 3.945 4.120 0.002 0.000 0.260 696 V C 1.806 177.999 176.094 0.164 0.000 1.099 696 V CA 1.318 63.641 62.300 0.038 0.000 1.122 696 V CB -0.542 31.333 31.823 0.088 0.000 0.708 696 V HN 0.708 nan 8.190 nan 0.000 0.490 697 N N 1.119 119.883 118.700 0.107 0.000 2.573 697 N HA -0.060 4.681 4.740 0.002 0.000 0.187 697 N C 1.581 177.113 175.510 0.036 0.000 1.107 697 N CA 0.985 54.115 53.050 0.134 0.000 0.918 697 N CB -0.215 38.276 38.487 0.007 0.000 0.966 697 N HN 0.637 nan 8.380 nan 0.000 0.448 698 K N 0.232 120.614 120.400 -0.029 0.000 2.283 698 K HA 0.018 4.339 4.320 0.002 0.000 0.202 698 K C 1.665 178.218 176.600 -0.079 0.000 1.048 698 K CA 0.579 56.821 56.287 -0.075 0.000 0.948 698 K CB 0.184 32.645 32.500 -0.065 0.000 0.742 698 K HN 0.191 nan 8.250 nan 0.000 0.458 699 L N -0.631 120.538 121.223 -0.089 0.000 2.298 699 L HA 0.109 4.450 4.340 0.002 0.000 0.209 699 L C 0.515 177.197 176.870 -0.314 0.000 1.084 699 L CA -0.075 54.623 54.840 -0.236 0.000 0.816 699 L CB 0.042 41.873 42.059 -0.380 0.000 0.967 699 L HN -0.040 nan 8.230 nan 0.000 0.460 700 F N 0.166 120.061 119.950 -0.091 0.000 2.382 700 F HA 0.229 4.757 4.527 0.002 0.000 0.331 700 F C 0.473 176.197 175.800 -0.127 0.000 1.121 700 F CA -0.584 57.361 58.000 -0.091 0.000 1.183 700 F CB 0.628 39.599 39.000 -0.049 0.000 1.207 700 F HN -0.225 nan 8.300 nan 0.000 0.555 701 L N 1.453 122.717 121.223 0.069 0.000 2.479 701 L HA 0.213 4.554 4.340 0.002 0.000 0.249 701 L C 0.763 177.585 176.870 -0.080 0.000 1.178 701 L CA 0.363 55.182 54.840 -0.035 0.000 0.811 701 L CB 0.505 42.529 42.059 -0.058 0.000 1.187 701 L HN 0.613 nan 8.230 nan 0.000 0.480 702 D N 0.282 120.612 120.400 -0.117 0.000 2.407 702 D HA 0.249 4.890 4.640 0.002 0.000 0.208 702 D C 0.059 176.264 176.300 -0.159 0.000 1.083 702 D CA 0.300 54.205 54.000 -0.158 0.000 0.844 702 D CB 0.395 41.126 40.800 -0.116 0.000 0.967 702 D HN 0.637 nan 8.370 nan 0.000 0.506 703 A N 0.483 123.225 122.820 -0.129 0.000 2.498 703 A HA 0.445 4.766 4.320 0.002 0.000 0.239 703 A C 0.659 178.162 177.584 -0.136 0.000 1.068 703 A CA 0.288 52.260 52.037 -0.108 0.000 0.766 703 A CB 0.044 18.995 19.000 -0.082 0.000 1.003 703 A HN 0.242 nan 8.150 nan 0.000 0.497 704 T N -0.217 114.265 114.554 -0.121 0.000 2.908 704 T HA 0.473 4.824 4.350 0.002 0.000 0.290 704 T C -0.425 174.186 174.700 -0.147 0.000 1.034 704 T CA -0.760 61.254 62.100 -0.144 0.000 1.010 704 T CB 1.404 70.183 68.868 -0.150 0.000 1.068 704 T HN 0.648 nan 8.240 nan 0.000 0.481 705 D N 1.849 122.149 120.400 -0.166 0.000 2.458 705 D HA 0.107 4.748 4.640 0.002 0.000 0.243 705 D C -1.490 174.686 176.300 -0.206 0.000 1.146 705 D CA -1.537 52.345 54.000 -0.196 0.000 0.877 705 D CB 1.476 42.159 40.800 -0.195 0.000 1.176 705 D HN 0.227 nan 8.370 nan 0.000 0.461 706 P HA -0.059 nan 4.420 nan 0.000 0.225 706 P C 1.394 178.588 177.300 -0.176 0.000 1.156 706 P CA 0.251 63.248 63.100 -0.171 0.000 0.787 706 P CB 0.428 32.043 31.700 -0.141 0.000 0.802 707 V N 0.141 119.933 119.914 -0.204 0.000 2.374 707 V HA -0.114 4.007 4.120 0.002 0.000 0.241 707 V C 2.458 178.449 176.094 -0.173 0.000 1.034 707 V CA 2.359 64.558 62.300 -0.168 0.000 1.037 707 V CB -1.272 30.451 31.823 -0.166 0.000 0.682 707 V HN 0.241 nan 8.190 nan 0.000 0.463 708 S N -1.252 114.346 115.700 -0.170 0.000 2.486 708 S HA -0.018 4.453 4.470 0.002 0.000 0.220 708 S C 1.211 175.693 174.600 -0.197 0.000 1.011 708 S CA -0.017 58.101 58.200 -0.137 0.000 0.921 708 S CB 0.069 63.230 63.200 -0.066 0.000 0.785 708 S HN 0.418 nan 8.310 nan 0.000 0.517 709 R N 0.761 121.108 120.500 -0.256 0.000 3.951 709 R HA -0.133 4.208 4.340 0.002 0.000 0.352 709 R C -0.252 175.926 176.300 -0.202 0.000 1.178 709 R CA 1.073 56.961 56.100 -0.354 0.000 0.949 709 R CB -2.620 27.202 30.300 -0.796 0.000 1.452 709 R HN 0.852 nan 8.270 nan 0.000 0.540 710 E N 1.950 122.073 120.200 -0.130 0.000 2.344 710 E HA 0.220 4.571 4.350 0.002 0.000 0.270 710 E C -2.173 174.343 176.600 -0.140 0.000 1.021 710 E CA -1.796 54.556 56.400 -0.079 0.000 0.887 710 E CB 0.815 30.499 29.700 -0.026 0.000 0.997 710 E HN -0.049 nan 8.360 nan 0.000 0.429 711 P HA 0.047 nan 4.420 nan 0.000 0.274 711 P C -1.062 176.023 177.300 -0.358 0.000 1.231 711 P CA -0.042 62.819 63.100 -0.398 0.000 0.790 711 P CB 0.543 31.762 31.700 -0.802 0.000 0.951 712 E N 1.147 121.173 120.200 -0.291 0.000 2.201 712 E HA 0.083 4.434 4.350 0.002 0.000 0.272 712 E C 0.040 176.564 176.600 -0.128 0.000 1.228 712 E CA -0.128 56.182 56.400 -0.149 0.000 1.305 712 E CB -0.545 29.109 29.700 -0.077 0.000 1.381 712 E HN 0.434 nan 8.360 nan 0.000 0.475 713 Y N 0.818 121.004 120.300 -0.191 0.000 2.333 713 Y HA -0.176 4.375 4.550 0.002 0.000 0.290 713 Y C 2.086 177.749 175.900 -0.396 0.000 1.144 713 Y CA 0.587 58.433 58.100 -0.423 0.000 1.228 713 Y CB 0.249 38.403 38.460 -0.509 0.000 0.985 713 Y HN 0.196 nan 8.280 nan 0.000 0.542 714 K N 0.365 120.770 120.400 0.008 0.000 2.296 714 K HA 0.110 4.431 4.320 0.002 0.000 0.200 714 K C 0.067 176.751 176.600 0.141 0.000 1.048 714 K CA 0.815 57.126 56.287 0.040 0.000 0.966 714 K CB 0.113 32.637 32.500 0.040 0.000 0.754 714 K HN 0.321 nan 8.250 nan 0.000 0.466 715 I N 0.353 121.029 120.570 0.176 0.000 2.571 715 I HA 0.215 4.386 4.170 0.002 0.000 0.289 715 I C -0.250 176.012 176.117 0.243 0.000 1.115 715 I CA -1.053 60.389 61.300 0.235 0.000 1.045 715 I CB 1.980 40.089 38.000 0.182 0.000 1.238 715 I HN -0.050 nan 8.210 nan 0.000 0.424 716 C N 2.872 122.311 119.300 0.232 0.000 3.336 716 C HA 0.958 5.419 4.460 0.002 0.000 0.339 716 C C -0.346 174.646 174.990 0.003 0.000 1.468 716 C CA -0.725 58.338 59.018 0.075 0.000 1.287 716 C CB 1.334 29.072 27.740 -0.003 0.000 1.682 716 C HN 0.941 nan 8.230 nan 0.000 0.451 717 A N 0.787 123.545 122.820 -0.104 0.000 2.274 717 A HA 0.885 5.206 4.320 0.002 0.000 0.309 717 A C 0.081 177.597 177.584 -0.113 0.000 1.226 717 A CA 0.440 52.404 52.037 -0.123 0.000 0.853 717 A CB 0.183 19.108 19.000 -0.125 0.000 1.146 717 A HN 2.430 nan 8.150 nan 0.000 0.518 718 A N 2.881 125.696 122.820 -0.009 0.000 2.527 718 A HA 0.876 5.197 4.320 0.002 0.000 0.293 718 A C -0.220 177.444 177.584 0.133 0.000 1.117 718 A CA -0.911 51.165 52.037 0.065 0.000 0.723 718 A CB 1.229 20.202 19.000 -0.045 0.000 1.313 718 A HN 1.090 nan 8.150 nan 0.000 0.411 719 R N 0.125 120.715 120.500 0.151 0.000 2.778 719 R HA 0.841 5.182 4.340 0.002 0.000 0.277 719 R C -1.649 174.655 176.300 0.008 0.000 0.977 719 R CA -0.681 55.434 56.100 0.025 0.000 0.950 719 R CB 1.716 31.963 30.300 -0.088 0.000 1.165 719 R HN 0.329 nan 8.270 nan 0.000 0.474 720 V N 2.175 122.084 119.914 -0.008 0.000 2.604 720 V HA 0.593 4.714 4.120 0.002 0.000 0.305 720 V C -0.578 175.507 176.094 -0.014 0.000 1.043 720 V CA -0.763 61.534 62.300 -0.005 0.000 0.888 720 V CB 1.756 33.584 31.823 0.007 0.000 0.995 720 V HN 0.935 nan 8.190 nan 0.000 0.429 721 R N 2.792 123.284 120.500 -0.014 0.000 2.668 721 R HA 0.629 4.970 4.340 0.002 0.000 0.272 721 R C -1.212 175.082 176.300 -0.012 0.000 1.019 721 R CA -1.123 54.967 56.100 -0.016 0.000 0.894 721 R CB 1.535 31.820 30.300 -0.025 0.000 1.228 721 R HN 0.446 nan 8.270 nan 0.000 0.460 722 K N 1.728 122.122 120.400 -0.009 0.000 2.550 722 K HA 0.154 4.475 4.320 0.002 0.000 0.280 722 K C 0.376 176.970 176.600 -0.010 0.000 0.987 722 K CA 0.693 56.975 56.287 -0.008 0.000 1.048 722 K CB 0.443 32.940 32.500 -0.006 0.000 0.879 722 K HN 0.676 nan 8.250 nan 0.000 0.491 723 A N 0.000 122.814 122.820 -0.009 0.000 2.254 723 A HA 0.000 4.321 4.320 0.002 0.000 0.244 723 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 723 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 723 A HN 0.000 nan 8.150 nan 0.000 0.486