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 3gip_1_B DATA FIRST_RESID 5 DATA SEQUENCE EKLDFKITGG WIIDGTGAPR RRADLGVRDG RIAAIGELGA HPARHAWDAS DATA SEQUENCE GKIVAPGFID VHGHDDLMFV EKPDLRWKTS QGITTVVVGN CGVSAAPAPL DATA SEQUENCE PGNTAAALAL LGETPLFADV PAYFAALDAQ RPMINVAALV GHANLRLAAM DATA SEQUENCE RDPQAAPTAA EQQAMQDMLQ AALEAGAVGF STGLAYQPGA VAQAAELEGL DATA SEQUENCE ARVAAERRRL HTSHIRNEAD GVEAAVEEVL AIGRGTGCAT VVSHHKCMMP DATA SEQUENCE QNWGRSRATL ANIDRAREQG VEVALDIYPY PGSSTILIPE RAETIDDIRI DATA SEQUENCE TWSTPHPECS GEYLADIAAR WGCDKTTAAR RLAPAGAIYF AMDEDEVKRI DATA SEQUENCE FQHPCCMVGS DGLPNDARPH PRLWGSFTRV LGRYVREARL MTLEQAVARM DATA SEQUENCE TALPARVFGF AERGVLQPGA WADVVVFDPD TVADRATWDE PTLASVGIAG DATA SEQUENCE VLVNGAEVFP QPPADGRPGQ VLRA 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.735 176.600 0.226 0.000 1.382 5 E CA 0.000 56.464 56.400 0.106 0.000 0.976 5 E CB 0.000 29.735 29.700 0.059 0.000 0.812 6 K N 3.824 124.290 120.400 0.110 0.000 2.527 6 K HA 0.095 4.416 4.320 0.000 0.000 0.278 6 K C -0.587 175.976 176.600 -0.061 0.000 0.981 6 K CA 0.181 56.490 56.287 0.037 0.000 1.009 6 K CB 0.423 32.913 32.500 -0.016 0.000 0.895 6 K HN 0.406 nan 8.250 nan 0.000 0.493 7 L N 3.711 124.811 121.223 -0.205 0.000 2.343 7 L HA 0.136 4.476 4.340 0.000 0.000 0.275 7 L C 0.667 177.456 176.870 -0.135 0.000 1.056 7 L CA -0.579 54.134 54.840 -0.211 0.000 0.804 7 L CB 1.410 43.259 42.059 -0.349 0.000 1.203 7 L HN 0.764 nan 8.230 nan 0.000 0.440 8 D N 0.728 121.090 120.400 -0.064 0.000 2.194 8 D HA 0.063 4.704 4.640 0.000 0.000 0.204 8 D C -0.533 175.780 176.300 0.021 0.000 0.964 8 D CA 1.550 55.543 54.000 -0.011 0.000 0.846 8 D CB 0.243 41.077 40.800 0.057 0.000 0.962 8 D HN 0.207 nan 8.370 nan 0.000 0.490 9 F N -0.780 119.100 119.950 -0.117 0.000 2.678 9 F HA 0.310 4.837 4.527 0.000 0.000 0.308 9 F C -1.489 174.205 175.800 -0.176 0.000 1.118 9 F CA -1.203 56.703 58.000 -0.156 0.000 0.959 9 F CB 1.650 40.510 39.000 -0.233 0.000 1.305 9 F HN -0.385 nan 8.300 nan 0.000 0.443 10 K N 4.431 124.962 120.400 0.218 0.000 2.550 10 K HA 0.649 4.969 4.320 0.000 0.000 0.252 10 K C -2.194 174.510 176.600 0.174 0.000 0.943 10 K CA -0.720 55.630 56.287 0.104 0.000 0.806 10 K CB 2.208 34.699 32.500 -0.014 0.000 1.289 10 K HN 0.585 nan 8.250 nan 0.000 0.435 11 I N 3.500 124.151 120.570 0.135 0.000 2.382 11 I HA 0.245 4.415 4.170 0.000 0.000 0.285 11 I C -0.231 175.956 176.117 0.117 0.000 1.007 11 I CA -0.610 60.804 61.300 0.189 0.000 1.142 11 I CB 1.876 39.986 38.000 0.185 0.000 1.289 11 I HN 0.867 nan 8.210 nan 0.000 0.453 12 T N 0.788 115.414 114.554 0.120 0.000 2.942 12 T HA 0.670 5.020 4.350 0.000 0.000 0.289 12 T C 0.975 175.706 174.700 0.050 0.000 1.044 12 T CA 0.000 62.137 62.100 0.062 0.000 1.023 12 T CB 1.905 70.803 68.868 0.050 0.000 1.123 12 T HN 0.920 nan 8.240 nan 0.000 0.512 13 G N -0.050 108.751 108.800 0.002 0.000 2.212 13 G HA2 -0.082 3.879 3.960 0.000 0.000 0.266 13 G HA3 -0.082 3.879 3.960 0.000 0.000 0.266 13 G C 0.543 175.433 174.900 -0.016 0.000 0.978 13 G CA 0.325 45.419 45.100 -0.009 0.000 0.632 13 G HN 1.325 nan 8.290 nan 0.000 0.537 14 G N -1.562 107.234 108.800 -0.006 0.000 2.557 14 G HA2 0.508 4.468 3.960 0.000 0.000 0.302 14 G HA3 0.508 4.468 3.960 0.000 0.000 0.302 14 G C -0.692 174.170 174.900 -0.064 0.000 1.311 14 G CA -0.823 44.306 45.100 0.047 0.000 1.030 14 G HN 0.288 nan 8.290 nan 0.000 0.509 15 W N -0.155 121.126 121.300 -0.032 0.000 2.429 15 W HA 0.490 5.150 4.660 0.000 0.000 0.314 15 W C -0.276 176.224 176.519 -0.031 0.000 1.062 15 W CA -0.702 56.628 57.345 -0.026 0.000 1.211 15 W CB 1.306 30.748 29.460 -0.029 0.000 1.305 15 W HN 0.038 nan 8.180 nan 0.000 0.476 16 I N 5.501 126.154 120.570 0.139 0.000 2.371 16 I HA 0.220 4.390 4.170 0.000 0.000 0.290 16 I C 0.031 176.230 176.117 0.137 0.000 1.028 16 I CA -0.670 60.690 61.300 0.101 0.000 1.345 16 I CB 0.470 38.499 38.000 0.049 0.000 1.407 16 I HN 0.352 nan 8.210 nan 0.000 0.501 17 I N 6.157 126.803 120.570 0.127 0.000 2.502 17 I HA 0.095 4.266 4.170 0.000 0.000 0.276 17 I C 0.466 176.666 176.117 0.139 0.000 1.057 17 I CA -0.506 60.882 61.300 0.145 0.000 1.163 17 I CB 1.164 39.268 38.000 0.173 0.000 1.288 17 I HN 0.511 nan 8.210 nan 0.000 0.479 18 D N 3.685 124.154 120.400 0.114 0.000 2.378 18 D HA -0.017 4.623 4.640 0.000 0.000 0.227 18 D C 1.483 177.853 176.300 0.116 0.000 1.012 18 D CA 0.832 54.893 54.000 0.102 0.000 0.905 18 D CB 0.237 41.083 40.800 0.076 0.000 0.895 18 D HN 0.722 nan 8.370 nan 0.000 0.532 19 G N -0.159 108.724 108.800 0.138 0.000 2.199 19 G HA2 -0.368 3.592 3.960 0.000 0.000 0.254 19 G HA3 -0.368 3.592 3.960 0.000 0.000 0.254 19 G C 1.201 176.171 174.900 0.116 0.000 0.982 19 G CA 0.932 46.120 45.100 0.147 0.000 0.632 19 G HN 0.654 nan 8.290 nan 0.000 0.529 20 T N -1.779 112.832 114.554 0.095 0.000 3.113 20 T HA 0.414 4.764 4.350 0.000 0.000 0.256 20 T C 2.461 177.201 174.700 0.067 0.000 1.131 20 T CA 1.775 63.920 62.100 0.075 0.000 1.074 20 T CB 0.147 69.053 68.868 0.063 0.000 0.944 20 T HN 2.270 nan 8.240 nan 0.000 0.516 21 G N 0.999 109.845 108.800 0.077 0.000 2.194 21 G HA2 -0.043 3.918 3.960 0.000 0.000 0.236 21 G HA3 -0.043 3.918 3.960 0.000 0.000 0.236 21 G C 0.369 175.306 174.900 0.062 0.000 0.987 21 G CA -0.116 45.023 45.100 0.065 0.000 0.635 21 G HN 1.168 nan 8.290 nan 0.000 0.520 22 A N 0.876 123.736 122.820 0.066 0.000 2.425 22 A HA 0.639 4.959 4.320 0.000 0.000 0.242 22 A C -1.353 176.278 177.584 0.078 0.000 1.077 22 A CA -0.344 51.732 52.037 0.064 0.000 0.781 22 A CB -0.035 19.001 19.000 0.062 0.000 1.020 22 A HN 0.212 nan 8.150 nan 0.000 0.494 23 P HA 0.117 nan 4.420 nan 0.000 0.266 23 P C -0.276 177.104 177.300 0.134 0.000 1.195 23 P CA -0.028 63.128 63.100 0.093 0.000 0.768 23 P CB 0.394 32.145 31.700 0.086 0.000 0.838 24 R N 3.178 123.774 120.500 0.160 0.000 2.640 24 R HA 0.190 4.530 4.340 0.000 0.000 0.270 24 R C 0.019 176.552 176.300 0.388 0.000 1.024 24 R CA -0.090 56.161 56.100 0.252 0.000 1.085 24 R CB 0.259 30.702 30.300 0.239 0.000 0.963 24 R HN 0.551 nan 8.270 nan 0.000 0.426 25 R N 1.310 122.008 120.500 0.331 0.000 2.673 25 R HA 0.367 4.707 4.340 0.000 0.000 0.281 25 R C -1.166 175.019 176.300 -0.193 0.000 0.991 25 R CA -1.350 54.842 56.100 0.152 0.000 0.896 25 R CB 1.199 31.531 30.300 0.054 0.000 1.201 25 R HN 0.566 nan 8.270 nan 0.000 0.457 26 R N 2.288 122.357 120.500 -0.719 0.000 2.343 26 R HA 0.515 4.856 4.340 0.000 0.000 0.326 26 R C -1.372 174.669 176.300 -0.431 0.000 1.055 26 R CA 0.594 56.108 56.100 -0.977 0.000 0.961 26 R CB 0.228 29.830 30.300 -1.164 0.000 0.978 26 R HN 0.846 nan 8.270 nan 0.000 0.443 27 A N 3.657 126.295 122.820 -0.304 0.000 2.586 27 A HA 0.440 4.760 4.320 0.000 0.000 0.291 27 A C -1.722 175.803 177.584 -0.100 0.000 1.062 27 A CA -1.015 50.927 52.037 -0.158 0.000 0.666 27 A CB 1.180 20.121 19.000 -0.099 0.000 1.281 27 A HN 0.647 nan 8.150 nan 0.000 0.421 28 D N 0.213 120.579 120.400 -0.056 0.000 2.268 28 D HA 0.553 5.194 4.640 0.000 0.000 0.249 28 D C -0.793 175.504 176.300 -0.005 0.000 1.008 28 D CA -0.091 53.898 54.000 -0.019 0.000 0.939 28 D CB 2.136 42.933 40.800 -0.004 0.000 1.170 28 D HN 0.490 nan 8.370 nan 0.000 0.468 29 L N 0.263 121.492 121.223 0.009 0.000 2.362 29 L HA 0.620 4.960 4.340 0.000 0.000 0.275 29 L C -0.254 176.616 176.870 -0.001 0.000 0.998 29 L CA -0.429 54.413 54.840 0.003 0.000 0.820 29 L CB 1.562 43.624 42.059 0.005 0.000 1.270 29 L HN 0.415 nan 8.230 nan 0.000 0.415 30 G N 4.026 112.817 108.800 -0.016 0.000 2.415 30 G HA2 0.611 4.571 3.960 0.000 0.000 0.327 30 G HA3 0.611 4.571 3.960 0.000 0.000 0.327 30 G C -1.452 173.425 174.900 -0.038 0.000 1.182 30 G CA -0.386 44.691 45.100 -0.039 0.000 0.924 30 G HN 0.422 nan 8.290 nan 0.000 0.470 31 V N 1.763 121.660 119.914 -0.029 0.000 2.604 31 V HA 0.750 4.870 4.120 0.000 0.000 0.305 31 V C 0.023 176.107 176.094 -0.017 0.000 1.043 31 V CA -0.903 61.385 62.300 -0.020 0.000 0.888 31 V CB 1.910 33.729 31.823 -0.006 0.000 0.995 31 V HN 0.861 nan 8.190 nan 0.000 0.429 32 R N 2.627 123.112 120.500 -0.024 0.000 2.515 32 R HA 0.332 4.672 4.340 0.000 0.000 0.278 32 R C -1.190 175.098 176.300 -0.020 0.000 1.107 32 R CA -0.413 55.674 56.100 -0.022 0.000 0.945 32 R CB 1.364 31.644 30.300 -0.034 0.000 1.219 32 R HN 0.842 nan 8.270 nan 0.000 0.434 33 D N 3.315 123.716 120.400 0.002 0.000 2.708 33 D HA -0.192 4.448 4.640 0.000 0.000 0.236 33 D C 0.720 177.047 176.300 0.045 0.000 1.146 33 D CA 1.894 55.903 54.000 0.014 0.000 0.662 33 D CB -0.981 39.812 40.800 -0.013 0.000 1.059 33 D HN 1.092 nan 8.370 nan 0.000 0.428 34 G N -0.629 108.215 108.800 0.074 0.000 2.212 34 G HA2 -0.381 3.579 3.960 0.000 0.000 0.266 34 G HA3 -0.381 3.579 3.960 0.000 0.000 0.266 34 G C 0.466 175.450 174.900 0.140 0.000 0.978 34 G CA 0.818 46.021 45.100 0.171 0.000 0.632 34 G HN 0.567 nan 8.290 nan 0.000 0.537 35 R N -0.761 119.712 120.500 -0.045 0.000 2.902 35 R HA 0.700 5.040 4.340 0.000 0.000 0.258 35 R C 0.140 176.386 176.300 -0.091 0.000 1.071 35 R CA -1.132 54.878 56.100 -0.150 0.000 1.024 35 R CB 1.203 31.296 30.300 -0.345 0.000 1.184 35 R HN 0.160 nan 8.270 nan 0.000 0.492 36 I N 2.199 122.713 120.570 -0.093 0.000 2.421 36 I HA 0.015 4.186 4.170 0.000 0.000 0.291 36 I C 1.170 177.248 176.117 -0.064 0.000 1.089 36 I CA 0.150 61.414 61.300 -0.061 0.000 1.354 36 I CB 1.292 39.265 38.000 -0.044 0.000 1.413 36 I HN 0.818 nan 8.210 nan 0.000 0.513 37 A N 5.742 128.533 122.820 -0.049 0.000 1.897 37 A HA 0.452 4.772 4.320 0.000 0.000 0.215 37 A C 1.050 178.624 177.584 -0.017 0.000 1.181 37 A CA 1.318 53.333 52.037 -0.036 0.000 0.620 37 A CB 0.051 19.035 19.000 -0.027 0.000 0.821 37 A HN 0.803 nan 8.150 nan 0.000 0.443 38 A N -1.858 120.956 122.820 -0.010 0.000 2.586 38 A HA 0.631 4.951 4.320 0.000 0.000 0.291 38 A C -1.511 176.074 177.584 0.002 0.000 1.062 38 A CA -0.475 51.563 52.037 0.002 0.000 0.666 38 A CB 0.389 19.405 19.000 0.027 0.000 1.281 38 A HN 0.318 nan 8.150 nan 0.000 0.421 39 I N 0.911 121.481 120.570 0.002 0.000 2.478 39 I HA 0.667 4.837 4.170 0.000 0.000 0.287 39 I C 0.595 176.708 176.117 -0.006 0.000 1.042 39 I CA 0.265 61.563 61.300 -0.002 0.000 1.067 39 I CB 1.853 39.851 38.000 -0.003 0.000 1.233 39 I HN 1.354 nan 8.210 nan 0.000 0.431 40 G N 4.969 113.762 108.800 -0.011 0.000 2.564 40 G HA2 0.042 4.002 3.960 0.000 0.000 0.139 40 G HA3 0.042 4.002 3.960 0.000 0.000 0.139 40 G C -1.427 173.461 174.900 -0.020 0.000 1.147 40 G CA -0.625 44.462 45.100 -0.020 0.000 1.031 40 G HN 0.469 nan 8.290 nan 0.000 0.482 41 E N 0.761 120.952 120.200 -0.014 0.000 2.129 41 E HA 0.617 4.967 4.350 0.000 0.000 0.283 41 E C 0.419 177.032 176.600 0.022 0.000 1.080 41 E CA -0.056 56.338 56.400 -0.009 0.000 0.867 41 E CB 0.392 30.082 29.700 -0.016 0.000 1.056 41 E HN 0.382 nan 8.360 nan 0.000 0.404 42 L N 3.685 124.927 121.223 0.031 0.000 3.333 42 L HA 0.336 4.676 4.340 0.000 0.000 0.299 42 L C 1.648 178.555 176.870 0.062 0.000 1.256 42 L CA 0.013 54.898 54.840 0.075 0.000 1.037 42 L CB 0.767 42.863 42.059 0.062 0.000 1.423 42 L HN 0.733 nan 8.230 nan 0.000 0.605 43 G N 0.660 109.480 108.800 0.033 0.000 2.450 43 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 43 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 43 G C 1.427 176.347 174.900 0.033 0.000 1.130 43 G CA 1.149 46.264 45.100 0.026 0.000 0.760 43 G HN 0.451 nan 8.290 nan 0.000 0.557 44 A N -1.193 121.652 122.820 0.042 0.000 2.197 44 A HA 0.298 4.618 4.320 0.000 0.000 0.210 44 A C 0.877 178.510 177.584 0.081 0.000 1.180 44 A CA -0.293 51.767 52.037 0.038 0.000 0.846 44 A CB -0.254 18.753 19.000 0.012 0.000 0.884 44 A HN 0.518 nan 8.150 nan 0.000 0.487 45 H N 1.475 120.533 119.070 -0.020 0.000 2.955 45 H HA 0.230 4.786 4.556 0.000 0.000 0.290 45 H C -2.410 172.900 175.328 -0.030 0.000 1.047 45 H CA -2.061 53.973 56.048 -0.024 0.000 1.484 45 H CB 0.587 30.336 29.762 -0.021 0.000 1.501 45 H HN 0.128 nan 8.280 nan 0.000 0.521 46 P HA 0.085 nan 4.420 nan 0.000 0.267 46 P C -1.436 175.812 177.300 -0.087 0.000 1.200 46 P CA 0.146 63.276 63.100 0.049 0.000 0.772 46 P CB 0.918 32.655 31.700 0.063 0.000 0.855 47 A N 2.311 125.055 122.820 -0.127 0.000 2.547 47 A HA 0.369 4.689 4.320 0.000 0.000 0.297 47 A C 0.715 178.151 177.584 -0.245 0.000 1.056 47 A CA -0.675 51.245 52.037 -0.196 0.000 0.688 47 A CB 1.297 20.177 19.000 -0.199 0.000 1.282 47 A HN 0.441 nan 8.150 nan 0.000 0.400 48 R N 0.356 120.669 120.500 -0.312 0.000 2.148 48 R HA 0.030 4.370 4.340 0.000 0.000 0.227 48 R C -0.195 175.607 176.300 -0.829 0.000 1.103 48 R CA 1.047 56.853 56.100 -0.490 0.000 0.983 48 R CB -0.040 29.979 30.300 -0.469 0.000 0.874 48 R HN 0.726 nan 8.270 nan 0.000 0.451 49 H N -1.611 117.134 119.070 -0.543 0.000 2.930 49 H HA 0.614 5.170 4.556 0.000 0.000 0.371 49 H C -1.178 173.630 175.328 -0.867 0.000 1.169 49 H CA -0.869 54.632 56.048 -0.911 0.000 1.157 49 H CB 2.242 30.912 29.762 -1.819 0.000 1.789 49 H HN 0.087 nan 8.280 nan 0.000 0.547 50 A N 1.814 124.377 122.820 -0.429 0.000 2.520 50 A HA 0.544 4.865 4.320 0.000 0.000 0.298 50 A C -2.019 175.720 177.584 0.258 0.000 1.051 50 A CA -0.747 51.236 52.037 -0.090 0.000 0.690 50 A CB 1.631 20.617 19.000 -0.023 0.000 1.281 50 A HN 0.405 nan 8.150 nan 0.000 0.402 51 W N 1.096 122.519 121.300 0.204 0.000 2.702 51 W HA 0.467 5.127 4.660 0.000 0.000 0.331 51 W C -0.879 175.702 176.519 0.102 0.000 1.049 51 W CA -0.906 56.545 57.345 0.176 0.000 1.230 51 W CB 1.918 31.515 29.460 0.229 0.000 1.408 51 W HN 0.748 nan 8.180 nan 0.000 0.492 52 D N 1.996 122.558 120.400 0.270 0.000 2.380 52 D HA 0.408 5.048 4.640 0.000 0.000 0.230 52 D C 0.439 176.811 176.300 0.121 0.000 1.154 52 D CA -0.009 54.084 54.000 0.155 0.000 0.859 52 D CB 1.101 41.961 40.800 0.101 0.000 1.045 52 D HN 0.355 nan 8.370 nan 0.000 0.495 53 A N 3.078 125.972 122.820 0.124 0.000 2.462 53 A HA 0.193 4.513 4.320 0.000 0.000 0.261 53 A C 0.755 178.389 177.584 0.083 0.000 1.323 53 A CA -0.426 51.667 52.037 0.094 0.000 0.913 53 A CB -0.163 18.900 19.000 0.105 0.000 1.028 53 A HN 0.419 nan 8.150 nan 0.000 0.511 54 S N 0.147 115.896 115.700 0.080 0.000 2.575 54 S HA 0.361 4.831 4.470 0.000 0.000 0.295 54 S C 1.466 176.128 174.600 0.103 0.000 1.267 54 S CA 0.938 59.193 58.200 0.091 0.000 1.074 54 S CB 0.319 63.563 63.200 0.073 0.000 0.829 54 S HN 1.618 nan 8.310 nan 0.000 0.497 55 G N 2.677 111.571 108.800 0.156 0.000 2.155 55 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 55 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 55 G C -0.117 174.829 174.900 0.077 0.000 0.983 55 G CA 0.496 45.669 45.100 0.121 0.000 0.676 55 G HN 0.610 nan 8.290 nan 0.000 0.528 56 K N -0.762 119.691 120.400 0.087 0.000 2.395 56 K HA 0.740 5.061 4.320 0.000 0.000 0.245 56 K C -0.255 176.317 176.600 -0.048 0.000 1.017 56 K CA -1.248 55.032 56.287 -0.011 0.000 0.852 56 K CB 1.572 34.060 32.500 -0.019 0.000 1.311 56 K HN -0.011 nan 8.250 nan 0.000 0.452 57 I N 2.056 122.438 120.570 -0.313 0.000 2.385 57 I HA 0.248 4.418 4.170 0.000 0.000 0.294 57 I C -0.326 175.591 176.117 -0.333 0.000 0.988 57 I CA -0.712 60.350 61.300 -0.395 0.000 1.265 57 I CB 1.472 38.944 38.000 -0.881 0.000 1.388 57 I HN 0.252 nan 8.210 nan 0.000 0.480 58 V N 5.804 125.658 119.914 -0.100 0.000 2.357 58 V HA 0.786 4.906 4.120 0.000 0.000 0.284 58 V C 0.289 176.403 176.094 0.033 0.000 1.018 58 V CA -0.399 61.892 62.300 -0.014 0.000 0.841 58 V CB 1.225 33.068 31.823 0.034 0.000 0.991 58 V HN 0.939 nan 8.190 nan 0.000 0.437 59 A N 7.018 129.882 122.820 0.073 0.000 2.530 59 A HA 1.032 5.353 4.320 0.000 0.000 0.288 59 A C -3.118 174.515 177.584 0.082 0.000 1.172 59 A CA -1.982 50.141 52.037 0.144 0.000 0.733 59 A CB 2.058 21.260 19.000 0.336 0.000 1.320 59 A HN 0.580 nan 8.150 nan 0.000 0.419 60 P HA 0.327 nan 4.420 nan 0.000 0.271 60 P C 0.372 177.650 177.300 -0.038 0.000 1.218 60 P CA 0.271 63.407 63.100 0.061 0.000 0.780 60 P CB 0.611 32.385 31.700 0.123 0.000 0.901 61 G N 1.848 110.580 108.800 -0.114 0.000 2.484 61 G HA2 0.190 4.150 3.960 0.000 0.000 0.235 61 G HA3 0.190 4.150 3.960 0.000 0.000 0.235 61 G C -0.610 174.196 174.900 -0.157 0.000 1.282 61 G CA -0.246 44.689 45.100 -0.276 0.000 0.857 61 G HN 0.230 nan 8.290 nan 0.000 0.571 62 F N 0.083 119.946 119.950 -0.145 0.000 2.429 62 F HA 0.372 4.899 4.527 0.000 0.000 0.348 62 F C 0.945 176.583 175.800 -0.270 0.000 1.109 62 F CA -1.116 56.755 58.000 -0.215 0.000 1.232 62 F CB 0.861 39.557 39.000 -0.506 0.000 1.157 62 F HN 0.141 nan 8.300 nan 0.000 0.564 63 I N 2.617 123.255 120.570 0.114 0.000 2.330 63 I HA 0.120 4.291 4.170 0.000 0.000 0.286 63 I C -0.359 175.840 176.117 0.138 0.000 1.025 63 I CA -0.659 60.684 61.300 0.073 0.000 1.197 63 I CB 0.991 39.103 38.000 0.187 0.000 1.358 63 I HN 0.393 nan 8.210 nan 0.000 0.467 64 D N 6.458 126.874 120.400 0.026 0.000 2.374 64 D HA 0.068 4.708 4.640 0.000 0.000 0.240 64 D C 1.107 177.481 176.300 0.123 0.000 1.229 64 D CA -0.245 53.887 54.000 0.220 0.000 0.895 64 D CB 1.338 42.207 40.800 0.114 0.000 1.046 64 D HN 0.403 nan 8.370 nan 0.000 0.498 65 V N 2.203 122.209 119.914 0.153 0.000 3.380 65 V HA 0.060 4.180 4.120 0.000 0.000 0.268 65 V C 0.627 176.748 176.094 0.044 0.000 1.168 65 V CA 0.776 63.054 62.300 -0.035 0.000 1.156 65 V CB -0.963 30.916 31.823 0.092 0.000 0.785 65 V HN 0.534 nan 8.190 nan 0.000 0.487 66 H N 0.426 119.533 119.070 0.061 0.000 2.348 66 H HA 0.680 5.237 4.556 0.000 0.000 0.232 66 H C 0.404 175.722 175.328 -0.017 0.000 1.419 66 H CA 0.153 56.217 56.048 0.027 0.000 1.416 66 H CB 0.170 29.984 29.762 0.087 0.000 1.510 66 H HN 0.499 nan 8.280 nan 0.000 0.507 67 G N 0.318 109.028 108.800 -0.150 0.000 2.441 67 G HA2 0.203 4.163 3.960 0.000 0.000 0.334 67 G HA3 0.203 4.163 3.960 0.000 0.000 0.334 67 G C -0.356 174.403 174.900 -0.234 0.000 1.161 67 G CA -0.456 44.603 45.100 -0.068 0.000 0.935 67 G HN 0.674 nan 8.290 nan 0.000 0.488 68 H N 0.173 119.288 119.070 0.074 0.000 2.575 68 H HA 0.155 4.711 4.556 0.000 0.000 0.256 68 H C 0.017 175.361 175.328 0.027 0.000 1.162 68 H CA -0.319 55.757 56.048 0.046 0.000 0.969 68 H CB 0.849 30.641 29.762 0.050 0.000 1.796 68 H HN 0.543 nan 8.280 nan 0.000 0.607 69 D N 0.621 121.097 120.400 0.126 0.000 2.325 69 D HA -0.043 4.597 4.640 0.000 0.000 0.234 69 D C 0.548 176.774 176.300 -0.124 0.000 1.122 69 D CA 0.059 54.059 54.000 0.000 0.000 0.850 69 D CB 0.360 41.160 40.800 0.001 0.000 0.921 69 D HN 0.337 nan 8.370 nan 0.000 0.513 70 D N 1.095 121.560 120.400 0.107 0.000 2.192 70 D HA -0.191 4.450 4.640 0.000 0.000 0.189 70 D C 1.797 178.256 176.300 0.265 0.000 1.007 70 D CA 1.109 55.257 54.000 0.247 0.000 0.859 70 D CB -0.072 40.796 40.800 0.113 0.000 0.936 70 D HN 0.306 nan 8.370 nan 0.000 0.447 71 L N -0.316 120.969 121.223 0.103 0.000 2.607 71 L HA 0.164 4.504 4.340 0.000 0.000 0.228 71 L C 1.498 178.386 176.870 0.030 0.000 1.123 71 L CA -0.147 54.785 54.840 0.154 0.000 0.890 71 L CB -0.020 42.097 42.059 0.098 0.000 1.103 71 L HN 0.035 nan 8.230 nan 0.000 0.468 72 M N -0.573 118.909 119.600 -0.196 0.000 2.476 72 M HA -0.027 4.453 4.480 0.000 0.000 0.262 72 M C 1.759 177.949 176.300 -0.184 0.000 1.079 72 M CA 1.307 56.504 55.300 -0.172 0.000 1.104 72 M CB -0.782 31.776 32.600 -0.070 0.000 1.409 72 M HN 0.169 nan 8.290 nan 0.000 0.467 73 F N -0.804 119.241 119.950 0.158 0.000 2.451 73 F HA -0.071 4.456 4.527 0.000 0.000 0.299 73 F C 2.425 178.283 175.800 0.097 0.000 1.101 73 F CA 0.666 58.717 58.000 0.085 0.000 1.436 73 F CB -1.101 37.923 39.000 0.041 0.000 1.074 73 F HN 0.026 nan 8.300 nan 0.000 0.553 74 V N -1.011 119.047 119.914 0.239 0.000 3.048 74 V HA 0.040 4.160 4.120 0.000 0.000 0.241 74 V C 1.824 177.993 176.094 0.125 0.000 1.129 74 V CA 0.961 63.378 62.300 0.195 0.000 1.128 74 V CB 0.228 32.201 31.823 0.250 0.000 0.849 74 V HN 0.174 nan 8.190 nan 0.000 0.475 75 E N 0.418 120.677 120.200 0.098 0.000 2.112 75 E HA 0.016 4.366 4.350 0.000 0.000 0.190 75 E C 0.305 176.951 176.600 0.076 0.000 0.979 75 E CA 0.638 57.075 56.400 0.062 0.000 0.814 75 E CB 0.185 29.900 29.700 0.024 0.000 0.762 75 E HN 0.443 nan 8.360 nan 0.000 0.460 76 K N 0.161 120.630 120.400 0.115 0.000 3.098 76 K HA 0.174 4.494 4.320 0.000 0.000 0.170 76 K C -2.444 174.263 176.600 0.179 0.000 1.106 76 K CA -1.101 55.298 56.287 0.185 0.000 0.864 76 K CB 1.748 34.422 32.500 0.290 0.000 1.047 76 K HN -0.134 nan 8.250 nan 0.000 0.609 77 P HA -0.272 nan 4.420 nan 0.000 0.218 77 P C 0.607 177.917 177.300 0.016 0.000 1.146 77 P CA 1.644 64.791 63.100 0.078 0.000 0.820 77 P CB 0.101 31.847 31.700 0.076 0.000 0.778 78 D N -0.297 120.118 120.400 0.026 0.000 2.178 78 D HA -0.168 4.472 4.640 0.000 0.000 0.201 78 D C 0.777 176.949 176.300 -0.214 0.000 0.980 78 D CA 0.411 54.397 54.000 -0.024 0.000 0.842 78 D CB -1.075 39.765 40.800 0.067 0.000 0.948 78 D HN 0.052 nan 8.370 nan 0.000 0.472 79 L N -0.779 120.144 121.223 -0.500 0.000 3.781 79 L HA -0.298 4.042 4.340 0.000 0.000 0.426 79 L C 1.433 177.677 176.870 -1.043 0.000 1.197 79 L CA 0.002 54.056 54.840 -1.311 0.000 0.907 79 L CB -1.265 40.320 42.059 -0.790 0.000 1.812 79 L HN 0.138 nan 8.230 nan 0.000 0.956 80 R N 1.192 121.388 120.500 -0.508 0.000 2.152 80 R HA -0.162 4.178 4.340 0.000 0.000 0.232 80 R C 1.892 177.890 176.300 -0.504 0.000 1.117 80 R CA 2.381 58.355 56.100 -0.211 0.000 0.981 80 R CB -0.312 30.111 30.300 0.206 0.000 0.870 80 R HN 0.753 nan 8.270 nan 0.000 0.451 81 W N -0.065 120.657 121.300 -0.964 0.000 2.525 81 W HA 0.039 4.699 4.660 0.000 0.000 0.259 81 W C 1.098 177.174 176.519 -0.739 0.000 1.253 81 W CA 0.245 56.598 57.345 -1.654 0.000 1.262 81 W CB -0.030 28.341 29.460 -1.815 0.000 1.122 81 W HN -0.140 nan 8.180 nan 0.000 0.607 82 K N 0.873 120.753 120.400 -0.867 0.000 2.108 82 K HA -0.004 4.316 4.320 0.000 0.000 0.204 82 K C 2.223 178.574 176.600 -0.414 0.000 1.036 82 K CA 2.213 58.163 56.287 -0.562 0.000 0.965 82 K CB -1.462 30.669 32.500 -0.615 0.000 0.804 82 K HN 0.303 nan 8.250 nan 0.000 0.454 83 T N 0.558 114.872 114.554 -0.400 0.000 2.759 83 T HA -0.151 4.200 4.350 0.000 0.000 0.269 83 T C 2.126 176.533 174.700 -0.488 0.000 1.042 83 T CA 2.012 63.925 62.100 -0.312 0.000 1.140 83 T CB -0.526 68.266 68.868 -0.127 0.000 0.864 83 T HN 0.202 nan 8.240 nan 0.000 0.455 84 S N 2.004 117.453 115.700 -0.418 0.000 2.507 84 S HA -0.120 4.350 4.470 0.000 0.000 0.235 84 S C 1.837 176.200 174.600 -0.394 0.000 0.988 84 S CA 0.714 58.584 58.200 -0.551 0.000 0.944 84 S CB -0.646 62.588 63.200 0.056 0.000 0.762 84 S HN 0.924 nan 8.310 nan 0.000 0.526 85 Q N -0.237 119.408 119.800 -0.257 0.000 2.172 85 Q HA 0.528 4.869 4.340 0.000 0.000 0.217 85 Q C 1.022 176.983 176.000 -0.065 0.000 0.832 85 Q CA 0.082 55.829 55.803 -0.093 0.000 1.010 85 Q CB 0.065 28.832 28.738 0.049 0.000 1.133 85 Q HN 0.516 nan 8.270 nan 0.000 0.489 86 G N 1.446 110.089 108.800 -0.262 0.000 2.141 86 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 86 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 86 G C 0.007 174.656 174.900 -0.420 0.000 0.982 86 G CA 0.031 44.917 45.100 -0.357 0.000 0.662 86 G HN 0.434 nan 8.290 nan 0.000 0.527 87 I N 1.771 122.135 120.570 -0.344 0.000 2.416 87 I HA 0.338 4.508 4.170 0.000 0.000 0.288 87 I C 1.712 177.645 176.117 -0.306 0.000 1.051 87 I CA 0.611 61.686 61.300 -0.375 0.000 1.375 87 I CB 1.356 39.104 38.000 -0.420 0.000 1.407 87 I HN 0.247 nan 8.210 nan 0.000 0.516 88 T N -0.459 113.935 114.554 -0.267 0.000 2.985 88 T HA 0.194 4.544 4.350 0.000 0.000 0.254 88 T C 0.550 175.111 174.700 -0.233 0.000 1.021 88 T CA -0.018 61.944 62.100 -0.230 0.000 0.957 88 T CB 0.303 69.049 68.868 -0.203 0.000 1.047 88 T HN 0.522 nan 8.240 nan 0.000 0.511 89 T N 1.268 115.688 114.554 -0.223 0.000 2.956 89 T HA 0.669 5.019 4.350 0.000 0.000 0.312 89 T C -1.771 172.822 174.700 -0.179 0.000 1.151 89 T CA -0.578 61.375 62.100 -0.246 0.000 1.024 89 T CB 2.535 71.218 68.868 -0.309 0.000 1.140 89 T HN 0.135 nan 8.240 nan 0.000 0.473 90 V N 2.993 122.815 119.914 -0.153 0.000 2.789 90 V HA 0.746 4.866 4.120 0.000 0.000 0.311 90 V C -1.243 174.817 176.094 -0.055 0.000 1.073 90 V CA -0.567 61.695 62.300 -0.064 0.000 0.921 90 V CB 2.058 33.895 31.823 0.023 0.000 1.009 90 V HN 0.737 nan 8.190 nan 0.000 0.426 91 V N 7.270 127.142 119.914 -0.070 0.000 2.350 91 V HA 0.519 4.639 4.120 0.000 0.000 0.276 91 V C 0.227 176.307 176.094 -0.023 0.000 1.028 91 V CA -0.076 62.176 62.300 -0.080 0.000 0.860 91 V CB 1.318 32.944 31.823 -0.329 0.000 0.990 91 V HN 0.876 nan 8.190 nan 0.000 0.453 92 V N 1.923 121.885 119.914 0.080 0.000 3.267 92 V HA 1.029 5.149 4.120 0.000 0.000 0.317 92 V C 0.934 177.083 176.094 0.091 0.000 1.131 92 V CA -0.095 62.264 62.300 0.100 0.000 1.031 92 V CB 1.169 33.151 31.823 0.265 0.000 1.159 92 V HN 1.450 nan 8.190 nan 0.000 0.454 93 G N 0.716 109.567 108.800 0.086 0.000 2.171 93 G HA2 -0.201 3.759 3.960 0.000 0.000 0.238 93 G HA3 -0.201 3.759 3.960 0.000 0.000 0.238 93 G C -0.042 174.907 174.900 0.082 0.000 1.039 93 G CA 0.201 45.361 45.100 0.100 0.000 0.759 93 G HN 0.910 nan 8.290 nan 0.000 0.501 94 N N -0.940 117.752 118.700 -0.014 0.000 2.463 94 N HA 0.385 5.125 4.740 0.000 0.000 0.270 94 N C 1.385 177.047 175.510 0.254 0.000 1.205 94 N CA 0.421 53.437 53.050 -0.055 0.000 0.974 94 N CB 1.073 39.166 38.487 -0.657 0.000 1.197 94 N HN 0.710 nan 8.380 nan 0.000 0.504 95 C N -0.112 119.384 119.300 0.326 0.000 4.356 95 C HA -0.142 4.318 4.460 0.000 0.000 0.296 95 C C 1.417 176.637 174.990 0.383 0.000 1.424 95 C CA 0.491 59.801 59.018 0.487 0.000 2.000 95 C CB -2.476 25.732 27.740 0.780 0.000 1.262 95 C HN 1.116 nan 8.230 nan 0.000 0.789 96 G N -1.887 107.094 108.800 0.301 0.000 2.199 96 G HA2 -0.021 3.939 3.960 0.000 0.000 0.254 96 G HA3 -0.021 3.939 3.960 0.000 0.000 0.254 96 G C -0.000 175.019 174.900 0.199 0.000 0.982 96 G CA 0.420 45.689 45.100 0.281 0.000 0.632 96 G HN 2.192 nan 8.290 nan 0.000 0.529 97 V N -0.869 119.153 119.914 0.181 0.000 2.495 97 V HA 0.962 5.082 4.120 0.000 0.000 0.298 97 V C 0.002 176.163 176.094 0.111 0.000 1.031 97 V CA 0.112 62.478 62.300 0.110 0.000 0.871 97 V CB 1.492 33.346 31.823 0.052 0.000 0.988 97 V HN 1.464 nan 8.190 nan 0.000 0.432 98 S N 3.105 118.839 115.700 0.058 0.000 2.685 98 S HA 0.848 5.318 4.470 0.000 0.000 0.282 98 S C 0.894 175.458 174.600 -0.059 0.000 1.159 98 S CA -0.251 57.958 58.200 0.015 0.000 0.833 98 S CB 1.543 64.754 63.200 0.019 0.000 1.151 98 S HN 1.720 nan 8.310 nan 0.000 0.485 99 A N 0.137 122.838 122.820 -0.199 0.000 2.015 99 A HA 0.576 4.896 4.320 0.000 0.000 0.219 99 A C 1.078 178.591 177.584 -0.117 0.000 1.163 99 A CA 1.288 53.174 52.037 -0.253 0.000 0.646 99 A CB -0.955 17.513 19.000 -0.887 0.000 0.806 99 A HN 1.725 nan 8.150 nan 0.000 0.448 100 A N -1.359 121.366 122.820 -0.158 0.000 2.606 100 A HA 0.685 5.005 4.320 0.000 0.000 0.293 100 A C -3.129 174.435 177.584 -0.034 0.000 1.082 100 A CA -1.597 50.414 52.037 -0.043 0.000 0.685 100 A CB 1.084 20.071 19.000 -0.023 0.000 1.284 100 A HN 0.038 nan 8.150 nan 0.000 0.408 101 P HA 0.479 nan 4.420 nan 0.000 0.276 101 P C -0.145 177.159 177.300 0.008 0.000 1.252 101 P CA -0.001 63.104 63.100 0.009 0.000 0.802 101 P CB 1.168 32.871 31.700 0.005 0.000 1.035 102 A N 2.413 125.241 122.820 0.013 0.000 2.371 102 A HA 0.481 4.801 4.320 0.000 0.000 0.257 102 A C -1.889 175.689 177.584 -0.010 0.000 1.089 102 A CA -1.290 50.744 52.037 -0.004 0.000 0.794 102 A CB -1.092 17.902 19.000 -0.009 0.000 1.029 102 A HN 0.456 nan 8.150 nan 0.000 0.488 103 P HA 0.283 nan 4.420 nan 0.000 0.274 103 P C -0.451 176.840 177.300 -0.015 0.000 1.237 103 P CA -0.307 62.783 63.100 -0.017 0.000 0.793 103 P CB 0.595 32.283 31.700 -0.020 0.000 0.977 104 L N 2.243 123.458 121.223 -0.014 0.000 2.467 104 L HA 0.161 4.502 4.340 0.000 0.000 0.270 104 L C -1.800 175.062 176.870 -0.012 0.000 1.205 104 L CA -1.685 53.148 54.840 -0.011 0.000 0.828 104 L CB -0.677 41.376 42.059 -0.010 0.000 1.101 104 L HN 0.259 nan 8.230 nan 0.000 0.479 105 P HA 0.017 nan 4.420 nan 0.000 0.262 105 P C 0.606 177.900 177.300 -0.010 0.000 1.182 105 P CA 0.944 64.037 63.100 -0.012 0.000 0.761 105 P CB 0.630 32.324 31.700 -0.010 0.000 0.795 106 G N 2.039 110.833 108.800 -0.011 0.000 2.199 106 G HA2 -0.220 3.740 3.960 0.000 0.000 0.254 106 G HA3 -0.220 3.740 3.960 0.000 0.000 0.254 106 G C 0.222 175.117 174.900 -0.008 0.000 0.982 106 G CA -0.397 44.698 45.100 -0.008 0.000 0.632 106 G HN 0.534 nan 8.290 nan 0.000 0.529 107 N N 0.721 119.415 118.700 -0.010 0.000 2.426 107 N HA 0.690 5.430 4.740 0.000 0.000 0.275 107 N C -0.077 175.426 175.510 -0.013 0.000 1.019 107 N CA 0.636 53.679 53.050 -0.011 0.000 0.941 107 N CB 1.739 40.218 38.487 -0.014 0.000 1.123 107 N HN 0.349 nan 8.380 nan 0.000 0.486 108 T N -0.147 114.401 114.554 -0.010 0.000 2.762 108 T HA 0.863 5.213 4.350 0.000 0.000 0.301 108 T C -1.903 172.793 174.700 -0.007 0.000 1.299 108 T CA -0.600 61.493 62.100 -0.011 0.000 1.005 108 T CB 1.204 70.067 68.868 -0.007 0.000 1.377 108 T HN 0.461 nan 8.240 nan 0.000 0.504 109 A N 0.437 123.251 122.820 -0.010 0.000 2.547 109 A HA 0.799 5.120 4.320 0.000 0.000 0.297 109 A C 0.873 178.447 177.584 -0.016 0.000 1.056 109 A CA 0.112 52.143 52.037 -0.009 0.000 0.688 109 A CB 0.840 19.831 19.000 -0.015 0.000 1.282 109 A HN 1.329 nan 8.150 nan 0.000 0.400 110 A N 1.270 124.086 122.820 -0.007 0.000 1.940 110 A HA 0.170 4.490 4.320 0.000 0.000 0.219 110 A C 2.200 179.752 177.584 -0.054 0.000 1.176 110 A CA 2.619 54.658 52.037 0.003 0.000 0.631 110 A CB -0.815 18.198 19.000 0.022 0.000 0.814 110 A HN 2.137 nan 8.150 nan 0.000 0.446 111 A N -0.466 122.254 122.820 -0.167 0.000 2.125 111 A HA 0.025 4.345 4.320 0.000 0.000 0.219 111 A C 1.952 179.418 177.584 -0.197 0.000 1.156 111 A CA 1.200 53.038 52.037 -0.331 0.000 0.671 111 A CB -0.596 18.064 19.000 -0.568 0.000 0.794 111 A HN 0.505 nan 8.150 nan 0.000 0.459 112 L N -1.082 120.076 121.223 -0.109 0.000 2.362 112 L HA -0.162 4.178 4.340 0.000 0.000 0.219 112 L C 2.807 179.618 176.870 -0.099 0.000 1.134 112 L CA 0.654 55.444 54.840 -0.083 0.000 0.807 112 L CB -0.390 41.636 42.059 -0.054 0.000 0.927 112 L HN 0.449 nan 8.230 nan 0.000 0.447 113 A N -0.042 122.726 122.820 -0.086 0.000 2.172 113 A HA -0.076 4.244 4.320 0.000 0.000 0.216 113 A C 2.119 179.586 177.584 -0.194 0.000 1.154 113 A CA 0.870 52.832 52.037 -0.125 0.000 0.701 113 A CB -0.463 18.560 19.000 0.039 0.000 0.789 113 A HN 0.426 nan 8.150 nan 0.000 0.465 114 L N -1.008 120.104 121.223 -0.185 0.000 2.465 114 L HA -0.052 4.288 4.340 0.000 0.000 0.224 114 L C 2.076 178.820 176.870 -0.210 0.000 1.145 114 L CA 0.432 55.115 54.840 -0.262 0.000 0.834 114 L CB -0.338 41.439 42.059 -0.469 0.000 0.944 114 L HN 0.400 nan 8.230 nan 0.000 0.451 115 L N -1.293 119.842 121.223 -0.147 0.000 2.269 115 L HA 0.355 4.695 4.340 0.000 0.000 0.200 115 L C 1.096 177.902 176.870 -0.107 0.000 1.069 115 L CA 0.599 55.391 54.840 -0.080 0.000 0.804 115 L CB -0.168 41.867 42.059 -0.040 0.000 0.987 115 L HN 0.340 nan 8.230 nan 0.000 0.468 116 G N -0.532 108.182 108.800 -0.143 0.000 2.340 116 G HA2 -0.083 3.877 3.960 0.000 0.000 0.282 116 G HA3 -0.083 3.877 3.960 0.000 0.000 0.282 116 G C -0.463 174.358 174.900 -0.132 0.000 1.312 116 G CA -0.450 44.557 45.100 -0.155 0.000 0.942 116 G HN -0.093 nan 8.290 nan 0.000 0.495 117 E N -0.517 119.612 120.200 -0.117 0.000 2.364 117 E HA 0.258 4.608 4.350 0.000 0.000 0.196 117 E C 1.357 177.910 176.600 -0.078 0.000 0.990 117 E CA 0.693 57.035 56.400 -0.096 0.000 0.886 117 E CB 0.307 29.951 29.700 -0.093 0.000 0.866 117 E HN 0.501 nan 8.360 nan 0.000 0.493 118 T N 4.158 118.671 114.554 -0.069 0.000 2.871 118 T HA 0.034 4.384 4.350 0.000 0.000 0.296 118 T C -2.395 172.236 174.700 -0.116 0.000 0.998 118 T CA -0.854 61.200 62.100 -0.077 0.000 1.162 118 T CB 0.511 69.354 68.868 -0.042 0.000 0.947 118 T HN 0.098 nan 8.240 nan 0.000 0.536 119 P HA 0.069 nan 4.420 nan 0.000 0.266 119 P C 0.048 177.196 177.300 -0.252 0.000 1.195 119 P CA -0.185 62.817 63.100 -0.163 0.000 0.768 119 P CB 0.535 32.143 31.700 -0.153 0.000 0.838 120 L N 2.451 123.570 121.223 -0.173 0.000 2.473 120 L HA 0.155 4.496 4.340 0.000 0.000 0.268 120 L C 1.075 177.814 176.870 -0.220 0.000 1.215 120 L CA -0.168 54.584 54.840 -0.148 0.000 0.823 120 L CB -0.331 41.699 42.059 -0.049 0.000 1.099 120 L HN 0.263 nan 8.230 nan 0.000 0.483 121 F N -0.109 119.825 119.950 -0.026 0.000 2.389 121 F HA 0.218 4.745 4.527 0.000 0.000 0.337 121 F C 1.264 177.059 175.800 -0.008 0.000 1.112 121 F CA 0.072 58.079 58.000 0.011 0.000 1.192 121 F CB 1.089 40.127 39.000 0.063 0.000 1.185 121 F HN 0.583 nan 8.300 nan 0.000 0.552 122 A N 1.446 124.367 122.820 0.169 0.000 1.892 122 A HA -0.125 4.195 4.320 0.000 0.000 0.218 122 A C 0.238 177.868 177.584 0.077 0.000 1.188 122 A CA 2.292 54.383 52.037 0.090 0.000 0.631 122 A CB -0.829 18.217 19.000 0.077 0.000 0.822 122 A HN 0.849 nan 8.150 nan 0.000 0.447 123 D N -5.279 115.177 120.400 0.094 0.000 2.677 123 D HA 0.388 5.029 4.640 0.000 0.000 0.298 123 D C 0.376 176.674 176.300 -0.004 0.000 1.250 123 D CA -0.114 53.905 54.000 0.032 0.000 0.888 123 D CB 0.628 41.436 40.800 0.013 0.000 1.397 123 D HN -0.131 nan 8.370 nan 0.000 0.461 124 V N -0.210 119.645 119.914 -0.098 0.000 2.343 124 V HA -0.078 4.042 4.120 0.000 0.000 0.247 124 V C -1.046 174.862 176.094 -0.310 0.000 1.051 124 V CA 1.955 64.085 62.300 -0.283 0.000 1.036 124 V CB -1.473 30.118 31.823 -0.387 0.000 0.654 124 V HN 0.558 nan 8.190 nan 0.000 0.451 125 P HA -0.155 nan 4.420 nan 0.000 0.216 125 P C 1.686 178.991 177.300 0.009 0.000 1.150 125 P CA 1.980 65.058 63.100 -0.037 0.000 0.837 125 P CB -0.118 31.586 31.700 0.006 0.000 0.786 126 A N -1.464 121.377 122.820 0.035 0.000 1.898 126 A HA -0.229 4.091 4.320 0.000 0.000 0.216 126 A C 2.273 179.878 177.584 0.036 0.000 1.181 126 A CA 1.377 53.477 52.037 0.107 0.000 0.620 126 A CB -1.886 17.238 19.000 0.206 0.000 0.819 126 A HN 0.138 nan 8.150 nan 0.000 0.442 127 Y N -0.241 119.890 120.300 -0.282 0.000 2.145 127 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 127 Y C 1.917 177.643 175.900 -0.290 0.000 1.145 127 Y CA 1.410 59.080 58.100 -0.717 0.000 1.148 127 Y CB -0.618 37.496 38.460 -0.577 0.000 0.981 127 Y HN 0.278 nan 8.280 nan 0.000 0.507 128 F N 0.024 119.769 119.950 -0.342 0.000 2.234 128 F HA -0.061 4.467 4.527 0.000 0.000 0.299 128 F C 2.644 178.275 175.800 -0.281 0.000 1.087 128 F CA 0.702 58.474 58.000 -0.380 0.000 1.340 128 F CB -1.601 37.279 39.000 -0.201 0.000 1.031 128 F HN 0.185 nan 8.300 nan 0.000 0.500 129 A N -0.026 122.805 122.820 0.018 0.000 1.930 129 A HA -0.004 4.316 4.320 0.000 0.000 0.217 129 A C 2.490 180.052 177.584 -0.037 0.000 1.175 129 A CA 1.674 53.710 52.037 -0.002 0.000 0.627 129 A CB -1.095 17.926 19.000 0.034 0.000 0.815 129 A HN 0.260 nan 8.150 nan 0.000 0.443 130 A N -0.310 122.472 122.820 -0.064 0.000 1.930 130 A HA 0.007 4.327 4.320 0.000 0.000 0.217 130 A C 2.140 179.665 177.584 -0.098 0.000 1.175 130 A CA 1.391 53.414 52.037 -0.023 0.000 0.627 130 A CB -0.535 18.491 19.000 0.042 0.000 0.815 130 A HN 0.463 nan 8.150 nan 0.000 0.443 131 L N -0.522 120.554 121.223 -0.245 0.000 2.093 131 L HA -0.158 4.182 4.340 0.000 0.000 0.208 131 L C 1.896 178.629 176.870 -0.228 0.000 1.085 131 L CA 1.208 55.871 54.840 -0.295 0.000 0.755 131 L CB -0.551 41.202 42.059 -0.511 0.000 0.904 131 L HN 0.315 nan 8.230 nan 0.000 0.435 132 D N 0.183 120.469 120.400 -0.190 0.000 2.178 132 D HA -0.132 4.508 4.640 0.000 0.000 0.202 132 D C 2.171 178.411 176.300 -0.100 0.000 0.974 132 D CA 1.434 55.343 54.000 -0.152 0.000 0.841 132 D CB 0.134 40.864 40.800 -0.116 0.000 0.953 132 D HN 0.324 nan 8.370 nan 0.000 0.478 133 A N 0.124 122.904 122.820 -0.067 0.000 1.930 133 A HA -0.089 4.231 4.320 0.000 0.000 0.215 133 A C 1.527 179.094 177.584 -0.029 0.000 1.176 133 A CA 0.692 52.710 52.037 -0.032 0.000 0.632 133 A CB -0.138 18.862 19.000 0.000 0.000 0.819 133 A HN 0.168 nan 8.150 nan 0.000 0.445 134 Q N 0.948 120.728 119.800 -0.033 0.000 2.788 134 Q HA 0.205 4.546 4.340 0.000 0.000 0.261 134 Q C -0.921 175.044 176.000 -0.058 0.000 1.029 134 Q CA -0.798 54.995 55.803 -0.017 0.000 0.848 134 Q CB 0.311 29.070 28.738 0.034 0.000 1.185 134 Q HN 0.287 nan 8.270 nan 0.000 0.482 135 R N 2.592 123.037 120.500 -0.091 0.000 2.566 135 R HA 0.060 4.400 4.340 0.000 0.000 0.273 135 R C -2.253 173.966 176.300 -0.136 0.000 0.981 135 R CA -0.989 55.023 56.100 -0.147 0.000 1.091 135 R CB -0.353 29.863 30.300 -0.141 0.000 0.924 135 R HN 0.514 nan 8.270 nan 0.000 0.411 136 P HA 0.036 nan 4.420 nan 0.000 0.277 136 P C 0.446 177.660 177.300 -0.143 0.000 1.240 136 P CA -0.425 62.563 63.100 -0.186 0.000 0.798 136 P CB 0.661 32.041 31.700 -0.534 0.000 0.979 137 M N 2.488 122.047 119.600 -0.067 0.000 2.159 137 M HA -0.023 4.457 4.480 0.000 0.000 0.263 137 M C 0.884 177.096 176.300 -0.147 0.000 1.063 137 M CA 1.639 56.880 55.300 -0.099 0.000 1.110 137 M CB -0.779 31.759 32.600 -0.102 0.000 1.374 137 M HN 0.433 nan 8.290 nan 0.000 0.411 138 I N -3.297 117.172 120.570 -0.169 0.000 3.206 138 I HA 0.450 4.620 4.170 0.000 0.000 0.313 138 I C -0.733 175.212 176.117 -0.287 0.000 1.103 138 I CA -1.293 59.879 61.300 -0.214 0.000 0.985 138 I CB 1.524 39.401 38.000 -0.205 0.000 1.240 138 I HN -0.069 nan 8.210 nan 0.000 0.464 139 N N 0.852 119.358 118.700 -0.324 0.000 2.479 139 N HA 0.422 5.162 4.740 0.000 0.000 0.257 139 N C -1.129 174.135 175.510 -0.411 0.000 1.232 139 N CA -0.263 52.540 53.050 -0.412 0.000 0.920 139 N CB 1.336 39.548 38.487 -0.458 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.444 140 V N 0.766 120.392 119.914 -0.480 0.000 2.577 140 V HA 0.707 4.827 4.120 0.000 0.000 0.303 140 V C -0.481 175.408 176.094 -0.341 0.000 1.042 140 V CA -0.814 61.235 62.300 -0.419 0.000 0.872 140 V CB 1.381 32.808 31.823 -0.660 0.000 0.998 140 V HN 0.796 nan 8.190 nan 0.000 0.423 141 A N 3.644 126.365 122.820 -0.166 0.000 2.350 141 A HA 1.014 5.334 4.320 0.000 0.000 0.324 141 A C -0.246 177.437 177.584 0.166 0.000 1.118 141 A CA -0.301 51.742 52.037 0.010 0.000 0.783 141 A CB 1.734 20.842 19.000 0.181 0.000 1.236 141 A HN 1.472 nan 8.150 nan 0.000 0.457 142 A N 1.752 124.760 122.820 0.313 0.000 2.393 142 A HA 0.739 5.059 4.320 0.000 0.000 0.306 142 A C -0.889 176.879 177.584 0.307 0.000 1.050 142 A CA -0.413 51.840 52.037 0.361 0.000 0.724 142 A CB 0.837 20.176 19.000 0.565 0.000 1.248 142 A HN 0.799 nan 8.150 nan 0.000 0.424 143 L N 1.478 122.842 121.223 0.235 0.000 2.344 143 L HA 0.657 4.997 4.340 0.000 0.000 0.272 143 L C -0.019 176.959 176.870 0.179 0.000 1.035 143 L CA -0.975 53.994 54.840 0.216 0.000 0.807 143 L CB 1.814 43.987 42.059 0.190 0.000 1.237 143 L HN 0.503 nan 8.230 nan 0.000 0.442 144 V N 1.287 121.319 119.914 0.196 0.000 2.427 144 V HA 0.651 4.772 4.120 0.000 0.000 0.286 144 V C 0.359 176.585 176.094 0.220 0.000 1.034 144 V CA -0.284 62.110 62.300 0.157 0.000 0.893 144 V CB 1.506 33.406 31.823 0.129 0.000 0.982 144 V HN 0.772 nan 8.190 nan 0.000 0.452 145 G N 3.455 112.358 108.800 0.171 0.000 2.390 145 G HA2 0.230 4.191 3.960 0.000 0.000 0.270 145 G HA3 0.230 4.191 3.960 0.000 0.000 0.270 145 G C 0.444 175.492 174.900 0.246 0.000 1.211 145 G CA 0.200 45.428 45.100 0.213 0.000 0.842 145 G HN 1.112 nan 8.290 nan 0.000 0.519 146 H N 2.490 121.702 119.070 0.236 0.000 2.421 146 H HA -0.071 4.485 4.556 0.000 0.000 0.298 146 H C 2.398 177.803 175.328 0.129 0.000 1.087 146 H CA 2.277 58.450 56.048 0.208 0.000 1.330 146 H CB 0.152 30.084 29.762 0.283 0.000 1.388 146 H HN 0.482 nan 8.280 nan 0.000 0.526 147 A N 0.646 123.464 122.820 -0.003 0.000 1.902 147 A HA -0.199 4.121 4.320 0.000 0.000 0.217 147 A C 2.321 179.864 177.584 -0.069 0.000 1.181 147 A CA 1.552 53.534 52.037 -0.091 0.000 0.623 147 A CB -0.559 18.449 19.000 0.012 0.000 0.818 147 A HN 0.661 nan 8.150 nan 0.000 0.443 148 N N 0.048 118.746 118.700 -0.004 0.000 2.104 148 N HA -0.129 4.611 4.740 0.000 0.000 0.190 148 N C 1.753 177.252 175.510 -0.018 0.000 1.024 148 N CA 1.567 54.615 53.050 -0.004 0.000 0.853 148 N CB -0.321 38.177 38.487 0.018 0.000 1.008 148 N HN 0.473 nan 8.380 nan 0.000 0.424 149 L N 1.005 122.221 121.223 -0.012 0.000 2.017 149 L HA -0.142 4.198 4.340 0.000 0.000 0.208 149 L C 2.644 179.482 176.870 -0.053 0.000 1.073 149 L CA 1.168 55.999 54.840 -0.015 0.000 0.745 149 L CB -0.391 41.687 42.059 0.030 0.000 0.894 149 L HN 0.123 nan 8.230 nan 0.000 0.432 150 R N 0.090 120.514 120.500 -0.128 0.000 2.081 150 R HA -0.112 4.229 4.340 0.000 0.000 0.235 150 R C 2.290 178.550 176.300 -0.066 0.000 1.131 150 R CA 1.204 57.234 56.100 -0.117 0.000 0.960 150 R CB -0.332 29.848 30.300 -0.199 0.000 0.856 150 R HN 0.340 nan 8.270 nan 0.000 0.436 151 L N -0.294 120.892 121.223 -0.062 0.000 2.275 151 L HA -0.083 4.257 4.340 0.000 0.000 0.215 151 L C 2.385 179.239 176.870 -0.026 0.000 1.119 151 L CA 0.905 55.723 54.840 -0.037 0.000 0.790 151 L CB -0.312 41.728 42.059 -0.033 0.000 0.919 151 L HN 0.228 nan 8.230 nan 0.000 0.443 152 A N -0.623 122.182 122.820 -0.024 0.000 2.044 152 A HA 0.263 4.583 4.320 0.000 0.000 0.213 152 A C 2.297 179.873 177.584 -0.014 0.000 1.169 152 A CA 1.028 53.055 52.037 -0.015 0.000 0.724 152 A CB -0.148 18.846 19.000 -0.011 0.000 0.840 152 A HN 0.315 nan 8.150 nan 0.000 0.463 153 A N -1.093 121.717 122.820 -0.017 0.000 2.085 153 A HA 0.508 4.828 4.320 0.000 0.000 0.208 153 A C 0.891 178.468 177.584 -0.011 0.000 1.191 153 A CA 0.132 52.161 52.037 -0.013 0.000 0.799 153 A CB -0.068 18.925 19.000 -0.013 0.000 0.877 153 A HN 0.423 nan 8.150 nan 0.000 0.473 154 M N 0.013 119.604 119.600 -0.015 0.000 2.101 154 M HA 0.352 4.832 4.480 0.000 0.000 0.340 154 M C 0.587 176.881 176.300 -0.009 0.000 1.057 154 M CA -0.393 54.900 55.300 -0.011 0.000 0.984 154 M CB 1.717 34.310 32.600 -0.012 0.000 1.560 154 M HN 0.174 nan 8.290 nan 0.000 0.435 155 R N 0.547 121.044 120.500 -0.006 0.000 2.193 155 R HA -0.098 4.242 4.340 0.000 0.000 0.229 155 R C 0.019 176.317 176.300 -0.004 0.000 1.110 155 R CA 0.977 57.074 56.100 -0.005 0.000 0.988 155 R CB 0.000 30.299 30.300 -0.003 0.000 0.871 155 R HN 0.559 nan 8.270 nan 0.000 0.458 156 D N -0.260 120.139 120.400 -0.003 0.000 2.404 156 D HA 0.117 4.757 4.640 0.000 0.000 0.267 156 D C -1.987 174.312 176.300 -0.001 0.000 1.194 156 D CA -2.466 51.534 54.000 -0.001 0.000 0.910 156 D CB 1.351 42.152 40.800 0.003 0.000 1.090 156 D HN -0.117 nan 8.370 nan 0.000 0.511 157 P HA -0.073 nan 4.420 nan 0.000 0.239 157 P C 0.579 177.878 177.300 -0.001 0.000 1.184 157 P CA 0.497 63.590 63.100 -0.011 0.000 0.760 157 P CB 0.539 32.227 31.700 -0.021 0.000 0.884 158 Q N -1.087 118.717 119.800 0.007 0.000 2.282 158 Q HA 0.294 4.634 4.340 0.000 0.000 0.206 158 Q C 0.997 177.007 176.000 0.018 0.000 0.878 158 Q CA -0.133 55.679 55.803 0.015 0.000 0.944 158 Q CB 0.749 29.496 28.738 0.015 0.000 1.100 158 Q HN 0.204 nan 8.270 nan 0.000 0.509 159 A N 0.490 123.319 122.820 0.014 0.000 2.263 159 A HA 0.791 5.111 4.320 0.000 0.000 0.318 159 A C -0.430 177.166 177.584 0.020 0.000 1.111 159 A CA -0.226 51.820 52.037 0.016 0.000 0.901 159 A CB 0.562 19.569 19.000 0.011 0.000 1.280 159 A HN 0.167 nan 8.150 nan 0.000 0.503 160 A N 1.224 124.056 122.820 0.020 0.000 2.363 160 A HA 0.628 4.948 4.320 0.000 0.000 0.270 160 A C -2.195 175.400 177.584 0.019 0.000 1.121 160 A CA -1.406 50.645 52.037 0.023 0.000 0.800 160 A CB -0.416 18.597 19.000 0.020 0.000 1.052 160 A HN 0.620 nan 8.150 nan 0.000 0.493 161 P HA 0.177 nan 4.420 nan 0.000 0.271 161 P C 0.309 177.615 177.300 0.010 0.000 1.216 161 P CA 0.077 63.186 63.100 0.015 0.000 0.776 161 P CB 0.637 32.349 31.700 0.020 0.000 0.881 162 T N -0.952 113.606 114.554 0.006 0.000 2.766 162 T HA 0.319 4.669 4.350 0.000 0.000 0.295 162 T C 1.585 176.286 174.700 0.002 0.000 1.024 162 T CA -0.011 62.092 62.100 0.004 0.000 1.018 162 T CB 0.279 69.148 68.868 0.003 0.000 1.002 162 T HN 0.406 nan 8.240 nan 0.000 0.532 163 A N 0.911 123.731 122.820 0.001 0.000 1.908 163 A HA 0.133 4.453 4.320 0.000 0.000 0.218 163 A C 2.668 180.250 177.584 -0.003 0.000 1.181 163 A CA 1.936 53.972 52.037 -0.001 0.000 0.627 163 A CB -1.593 17.406 19.000 -0.002 0.000 0.818 163 A HN 1.248 nan 8.150 nan 0.000 0.445 164 A N -0.351 122.467 122.820 -0.003 0.000 1.933 164 A HA -0.156 4.164 4.320 0.000 0.000 0.218 164 A C 1.911 179.493 177.584 -0.005 0.000 1.175 164 A CA 1.615 53.649 52.037 -0.004 0.000 0.628 164 A CB -0.470 18.528 19.000 -0.003 0.000 0.814 164 A HN 0.653 nan 8.150 nan 0.000 0.444 165 E N -1.023 119.175 120.200 -0.003 0.000 2.106 165 E HA -0.224 4.126 4.350 0.000 0.000 0.192 165 E C 2.218 178.815 176.600 -0.004 0.000 0.984 165 E CA 1.244 57.642 56.400 -0.003 0.000 0.806 165 E CB -0.106 29.595 29.700 0.000 0.000 0.750 165 E HN 0.690 nan 8.360 nan 0.000 0.458 166 Q N 1.198 120.997 119.800 -0.003 0.000 2.050 166 Q HA -0.248 4.093 4.340 0.000 0.000 0.202 166 Q C 2.064 178.053 176.000 -0.018 0.000 0.980 166 Q CA 1.805 57.604 55.803 -0.007 0.000 0.840 166 Q CB -0.168 28.566 28.738 -0.007 0.000 0.898 166 Q HN 0.069 nan 8.270 nan 0.000 0.424 167 Q N -0.288 119.502 119.800 -0.016 0.000 2.084 167 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 167 Q C 1.855 177.843 176.000 -0.021 0.000 0.978 167 Q CA 2.103 57.894 55.803 -0.019 0.000 0.844 167 Q CB -0.754 27.976 28.738 -0.014 0.000 0.898 167 Q HN 0.460 nan 8.270 nan 0.000 0.426 168 A N 0.065 122.876 122.820 -0.015 0.000 1.902 168 A HA -0.187 4.133 4.320 0.000 0.000 0.217 168 A C 2.141 179.713 177.584 -0.020 0.000 1.181 168 A CA 1.808 53.837 52.037 -0.014 0.000 0.623 168 A CB -0.583 18.411 19.000 -0.010 0.000 0.818 168 A HN 0.514 nan 8.150 nan 0.000 0.443 169 M N -1.113 118.475 119.600 -0.021 0.000 2.159 169 M HA -0.215 4.265 4.480 0.000 0.000 0.263 169 M C 2.434 178.701 176.300 -0.054 0.000 1.063 169 M CA 1.601 56.885 55.300 -0.026 0.000 1.110 169 M CB -0.457 32.138 32.600 -0.009 0.000 1.374 169 M HN 0.511 nan 8.290 nan 0.000 0.411 170 Q N 0.270 120.033 119.800 -0.062 0.000 2.079 170 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 170 Q C 1.578 177.542 176.000 -0.061 0.000 0.974 170 Q CA 1.229 56.982 55.803 -0.084 0.000 0.840 170 Q CB -0.067 28.628 28.738 -0.072 0.000 0.898 170 Q HN 0.472 nan 8.270 nan 0.000 0.430 171 D N 0.161 120.537 120.400 -0.039 0.000 2.178 171 D HA -0.116 4.524 4.640 0.000 0.000 0.202 171 D C 1.792 178.078 176.300 -0.022 0.000 0.974 171 D CA 1.075 55.060 54.000 -0.026 0.000 0.841 171 D CB -0.043 40.747 40.800 -0.017 0.000 0.953 171 D HN 0.285 nan 8.370 nan 0.000 0.478 172 M N -0.059 119.526 119.600 -0.024 0.000 2.175 172 M HA -0.124 4.356 4.480 0.000 0.000 0.264 172 M C 2.110 178.398 176.300 -0.020 0.000 1.063 172 M CA 0.735 56.025 55.300 -0.018 0.000 1.119 172 M CB -0.065 32.526 32.600 -0.015 0.000 1.377 172 M HN 0.027 nan 8.290 nan 0.000 0.415 173 L N 0.549 121.747 121.223 -0.041 0.000 2.056 173 L HA -0.200 4.141 4.340 0.000 0.000 0.207 173 L C 2.360 179.218 176.870 -0.021 0.000 1.078 173 L CA 1.930 56.742 54.840 -0.047 0.000 0.749 173 L CB -0.916 41.056 42.059 -0.144 0.000 0.901 173 L HN 0.334 nan 8.230 nan 0.000 0.433 174 Q N -0.660 119.123 119.800 -0.028 0.000 2.096 174 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 174 Q C 2.122 178.126 176.000 0.007 0.000 0.982 174 Q CA 2.020 57.819 55.803 -0.008 0.000 0.850 174 Q CB -0.228 28.503 28.738 -0.012 0.000 0.901 174 Q HN 0.668 nan 8.270 nan 0.000 0.422 175 A N 0.595 123.416 122.820 0.001 0.000 1.902 175 A HA -0.120 4.200 4.320 0.000 0.000 0.217 175 A C 2.264 179.851 177.584 0.005 0.000 1.181 175 A CA 1.675 53.715 52.037 0.004 0.000 0.623 175 A CB -0.963 18.037 19.000 -0.002 0.000 0.818 175 A HN 0.564 nan 8.150 nan 0.000 0.443 176 A N -0.204 122.617 122.820 0.001 0.000 1.902 176 A HA -0.026 4.295 4.320 0.000 0.000 0.217 176 A C 2.160 179.765 177.584 0.036 0.000 1.181 176 A CA 1.475 53.508 52.037 -0.006 0.000 0.623 176 A CB -0.589 18.415 19.000 0.007 0.000 0.818 176 A HN 0.476 nan 8.150 nan 0.000 0.443 177 L N -0.684 120.574 121.223 0.059 0.000 2.093 177 L HA -0.181 4.159 4.340 0.000 0.000 0.208 177 L C 2.485 179.407 176.870 0.087 0.000 1.085 177 L CA 1.515 56.409 54.840 0.089 0.000 0.755 177 L CB -0.693 41.414 42.059 0.080 0.000 0.904 177 L HN 0.474 nan 8.230 nan 0.000 0.435 178 E N 0.388 120.625 120.200 0.062 0.000 2.204 178 E HA -0.160 4.190 4.350 0.000 0.000 0.194 178 E C 2.154 178.802 176.600 0.079 0.000 0.989 178 E CA 0.987 57.423 56.400 0.061 0.000 0.824 178 E CB -0.090 29.634 29.700 0.041 0.000 0.756 178 E HN 0.490 nan 8.360 nan 0.000 0.477 179 A N 0.236 123.103 122.820 0.078 0.000 2.167 179 A HA 0.196 4.516 4.320 0.000 0.000 0.214 179 A C 1.795 179.534 177.584 0.258 0.000 1.151 179 A CA 1.062 53.163 52.037 0.107 0.000 0.735 179 A CB 0.031 19.029 19.000 -0.003 0.000 0.802 179 A HN 0.358 nan 8.150 nan 0.000 0.467 180 G N -2.588 106.364 108.800 0.252 0.000 2.227 180 G HA2 0.225 4.185 3.960 0.000 0.000 0.168 180 G HA3 0.225 4.185 3.960 0.000 0.000 0.168 180 G C 0.368 175.512 174.900 0.406 0.000 1.006 180 G CA 0.010 45.321 45.100 0.352 0.000 0.684 180 G HN 1.390 nan 8.290 nan 0.000 0.489 181 A N 0.585 123.592 122.820 0.312 0.000 2.498 181 A HA 0.580 4.901 4.320 0.000 0.000 0.239 181 A C 1.827 179.566 177.584 0.259 0.000 1.068 181 A CA 0.726 52.938 52.037 0.292 0.000 0.766 181 A CB 0.613 19.716 19.000 0.172 0.000 1.003 181 A HN 1.577 nan 8.150 nan 0.000 0.497 182 V N 0.640 120.725 119.914 0.284 0.000 3.573 182 V HA 0.524 4.644 4.120 0.000 0.000 0.270 182 V C 0.917 177.138 176.094 0.212 0.000 1.221 182 V CA 0.955 63.409 62.300 0.257 0.000 1.163 182 V CB -1.598 30.432 31.823 0.346 0.000 0.847 182 V HN 2.015 nan 8.190 nan 0.000 0.468 183 G N 0.408 109.346 108.800 0.230 0.000 2.350 183 G HA2 0.350 4.310 3.960 0.000 0.000 0.276 183 G HA3 0.350 4.310 3.960 0.000 0.000 0.276 183 G C -1.198 173.900 174.900 0.331 0.000 1.313 183 G CA -0.409 44.843 45.100 0.253 0.000 0.903 183 G HN 0.935 nan 8.290 nan 0.000 0.490 184 F N 0.061 120.093 119.950 0.137 0.000 2.593 184 F HA 0.903 5.430 4.527 0.000 0.000 0.320 184 F C 0.057 175.985 175.800 0.214 0.000 1.060 184 F CA -0.482 57.608 58.000 0.150 0.000 0.940 184 F CB 2.308 41.374 39.000 0.110 0.000 1.268 184 F HN 0.954 nan 8.300 nan 0.000 0.475 185 S N 0.536 116.322 115.700 0.143 0.000 2.566 185 S HA 0.855 5.325 4.470 0.000 0.000 0.298 185 S C -0.772 173.965 174.600 0.228 0.000 1.083 185 S CA -0.278 57.962 58.200 0.067 0.000 0.978 185 S CB 1.583 64.858 63.200 0.124 0.000 1.073 185 S HN 1.058 nan 8.310 nan 0.000 0.491 186 T N -1.793 112.889 114.554 0.213 0.000 2.908 186 T HA 0.792 5.142 4.350 0.000 0.000 0.290 186 T C 0.087 174.964 174.700 0.296 0.000 1.034 186 T CA -0.775 61.512 62.100 0.312 0.000 1.010 186 T CB 1.499 70.550 68.868 0.305 0.000 1.068 186 T HN 1.193 nan 8.240 nan 0.000 0.481 187 G N 1.521 110.507 108.800 0.310 0.000 4.465 187 G HA2 0.462 4.422 3.960 0.000 0.000 0.330 187 G HA3 0.462 4.422 3.960 0.000 0.000 0.330 187 G C 0.554 175.523 174.900 0.116 0.000 1.475 187 G CA -0.699 44.541 45.100 0.234 0.000 0.955 187 G HN 0.788 nan 8.290 nan 0.000 0.516 188 L N 0.729 122.007 121.223 0.092 0.000 2.456 188 L HA -0.006 4.334 4.340 0.000 0.000 0.224 188 L C 2.610 179.457 176.870 -0.037 0.000 1.148 188 L CA 1.013 55.896 54.840 0.072 0.000 0.825 188 L CB 0.084 42.202 42.059 0.098 0.000 0.937 188 L HN 0.518 nan 8.230 nan 0.000 0.450 189 A N -1.444 121.222 122.820 -0.256 0.000 2.218 189 A HA 0.100 4.421 4.320 0.000 0.000 0.209 189 A C 0.227 177.576 177.584 -0.391 0.000 1.168 189 A CA 0.288 52.104 52.037 -0.368 0.000 0.804 189 A CB -0.072 18.612 19.000 -0.526 0.000 0.834 189 A HN 0.234 nan 8.150 nan 0.000 0.482 190 Y N -0.670 119.597 120.300 -0.056 0.000 2.587 190 Y HA 0.541 5.091 4.550 0.000 0.000 0.337 190 Y C 0.278 176.183 175.900 0.009 0.000 1.065 190 Y CA -1.623 56.459 58.100 -0.030 0.000 1.126 190 Y CB 0.702 39.133 38.460 -0.048 0.000 1.279 190 Y HN 0.058 nan 8.280 nan 0.000 0.489 191 Q N 3.215 123.135 119.800 0.200 0.000 2.299 191 Q HA 0.239 4.579 4.340 0.000 0.000 0.246 191 Q C -1.844 174.209 176.000 0.089 0.000 0.935 191 Q CA -1.842 54.027 55.803 0.110 0.000 0.887 191 Q CB 1.216 30.000 28.738 0.077 0.000 1.223 191 Q HN 0.445 nan 8.270 nan 0.000 0.439 192 P HA 0.056 nan 4.420 nan 0.000 0.257 192 P C 0.905 178.234 177.300 0.049 0.000 1.241 192 P CA 0.354 63.472 63.100 0.030 0.000 0.816 192 P CB 0.369 32.061 31.700 -0.013 0.000 1.150 193 G N 1.576 110.427 108.800 0.085 0.000 2.450 193 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 193 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 193 G C 1.687 176.716 174.900 0.215 0.000 1.130 193 G CA 0.860 46.090 45.100 0.218 0.000 0.760 193 G HN 0.346 nan 8.290 nan 0.000 0.557 194 A N 0.087 122.989 122.820 0.137 0.000 2.070 194 A HA 0.100 4.420 4.320 0.000 0.000 0.220 194 A C 2.471 180.109 177.584 0.089 0.000 1.159 194 A CA 1.625 53.720 52.037 0.097 0.000 0.656 194 A CB -0.306 18.732 19.000 0.064 0.000 0.800 194 A HN 0.288 nan 8.150 nan 0.000 0.453 195 V N -0.174 119.796 119.914 0.093 0.000 2.667 195 V HA 0.010 4.130 4.120 0.000 0.000 0.252 195 V C 1.702 177.849 176.094 0.088 0.000 1.065 195 V CA 0.547 62.892 62.300 0.075 0.000 1.083 195 V CB -1.444 30.415 31.823 0.059 0.000 0.692 195 V HN 0.610 nan 8.190 nan 0.000 0.468 196 A N 0.427 123.330 122.820 0.137 0.000 2.498 196 A HA 0.272 4.593 4.320 0.000 0.000 0.239 196 A C 0.282 177.913 177.584 0.080 0.000 1.068 196 A CA 0.212 52.332 52.037 0.138 0.000 0.766 196 A CB 0.057 19.198 19.000 0.234 0.000 1.003 196 A HN 0.583 nan 8.150 nan 0.000 0.497 197 Q N 0.427 120.260 119.800 0.055 0.000 2.240 197 Q HA 0.564 4.904 4.340 0.000 0.000 0.260 197 Q C 1.374 177.386 176.000 0.021 0.000 1.018 197 Q CA -0.371 55.453 55.803 0.035 0.000 0.898 197 Q CB 1.614 30.370 28.738 0.029 0.000 1.301 197 Q HN 0.843 nan 8.270 nan 0.000 0.469 198 A N 0.866 123.695 122.820 0.016 0.000 1.903 198 A HA -0.293 4.027 4.320 0.000 0.000 0.219 198 A C 2.073 179.655 177.584 -0.003 0.000 1.191 198 A CA 2.513 54.554 52.037 0.008 0.000 0.638 198 A CB -1.292 17.715 19.000 0.011 0.000 0.823 198 A HN 0.844 nan 8.150 nan 0.000 0.451 199 A N -0.638 122.182 122.820 0.000 0.000 1.917 199 A HA -0.240 4.080 4.320 0.000 0.000 0.219 199 A C 2.071 179.645 177.584 -0.016 0.000 1.182 199 A CA 2.053 54.087 52.037 -0.006 0.000 0.633 199 A CB -0.576 18.424 19.000 -0.001 0.000 0.819 199 A HN 0.745 nan 8.150 nan 0.000 0.448 200 E N -0.159 120.036 120.200 -0.009 0.000 2.047 200 E HA -0.141 4.209 4.350 0.000 0.000 0.191 200 E C 1.954 178.516 176.600 -0.063 0.000 0.987 200 E CA 1.112 57.505 56.400 -0.013 0.000 0.799 200 E CB -0.217 29.502 29.700 0.032 0.000 0.752 200 E HN 0.634 nan 8.360 nan 0.000 0.449 201 L N 0.595 121.773 121.223 -0.075 0.000 2.093 201 L HA -0.146 4.194 4.340 0.000 0.000 0.208 201 L C 2.403 179.216 176.870 -0.095 0.000 1.085 201 L CA 1.279 56.045 54.840 -0.123 0.000 0.755 201 L CB -0.412 41.590 42.059 -0.095 0.000 0.904 201 L HN 0.163 nan 8.230 nan 0.000 0.435 202 E N 0.291 120.458 120.200 -0.055 0.000 2.106 202 E HA -0.136 4.214 4.350 0.000 0.000 0.192 202 E C 2.286 178.851 176.600 -0.058 0.000 0.984 202 E CA 0.945 57.323 56.400 -0.038 0.000 0.806 202 E CB -0.298 29.391 29.700 -0.018 0.000 0.750 202 E HN 0.539 nan 8.360 nan 0.000 0.458 203 G N 1.449 110.206 108.800 -0.071 0.000 2.440 203 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 203 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 203 G C 1.583 176.401 174.900 -0.138 0.000 1.154 203 G CA 0.550 45.602 45.100 -0.081 0.000 0.767 203 G HN 0.078 nan 8.290 nan 0.000 0.552 204 L N 0.536 121.623 121.223 -0.227 0.000 2.056 204 L HA 0.018 4.358 4.340 0.000 0.000 0.207 204 L C 3.395 180.016 176.870 -0.414 0.000 1.078 204 L CA 0.915 55.483 54.840 -0.454 0.000 0.749 204 L CB -0.422 41.172 42.059 -0.775 0.000 0.901 204 L HN 0.294 nan 8.230 nan 0.000 0.433 205 A N 0.045 122.765 122.820 -0.166 0.000 1.972 205 A HA -0.189 4.131 4.320 0.000 0.000 0.219 205 A C 2.379 179.984 177.584 0.035 0.000 1.169 205 A CA 1.326 53.412 52.037 0.082 0.000 0.635 205 A CB -0.443 18.611 19.000 0.092 0.000 0.810 205 A HN 0.328 nan 8.150 nan 0.000 0.446 206 R N -0.770 119.715 120.500 -0.024 0.000 2.092 206 R HA -0.052 4.288 4.340 0.000 0.000 0.231 206 R C 2.009 178.299 176.300 -0.017 0.000 1.119 206 R CA 1.341 57.433 56.100 -0.013 0.000 0.970 206 R CB -0.520 29.766 30.300 -0.024 0.000 0.864 206 R HN 0.411 nan 8.270 nan 0.000 0.440 207 V N 1.119 121.001 119.914 -0.054 0.000 2.343 207 V HA -0.238 3.882 4.120 0.000 0.000 0.247 207 V C 2.467 178.558 176.094 -0.005 0.000 1.051 207 V CA 2.035 64.306 62.300 -0.048 0.000 1.036 207 V CB -0.655 31.108 31.823 -0.099 0.000 0.654 207 V HN 0.382 nan 8.190 nan 0.000 0.451 208 A N -0.144 122.690 122.820 0.023 0.000 1.898 208 A HA -0.034 4.286 4.320 0.000 0.000 0.216 208 A C 2.416 180.054 177.584 0.089 0.000 1.181 208 A CA 1.851 53.955 52.037 0.112 0.000 0.620 208 A CB -0.732 18.442 19.000 0.291 0.000 0.819 208 A HN 0.550 nan 8.150 nan 0.000 0.442 209 A N -0.127 122.737 122.820 0.074 0.000 1.902 209 A HA -0.201 4.120 4.320 0.000 0.000 0.217 209 A C 2.009 179.613 177.584 0.033 0.000 1.181 209 A CA 1.826 53.893 52.037 0.050 0.000 0.623 209 A CB -0.580 18.445 19.000 0.041 0.000 0.818 209 A HN 0.684 nan 8.150 nan 0.000 0.443 210 E N -0.227 119.989 120.200 0.026 0.000 2.160 210 E HA -0.188 4.162 4.350 0.000 0.000 0.195 210 E C 1.596 178.210 176.600 0.024 0.000 0.991 210 E CA 1.083 57.495 56.400 0.019 0.000 0.810 210 E CB -0.041 29.666 29.700 0.011 0.000 0.742 210 E HN 0.609 nan 8.360 nan 0.000 0.466 211 R N -0.247 120.273 120.500 0.033 0.000 2.427 211 R HA 0.257 4.597 4.340 0.000 0.000 0.262 211 R C -0.145 176.180 176.300 0.042 0.000 0.943 211 R CA -0.057 56.066 56.100 0.039 0.000 1.081 211 R CB 0.300 30.628 30.300 0.047 0.000 1.166 211 R HN 0.056 nan 8.270 nan 0.000 0.534 212 R N 1.248 121.769 120.500 0.035 0.000 3.336 212 R HA -0.165 4.175 4.340 0.000 0.000 0.260 212 R C -0.497 175.820 176.300 0.029 0.000 1.032 212 R CA 0.608 56.723 56.100 0.026 0.000 0.693 212 R CB -1.054 29.256 30.300 0.018 0.000 1.134 212 R HN 0.090 nan 8.270 nan 0.000 0.433 213 R N 0.152 120.684 120.500 0.053 0.000 2.875 213 R HA 0.553 4.893 4.340 0.000 0.000 0.251 213 R C 0.542 176.879 176.300 0.063 0.000 1.123 213 R CA -0.993 55.148 56.100 0.069 0.000 1.064 213 R CB 0.602 30.973 30.300 0.119 0.000 1.205 213 R HN 0.032 nan 8.270 nan 0.000 0.503 214 L N 0.319 121.569 121.223 0.046 0.000 2.416 214 L HA 0.369 4.709 4.340 0.000 0.000 0.262 214 L C 0.519 177.396 176.870 0.012 0.000 1.093 214 L CA -0.438 54.392 54.840 -0.017 0.000 0.801 214 L CB 0.784 42.750 42.059 -0.154 0.000 1.191 214 L HN 0.465 nan 8.230 nan 0.000 0.459 215 H N 0.822 119.745 119.070 -0.246 0.000 2.860 215 H HA 0.318 4.875 4.556 0.000 0.000 0.312 215 H C -1.164 173.931 175.328 -0.389 0.000 0.995 215 H CA -0.727 54.968 56.048 -0.589 0.000 1.311 215 H CB 1.222 30.700 29.762 -0.473 0.000 1.478 215 H HN 0.698 nan 8.280 nan 0.000 0.508 216 T N 1.932 116.240 114.554 -0.410 0.000 2.867 216 T HA 0.418 4.768 4.350 0.000 0.000 0.282 216 T C -0.186 174.274 174.700 -0.399 0.000 1.000 216 T CA -0.914 60.986 62.100 -0.333 0.000 1.042 216 T CB 1.845 70.672 68.868 -0.067 0.000 0.973 216 T HN 0.417 nan 8.240 nan 0.000 0.465 217 S N 0.949 116.437 115.700 -0.354 0.000 2.575 217 S HA 0.339 4.810 4.470 0.000 0.000 0.278 217 S C -1.330 173.249 174.600 -0.034 0.000 1.139 217 S CA -0.833 57.250 58.200 -0.195 0.000 0.954 217 S CB 0.854 63.852 63.200 -0.337 0.000 1.054 217 S HN 1.008 nan 8.310 nan 0.000 0.483 218 H N 5.987 125.064 119.070 0.012 0.000 2.820 218 H HA 0.515 5.072 4.556 0.000 0.000 0.278 218 H C 0.791 176.157 175.328 0.063 0.000 1.142 218 H CA -0.945 55.152 56.048 0.082 0.000 1.346 218 H CB 0.159 30.085 29.762 0.274 0.000 1.438 218 H HN 0.715 nan 8.280 nan 0.000 0.473 219 I N 1.266 121.963 120.570 0.212 0.000 3.246 219 I HA 0.032 4.203 4.170 0.000 0.000 0.280 219 I C 1.729 177.953 176.117 0.179 0.000 1.239 219 I CA -0.470 60.921 61.300 0.152 0.000 1.336 219 I CB 0.778 38.820 38.000 0.069 0.000 1.383 219 I HN 0.648 nan 8.210 nan 0.000 0.617 220 R N 1.608 122.166 120.500 0.097 0.000 2.103 220 R HA -0.123 4.217 4.340 0.000 0.000 0.242 220 R C 0.421 176.745 176.300 0.039 0.000 1.142 220 R CA 1.665 57.799 56.100 0.056 0.000 0.960 220 R CB 0.011 30.339 30.300 0.046 0.000 0.858 220 R HN 0.920 nan 8.270 nan 0.000 0.439 221 N N -0.754 117.978 118.700 0.052 0.000 2.371 221 N HA 0.022 4.762 4.740 0.000 0.000 0.280 221 N C -1.420 174.117 175.510 0.045 0.000 1.084 221 N CA -0.267 52.803 53.050 0.034 0.000 0.892 221 N CB 1.963 40.460 38.487 0.017 0.000 1.653 221 N HN 0.091 nan 8.380 nan 0.000 0.480 222 E N 1.374 121.592 120.200 0.031 0.000 2.651 222 E HA 0.319 4.669 4.350 0.000 0.000 0.208 222 E C 0.037 176.647 176.600 0.017 0.000 0.997 222 E CA -0.265 56.152 56.400 0.028 0.000 1.020 222 E CB 1.092 30.797 29.700 0.008 0.000 1.052 222 E HN 0.578 nan 8.360 nan 0.000 0.465 223 A N 0.784 123.612 122.820 0.012 0.000 3.044 223 A HA 0.177 4.497 4.320 0.000 0.000 0.200 223 A C 0.798 178.387 177.584 0.007 0.000 1.557 223 A CA -0.110 51.931 52.037 0.008 0.000 1.647 223 A CB -0.252 18.740 19.000 -0.012 0.000 1.580 223 A HN -0.044 nan 8.150 nan 0.000 0.503 224 D N 0.486 120.882 120.400 -0.005 0.000 2.182 224 D HA -0.013 4.627 4.640 0.000 0.000 0.201 224 D C 1.427 177.730 176.300 0.006 0.000 0.986 224 D CA 1.730 55.727 54.000 -0.005 0.000 0.847 224 D CB -0.297 40.495 40.800 -0.013 0.000 0.942 224 D HN 0.459 nan 8.370 nan 0.000 0.467 225 G N -0.168 108.638 108.800 0.010 0.000 3.523 225 G HA2 0.089 4.049 3.960 0.000 0.000 0.270 225 G HA3 0.089 4.049 3.960 0.000 0.000 0.270 225 G C 1.299 176.217 174.900 0.029 0.000 1.134 225 G CA -0.170 44.941 45.100 0.017 0.000 0.825 225 G HN 0.188 nan 8.290 nan 0.000 0.534 226 V N 0.224 120.160 119.914 0.036 0.000 2.332 226 V HA -0.166 3.954 4.120 0.000 0.000 0.248 226 V C 2.438 178.571 176.094 0.066 0.000 1.055 226 V CA 2.596 64.931 62.300 0.058 0.000 1.038 226 V CB -0.056 31.804 31.823 0.061 0.000 0.651 226 V HN 0.556 nan 8.190 nan 0.000 0.450 227 E N 0.026 120.257 120.200 0.051 0.000 2.072 227 E HA -0.144 4.206 4.350 0.000 0.000 0.191 227 E C 2.272 178.891 176.600 0.031 0.000 0.985 227 E CA 1.264 57.691 56.400 0.045 0.000 0.801 227 E CB -0.360 29.361 29.700 0.035 0.000 0.750 227 E HN 0.698 nan 8.360 nan 0.000 0.452 228 A N 1.389 124.225 122.820 0.027 0.000 1.969 228 A HA -0.041 4.279 4.320 0.000 0.000 0.218 228 A C 2.352 179.950 177.584 0.024 0.000 1.169 228 A CA 1.449 53.499 52.037 0.022 0.000 0.635 228 A CB -0.443 18.569 19.000 0.020 0.000 0.810 228 A HN 0.279 nan 8.150 nan 0.000 0.445 229 A N -0.554 122.284 122.820 0.031 0.000 1.930 229 A HA 0.029 4.349 4.320 0.000 0.000 0.217 229 A C 2.206 179.802 177.584 0.020 0.000 1.175 229 A CA 1.711 53.768 52.037 0.034 0.000 0.627 229 A CB -0.788 18.241 19.000 0.048 0.000 0.815 229 A HN 0.345 nan 8.150 nan 0.000 0.443 230 V N 0.092 120.013 119.914 0.012 0.000 2.307 230 V HA -0.211 3.909 4.120 0.000 0.000 0.245 230 V C 2.612 178.688 176.094 -0.030 0.000 1.045 230 V CA 2.331 64.610 62.300 -0.034 0.000 1.024 230 V CB -0.639 31.154 31.823 -0.050 0.000 0.651 230 V HN 0.727 nan 8.190 nan 0.000 0.449 231 E N 0.832 121.027 120.200 -0.009 0.000 2.118 231 E HA -0.274 4.076 4.350 0.000 0.000 0.195 231 E C 2.145 178.747 176.600 0.003 0.000 0.992 231 E CA 1.960 58.358 56.400 -0.004 0.000 0.804 231 E CB -0.327 29.376 29.700 0.004 0.000 0.741 231 E HN 0.698 nan 8.360 nan 0.000 0.458 232 E N -0.263 119.944 120.200 0.012 0.000 2.058 232 E HA -0.182 4.169 4.350 0.000 0.000 0.194 232 E C 2.008 178.629 176.600 0.034 0.000 0.997 232 E CA 2.111 58.526 56.400 0.024 0.000 0.801 232 E CB -0.074 29.646 29.700 0.033 0.000 0.746 232 E HN 0.298 nan 8.360 nan 0.000 0.450 233 V N -0.866 119.065 119.914 0.028 0.000 2.719 233 V HA -0.105 4.015 4.120 0.000 0.000 0.252 233 V C 2.306 178.412 176.094 0.021 0.000 1.065 233 V CA 1.008 63.335 62.300 0.046 0.000 1.086 233 V CB -0.553 31.261 31.823 -0.014 0.000 0.700 233 V HN 0.211 nan 8.190 nan 0.000 0.467 234 L N 0.720 121.937 121.223 -0.010 0.000 2.109 234 L HA 0.034 4.374 4.340 0.000 0.000 0.207 234 L C 3.011 179.884 176.870 0.005 0.000 1.086 234 L CA 1.415 56.245 54.840 -0.016 0.000 0.760 234 L CB -0.785 41.256 42.059 -0.030 0.000 0.910 234 L HN 0.409 nan 8.230 nan 0.000 0.437 235 A N 0.380 123.207 122.820 0.012 0.000 1.933 235 A HA -0.175 4.145 4.320 0.000 0.000 0.218 235 A C 2.194 179.792 177.584 0.024 0.000 1.175 235 A CA 1.420 53.466 52.037 0.015 0.000 0.628 235 A CB -0.598 18.411 19.000 0.016 0.000 0.814 235 A HN 0.354 nan 8.150 nan 0.000 0.444 236 I N -0.408 120.187 120.570 0.041 0.000 2.315 236 I HA -0.185 3.985 4.170 0.000 0.000 0.248 236 I C 2.651 178.800 176.117 0.054 0.000 1.117 236 I CA 1.061 62.391 61.300 0.051 0.000 1.404 236 I CB -0.500 37.549 38.000 0.082 0.000 1.071 236 I HN 0.400 nan 8.210 nan 0.000 0.419 237 G N 0.705 109.538 108.800 0.055 0.000 2.408 237 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 237 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 237 G C 1.811 176.724 174.900 0.021 0.000 1.150 237 G CA 0.300 45.423 45.100 0.039 0.000 0.776 237 G HN 0.293 nan 8.290 nan 0.000 0.542 238 R N 0.019 120.527 120.500 0.014 0.000 2.073 238 R HA -0.001 4.340 4.340 0.000 0.000 0.229 238 R C 2.813 179.120 176.300 0.010 0.000 1.120 238 R CA 0.957 57.062 56.100 0.008 0.000 0.967 238 R CB -0.468 29.835 30.300 0.005 0.000 0.862 238 R HN 0.336 nan 8.270 nan 0.000 0.436 239 G N 0.083 108.891 108.800 0.013 0.000 2.572 239 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 239 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 239 G C 1.280 176.187 174.900 0.011 0.000 1.133 239 G CA 1.228 46.335 45.100 0.011 0.000 0.791 239 G HN 0.465 nan 8.290 nan 0.000 0.538 240 T N -5.084 109.480 114.554 0.018 0.000 2.969 240 T HA 0.383 4.733 4.350 0.000 0.000 0.258 240 T C 1.782 176.495 174.700 0.021 0.000 0.962 240 T CA 0.969 63.080 62.100 0.019 0.000 0.903 240 T CB 0.383 69.267 68.868 0.027 0.000 1.177 240 T HN 1.238 nan 8.240 nan 0.000 0.511 241 G N 0.921 109.733 108.800 0.020 0.000 2.143 241 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 241 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 241 G C 0.357 175.269 174.900 0.021 0.000 0.991 241 G CA -0.042 45.067 45.100 0.015 0.000 0.689 241 G HN 0.910 nan 8.290 nan 0.000 0.522 242 C N 1.683 121.007 119.300 0.039 0.000 2.585 242 C HA 0.695 5.155 4.460 0.000 0.000 0.406 242 C C 1.519 176.526 174.990 0.028 0.000 1.312 242 C CA 0.086 59.139 59.018 0.057 0.000 1.924 242 C CB -0.819 26.989 27.740 0.114 0.000 2.578 242 C HN 1.529 nan 8.230 nan 0.000 0.580 243 A N 5.905 128.725 122.820 -0.001 0.000 2.540 243 A HA 0.491 4.811 4.320 0.000 0.000 0.239 243 A C 0.494 178.032 177.584 -0.076 0.000 1.061 243 A CA 0.549 52.553 52.037 -0.056 0.000 0.758 243 A CB 0.075 19.020 19.000 -0.091 0.000 0.991 243 A HN 0.953 nan 8.150 nan 0.000 0.502 244 T N 1.331 115.815 114.554 -0.117 0.000 2.893 244 T HA 0.586 4.936 4.350 0.000 0.000 0.291 244 T C -0.840 173.726 174.700 -0.223 0.000 1.028 244 T CA -0.417 61.579 62.100 -0.172 0.000 0.995 244 T CB 1.665 70.453 68.868 -0.134 0.000 1.051 244 T HN 0.546 nan 8.240 nan 0.000 0.470 245 V N 2.412 122.161 119.914 -0.275 0.000 2.577 245 V HA 0.386 4.506 4.120 0.000 0.000 0.303 245 V C -0.454 175.501 176.094 -0.232 0.000 1.042 245 V CA -0.831 61.337 62.300 -0.222 0.000 0.872 245 V CB 2.076 33.793 31.823 -0.176 0.000 0.998 245 V HN 0.750 nan 8.190 nan 0.000 0.423 246 V N 4.146 123.934 119.914 -0.210 0.000 2.353 246 V HA 0.264 4.384 4.120 0.000 0.000 0.264 246 V C 0.694 176.679 176.094 -0.181 0.000 1.049 246 V CA -0.051 62.112 62.300 -0.229 0.000 0.896 246 V CB 1.160 32.794 31.823 -0.316 0.000 1.025 246 V HN 0.938 nan 8.190 nan 0.000 0.475 247 S N 4.005 119.572 115.700 -0.223 0.000 2.572 247 S HA 0.189 4.659 4.470 0.000 0.000 0.279 247 S C 0.561 174.848 174.600 -0.522 0.000 1.341 247 S CA -0.331 57.654 58.200 -0.359 0.000 1.043 247 S CB -0.008 62.917 63.200 -0.458 0.000 0.887 247 S HN 1.235 nan 8.310 nan 0.000 0.516 248 H N -0.435 118.528 119.070 -0.179 0.000 2.041 248 H HA -0.229 4.328 4.556 0.000 0.000 0.325 248 H C -0.277 174.950 175.328 -0.168 0.000 0.902 248 H CA 0.733 56.637 56.048 -0.239 0.000 1.073 248 H CB -2.367 27.258 29.762 -0.230 0.000 1.583 248 H HN 0.636 nan 8.280 nan 0.000 0.331 249 H N 2.293 121.313 119.070 -0.084 0.000 2.886 249 H HA 0.417 4.974 4.556 0.000 0.000 0.329 249 H C 0.709 175.979 175.328 -0.096 0.000 1.044 249 H CA 0.479 56.481 56.048 -0.075 0.000 1.456 249 H CB 0.522 30.228 29.762 -0.093 0.000 1.464 249 H HN 0.869 nan 8.280 nan 0.000 0.573 250 K N 2.165 122.337 120.400 -0.381 0.000 2.658 250 K HA 0.510 4.830 4.320 0.000 0.000 0.293 250 K C -1.804 174.644 176.600 -0.253 0.000 1.026 250 K CA -0.928 55.163 56.287 -0.326 0.000 0.871 250 K CB 0.350 32.744 32.500 -0.177 0.000 1.524 250 K HN 0.400 nan 8.250 nan 0.000 0.400 251 C N 1.698 120.927 119.300 -0.119 0.000 2.344 251 C HA 0.512 4.972 4.460 0.000 0.000 0.326 251 C C -0.371 174.723 174.990 0.172 0.000 1.201 251 C CA -0.691 58.339 59.018 0.020 0.000 1.410 251 C CB 0.093 27.868 27.740 0.058 0.000 2.070 251 C HN 0.675 nan 8.230 nan 0.000 0.445 252 M N 4.214 123.897 119.600 0.137 0.000 2.277 252 M HA 0.595 5.075 4.480 0.000 0.000 0.350 252 M C -0.384 175.995 176.300 0.131 0.000 1.180 252 M CA 0.318 55.727 55.300 0.181 0.000 1.103 252 M CB 0.849 33.496 32.600 0.078 0.000 1.577 252 M HN 0.702 nan 8.290 nan 0.000 0.459 253 M N 0.745 120.426 119.600 0.135 0.000 4.047 253 M HA -0.140 4.340 4.480 0.000 0.000 0.157 253 M C -2.325 173.567 176.300 -0.681 0.000 1.532 253 M CA -0.611 54.591 55.300 -0.163 0.000 1.097 253 M CB -0.904 31.623 32.600 -0.120 0.000 1.346 253 M HN 0.405 nan 8.290 nan 0.000 0.190 254 P HA -0.268 nan 4.420 nan 0.000 0.218 254 P C 1.434 178.280 177.300 -0.756 0.000 1.154 254 P CA 2.084 64.207 63.100 -1.629 0.000 0.872 254 P CB -0.174 30.898 31.700 -1.047 0.000 0.790 255 Q N -0.435 119.112 119.800 -0.422 0.000 2.437 255 Q HA -0.115 4.225 4.340 0.000 0.000 0.210 255 Q C 0.702 176.631 176.000 -0.119 0.000 0.972 255 Q CA 1.590 57.268 55.803 -0.208 0.000 0.903 255 Q CB -1.204 27.448 28.738 -0.144 0.000 0.967 255 Q HN 0.405 nan 8.270 nan 0.000 0.486 256 N N -0.873 117.756 118.700 -0.119 0.000 2.205 256 N HA 0.068 4.808 4.740 0.000 0.000 0.201 256 N C -0.849 174.769 175.510 0.180 0.000 1.128 256 N CA -0.485 52.580 53.050 0.025 0.000 0.867 256 N CB 0.280 38.788 38.487 0.035 0.000 0.996 256 N HN 0.118 nan 8.380 nan 0.000 0.503 257 W N 1.288 122.578 121.300 -0.015 0.000 2.264 257 W HA 0.273 4.933 4.660 0.000 0.000 0.331 257 W C 1.419 177.928 176.519 -0.017 0.000 1.364 257 W CA 0.568 57.903 57.345 -0.017 0.000 1.253 257 W CB -0.225 29.230 29.460 -0.008 0.000 1.215 257 W HN 0.295 nan 8.180 nan 0.000 0.561 258 G N 2.390 111.295 108.800 0.174 0.000 2.213 258 G HA2 -0.327 3.633 3.960 0.000 0.000 0.226 258 G HA3 -0.327 3.633 3.960 0.000 0.000 0.226 258 G C 1.390 176.327 174.900 0.062 0.000 0.992 258 G CA 0.110 45.264 45.100 0.090 0.000 0.632 258 G HN 0.514 nan 8.290 nan 0.000 0.511 259 R N 1.141 121.682 120.500 0.068 0.000 2.328 259 R HA 0.070 4.410 4.340 0.000 0.000 0.207 259 R C 2.721 179.046 176.300 0.042 0.000 1.056 259 R CA 1.329 57.459 56.100 0.050 0.000 1.016 259 R CB -0.162 30.169 30.300 0.051 0.000 0.872 259 R HN 0.629 nan 8.270 nan 0.000 0.471 260 S N 0.395 116.106 115.700 0.018 0.000 2.474 260 S HA -0.081 4.390 4.470 0.000 0.000 0.235 260 S C 1.791 176.424 174.600 0.056 0.000 0.997 260 S CA 0.396 58.610 58.200 0.023 0.000 0.949 260 S CB -0.049 63.116 63.200 -0.058 0.000 0.766 260 S HN 0.285 nan 8.310 nan 0.000 0.517 261 R N 1.154 121.679 120.500 0.042 0.000 2.096 261 R HA 0.057 4.397 4.340 0.000 0.000 0.235 261 R C 2.670 178.999 176.300 0.048 0.000 1.127 261 R CA 1.343 57.469 56.100 0.044 0.000 0.968 261 R CB -0.680 29.640 30.300 0.033 0.000 0.861 261 R HN 0.595 nan 8.270 nan 0.000 0.440 262 A N 0.686 123.534 122.820 0.046 0.000 1.897 262 A HA -0.136 4.184 4.320 0.000 0.000 0.215 262 A C 2.289 179.900 177.584 0.045 0.000 1.181 262 A CA 1.848 53.909 52.037 0.041 0.000 0.620 262 A CB -0.765 18.256 19.000 0.036 0.000 0.821 262 A HN 0.482 nan 8.150 nan 0.000 0.443 263 T N -1.243 113.353 114.554 0.070 0.000 2.777 263 T HA -0.059 4.291 4.350 0.000 0.000 0.266 263 T C 1.840 176.553 174.700 0.020 0.000 1.040 263 T CA 1.436 63.579 62.100 0.071 0.000 1.141 263 T CB -0.592 68.397 68.868 0.202 0.000 0.868 263 T HN 0.261 nan 8.240 nan 0.000 0.444 264 L N 0.964 122.214 121.223 0.045 0.000 2.093 264 L HA 0.075 4.415 4.340 0.000 0.000 0.208 264 L C 3.331 180.225 176.870 0.041 0.000 1.085 264 L CA 1.103 55.936 54.840 -0.012 0.000 0.755 264 L CB -0.743 41.352 42.059 0.060 0.000 0.904 264 L HN 0.399 nan 8.230 nan 0.000 0.435 265 A N 0.211 123.062 122.820 0.051 0.000 1.898 265 A HA -0.233 4.088 4.320 0.000 0.000 0.216 265 A C 2.092 179.692 177.584 0.026 0.000 1.181 265 A CA 1.958 54.023 52.037 0.047 0.000 0.620 265 A CB -0.607 18.415 19.000 0.036 0.000 0.819 265 A HN 0.439 nan 8.150 nan 0.000 0.442 266 N N 0.323 119.029 118.700 0.010 0.000 2.142 266 N HA -0.084 4.656 4.740 0.000 0.000 0.186 266 N C 1.491 176.989 175.510 -0.020 0.000 1.023 266 N CA 1.681 54.728 53.050 -0.004 0.000 0.852 266 N CB -0.404 38.078 38.487 -0.008 0.000 0.998 266 N HN 0.513 nan 8.380 nan 0.000 0.424 267 I N 0.545 121.088 120.570 -0.044 0.000 2.179 267 I HA -0.255 3.915 4.170 0.000 0.000 0.242 267 I C 1.500 177.607 176.117 -0.017 0.000 1.088 267 I CA 1.173 62.431 61.300 -0.071 0.000 1.357 267 I CB -0.295 37.609 38.000 -0.160 0.000 1.051 267 I HN 0.123 nan 8.210 nan 0.000 0.409 268 D N 0.669 121.090 120.400 0.035 0.000 2.117 268 D HA -0.155 4.485 4.640 0.000 0.000 0.197 268 D C 2.330 178.645 176.300 0.025 0.000 0.987 268 D CA 1.175 55.215 54.000 0.066 0.000 0.829 268 D CB -0.249 40.611 40.800 0.100 0.000 0.961 268 D HN 0.294 nan 8.370 nan 0.000 0.460 269 R N 0.482 120.991 120.500 0.015 0.000 2.115 269 R HA 0.008 4.348 4.340 0.000 0.000 0.230 269 R C 2.234 178.533 176.300 -0.000 0.000 1.111 269 R CA 0.997 57.100 56.100 0.006 0.000 0.976 269 R CB -0.162 30.141 30.300 0.005 0.000 0.870 269 R HN 0.089 nan 8.270 nan 0.000 0.445 270 A N 1.099 123.915 122.820 -0.007 0.000 1.930 270 A HA -0.174 4.146 4.320 0.000 0.000 0.217 270 A C 2.120 179.697 177.584 -0.011 0.000 1.175 270 A CA 1.167 53.196 52.037 -0.013 0.000 0.627 270 A CB -0.410 18.575 19.000 -0.025 0.000 0.815 270 A HN 0.200 nan 8.150 nan 0.000 0.443 271 R N -0.185 120.310 120.500 -0.009 0.000 2.096 271 R HA -0.138 4.202 4.340 0.000 0.000 0.235 271 R C 1.960 178.257 176.300 -0.005 0.000 1.127 271 R CA 1.590 57.686 56.100 -0.007 0.000 0.968 271 R CB -0.240 30.061 30.300 0.003 0.000 0.861 271 R HN 0.683 nan 8.270 nan 0.000 0.440 272 E N 0.109 120.309 120.200 -0.001 0.000 2.118 272 E HA -0.237 4.113 4.350 0.000 0.000 0.195 272 E C 1.988 178.586 176.600 -0.003 0.000 0.992 272 E CA 1.352 57.750 56.400 -0.002 0.000 0.804 272 E CB 0.045 29.745 29.700 -0.000 0.000 0.741 272 E HN 0.500 nan 8.360 nan 0.000 0.458 273 Q N -1.227 118.571 119.800 -0.004 0.000 2.369 273 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 273 Q C 1.192 177.189 176.000 -0.004 0.000 0.963 273 Q CA 0.773 56.574 55.803 -0.003 0.000 0.894 273 Q CB 0.642 29.378 28.738 -0.003 0.000 0.965 273 Q HN 0.415 nan 8.270 nan 0.000 0.475 274 G N -0.259 108.537 108.800 -0.006 0.000 2.227 274 G HA2 -0.175 3.785 3.960 0.000 0.000 0.168 274 G HA3 -0.175 3.785 3.960 0.000 0.000 0.168 274 G C -0.039 174.855 174.900 -0.011 0.000 1.006 274 G CA -0.320 44.775 45.100 -0.007 0.000 0.684 274 G HN 0.128 nan 8.290 nan 0.000 0.489 275 V N 1.636 121.542 119.914 -0.013 0.000 2.508 275 V HA 0.362 4.482 4.120 0.000 0.000 0.281 275 V C 0.788 176.865 176.094 -0.028 0.000 1.041 275 V CA 0.017 62.306 62.300 -0.019 0.000 1.016 275 V CB 1.581 33.391 31.823 -0.021 0.000 0.984 275 V HN 0.414 nan 8.190 nan 0.000 0.478 276 E N 4.418 124.597 120.200 -0.035 0.000 2.070 276 E HA 0.444 4.794 4.350 0.000 0.000 0.282 276 E C -1.045 175.512 176.600 -0.072 0.000 1.104 276 E CA -0.138 56.231 56.400 -0.050 0.000 0.876 276 E CB 1.286 30.953 29.700 -0.055 0.000 1.055 276 E HN 0.524 nan 8.360 nan 0.000 0.401 277 V N 3.381 123.252 119.914 -0.072 0.000 2.888 277 V HA 0.865 4.985 4.120 0.000 0.000 0.309 277 V C -1.301 174.737 176.094 -0.092 0.000 1.114 277 V CA -0.057 62.185 62.300 -0.097 0.000 0.940 277 V CB 1.735 33.501 31.823 -0.096 0.000 1.021 277 V HN 0.801 nan 8.190 nan 0.000 0.426 278 A N 5.623 128.372 122.820 -0.118 0.000 2.552 278 A HA 1.047 5.368 4.320 0.000 0.000 0.288 278 A C -1.182 176.335 177.584 -0.110 0.000 1.193 278 A CA -0.304 51.679 52.037 -0.089 0.000 0.713 278 A CB 1.915 20.872 19.000 -0.072 0.000 1.305 278 A HN 1.940 nan 8.150 nan 0.000 0.424 279 L N -2.622 118.561 121.223 -0.067 0.000 2.630 279 L HA 0.988 5.328 4.340 0.000 0.000 0.258 279 L C -1.663 175.221 176.870 0.024 0.000 1.072 279 L CA -0.964 53.836 54.840 -0.067 0.000 0.885 279 L CB 2.235 44.213 42.059 -0.136 0.000 1.502 279 L HN 0.852 nan 8.230 nan 0.000 0.406 280 D N -0.263 120.157 120.400 0.034 0.000 2.583 280 D HA 0.757 5.397 4.640 0.000 0.000 0.248 280 D C -0.890 175.429 176.300 0.031 0.000 1.209 280 D CA -0.501 53.546 54.000 0.079 0.000 0.848 280 D CB 2.387 43.264 40.800 0.128 0.000 1.431 280 D HN 0.880 nan 8.370 nan 0.000 0.436 281 I N -3.447 117.134 120.570 0.018 0.000 3.102 281 I HA 0.705 4.875 4.170 0.000 0.000 0.310 281 I C -1.689 174.356 176.117 -0.118 0.000 1.246 281 I CA -1.423 59.805 61.300 -0.119 0.000 0.979 281 I CB 1.720 39.670 38.000 -0.083 0.000 1.267 281 I HN 0.500 nan 8.210 nan 0.000 0.451 282 Y N 0.232 120.521 120.300 -0.019 0.000 2.429 282 Y HA 0.821 5.371 4.550 0.000 0.000 0.342 282 Y C -2.544 173.343 175.900 -0.022 0.000 1.004 282 Y CA -3.216 54.861 58.100 -0.038 0.000 1.075 282 Y CB 0.865 39.351 38.460 0.043 0.000 1.214 282 Y HN 0.435 nan 8.280 nan 0.000 0.455 283 P HA 0.119 nan 4.420 nan 0.000 0.238 283 P C -1.602 175.443 177.300 -0.424 0.000 1.714 283 P CA 0.630 63.491 63.100 -0.398 0.000 0.908 283 P CB -0.829 30.204 31.700 -1.111 0.000 1.893 284 Y N 0.312 120.777 120.300 0.275 0.000 2.562 284 Y HA 0.364 4.914 4.550 0.000 0.000 0.345 284 Y C -1.774 174.373 175.900 0.411 0.000 1.045 284 Y CA -2.293 56.052 58.100 0.408 0.000 1.028 284 Y CB 1.992 40.816 38.460 0.607 0.000 1.297 284 Y HN -0.146 nan 8.280 nan 0.000 0.463 285 P HA 0.205 nan 4.420 nan 0.000 0.258 285 P C -0.056 177.481 177.300 0.395 0.000 1.416 285 P CA 0.335 63.646 63.100 0.351 0.000 0.927 285 P CB 0.529 32.369 31.700 0.233 0.000 1.444 286 G N -0.207 108.921 108.800 0.547 0.000 2.638 286 G HA2 0.490 4.450 3.960 0.000 0.000 0.302 286 G HA3 0.490 4.450 3.960 0.000 0.000 0.302 286 G C -0.545 174.633 174.900 0.463 0.000 1.365 286 G CA -0.305 44.977 45.100 0.302 0.000 0.987 286 G HN 0.114 nan 8.290 nan 0.000 0.495 287 S N -0.352 115.523 115.700 0.292 0.000 2.758 287 S HA 0.866 5.336 4.470 0.000 0.000 0.292 287 S C -0.060 174.686 174.600 0.243 0.000 1.131 287 S CA -0.623 57.748 58.200 0.285 0.000 0.997 287 S CB 1.984 65.325 63.200 0.235 0.000 1.111 287 S HN 1.270 nan 8.310 nan 0.000 0.552 288 S N -0.543 115.264 115.700 0.180 0.000 2.592 288 S HA 0.629 5.099 4.470 0.000 0.000 0.275 288 S C -0.840 173.889 174.600 0.214 0.000 1.169 288 S CA -0.164 58.147 58.200 0.184 0.000 0.958 288 S CB 1.204 64.478 63.200 0.122 0.000 1.095 288 S HN 1.160 nan 8.310 nan 0.000 0.471 289 T N 2.891 117.630 114.554 0.308 0.000 2.647 289 T HA 0.486 4.836 4.350 0.000 0.000 0.302 289 T C -0.896 173.972 174.700 0.281 0.000 1.389 289 T CA -0.364 61.912 62.100 0.293 0.000 1.037 289 T CB 0.028 69.123 68.868 0.377 0.000 1.755 289 T HN 0.955 nan 8.240 nan 0.000 0.467 290 I N 1.226 121.930 120.570 0.223 0.000 2.892 290 I HA 0.447 4.617 4.170 0.000 0.000 0.287 290 I C 0.093 176.305 176.117 0.158 0.000 1.205 290 I CA -0.689 60.699 61.300 0.145 0.000 1.409 290 I CB 0.128 38.184 38.000 0.092 0.000 1.367 290 I HN 0.469 nan 8.210 nan 0.000 0.597 291 L N 6.335 127.557 121.223 -0.003 0.000 2.418 291 L HA 0.388 4.728 4.340 0.000 0.000 0.274 291 L C -0.447 176.483 176.870 0.101 0.000 1.135 291 L CA 0.436 55.300 54.840 0.041 0.000 0.870 291 L CB -0.022 41.962 42.059 -0.126 0.000 1.154 291 L HN 0.485 nan 8.230 nan 0.000 0.462 292 I N 8.258 128.942 120.570 0.190 0.000 2.359 292 I HA 0.273 4.443 4.170 0.000 0.000 0.284 292 I C -1.529 174.646 176.117 0.097 0.000 1.018 292 I CA -1.606 59.765 61.300 0.119 0.000 1.173 292 I CB 1.421 39.472 38.000 0.086 0.000 1.326 292 I HN 0.536 nan 8.210 nan 0.000 0.462 293 P HA -0.190 nan 4.420 nan 0.000 0.217 293 P C 0.952 178.279 177.300 0.045 0.000 1.148 293 P CA 1.229 64.360 63.100 0.051 0.000 0.828 293 P CB 0.257 31.981 31.700 0.041 0.000 0.783 294 E N -0.987 119.237 120.200 0.039 0.000 2.401 294 E HA -0.127 4.223 4.350 0.000 0.000 0.199 294 E C 1.646 178.260 176.600 0.023 0.000 1.023 294 E CA 0.813 57.228 56.400 0.025 0.000 0.859 294 E CB -0.519 29.192 29.700 0.017 0.000 0.780 294 E HN 0.300 nan 8.360 nan 0.000 0.523 295 R N -0.426 120.098 120.500 0.041 0.000 2.334 295 R HA 0.297 4.637 4.340 0.000 0.000 0.216 295 R C 1.907 178.250 176.300 0.072 0.000 0.905 295 R CA 0.493 56.622 56.100 0.049 0.000 1.064 295 R CB 0.241 30.577 30.300 0.061 0.000 1.046 295 R HN 0.101 nan 8.270 nan 0.000 0.508 296 A N 1.592 124.448 122.820 0.060 0.000 1.948 296 A HA -0.182 4.138 4.320 0.000 0.000 0.220 296 A C 1.459 179.057 177.584 0.023 0.000 1.177 296 A CA 1.479 53.542 52.037 0.043 0.000 0.636 296 A CB -0.015 19.003 19.000 0.028 0.000 0.815 296 A HN 0.128 nan 8.150 nan 0.000 0.449 297 E N -1.015 119.195 120.200 0.015 0.000 2.501 297 E HA 0.052 4.403 4.350 0.000 0.000 0.200 297 E C 1.190 177.789 176.600 -0.003 0.000 1.016 297 E CA 0.905 57.306 56.400 0.001 0.000 0.921 297 E CB 0.118 29.816 29.700 -0.003 0.000 1.034 297 E HN 0.818 nan 8.360 nan 0.000 0.468 298 T N -3.069 111.489 114.554 0.007 0.000 2.955 298 T HA 0.343 4.693 4.350 0.000 0.000 0.251 298 T C 0.836 175.539 174.700 0.005 0.000 1.002 298 T CA -0.081 62.016 62.100 -0.004 0.000 0.970 298 T CB 0.430 69.293 68.868 -0.009 0.000 1.091 298 T HN -0.074 nan 8.240 nan 0.000 0.495 299 I N 2.408 123.002 120.570 0.040 0.000 2.499 299 I HA 0.460 4.630 4.170 0.000 0.000 0.288 299 I C -1.156 174.998 176.117 0.062 0.000 1.048 299 I CA -1.040 60.304 61.300 0.072 0.000 1.062 299 I CB 2.089 40.185 38.000 0.162 0.000 1.238 299 I HN 0.005 nan 8.210 nan 0.000 0.426 300 D N 4.326 124.743 120.400 0.028 0.000 2.348 300 D HA 0.160 4.800 4.640 0.000 0.000 0.249 300 D C 0.014 176.312 176.300 -0.005 0.000 1.110 300 D CA 0.290 54.277 54.000 -0.021 0.000 0.967 300 D CB 0.812 41.571 40.800 -0.069 0.000 1.139 300 D HN 0.480 nan 8.370 nan 0.000 0.466 301 D N -0.239 120.093 120.400 -0.112 0.000 2.837 301 D HA -0.187 4.453 4.640 0.000 0.000 0.230 301 D C -0.173 176.248 176.300 0.202 0.000 1.152 301 D CA 0.424 54.350 54.000 -0.123 0.000 0.736 301 D CB -1.417 39.281 40.800 -0.171 0.000 1.084 301 D HN 0.366 nan 8.370 nan 0.000 0.429 302 I N 0.491 121.121 120.570 0.101 0.000 2.662 302 I HA -0.072 4.099 4.170 0.000 0.000 0.285 302 I C 1.243 177.395 176.117 0.058 0.000 1.161 302 I CA 0.584 61.879 61.300 -0.007 0.000 1.415 302 I CB 0.387 38.356 38.000 -0.051 0.000 1.385 302 I HN -0.077 nan 8.210 nan 0.000 0.552 303 R N 7.297 127.786 120.500 -0.018 0.000 2.437 303 R HA 0.419 4.759 4.340 0.000 0.000 0.310 303 R C -0.607 175.602 176.300 -0.153 0.000 0.955 303 R CA -0.924 55.159 56.100 -0.029 0.000 0.851 303 R CB 0.976 31.311 30.300 0.057 0.000 1.161 303 R HN 0.439 nan 8.270 nan 0.000 0.446 304 I N 4.347 124.825 120.570 -0.153 0.000 2.648 304 I HA -0.031 4.139 4.170 0.000 0.000 0.284 304 I C 1.632 177.688 176.117 -0.101 0.000 1.153 304 I CA 0.548 61.750 61.300 -0.163 0.000 1.426 304 I CB 1.037 38.947 38.000 -0.149 0.000 1.381 304 I HN 0.817 nan 8.210 nan 0.000 0.571 305 T N 2.450 116.956 114.554 -0.081 0.000 2.990 305 T HA 0.134 4.484 4.350 0.000 0.000 0.249 305 T C 0.039 174.876 174.700 0.229 0.000 1.039 305 T CA -0.175 61.969 62.100 0.075 0.000 1.036 305 T CB 0.450 69.415 68.868 0.161 0.000 0.994 305 T HN 0.707 nan 8.240 nan 0.000 0.489 306 W N -0.289 120.996 121.300 -0.025 0.000 3.173 306 W HA 0.664 5.325 4.660 0.000 0.000 0.313 306 W C -2.275 174.250 176.519 0.010 0.000 1.228 306 W CA -1.011 56.328 57.345 -0.011 0.000 1.185 306 W CB 0.696 30.144 29.460 -0.020 0.000 1.390 306 W HN 0.033 nan 8.180 nan 0.000 0.568 307 S N 0.419 116.231 115.700 0.187 0.000 2.626 307 S HA 0.377 4.847 4.470 0.000 0.000 0.275 307 S C 0.237 174.968 174.600 0.218 0.000 1.175 307 S CA 0.246 58.464 58.200 0.031 0.000 0.982 307 S CB 1.584 64.803 63.200 0.031 0.000 1.093 307 S HN 0.429 nan 8.310 nan 0.000 0.472 308 T N 5.255 119.965 114.554 0.259 0.000 2.737 308 T HA 0.019 4.369 4.350 0.000 0.000 0.265 308 T C -0.878 173.860 174.700 0.064 0.000 1.038 308 T CA 1.706 63.929 62.100 0.204 0.000 1.144 308 T CB -0.729 68.272 68.868 0.221 0.000 0.866 308 T HN 0.665 nan 8.240 nan 0.000 0.434 309 P HA -0.032 nan 4.420 nan 0.000 0.224 309 P C 0.089 177.144 177.300 -0.408 0.000 1.157 309 P CA 1.166 64.157 63.100 -0.181 0.000 0.799 309 P CB 0.200 31.806 31.700 -0.156 0.000 0.809 310 H N -0.078 119.047 119.070 0.090 0.000 2.379 310 H HA 0.214 4.770 4.556 0.000 0.000 0.229 310 H C -1.737 173.649 175.328 0.097 0.000 1.423 310 H CA -1.469 54.649 56.048 0.117 0.000 1.375 310 H CB 1.086 30.976 29.762 0.213 0.000 1.592 310 H HN 0.174 nan 8.280 nan 0.000 0.507 311 P HA -0.166 nan 4.420 nan 0.000 0.225 311 P C 1.344 178.708 177.300 0.106 0.000 1.148 311 P CA 0.961 64.133 63.100 0.121 0.000 0.779 311 P CB 0.435 32.189 31.700 0.089 0.000 0.780 312 E N 0.672 120.946 120.200 0.123 0.000 2.274 312 E HA -0.144 4.206 4.350 0.000 0.000 0.194 312 E C 1.829 178.471 176.600 0.071 0.000 0.996 312 E CA 1.307 57.765 56.400 0.097 0.000 0.840 312 E CB -1.554 28.218 29.700 0.120 0.000 0.772 312 E HN 0.393 nan 8.360 nan 0.000 0.491 313 C N 0.734 120.086 119.300 0.087 0.000 2.522 313 C HA 0.278 4.738 4.460 0.000 0.000 0.271 313 C C 1.227 176.199 174.990 -0.029 0.000 1.425 313 C CA -0.629 58.394 59.018 0.008 0.000 1.751 313 C CB -1.297 26.441 27.740 -0.004 0.000 1.775 313 C HN 0.045 nan 8.230 nan 0.000 0.557 314 S N 1.068 116.772 115.700 0.008 0.000 2.546 314 S HA 0.416 4.886 4.470 0.000 0.000 0.290 314 S C 1.417 175.992 174.600 -0.042 0.000 1.290 314 S CA 1.292 59.491 58.200 -0.002 0.000 1.069 314 S CB 0.212 63.439 63.200 0.046 0.000 0.846 314 S HN 1.550 nan 8.310 nan 0.000 0.495 315 G N 2.627 111.383 108.800 -0.073 0.000 2.199 315 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 315 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 315 G C -0.207 174.556 174.900 -0.228 0.000 0.982 315 G CA 0.034 45.062 45.100 -0.119 0.000 0.632 315 G HN 0.651 nan 8.290 nan 0.000 0.529 316 E N -0.416 119.659 120.200 -0.209 0.000 2.248 316 E HA 0.562 4.913 4.350 0.000 0.000 0.272 316 E C -0.633 175.814 176.600 -0.255 0.000 1.008 316 E CA -0.936 55.307 56.400 -0.260 0.000 0.856 316 E CB 0.855 30.448 29.700 -0.179 0.000 1.120 316 E HN 0.227 nan 8.360 nan 0.000 0.397 317 Y N 1.288 121.517 120.300 -0.118 0.000 2.319 317 Y HA -0.007 4.544 4.550 0.000 0.000 0.328 317 Y C 1.046 176.847 175.900 -0.165 0.000 1.133 317 Y CA -0.295 57.733 58.100 -0.121 0.000 1.265 317 Y CB 0.553 38.950 38.460 -0.105 0.000 1.218 317 Y HN 0.526 nan 8.280 nan 0.000 0.508 318 L N 3.296 124.533 121.223 0.024 0.000 2.043 318 L HA -0.221 4.119 4.340 0.000 0.000 0.212 318 L C 2.119 178.923 176.870 -0.109 0.000 1.075 318 L CA 2.298 57.084 54.840 -0.089 0.000 0.752 318 L CB -0.920 41.101 42.059 -0.062 0.000 0.891 318 L HN 0.801 nan 8.230 nan 0.000 0.432 319 A N -0.942 121.843 122.820 -0.058 0.000 1.902 319 A HA -0.214 4.106 4.320 0.000 0.000 0.217 319 A C 1.985 179.512 177.584 -0.096 0.000 1.181 319 A CA 1.890 53.879 52.037 -0.080 0.000 0.623 319 A CB -0.767 18.180 19.000 -0.089 0.000 0.818 319 A HN 0.543 nan 8.150 nan 0.000 0.443 320 D N -0.008 120.351 120.400 -0.068 0.000 2.117 320 D HA -0.077 4.563 4.640 0.000 0.000 0.198 320 D C 1.880 178.048 176.300 -0.219 0.000 0.982 320 D CA 1.028 54.973 54.000 -0.092 0.000 0.828 320 D CB -0.340 40.446 40.800 -0.023 0.000 0.967 320 D HN 0.528 nan 8.370 nan 0.000 0.464 321 I N 1.281 121.647 120.570 -0.339 0.000 2.179 321 I HA -0.262 3.908 4.170 0.000 0.000 0.242 321 I C 2.506 178.156 176.117 -0.778 0.000 1.088 321 I CA 1.120 61.994 61.300 -0.710 0.000 1.357 321 I CB -0.265 37.224 38.000 -0.852 0.000 1.051 321 I HN -0.077 nan 8.210 nan 0.000 0.409 322 A N 0.780 123.337 122.820 -0.437 0.000 1.902 322 A HA -0.187 4.133 4.320 0.000 0.000 0.217 322 A C 2.549 180.075 177.584 -0.096 0.000 1.181 322 A CA 1.971 53.887 52.037 -0.202 0.000 0.623 322 A CB -0.892 18.047 19.000 -0.102 0.000 0.818 322 A HN 0.446 nan 8.150 nan 0.000 0.443 323 A N -0.371 122.382 122.820 -0.111 0.000 1.902 323 A HA -0.183 4.137 4.320 0.000 0.000 0.217 323 A C 2.257 179.825 177.584 -0.026 0.000 1.181 323 A CA 1.832 53.838 52.037 -0.052 0.000 0.623 323 A CB -0.497 18.469 19.000 -0.057 0.000 0.818 323 A HN 0.564 nan 8.150 nan 0.000 0.443 324 R N -1.656 118.796 120.500 -0.081 0.000 2.096 324 R HA -0.166 4.174 4.340 0.000 0.000 0.235 324 R C 1.631 178.038 176.300 0.178 0.000 1.127 324 R CA 1.693 57.791 56.100 -0.004 0.000 0.968 324 R CB -0.231 30.020 30.300 -0.082 0.000 0.861 324 R HN 0.675 nan 8.270 nan 0.000 0.440 325 W N -0.287 120.989 121.300 -0.040 0.000 2.770 325 W HA 0.326 4.987 4.660 0.000 0.000 0.256 325 W C 1.089 177.590 176.519 -0.029 0.000 1.291 325 W CA 0.876 58.195 57.345 -0.043 0.000 1.396 325 W CB -0.512 28.909 29.460 -0.066 0.000 1.114 325 W HN 0.426 nan 8.180 nan 0.000 0.637 326 G N 0.553 109.463 108.800 0.184 0.000 2.182 326 G HA2 -0.250 3.710 3.960 0.000 0.000 0.248 326 G HA3 -0.250 3.710 3.960 0.000 0.000 0.248 326 G C 0.127 175.085 174.900 0.095 0.000 1.042 326 G CA 0.045 45.207 45.100 0.103 0.000 0.775 326 G HN 0.388 nan 8.290 nan 0.000 0.501 327 C N -1.209 118.162 119.300 0.118 0.000 3.108 327 C HA 0.920 5.380 4.460 0.000 0.000 0.321 327 C C 0.381 175.410 174.990 0.064 0.000 1.357 327 C CA -0.590 58.486 59.018 0.096 0.000 1.562 327 C CB 1.490 29.313 27.740 0.139 0.000 2.003 327 C HN 0.688 nan 8.230 nan 0.000 0.460 328 D N 0.395 120.824 120.400 0.048 0.000 2.377 328 D HA 0.243 4.883 4.640 0.000 0.000 0.245 328 D C 0.747 177.062 176.300 0.025 0.000 1.196 328 D CA -0.532 53.483 54.000 0.026 0.000 0.962 328 D CB 0.619 41.431 40.800 0.019 0.000 1.127 328 D HN 0.666 nan 8.370 nan 0.000 0.471 329 K N -0.603 119.798 120.400 0.003 0.000 2.097 329 K HA -0.109 4.211 4.320 0.000 0.000 0.206 329 K C 1.909 178.518 176.600 0.013 0.000 1.049 329 K CA 1.495 57.777 56.287 -0.008 0.000 0.933 329 K CB -0.285 32.205 32.500 -0.018 0.000 0.717 329 K HN 0.470 nan 8.250 nan 0.000 0.442 330 T N 0.574 115.141 114.554 0.022 0.000 2.777 330 T HA -0.111 4.239 4.350 0.000 0.000 0.266 330 T C 1.922 176.650 174.700 0.046 0.000 1.040 330 T CA 1.674 63.793 62.100 0.031 0.000 1.141 330 T CB -0.297 68.587 68.868 0.026 0.000 0.868 330 T HN 0.251 nan 8.240 nan 0.000 0.444 331 T N 1.999 116.586 114.554 0.055 0.000 2.746 331 T HA -0.003 4.348 4.350 0.000 0.000 0.267 331 T C 2.421 177.198 174.700 0.127 0.000 1.039 331 T CA 1.130 63.276 62.100 0.077 0.000 1.142 331 T CB -0.540 68.373 68.868 0.075 0.000 0.866 331 T HN 0.424 nan 8.240 nan 0.000 0.444 332 A N 1.526 124.434 122.820 0.147 0.000 1.902 332 A HA 0.109 4.429 4.320 0.000 0.000 0.217 332 A C 2.653 180.332 177.584 0.158 0.000 1.181 332 A CA 1.902 54.077 52.037 0.230 0.000 0.623 332 A CB -1.142 17.868 19.000 0.017 0.000 0.818 332 A HN 0.507 nan 8.150 nan 0.000 0.443 333 A N -0.212 122.647 122.820 0.064 0.000 1.908 333 A HA -0.192 4.128 4.320 0.000 0.000 0.218 333 A C 2.243 179.862 177.584 0.059 0.000 1.181 333 A CA 1.666 53.726 52.037 0.038 0.000 0.627 333 A CB -0.465 18.551 19.000 0.026 0.000 0.818 333 A HN 0.568 nan 8.150 nan 0.000 0.445 334 R N -0.804 119.739 120.500 0.072 0.000 2.081 334 R HA -0.056 4.284 4.340 0.000 0.000 0.235 334 R C 2.379 178.730 176.300 0.085 0.000 1.131 334 R CA 1.475 57.614 56.100 0.064 0.000 0.960 334 R CB -0.262 30.070 30.300 0.054 0.000 0.856 334 R HN 0.486 nan 8.270 nan 0.000 0.436 335 R N 0.375 120.953 120.500 0.131 0.000 2.148 335 R HA -0.037 4.304 4.340 0.000 0.000 0.227 335 R C 2.024 178.467 176.300 0.239 0.000 1.103 335 R CA 0.862 57.051 56.100 0.149 0.000 0.983 335 R CB -0.153 30.215 30.300 0.113 0.000 0.874 335 R HN 0.217 nan 8.270 nan 0.000 0.451 336 L N 0.570 121.932 121.223 0.231 0.000 2.395 336 L HA 0.087 4.427 4.340 0.000 0.000 0.218 336 L C 1.020 177.930 176.870 0.067 0.000 1.130 336 L CA -0.281 54.684 54.840 0.208 0.000 0.826 336 L CB -0.201 41.910 42.059 0.086 0.000 0.941 336 L HN 0.075 nan 8.230 nan 0.000 0.451 337 A N 0.677 123.517 122.820 0.033 0.000 2.462 337 A HA 0.348 4.668 4.320 0.000 0.000 0.243 337 A C -2.193 175.402 177.584 0.019 0.000 1.076 337 A CA -0.892 51.134 52.037 -0.018 0.000 0.773 337 A CB -0.435 18.567 19.000 0.003 0.000 1.010 337 A HN -0.039 nan 8.150 nan 0.000 0.493 338 P HA 0.524 nan 4.420 nan 0.000 0.276 338 P C -0.335 176.738 177.300 -0.378 0.000 1.230 338 P CA 0.266 63.351 63.100 -0.025 0.000 0.776 338 P CB 1.406 33.232 31.700 0.210 0.000 0.888 339 A N 1.965 124.307 122.820 -0.796 0.000 2.581 339 A HA 0.862 5.182 4.320 0.000 0.000 0.290 339 A C -0.796 175.889 177.584 -1.499 0.000 1.119 339 A CA -0.302 50.871 52.037 -1.440 0.000 0.670 339 A CB 1.382 20.001 19.000 -0.634 0.000 1.280 339 A HN 0.575 nan 8.150 nan 0.000 0.425 340 G N -1.585 106.260 108.800 -1.592 0.000 2.658 340 G HA2 0.946 4.906 3.960 0.000 0.000 0.292 340 G HA3 0.946 4.906 3.960 0.000 0.000 0.292 340 G C -0.624 174.049 174.900 -0.378 0.000 1.320 340 G CA 0.057 44.747 45.100 -0.684 0.000 0.933 340 G HN 2.141 nan 8.290 nan 0.000 0.476 341 A N -0.601 122.094 122.820 -0.207 0.000 2.581 341 A HA 0.771 5.091 4.320 0.000 0.000 0.290 341 A C -1.553 175.788 177.584 -0.405 0.000 1.119 341 A CA -0.607 51.219 52.037 -0.352 0.000 0.670 341 A CB 0.859 19.525 19.000 -0.556 0.000 1.280 341 A HN 0.728 nan 8.150 nan 0.000 0.425 342 I N 0.491 120.758 120.570 -0.504 0.000 2.441 342 I HA 0.422 4.592 4.170 0.000 0.000 0.295 342 I C -1.505 174.143 176.117 -0.781 0.000 0.994 342 I CA -0.429 60.563 61.300 -0.515 0.000 1.144 342 I CB 1.610 39.282 38.000 -0.545 0.000 1.314 342 I HN 0.604 nan 8.210 nan 0.000 0.445 343 Y N 5.501 125.602 120.300 -0.332 0.000 2.388 343 Y HA 0.365 4.915 4.550 0.000 0.000 0.328 343 Y C -0.454 175.291 175.900 -0.259 0.000 0.963 343 Y CA -0.655 57.325 58.100 -0.201 0.000 1.240 343 Y CB 0.653 39.088 38.460 -0.042 0.000 1.118 343 Y HN 0.334 nan 8.280 nan 0.000 0.484 344 F N 2.629 122.635 119.950 0.093 0.000 2.619 344 F HA 0.402 4.929 4.527 0.000 0.000 0.350 344 F C 0.897 176.789 175.800 0.152 0.000 1.259 344 F CA -0.188 57.838 58.000 0.043 0.000 1.204 344 F CB 0.335 39.276 39.000 -0.099 0.000 1.556 344 F HN 0.671 nan 8.300 nan 0.000 0.650 345 A N 2.364 125.377 122.820 0.322 0.000 2.635 345 A HA 0.550 4.870 4.320 0.000 0.000 0.279 345 A C 0.137 178.042 177.584 0.535 0.000 1.122 345 A CA -0.161 52.102 52.037 0.376 0.000 0.965 345 A CB -0.010 19.144 19.000 0.257 0.000 1.221 345 A HN 0.467 nan 8.150 nan 0.000 0.566 346 M N -0.119 119.697 119.600 0.359 0.000 2.724 346 M HA 0.444 4.924 4.480 0.000 0.000 0.310 346 M C -0.816 175.222 176.300 -0.436 0.000 1.217 346 M CA -0.481 54.875 55.300 0.094 0.000 0.894 346 M CB 1.304 33.926 32.600 0.036 0.000 1.719 346 M HN 0.098 nan 8.290 nan 0.000 0.479 347 D N 0.671 120.442 120.400 -1.049 0.000 2.359 347 D HA 0.104 4.744 4.640 0.000 0.000 0.230 347 D C 0.661 176.680 176.300 -0.469 0.000 1.118 347 D CA 0.080 53.410 54.000 -1.116 0.000 0.844 347 D CB 0.916 40.863 40.800 -1.423 0.000 1.059 347 D HN 0.745 nan 8.370 nan 0.000 0.493 348 E N 2.736 122.773 120.200 -0.271 0.000 2.130 348 E HA -0.251 4.099 4.350 0.000 0.000 0.196 348 E C 0.470 176.983 176.600 -0.144 0.000 0.998 348 E CA 1.299 57.630 56.400 -0.115 0.000 0.806 348 E CB 0.326 30.006 29.700 -0.032 0.000 0.738 348 E HN 0.505 nan 8.360 nan 0.000 0.459 349 D N 0.102 120.394 120.400 -0.180 0.000 2.144 349 D HA -0.180 4.460 4.640 0.000 0.000 0.199 349 D C 1.783 177.992 176.300 -0.153 0.000 0.984 349 D CA 1.093 55.001 54.000 -0.153 0.000 0.834 349 D CB -0.191 40.532 40.800 -0.128 0.000 0.955 349 D HN 0.405 nan 8.370 nan 0.000 0.465 350 E N 0.449 120.534 120.200 -0.191 0.000 2.107 350 E HA -0.102 4.248 4.350 0.000 0.000 0.191 350 E C 2.057 178.580 176.600 -0.128 0.000 0.982 350 E CA 0.476 56.782 56.400 -0.157 0.000 0.809 350 E CB 0.213 29.792 29.700 -0.201 0.000 0.756 350 E HN -0.048 nan 8.360 nan 0.000 0.459 351 V N 1.510 121.345 119.914 -0.132 0.000 2.332 351 V HA -0.287 3.833 4.120 0.000 0.000 0.248 351 V C 2.232 178.304 176.094 -0.036 0.000 1.055 351 V CA 2.173 64.429 62.300 -0.073 0.000 1.038 351 V CB -0.458 31.351 31.823 -0.022 0.000 0.651 351 V HN 0.247 nan 8.190 nan 0.000 0.450 352 K N -0.377 119.946 120.400 -0.129 0.000 2.097 352 K HA -0.122 4.198 4.320 0.000 0.000 0.206 352 K C 2.417 178.963 176.600 -0.090 0.000 1.049 352 K CA 1.221 57.363 56.287 -0.241 0.000 0.933 352 K CB -0.232 32.036 32.500 -0.387 0.000 0.717 352 K HN 0.380 nan 8.250 nan 0.000 0.442 353 R N 0.644 121.099 120.500 -0.075 0.000 2.081 353 R HA -0.056 4.284 4.340 0.000 0.000 0.235 353 R C 2.314 178.622 176.300 0.013 0.000 1.131 353 R CA 1.221 57.298 56.100 -0.038 0.000 0.960 353 R CB -0.342 29.934 30.300 -0.040 0.000 0.856 353 R HN 0.210 nan 8.270 nan 0.000 0.436 354 I N -0.045 120.540 120.570 0.024 0.000 2.226 354 I HA -0.279 3.891 4.170 0.000 0.000 0.245 354 I C 2.225 178.419 176.117 0.129 0.000 1.100 354 I CA 1.062 62.402 61.300 0.067 0.000 1.374 354 I CB -0.297 37.716 38.000 0.022 0.000 1.057 354 I HN 0.068 nan 8.210 nan 0.000 0.413 355 F N 1.904 121.849 119.950 -0.008 0.000 2.216 355 F HA -0.222 4.305 4.527 0.000 0.000 0.300 355 F C 2.471 178.286 175.800 0.025 0.000 1.085 355 F CA 1.612 59.623 58.000 0.019 0.000 1.326 355 F CB -0.479 38.555 39.000 0.056 0.000 1.027 355 F HN 0.079 nan 8.300 nan 0.000 0.497 356 Q N -0.876 118.839 119.800 -0.143 0.000 2.364 356 Q HA -0.178 4.162 4.340 0.000 0.000 0.207 356 Q C 0.643 176.541 176.000 -0.170 0.000 0.970 356 Q CA 0.440 56.101 55.803 -0.236 0.000 0.888 356 Q CB -0.507 28.158 28.738 -0.122 0.000 0.951 356 Q HN 0.361 nan 8.270 nan 0.000 0.469 357 H N 2.107 121.085 119.070 -0.152 0.000 2.964 357 H HA -0.021 4.535 4.556 0.000 0.000 0.328 357 H C -1.577 173.671 175.328 -0.133 0.000 1.030 357 H CA -1.298 54.687 56.048 -0.105 0.000 1.445 357 H CB 1.128 30.861 29.762 -0.049 0.000 1.449 357 H HN -0.001 nan 8.280 nan 0.000 0.581 358 P HA -0.190 nan 4.420 nan 0.000 0.219 358 P C 0.707 178.006 177.300 -0.002 0.000 1.151 358 P CA 1.375 64.367 63.100 -0.180 0.000 0.850 358 P CB 0.039 31.577 31.700 -0.271 0.000 0.784 359 C N -1.018 118.406 119.300 0.206 0.000 2.760 359 C HA 0.351 4.811 4.460 0.000 0.000 0.293 359 C C 1.193 176.241 174.990 0.096 0.000 1.383 359 C CA -0.760 58.333 59.018 0.125 0.000 1.771 359 C CB -1.774 26.035 27.740 0.115 0.000 2.353 359 C HN 0.295 nan 8.230 nan 0.000 0.578 360 C N 2.858 122.213 119.300 0.091 0.000 2.325 360 C HA 0.662 5.122 4.460 0.000 0.000 0.347 360 C C 0.333 175.397 174.990 0.124 0.000 1.263 360 C CA -0.148 58.920 59.018 0.084 0.000 1.806 360 C CB -1.104 26.691 27.740 0.091 0.000 2.405 360 C HN 0.614 nan 8.230 nan 0.000 0.537 361 M N 4.284 123.982 119.600 0.164 0.000 2.527 361 M HA 0.527 5.007 4.480 0.000 0.000 0.283 361 M C -0.472 175.950 176.300 0.202 0.000 1.188 361 M CA -0.694 54.730 55.300 0.207 0.000 0.941 361 M CB 1.178 33.909 32.600 0.219 0.000 1.498 361 M HN 0.277 nan 8.290 nan 0.000 0.510 362 V N 0.478 120.466 119.914 0.124 0.000 2.417 362 V HA 0.719 4.839 4.120 0.000 0.000 0.291 362 V C 0.050 176.139 176.094 -0.009 0.000 1.024 362 V CA -0.570 61.652 62.300 -0.130 0.000 0.861 362 V CB 1.285 32.715 31.823 -0.655 0.000 0.985 362 V HN 0.942 nan 8.190 nan 0.000 0.436 363 G N 1.756 110.579 108.800 0.038 0.000 2.683 363 G HA2 0.451 4.411 3.960 0.000 0.000 0.299 363 G HA3 0.451 4.411 3.960 0.000 0.000 0.299 363 G C 0.647 175.683 174.900 0.226 0.000 1.432 363 G CA 0.284 45.518 45.100 0.223 0.000 0.978 363 G HN 0.792 nan 8.290 nan 0.000 0.513 364 S N 1.939 117.805 115.700 0.277 0.000 2.383 364 S HA -0.086 4.384 4.470 0.000 0.000 0.227 364 S C 1.209 175.883 174.600 0.124 0.000 1.026 364 S CA 1.285 59.612 58.200 0.212 0.000 0.981 364 S CB -0.136 63.224 63.200 0.266 0.000 0.818 364 S HN 0.775 nan 8.310 nan 0.000 0.472 365 D N 1.310 121.856 120.400 0.244 0.000 2.837 365 D HA -0.102 4.539 4.640 0.000 0.000 0.230 365 D C 0.227 176.592 176.300 0.109 0.000 1.152 365 D CA 0.991 55.161 54.000 0.285 0.000 0.736 365 D CB -1.646 39.254 40.800 0.166 0.000 1.084 365 D HN 0.704 nan 8.370 nan 0.000 0.429 366 G N 0.230 109.086 108.800 0.092 0.000 2.441 366 G HA2 0.420 4.380 3.960 0.000 0.000 0.243 366 G HA3 0.420 4.380 3.960 0.000 0.000 0.243 366 G C 0.385 175.299 174.900 0.024 0.000 1.281 366 G CA -0.451 44.650 45.100 0.003 0.000 0.854 366 G HN 0.325 nan 8.290 nan 0.000 0.560 367 L N 4.745 125.933 121.223 -0.058 0.000 2.387 367 L HA 0.249 4.589 4.340 0.000 0.000 0.259 367 L C -1.164 175.585 176.870 -0.203 0.000 1.050 367 L CA -1.693 53.098 54.840 -0.082 0.000 0.922 367 L CB 2.224 44.258 42.059 -0.041 0.000 1.280 367 L HN 0.478 nan 8.230 nan 0.000 0.449 368 P HA -0.162 nan 4.420 nan 0.000 0.221 368 P C 0.513 177.578 177.300 -0.391 0.000 1.145 368 P CA 1.269 64.037 63.100 -0.552 0.000 0.795 368 P CB 0.367 31.627 31.700 -0.733 0.000 0.775 369 N N -0.366 118.148 118.700 -0.310 0.000 2.405 369 N HA -0.011 4.729 4.740 0.000 0.000 0.175 369 N C 0.113 175.441 175.510 -0.303 0.000 1.051 369 N CA 0.390 53.255 53.050 -0.307 0.000 0.899 369 N CB -0.294 37.974 38.487 -0.364 0.000 1.000 369 N HN 0.162 nan 8.380 nan 0.000 0.451 370 D N 0.804 121.051 120.400 -0.256 0.000 2.488 370 D HA 0.054 4.694 4.640 0.000 0.000 0.238 370 D C 1.121 177.400 176.300 -0.035 0.000 1.138 370 D CA 0.054 53.981 54.000 -0.121 0.000 0.873 370 D CB 0.914 41.734 40.800 0.035 0.000 1.183 370 D HN 0.102 nan 8.370 nan 0.000 0.458 371 A N 3.383 126.234 122.820 0.052 0.000 1.898 371 A HA -0.136 4.185 4.320 0.000 0.000 0.216 371 A C 1.473 179.081 177.584 0.040 0.000 1.181 371 A CA 1.257 53.322 52.037 0.047 0.000 0.620 371 A CB 0.029 19.085 19.000 0.094 0.000 0.819 371 A HN 0.346 nan 8.150 nan 0.000 0.442 372 R N 0.088 120.630 120.500 0.069 0.000 2.564 372 R HA 0.304 4.644 4.340 0.000 0.000 0.282 372 R C -2.988 173.353 176.300 0.069 0.000 1.573 372 R CA -2.557 53.572 56.100 0.048 0.000 1.588 372 R CB 0.898 31.221 30.300 0.038 0.000 1.154 372 R HN 0.236 nan 8.270 nan 0.000 0.606 373 P HA 0.014 nan 4.420 nan 0.000 0.272 373 P C -0.727 176.630 177.300 0.095 0.000 1.240 373 P CA -0.243 62.899 63.100 0.071 0.000 0.791 373 P CB 0.717 32.438 31.700 0.034 0.000 0.978 374 H N 2.821 121.872 119.070 -0.033 0.000 2.803 374 H HA 0.091 4.647 4.556 0.000 0.000 0.330 374 H C -1.010 174.181 175.328 -0.227 0.000 1.057 374 H CA -1.420 54.575 56.048 -0.088 0.000 1.458 374 H CB 0.707 30.378 29.762 -0.152 0.000 1.470 374 H HN 0.246 nan 8.280 nan 0.000 0.560 375 P HA -0.244 nan 4.420 nan 0.000 0.223 375 P C 0.855 178.056 177.300 -0.164 0.000 1.144 375 P CA 1.179 64.159 63.100 -0.201 0.000 0.783 375 P CB -0.025 31.414 31.700 -0.435 0.000 0.771 376 R N -0.030 120.245 120.500 -0.375 0.000 2.200 376 R HA -0.119 4.221 4.340 0.000 0.000 0.234 376 R C 2.151 178.421 176.300 -0.051 0.000 1.127 376 R CA 0.943 56.813 56.100 -0.383 0.000 0.989 376 R CB -1.607 28.231 30.300 -0.771 0.000 0.869 376 R HN 0.159 nan 8.270 nan 0.000 0.459 377 L N -0.054 121.155 121.223 -0.023 0.000 2.079 377 L HA -0.081 4.259 4.340 0.000 0.000 0.210 377 L C 1.152 178.061 176.870 0.064 0.000 1.081 377 L CA 1.726 56.576 54.840 0.017 0.000 0.752 377 L CB -0.268 41.790 42.059 -0.002 0.000 0.896 377 L HN 0.228 nan 8.230 nan 0.000 0.433 378 W N -1.868 119.474 121.300 0.071 0.000 2.975 378 W HA 0.413 5.073 4.660 0.000 0.000 0.316 378 W C 1.804 178.383 176.519 0.100 0.000 1.131 378 W CA 0.351 57.766 57.345 0.116 0.000 1.624 378 W CB 0.242 29.748 29.460 0.077 0.000 1.038 378 W HN 0.158 nan 8.180 nan 0.000 0.571 379 G N -1.306 107.673 108.800 0.297 0.000 3.829 379 G HA2 0.075 4.035 3.960 0.000 0.000 0.279 379 G HA3 0.075 4.035 3.960 0.000 0.000 0.279 379 G C 1.073 176.085 174.900 0.186 0.000 1.008 379 G CA 0.177 45.414 45.100 0.229 0.000 0.840 379 G HN -0.072 nan 8.290 nan 0.000 0.474 380 S N 0.731 116.564 115.700 0.223 0.000 2.351 380 S HA -0.108 4.362 4.470 0.000 0.000 0.220 380 S C 1.854 176.329 174.600 -0.209 0.000 1.035 380 S CA 1.206 59.449 58.200 0.071 0.000 1.031 380 S CB -0.371 62.879 63.200 0.082 0.000 0.928 380 S HN 0.356 nan 8.310 nan 0.000 0.433 381 F N 1.841 121.710 119.950 -0.135 0.000 2.186 381 F HA -0.101 4.427 4.527 0.000 0.000 0.299 381 F C 2.946 178.560 175.800 -0.310 0.000 1.090 381 F CA 1.316 59.151 58.000 -0.275 0.000 1.307 381 F CB -0.925 37.935 39.000 -0.233 0.000 1.019 381 F HN 0.287 nan 8.300 nan 0.000 0.489 382 T N -1.889 112.652 114.554 -0.021 0.000 2.951 382 T HA -0.122 4.228 4.350 0.000 0.000 0.268 382 T C 1.950 176.550 174.700 -0.167 0.000 1.073 382 T CA 0.728 62.775 62.100 -0.088 0.000 1.134 382 T CB -0.367 68.493 68.868 -0.014 0.000 0.884 382 T HN 0.221 nan 8.240 nan 0.000 0.479 383 R N 0.709 121.071 120.500 -0.231 0.000 2.090 383 R HA 0.023 4.363 4.340 0.000 0.000 0.228 383 R C 2.195 178.187 176.300 -0.514 0.000 1.110 383 R CA 0.901 56.788 56.100 -0.356 0.000 0.973 383 R CB -0.465 29.538 30.300 -0.495 0.000 0.869 383 R HN 0.314 nan 8.270 nan 0.000 0.440 384 V N 1.327 120.872 119.914 -0.614 0.000 2.307 384 V HA -0.243 3.878 4.120 0.000 0.000 0.245 384 V C 2.317 178.240 176.094 -0.284 0.000 1.045 384 V CA 1.659 63.562 62.300 -0.662 0.000 1.024 384 V CB -0.347 31.047 31.823 -0.716 0.000 0.651 384 V HN 0.332 nan 8.190 nan 0.000 0.449 385 L N 0.139 121.208 121.223 -0.256 0.000 2.056 385 L HA -0.049 4.291 4.340 0.000 0.000 0.207 385 L C 2.526 179.356 176.870 -0.066 0.000 1.078 385 L CA 1.795 56.542 54.840 -0.154 0.000 0.749 385 L CB -0.997 40.898 42.059 -0.272 0.000 0.901 385 L HN 0.473 nan 8.230 nan 0.000 0.433 386 G N -0.866 107.881 108.800 -0.088 0.000 2.441 386 G HA2 -0.133 3.827 3.960 0.000 0.000 0.212 386 G HA3 -0.133 3.827 3.960 0.000 0.000 0.212 386 G C 1.773 176.664 174.900 -0.015 0.000 1.164 386 G CA 0.145 45.225 45.100 -0.033 0.000 0.811 386 G HN 0.162 nan 8.290 nan 0.000 0.535 387 R N -1.417 119.054 120.500 -0.048 0.000 2.064 387 R HA 0.085 4.425 4.340 0.000 0.000 0.221 387 R C 2.211 178.615 176.300 0.173 0.000 1.136 387 R CA 0.503 56.617 56.100 0.022 0.000 0.980 387 R CB -0.228 30.044 30.300 -0.048 0.000 0.876 387 R HN 0.294 nan 8.270 nan 0.000 0.437 388 Y N 0.146 120.384 120.300 -0.104 0.000 2.220 388 Y HA -0.061 4.489 4.550 0.000 0.000 0.291 388 Y C 2.233 178.132 175.900 -0.001 0.000 1.129 388 Y CA 0.556 58.620 58.100 -0.061 0.000 1.161 388 Y CB -0.467 37.928 38.460 -0.109 0.000 0.997 388 Y HN -0.110 nan 8.280 nan 0.000 0.522 389 V N -0.345 119.669 119.914 0.166 0.000 2.339 389 V HA -0.115 4.005 4.120 0.000 0.000 0.234 389 V C 2.427 178.568 176.094 0.078 0.000 1.053 389 V CA 1.515 63.885 62.300 0.116 0.000 1.042 389 V CB -0.646 31.241 31.823 0.106 0.000 0.678 389 V HN 0.091 nan 8.190 nan 0.000 0.475 390 R N 0.010 120.550 120.500 0.066 0.000 2.091 390 R HA -0.196 4.144 4.340 0.000 0.000 0.238 390 R C 2.228 178.552 176.300 0.041 0.000 1.136 390 R CA 2.195 58.327 56.100 0.052 0.000 0.959 390 R CB -0.110 30.220 30.300 0.051 0.000 0.856 390 R HN 0.656 nan 8.270 nan 0.000 0.437 391 E N -0.741 119.484 120.200 0.043 0.000 2.042 391 E HA -0.051 4.299 4.350 0.000 0.000 0.189 391 E C 1.780 178.398 176.600 0.030 0.000 0.974 391 E CA 0.916 57.337 56.400 0.035 0.000 0.806 391 E CB -0.009 29.712 29.700 0.035 0.000 0.769 391 E HN 0.417 nan 8.360 nan 0.000 0.451 392 A N 0.804 123.646 122.820 0.038 0.000 2.132 392 A HA -0.004 4.317 4.320 0.000 0.000 0.213 392 A C 0.409 177.995 177.584 0.004 0.000 1.154 392 A CA -0.033 52.010 52.037 0.010 0.000 0.753 392 A CB 0.011 19.000 19.000 -0.018 0.000 0.826 392 A HN 0.084 nan 8.150 nan 0.000 0.469 393 R N -1.135 119.380 120.500 0.026 0.000 3.416 393 R HA -0.191 4.149 4.340 0.000 0.000 0.263 393 R C 0.492 176.799 176.300 0.011 0.000 1.053 393 R CA 0.892 57.006 56.100 0.023 0.000 0.705 393 R CB -3.027 27.279 30.300 0.011 0.000 1.124 393 R HN 0.587 nan 8.270 nan 0.000 0.444 394 L N -0.859 120.374 121.223 0.017 0.000 2.201 394 L HA 0.008 4.348 4.340 0.000 0.000 0.212 394 L C 1.491 178.362 176.870 0.002 0.000 1.105 394 L CA 1.713 56.548 54.840 -0.009 0.000 0.775 394 L CB -0.181 41.865 42.059 -0.022 0.000 0.913 394 L HN 0.470 nan 8.230 nan 0.000 0.440 395 M N -3.220 116.402 119.600 0.037 0.000 2.895 395 M HA 0.351 4.831 4.480 0.000 0.000 0.271 395 M C -0.325 176.003 176.300 0.048 0.000 1.174 395 M CA -0.870 54.442 55.300 0.020 0.000 0.816 395 M CB 1.470 34.065 32.600 -0.009 0.000 1.647 395 M HN -0.164 nan 8.290 nan 0.000 0.506 396 T N -0.680 113.896 114.554 0.037 0.000 2.813 396 T HA 0.298 4.648 4.350 0.000 0.000 0.297 396 T C 0.754 175.505 174.700 0.084 0.000 1.036 396 T CA -0.556 61.575 62.100 0.051 0.000 1.044 396 T CB 0.986 69.877 68.868 0.039 0.000 0.993 396 T HN 0.694 nan 8.240 nan 0.000 0.535 397 L N 0.741 122.024 121.223 0.100 0.000 2.083 397 L HA 0.056 4.396 4.340 0.000 0.000 0.209 397 L C 2.509 179.476 176.870 0.162 0.000 1.083 397 L CA 1.811 56.742 54.840 0.152 0.000 0.752 397 L CB -1.200 40.966 42.059 0.178 0.000 0.899 397 L HN 0.831 nan 8.230 nan 0.000 0.433 398 E N -0.689 119.586 120.200 0.126 0.000 2.077 398 E HA -0.244 4.107 4.350 0.000 0.000 0.193 398 E C 2.210 178.876 176.600 0.110 0.000 0.989 398 E CA 1.563 58.037 56.400 0.124 0.000 0.800 398 E CB -0.197 29.560 29.700 0.095 0.000 0.746 398 E HN 0.610 nan 8.360 nan 0.000 0.452 399 Q N -0.178 119.670 119.800 0.080 0.000 2.079 399 Q HA -0.072 4.269 4.340 0.000 0.000 0.200 399 Q C 2.270 178.311 176.000 0.068 0.000 0.974 399 Q CA 1.298 57.131 55.803 0.050 0.000 0.840 399 Q CB -0.186 28.558 28.738 0.010 0.000 0.898 399 Q HN 0.305 nan 8.270 nan 0.000 0.430 400 A N 0.455 123.341 122.820 0.110 0.000 1.902 400 A HA -0.129 4.191 4.320 0.000 0.000 0.217 400 A C 2.340 180.016 177.584 0.153 0.000 1.181 400 A CA 1.249 53.387 52.037 0.169 0.000 0.623 400 A CB -0.694 18.424 19.000 0.197 0.000 0.818 400 A HN 0.207 nan 8.150 nan 0.000 0.443 401 V N -0.082 119.935 119.914 0.172 0.000 2.407 401 V HA -0.255 3.865 4.120 0.000 0.000 0.248 401 V C 3.028 179.252 176.094 0.217 0.000 1.055 401 V CA 1.858 64.297 62.300 0.231 0.000 1.049 401 V CB -1.177 30.842 31.823 0.327 0.000 0.662 401 V HN 0.618 nan 8.190 nan 0.000 0.455 402 A N -0.084 122.836 122.820 0.167 0.000 1.933 402 A HA -0.192 4.129 4.320 0.000 0.000 0.218 402 A C 2.290 179.959 177.584 0.142 0.000 1.175 402 A CA 1.366 53.488 52.037 0.142 0.000 0.628 402 A CB -0.418 18.640 19.000 0.098 0.000 0.814 402 A HN 0.401 nan 8.150 nan 0.000 0.444 403 R N -0.625 119.952 120.500 0.129 0.000 2.152 403 R HA 0.025 4.365 4.340 0.000 0.000 0.232 403 R C 1.490 177.912 176.300 0.203 0.000 1.117 403 R CA 1.293 57.475 56.100 0.138 0.000 0.981 403 R CB -0.585 29.790 30.300 0.125 0.000 0.870 403 R HN 0.658 nan 8.270 nan 0.000 0.451 404 M N -0.558 119.173 119.600 0.219 0.000 2.371 404 M HA 0.063 4.543 4.480 0.000 0.000 0.246 404 M C 1.007 177.513 176.300 0.343 0.000 1.103 404 M CA 0.514 55.992 55.300 0.297 0.000 1.010 404 M CB 0.630 33.354 32.600 0.207 0.000 1.457 404 M HN 0.124 nan 8.290 nan 0.000 0.486 405 T N -3.112 111.615 114.554 0.287 0.000 3.431 405 T HA 0.367 4.717 4.350 0.000 0.000 0.207 405 T C 1.828 176.662 174.700 0.223 0.000 0.979 405 T CA 0.456 62.718 62.100 0.271 0.000 1.141 405 T CB -0.422 68.611 68.868 0.275 0.000 1.278 405 T HN 0.063 nan 8.240 nan 0.000 0.334 406 A N 1.411 124.343 122.820 0.186 0.000 1.908 406 A HA 0.125 4.446 4.320 0.000 0.000 0.218 406 A C 2.374 180.042 177.584 0.141 0.000 1.181 406 A CA 1.922 54.050 52.037 0.152 0.000 0.627 406 A CB -1.131 17.942 19.000 0.122 0.000 0.818 406 A HN 0.515 nan 8.150 nan 0.000 0.445 407 L N 0.442 121.748 121.223 0.138 0.000 1.994 407 L HA -0.043 4.298 4.340 0.000 0.000 0.208 407 L C -0.754 176.206 176.870 0.150 0.000 1.071 407 L CA 2.452 57.362 54.840 0.118 0.000 0.745 407 L CB -1.341 40.783 42.059 0.109 0.000 0.892 407 L HN 0.146 nan 8.230 nan 0.000 0.431 408 P HA -0.134 nan 4.420 nan 0.000 0.215 408 P C 1.578 179.037 177.300 0.264 0.000 1.153 408 P CA 2.025 65.309 63.100 0.307 0.000 0.853 408 P CB -0.219 31.670 31.700 0.314 0.000 0.788 409 A N -0.208 122.756 122.820 0.240 0.000 1.933 409 A HA -0.231 4.089 4.320 0.000 0.000 0.218 409 A C 2.391 180.011 177.584 0.060 0.000 1.175 409 A CA 2.000 54.168 52.037 0.217 0.000 0.628 409 A CB -1.025 18.135 19.000 0.267 0.000 0.814 409 A HN 0.018 nan 8.150 nan 0.000 0.444 410 R N -0.090 120.447 120.500 0.063 0.000 2.062 410 R HA -0.034 4.306 4.340 0.000 0.000 0.229 410 R C 1.798 178.061 176.300 -0.061 0.000 1.128 410 R CA 2.108 58.215 56.100 0.012 0.000 0.960 410 R CB -1.212 29.104 30.300 0.025 0.000 0.855 410 R HN 0.214 nan 8.270 nan 0.000 0.432 411 V N 0.280 120.151 119.914 -0.070 0.000 2.332 411 V HA -0.180 3.940 4.120 0.000 0.000 0.248 411 V C 1.706 177.532 176.094 -0.448 0.000 1.055 411 V CA 1.925 64.088 62.300 -0.227 0.000 1.038 411 V CB -0.543 31.149 31.823 -0.218 0.000 0.651 411 V HN 0.239 nan 8.190 nan 0.000 0.450 412 F N 0.175 119.910 119.950 -0.360 0.000 2.765 412 F HA 0.422 4.949 4.527 0.000 0.000 0.302 412 F C 1.746 177.152 175.800 -0.656 0.000 1.111 412 F CA 0.676 58.319 58.000 -0.596 0.000 1.359 412 F CB -0.132 38.260 39.000 -1.014 0.000 1.097 412 F HN 0.266 nan 8.300 nan 0.000 0.577 413 G N 0.506 109.125 108.800 -0.302 0.000 2.225 413 G HA2 -0.306 3.655 3.960 0.000 0.000 0.264 413 G HA3 -0.306 3.655 3.960 0.000 0.000 0.264 413 G C -0.228 174.689 174.900 0.028 0.000 1.060 413 G CA -0.511 44.521 45.100 -0.114 0.000 0.833 413 G HN 0.128 nan 8.290 nan 0.000 0.498 414 F N 1.295 121.324 119.950 0.132 0.000 2.462 414 F HA 0.634 5.161 4.527 0.000 0.000 0.354 414 F C 1.060 176.926 175.800 0.110 0.000 1.192 414 F CA -1.161 56.903 58.000 0.106 0.000 1.173 414 F CB 0.246 39.301 39.000 0.093 0.000 1.402 414 F HN 0.438 nan 8.300 nan 0.000 0.595 415 A N 2.698 125.689 122.820 0.286 0.000 2.477 415 A HA 0.336 4.656 4.320 0.000 0.000 0.246 415 A C 1.001 178.731 177.584 0.242 0.000 1.078 415 A CA -0.191 51.970 52.037 0.207 0.000 0.770 415 A CB 0.051 19.147 19.000 0.160 0.000 1.011 415 A HN 0.733 nan 8.150 nan 0.000 0.494 416 E N -0.237 120.069 120.200 0.176 0.000 2.791 416 E HA -0.182 4.168 4.350 0.000 0.000 0.271 416 E C -0.189 176.561 176.600 0.249 0.000 1.044 416 E CA 1.495 57.986 56.400 0.151 0.000 0.814 416 E CB -1.486 28.245 29.700 0.053 0.000 1.400 416 E HN 0.807 nan 8.360 nan 0.000 0.423 417 R N -1.403 119.240 120.500 0.239 0.000 2.774 417 R HA 0.541 4.882 4.340 0.000 0.000 0.272 417 R C 0.992 177.408 176.300 0.194 0.000 1.000 417 R CA -0.316 55.914 56.100 0.216 0.000 0.906 417 R CB 1.663 32.071 30.300 0.181 0.000 1.227 417 R HN 0.091 nan 8.270 nan 0.000 0.468 418 G N -0.198 108.700 108.800 0.164 0.000 2.176 418 G HA2 -0.259 3.701 3.960 0.000 0.000 0.253 418 G HA3 -0.259 3.701 3.960 0.000 0.000 0.253 418 G C -0.236 174.752 174.900 0.148 0.000 0.979 418 G CA 0.273 45.477 45.100 0.173 0.000 0.641 418 G HN 0.747 nan 8.290 nan 0.000 0.530 419 V N -2.427 117.560 119.914 0.122 0.000 2.888 419 V HA 0.779 4.900 4.120 0.000 0.000 0.309 419 V C 0.118 176.258 176.094 0.076 0.000 1.114 419 V CA -1.466 60.894 62.300 0.100 0.000 0.940 419 V CB 2.031 33.907 31.823 0.087 0.000 1.021 419 V HN 0.334 nan 8.190 nan 0.000 0.426 420 L N 3.801 125.065 121.223 0.068 0.000 2.302 420 L HA 0.599 4.939 4.340 0.000 0.000 0.285 420 L C -0.024 176.866 176.870 0.033 0.000 1.090 420 L CA 0.193 55.060 54.840 0.046 0.000 0.866 420 L CB 0.297 42.386 42.059 0.049 0.000 1.244 420 L HN 0.813 nan 8.230 nan 0.000 0.435 421 Q N 3.348 123.159 119.800 0.018 0.000 2.418 421 Q HA 0.428 4.768 4.340 0.000 0.000 0.282 421 Q C -2.622 173.367 176.000 -0.018 0.000 1.044 421 Q CA -2.099 53.707 55.803 0.005 0.000 0.813 421 Q CB 2.690 31.435 28.738 0.011 0.000 1.428 421 Q HN 0.233 nan 8.270 nan 0.000 0.402 422 P HA -0.010 nan 4.420 nan 0.000 0.265 422 P C 0.540 177.799 177.300 -0.068 0.000 1.193 422 P CA 1.415 64.490 63.100 -0.042 0.000 0.765 422 P CB 0.433 32.114 31.700 -0.031 0.000 0.823 423 G N 1.721 110.456 108.800 -0.108 0.000 2.258 423 G HA2 -0.191 3.769 3.960 0.000 0.000 0.233 423 G HA3 -0.191 3.769 3.960 0.000 0.000 0.233 423 G C 0.472 175.226 174.900 -0.243 0.000 1.006 423 G CA 0.019 45.020 45.100 -0.165 0.000 0.620 423 G HN 0.844 nan 8.290 nan 0.000 0.511 424 A N -0.204 122.518 122.820 -0.164 0.000 2.332 424 A HA 0.559 4.879 4.320 0.000 0.000 0.258 424 A C 0.261 177.738 177.584 -0.179 0.000 1.087 424 A CA 0.008 51.955 52.037 -0.149 0.000 0.802 424 A CB 0.191 19.181 19.000 -0.017 0.000 1.042 424 A HN 0.688 nan 8.150 nan 0.000 0.489 425 W N 0.076 121.358 121.300 -0.030 0.000 2.193 425 W HA 0.356 5.017 4.660 0.000 0.000 0.338 425 W C 0.959 177.439 176.519 -0.064 0.000 1.310 425 W CA 0.483 57.795 57.345 -0.054 0.000 1.243 425 W CB 0.656 30.073 29.460 -0.071 0.000 1.165 425 W HN 0.757 nan 8.180 nan 0.000 0.566 426 A N 3.347 126.283 122.820 0.193 0.000 3.029 426 A HA 0.053 4.373 4.320 0.000 0.000 0.251 426 A C -0.458 177.129 177.584 0.004 0.000 1.749 426 A CA -0.142 51.925 52.037 0.050 0.000 1.386 426 A CB -0.994 18.002 19.000 -0.006 0.000 1.043 426 A HN 0.452 nan 8.150 nan 0.000 0.638 427 D N 0.716 121.129 120.400 0.022 0.000 2.347 427 D HA 0.436 5.076 4.640 0.000 0.000 0.235 427 D C -0.381 175.884 176.300 -0.058 0.000 1.149 427 D CA 0.396 54.368 54.000 -0.046 0.000 0.850 427 D CB 1.444 42.213 40.800 -0.051 0.000 1.061 427 D HN 0.111 nan 8.370 nan 0.000 0.487 428 V N 1.964 121.825 119.914 -0.089 0.000 2.925 428 V HA 0.497 4.617 4.120 0.000 0.000 0.311 428 V C -0.418 175.628 176.094 -0.079 0.000 1.104 428 V CA -0.984 61.273 62.300 -0.072 0.000 0.954 428 V CB 2.745 34.535 31.823 -0.055 0.000 1.022 428 V HN 0.225 nan 8.190 nan 0.000 0.427 429 V N 4.306 124.164 119.914 -0.093 0.000 2.638 429 V HA 0.716 4.836 4.120 0.000 0.000 0.306 429 V C -1.055 175.073 176.094 0.056 0.000 1.052 429 V CA -0.297 61.946 62.300 -0.095 0.000 0.885 429 V CB 2.204 33.781 31.823 -0.410 0.000 0.999 429 V HN 0.665 nan 8.190 nan 0.000 0.424 430 V N 8.254 128.225 119.914 0.095 0.000 2.417 430 V HA 0.670 4.790 4.120 0.000 0.000 0.291 430 V C -0.425 175.752 176.094 0.139 0.000 1.024 430 V CA -0.396 61.946 62.300 0.069 0.000 0.861 430 V CB 1.124 32.984 31.823 0.062 0.000 0.985 430 V HN 0.860 nan 8.190 nan 0.000 0.436 431 F N 1.329 121.304 119.950 0.041 0.000 2.613 431 F HA 0.654 5.181 4.527 0.000 0.000 0.310 431 F C -0.772 175.069 175.800 0.067 0.000 1.085 431 F CA -1.265 56.766 58.000 0.052 0.000 0.945 431 F CB 1.558 40.608 39.000 0.082 0.000 1.298 431 F HN 0.394 nan 8.300 nan 0.000 0.455 432 D N 4.407 124.966 120.400 0.265 0.000 2.339 432 D HA 0.243 4.884 4.640 0.000 0.000 0.241 432 D C -1.619 174.856 176.300 0.292 0.000 1.183 432 D CA -2.260 51.836 54.000 0.159 0.000 0.859 432 D CB 1.805 42.678 40.800 0.121 0.000 1.067 432 D HN 0.375 nan 8.370 nan 0.000 0.484 433 P HA -0.116 nan 4.420 nan 0.000 0.219 433 P C 0.430 177.835 177.300 0.174 0.000 1.146 433 P CA 0.880 64.153 63.100 0.288 0.000 0.808 433 P CB 0.628 32.411 31.700 0.138 0.000 0.779 434 D N -0.757 119.708 120.400 0.109 0.000 2.305 434 D HA -0.030 4.610 4.640 0.000 0.000 0.206 434 D C 1.814 178.158 176.300 0.074 0.000 0.974 434 D CA 1.584 55.628 54.000 0.072 0.000 0.871 434 D CB -0.087 40.738 40.800 0.042 0.000 0.947 434 D HN 0.354 nan 8.370 nan 0.000 0.516 435 T N -2.168 112.443 114.554 0.094 0.000 2.971 435 T HA 0.098 4.449 4.350 0.000 0.000 0.252 435 T C 0.976 175.728 174.700 0.086 0.000 1.022 435 T CA -0.273 61.874 62.100 0.079 0.000 0.980 435 T CB 0.060 68.972 68.868 0.073 0.000 1.044 435 T HN -0.100 nan 8.240 nan 0.000 0.501 436 V N 2.612 122.602 119.914 0.125 0.000 2.584 436 V HA 0.486 4.606 4.120 0.000 0.000 0.303 436 V C 0.046 176.158 176.094 0.030 0.000 1.035 436 V CA 0.672 63.027 62.300 0.091 0.000 1.172 436 V CB -0.506 31.372 31.823 0.093 0.000 0.896 436 V HN 0.925 nan 8.190 nan 0.000 0.486 437 A N 5.455 128.284 122.820 0.015 0.000 2.590 437 A HA 0.571 4.892 4.320 0.000 0.000 0.294 437 A C -0.918 176.668 177.584 0.003 0.000 1.046 437 A CA -0.409 51.624 52.037 -0.006 0.000 0.684 437 A CB 1.067 20.070 19.000 0.004 0.000 1.279 437 A HN 0.935 nan 8.150 nan 0.000 0.415 438 D N 0.626 121.018 120.400 -0.013 0.000 2.313 438 D HA 0.407 5.048 4.640 0.000 0.000 0.247 438 D C 0.128 176.437 176.300 0.016 0.000 1.094 438 D CA -0.418 53.593 54.000 0.018 0.000 0.925 438 D CB 1.317 42.120 40.800 0.006 0.000 1.188 438 D HN 0.429 nan 8.370 nan 0.000 0.430 439 R N 0.168 120.686 120.500 0.030 0.000 2.469 439 R HA 0.230 4.570 4.340 0.000 0.000 0.250 439 R C 0.059 176.347 176.300 -0.020 0.000 0.909 439 R CA -0.333 55.769 56.100 0.004 0.000 1.050 439 R CB 0.314 30.618 30.300 0.006 0.000 1.256 439 R HN 0.612 nan 8.270 nan 0.000 0.550 440 A N 2.107 124.925 122.820 -0.002 0.000 2.492 440 A HA 0.301 4.621 4.320 0.000 0.000 0.254 440 A C 0.610 178.134 177.584 -0.101 0.000 1.091 440 A CA 0.298 52.309 52.037 -0.044 0.000 0.768 440 A CB 0.003 19.024 19.000 0.036 0.000 1.028 440 A HN 0.271 nan 8.150 nan 0.000 0.498 441 T N -1.193 113.282 114.554 -0.132 0.000 2.927 441 T HA 0.460 4.810 4.350 0.000 0.000 0.286 441 T C 0.643 175.225 174.700 -0.196 0.000 1.040 441 T CA -0.544 61.443 62.100 -0.189 0.000 1.010 441 T CB 0.551 69.385 68.868 -0.058 0.000 1.177 441 T HN 0.616 nan 8.240 nan 0.000 0.546 442 W N 0.378 121.687 121.300 0.016 0.000 2.338 442 W HA -0.003 4.657 4.660 0.000 0.000 0.304 442 W C 1.773 178.279 176.519 -0.021 0.000 1.212 442 W CA 0.954 58.298 57.345 -0.002 0.000 1.264 442 W CB -0.297 29.187 29.460 0.040 0.000 1.142 442 W HN 0.663 nan 8.180 nan 0.000 0.512 443 D N -0.820 119.686 120.400 0.177 0.000 2.249 443 D HA -0.045 4.596 4.640 0.000 0.000 0.205 443 D C 0.219 176.529 176.300 0.016 0.000 0.962 443 D CA 1.086 55.132 54.000 0.077 0.000 0.860 443 D CB -0.140 40.692 40.800 0.053 0.000 0.955 443 D HN 0.280 nan 8.370 nan 0.000 0.505 444 E N 0.661 120.853 120.200 -0.013 0.000 3.374 444 E HA 0.112 4.462 4.350 0.000 0.000 0.223 444 E C -1.963 174.576 176.600 -0.102 0.000 1.210 444 E CA -1.179 55.183 56.400 -0.063 0.000 0.987 444 E CB 1.819 31.479 29.700 -0.068 0.000 1.322 444 E HN 0.056 nan 8.360 nan 0.000 0.404 445 P HA -0.110 nan 4.420 nan 0.000 0.239 445 P C 0.920 178.117 177.300 -0.172 0.000 1.184 445 P CA 0.995 64.035 63.100 -0.099 0.000 0.760 445 P CB 0.083 31.761 31.700 -0.037 0.000 0.884 446 T N -4.005 110.326 114.554 -0.372 0.000 3.085 446 T HA 0.250 4.600 4.350 0.000 0.000 0.264 446 T C 0.641 174.680 174.700 -1.101 0.000 1.019 446 T CA -0.376 61.135 62.100 -0.982 0.000 0.910 446 T CB -0.583 67.841 68.868 -0.738 0.000 1.059 446 T HN -0.075 nan 8.240 nan 0.000 0.542 447 L N 2.452 123.367 121.223 -0.514 0.000 2.455 447 L HA 0.509 4.849 4.340 0.000 0.000 0.272 447 L C 1.011 177.749 176.870 -0.221 0.000 1.174 447 L CA -0.714 53.926 54.840 -0.333 0.000 0.869 447 L CB 0.245 42.209 42.059 -0.157 0.000 1.130 447 L HN 0.307 nan 8.230 nan 0.000 0.474 448 A N 3.444 126.187 122.820 -0.129 0.000 2.351 448 A HA 0.415 4.735 4.320 0.000 0.000 0.257 448 A C 0.456 178.127 177.584 0.145 0.000 1.087 448 A CA -0.376 51.758 52.037 0.162 0.000 0.798 448 A CB 0.375 19.516 19.000 0.235 0.000 1.033 448 A HN 0.738 nan 8.150 nan 0.000 0.488 449 S N -0.872 114.936 115.700 0.181 0.000 2.596 449 S HA 0.425 4.895 4.470 0.000 0.000 0.260 449 S C 0.384 175.041 174.600 0.096 0.000 1.336 449 S CA 0.071 58.335 58.200 0.106 0.000 0.993 449 S CB 0.769 64.014 63.200 0.075 0.000 0.923 449 S HN 1.409 nan 8.310 nan 0.000 0.567 450 V N -2.234 117.725 119.914 0.074 0.000 2.960 450 V HA 0.955 5.075 4.120 0.000 0.000 0.315 450 V C 0.842 176.987 176.094 0.084 0.000 1.087 450 V CA -0.165 62.185 62.300 0.085 0.000 0.982 450 V CB 0.618 32.481 31.823 0.067 0.000 1.039 450 V HN 1.256 nan 8.190 nan 0.000 0.437 451 G N 1.472 110.335 108.800 0.105 0.000 2.195 451 G HA2 -0.167 3.794 3.960 0.000 0.000 0.246 451 G HA3 -0.167 3.794 3.960 0.000 0.000 0.246 451 G C -0.101 174.900 174.900 0.169 0.000 0.984 451 G CA 0.140 45.318 45.100 0.131 0.000 0.633 451 G HN 0.838 nan 8.290 nan 0.000 0.525 452 I N 1.946 122.593 120.570 0.129 0.000 2.301 452 I HA 0.535 4.706 4.170 0.000 0.000 0.292 452 I C 1.545 177.781 176.117 0.198 0.000 1.046 452 I CA 0.408 61.771 61.300 0.106 0.000 1.282 452 I CB 0.609 38.523 38.000 -0.143 0.000 1.409 452 I HN 0.200 nan 8.210 nan 0.000 0.484 453 A N 5.440 128.335 122.820 0.124 0.000 1.903 453 A HA 0.488 4.808 4.320 0.000 0.000 0.213 453 A C 1.052 178.558 177.584 -0.131 0.000 1.185 453 A CA 0.911 52.949 52.037 0.001 0.000 0.628 453 A CB 0.008 18.960 19.000 -0.080 0.000 0.830 453 A HN 0.762 nan 8.150 nan 0.000 0.446 454 G N -2.226 106.507 108.800 -0.111 0.000 2.632 454 G HA2 0.505 4.465 3.960 0.000 0.000 0.292 454 G HA3 0.505 4.465 3.960 0.000 0.000 0.292 454 G C -1.839 173.130 174.900 0.115 0.000 1.465 454 G CA -0.172 44.781 45.100 -0.246 0.000 0.824 454 G HN 0.517 nan 8.290 nan 0.000 0.509 455 V N 1.065 121.160 119.914 0.300 0.000 2.686 455 V HA 0.594 4.714 4.120 0.000 0.000 0.306 455 V C -0.400 175.794 176.094 0.166 0.000 1.065 455 V CA -0.630 61.772 62.300 0.170 0.000 0.894 455 V CB 1.693 33.534 31.823 0.030 0.000 1.004 455 V HN 0.693 nan 8.190 nan 0.000 0.424 456 L N 4.420 125.645 121.223 0.004 0.000 2.346 456 L HA 0.728 5.068 4.340 0.000 0.000 0.276 456 L C -0.861 175.934 176.870 -0.125 0.000 1.006 456 L CA -0.923 53.834 54.840 -0.137 0.000 0.817 456 L CB 2.241 44.104 42.059 -0.325 0.000 1.272 456 L HN 0.359 nan 8.230 nan 0.000 0.421 457 V N 2.362 122.201 119.914 -0.125 0.000 2.350 457 V HA 0.244 4.364 4.120 0.000 0.000 0.285 457 V C 0.080 176.102 176.094 -0.119 0.000 1.014 457 V CA -0.566 61.653 62.300 -0.135 0.000 0.831 457 V CB 1.064 32.796 31.823 -0.151 0.000 1.000 457 V HN 0.953 nan 8.190 nan 0.000 0.433 458 N N 4.188 122.839 118.700 -0.082 0.000 2.721 458 N HA -0.234 4.506 4.740 0.000 0.000 0.249 458 N C 1.133 176.661 175.510 0.030 0.000 1.072 458 N CA 0.733 53.792 53.050 0.015 0.000 0.710 458 N CB -0.804 37.609 38.487 -0.123 0.000 0.993 458 N HN 1.337 nan 8.380 nan 0.000 0.547 459 G N -2.056 106.719 108.800 -0.040 0.000 2.205 459 G HA2 -0.203 3.757 3.960 0.000 0.000 0.261 459 G HA3 -0.203 3.757 3.960 0.000 0.000 0.261 459 G C 0.157 174.974 174.900 -0.139 0.000 0.980 459 G CA 0.421 45.466 45.100 -0.091 0.000 0.632 459 G HN 1.012 nan 8.290 nan 0.000 0.533 460 A N 0.136 122.886 122.820 -0.117 0.000 2.305 460 A HA 0.715 5.035 4.320 0.000 0.000 0.322 460 A C 0.241 177.750 177.584 -0.124 0.000 1.187 460 A CA 0.209 52.188 52.037 -0.096 0.000 0.825 460 A CB 0.832 19.800 19.000 -0.054 0.000 1.164 460 A HN 0.543 nan 8.150 nan 0.000 0.498 461 E N 1.248 121.392 120.200 -0.093 0.000 2.376 461 E HA 0.249 4.599 4.350 0.000 0.000 0.266 461 E C 0.516 177.146 176.600 0.049 0.000 1.009 461 E CA 0.261 56.673 56.400 0.019 0.000 0.902 461 E CB 0.606 30.407 29.700 0.168 0.000 0.972 461 E HN 0.651 nan 8.360 nan 0.000 0.439 462 V N 2.380 122.347 119.914 0.089 0.000 3.548 462 V HA 0.415 4.535 4.120 0.000 0.000 0.279 462 V C -0.148 176.041 176.094 0.158 0.000 1.446 462 V CA -0.343 61.998 62.300 0.069 0.000 1.023 462 V CB -0.020 31.808 31.823 0.009 0.000 0.820 462 V HN 0.506 nan 8.190 nan 0.000 0.438 463 F N 1.758 121.727 119.950 0.032 0.000 2.615 463 F HA 0.717 5.244 4.527 0.000 0.000 0.312 463 F C -2.502 173.308 175.800 0.016 0.000 1.119 463 F CA -1.589 56.418 58.000 0.011 0.000 0.979 463 F CB 2.715 41.698 39.000 -0.028 0.000 1.266 463 F HN -0.206 nan 8.300 nan 0.000 0.444 464 P HA -0.094 nan 4.420 nan 0.000 0.225 464 P C -0.415 176.578 177.300 -0.512 0.000 1.156 464 P CA 1.088 63.422 63.100 -1.275 0.000 0.787 464 P CB 0.402 31.538 31.700 -0.940 0.000 0.802 465 Q N 1.417 121.096 119.800 -0.203 0.000 2.400 465 Q HA 0.330 4.670 4.340 0.000 0.000 0.255 465 Q C -2.249 173.746 176.000 -0.009 0.000 1.008 465 Q CA -2.156 53.600 55.803 -0.077 0.000 0.841 465 Q CB 1.640 30.361 28.738 -0.027 0.000 1.220 465 Q HN 0.286 nan 8.270 nan 0.000 0.474 466 P HA 0.221 nan 4.420 nan 0.000 0.274 466 P C -2.397 174.908 177.300 0.007 0.000 1.237 466 P CA -1.255 61.853 63.100 0.014 0.000 0.793 466 P CB 0.156 31.866 31.700 0.017 0.000 0.977 467 P HA 0.046 nan 4.420 nan 0.000 0.269 467 P C 0.436 177.736 177.300 0.002 0.000 1.209 467 P CA -0.043 63.057 63.100 -0.001 0.000 0.776 467 P CB 0.589 32.282 31.700 -0.011 0.000 0.876 468 A N 2.762 125.584 122.820 0.004 0.000 1.898 468 A HA -0.054 4.266 4.320 0.000 0.000 0.214 468 A C 1.000 178.587 177.584 0.005 0.000 1.183 468 A CA 1.459 53.500 52.037 0.007 0.000 0.622 468 A CB -0.634 18.372 19.000 0.009 0.000 0.824 468 A HN 0.537 nan 8.150 nan 0.000 0.444 469 D N -1.209 119.192 120.400 0.001 0.000 2.387 469 D HA 0.438 5.078 4.640 0.000 0.000 0.264 469 D C 1.099 177.393 176.300 -0.009 0.000 1.216 469 D CA 0.491 54.490 54.000 -0.001 0.000 1.138 469 D CB -0.720 40.079 40.800 -0.001 0.000 1.176 469 D HN 0.277 nan 8.370 nan 0.000 0.522 470 G N -0.138 108.653 108.800 -0.014 0.000 2.321 470 G HA2 0.141 4.101 3.960 0.000 0.000 0.237 470 G HA3 0.141 4.101 3.960 0.000 0.000 0.237 470 G C -0.203 174.675 174.900 -0.037 0.000 1.282 470 G CA -0.056 45.028 45.100 -0.027 0.000 0.886 470 G HN 0.121 nan 8.290 nan 0.000 0.528 471 R N 2.957 123.426 120.500 -0.051 0.000 2.528 471 R HA 0.251 4.591 4.340 0.000 0.000 0.271 471 R C -1.380 174.862 176.300 -0.096 0.000 1.056 471 R CA -1.524 54.536 56.100 -0.067 0.000 1.117 471 R CB 1.287 31.545 30.300 -0.070 0.000 1.085 471 R HN 0.421 nan 8.270 nan 0.000 0.530 472 P HA 0.010 nan 4.420 nan 0.000 0.245 472 P C 0.353 177.532 177.300 -0.203 0.000 1.206 472 P CA 0.253 63.271 63.100 -0.136 0.000 0.781 472 P CB 0.355 31.989 31.700 -0.111 0.000 0.994 473 G N 0.700 109.368 108.800 -0.219 0.000 2.491 473 G HA2 0.143 4.103 3.960 0.000 0.000 0.238 473 G HA3 0.143 4.103 3.960 0.000 0.000 0.238 473 G C -0.459 174.230 174.900 -0.351 0.000 1.277 473 G CA -0.156 44.767 45.100 -0.295 0.000 0.851 473 G HN 0.212 nan 8.290 nan 0.000 0.573 474 Q N -0.234 119.307 119.800 -0.431 0.000 2.301 474 Q HA 0.431 4.771 4.340 0.000 0.000 0.267 474 Q C -0.680 175.016 176.000 -0.506 0.000 1.035 474 Q CA -0.918 54.607 55.803 -0.464 0.000 0.856 474 Q CB 2.863 31.269 28.738 -0.553 0.000 1.337 474 Q HN 0.338 nan 8.270 nan 0.000 0.450 475 V N 3.280 122.884 119.914 -0.516 0.000 2.427 475 V HA 0.103 4.223 4.120 0.000 0.000 0.268 475 V C 0.049 175.804 176.094 -0.564 0.000 1.046 475 V CA -0.130 61.788 62.300 -0.637 0.000 0.970 475 V CB 0.302 31.657 31.823 -0.780 0.000 1.001 475 V HN 0.588 nan 8.190 nan 0.000 0.476 476 L N 6.822 127.739 121.223 -0.510 0.000 2.399 476 L HA 0.349 4.689 4.340 0.000 0.000 0.257 476 L C 0.850 177.591 176.870 -0.214 0.000 1.236 476 L CA -0.096 54.531 54.840 -0.354 0.000 1.144 476 L CB -0.490 41.319 42.059 -0.416 0.000 1.379 476 L HN 0.559 nan 8.230 nan 0.000 0.414 477 R N 1.662 122.017 120.500 -0.241 0.000 2.401 477 R HA 0.384 4.724 4.340 0.000 0.000 0.299 477 R C 0.537 176.870 176.300 0.055 0.000 1.064 477 R CA -0.240 55.806 56.100 -0.089 0.000 1.000 477 R CB 0.946 31.192 30.300 -0.090 0.000 0.973 477 R HN 0.591 nan 8.270 nan 0.000 0.438 478 A N 0.000 122.905 122.820 0.142 0.000 2.254 478 A HA 0.000 4.320 4.320 0.000 0.000 0.244 478 A CA 0.000 52.127 52.037 0.150 0.000 0.836 478 A CB 0.000 19.105 19.000 0.175 0.000 0.831 478 A HN 0.000 nan 8.150 nan 0.000 0.486