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 2qyg_1_C DATA FIRST_RESID 1 DATA SEQUENCE MTPDDIAGFY AKRADLDLDN YIELDFDFEC AGDPHEAAAH LCSEQSTAQW DATA SEQUENCE RRVGFDEDFR PRFAAKVLEL SAEPRPSGFS VPVECAARGP VHACRVTIAH DATA SEQUENCE PHGNFGAKIP NLLSAVCGEG VFFSPGIPLI RLQDIRFPEP YLAAFDGPRF DATA SEQUENCE GIAGVRERLQ AFDRPIFFGV IKPNIGLPPQ PFAELGYQSW TGGLDIAKDD DATA SEQUENCE EMLADVDWCP LAERAALLGD ACRRASAETG VPKIYLANIT DEVDRLTELH DATA SEQUENCE DVAVANGAGA LLINAMPVGL SAVRMLRKHA TVPLIAHFPF IAAFSRLANY DATA SEQUENCE GIHSRVMTRL QRLAGFDVVI MPGFGPRMMT PEHEVLDCIR ACLEPMGPIK DATA SEQUENCE PCLPVPGGSD SAATLENVYR KVGSADFGFV PGRGVFGHPM GPAAGATSIR DATA SEQUENCE QAWDAIAAGI PVPDHAASHP ELAAALRAF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.253 32.600 -0.578 0.000 1.302 2 T N 1.526 116.135 114.554 0.092 0.000 2.720 2 T HA -0.010 4.341 4.350 0.002 0.000 0.268 2 T C -1.221 173.531 174.700 0.086 0.000 1.037 2 T CA 1.589 63.750 62.100 0.102 0.000 1.144 2 T CB -1.394 67.536 68.868 0.102 0.000 0.864 2 T HN 0.445 nan 8.240 nan 0.000 0.444 3 P HA 0.242 nan 4.420 nan 0.000 0.338 3 P C -0.264 177.087 177.300 0.085 0.000 1.417 3 P CA 0.260 63.410 63.100 0.083 0.000 0.868 3 P CB 0.336 32.089 31.700 0.087 0.000 2.131 4 D N -0.865 119.585 120.400 0.084 0.000 2.525 4 D HA 0.042 4.683 4.640 0.002 0.000 0.229 4 D C 0.522 176.878 176.300 0.094 0.000 1.202 4 D CA 0.058 54.099 54.000 0.068 0.000 0.828 4 D CB -0.420 40.401 40.800 0.034 0.000 1.008 4 D HN 0.146 nan 8.370 nan 0.000 0.493 5 D N 0.564 121.066 120.400 0.169 0.000 2.221 5 D HA -0.135 4.506 4.640 0.002 0.000 0.204 5 D C 2.110 178.509 176.300 0.166 0.000 0.982 5 D CA 0.445 54.584 54.000 0.231 0.000 0.857 5 D CB 0.198 41.316 40.800 0.529 0.000 0.934 5 D HN 0.363 nan 8.370 nan 0.000 0.475 6 I N 1.283 121.956 120.570 0.172 0.000 2.264 6 I HA -0.298 3.873 4.170 0.002 0.000 0.248 6 I C 2.517 178.781 176.117 0.245 0.000 1.111 6 I CA 1.017 62.452 61.300 0.225 0.000 1.382 6 I CB -0.264 37.822 38.000 0.145 0.000 1.060 6 I HN -0.047 nan 8.210 nan 0.000 0.418 7 A N 1.000 123.874 122.820 0.090 0.000 1.903 7 A HA -0.228 4.093 4.320 0.002 0.000 0.219 7 A C 2.392 179.992 177.584 0.026 0.000 1.191 7 A CA 2.152 54.210 52.037 0.035 0.000 0.638 7 A CB -1.563 17.423 19.000 -0.022 0.000 0.823 7 A HN 0.487 nan 8.150 nan 0.000 0.451 8 G N -2.565 106.154 108.800 -0.134 0.000 2.625 8 G HA2 0.025 3.986 3.960 0.002 0.000 0.214 8 G HA3 0.025 3.986 3.960 0.002 0.000 0.214 8 G C 0.818 175.416 174.900 -0.504 0.000 1.132 8 G CA 0.626 45.497 45.100 -0.382 0.000 0.782 8 G HN 0.479 nan 8.290 nan 0.000 0.538 9 F N -0.989 118.912 119.950 -0.081 0.000 2.639 9 F HA 0.451 4.979 4.527 0.002 0.000 0.302 9 F C -0.168 175.524 175.800 -0.181 0.000 1.097 9 F CA -0.783 57.129 58.000 -0.147 0.000 1.294 9 F CB 0.423 39.301 39.000 -0.203 0.000 1.027 9 F HN -0.081 nan 8.300 nan 0.000 0.550 10 Y N 0.241 120.555 120.300 0.023 0.000 2.524 10 Y HA 0.773 5.324 4.550 0.002 0.000 0.344 10 Y C -0.026 175.844 175.900 -0.049 0.000 1.012 10 Y CA -1.696 56.408 58.100 0.007 0.000 1.068 10 Y CB 1.800 40.280 38.460 0.034 0.000 1.249 10 Y HN -0.142 nan 8.280 nan 0.000 0.468 11 A N 1.729 124.603 122.820 0.089 0.000 2.604 11 A HA 0.768 5.090 4.320 0.002 0.000 0.295 11 A C -1.688 175.895 177.584 -0.003 0.000 1.067 11 A CA -1.180 50.855 52.037 -0.004 0.000 0.683 11 A CB 1.405 20.344 19.000 -0.102 0.000 1.281 11 A HN 0.608 nan 8.150 nan 0.000 0.407 12 K N 0.438 120.827 120.400 -0.018 0.000 2.143 12 K HA 0.532 4.854 4.320 0.002 0.000 0.272 12 K C 1.072 177.643 176.600 -0.048 0.000 1.001 12 K CA -0.606 55.670 56.287 -0.018 0.000 0.915 12 K CB 1.102 33.597 32.500 -0.009 0.000 1.047 12 K HN 0.668 nan 8.250 nan 0.000 0.458 13 R N 1.841 122.315 120.500 -0.043 0.000 2.133 13 R HA -0.306 4.035 4.340 0.002 0.000 0.245 13 R C 1.822 178.096 176.300 -0.044 0.000 1.137 13 R CA 2.444 58.513 56.100 -0.051 0.000 0.947 13 R CB -0.646 29.637 30.300 -0.028 0.000 0.865 13 R HN 0.861 nan 8.270 nan 0.000 0.437 14 A N 0.564 123.368 122.820 -0.027 0.000 1.958 14 A HA -0.247 4.075 4.320 0.002 0.000 0.221 14 A C 1.524 179.094 177.584 -0.024 0.000 1.178 14 A CA 2.236 54.261 52.037 -0.019 0.000 0.642 14 A CB -0.569 18.424 19.000 -0.013 0.000 0.816 14 A HN 0.396 nan 8.150 nan 0.000 0.453 15 D N -0.881 119.497 120.400 -0.036 0.000 2.323 15 D HA 0.129 4.770 4.640 0.002 0.000 0.209 15 D C 0.455 176.729 176.300 -0.043 0.000 0.973 15 D CA 0.406 54.384 54.000 -0.038 0.000 0.874 15 D CB 0.034 40.808 40.800 -0.043 0.000 0.930 15 D HN 0.405 nan 8.370 nan 0.000 0.521 16 L N 1.057 122.240 121.223 -0.066 0.000 2.322 16 L HA 0.221 4.563 4.340 0.002 0.000 0.279 16 L C 0.367 177.245 176.870 0.014 0.000 1.036 16 L CA -0.912 53.891 54.840 -0.061 0.000 0.807 16 L CB 1.653 43.561 42.059 -0.253 0.000 1.226 16 L HN -0.284 nan 8.230 nan 0.000 0.433 17 D N 2.863 123.313 120.400 0.085 0.000 2.398 17 D HA 0.061 4.702 4.640 0.002 0.000 0.250 17 D C 1.058 177.467 176.300 0.181 0.000 1.287 17 D CA 0.193 54.252 54.000 0.099 0.000 0.992 17 D CB 0.728 41.574 40.800 0.076 0.000 1.071 17 D HN 0.446 nan 8.370 nan 0.000 0.514 18 L N 2.413 123.713 121.223 0.128 0.000 2.447 18 L HA -0.156 4.185 4.340 0.002 0.000 0.225 18 L C 1.332 178.330 176.870 0.214 0.000 1.148 18 L CA 0.627 55.564 54.840 0.162 0.000 0.808 18 L CB -0.023 42.082 42.059 0.077 0.000 0.928 18 L HN 0.280 nan 8.230 nan 0.000 0.448 19 D N -0.109 120.392 120.400 0.170 0.000 2.348 19 D HA -0.086 4.556 4.640 0.002 0.000 0.216 19 D C 1.317 177.731 176.300 0.190 0.000 0.970 19 D CA 0.676 54.779 54.000 0.172 0.000 0.889 19 D CB 0.029 40.905 40.800 0.127 0.000 0.912 19 D HN 0.346 nan 8.370 nan 0.000 0.524 20 N N -0.480 118.241 118.700 0.036 0.000 2.230 20 N HA -0.002 4.739 4.740 0.002 0.000 0.202 20 N C -0.610 174.442 175.510 -0.765 0.000 1.119 20 N CA 0.046 52.825 53.050 -0.450 0.000 0.851 20 N CB 0.530 38.671 38.487 -0.576 0.000 0.990 20 N HN 0.216 nan 8.380 nan 0.000 0.497 21 Y N -0.078 120.201 120.300 -0.035 0.000 2.477 21 Y HA 0.513 5.064 4.550 0.002 0.000 0.347 21 Y C -0.015 175.946 175.900 0.102 0.000 0.981 21 Y CA -0.824 57.283 58.100 0.011 0.000 1.033 21 Y CB 1.936 40.390 38.460 -0.011 0.000 1.245 21 Y HN -0.237 nan 8.280 nan 0.000 0.455 22 I N 2.726 123.438 120.570 0.237 0.000 2.359 22 I HA 0.234 4.405 4.170 0.002 0.000 0.294 22 I C -0.294 175.869 176.117 0.077 0.000 0.987 22 I CA -0.496 60.856 61.300 0.087 0.000 1.225 22 I CB 1.135 39.156 38.000 0.034 0.000 1.366 22 I HN 0.564 nan 8.210 nan 0.000 0.466 23 E N 6.724 126.906 120.200 -0.030 0.000 2.301 23 E HA 0.558 4.909 4.350 0.002 0.000 0.275 23 E C -1.142 175.386 176.600 -0.119 0.000 1.030 23 E CA -0.514 55.861 56.400 -0.042 0.000 0.852 23 E CB 1.667 31.334 29.700 -0.055 0.000 1.060 23 E HN 0.385 nan 8.360 nan 0.000 0.401 24 L N 2.518 123.689 121.223 -0.086 0.000 2.408 24 L HA 0.403 4.744 4.340 0.002 0.000 0.268 24 L C -0.825 175.900 176.870 -0.242 0.000 0.986 24 L CA -0.915 53.792 54.840 -0.222 0.000 0.820 24 L CB 2.024 43.983 42.059 -0.167 0.000 1.303 24 L HN 0.347 nan 8.230 nan 0.000 0.411 25 D N 3.000 123.173 120.400 -0.379 0.000 2.381 25 D HA 0.471 5.112 4.640 0.002 0.000 0.235 25 D C -1.010 175.089 176.300 -0.335 0.000 1.068 25 D CA 0.005 53.866 54.000 -0.232 0.000 0.832 25 D CB 1.885 42.605 40.800 -0.134 0.000 1.101 25 D HN 0.102 nan 8.370 nan 0.000 0.515 26 F N 0.920 120.898 119.950 0.047 0.000 2.508 26 F HA 0.265 4.794 4.527 0.002 0.000 0.325 26 F C 0.408 176.286 175.800 0.130 0.000 1.090 26 F CA -0.878 57.172 58.000 0.084 0.000 0.945 26 F CB 1.783 40.843 39.000 0.100 0.000 1.156 26 F HN -0.012 nan 8.300 nan 0.000 0.463 27 D N 3.092 123.676 120.400 0.306 0.000 2.217 27 D HA 0.556 5.197 4.640 0.002 0.000 0.243 27 D C -0.856 175.618 176.300 0.289 0.000 1.054 27 D CA 0.012 54.124 54.000 0.188 0.000 0.838 27 D CB 1.520 42.385 40.800 0.109 0.000 1.162 27 D HN 0.319 nan 8.370 nan 0.000 0.472 28 F N -1.432 118.580 119.950 0.103 0.000 2.711 28 F HA 0.645 5.173 4.527 0.002 0.000 0.313 28 F C -1.166 174.711 175.800 0.128 0.000 1.141 28 F CA -1.121 56.937 58.000 0.098 0.000 0.941 28 F CB 1.426 40.447 39.000 0.035 0.000 1.349 28 F HN 0.026 nan 8.300 nan 0.000 0.464 29 E N 1.254 121.721 120.200 0.444 0.000 2.222 29 E HA 0.615 4.966 4.350 0.002 0.000 0.267 29 E C -1.359 175.620 176.600 0.632 0.000 0.884 29 E CA -0.952 55.699 56.400 0.419 0.000 0.764 29 E CB 2.251 32.233 29.700 0.470 0.000 1.169 29 E HN 0.947 nan 8.360 nan 0.000 0.413 30 C N 0.142 119.758 119.300 0.527 0.000 3.080 30 C HA 0.945 5.406 4.460 0.002 0.000 0.307 30 C C -0.209 174.995 174.990 0.357 0.000 1.311 30 C CA -0.866 58.447 59.018 0.492 0.000 1.533 30 C CB 0.608 28.629 27.740 0.468 0.000 1.970 30 C HN 0.822 nan 8.230 nan 0.000 0.467 31 A N 1.476 124.495 122.820 0.332 0.000 2.312 31 A HA 0.922 5.244 4.320 0.002 0.000 0.326 31 A C 0.779 178.480 177.584 0.194 0.000 1.172 31 A CA 0.777 52.944 52.037 0.218 0.000 0.821 31 A CB 0.092 19.233 19.000 0.234 0.000 1.166 31 A HN 3.137 nan 8.150 nan 0.000 0.493 32 G N 1.037 109.948 108.800 0.186 0.000 2.645 32 G HA2 -0.084 3.877 3.960 0.002 0.000 0.239 32 G HA3 -0.084 3.877 3.960 0.002 0.000 0.239 32 G C -0.205 174.794 174.900 0.166 0.000 1.331 32 G CA 0.124 45.326 45.100 0.169 0.000 0.890 32 G HN 1.214 nan 8.290 nan 0.000 0.572 33 D N 1.603 122.070 120.400 0.112 0.000 2.520 33 D HA 0.222 4.863 4.640 0.002 0.000 0.243 33 D C 0.076 176.412 176.300 0.060 0.000 1.160 33 D CA -0.769 53.268 54.000 0.062 0.000 0.877 33 D CB 1.010 41.868 40.800 0.097 0.000 1.150 33 D HN 0.147 nan 8.370 nan 0.000 0.494 34 P HA -0.139 nan 4.420 nan 0.000 0.226 34 P C 1.001 178.331 177.300 0.051 0.000 1.153 34 P CA 0.995 64.092 63.100 -0.006 0.000 0.777 34 P CB 0.253 31.829 31.700 -0.206 0.000 0.794 35 H N 0.374 119.489 119.070 0.075 0.000 2.343 35 H HA 0.032 4.589 4.556 0.002 0.000 0.303 35 H C 1.990 177.430 175.328 0.186 0.000 1.068 35 H CA 1.014 57.150 56.048 0.147 0.000 1.359 35 H CB -0.000 29.782 29.762 0.035 0.000 1.402 35 H HN 0.247 nan 8.280 nan 0.000 0.515 36 E N 0.717 121.066 120.200 0.249 0.000 2.085 36 E HA -0.160 4.191 4.350 0.002 0.000 0.194 36 E C 2.380 179.109 176.600 0.216 0.000 0.994 36 E CA 0.858 57.381 56.400 0.205 0.000 0.801 36 E CB -0.007 29.819 29.700 0.209 0.000 0.743 36 E HN 0.360 nan 8.360 nan 0.000 0.453 37 A N 1.521 124.456 122.820 0.191 0.000 1.883 37 A HA -0.166 4.155 4.320 0.002 0.000 0.217 37 A C 2.411 179.981 177.584 -0.023 0.000 1.186 37 A CA 1.996 54.100 52.037 0.112 0.000 0.624 37 A CB -0.668 18.419 19.000 0.146 0.000 0.822 37 A HN 0.312 nan 8.150 nan 0.000 0.444 38 A N -0.239 122.595 122.820 0.023 0.000 1.902 38 A HA 0.158 4.479 4.320 0.002 0.000 0.217 38 A C 2.532 180.001 177.584 -0.191 0.000 1.181 38 A CA 2.197 54.183 52.037 -0.086 0.000 0.623 38 A CB -1.098 17.916 19.000 0.022 0.000 0.818 38 A HN 1.102 nan 8.150 nan 0.000 0.443 39 A N -0.772 121.984 122.820 -0.107 0.000 1.865 39 A HA -0.236 4.085 4.320 0.002 0.000 0.217 39 A C 1.942 179.220 177.584 -0.510 0.000 1.191 39 A CA 2.024 53.894 52.037 -0.278 0.000 0.623 39 A CB -1.085 17.887 19.000 -0.047 0.000 0.826 39 A HN 0.708 nan 8.150 nan 0.000 0.444 40 H N -1.578 117.316 119.070 -0.293 0.000 2.426 40 H HA -0.124 4.433 4.556 0.002 0.000 0.298 40 H C 1.878 177.023 175.328 -0.305 0.000 1.107 40 H CA 1.594 57.483 56.048 -0.265 0.000 1.298 40 H CB -0.011 29.663 29.762 -0.148 0.000 1.377 40 H HN 0.416 nan 8.280 nan 0.000 0.519 41 L N -0.436 120.658 121.223 -0.216 0.000 2.179 41 L HA -0.081 4.260 4.340 0.002 0.000 0.208 41 L C 1.885 178.582 176.870 -0.288 0.000 1.096 41 L CA 1.171 55.825 54.840 -0.311 0.000 0.779 41 L CB -0.436 41.333 42.059 -0.483 0.000 0.922 41 L HN 0.338 nan 8.230 nan 0.000 0.443 42 C N -1.635 117.473 119.300 -0.321 0.000 2.466 42 C HA -0.062 4.400 4.460 0.002 0.000 0.278 42 C C 3.048 177.897 174.990 -0.234 0.000 1.288 42 C CA 0.943 59.814 59.018 -0.245 0.000 1.722 42 C CB -0.737 26.872 27.740 -0.219 0.000 2.017 42 C HN 0.681 nan 8.230 nan 0.000 0.488 43 S N 0.647 116.032 115.700 -0.526 0.000 2.354 43 S HA -0.185 4.286 4.470 0.002 0.000 0.219 43 S C 1.897 176.494 174.600 -0.005 0.000 1.035 43 S CA 1.716 59.722 58.200 -0.325 0.000 1.037 43 S CB -0.296 62.642 63.200 -0.436 0.000 0.956 43 S HN 0.556 nan 8.310 nan 0.000 0.428 44 E N 0.902 121.089 120.200 -0.022 0.000 2.130 44 E HA -0.189 4.162 4.350 0.002 0.000 0.196 44 E C 2.048 178.686 176.600 0.063 0.000 0.998 44 E CA 1.027 57.451 56.400 0.041 0.000 0.806 44 E CB -0.552 29.157 29.700 0.015 0.000 0.738 44 E HN 0.702 nan 8.360 nan 0.000 0.459 45 Q N 0.197 120.019 119.800 0.037 0.000 2.378 45 Q HA -0.066 4.275 4.340 0.002 0.000 0.205 45 Q C 1.115 177.247 176.000 0.218 0.000 0.954 45 Q CA 1.116 56.990 55.803 0.119 0.000 0.901 45 Q CB 0.325 29.114 28.738 0.084 0.000 0.981 45 Q HN 0.309 nan 8.270 nan 0.000 0.483 46 S N -2.149 113.642 115.700 0.152 0.000 3.733 46 S HA 0.050 4.521 4.470 0.002 0.000 0.178 46 S C 1.646 176.380 174.600 0.222 0.000 1.032 46 S CA 0.306 58.613 58.200 0.178 0.000 1.191 46 S CB -0.345 62.882 63.200 0.045 0.000 1.657 46 S HN 0.328 nan 8.310 nan 0.000 0.863 47 T N 0.637 115.372 114.554 0.301 0.000 2.564 47 T HA 0.243 4.595 4.350 0.002 0.000 0.259 47 T C 1.875 176.815 174.700 0.400 0.000 1.087 47 T CA 2.636 64.975 62.100 0.398 0.000 1.184 47 T CB -1.516 67.686 68.868 0.557 0.000 0.864 47 T HN 1.949 nan 8.240 nan 0.000 0.403 48 A N 0.318 123.448 122.820 0.517 0.000 4.287 48 A HA -0.240 4.081 4.320 0.002 0.000 0.258 48 A C 0.776 178.550 177.584 0.317 0.000 0.811 48 A CA 1.824 54.102 52.037 0.401 0.000 1.245 48 A CB -2.010 17.114 19.000 0.207 0.000 1.055 48 A HN 0.945 nan 8.150 nan 0.000 0.763 49 Q N -2.009 117.991 119.800 0.332 0.000 2.334 49 Q HA 0.480 4.821 4.340 0.002 0.000 0.249 49 Q C -0.202 175.921 176.000 0.205 0.000 0.909 49 Q CA 0.027 55.824 55.803 -0.010 0.000 0.823 49 Q CB 0.692 29.417 28.738 -0.022 0.000 1.353 49 Q HN 0.936 nan 8.270 nan 0.000 0.433 50 W N 3.209 124.533 121.300 0.041 0.000 2.940 50 W HA 0.399 5.060 4.660 0.002 0.000 0.297 50 W C 0.121 176.235 176.519 -0.675 0.000 1.149 50 W CA -0.436 56.794 57.345 -0.191 0.000 1.564 50 W CB 0.474 29.860 29.460 -0.124 0.000 1.010 50 W HN 0.199 nan 8.180 nan 0.000 0.578 51 R N 1.469 121.658 120.500 -0.518 0.000 2.705 51 R HA 0.675 5.016 4.340 0.002 0.000 0.246 51 R C -0.356 175.802 176.300 -0.237 0.000 1.142 51 R CA -1.041 54.827 56.100 -0.388 0.000 1.114 51 R CB 0.615 30.782 30.300 -0.222 0.000 1.256 51 R HN -0.064 nan 8.270 nan 0.000 0.536 52 R N -0.547 119.867 120.500 -0.144 0.000 2.700 52 R HA 0.183 4.525 4.340 0.002 0.000 0.253 52 R C 1.421 177.778 176.300 0.094 0.000 1.091 52 R CA -0.380 55.675 56.100 -0.076 0.000 1.104 52 R CB 0.735 30.836 30.300 -0.331 0.000 1.202 52 R HN 0.397 nan 8.270 nan 0.000 0.532 53 V N 0.637 120.619 119.914 0.114 0.000 2.316 53 V HA -0.318 3.803 4.120 0.002 0.000 0.247 53 V C 0.823 176.991 176.094 0.124 0.000 1.028 53 V CA 2.706 65.078 62.300 0.120 0.000 1.105 53 V CB -0.423 31.483 31.823 0.139 0.000 0.781 53 V HN 0.957 nan 8.190 nan 0.000 0.494 54 G N -1.108 107.808 108.800 0.194 0.000 4.956 54 G HA2 0.529 4.490 3.960 0.002 0.000 0.290 54 G HA3 0.529 4.490 3.960 0.002 0.000 0.290 54 G C -0.973 173.891 174.900 -0.061 0.000 1.352 54 G CA -0.312 44.807 45.100 0.032 0.000 0.983 54 G HN 0.300 nan 8.290 nan 0.000 0.581 55 F N 0.916 120.840 119.950 -0.043 0.000 2.495 55 F HA 0.355 4.883 4.527 0.002 0.000 0.327 55 F C -0.333 175.438 175.800 -0.049 0.000 1.103 55 F CA -1.684 56.295 58.000 -0.034 0.000 0.949 55 F CB 2.060 41.044 39.000 -0.027 0.000 1.142 55 F HN 0.207 nan 8.300 nan 0.000 0.457 56 D N 0.653 121.125 120.400 0.120 0.000 2.374 56 D HA 0.254 4.895 4.640 0.002 0.000 0.240 56 D C 0.164 176.515 176.300 0.085 0.000 1.229 56 D CA -0.157 53.887 54.000 0.073 0.000 0.895 56 D CB 1.452 42.277 40.800 0.041 0.000 1.046 56 D HN 0.714 nan 8.370 nan 0.000 0.498 57 E N 0.945 121.159 120.200 0.024 0.000 3.100 57 E HA -0.006 4.345 4.350 0.002 0.000 0.191 57 E C -0.567 175.975 176.600 -0.097 0.000 1.097 57 E CA -0.337 56.038 56.400 -0.043 0.000 1.339 57 E CB 0.428 30.008 29.700 -0.200 0.000 1.330 57 E HN 0.388 nan 8.360 nan 0.000 0.511 58 D N 0.695 121.000 120.400 -0.159 0.000 3.478 58 D HA -0.217 4.425 4.640 0.002 0.000 0.219 58 D C -0.723 175.550 176.300 -0.045 0.000 1.143 58 D CA 0.519 54.484 54.000 -0.058 0.000 1.047 58 D CB -0.919 39.896 40.800 0.024 0.000 0.820 58 D HN 0.318 nan 8.370 nan 0.000 0.393 59 F N 1.125 121.203 119.950 0.214 0.000 2.898 59 F HA 0.415 4.944 4.527 0.002 0.000 0.290 59 F C 1.845 177.783 175.800 0.231 0.000 1.195 59 F CA -1.023 57.124 58.000 0.244 0.000 1.387 59 F CB 0.013 39.215 39.000 0.336 0.000 0.976 59 F HN 0.032 nan 8.300 nan 0.000 0.510 60 R N 1.436 122.030 120.500 0.157 0.000 2.073 60 R HA 0.018 4.359 4.340 0.002 0.000 0.229 60 R C -0.629 175.628 176.300 -0.071 0.000 1.120 60 R CA 1.214 57.257 56.100 -0.095 0.000 0.967 60 R CB -1.163 28.801 30.300 -0.560 0.000 0.862 60 R HN 0.230 nan 8.270 nan 0.000 0.436 61 P HA -0.149 nan 4.420 nan 0.000 0.220 61 P C 0.637 177.906 177.300 -0.052 0.000 1.148 61 P CA 1.268 64.335 63.100 -0.055 0.000 0.803 61 P CB 0.060 31.735 31.700 -0.041 0.000 0.782 62 R N -2.141 118.303 120.500 -0.094 0.000 2.237 62 R HA 0.168 4.510 4.340 0.002 0.000 0.195 62 R C 1.017 176.953 176.300 -0.608 0.000 0.956 62 R CA 0.602 56.469 56.100 -0.387 0.000 1.029 62 R CB 0.121 30.081 30.300 -0.567 0.000 0.972 62 R HN 0.162 nan 8.270 nan 0.000 0.493 63 F N -0.557 119.399 119.950 0.010 0.000 2.784 63 F HA 0.436 4.964 4.527 0.002 0.000 0.323 63 F C 0.427 176.234 175.800 0.012 0.000 1.085 63 F CA -0.510 57.490 58.000 -0.000 0.000 1.196 63 F CB 0.874 39.892 39.000 0.030 0.000 1.053 63 F HN -0.093 nan 8.300 nan 0.000 0.578 64 A N 1.185 124.094 122.820 0.148 0.000 2.301 64 A HA 0.769 5.091 4.320 0.002 0.000 0.312 64 A C 0.179 177.793 177.584 0.051 0.000 1.182 64 A CA -0.420 51.680 52.037 0.105 0.000 0.826 64 A CB 0.231 19.234 19.000 0.006 0.000 1.134 64 A HN 0.162 nan 8.150 nan 0.000 0.501 65 A N 2.612 125.408 122.820 -0.040 0.000 2.498 65 A HA 0.499 4.820 4.320 0.002 0.000 0.239 65 A C 0.293 177.905 177.584 0.048 0.000 1.068 65 A CA 0.322 52.318 52.037 -0.069 0.000 0.766 65 A CB 0.025 18.889 19.000 -0.227 0.000 1.003 65 A HN 0.758 nan 8.150 nan 0.000 0.497 66 K N 1.245 121.639 120.400 -0.010 0.000 2.468 66 K HA 0.466 4.787 4.320 0.002 0.000 0.252 66 K C -1.357 175.155 176.600 -0.145 0.000 0.932 66 K CA -0.815 55.426 56.287 -0.076 0.000 0.794 66 K CB 2.402 34.826 32.500 -0.127 0.000 1.241 66 K HN 0.406 nan 8.250 nan 0.000 0.428 67 V N 5.087 124.832 119.914 -0.282 0.000 2.446 67 V HA 0.011 4.132 4.120 0.002 0.000 0.276 67 V C 1.351 177.360 176.094 -0.143 0.000 1.030 67 V CA 0.203 62.312 62.300 -0.318 0.000 1.033 67 V CB 0.228 31.573 31.823 -0.796 0.000 0.993 67 V HN 0.750 nan 8.190 nan 0.000 0.477 68 L N 2.995 124.175 121.223 -0.072 0.000 2.162 68 L HA 0.279 4.620 4.340 0.002 0.000 0.205 68 L C 1.045 177.932 176.870 0.027 0.000 1.086 68 L CA 0.944 55.767 54.840 -0.028 0.000 0.778 68 L CB 0.201 42.233 42.059 -0.045 0.000 0.928 68 L HN 0.753 nan 8.230 nan 0.000 0.446 69 E N 0.255 120.475 120.200 0.033 0.000 2.354 69 E HA 0.396 4.748 4.350 0.002 0.000 0.283 69 E C -1.975 174.659 176.600 0.056 0.000 0.938 69 E CA -0.564 55.869 56.400 0.055 0.000 0.777 69 E CB 2.443 32.161 29.700 0.031 0.000 1.222 69 E HN -0.088 nan 8.360 nan 0.000 0.423 70 L N 2.624 123.887 121.223 0.066 0.000 2.422 70 L HA 0.722 5.063 4.340 0.002 0.000 0.264 70 L C -1.794 175.073 176.870 -0.005 0.000 0.984 70 L CA -0.210 54.648 54.840 0.029 0.000 0.819 70 L CB 2.286 44.356 42.059 0.019 0.000 1.330 70 L HN 0.418 nan 8.230 nan 0.000 0.410 71 S N 3.322 118.998 115.700 -0.040 0.000 2.614 71 S HA 0.945 5.416 4.470 0.002 0.000 0.275 71 S C -1.491 173.058 174.600 -0.085 0.000 1.161 71 S CA 0.191 58.366 58.200 -0.042 0.000 0.969 71 S CB 1.245 64.429 63.200 -0.026 0.000 1.059 71 S HN 1.304 nan 8.310 nan 0.000 0.482 72 A N 4.285 127.068 122.820 -0.062 0.000 2.429 72 A HA 0.703 5.024 4.320 0.002 0.000 0.289 72 A C -0.902 176.698 177.584 0.025 0.000 1.043 72 A CA -0.760 51.240 52.037 -0.061 0.000 0.722 72 A CB 1.115 20.046 19.000 -0.115 0.000 1.243 72 A HN 0.809 nan 8.150 nan 0.000 0.415 73 E N 3.377 123.602 120.200 0.042 0.000 2.212 73 E HA 0.668 5.019 4.350 0.002 0.000 0.268 73 E C -2.897 173.745 176.600 0.070 0.000 0.902 73 E CA -2.173 54.264 56.400 0.061 0.000 0.779 73 E CB 2.460 32.167 29.700 0.012 0.000 1.172 73 E HN 0.366 nan 8.360 nan 0.000 0.409 74 P HA 0.128 nan 4.420 nan 0.000 0.274 74 P C -0.943 176.273 177.300 -0.141 0.000 1.231 74 P CA -0.440 62.570 63.100 -0.150 0.000 0.790 74 P CB 0.434 32.049 31.700 -0.141 0.000 0.951 75 R N 1.631 122.007 120.500 -0.208 0.000 2.575 75 R HA 0.383 4.724 4.340 0.002 0.000 0.292 75 R C -2.264 173.930 176.300 -0.176 0.000 1.246 75 R CA -1.643 54.367 56.100 -0.151 0.000 0.973 75 R CB 0.851 31.080 30.300 -0.118 0.000 1.187 75 R HN 0.156 nan 8.270 nan 0.000 0.478 76 P HA -0.196 nan 4.420 nan 0.000 0.223 76 P C 1.120 178.357 177.300 -0.105 0.000 1.151 76 P CA 1.097 64.125 63.100 -0.121 0.000 0.787 76 P CB 0.427 32.077 31.700 -0.084 0.000 0.788 77 S N -0.771 114.874 115.700 -0.092 0.000 2.419 77 S HA 0.114 4.586 4.470 0.002 0.000 0.233 77 S C 1.239 175.787 174.600 -0.086 0.000 1.016 77 S CA 1.294 59.452 58.200 -0.069 0.000 0.974 77 S CB -1.108 62.064 63.200 -0.047 0.000 0.786 77 S HN 0.481 nan 8.310 nan 0.000 0.492 78 G N -0.107 108.596 108.800 -0.162 0.000 2.500 78 G HA2 -0.076 3.886 3.960 0.002 0.000 0.209 78 G HA3 -0.076 3.886 3.960 0.002 0.000 0.209 78 G C -0.479 174.268 174.900 -0.255 0.000 1.283 78 G CA -0.488 44.459 45.100 -0.256 0.000 0.960 78 G HN 0.420 nan 8.290 nan 0.000 0.528 79 F N 1.274 121.228 119.950 0.008 0.000 2.450 79 F HA 0.412 4.939 4.527 0.001 0.000 0.339 79 F C 2.172 177.980 175.800 0.013 0.000 1.146 79 F CA 0.466 58.478 58.000 0.019 0.000 1.267 79 F CB 1.159 40.174 39.000 0.025 0.000 1.178 79 F HN 0.462 nan 8.300 nan 0.000 0.585 80 S N 0.534 116.367 115.700 0.222 0.000 2.365 80 S HA -0.111 4.360 4.470 0.002 0.000 0.221 80 S C 0.606 175.265 174.600 0.097 0.000 1.037 80 S CA 0.864 59.138 58.200 0.123 0.000 1.060 80 S CB -0.340 62.928 63.200 0.114 0.000 0.974 80 S HN 0.305 nan 8.310 nan 0.000 0.427 81 V N 3.902 123.870 119.914 0.091 0.000 2.743 81 V HA 0.326 4.447 4.120 0.002 0.000 0.301 81 V C -2.254 173.871 176.094 0.052 0.000 1.057 81 V CA -2.254 60.072 62.300 0.043 0.000 1.006 81 V CB 0.565 32.386 31.823 -0.004 0.000 1.024 81 V HN 0.241 nan 8.190 nan 0.000 0.473 82 P HA 0.279 nan 4.420 nan 0.000 0.271 82 P C -0.597 176.688 177.300 -0.025 0.000 1.220 82 P CA 0.298 63.415 63.100 0.029 0.000 0.768 82 P CB 1.234 32.944 31.700 0.017 0.000 0.848 83 V N 2.390 122.278 119.914 -0.043 0.000 5.071 83 V HA 0.538 4.659 4.120 0.002 0.000 0.300 83 V C -0.244 175.804 176.094 -0.077 0.000 1.520 83 V CA -0.736 61.495 62.300 -0.115 0.000 0.822 83 V CB 1.016 32.694 31.823 -0.243 0.000 1.318 83 V HN 0.670 nan 8.190 nan 0.000 0.446 84 E N -0.757 119.377 120.200 -0.110 0.000 2.347 84 E HA 0.656 5.007 4.350 0.002 0.000 0.285 84 E C -1.615 174.944 176.600 -0.069 0.000 0.925 84 E CA -0.485 55.884 56.400 -0.052 0.000 0.779 84 E CB 1.741 31.424 29.700 -0.028 0.000 1.233 84 E HN 0.568 nan 8.360 nan 0.000 0.414 85 C N 1.598 120.890 119.300 -0.013 0.000 2.898 85 C HA 0.761 5.223 4.460 0.002 0.000 0.304 85 C C 0.992 176.003 174.990 0.035 0.000 1.237 85 C CA -0.001 59.015 59.018 -0.003 0.000 1.529 85 C CB 1.275 29.031 27.740 0.027 0.000 2.021 85 C HN 1.013 nan 8.230 nan 0.000 0.474 86 A N 1.992 124.829 122.820 0.028 0.000 2.261 86 A HA 0.583 4.904 4.320 0.002 0.000 0.208 86 A C 0.646 178.257 177.584 0.046 0.000 1.223 86 A CA 1.041 53.097 52.037 0.031 0.000 0.833 86 A CB -0.418 18.590 19.000 0.014 0.000 0.830 86 A HN 1.520 nan 8.150 nan 0.000 0.483 87 A N -1.020 121.846 122.820 0.078 0.000 2.594 87 A HA 0.799 5.121 4.320 0.002 0.000 0.291 87 A C -0.080 177.569 177.584 0.108 0.000 1.105 87 A CA -0.781 51.311 52.037 0.091 0.000 0.694 87 A CB 1.102 20.162 19.000 0.100 0.000 1.291 87 A HN 0.323 nan 8.150 nan 0.000 0.410 88 R N -0.710 119.841 120.500 0.085 0.000 3.307 88 R HA 0.786 5.127 4.340 0.002 0.000 0.227 88 R C 0.785 177.119 176.300 0.056 0.000 1.645 88 R CA 0.055 56.196 56.100 0.069 0.000 1.015 88 R CB 0.844 31.174 30.300 0.050 0.000 1.832 88 R HN 2.085 nan 8.270 nan 0.000 0.533 89 G N 0.907 109.726 108.800 0.032 0.000 2.562 89 G HA2 -0.213 3.748 3.960 0.002 0.000 0.250 89 G HA3 -0.213 3.748 3.960 0.002 0.000 0.250 89 G C -2.236 172.655 174.900 -0.015 0.000 1.269 89 G CA -0.515 44.597 45.100 0.021 0.000 0.919 89 G HN 0.503 nan 8.290 nan 0.000 0.574 90 P HA 0.532 nan 4.420 nan 0.000 0.272 90 P C -0.491 176.712 177.300 -0.162 0.000 1.230 90 P CA -0.234 62.796 63.100 -0.117 0.000 0.788 90 P CB 1.177 32.815 31.700 -0.104 0.000 0.949 91 V N 2.312 122.029 119.914 -0.329 0.000 2.495 91 V HA 0.301 4.422 4.120 0.002 0.000 0.298 91 V C -0.240 175.616 176.094 -0.395 0.000 1.031 91 V CA -0.502 61.584 62.300 -0.358 0.000 0.871 91 V CB 1.075 32.515 31.823 -0.638 0.000 0.988 91 V HN 0.607 nan 8.190 nan 0.000 0.432 92 H N 1.769 120.784 119.070 -0.092 0.000 2.621 92 H HA 0.819 5.376 4.556 0.002 0.000 0.360 92 H C 0.045 175.323 175.328 -0.084 0.000 1.163 92 H CA -0.214 55.792 56.048 -0.070 0.000 1.194 92 H CB 1.791 31.531 29.762 -0.037 0.000 1.649 92 H HN 0.860 nan 8.280 nan 0.000 0.532 93 A N 1.660 124.486 122.820 0.010 0.000 2.288 93 A HA 0.600 4.921 4.320 0.002 0.000 0.320 93 A C -0.705 176.768 177.584 -0.186 0.000 1.217 93 A CA -0.428 51.563 52.037 -0.076 0.000 0.840 93 A CB 0.040 19.014 19.000 -0.043 0.000 1.179 93 A HN 0.757 nan 8.150 nan 0.000 0.504 94 C N 1.093 120.134 119.300 -0.432 0.000 2.779 94 C HA 0.817 5.278 4.460 0.002 0.000 0.314 94 C C 0.175 174.904 174.990 -0.435 0.000 1.231 94 C CA -0.870 57.799 59.018 -0.582 0.000 1.652 94 C CB 1.682 28.699 27.740 -1.204 0.000 2.198 94 C HN 0.936 nan 8.230 nan 0.000 0.483 95 R N 0.865 121.226 120.500 -0.232 0.000 2.502 95 R HA 0.758 5.099 4.340 0.002 0.000 0.300 95 R C -1.691 174.618 176.300 0.014 0.000 0.984 95 R CA -0.231 55.831 56.100 -0.064 0.000 0.882 95 R CB 2.011 32.292 30.300 -0.032 0.000 1.180 95 R HN 0.631 nan 8.270 nan 0.000 0.444 96 V N 1.253 121.246 119.914 0.132 0.000 2.789 96 V HA 0.516 4.637 4.120 0.002 0.000 0.311 96 V C -0.246 175.934 176.094 0.142 0.000 1.073 96 V CA -0.909 61.489 62.300 0.163 0.000 0.921 96 V CB 2.325 34.319 31.823 0.284 0.000 1.009 96 V HN 0.697 nan 8.190 nan 0.000 0.426 97 T N 4.846 119.449 114.554 0.082 0.000 2.770 97 T HA 0.701 5.053 4.350 0.002 0.000 0.283 97 T C -0.405 174.326 174.700 0.051 0.000 0.988 97 T CA -0.057 62.074 62.100 0.052 0.000 0.957 97 T CB 0.850 69.724 68.868 0.010 0.000 0.930 97 T HN 0.431 nan 8.240 nan 0.000 0.443 98 I N 2.486 123.112 120.570 0.094 0.000 2.441 98 I HA 0.607 4.778 4.170 0.002 0.000 0.295 98 I C 0.162 176.330 176.117 0.084 0.000 0.994 98 I CA -1.042 60.309 61.300 0.085 0.000 1.144 98 I CB 1.598 39.704 38.000 0.176 0.000 1.314 98 I HN 0.654 nan 8.210 nan 0.000 0.445 99 A N 5.313 128.153 122.820 0.034 0.000 2.249 99 A HA 0.414 4.735 4.320 0.002 0.000 0.314 99 A C -0.900 176.852 177.584 0.279 0.000 1.290 99 A CA -0.227 51.857 52.037 0.078 0.000 0.893 99 A CB -0.082 18.805 19.000 -0.187 0.000 1.165 99 A HN 0.823 nan 8.150 nan 0.000 0.530 100 H N 4.444 123.691 119.070 0.295 0.000 2.504 100 H HA 0.434 4.991 4.556 0.002 0.000 0.322 100 H C -2.431 172.999 175.328 0.170 0.000 1.055 100 H CA -2.075 54.143 56.048 0.283 0.000 1.231 100 H CB 1.541 31.460 29.762 0.262 0.000 1.417 100 H HN 0.415 nan 8.280 nan 0.000 0.472 101 P HA -0.021 nan 4.420 nan 0.000 0.269 101 P C -0.170 176.910 177.300 -0.367 0.000 1.252 101 P CA 0.026 62.831 63.100 -0.491 0.000 0.780 101 P CB 0.192 31.581 31.700 -0.518 0.000 0.829 102 H N 2.294 121.091 119.070 -0.456 0.000 2.546 102 H HA 0.024 4.581 4.556 0.002 0.000 0.277 102 H C 1.978 176.895 175.328 -0.684 0.000 1.004 102 H CA 1.124 56.683 56.048 -0.814 0.000 1.231 102 H CB -1.141 28.224 29.762 -0.662 0.000 1.382 102 H HN 0.410 nan 8.280 nan 0.000 0.580 103 G N 0.634 109.129 108.800 -0.509 0.000 2.479 103 G HA2 -0.320 3.641 3.960 0.002 0.000 0.220 103 G HA3 -0.320 3.641 3.960 0.002 0.000 0.220 103 G C 1.387 176.192 174.900 -0.159 0.000 1.115 103 G CA 0.736 45.682 45.100 -0.256 0.000 0.757 103 G HN 0.618 nan 8.290 nan 0.000 0.560 104 N N -0.353 118.211 118.700 -0.227 0.000 2.223 104 N HA -0.070 4.671 4.740 0.002 0.000 0.185 104 N C 1.538 177.090 175.510 0.070 0.000 1.016 104 N CA 1.493 54.542 53.050 -0.001 0.000 0.863 104 N CB -0.139 38.451 38.487 0.172 0.000 0.983 104 N HN 0.612 nan 8.380 nan 0.000 0.429 105 F N -2.053 118.002 119.950 0.176 0.000 2.834 105 F HA 0.503 5.031 4.527 0.002 0.000 0.332 105 F C 1.012 176.912 175.800 0.166 0.000 1.056 105 F CA -0.215 57.877 58.000 0.153 0.000 1.178 105 F CB -0.165 38.918 39.000 0.139 0.000 1.037 105 F HN -0.100 nan 8.300 nan 0.000 0.580 106 G N 1.458 110.367 108.800 0.180 0.000 2.750 106 G HA2 0.060 4.021 3.960 0.002 0.000 0.228 106 G HA3 0.060 4.021 3.960 0.002 0.000 0.228 106 G C 0.080 175.201 174.900 0.369 0.000 1.367 106 G CA -0.334 44.903 45.100 0.228 0.000 0.871 106 G HN 1.134 nan 8.290 nan 0.000 0.560 107 A N 0.295 123.144 122.820 0.049 0.000 3.168 107 A HA 0.612 4.933 4.320 0.002 0.000 0.260 107 A C 0.547 178.009 177.584 -0.204 0.000 1.598 107 A CA 0.622 52.489 52.037 -0.283 0.000 1.285 107 A CB -0.363 18.109 19.000 -0.881 0.000 1.149 107 A HN 0.628 nan 8.150 nan 0.000 0.630 108 K N 0.253 120.745 120.400 0.152 0.000 2.471 108 K HA 0.483 4.804 4.320 0.002 0.000 0.252 108 K C 0.205 176.931 176.600 0.211 0.000 0.938 108 K CA -0.626 55.741 56.287 0.134 0.000 0.796 108 K CB 1.851 34.411 32.500 0.101 0.000 1.161 108 K HN 0.201 nan 8.250 nan 0.000 0.425 109 I N 3.670 124.359 120.570 0.198 0.000 2.127 109 I HA -0.207 3.965 4.170 0.002 0.000 0.241 109 I C -1.005 175.145 176.117 0.055 0.000 1.075 109 I CA 1.481 62.864 61.300 0.140 0.000 1.334 109 I CB -0.488 37.579 38.000 0.111 0.000 1.040 109 I HN 0.637 nan 8.210 nan 0.000 0.405 110 P HA -0.139 nan 4.420 nan 0.000 0.215 110 P C 0.996 178.286 177.300 -0.016 0.000 1.153 110 P CA 1.683 64.790 63.100 0.011 0.000 0.853 110 P CB -0.206 31.505 31.700 0.019 0.000 0.788 111 N N -0.954 117.749 118.700 0.005 0.000 2.166 111 N HA -0.125 4.616 4.740 0.002 0.000 0.186 111 N C 1.536 176.870 175.510 -0.293 0.000 1.019 111 N CA 0.549 53.584 53.050 -0.024 0.000 0.856 111 N CB -0.933 37.632 38.487 0.131 0.000 0.993 111 N HN 0.045 nan 8.380 nan 0.000 0.426 112 L N 0.988 121.995 121.223 -0.359 0.000 1.976 112 L HA -0.078 4.263 4.340 0.002 0.000 0.209 112 L C 1.713 178.301 176.870 -0.469 0.000 1.071 112 L CA 1.532 55.936 54.840 -0.727 0.000 0.746 112 L CB -0.872 41.073 42.059 -0.189 0.000 0.890 112 L HN 0.174 nan 8.230 nan 0.000 0.432 113 L N -0.179 120.925 121.223 -0.199 0.000 1.997 113 L HA -0.276 4.065 4.340 0.002 0.000 0.216 113 L C 2.391 179.201 176.870 -0.100 0.000 1.074 113 L CA 1.944 56.716 54.840 -0.113 0.000 0.763 113 L CB -0.968 41.056 42.059 -0.057 0.000 0.890 113 L HN 0.514 nan 8.230 nan 0.000 0.434 114 S N -0.856 114.791 115.700 -0.089 0.000 2.653 114 S HA 0.092 4.563 4.470 0.002 0.000 0.233 114 S C 1.383 175.968 174.600 -0.026 0.000 0.970 114 S CA 0.544 58.727 58.200 -0.029 0.000 0.947 114 S CB -0.096 63.101 63.200 -0.004 0.000 0.771 114 S HN 0.438 nan 8.310 nan 0.000 0.538 115 A N 1.727 124.472 122.820 -0.124 0.000 2.011 115 A HA 0.353 4.674 4.320 0.002 0.000 0.204 115 A C 2.015 179.579 177.584 -0.034 0.000 1.520 115 A CA 0.550 52.547 52.037 -0.068 0.000 0.819 115 A CB -0.747 18.124 19.000 -0.216 0.000 1.087 115 A HN 0.836 nan 8.150 nan 0.000 0.526 116 V N -2.174 117.652 119.914 -0.146 0.000 3.444 116 V HA 0.036 4.157 4.120 0.002 0.000 0.271 116 V C 0.822 176.965 176.094 0.082 0.000 1.188 116 V CA 0.636 62.934 62.300 -0.004 0.000 1.168 116 V CB -1.609 30.174 31.823 -0.066 0.000 0.810 116 V HN 1.089 nan 8.190 nan 0.000 0.500 117 C N -1.425 117.909 119.300 0.057 0.000 2.839 117 C HA 0.796 5.257 4.460 0.002 0.000 0.252 117 C C 0.674 175.799 174.990 0.225 0.000 1.530 117 C CA -0.449 58.650 59.018 0.135 0.000 1.016 117 C CB -1.164 26.709 27.740 0.222 0.000 1.935 117 C HN 0.594 nan 8.230 nan 0.000 0.674 118 G N 1.026 109.926 108.800 0.167 0.000 2.890 118 G HA2 0.562 4.523 3.960 0.002 0.000 0.189 118 G HA3 0.562 4.523 3.960 0.002 0.000 0.189 118 G C 0.518 175.589 174.900 0.285 0.000 1.342 118 G CA -0.173 45.049 45.100 0.204 0.000 1.026 118 G HN 0.318 nan 8.290 nan 0.000 0.579 119 E N -0.081 120.272 120.200 0.255 0.000 2.113 119 E HA -0.178 4.173 4.350 0.002 0.000 0.210 119 E C 2.544 179.298 176.600 0.258 0.000 1.040 119 E CA 2.065 58.651 56.400 0.311 0.000 0.847 119 E CB -0.887 28.887 29.700 0.123 0.000 0.755 119 E HN 0.492 nan 8.360 nan 0.000 0.459 120 G N 0.166 109.044 108.800 0.130 0.000 2.624 120 G HA2 -0.345 3.616 3.960 0.002 0.000 0.221 120 G HA3 -0.345 3.616 3.960 0.002 0.000 0.221 120 G C 1.750 176.602 174.900 -0.080 0.000 1.169 120 G CA 1.617 46.741 45.100 0.041 0.000 0.771 120 G HN 0.252 nan 8.290 nan 0.000 0.598 121 V N -0.296 119.519 119.914 -0.166 0.000 2.302 121 V HA 0.030 4.152 4.120 0.002 0.000 0.243 121 V C 2.423 178.181 176.094 -0.561 0.000 1.036 121 V CA 1.592 63.595 62.300 -0.496 0.000 1.020 121 V CB -0.544 30.885 31.823 -0.657 0.000 0.657 121 V HN 0.357 nan 8.190 nan 0.000 0.453 122 F N -1.551 118.312 119.950 -0.145 0.000 2.664 122 F HA 0.191 4.719 4.527 0.002 0.000 0.296 122 F C 1.356 176.797 175.800 -0.598 0.000 1.125 122 F CA 0.761 58.544 58.000 -0.362 0.000 1.444 122 F CB 0.072 38.811 39.000 -0.435 0.000 1.114 122 F HN 0.105 nan 8.300 nan 0.000 0.576 123 F N -1.178 118.820 119.950 0.080 0.000 2.764 123 F HA 0.248 4.776 4.527 0.002 0.000 0.310 123 F C 0.894 176.674 175.800 -0.033 0.000 1.124 123 F CA -0.483 57.540 58.000 0.038 0.000 1.252 123 F CB -0.119 38.911 39.000 0.051 0.000 1.010 123 F HN -0.363 nan 8.300 nan 0.000 0.518 124 S N 2.290 117.989 115.700 -0.002 0.000 2.568 124 S HA 0.212 4.683 4.470 0.002 0.000 0.282 124 S C -2.329 172.208 174.600 -0.105 0.000 1.338 124 S CA -1.041 57.108 58.200 -0.085 0.000 1.045 124 S CB 0.431 63.504 63.200 -0.213 0.000 0.873 124 S HN -0.085 nan 8.310 nan 0.000 0.516 125 P HA 0.288 nan 4.420 nan 0.000 0.276 125 P C 0.563 177.762 177.300 -0.168 0.000 1.243 125 P CA 0.289 63.279 63.100 -0.184 0.000 0.768 125 P CB 0.465 31.964 31.700 -0.334 0.000 0.856 126 G N 2.958 111.715 108.800 -0.071 0.000 2.155 126 G HA2 -0.251 3.710 3.960 0.002 0.000 0.257 126 G HA3 -0.251 3.710 3.960 0.002 0.000 0.257 126 G C 0.032 174.961 174.900 0.049 0.000 0.983 126 G CA -0.123 44.980 45.100 0.005 0.000 0.676 126 G HN 0.544 nan 8.290 nan 0.000 0.528 127 I N 0.484 121.037 120.570 -0.029 0.000 2.621 127 I HA 0.241 4.412 4.170 0.002 0.000 0.276 127 I C -1.376 174.712 176.117 -0.049 0.000 1.118 127 I CA -2.195 59.098 61.300 -0.012 0.000 1.159 127 I CB 1.721 39.605 38.000 -0.193 0.000 1.357 127 I HN -0.130 nan 8.210 nan 0.000 0.513 128 P HA 0.013 nan 4.420 nan 0.000 0.217 128 P C 0.103 177.402 177.300 -0.001 0.000 1.154 128 P CA 1.088 64.081 63.100 -0.178 0.000 0.841 128 P CB 0.368 31.748 31.700 -0.534 0.000 0.788 129 L N 0.057 121.331 121.223 0.085 0.000 2.333 129 L HA 0.590 4.932 4.340 0.002 0.000 0.280 129 L C -0.225 176.833 176.870 0.314 0.000 1.004 129 L CA -0.695 54.331 54.840 0.310 0.000 0.820 129 L CB 2.018 44.226 42.059 0.248 0.000 1.247 129 L HN -0.123 nan 8.230 nan 0.000 0.416 130 I N 2.966 123.706 120.570 0.284 0.000 2.775 130 I HA 0.498 4.669 4.170 0.002 0.000 0.295 130 I C -1.399 174.746 176.117 0.047 0.000 1.287 130 I CA -0.448 60.929 61.300 0.130 0.000 1.029 130 I CB 2.534 40.469 38.000 -0.108 0.000 1.282 130 I HN 0.689 nan 8.210 nan 0.000 0.426 131 R N 6.305 126.902 120.500 0.161 0.000 2.538 131 R HA 0.472 4.813 4.340 0.002 0.000 0.292 131 R C -1.974 174.435 176.300 0.182 0.000 1.008 131 R CA -0.793 55.389 56.100 0.137 0.000 0.896 131 R CB 1.758 32.136 30.300 0.130 0.000 1.187 131 R HN 0.603 nan 8.270 nan 0.000 0.440 132 L N 4.549 125.831 121.223 0.098 0.000 2.369 132 L HA 0.192 4.533 4.340 0.002 0.000 0.279 132 L C 0.452 177.266 176.870 -0.094 0.000 1.108 132 L CA 0.616 55.346 54.840 -0.184 0.000 0.852 132 L CB 1.317 43.265 42.059 -0.185 0.000 1.169 132 L HN 0.735 nan 8.230 nan 0.000 0.452 133 Q N 2.320 122.027 119.800 -0.156 0.000 2.373 133 Q HA 0.240 4.581 4.340 0.002 0.000 0.210 133 Q C -0.274 175.639 176.000 -0.144 0.000 0.913 133 Q CA 0.461 56.244 55.803 -0.034 0.000 0.911 133 Q CB 0.738 29.481 28.738 0.008 0.000 1.040 133 Q HN 0.709 nan 8.270 nan 0.000 0.521 134 D N -0.764 119.502 120.400 -0.224 0.000 2.685 134 D HA 0.348 4.990 4.640 0.002 0.000 0.236 134 D C -1.528 174.607 176.300 -0.275 0.000 1.233 134 D CA -0.527 53.336 54.000 -0.228 0.000 0.760 134 D CB 1.518 42.205 40.800 -0.189 0.000 1.410 134 D HN -0.142 nan 8.370 nan 0.000 0.439 135 I N 0.249 120.648 120.570 -0.285 0.000 2.603 135 I HA 0.627 4.798 4.170 0.002 0.000 0.300 135 I C -0.028 175.782 176.117 -0.512 0.000 1.017 135 I CA -0.653 60.386 61.300 -0.435 0.000 1.098 135 I CB 1.833 39.491 38.000 -0.570 0.000 1.279 135 I HN 0.099 nan 8.210 nan 0.000 0.437 136 R N 3.335 123.496 120.500 -0.566 0.000 2.575 136 R HA 0.697 5.038 4.340 0.002 0.000 0.293 136 R C -1.690 174.310 176.300 -0.500 0.000 0.983 136 R CA -0.558 55.291 56.100 -0.419 0.000 0.887 136 R CB 1.918 32.117 30.300 -0.167 0.000 1.184 136 R HN 0.430 nan 8.270 nan 0.000 0.445 137 F N 2.288 122.265 119.950 0.044 0.000 2.480 137 F HA 0.503 5.031 4.527 0.002 0.000 0.329 137 F C -1.799 174.063 175.800 0.104 0.000 1.091 137 F CA -2.630 55.418 58.000 0.081 0.000 0.972 137 F CB 1.102 40.200 39.000 0.164 0.000 1.150 137 F HN 0.259 nan 8.300 nan 0.000 0.467 138 P HA 0.239 nan 4.420 nan 0.000 0.277 138 P C 0.258 177.698 177.300 0.232 0.000 1.240 138 P CA -0.344 62.894 63.100 0.230 0.000 0.798 138 P CB 1.149 32.986 31.700 0.228 0.000 0.979 139 E N 3.040 123.339 120.200 0.165 0.000 2.055 139 E HA -0.216 4.135 4.350 0.002 0.000 0.209 139 E C -0.684 175.989 176.600 0.122 0.000 1.036 139 E CA 2.528 59.005 56.400 0.127 0.000 0.849 139 E CB -2.009 27.747 29.700 0.093 0.000 0.767 139 E HN 0.505 nan 8.360 nan 0.000 0.461 140 P HA -0.240 nan 4.420 nan 0.000 0.217 140 P C 1.393 178.747 177.300 0.090 0.000 1.158 140 P CA 1.707 64.870 63.100 0.104 0.000 0.887 140 P CB -0.297 31.487 31.700 0.141 0.000 0.792 141 Y N 0.288 120.566 120.300 -0.037 0.000 2.163 141 Y HA -0.122 4.429 4.550 0.002 0.000 0.288 141 Y C 2.582 178.529 175.900 0.079 0.000 1.136 141 Y CA 1.296 59.331 58.100 -0.108 0.000 1.147 141 Y CB -0.885 37.432 38.460 -0.237 0.000 0.987 141 Y HN -0.268 nan 8.280 nan 0.000 0.509 142 L N -0.214 121.129 121.223 0.200 0.000 2.079 142 L HA -0.278 4.063 4.340 0.002 0.000 0.210 142 L C 2.662 179.591 176.870 0.098 0.000 1.081 142 L CA 1.136 56.052 54.840 0.127 0.000 0.752 142 L CB -0.913 41.208 42.059 0.103 0.000 0.896 142 L HN 0.342 nan 8.230 nan 0.000 0.433 143 A N -0.193 122.648 122.820 0.034 0.000 2.186 143 A HA -0.112 4.209 4.320 0.002 0.000 0.219 143 A C 2.394 179.930 177.584 -0.081 0.000 1.159 143 A CA 1.542 53.573 52.037 -0.010 0.000 0.680 143 A CB -0.506 18.490 19.000 -0.007 0.000 0.787 143 A HN 0.438 nan 8.150 nan 0.000 0.467 144 A N -1.240 121.470 122.820 -0.184 0.000 2.072 144 A HA 0.426 4.747 4.320 0.002 0.000 0.216 144 A C 0.616 177.894 177.584 -0.509 0.000 1.156 144 A CA 0.172 51.963 52.037 -0.410 0.000 0.701 144 A CB -0.205 18.395 19.000 -0.667 0.000 0.816 144 A HN 0.361 nan 8.150 nan 0.000 0.458 145 F N -0.445 119.362 119.950 -0.238 0.000 2.410 145 F HA 0.455 4.983 4.527 0.002 0.000 0.324 145 F C 0.755 176.469 175.800 -0.143 0.000 1.093 145 F CA -0.783 57.100 58.000 -0.194 0.000 1.028 145 F CB 0.793 39.659 39.000 -0.223 0.000 1.309 145 F HN 0.018 nan 8.300 nan 0.000 0.499 146 D N -0.779 119.672 120.400 0.085 0.000 2.423 146 D HA 0.283 4.924 4.640 0.002 0.000 0.212 146 D C 1.179 177.480 176.300 0.001 0.000 1.060 146 D CA 0.774 54.778 54.000 0.007 0.000 0.872 146 D CB 0.144 40.924 40.800 -0.034 0.000 1.012 146 D HN 0.762 nan 8.370 nan 0.000 0.503 147 G N 1.228 110.035 108.800 0.012 0.000 2.598 147 G HA2 -0.244 3.718 3.960 0.002 0.000 0.269 147 G HA3 -0.244 3.718 3.960 0.002 0.000 0.269 147 G C -2.425 172.467 174.900 -0.012 0.000 1.289 147 G CA -0.778 44.315 45.100 -0.013 0.000 0.926 147 G HN 0.120 nan 8.290 nan 0.000 0.567 148 P HA 0.389 nan 4.420 nan 0.000 0.271 148 P C 0.646 177.931 177.300 -0.025 0.000 1.218 148 P CA -0.149 62.970 63.100 0.032 0.000 0.780 148 P CB 1.039 32.791 31.700 0.087 0.000 0.901 149 R N 2.236 122.692 120.500 -0.073 0.000 2.073 149 R HA 0.012 4.353 4.340 0.002 0.000 0.229 149 R C 1.172 177.237 176.300 -0.393 0.000 1.120 149 R CA 1.967 57.884 56.100 -0.305 0.000 0.967 149 R CB -0.695 29.286 30.300 -0.532 0.000 0.862 149 R HN 0.400 nan 8.270 nan 0.000 0.436 150 F N -0.700 119.265 119.950 0.024 0.000 2.390 150 F HA 0.433 4.961 4.527 0.002 0.000 0.281 150 F C 1.532 177.353 175.800 0.035 0.000 1.016 150 F CA 0.701 58.718 58.000 0.029 0.000 1.286 150 F CB -0.529 38.489 39.000 0.031 0.000 1.134 150 F HN 0.333 nan 8.300 nan 0.000 0.597 151 G N 1.034 109.985 108.800 0.252 0.000 2.741 151 G HA2 -0.255 3.706 3.960 0.002 0.000 0.222 151 G HA3 -0.255 3.706 3.960 0.002 0.000 0.222 151 G C 0.583 175.567 174.900 0.140 0.000 1.364 151 G CA -0.165 45.030 45.100 0.158 0.000 0.866 151 G HN 0.248 nan 8.290 nan 0.000 0.555 152 I N 0.744 121.375 120.570 0.102 0.000 2.142 152 I HA -0.120 4.051 4.170 0.002 0.000 0.240 152 I C 3.370 179.530 176.117 0.072 0.000 1.078 152 I CA 2.241 63.584 61.300 0.071 0.000 1.343 152 I CB -1.085 36.952 38.000 0.062 0.000 1.046 152 I HN 0.923 nan 8.210 nan 0.000 0.405 153 A N 1.514 124.392 122.820 0.095 0.000 1.893 153 A HA -0.322 3.999 4.320 0.002 0.000 0.222 153 A C 2.424 180.086 177.584 0.131 0.000 1.309 153 A CA 2.901 55.008 52.037 0.116 0.000 0.681 153 A CB -1.800 17.264 19.000 0.107 0.000 0.842 153 A HN 0.522 nan 8.150 nan 0.000 0.468 154 G N -1.658 107.243 108.800 0.168 0.000 2.394 154 G HA2 0.021 3.982 3.960 0.002 0.000 0.215 154 G HA3 0.021 3.982 3.960 0.002 0.000 0.215 154 G C 1.510 176.456 174.900 0.077 0.000 1.165 154 G CA 1.107 46.346 45.100 0.230 0.000 0.784 154 G HN 0.398 nan 8.290 nan 0.000 0.535 155 V N 0.796 120.723 119.914 0.021 0.000 2.287 155 V HA -0.191 3.930 4.120 0.002 0.000 0.248 155 V C 2.945 178.946 176.094 -0.155 0.000 1.053 155 V CA 1.939 64.181 62.300 -0.097 0.000 1.027 155 V CB -0.460 31.332 31.823 -0.053 0.000 0.646 155 V HN 0.308 nan 8.190 nan 0.000 0.447 156 R N -0.482 119.931 120.500 -0.146 0.000 2.105 156 R HA -0.203 4.139 4.340 0.002 0.000 0.239 156 R C 2.361 178.406 176.300 -0.425 0.000 1.135 156 R CA 1.646 57.548 56.100 -0.329 0.000 0.967 156 R CB -0.318 29.847 30.300 -0.224 0.000 0.861 156 R HN 0.582 nan 8.270 nan 0.000 0.442 157 E N 0.310 120.449 120.200 -0.101 0.000 2.152 157 E HA -0.116 4.235 4.350 0.002 0.000 0.192 157 E C 1.921 178.497 176.600 -0.040 0.000 0.983 157 E CA 0.517 56.943 56.400 0.042 0.000 0.818 157 E CB 0.227 30.029 29.700 0.170 0.000 0.758 157 E HN 0.150 nan 8.360 nan 0.000 0.467 158 R N 0.076 120.519 120.500 -0.095 0.000 2.148 158 R HA -0.047 4.294 4.340 0.002 0.000 0.227 158 R C 2.131 178.339 176.300 -0.154 0.000 1.103 158 R CA 0.624 56.650 56.100 -0.123 0.000 0.983 158 R CB -0.182 30.007 30.300 -0.186 0.000 0.874 158 R HN 0.276 nan 8.270 nan 0.000 0.451 159 L N 0.400 121.492 121.223 -0.219 0.000 2.616 159 L HA 0.083 4.424 4.340 0.002 0.000 0.229 159 L C 0.281 177.001 176.870 -0.249 0.000 1.110 159 L CA -0.037 54.663 54.840 -0.233 0.000 0.884 159 L CB 0.092 41.985 42.059 -0.276 0.000 1.115 159 L HN 0.010 nan 8.230 nan 0.000 0.481 160 Q N -0.565 119.059 119.800 -0.292 0.000 2.480 160 Q HA -0.210 4.132 4.340 0.002 0.000 0.265 160 Q C 0.275 175.956 176.000 -0.532 0.000 1.072 160 Q CA 1.032 56.677 55.803 -0.264 0.000 1.018 160 Q CB -1.804 26.929 28.738 -0.008 0.000 1.433 160 Q HN 0.493 nan 8.270 nan 0.000 0.513 161 A N 0.607 122.942 122.820 -0.809 0.000 2.294 161 A HA 0.669 4.990 4.320 0.002 0.000 0.316 161 A C -0.446 176.624 177.584 -0.855 0.000 1.359 161 A CA -0.261 51.402 52.037 -0.624 0.000 0.956 161 A CB 0.099 18.816 19.000 -0.473 0.000 1.155 161 A HN 0.155 nan 8.150 nan 0.000 0.544 162 F N 0.720 120.620 119.950 -0.082 0.000 2.546 162 F HA 0.418 4.946 4.527 0.002 0.000 0.320 162 F C 0.424 176.195 175.800 -0.048 0.000 1.076 162 F CA -0.558 57.407 58.000 -0.058 0.000 0.928 162 F CB 1.691 40.678 39.000 -0.022 0.000 1.189 162 F HN 0.592 nan 8.300 nan 0.000 0.465 163 D N 1.023 121.518 120.400 0.159 0.000 2.882 163 D HA -0.222 4.419 4.640 0.002 0.000 0.229 163 D C -0.321 176.025 176.300 0.077 0.000 1.167 163 D CA 0.958 55.037 54.000 0.132 0.000 0.759 163 D CB -0.732 40.172 40.800 0.173 0.000 1.088 163 D HN 0.761 nan 8.370 nan 0.000 0.425 164 R N -2.343 118.044 120.500 -0.189 0.000 2.663 164 R HA 0.622 4.963 4.340 0.002 0.000 0.267 164 R C -3.264 172.496 176.300 -0.899 0.000 1.038 164 R CA -1.571 54.137 56.100 -0.652 0.000 0.886 164 R CB 1.607 31.518 30.300 -0.648 0.000 1.249 164 R HN -0.246 nan 8.270 nan 0.000 0.463 165 P HA 0.088 nan 4.420 nan 0.000 0.270 165 P C -0.275 176.215 177.300 -1.350 0.000 1.223 165 P CA -0.372 61.902 63.100 -1.376 0.000 0.785 165 P CB 0.510 31.091 31.700 -1.865 0.000 0.923 166 I N 1.936 121.986 120.570 -0.866 0.000 2.352 166 I HA 0.191 4.362 4.170 0.002 0.000 0.290 166 I C 0.515 176.329 176.117 -0.504 0.000 1.036 166 I CA -0.635 60.268 61.300 -0.663 0.000 1.336 166 I CB -1.188 36.603 38.000 -0.349 0.000 1.407 166 I HN 0.229 nan 8.210 nan 0.000 0.497 167 F N 6.633 126.481 119.950 -0.171 0.000 2.375 167 F HA 0.365 4.894 4.527 0.002 0.000 0.362 167 F C 0.219 175.992 175.800 -0.045 0.000 1.129 167 F CA -0.470 57.527 58.000 -0.005 0.000 1.154 167 F CB 0.338 39.327 39.000 -0.018 0.000 1.205 167 F HN 0.220 nan 8.300 nan 0.000 0.513 168 F N 1.221 121.303 119.950 0.220 0.000 2.403 168 F HA 0.761 5.289 4.527 0.002 0.000 0.326 168 F C 0.674 176.549 175.800 0.124 0.000 1.081 168 F CA -0.918 57.166 58.000 0.139 0.000 1.041 168 F CB 1.793 40.846 39.000 0.088 0.000 1.234 168 F HN 0.418 nan 8.300 nan 0.000 0.503 169 G N 0.265 109.262 108.800 0.328 0.000 2.753 169 G HA2 0.534 4.495 3.960 0.002 0.000 0.295 169 G HA3 0.534 4.495 3.960 0.002 0.000 0.295 169 G C -2.156 172.948 174.900 0.341 0.000 1.437 169 G CA -0.718 44.562 45.100 0.300 0.000 1.094 169 G HN 0.475 nan 8.290 nan 0.000 0.540 170 V N 3.200 123.290 119.914 0.294 0.000 2.348 170 V HA 0.305 4.426 4.120 0.002 0.000 0.270 170 V C 0.721 176.748 176.094 -0.110 0.000 1.037 170 V CA -0.666 61.712 62.300 0.132 0.000 0.872 170 V CB 0.677 32.553 31.823 0.088 0.000 1.002 170 V HN 0.642 nan 8.190 nan 0.000 0.464 171 I N 5.560 125.925 120.570 -0.342 0.000 2.741 171 I HA 0.082 4.253 4.170 0.002 0.000 0.288 171 I C 0.641 176.308 176.117 -0.750 0.000 1.192 171 I CA 0.950 61.637 61.300 -1.021 0.000 1.426 171 I CB 0.025 37.700 38.000 -0.542 0.000 1.367 171 I HN 0.571 nan 8.210 nan 0.000 0.563 172 K N 7.605 127.445 120.400 -0.934 0.000 2.468 172 K HA 0.489 4.810 4.320 0.002 0.000 0.252 172 K C -2.458 173.932 176.600 -0.351 0.000 0.932 172 K CA -1.662 54.368 56.287 -0.428 0.000 0.794 172 K CB 2.203 34.596 32.500 -0.178 0.000 1.241 172 K HN 0.286 nan 8.250 nan 0.000 0.428 173 P HA 0.071 nan 4.420 nan 0.000 0.273 173 P C -0.678 176.436 177.300 -0.309 0.000 1.250 173 P CA -0.145 62.826 63.100 -0.214 0.000 0.793 173 P CB 0.887 32.503 31.700 -0.140 0.000 1.011 174 N N 0.242 118.868 118.700 -0.123 0.000 3.170 174 N HA 0.053 4.794 4.740 0.002 0.000 0.235 174 N C 0.486 176.153 175.510 0.262 0.000 1.037 174 N CA -0.029 53.066 53.050 0.075 0.000 1.160 174 N CB -0.172 38.426 38.487 0.185 0.000 1.606 174 N HN 0.182 nan 8.380 nan 0.000 0.580 175 I N 2.348 123.034 120.570 0.193 0.000 2.752 175 I HA 0.029 4.200 4.170 0.002 0.000 0.286 175 I C 1.501 177.559 176.117 -0.098 0.000 1.180 175 I CA 1.645 63.026 61.300 0.135 0.000 1.404 175 I CB -0.438 37.586 38.000 0.039 0.000 1.389 175 I HN 0.796 nan 8.210 nan 0.000 0.549 176 G N 5.882 114.496 108.800 -0.309 0.000 2.278 176 G HA2 -0.183 3.778 3.960 0.002 0.000 0.210 176 G HA3 -0.183 3.778 3.960 0.002 0.000 0.210 176 G C 0.206 175.084 174.900 -0.038 0.000 1.000 176 G CA -0.621 44.291 45.100 -0.313 0.000 0.635 176 G HN 0.436 nan 8.290 nan 0.000 0.495 177 L N 3.580 124.903 121.223 0.166 0.000 2.290 177 L HA 0.367 4.709 4.340 0.002 0.000 0.284 177 L C -1.158 175.950 176.870 0.396 0.000 1.078 177 L CA -1.756 53.215 54.840 0.219 0.000 0.815 177 L CB 1.080 43.207 42.059 0.113 0.000 1.162 177 L HN 0.089 nan 8.230 nan 0.000 0.435 178 P HA 0.118 nan 4.420 nan 0.000 0.272 178 P C -2.360 175.094 177.300 0.257 0.000 1.254 178 P CA -1.159 62.092 63.100 0.252 0.000 0.795 178 P CB -0.110 31.684 31.700 0.157 0.000 1.022 179 P HA -0.065 nan 4.420 nan 0.000 0.225 179 P C 1.714 179.103 177.300 0.149 0.000 1.156 179 P CA 1.061 64.221 63.100 0.100 0.000 0.787 179 P CB -0.004 31.691 31.700 -0.009 0.000 0.802 180 Q N 0.432 120.306 119.800 0.123 0.000 1.994 180 Q HA -0.057 4.284 4.340 0.002 0.000 0.198 180 Q C -0.709 175.362 176.000 0.118 0.000 0.976 180 Q CA 2.022 57.883 55.803 0.096 0.000 0.828 180 Q CB -1.768 27.006 28.738 0.059 0.000 0.894 180 Q HN 0.217 nan 8.270 nan 0.000 0.432 181 P HA -0.107 nan 4.420 nan 0.000 0.239 181 P C 1.009 178.345 177.300 0.059 0.000 1.184 181 P CA 0.682 63.822 63.100 0.066 0.000 0.760 181 P CB -0.396 31.322 31.700 0.031 0.000 0.884 182 F N 1.565 121.518 119.950 0.004 0.000 2.084 182 F HA -0.083 4.445 4.527 0.002 0.000 0.296 182 F C 2.607 178.396 175.800 -0.018 0.000 1.111 182 F CA 1.472 59.461 58.000 -0.018 0.000 1.224 182 F CB -0.533 38.457 39.000 -0.016 0.000 0.991 182 F HN -0.068 nan 8.300 nan 0.000 0.471 183 A N -0.175 122.795 122.820 0.251 0.000 1.940 183 A HA -0.200 4.121 4.320 0.002 0.000 0.219 183 A C 2.103 179.801 177.584 0.190 0.000 1.176 183 A CA 1.728 53.870 52.037 0.175 0.000 0.631 183 A CB -0.663 18.403 19.000 0.110 0.000 0.814 183 A HN 0.336 nan 8.150 nan 0.000 0.446 184 E N 0.265 120.551 120.200 0.144 0.000 2.048 184 E HA -0.221 4.130 4.350 0.002 0.000 0.202 184 E C 2.066 178.787 176.600 0.202 0.000 1.021 184 E CA 1.497 57.989 56.400 0.154 0.000 0.825 184 E CB -0.660 29.096 29.700 0.092 0.000 0.756 184 E HN 0.699 nan 8.360 nan 0.000 0.454 185 L N -0.060 121.236 121.223 0.121 0.000 2.046 185 L HA -0.115 4.226 4.340 0.002 0.000 0.208 185 L C 2.547 179.533 176.870 0.193 0.000 1.077 185 L CA 1.362 56.291 54.840 0.150 0.000 0.747 185 L CB -0.912 41.144 42.059 -0.005 0.000 0.896 185 L HN 0.204 nan 8.230 nan 0.000 0.432 186 G N -0.756 108.083 108.800 0.065 0.000 2.421 186 G HA2 -0.365 3.597 3.960 0.002 0.000 0.216 186 G HA3 -0.365 3.597 3.960 0.002 0.000 0.216 186 G C 1.499 176.312 174.900 -0.146 0.000 1.171 186 G CA 0.919 45.889 45.100 -0.217 0.000 0.775 186 G HN 0.366 nan 8.290 nan 0.000 0.543 187 Y N 1.418 121.807 120.300 0.149 0.000 2.114 187 Y HA -0.238 4.313 4.550 0.002 0.000 0.282 187 Y C 3.004 179.063 175.900 0.266 0.000 1.165 187 Y CA 2.458 60.780 58.100 0.369 0.000 1.148 187 Y CB -0.250 38.355 38.460 0.241 0.000 0.972 187 Y HN 0.259 nan 8.280 nan 0.000 0.504 188 Q N -0.211 119.615 119.800 0.043 0.000 2.016 188 Q HA -0.178 4.163 4.340 0.002 0.000 0.200 188 Q C 2.591 178.517 176.000 -0.124 0.000 0.978 188 Q CA 2.041 57.796 55.803 -0.080 0.000 0.833 188 Q CB -0.660 28.118 28.738 0.066 0.000 0.895 188 Q HN 0.654 nan 8.270 nan 0.000 0.427 189 S N 0.067 115.695 115.700 -0.120 0.000 2.383 189 S HA -0.169 4.303 4.470 0.002 0.000 0.229 189 S C 1.649 176.171 174.600 -0.129 0.000 1.030 189 S CA 0.794 58.854 58.200 -0.233 0.000 1.002 189 S CB -0.541 62.440 63.200 -0.366 0.000 0.829 189 S HN 0.394 nan 8.310 nan 0.000 0.467 190 W N 2.456 123.702 121.300 -0.089 0.000 2.358 190 W HA -0.004 4.658 4.660 0.002 0.000 0.303 190 W C 2.748 179.173 176.519 -0.156 0.000 1.208 190 W CA 1.487 58.773 57.345 -0.099 0.000 1.274 190 W CB -1.531 27.880 29.460 -0.081 0.000 1.138 190 W HN 0.396 nan 8.180 nan 0.000 0.515 191 T N -0.533 114.012 114.554 -0.016 0.000 2.821 191 T HA -0.105 4.247 4.350 0.002 0.000 0.267 191 T C 2.009 176.668 174.700 -0.068 0.000 1.046 191 T CA 1.700 63.732 62.100 -0.113 0.000 1.139 191 T CB -0.871 67.838 68.868 -0.265 0.000 0.871 191 T HN 0.230 nan 8.240 nan 0.000 0.454 192 G N 0.529 109.279 108.800 -0.084 0.000 2.470 192 G HA2 0.231 4.192 3.960 0.002 0.000 0.220 192 G HA3 0.231 4.192 3.960 0.002 0.000 0.220 192 G C 1.110 175.964 174.900 -0.075 0.000 1.121 192 G CA 0.907 45.952 45.100 -0.093 0.000 0.766 192 G HN 0.858 nan 8.290 nan 0.000 0.553 193 G N -1.349 107.428 108.800 -0.037 0.000 2.276 193 G HA2 -0.138 3.823 3.960 0.002 0.000 0.177 193 G HA3 -0.138 3.823 3.960 0.002 0.000 0.177 193 G C 0.193 175.111 174.900 0.030 0.000 1.017 193 G CA -0.326 44.768 45.100 -0.010 0.000 0.750 193 G HN 0.304 nan 8.290 nan 0.000 0.506 194 L N 0.977 122.232 121.223 0.052 0.000 2.439 194 L HA 0.254 4.595 4.340 0.002 0.000 0.269 194 L C 1.011 178.024 176.870 0.238 0.000 1.179 194 L CA -0.133 54.778 54.840 0.118 0.000 0.828 194 L CB 0.653 42.731 42.059 0.031 0.000 1.106 194 L HN 0.062 nan 8.230 nan 0.000 0.467 195 D N 2.332 122.837 120.400 0.175 0.000 2.197 195 D HA 0.172 4.813 4.640 0.002 0.000 0.212 195 D C 0.334 176.732 176.300 0.163 0.000 0.963 195 D CA 1.317 55.367 54.000 0.082 0.000 0.864 195 D CB 0.507 41.240 40.800 -0.112 0.000 1.009 195 D HN 0.287 nan 8.370 nan 0.000 0.479 196 I N 0.608 121.216 120.570 0.065 0.000 2.466 196 I HA 0.404 4.575 4.170 0.002 0.000 0.289 196 I C -0.757 175.454 176.117 0.157 0.000 1.026 196 I CA -0.890 60.477 61.300 0.112 0.000 1.078 196 I CB 2.301 40.118 38.000 -0.305 0.000 1.249 196 I HN -0.196 nan 8.210 nan 0.000 0.429 197 A N 6.867 129.814 122.820 0.212 0.000 2.276 197 A HA 0.707 5.028 4.320 0.002 0.000 0.316 197 A C -0.432 177.275 177.584 0.205 0.000 1.229 197 A CA -0.528 51.515 52.037 0.010 0.000 0.851 197 A CB 0.693 19.331 19.000 -0.603 0.000 1.165 197 A HN 0.763 nan 8.150 nan 0.000 0.513 198 K N 2.007 122.526 120.400 0.198 0.000 2.281 198 K HA 0.597 4.918 4.320 0.002 0.000 0.242 198 K C -1.421 175.283 176.600 0.172 0.000 0.971 198 K CA -0.852 55.541 56.287 0.177 0.000 0.834 198 K CB 1.456 34.083 32.500 0.212 0.000 1.181 198 K HN 0.409 nan 8.250 nan 0.000 0.435 199 D N 1.477 121.956 120.400 0.132 0.000 2.341 199 D HA 0.061 4.702 4.640 0.002 0.000 0.245 199 D C -0.623 175.728 176.300 0.085 0.000 1.106 199 D CA 0.012 54.091 54.000 0.132 0.000 0.905 199 D CB 1.149 41.982 40.800 0.055 0.000 1.202 199 D HN 0.607 nan 8.370 nan 0.000 0.426 200 D N 0.080 120.525 120.400 0.076 0.000 2.400 200 D HA -0.035 4.607 4.640 0.002 0.000 0.238 200 D C 0.830 177.077 176.300 -0.089 0.000 1.157 200 D CA -0.032 53.962 54.000 -0.009 0.000 0.889 200 D CB 0.811 41.617 40.800 0.009 0.000 1.199 200 D HN 0.176 nan 8.370 nan 0.000 0.436 201 E N 1.611 121.646 120.200 -0.275 0.000 2.114 201 E HA -0.222 4.129 4.350 0.002 0.000 0.199 201 E C 1.182 177.681 176.600 -0.168 0.000 1.008 201 E CA 1.568 57.751 56.400 -0.362 0.000 0.810 201 E CB -0.263 29.047 29.700 -0.650 0.000 0.739 201 E HN 0.593 nan 8.360 nan 0.000 0.456 202 M N 0.177 119.710 119.600 -0.112 0.000 2.571 202 M HA 0.199 4.680 4.480 0.002 0.000 0.235 202 M C -0.275 176.042 176.300 0.028 0.000 1.216 202 M CA -0.238 55.042 55.300 -0.034 0.000 0.979 202 M CB 0.416 33.008 32.600 -0.013 0.000 1.616 202 M HN -0.014 nan 8.290 nan 0.000 0.469 203 L N 0.663 121.889 121.223 0.006 0.000 2.353 203 L HA 0.755 5.097 4.340 0.002 0.000 0.270 203 L C -0.365 176.463 176.870 -0.071 0.000 1.003 203 L CA -0.061 54.781 54.840 0.004 0.000 0.862 203 L CB 0.572 42.671 42.059 0.066 0.000 1.221 203 L HN 0.128 nan 8.230 nan 0.000 0.430 204 A N 2.929 125.682 122.820 -0.112 0.000 3.907 204 A HA 0.549 4.870 4.320 0.002 0.000 0.166 204 A C -0.834 176.634 177.584 -0.193 0.000 0.948 204 A CA -0.333 51.632 52.037 -0.121 0.000 1.077 204 A CB 0.046 18.999 19.000 -0.079 0.000 1.553 204 A HN 0.503 nan 8.150 nan 0.000 0.740 205 D N 0.504 120.807 120.400 -0.162 0.000 2.411 205 D HA 0.472 5.113 4.640 0.002 0.000 0.225 205 D C -0.699 175.459 176.300 -0.237 0.000 1.156 205 D CA 0.368 54.256 54.000 -0.186 0.000 0.874 205 D CB 0.365 41.096 40.800 -0.116 0.000 1.034 205 D HN 0.460 nan 8.370 nan 0.000 0.502 206 V N 1.026 120.707 119.914 -0.388 0.000 3.078 206 V HA 0.364 4.485 4.120 0.002 0.000 0.311 206 V C 1.033 176.847 176.094 -0.467 0.000 1.138 206 V CA -0.953 61.063 62.300 -0.474 0.000 1.007 206 V CB 1.846 33.207 31.823 -0.770 0.000 1.045 206 V HN 0.186 nan 8.190 nan 0.000 0.432 207 D N 1.695 121.935 120.400 -0.267 0.000 2.154 207 D HA -0.212 4.429 4.640 0.002 0.000 0.190 207 D C 1.752 178.010 176.300 -0.069 0.000 1.003 207 D CA 3.033 56.976 54.000 -0.094 0.000 0.849 207 D CB -0.088 40.756 40.800 0.074 0.000 0.942 207 D HN 0.899 nan 8.370 nan 0.000 0.446 208 W N -0.727 120.573 121.300 0.001 0.000 2.678 208 W HA 0.215 4.876 4.660 0.002 0.000 0.256 208 W C 0.421 176.945 176.519 0.007 0.000 1.280 208 W CA -0.079 57.271 57.345 0.007 0.000 1.345 208 W CB -0.779 28.689 29.460 0.014 0.000 1.118 208 W HN 0.072 nan 8.180 nan 0.000 0.629 209 C N 4.259 123.298 119.300 -0.435 0.000 3.482 209 C HA 0.355 4.816 4.460 0.002 0.000 0.208 209 C C -2.090 172.670 174.990 -0.383 0.000 1.306 209 C CA -1.737 57.091 59.018 -0.317 0.000 1.254 209 C CB -0.766 26.803 27.740 -0.286 0.000 1.832 209 C HN -0.130 nan 8.230 nan 0.000 0.554 210 P HA 0.054 nan 4.420 nan 0.000 0.269 210 P C 0.783 177.976 177.300 -0.179 0.000 1.209 210 P CA 0.104 63.077 63.100 -0.212 0.000 0.776 210 P CB 0.816 32.435 31.700 -0.134 0.000 0.876 211 L N 3.660 124.792 121.223 -0.152 0.000 2.093 211 L HA -0.102 4.239 4.340 0.002 0.000 0.208 211 L C 2.431 179.260 176.870 -0.068 0.000 1.085 211 L CA 2.272 57.048 54.840 -0.107 0.000 0.755 211 L CB -1.514 40.498 42.059 -0.079 0.000 0.904 211 L HN 0.459 nan 8.230 nan 0.000 0.435 212 A N -0.185 122.597 122.820 -0.063 0.000 1.909 212 A HA -0.338 3.983 4.320 0.002 0.000 0.221 212 A C 2.171 179.726 177.584 -0.047 0.000 1.223 212 A CA 2.598 54.608 52.037 -0.044 0.000 0.658 212 A CB -0.783 18.192 19.000 -0.042 0.000 0.831 212 A HN 0.706 nan 8.150 nan 0.000 0.462 213 E N -1.674 118.486 120.200 -0.067 0.000 2.102 213 E HA -0.020 4.331 4.350 0.002 0.000 0.190 213 E C 2.389 178.934 176.600 -0.091 0.000 0.971 213 E CA 0.149 56.510 56.400 -0.065 0.000 0.821 213 E CB -0.162 29.504 29.700 -0.057 0.000 0.777 213 E HN 0.468 nan 8.360 nan 0.000 0.460 214 R N 0.915 121.333 120.500 -0.137 0.000 2.115 214 R HA -0.191 4.150 4.340 0.002 0.000 0.239 214 R C 2.392 178.570 176.300 -0.204 0.000 1.133 214 R CA 1.640 57.611 56.100 -0.214 0.000 0.935 214 R CB -0.427 29.701 30.300 -0.286 0.000 0.853 214 R HN 0.143 nan 8.270 nan 0.000 0.433 215 A N 0.657 123.421 122.820 -0.094 0.000 1.933 215 A HA -0.142 4.179 4.320 0.002 0.000 0.218 215 A C 2.338 179.876 177.584 -0.077 0.000 1.175 215 A CA 1.813 53.837 52.037 -0.022 0.000 0.628 215 A CB -0.629 18.456 19.000 0.142 0.000 0.814 215 A HN 0.497 nan 8.150 nan 0.000 0.444 216 A N -0.092 122.694 122.820 -0.057 0.000 1.865 216 A HA -0.112 4.209 4.320 0.002 0.000 0.217 216 A C 2.188 179.736 177.584 -0.059 0.000 1.191 216 A CA 1.679 53.690 52.037 -0.045 0.000 0.623 216 A CB -0.627 18.352 19.000 -0.035 0.000 0.826 216 A HN 0.474 nan 8.150 nan 0.000 0.444 217 L N -1.299 119.879 121.223 -0.075 0.000 2.072 217 L HA -0.096 4.245 4.340 0.002 0.000 0.205 217 L C 2.593 179.428 176.870 -0.058 0.000 1.079 217 L CA 1.026 55.834 54.840 -0.052 0.000 0.752 217 L CB -0.635 41.405 42.059 -0.032 0.000 0.906 217 L HN 0.344 nan 8.230 nan 0.000 0.436 218 L N -0.274 120.841 121.223 -0.181 0.000 2.156 218 L HA -0.066 4.275 4.340 0.002 0.000 0.208 218 L C 2.618 179.408 176.870 -0.133 0.000 1.095 218 L CA 1.125 55.820 54.840 -0.241 0.000 0.770 218 L CB -0.736 40.786 42.059 -0.894 0.000 0.914 218 L HN 0.244 nan 8.230 nan 0.000 0.439 219 G N -0.834 107.878 108.800 -0.146 0.000 2.418 219 G HA2 -0.259 3.702 3.960 0.002 0.000 0.217 219 G HA3 -0.259 3.702 3.960 0.002 0.000 0.217 219 G C 1.251 176.131 174.900 -0.033 0.000 1.158 219 G CA 0.743 45.826 45.100 -0.029 0.000 0.771 219 G HN 0.254 nan 8.290 nan 0.000 0.545 220 D N 0.996 121.383 120.400 -0.022 0.000 2.078 220 D HA -0.077 4.564 4.640 0.002 0.000 0.193 220 D C 2.931 179.242 176.300 0.019 0.000 0.990 220 D CA 1.370 55.364 54.000 -0.011 0.000 0.827 220 D CB -0.487 40.307 40.800 -0.011 0.000 0.975 220 D HN 0.236 nan 8.370 nan 0.000 0.451 221 A N 0.488 123.363 122.820 0.091 0.000 1.997 221 A HA -0.245 4.076 4.320 0.002 0.000 0.221 221 A C 2.549 180.248 177.584 0.191 0.000 1.172 221 A CA 1.840 54.034 52.037 0.262 0.000 0.645 221 A CB -1.118 18.144 19.000 0.436 0.000 0.813 221 A HN 0.450 nan 8.150 nan 0.000 0.454 222 C N -1.128 118.095 119.300 -0.127 0.000 2.518 222 C HA 0.041 4.503 4.460 0.002 0.000 0.279 222 C C 2.801 177.554 174.990 -0.396 0.000 1.279 222 C CA 1.051 59.644 59.018 -0.709 0.000 1.703 222 C CB -1.158 26.164 27.740 -0.698 0.000 2.072 222 C HN 0.660 nan 8.230 nan 0.000 0.487 223 R N -0.029 120.355 120.500 -0.194 0.000 2.105 223 R HA -0.121 4.220 4.340 0.002 0.000 0.239 223 R C 2.576 178.834 176.300 -0.070 0.000 1.135 223 R CA 1.526 57.554 56.100 -0.121 0.000 0.967 223 R CB -0.359 29.899 30.300 -0.070 0.000 0.861 223 R HN 0.555 nan 8.270 nan 0.000 0.442 224 R N -0.071 120.421 120.500 -0.013 0.000 2.070 224 R HA -0.093 4.248 4.340 0.002 0.000 0.233 224 R C 2.196 178.570 176.300 0.124 0.000 1.137 224 R CA 1.588 57.730 56.100 0.071 0.000 0.945 224 R CB -0.210 30.156 30.300 0.110 0.000 0.845 224 R HN 0.206 nan 8.270 nan 0.000 0.430 225 A N -0.626 122.271 122.820 0.129 0.000 1.969 225 A HA -0.112 4.209 4.320 0.002 0.000 0.218 225 A C 2.101 179.640 177.584 -0.075 0.000 1.169 225 A CA 1.614 53.672 52.037 0.035 0.000 0.635 225 A CB -0.458 18.520 19.000 -0.037 0.000 0.810 225 A HN 0.350 nan 8.150 nan 0.000 0.445 226 S N -0.593 115.015 115.700 -0.154 0.000 2.383 226 S HA 0.003 4.474 4.470 0.002 0.000 0.227 226 S C 2.177 176.731 174.600 -0.076 0.000 1.026 226 S CA 1.372 59.481 58.200 -0.152 0.000 0.981 226 S CB -0.358 62.725 63.200 -0.194 0.000 0.818 226 S HN 0.748 nan 8.310 nan 0.000 0.472 227 A N 0.993 123.785 122.820 -0.047 0.000 1.873 227 A HA -0.028 4.293 4.320 0.002 0.000 0.215 227 A C 1.922 179.505 177.584 -0.002 0.000 1.186 227 A CA 1.476 53.502 52.037 -0.020 0.000 0.616 227 A CB -0.659 18.336 19.000 -0.009 0.000 0.823 227 A HN 0.617 nan 8.150 nan 0.000 0.442 228 E N -0.726 119.485 120.200 0.018 0.000 2.204 228 E HA -0.121 4.230 4.350 0.002 0.000 0.194 228 E C 1.922 178.531 176.600 0.016 0.000 0.989 228 E CA 1.530 57.951 56.400 0.035 0.000 0.824 228 E CB -0.106 29.644 29.700 0.082 0.000 0.756 228 E HN 0.839 nan 8.360 nan 0.000 0.477 229 T N -4.295 110.257 114.554 -0.004 0.000 3.022 229 T HA 0.259 4.610 4.350 0.002 0.000 0.250 229 T C 1.623 176.318 174.700 -0.009 0.000 1.060 229 T CA 0.383 62.478 62.100 -0.008 0.000 1.013 229 T CB 0.741 69.598 68.868 -0.018 0.000 0.982 229 T HN 0.221 nan 8.240 nan 0.000 0.508 230 G N 0.979 109.770 108.800 -0.015 0.000 2.189 230 G HA2 -0.247 3.714 3.960 0.002 0.000 0.267 230 G HA3 -0.247 3.714 3.960 0.002 0.000 0.267 230 G C 0.081 174.969 174.900 -0.021 0.000 0.975 230 G CA 0.293 45.385 45.100 -0.014 0.000 0.644 230 G HN 0.780 nan 8.290 nan 0.000 0.537 231 V N 2.322 122.217 119.914 -0.032 0.000 2.547 231 V HA 0.555 4.676 4.120 0.002 0.000 0.299 231 V C -1.681 174.368 176.094 -0.076 0.000 1.040 231 V CA -1.850 60.425 62.300 -0.040 0.000 0.913 231 V CB 1.891 33.696 31.823 -0.029 0.000 0.992 231 V HN 0.144 nan 8.190 nan 0.000 0.449 232 P HA 0.177 nan 4.420 nan 0.000 0.267 232 P C -0.819 176.386 177.300 -0.158 0.000 1.209 232 P CA -0.044 62.984 63.100 -0.120 0.000 0.763 232 P CB 0.628 32.265 31.700 -0.105 0.000 0.816 233 K N 3.139 123.393 120.400 -0.243 0.000 2.238 233 K HA 0.654 4.975 4.320 0.002 0.000 0.239 233 K C 0.137 176.558 176.600 -0.298 0.000 0.987 233 K CA -0.983 55.094 56.287 -0.351 0.000 0.857 233 K CB 1.830 33.876 32.500 -0.756 0.000 1.154 233 K HN 0.465 nan 8.250 nan 0.000 0.439 234 I N 1.042 121.540 120.570 -0.121 0.000 2.686 234 I HA 0.182 4.353 4.170 0.002 0.000 0.295 234 I C -1.397 174.961 176.117 0.403 0.000 1.114 234 I CA -1.120 60.200 61.300 0.033 0.000 1.038 234 I CB 2.100 40.090 38.000 -0.018 0.000 1.238 234 I HN 0.453 nan 8.210 nan 0.000 0.420 235 Y N 7.075 127.519 120.300 0.240 0.000 2.353 235 Y HA 0.529 5.080 4.550 0.002 0.000 0.340 235 Y C -1.194 174.827 175.900 0.201 0.000 0.972 235 Y CA -0.978 57.356 58.100 0.389 0.000 1.157 235 Y CB 1.258 39.942 38.460 0.373 0.000 1.157 235 Y HN 0.418 nan 8.280 nan 0.000 0.495 236 L N 7.225 128.266 121.223 -0.304 0.000 2.270 236 L HA 0.703 5.044 4.340 0.002 0.000 0.286 236 L C -0.511 175.994 176.870 -0.609 0.000 1.059 236 L CA -0.430 54.217 54.840 -0.321 0.000 0.839 236 L CB -0.078 41.982 42.059 0.002 0.000 1.221 236 L HN 0.770 nan 8.230 nan 0.000 0.431 237 A N 4.105 126.520 122.820 -0.674 0.000 2.301 237 A HA 0.449 4.770 4.320 0.002 0.000 0.298 237 A C -0.129 177.357 177.584 -0.163 0.000 1.185 237 A CA -0.593 51.154 52.037 -0.483 0.000 0.830 237 A CB 0.133 18.926 19.000 -0.345 0.000 1.112 237 A HN 0.775 nan 8.150 nan 0.000 0.508 238 N N 1.585 120.232 118.700 -0.088 0.000 2.408 238 N HA 0.389 5.130 4.740 0.002 0.000 0.257 238 N C 0.122 175.616 175.510 -0.028 0.000 1.064 238 N CA -0.324 52.707 53.050 -0.032 0.000 0.952 238 N CB 0.259 38.732 38.487 -0.025 0.000 1.093 238 N HN 0.559 nan 8.380 nan 0.000 0.490 239 I N -0.118 120.450 120.570 -0.003 0.000 3.762 239 I HA 0.342 4.513 4.170 0.002 0.000 0.333 239 I C -0.339 175.783 176.117 0.007 0.000 1.566 239 I CA -0.633 60.667 61.300 -0.000 0.000 1.129 239 I CB 0.313 38.325 38.000 0.019 0.000 1.218 239 I HN 0.184 nan 8.210 nan 0.000 0.456 240 T N 2.683 117.240 114.554 0.005 0.000 2.831 240 T HA 0.134 4.485 4.350 0.002 0.000 0.291 240 T C -0.178 174.516 174.700 -0.010 0.000 0.981 240 T CA 0.774 62.878 62.100 0.006 0.000 1.174 240 T CB 0.251 69.120 68.868 0.001 0.000 0.929 240 T HN 0.494 nan 8.240 nan 0.000 0.532 241 D N 0.809 121.205 120.400 -0.007 0.000 2.769 241 D HA 0.063 4.704 4.640 0.002 0.000 0.309 241 D C -0.973 175.319 176.300 -0.013 0.000 1.315 241 D CA -0.619 53.372 54.000 -0.015 0.000 0.780 241 D CB 1.353 42.140 40.800 -0.021 0.000 1.312 241 D HN 0.271 nan 8.370 nan 0.000 0.437 242 E N 0.726 120.915 120.200 -0.017 0.000 2.452 242 E HA 0.027 4.378 4.350 0.002 0.000 0.261 242 E C 1.420 178.008 176.600 -0.020 0.000 0.987 242 E CA 0.134 56.524 56.400 -0.017 0.000 0.926 242 E CB 1.165 30.855 29.700 -0.018 0.000 0.934 242 E HN 0.227 nan 8.360 nan 0.000 0.452 243 V N 3.490 123.392 119.914 -0.020 0.000 2.277 243 V HA -0.380 3.741 4.120 0.002 0.000 0.253 243 V C 1.815 177.888 176.094 -0.035 0.000 1.067 243 V CA 2.608 64.894 62.300 -0.025 0.000 1.047 243 V CB -0.727 31.081 31.823 -0.024 0.000 0.649 243 V HN 0.694 nan 8.190 nan 0.000 0.447 244 D N -0.088 120.293 120.400 -0.033 0.000 2.144 244 D HA -0.208 4.433 4.640 0.002 0.000 0.199 244 D C 2.058 178.331 176.300 -0.044 0.000 0.984 244 D CA 1.140 55.117 54.000 -0.040 0.000 0.834 244 D CB -0.516 40.265 40.800 -0.032 0.000 0.955 244 D HN 0.338 nan 8.370 nan 0.000 0.465 245 R N -0.114 120.365 120.500 -0.035 0.000 2.307 245 R HA 0.168 4.509 4.340 0.002 0.000 0.199 245 R C 2.114 178.395 176.300 -0.032 0.000 1.000 245 R CA -0.063 56.018 56.100 -0.032 0.000 1.023 245 R CB -0.171 30.114 30.300 -0.026 0.000 0.908 245 R HN 0.337 nan 8.270 nan 0.000 0.473 246 L N -0.174 121.027 121.223 -0.038 0.000 2.046 246 L HA -0.187 4.154 4.340 0.002 0.000 0.208 246 L C 2.127 178.974 176.870 -0.038 0.000 1.077 246 L CA 1.505 56.328 54.840 -0.028 0.000 0.747 246 L CB -0.489 41.550 42.059 -0.033 0.000 0.896 246 L HN 0.146 nan 8.230 nan 0.000 0.432 247 T N -1.143 113.341 114.554 -0.117 0.000 2.777 247 T HA -0.224 4.127 4.350 0.002 0.000 0.266 247 T C 1.767 176.420 174.700 -0.078 0.000 1.040 247 T CA 1.305 63.264 62.100 -0.235 0.000 1.141 247 T CB -0.082 68.527 68.868 -0.431 0.000 0.868 247 T HN 0.356 nan 8.240 nan 0.000 0.444 248 E N 0.655 120.828 120.200 -0.046 0.000 2.085 248 E HA -0.139 4.212 4.350 0.002 0.000 0.194 248 E C 2.119 178.738 176.600 0.033 0.000 0.994 248 E CA 1.038 57.439 56.400 0.001 0.000 0.801 248 E CB -0.178 29.514 29.700 -0.013 0.000 0.743 248 E HN 0.453 nan 8.360 nan 0.000 0.453 249 L N 0.370 121.610 121.223 0.028 0.000 2.109 249 L HA -0.164 4.178 4.340 0.002 0.000 0.207 249 L C 2.886 179.791 176.870 0.059 0.000 1.086 249 L CA 1.096 55.953 54.840 0.029 0.000 0.760 249 L CB -0.861 41.205 42.059 0.011 0.000 0.910 249 L HN 0.357 nan 8.230 nan 0.000 0.437 250 H N 1.134 120.211 119.070 0.012 0.000 2.289 250 H HA -0.225 4.332 4.556 0.002 0.000 0.296 250 H C 1.529 176.896 175.328 0.066 0.000 1.091 250 H CA 2.420 58.498 56.048 0.050 0.000 1.274 250 H CB 0.069 29.885 29.762 0.091 0.000 1.364 250 H HN 0.329 nan 8.280 nan 0.000 0.490 251 D N 0.400 120.909 120.400 0.182 0.000 2.097 251 D HA -0.112 4.529 4.640 0.002 0.000 0.195 251 D C 2.637 178.940 176.300 0.005 0.000 0.989 251 D CA 1.065 55.135 54.000 0.117 0.000 0.827 251 D CB -0.531 40.384 40.800 0.191 0.000 0.966 251 D HN 0.232 nan 8.370 nan 0.000 0.456 252 V N 1.280 121.201 119.914 0.012 0.000 2.332 252 V HA -0.268 3.853 4.120 0.002 0.000 0.248 252 V C 2.437 178.522 176.094 -0.015 0.000 1.055 252 V CA 1.997 64.296 62.300 -0.002 0.000 1.038 252 V CB -0.756 31.066 31.823 -0.002 0.000 0.651 252 V HN 0.221 nan 8.190 nan 0.000 0.450 253 A N -0.689 122.111 122.820 -0.033 0.000 1.854 253 A HA -0.124 4.197 4.320 0.002 0.000 0.214 253 A C 2.387 179.946 177.584 -0.041 0.000 1.192 253 A CA 1.836 53.862 52.037 -0.018 0.000 0.611 253 A CB -0.704 18.275 19.000 -0.036 0.000 0.832 253 A HN 0.290 nan 8.150 nan 0.000 0.442 254 V N 0.106 119.933 119.914 -0.145 0.000 2.287 254 V HA -0.279 3.843 4.120 0.002 0.000 0.248 254 V C 3.072 179.130 176.094 -0.061 0.000 1.053 254 V CA 2.031 64.243 62.300 -0.148 0.000 1.027 254 V CB -1.199 30.440 31.823 -0.307 0.000 0.646 254 V HN 0.615 nan 8.190 nan 0.000 0.447 255 A N -0.195 122.598 122.820 -0.045 0.000 2.032 255 A HA -0.252 4.069 4.320 0.002 0.000 0.221 255 A C 1.931 179.512 177.584 -0.005 0.000 1.165 255 A CA 2.081 54.110 52.037 -0.014 0.000 0.645 255 A CB -0.567 18.431 19.000 -0.003 0.000 0.807 255 A HN 0.645 nan 8.150 nan 0.000 0.453 256 N N -1.482 117.219 118.700 0.002 0.000 2.280 256 N HA 0.160 4.901 4.740 0.002 0.000 0.192 256 N C 0.938 176.468 175.510 0.032 0.000 1.109 256 N CA 0.934 53.993 53.050 0.015 0.000 0.855 256 N CB 0.632 39.132 38.487 0.021 0.000 0.974 256 N HN 0.632 nan 8.380 nan 0.000 0.482 257 G N 0.379 109.202 108.800 0.037 0.000 2.143 257 G HA2 -0.185 3.776 3.960 0.002 0.000 0.175 257 G HA3 -0.185 3.776 3.960 0.002 0.000 0.175 257 G C 0.087 175.060 174.900 0.123 0.000 1.004 257 G CA -0.051 45.077 45.100 0.048 0.000 0.671 257 G HN 0.458 nan 8.290 nan 0.000 0.512 258 A N 0.400 123.304 122.820 0.139 0.000 2.454 258 A HA 0.660 4.981 4.320 0.002 0.000 0.260 258 A C 1.614 179.208 177.584 0.017 0.000 1.106 258 A CA 1.267 53.389 52.037 0.142 0.000 0.780 258 A CB 0.672 19.695 19.000 0.038 0.000 1.044 258 A HN 1.456 nan 8.150 nan 0.000 0.498 259 G N 1.331 110.138 108.800 0.012 0.000 2.551 259 G HA2 0.432 4.393 3.960 0.002 0.000 0.216 259 G HA3 0.432 4.393 3.960 0.002 0.000 0.216 259 G C 0.522 175.374 174.900 -0.079 0.000 1.137 259 G CA 1.087 46.162 45.100 -0.041 0.000 0.798 259 G HN 1.597 nan 8.290 nan 0.000 0.536 260 A N -0.982 121.793 122.820 -0.075 0.000 2.612 260 A HA 0.722 5.043 4.320 0.002 0.000 0.293 260 A C -1.602 175.953 177.584 -0.048 0.000 1.075 260 A CA -0.632 51.373 52.037 -0.054 0.000 0.680 260 A CB 0.844 19.821 19.000 -0.039 0.000 1.279 260 A HN 0.140 nan 8.150 nan 0.000 0.411 261 L N 0.871 122.105 121.223 0.019 0.000 2.346 261 L HA 0.702 5.043 4.340 0.002 0.000 0.274 261 L C -0.841 176.083 176.870 0.090 0.000 1.007 261 L CA -0.878 53.982 54.840 0.033 0.000 0.818 261 L CB 1.807 43.914 42.059 0.080 0.000 1.284 261 L HN 0.705 nan 8.230 nan 0.000 0.424 262 L N 3.900 125.163 121.223 0.068 0.000 2.313 262 L HA 0.679 5.020 4.340 0.002 0.000 0.283 262 L C -0.993 175.952 176.870 0.126 0.000 1.013 262 L CA 0.147 55.053 54.840 0.111 0.000 0.816 262 L CB 1.312 43.422 42.059 0.085 0.000 1.236 262 L HN 0.413 nan 8.230 nan 0.000 0.419 263 I N 4.059 124.748 120.570 0.199 0.000 2.545 263 I HA 0.394 4.565 4.170 0.002 0.000 0.292 263 I C -0.567 175.640 176.117 0.150 0.000 1.040 263 I CA -0.751 60.665 61.300 0.193 0.000 1.068 263 I CB 1.869 40.046 38.000 0.295 0.000 1.251 263 I HN 0.535 nan 8.210 nan 0.000 0.424 264 N N 4.846 123.601 118.700 0.093 0.000 2.421 264 N HA 0.195 4.937 4.740 0.002 0.000 0.260 264 N C 0.882 176.444 175.510 0.087 0.000 1.173 264 N CA -0.028 53.058 53.050 0.060 0.000 0.960 264 N CB 1.418 39.913 38.487 0.013 0.000 1.273 264 N HN 0.782 nan 8.380 nan 0.000 0.497 265 A N 3.381 126.249 122.820 0.080 0.000 1.873 265 A HA -0.216 4.105 4.320 0.002 0.000 0.218 265 A C 2.081 179.743 177.584 0.130 0.000 1.193 265 A CA 1.311 53.437 52.037 0.148 0.000 0.629 265 A CB -0.200 18.802 19.000 0.003 0.000 0.826 265 A HN 0.478 nan 8.150 nan 0.000 0.447 266 M N -0.869 118.789 119.600 0.097 0.000 2.081 266 M HA -0.026 4.455 4.480 0.002 0.000 0.261 266 M C -0.248 176.005 176.300 -0.080 0.000 1.075 266 M CA 1.414 56.746 55.300 0.053 0.000 1.133 266 M CB -2.356 30.328 32.600 0.141 0.000 1.330 266 M HN 0.142 nan 8.290 nan 0.000 0.414 267 P HA -0.120 nan 4.420 nan 0.000 0.216 267 P C 1.661 178.920 177.300 -0.068 0.000 1.150 267 P CA 1.514 64.536 63.100 -0.130 0.000 0.843 267 P CB -0.406 31.258 31.700 -0.061 0.000 0.787 268 V N -4.378 115.529 119.914 -0.012 0.000 2.591 268 V HA 0.307 4.428 4.120 0.002 0.000 0.249 268 V C 0.992 177.087 176.094 0.002 0.000 1.053 268 V CA 0.870 63.172 62.300 0.003 0.000 1.068 268 V CB -1.516 30.327 31.823 0.034 0.000 0.689 268 V HN 0.299 nan 8.190 nan 0.000 0.462 269 G N -0.613 108.197 108.800 0.015 0.000 2.911 269 G HA2 -0.119 3.842 3.960 0.002 0.000 0.686 269 G HA3 -0.119 3.842 3.960 0.002 0.000 0.686 269 G C -0.312 174.622 174.900 0.057 0.000 1.136 269 G CA -0.145 44.966 45.100 0.019 0.000 0.764 269 G HN 0.316 nan 8.290 nan 0.000 0.626 270 L N 1.241 122.509 121.223 0.074 0.000 2.141 270 L HA -0.078 4.263 4.340 0.002 0.000 0.209 270 L C 3.050 179.950 176.870 0.051 0.000 1.094 270 L CA 2.008 56.908 54.840 0.099 0.000 0.763 270 L CB -0.431 41.692 42.059 0.107 0.000 0.908 270 L HN 0.731 nan 8.230 nan 0.000 0.437 271 S N -0.234 115.487 115.700 0.035 0.000 2.368 271 S HA -0.208 4.263 4.470 0.002 0.000 0.225 271 S C 2.153 176.753 174.600 -0.000 0.000 1.030 271 S CA 1.306 59.519 58.200 0.021 0.000 0.999 271 S CB -0.047 63.163 63.200 0.017 0.000 0.844 271 S HN 0.470 nan 8.310 nan 0.000 0.459 272 A N 0.923 123.743 122.820 -0.000 0.000 1.892 272 A HA -0.069 4.252 4.320 0.002 0.000 0.218 272 A C 2.339 179.902 177.584 -0.035 0.000 1.188 272 A CA 1.986 54.014 52.037 -0.014 0.000 0.631 272 A CB -1.240 17.758 19.000 -0.004 0.000 0.822 272 A HN 0.452 nan 8.150 nan 0.000 0.447 273 V N 0.007 119.899 119.914 -0.038 0.000 2.282 273 V HA -0.305 3.816 4.120 0.002 0.000 0.249 273 V C 2.666 178.663 176.094 -0.161 0.000 1.057 273 V CA 2.408 64.624 62.300 -0.139 0.000 1.032 273 V CB -0.792 30.895 31.823 -0.226 0.000 0.645 273 V HN 0.607 nan 8.190 nan 0.000 0.447 274 R N -0.717 119.724 120.500 -0.099 0.000 2.152 274 R HA -0.161 4.180 4.340 0.002 0.000 0.232 274 R C 2.259 178.521 176.300 -0.064 0.000 1.117 274 R CA 1.754 57.812 56.100 -0.071 0.000 0.981 274 R CB -0.201 30.093 30.300 -0.009 0.000 0.870 274 R HN 0.548 nan 8.270 nan 0.000 0.451 275 M N 0.115 119.680 119.600 -0.059 0.000 2.236 275 M HA -0.117 4.364 4.480 0.002 0.000 0.266 275 M C 1.839 178.102 176.300 -0.061 0.000 1.070 275 M CA 1.186 56.454 55.300 -0.054 0.000 1.137 275 M CB -0.006 32.564 32.600 -0.050 0.000 1.378 275 M HN 0.196 nan 8.290 nan 0.000 0.426 276 L N 1.186 122.363 121.223 -0.076 0.000 2.093 276 L HA -0.131 4.211 4.340 0.002 0.000 0.208 276 L C 2.506 179.339 176.870 -0.062 0.000 1.085 276 L CA 1.783 56.577 54.840 -0.076 0.000 0.755 276 L CB -0.801 41.215 42.059 -0.072 0.000 0.904 276 L HN 0.341 nan 8.230 nan 0.000 0.435 277 R N 0.282 120.729 120.500 -0.089 0.000 2.117 277 R HA -0.211 4.130 4.340 0.002 0.000 0.243 277 R C 2.084 178.347 176.300 -0.061 0.000 1.143 277 R CA 1.912 57.962 56.100 -0.083 0.000 0.968 277 R CB -0.446 29.786 30.300 -0.112 0.000 0.863 277 R HN 0.339 nan 8.270 nan 0.000 0.444 278 K N -1.181 119.190 120.400 -0.048 0.000 2.362 278 K HA -0.143 4.179 4.320 0.002 0.000 0.200 278 K C 1.694 178.278 176.600 -0.026 0.000 1.046 278 K CA 1.354 57.617 56.287 -0.041 0.000 0.952 278 K CB -0.118 32.362 32.500 -0.032 0.000 0.753 278 K HN 0.401 nan 8.250 nan 0.000 0.466 279 H N -0.709 118.274 119.070 -0.146 0.000 3.017 279 H HA 0.300 4.857 4.556 0.002 0.000 0.255 279 H C -0.206 174.938 175.328 -0.306 0.000 0.990 279 H CA 0.098 56.028 56.048 -0.196 0.000 1.205 279 H CB 0.537 30.174 29.762 -0.208 0.000 1.460 279 H HN 0.040 nan 8.280 nan 0.000 0.478 280 A N 0.970 123.691 122.820 -0.166 0.000 2.407 280 A HA 0.277 4.598 4.320 0.002 0.000 0.248 280 A C 1.403 179.025 177.584 0.064 0.000 1.082 280 A CA 0.499 52.444 52.037 -0.155 0.000 0.785 280 A CB 0.125 19.160 19.000 0.058 0.000 1.020 280 A HN 0.532 nan 8.150 nan 0.000 0.489 281 T N -1.232 113.527 114.554 0.342 0.000 2.985 281 T HA 0.337 4.688 4.350 0.002 0.000 0.254 281 T C 0.474 175.377 174.700 0.339 0.000 1.021 281 T CA 0.694 62.956 62.100 0.269 0.000 0.957 281 T CB -0.930 68.059 68.868 0.201 0.000 1.047 281 T HN 1.416 nan 8.240 nan 0.000 0.511 282 V N -1.747 118.357 119.914 0.316 0.000 3.103 282 V HA 0.793 4.914 4.120 0.002 0.000 0.318 282 V C -3.159 173.031 176.094 0.160 0.000 1.114 282 V CA -3.276 59.102 62.300 0.129 0.000 1.020 282 V CB 1.328 33.154 31.823 0.005 0.000 1.085 282 V HN -0.144 nan 8.190 nan 0.000 0.446 283 P HA 0.305 nan 4.420 nan 0.000 0.267 283 P C -0.854 176.523 177.300 0.128 0.000 1.200 283 P CA 0.186 63.280 63.100 -0.011 0.000 0.772 283 P CB 0.247 31.813 31.700 -0.223 0.000 0.855 284 L N 3.347 124.694 121.223 0.206 0.000 2.325 284 L HA 0.548 4.889 4.340 0.002 0.000 0.278 284 L C -0.025 177.073 176.870 0.379 0.000 1.023 284 L CA -0.670 54.307 54.840 0.228 0.000 0.811 284 L CB 1.083 43.191 42.059 0.082 0.000 1.249 284 L HN 0.228 nan 8.230 nan 0.000 0.431 285 I N 2.105 122.918 120.570 0.404 0.000 2.533 285 I HA 0.512 4.683 4.170 0.002 0.000 0.290 285 I C -0.160 176.028 176.117 0.120 0.000 1.056 285 I CA -0.075 61.380 61.300 0.260 0.000 1.057 285 I CB 2.135 40.218 38.000 0.139 0.000 1.240 285 I HN 0.597 nan 8.210 nan 0.000 0.423 286 A N 5.373 127.962 122.820 -0.384 0.000 2.274 286 A HA 0.567 4.888 4.320 0.002 0.000 0.309 286 A C -0.501 176.879 177.584 -0.341 0.000 1.226 286 A CA -0.334 51.260 52.037 -0.739 0.000 0.853 286 A CB 0.268 18.312 19.000 -1.593 0.000 1.146 286 A HN 0.710 nan 8.150 nan 0.000 0.518 287 H N 1.308 120.251 119.070 -0.211 0.000 2.500 287 H HA 0.437 4.994 4.556 0.002 0.000 0.351 287 H C 0.046 175.311 175.328 -0.105 0.000 1.281 287 H CA -0.047 55.900 56.048 -0.170 0.000 1.368 287 H CB 1.093 30.727 29.762 -0.214 0.000 1.616 287 H HN 0.708 nan 8.280 nan 0.000 0.591 288 F N -0.841 119.216 119.950 0.178 0.000 2.654 288 F HA 0.398 4.927 4.527 0.002 0.000 0.303 288 F C -2.335 173.493 175.800 0.048 0.000 1.099 288 F CA -1.655 56.369 58.000 0.041 0.000 1.270 288 F CB -0.806 38.172 39.000 -0.036 0.000 1.024 288 F HN 0.102 nan 8.300 nan 0.000 0.548 289 P HA -0.050 nan 4.420 nan 0.000 0.264 289 P C 0.316 177.735 177.300 0.198 0.000 1.183 289 P CA 0.751 63.852 63.100 0.002 0.000 0.763 289 P CB 0.985 32.654 31.700 -0.051 0.000 0.807 290 F N 1.042 120.982 119.950 -0.017 0.000 2.464 290 F HA -0.342 4.187 4.527 0.002 0.000 0.677 290 F C 1.752 177.449 175.800 -0.171 0.000 0.491 290 F CA 1.317 59.300 58.000 -0.029 0.000 1.058 290 F CB -1.837 37.188 39.000 0.041 0.000 1.860 290 F HN 0.209 nan 8.300 nan 0.000 0.265 291 I N 1.007 121.569 120.570 -0.014 0.000 2.181 291 I HA -0.434 3.737 4.170 0.002 0.000 0.247 291 I C 2.598 178.266 176.117 -0.750 0.000 1.081 291 I CA 1.849 62.870 61.300 -0.466 0.000 1.340 291 I CB -0.920 36.994 38.000 -0.144 0.000 1.036 291 I HN 0.492 nan 8.210 nan 0.000 0.417 292 A N 0.790 123.385 122.820 -0.376 0.000 1.917 292 A HA -0.262 4.059 4.320 0.002 0.000 0.219 292 A C 2.572 179.937 177.584 -0.365 0.000 1.182 292 A CA 2.184 54.032 52.037 -0.316 0.000 0.633 292 A CB -0.948 17.956 19.000 -0.160 0.000 0.819 292 A HN 0.494 nan 8.150 nan 0.000 0.448 293 A N -0.611 121.934 122.820 -0.459 0.000 1.986 293 A HA -0.036 4.286 4.320 0.002 0.000 0.220 293 A C 1.690 179.174 177.584 -0.166 0.000 1.171 293 A CA 1.780 53.599 52.037 -0.364 0.000 0.640 293 A CB -0.752 17.894 19.000 -0.591 0.000 0.811 293 A HN 1.227 nan 8.150 nan 0.000 0.451 294 F N -1.753 118.144 119.950 -0.089 0.000 2.706 294 F HA 0.347 4.875 4.527 0.002 0.000 0.313 294 F C 1.431 177.241 175.800 0.016 0.000 1.096 294 F CA 0.393 58.389 58.000 -0.007 0.000 1.219 294 F CB -0.399 38.614 39.000 0.021 0.000 1.051 294 F HN 0.108 nan 8.300 nan 0.000 0.568 295 S N -0.674 114.940 115.700 -0.143 0.000 2.520 295 S HA 0.170 4.642 4.470 0.002 0.000 0.219 295 S C 1.890 176.441 174.600 -0.081 0.000 1.028 295 S CA 0.001 58.169 58.200 -0.054 0.000 0.921 295 S CB -0.213 62.898 63.200 -0.149 0.000 0.844 295 S HN 0.392 nan 8.310 nan 0.000 0.495 296 R N 1.009 121.453 120.500 -0.093 0.000 2.061 296 R HA 0.154 4.495 4.340 0.002 0.000 0.230 296 R C 0.512 176.788 176.300 -0.041 0.000 1.140 296 R CA 0.736 56.785 56.100 -0.086 0.000 0.940 296 R CB -0.472 29.777 30.300 -0.085 0.000 0.839 296 R HN 0.307 nan 8.270 nan 0.000 0.429 297 L N 1.735 122.965 121.223 0.013 0.000 2.578 297 L HA -0.072 4.269 4.340 0.002 0.000 0.279 297 L C 1.376 178.281 176.870 0.058 0.000 1.227 297 L CA 0.605 55.475 54.840 0.050 0.000 0.900 297 L CB 0.814 42.935 42.059 0.104 0.000 1.144 297 L HN 0.502 nan 8.230 nan 0.000 0.496 298 A N 4.243 127.090 122.820 0.045 0.000 2.014 298 A HA -0.122 4.199 4.320 0.002 0.000 0.218 298 A C 1.526 179.164 177.584 0.089 0.000 1.163 298 A CA 1.210 53.272 52.037 0.043 0.000 0.652 298 A CB -0.331 18.692 19.000 0.039 0.000 0.808 298 A HN 0.908 nan 8.150 nan 0.000 0.449 299 N N -2.463 116.314 118.700 0.128 0.000 2.280 299 N HA 0.074 4.815 4.740 0.002 0.000 0.192 299 N C -0.420 175.255 175.510 0.275 0.000 1.109 299 N CA 0.032 53.185 53.050 0.171 0.000 0.855 299 N CB 0.102 38.679 38.487 0.150 0.000 0.974 299 N HN 0.431 nan 8.380 nan 0.000 0.482 300 Y N -0.451 119.914 120.300 0.108 0.000 2.519 300 Y HA 0.482 5.033 4.550 0.002 0.000 0.336 300 Y C 0.443 176.454 175.900 0.186 0.000 1.089 300 Y CA 0.446 58.636 58.100 0.149 0.000 1.025 300 Y CB 1.388 39.911 38.460 0.106 0.000 1.318 300 Y HN 0.271 nan 8.280 nan 0.000 0.452 301 G N 3.575 112.161 108.800 -0.358 0.000 2.464 301 G HA2 -0.127 3.834 3.960 0.002 0.000 0.216 301 G HA3 -0.127 3.834 3.960 0.002 0.000 0.216 301 G C -1.612 173.368 174.900 0.133 0.000 1.186 301 G CA -0.343 44.707 45.100 -0.085 0.000 1.010 301 G HN 0.786 nan 8.290 nan 0.000 0.585 302 I N 0.894 121.612 120.570 0.247 0.000 2.466 302 I HA 0.348 4.519 4.170 0.002 0.000 0.289 302 I C 0.172 176.460 176.117 0.285 0.000 1.026 302 I CA -0.971 60.480 61.300 0.251 0.000 1.078 302 I CB 1.938 40.082 38.000 0.240 0.000 1.249 302 I HN 0.682 nan 8.210 nan 0.000 0.429 303 H N 4.834 123.958 119.070 0.091 0.000 2.928 303 H HA 0.030 4.587 4.556 0.002 0.000 0.338 303 H C 1.140 176.503 175.328 0.059 0.000 1.047 303 H CA 0.373 56.448 56.048 0.046 0.000 1.435 303 H CB 1.357 31.120 29.762 0.002 0.000 1.428 303 H HN 0.772 nan 8.280 nan 0.000 0.590 304 S N 5.008 120.944 115.700 0.394 0.000 2.419 304 S HA -0.184 4.287 4.470 0.002 0.000 0.233 304 S C 2.097 176.802 174.600 0.175 0.000 1.016 304 S CA 0.896 59.225 58.200 0.214 0.000 0.974 304 S CB -0.123 63.094 63.200 0.028 0.000 0.786 304 S HN 0.771 nan 8.310 nan 0.000 0.492 305 R N 1.555 122.163 120.500 0.180 0.000 2.103 305 R HA -0.118 4.223 4.340 0.002 0.000 0.242 305 R C 1.878 178.136 176.300 -0.071 0.000 1.142 305 R CA 1.949 57.973 56.100 -0.127 0.000 0.960 305 R CB -0.972 28.992 30.300 -0.560 0.000 0.858 305 R HN 0.411 nan 8.270 nan 0.000 0.439 306 V N 1.460 121.350 119.914 -0.040 0.000 2.332 306 V HA -0.278 3.843 4.120 0.002 0.000 0.248 306 V C 2.649 178.790 176.094 0.077 0.000 1.055 306 V CA 1.763 64.067 62.300 0.007 0.000 1.038 306 V CB -0.408 31.427 31.823 0.019 0.000 0.651 306 V HN 0.336 nan 8.190 nan 0.000 0.450 307 M N -0.237 119.439 119.600 0.126 0.000 2.086 307 M HA -0.133 4.348 4.480 0.002 0.000 0.261 307 M C 2.329 178.686 176.300 0.095 0.000 1.067 307 M CA 2.052 57.443 55.300 0.150 0.000 1.116 307 M CB -1.806 30.919 32.600 0.208 0.000 1.348 307 M HN 0.421 nan 8.290 nan 0.000 0.407 308 T N 0.532 115.120 114.554 0.057 0.000 2.665 308 T HA -0.157 4.194 4.350 0.002 0.000 0.268 308 T C 2.011 176.739 174.700 0.046 0.000 1.035 308 T CA 1.125 63.243 62.100 0.030 0.000 1.151 308 T CB -0.212 68.655 68.868 -0.001 0.000 0.862 308 T HN 0.273 nan 8.240 nan 0.000 0.438 309 R N 0.865 121.396 120.500 0.053 0.000 2.094 309 R HA -0.045 4.296 4.340 0.002 0.000 0.239 309 R C 2.552 178.885 176.300 0.055 0.000 1.137 309 R CA 1.273 57.421 56.100 0.080 0.000 0.943 309 R CB -1.165 29.223 30.300 0.148 0.000 0.850 309 R HN 0.425 nan 8.270 nan 0.000 0.433 310 L N 0.740 122.005 121.223 0.070 0.000 2.046 310 L HA -0.212 4.129 4.340 0.002 0.000 0.208 310 L C 2.710 179.609 176.870 0.048 0.000 1.077 310 L CA 1.426 56.279 54.840 0.021 0.000 0.747 310 L CB -0.485 41.613 42.059 0.065 0.000 0.896 310 L HN 0.242 nan 8.230 nan 0.000 0.432 311 Q N -0.374 119.498 119.800 0.121 0.000 2.050 311 Q HA -0.248 4.093 4.340 0.002 0.000 0.202 311 Q C 2.342 178.510 176.000 0.280 0.000 0.980 311 Q CA 1.687 57.646 55.803 0.260 0.000 0.840 311 Q CB -0.144 28.677 28.738 0.138 0.000 0.898 311 Q HN 0.341 nan 8.270 nan 0.000 0.424 312 R N 0.554 121.138 120.500 0.141 0.000 2.080 312 R HA -0.156 4.185 4.340 0.002 0.000 0.236 312 R C 2.246 178.559 176.300 0.022 0.000 1.137 312 R CA 1.191 57.351 56.100 0.100 0.000 0.943 312 R CB -0.448 29.885 30.300 0.056 0.000 0.846 312 R HN 0.284 nan 8.270 nan 0.000 0.431 313 L N 0.483 121.660 121.223 -0.078 0.000 2.043 313 L HA -0.216 4.125 4.340 0.002 0.000 0.212 313 L C 2.443 179.210 176.870 -0.172 0.000 1.075 313 L CA 1.971 56.661 54.840 -0.251 0.000 0.752 313 L CB -0.711 41.027 42.059 -0.534 0.000 0.891 313 L HN 0.480 nan 8.230 nan 0.000 0.432 314 A N -1.346 121.428 122.820 -0.078 0.000 1.898 314 A HA -0.014 4.307 4.320 0.002 0.000 0.216 314 A C 1.800 179.333 177.584 -0.084 0.000 1.181 314 A CA 1.889 53.903 52.037 -0.039 0.000 0.620 314 A CB -0.404 18.603 19.000 0.012 0.000 0.819 314 A HN 0.606 nan 8.150 nan 0.000 0.442 315 G N -3.420 105.322 108.800 -0.096 0.000 3.732 315 G HA2 0.070 4.031 3.960 0.002 0.000 0.220 315 G HA3 0.070 4.031 3.960 0.002 0.000 0.220 315 G C -0.015 174.815 174.900 -0.117 0.000 0.903 315 G CA -0.425 44.599 45.100 -0.127 0.000 0.896 315 G HN 0.202 nan 8.290 nan 0.000 0.685 316 F N 2.181 122.158 119.950 0.044 0.000 2.529 316 F HA 0.280 4.808 4.527 0.002 0.000 0.365 316 F C 1.309 177.152 175.800 0.072 0.000 1.102 316 F CA 0.259 58.295 58.000 0.060 0.000 1.271 316 F CB 0.873 39.901 39.000 0.045 0.000 1.120 316 F HN -0.024 nan 8.300 nan 0.000 0.579 317 D N 1.621 122.207 120.400 0.311 0.000 2.346 317 D HA 0.079 4.721 4.640 0.002 0.000 0.206 317 D C -0.150 176.266 176.300 0.192 0.000 1.001 317 D CA 0.864 55.005 54.000 0.235 0.000 0.871 317 D CB 0.785 41.743 40.800 0.264 0.000 0.943 317 D HN 0.074 nan 8.370 nan 0.000 0.518 318 V N 1.263 121.295 119.914 0.196 0.000 2.733 318 V HA 0.250 4.371 4.120 0.002 0.000 0.306 318 V C -0.520 175.576 176.094 0.003 0.000 1.084 318 V CA -0.828 61.535 62.300 0.104 0.000 0.905 318 V CB 3.002 34.901 31.823 0.127 0.000 1.010 318 V HN -0.271 nan 8.190 nan 0.000 0.424 319 V N 5.734 125.613 119.914 -0.058 0.000 2.376 319 V HA 0.493 4.615 4.120 0.002 0.000 0.287 319 V C -0.127 175.863 176.094 -0.174 0.000 1.015 319 V CA -0.420 61.790 62.300 -0.151 0.000 0.834 319 V CB 1.653 33.415 31.823 -0.103 0.000 1.001 319 V HN 0.709 nan 8.190 nan 0.000 0.428 320 I N 6.935 127.362 120.570 -0.237 0.000 2.379 320 I HA 0.326 4.498 4.170 0.002 0.000 0.290 320 I C 0.526 176.609 176.117 -0.057 0.000 1.063 320 I CA 0.266 61.432 61.300 -0.224 0.000 1.351 320 I CB 0.565 38.290 38.000 -0.459 0.000 1.410 320 I HN 0.649 nan 8.210 nan 0.000 0.505 321 M N 7.117 126.601 119.600 -0.194 0.000 2.811 321 M HA 0.702 5.183 4.480 0.002 0.000 0.303 321 M C -2.812 172.996 176.300 -0.820 0.000 1.227 321 M CA -2.220 52.822 55.300 -0.430 0.000 0.874 321 M CB 1.180 33.587 32.600 -0.322 0.000 1.681 321 M HN 0.008 nan 8.290 nan 0.000 0.500 322 P HA 0.246 nan 4.420 nan 0.000 0.271 322 P C -0.360 176.600 177.300 -0.566 0.000 1.220 322 P CA 0.108 62.661 63.100 -0.912 0.000 0.768 322 P CB 0.774 32.013 31.700 -0.768 0.000 0.848 323 G N 1.929 110.462 108.800 -0.446 0.000 2.849 323 G HA2 0.540 4.501 3.960 0.002 0.000 0.174 323 G HA3 0.540 4.501 3.960 0.002 0.000 0.174 323 G C -0.655 173.895 174.900 -0.583 0.000 1.370 323 G CA -0.557 44.203 45.100 -0.565 0.000 1.040 323 G HN 0.328 nan 8.290 nan 0.000 0.582 324 F N -0.424 119.498 119.950 -0.048 0.000 2.362 324 F HA 0.663 5.192 4.527 0.002 0.000 0.340 324 F C 0.960 176.755 175.800 -0.009 0.000 1.088 324 F CA 0.122 58.106 58.000 -0.028 0.000 1.096 324 F CB 0.341 39.333 39.000 -0.013 0.000 1.486 324 F HN 0.957 nan 8.300 nan 0.000 0.500 325 G N 0.209 109.148 108.800 0.231 0.000 2.719 325 G HA2 -0.048 3.913 3.960 0.002 0.000 0.686 325 G HA3 -0.048 3.913 3.960 0.002 0.000 0.686 325 G C -2.493 172.454 174.900 0.078 0.000 1.201 325 G CA -0.681 44.493 45.100 0.124 0.000 0.768 325 G HN 0.484 nan 8.290 nan 0.000 0.629 326 P HA 0.023 nan 4.420 nan 0.000 0.230 326 P C 1.537 178.851 177.300 0.023 0.000 1.168 326 P CA 0.288 63.412 63.100 0.040 0.000 0.793 326 P CB 0.157 31.881 31.700 0.039 0.000 0.851 327 R N -0.116 120.400 120.500 0.028 0.000 2.303 327 R HA 0.002 4.343 4.340 0.002 0.000 0.225 327 R C 1.233 177.537 176.300 0.007 0.000 1.114 327 R CA 0.867 56.979 56.100 0.020 0.000 1.007 327 R CB -0.332 29.985 30.300 0.029 0.000 0.861 327 R HN 0.148 nan 8.270 nan 0.000 0.471 328 M N -0.838 118.758 119.600 -0.007 0.000 2.382 328 M HA 0.137 4.618 4.480 0.002 0.000 0.247 328 M C 0.662 176.924 176.300 -0.063 0.000 1.104 328 M CA 0.031 55.305 55.300 -0.043 0.000 1.030 328 M CB -0.080 32.470 32.600 -0.082 0.000 1.424 328 M HN 0.030 nan 8.290 nan 0.000 0.486 329 M N 0.796 120.372 119.600 -0.039 0.000 2.503 329 M HA -0.204 4.277 4.480 0.002 0.000 0.199 329 M C -0.777 175.481 176.300 -0.069 0.000 0.466 329 M CA 0.766 56.041 55.300 -0.042 0.000 0.510 329 M CB -1.916 30.662 32.600 -0.037 0.000 1.858 329 M HN 0.096 nan 8.290 nan 0.000 0.799 330 T N -0.595 113.905 114.554 -0.090 0.000 2.812 330 T HA 0.567 4.918 4.350 0.002 0.000 0.282 330 T C -2.273 172.371 174.700 -0.094 0.000 0.990 330 T CA -1.322 60.702 62.100 -0.127 0.000 0.960 330 T CB 1.649 70.395 68.868 -0.204 0.000 0.948 330 T HN -0.101 nan 8.240 nan 0.000 0.438 331 P HA 0.088 nan 4.420 nan 0.000 0.261 331 P C 0.944 178.230 177.300 -0.024 0.000 1.173 331 P CA 0.103 63.192 63.100 -0.019 0.000 0.760 331 P CB 0.686 32.369 31.700 -0.028 0.000 0.783 332 E N 2.960 123.224 120.200 0.106 0.000 2.055 332 E HA -0.317 4.034 4.350 0.002 0.000 0.209 332 E C 1.800 178.485 176.600 0.142 0.000 1.036 332 E CA 2.001 58.508 56.400 0.177 0.000 0.849 332 E CB -0.437 29.379 29.700 0.195 0.000 0.767 332 E HN 0.648 nan 8.360 nan 0.000 0.461 333 H N -0.680 118.428 119.070 0.063 0.000 2.457 333 H HA -0.018 4.539 4.556 0.002 0.000 0.294 333 H C 1.923 177.287 175.328 0.060 0.000 1.064 333 H CA 1.552 57.636 56.048 0.061 0.000 1.330 333 H CB -0.287 29.502 29.762 0.045 0.000 1.395 333 H HN 0.261 nan 8.280 nan 0.000 0.541 334 E N 1.157 120.927 120.200 -0.717 0.000 2.051 334 E HA -0.099 4.252 4.350 0.002 0.000 0.192 334 E C 2.502 178.998 176.600 -0.173 0.000 0.991 334 E CA 1.693 57.819 56.400 -0.457 0.000 0.799 334 E CB -0.029 29.374 29.700 -0.494 0.000 0.748 334 E HN 0.277 nan 8.360 nan 0.000 0.449 335 V N 0.681 120.478 119.914 -0.194 0.000 2.343 335 V HA -0.267 3.855 4.120 0.002 0.000 0.247 335 V C 2.353 178.375 176.094 -0.121 0.000 1.051 335 V CA 1.652 63.812 62.300 -0.234 0.000 1.036 335 V CB -0.515 31.029 31.823 -0.465 0.000 0.654 335 V HN 0.305 nan 8.190 nan 0.000 0.451 336 L N -0.157 121.064 121.223 -0.002 0.000 2.083 336 L HA -0.182 4.159 4.340 0.002 0.000 0.209 336 L C 2.324 179.210 176.870 0.026 0.000 1.083 336 L CA 1.432 56.307 54.840 0.059 0.000 0.752 336 L CB -0.747 41.380 42.059 0.112 0.000 0.899 336 L HN 0.324 nan 8.230 nan 0.000 0.433 337 D N -0.769 119.642 120.400 0.017 0.000 2.218 337 D HA -0.165 4.476 4.640 0.002 0.000 0.204 337 D C 2.198 178.479 176.300 -0.031 0.000 0.976 337 D CA 1.147 55.148 54.000 0.002 0.000 0.853 337 D CB -0.172 40.638 40.800 0.017 0.000 0.939 337 D HN 0.390 nan 8.370 nan 0.000 0.481 338 C N -0.026 119.256 119.300 -0.030 0.000 2.522 338 C HA 0.092 4.553 4.460 0.002 0.000 0.280 338 C C 2.799 177.771 174.990 -0.031 0.000 1.303 338 C CA -0.345 58.647 59.018 -0.043 0.000 1.709 338 C CB -0.744 26.953 27.740 -0.071 0.000 2.071 338 C HN 0.290 nan 8.230 nan 0.000 0.492 339 I N 0.935 121.490 120.570 -0.025 0.000 2.118 339 I HA -0.250 3.921 4.170 0.002 0.000 0.241 339 I C 2.666 178.796 176.117 0.022 0.000 1.070 339 I CA 1.431 62.736 61.300 0.007 0.000 1.327 339 I CB -0.505 37.511 38.000 0.027 0.000 1.034 339 I HN 0.235 nan 8.210 nan 0.000 0.405 340 R N 0.982 121.492 120.500 0.018 0.000 2.096 340 R HA -0.180 4.161 4.340 0.002 0.000 0.240 340 R C 2.350 178.658 176.300 0.013 0.000 1.139 340 R CA 1.816 57.927 56.100 0.018 0.000 0.952 340 R CB -1.469 28.838 30.300 0.012 0.000 0.854 340 R HN 0.467 nan 8.270 nan 0.000 0.436 341 A N 0.077 122.895 122.820 -0.003 0.000 1.940 341 A HA -0.194 4.127 4.320 0.002 0.000 0.219 341 A C 2.663 180.258 177.584 0.019 0.000 1.176 341 A CA 1.749 53.785 52.037 -0.001 0.000 0.631 341 A CB -0.854 18.134 19.000 -0.021 0.000 0.814 341 A HN 0.429 nan 8.150 nan 0.000 0.446 342 C N -1.351 117.963 119.300 0.022 0.000 2.475 342 C HA 0.134 4.595 4.460 0.002 0.000 0.279 342 C C 2.548 177.566 174.990 0.047 0.000 1.322 342 C CA 0.960 60.000 59.018 0.036 0.000 1.734 342 C CB -1.155 26.607 27.740 0.036 0.000 2.005 342 C HN 0.626 nan 8.230 nan 0.000 0.495 343 L N -0.620 120.631 121.223 0.047 0.000 2.298 343 L HA 0.122 4.464 4.340 0.002 0.000 0.209 343 L C 0.995 177.893 176.870 0.047 0.000 1.084 343 L CA 0.282 55.154 54.840 0.054 0.000 0.816 343 L CB -0.528 41.567 42.059 0.061 0.000 0.967 343 L HN 0.253 nan 8.230 nan 0.000 0.460 344 E N 1.558 121.782 120.200 0.040 0.000 2.604 344 E HA -0.078 4.273 4.350 0.002 0.000 0.267 344 E C -2.123 174.502 176.600 0.042 0.000 0.970 344 E CA -1.127 55.296 56.400 0.037 0.000 0.956 344 E CB 0.183 29.902 29.700 0.032 0.000 0.939 344 E HN -0.002 nan 8.360 nan 0.000 0.465 345 P HA -0.035 nan 4.420 nan 0.000 0.268 345 P C -0.571 176.758 177.300 0.049 0.000 1.204 345 P CA 0.631 63.757 63.100 0.043 0.000 0.768 345 P CB 0.429 32.152 31.700 0.039 0.000 0.842 346 M N 3.067 122.698 119.600 0.052 0.000 3.269 346 M HA 0.306 4.787 4.480 0.002 0.000 0.340 346 M C 0.491 176.828 176.300 0.062 0.000 1.662 346 M CA 0.063 55.403 55.300 0.066 0.000 0.547 346 M CB 0.032 32.671 32.600 0.065 0.000 1.449 346 M HN 0.661 nan 8.290 nan 0.000 0.459 347 G N 2.898 111.736 108.800 0.062 0.000 2.596 347 G HA2 -0.271 3.690 3.960 0.002 0.000 0.295 347 G HA3 -0.271 3.690 3.960 0.002 0.000 0.295 347 G C -1.844 173.080 174.900 0.041 0.000 1.240 347 G CA 0.230 45.364 45.100 0.057 0.000 0.985 347 G HN 0.479 nan 8.290 nan 0.000 0.555 348 P HA 0.225 nan 4.420 nan 0.000 0.245 348 P C 0.567 177.877 177.300 0.016 0.000 1.212 348 P CA 0.292 63.405 63.100 0.022 0.000 0.774 348 P CB 0.057 31.767 31.700 0.017 0.000 0.999 349 I N 1.270 121.851 120.570 0.018 0.000 2.396 349 I HA 0.118 4.289 4.170 0.002 0.000 0.289 349 I C 1.056 177.186 176.117 0.020 0.000 1.056 349 I CA -0.931 60.375 61.300 0.009 0.000 1.365 349 I CB 0.003 37.997 38.000 -0.010 0.000 1.407 349 I HN -0.122 nan 8.210 nan 0.000 0.509 350 K N 7.721 128.133 120.400 0.021 0.000 2.414 350 K HA 0.143 4.465 4.320 0.002 0.000 0.272 350 K C -2.169 174.459 176.600 0.047 0.000 0.993 350 K CA -1.189 55.119 56.287 0.035 0.000 0.964 350 K CB 0.107 32.630 32.500 0.038 0.000 0.925 350 K HN 0.372 nan 8.250 nan 0.000 0.487 351 P HA 0.008 nan 4.420 nan 0.000 0.271 351 P C -0.085 177.259 177.300 0.074 0.000 1.220 351 P CA -0.421 62.715 63.100 0.060 0.000 0.768 351 P CB 0.255 31.991 31.700 0.060 0.000 0.848 352 C N 3.733 123.080 119.300 0.077 0.000 2.335 352 C HA 0.670 5.131 4.460 0.002 0.000 0.363 352 C C 0.241 175.281 174.990 0.084 0.000 1.198 352 C CA -1.258 57.816 59.018 0.093 0.000 2.279 352 C CB -0.147 27.658 27.740 0.110 0.000 2.334 352 C HN 0.540 nan 8.230 nan 0.000 0.559 353 L N 3.911 125.188 121.223 0.091 0.000 2.315 353 L HA 0.524 4.865 4.340 0.002 0.000 0.283 353 L C -2.041 174.871 176.870 0.070 0.000 1.089 353 L CA -1.481 53.412 54.840 0.088 0.000 0.833 353 L CB 0.541 42.660 42.059 0.100 0.000 1.170 353 L HN 0.638 nan 8.230 nan 0.000 0.442 354 P HA 0.171 nan 4.420 nan 0.000 0.284 354 P C -1.294 176.043 177.300 0.061 0.000 1.253 354 P CA -0.246 62.880 63.100 0.045 0.000 0.800 354 P CB 1.541 33.276 31.700 0.058 0.000 0.961 355 V N 4.364 124.257 119.914 -0.035 0.000 2.380 355 V HA 0.232 4.353 4.120 0.002 0.000 0.268 355 V C -2.423 173.617 176.094 -0.091 0.000 1.008 355 V CA -1.985 60.278 62.300 -0.061 0.000 0.823 355 V CB 1.227 32.867 31.823 -0.304 0.000 1.053 355 V HN 0.431 nan 8.190 nan 0.000 0.446 356 P HA 0.144 nan 4.420 nan 0.000 0.265 356 P C 0.926 178.166 177.300 -0.100 0.000 1.222 356 P CA 0.764 63.780 63.100 -0.141 0.000 0.767 356 P CB 0.833 32.464 31.700 -0.115 0.000 0.801 357 G N 3.030 111.738 108.800 -0.153 0.000 2.467 357 G HA2 0.436 4.398 3.960 0.002 0.000 0.243 357 G HA3 0.436 4.398 3.960 0.002 0.000 0.243 357 G C 0.277 175.141 174.900 -0.060 0.000 1.521 357 G CA 0.154 45.224 45.100 -0.051 0.000 1.055 357 G HN 0.827 nan 8.290 nan 0.000 0.553 358 G N -2.586 106.204 108.800 -0.017 0.000 2.692 358 G HA2 0.258 4.219 3.960 0.002 0.000 0.686 358 G HA3 0.258 4.219 3.960 0.002 0.000 0.686 358 G C -0.022 174.868 174.900 -0.018 0.000 1.243 358 G CA 0.136 45.232 45.100 -0.006 0.000 0.782 358 G HN 1.670 nan 8.290 nan 0.000 0.625 359 S N 1.410 117.107 115.700 -0.005 0.000 3.065 359 S HA 0.453 4.924 4.470 0.002 0.000 0.311 359 S C -0.218 174.342 174.600 -0.066 0.000 1.204 359 S CA -0.494 57.684 58.200 -0.037 0.000 1.040 359 S CB 0.766 63.959 63.200 -0.012 0.000 1.436 359 S HN 0.577 nan 8.310 nan 0.000 0.532 360 D N 2.424 122.738 120.400 -0.142 0.000 2.175 360 D HA 0.586 5.227 4.640 0.002 0.000 0.248 360 D C 0.348 176.537 176.300 -0.184 0.000 1.047 360 D CA -0.062 53.845 54.000 -0.155 0.000 0.883 360 D CB 1.973 42.467 40.800 -0.510 0.000 1.180 360 D HN 0.605 nan 8.370 nan 0.000 0.438 361 S N -0.742 114.958 115.700 0.000 0.000 2.794 361 S HA 0.610 5.081 4.470 0.002 0.000 0.299 361 S C 0.893 175.635 174.600 0.238 0.000 1.179 361 S CA -0.420 57.751 58.200 -0.048 0.000 0.838 361 S CB 1.208 64.198 63.200 -0.350 0.000 1.206 361 S HN 0.278 nan 8.310 nan 0.000 0.523 362 A N 0.245 123.187 122.820 0.203 0.000 2.076 362 A HA 0.227 4.548 4.320 0.002 0.000 0.220 362 A C 2.127 179.833 177.584 0.203 0.000 1.160 362 A CA 1.905 54.067 52.037 0.207 0.000 0.653 362 A CB -1.509 17.605 19.000 0.191 0.000 0.801 362 A HN 1.380 nan 8.150 nan 0.000 0.455 363 A N -0.695 122.258 122.820 0.222 0.000 2.016 363 A HA 0.029 4.351 4.320 0.002 0.000 0.217 363 A C 2.261 179.953 177.584 0.180 0.000 1.162 363 A CA 2.005 54.158 52.037 0.192 0.000 0.662 363 A CB -0.770 18.356 19.000 0.210 0.000 0.812 363 A HN 0.766 nan 8.150 nan 0.000 0.450 364 T N -3.072 111.622 114.554 0.232 0.000 3.060 364 T HA 0.119 4.470 4.350 0.002 0.000 0.249 364 T C 1.584 176.449 174.700 0.275 0.000 1.079 364 T CA 0.698 62.944 62.100 0.244 0.000 1.013 364 T CB -0.220 68.805 68.868 0.263 0.000 0.975 364 T HN 0.116 nan 8.240 nan 0.000 0.518 365 L N 1.836 123.197 121.223 0.229 0.000 2.012 365 L HA 0.031 4.372 4.340 0.002 0.000 0.210 365 L C 2.542 179.475 176.870 0.105 0.000 1.073 365 L CA 2.262 57.083 54.840 -0.032 0.000 0.748 365 L CB -0.808 41.139 42.059 -0.185 0.000 0.891 365 L HN 0.414 nan 8.230 nan 0.000 0.431 366 E N -0.591 119.682 120.200 0.121 0.000 2.065 366 E HA -0.328 4.024 4.350 0.002 0.000 0.201 366 E C 2.152 178.831 176.600 0.133 0.000 1.016 366 E CA 1.778 58.261 56.400 0.138 0.000 0.818 366 E CB -0.353 29.399 29.700 0.087 0.000 0.749 366 E HN 0.655 nan 8.360 nan 0.000 0.453 367 N N -0.077 118.669 118.700 0.075 0.000 2.058 367 N HA -0.167 4.575 4.740 0.002 0.000 0.191 367 N C 1.984 177.426 175.510 -0.112 0.000 1.037 367 N CA 1.853 54.895 53.050 -0.013 0.000 0.848 367 N CB -0.028 38.453 38.487 -0.011 0.000 1.021 367 N HN 0.081 nan 8.380 nan 0.000 0.422 368 V N 0.866 120.752 119.914 -0.047 0.000 2.332 368 V HA -0.241 3.880 4.120 0.002 0.000 0.248 368 V C 2.197 178.114 176.094 -0.295 0.000 1.055 368 V CA 1.847 64.048 62.300 -0.165 0.000 1.038 368 V CB -0.989 30.905 31.823 0.119 0.000 0.651 368 V HN 0.410 nan 8.190 nan 0.000 0.450 369 Y N 1.077 121.275 120.300 -0.170 0.000 2.181 369 Y HA -0.176 4.375 4.550 0.002 0.000 0.288 369 Y C 2.717 178.580 175.900 -0.061 0.000 1.146 369 Y CA 1.611 59.690 58.100 -0.035 0.000 1.164 369 Y CB -0.283 38.368 38.460 0.318 0.000 0.982 369 Y HN 0.040 nan 8.280 nan 0.000 0.515 370 R N 0.179 120.580 120.500 -0.165 0.000 2.081 370 R HA -0.166 4.175 4.340 0.002 0.000 0.235 370 R C 2.202 178.324 176.300 -0.297 0.000 1.131 370 R CA 1.897 57.853 56.100 -0.240 0.000 0.960 370 R CB -0.203 30.032 30.300 -0.109 0.000 0.856 370 R HN 0.280 nan 8.270 nan 0.000 0.436 371 K N -0.237 119.950 120.400 -0.354 0.000 2.167 371 K HA -0.004 4.317 4.320 0.002 0.000 0.203 371 K C 1.879 178.309 176.600 -0.284 0.000 1.052 371 K CA 0.446 56.492 56.287 -0.402 0.000 0.956 371 K CB 0.278 32.299 32.500 -0.797 0.000 0.735 371 K HN -0.052 nan 8.250 nan 0.000 0.451 372 V N -0.443 119.284 119.914 -0.312 0.000 2.548 372 V HA -0.038 4.083 4.120 0.002 0.000 0.249 372 V C 1.546 177.549 176.094 -0.152 0.000 1.055 372 V CA 1.680 63.859 62.300 -0.201 0.000 1.065 372 V CB -0.239 31.359 31.823 -0.374 0.000 0.681 372 V HN 0.649 nan 8.190 nan 0.000 0.462 373 G N 0.515 109.161 108.800 -0.256 0.000 2.217 373 G HA2 -0.251 3.710 3.960 0.002 0.000 0.246 373 G HA3 -0.251 3.710 3.960 0.002 0.000 0.246 373 G C 0.365 175.149 174.900 -0.193 0.000 0.990 373 G CA 0.860 45.827 45.100 -0.220 0.000 0.627 373 G HN 1.244 nan 8.290 nan 0.000 0.522 374 S N -2.047 113.594 115.700 -0.098 0.000 2.672 374 S HA 0.787 5.258 4.470 0.002 0.000 0.271 374 S C 0.646 175.536 174.600 0.482 0.000 1.171 374 S CA 0.461 58.749 58.200 0.147 0.000 0.817 374 S CB 1.065 64.353 63.200 0.147 0.000 1.150 374 S HN 1.757 nan 8.310 nan 0.000 0.478 375 A N -0.177 122.941 122.820 0.497 0.000 2.278 375 A HA 0.301 4.622 4.320 0.002 0.000 0.212 375 A C 0.133 177.756 177.584 0.066 0.000 1.213 375 A CA 0.209 52.457 52.037 0.352 0.000 0.840 375 A CB -0.714 18.405 19.000 0.198 0.000 0.866 375 A HN 0.651 nan 8.150 nan 0.000 0.489 376 D N 0.919 121.461 120.400 0.237 0.000 2.619 376 D HA 0.458 5.099 4.640 0.002 0.000 0.224 376 D C -0.597 175.853 176.300 0.250 0.000 1.133 376 D CA 0.397 54.480 54.000 0.137 0.000 1.017 376 D CB -0.534 40.349 40.800 0.137 0.000 1.077 376 D HN 0.468 nan 8.370 nan 0.000 0.503 377 F N -2.006 117.948 119.950 0.007 0.000 2.741 377 F HA 0.684 5.212 4.527 0.002 0.000 0.311 377 F C -0.049 175.778 175.800 0.045 0.000 1.149 377 F CA -1.460 56.566 58.000 0.044 0.000 0.930 377 F CB 0.751 39.807 39.000 0.093 0.000 1.312 377 F HN -0.044 nan 8.300 nan 0.000 0.450 378 G N 0.336 109.281 108.800 0.243 0.000 2.488 378 G HA2 0.625 4.586 3.960 0.002 0.000 0.318 378 G HA3 0.625 4.586 3.960 0.002 0.000 0.318 378 G C -2.448 172.742 174.900 0.484 0.000 1.188 378 G CA -0.755 44.517 45.100 0.288 0.000 0.944 378 G HN 0.766 nan 8.290 nan 0.000 0.495 379 F N 0.670 120.812 119.950 0.320 0.000 2.573 379 F HA 0.499 5.027 4.527 0.002 0.000 0.316 379 F C -0.626 175.369 175.800 0.326 0.000 1.148 379 F CA -1.109 57.101 58.000 0.349 0.000 0.940 379 F CB 2.364 41.619 39.000 0.425 0.000 1.214 379 F HN 0.322 nan 8.300 nan 0.000 0.448 380 V N 5.861 125.661 119.914 -0.190 0.000 2.315 380 V HA 0.393 4.514 4.120 0.002 0.000 0.265 380 V C -2.548 173.416 176.094 -0.217 0.000 1.019 380 V CA -1.590 60.651 62.300 -0.099 0.000 0.824 380 V CB 0.301 32.062 31.823 -0.104 0.000 1.072 380 V HN 0.538 nan 8.190 nan 0.000 0.448 381 P HA 0.441 nan 4.420 nan 0.000 0.277 381 P C 0.708 178.007 177.300 -0.001 0.000 1.240 381 P CA 0.248 63.241 63.100 -0.179 0.000 0.798 381 P CB 1.800 33.402 31.700 -0.163 0.000 0.979 382 G N 1.549 110.353 108.800 0.007 0.000 2.529 382 G HA2 0.126 4.087 3.960 0.002 0.000 0.220 382 G HA3 0.126 4.087 3.960 0.002 0.000 0.220 382 G C 0.095 175.093 174.900 0.164 0.000 1.976 382 G CA -0.222 44.947 45.100 0.114 0.000 0.789 382 G HN 0.330 nan 8.290 nan 0.000 0.695 383 R N 0.324 120.869 120.500 0.074 0.000 2.734 383 R HA 0.373 4.715 4.340 0.002 0.000 0.266 383 R C 1.221 177.430 176.300 -0.151 0.000 1.044 383 R CA 1.177 57.312 56.100 0.058 0.000 1.128 383 R CB 0.431 30.776 30.300 0.074 0.000 1.010 383 R HN 0.800 nan 8.270 nan 0.000 0.461 384 G N -0.032 108.653 108.800 -0.191 0.000 2.258 384 G HA2 -0.277 3.684 3.960 0.002 0.000 0.233 384 G HA3 -0.277 3.684 3.960 0.002 0.000 0.233 384 G C 0.518 175.349 174.900 -0.115 0.000 1.006 384 G CA 0.233 45.001 45.100 -0.552 0.000 0.620 384 G HN 0.434 nan 8.290 nan 0.000 0.511 385 V N -0.248 119.602 119.914 -0.106 0.000 2.735 385 V HA 0.366 4.487 4.120 0.002 0.000 0.234 385 V C 1.954 177.890 176.094 -0.263 0.000 1.121 385 V CA 1.700 63.845 62.300 -0.259 0.000 1.160 385 V CB -0.615 30.899 31.823 -0.516 0.000 0.908 385 V HN 0.195 nan 8.190 nan 0.000 0.495 386 F N 1.574 121.542 119.950 0.030 0.000 2.710 386 F HA 0.230 4.758 4.527 0.002 0.000 0.298 386 F C 2.167 178.014 175.800 0.079 0.000 1.137 386 F CA 1.040 59.058 58.000 0.030 0.000 1.444 386 F CB -0.484 38.503 39.000 -0.021 0.000 1.111 386 F HN 0.244 nan 8.300 nan 0.000 0.580 387 G N -1.854 107.101 108.800 0.258 0.000 2.777 387 G HA2 -0.109 3.852 3.960 0.002 0.000 0.211 387 G HA3 -0.109 3.852 3.960 0.002 0.000 0.211 387 G C 0.479 175.576 174.900 0.328 0.000 1.149 387 G CA -0.124 45.142 45.100 0.276 0.000 0.785 387 G HN 0.273 nan 8.290 nan 0.000 0.536 388 H N 1.620 120.844 119.070 0.257 0.000 3.034 388 H HA 0.030 4.587 4.556 0.002 0.000 0.324 388 H C -1.238 174.140 175.328 0.084 0.000 1.015 388 H CA -0.878 55.303 56.048 0.221 0.000 1.429 388 H CB 1.684 31.537 29.762 0.152 0.000 1.429 388 H HN -0.022 nan 8.280 nan 0.000 0.585 389 P HA -0.162 nan 4.420 nan 0.000 0.216 389 P C 1.421 178.760 177.300 0.064 0.000 1.150 389 P CA 1.614 64.646 63.100 -0.114 0.000 0.843 389 P CB 0.105 31.653 31.700 -0.254 0.000 0.787 390 M N -2.013 117.752 119.600 0.273 0.000 2.618 390 M HA 0.208 4.690 4.480 0.002 0.000 0.240 390 M C 0.756 177.159 176.300 0.172 0.000 1.123 390 M CA 0.426 55.866 55.300 0.233 0.000 1.060 390 M CB -0.276 32.485 32.600 0.269 0.000 1.535 390 M HN -0.019 nan 8.290 nan 0.000 0.507 391 G N 0.334 109.256 108.800 0.203 0.000 2.603 391 G HA2 -0.135 3.826 3.960 0.002 0.000 0.686 391 G HA3 -0.135 3.826 3.960 0.002 0.000 0.686 391 G C -2.786 172.136 174.900 0.036 0.000 1.286 391 G CA -1.103 44.062 45.100 0.109 0.000 0.871 391 G HN 0.024 nan 8.290 nan 0.000 0.568 392 P HA 0.060 nan 4.420 nan 0.000 0.216 392 P C 2.299 179.463 177.300 -0.226 0.000 1.153 392 P CA 2.807 65.804 63.100 -0.170 0.000 0.844 392 P CB -0.064 31.574 31.700 -0.103 0.000 0.787 393 A N 0.505 123.246 122.820 -0.132 0.000 1.873 393 A HA -0.210 4.111 4.320 0.002 0.000 0.218 393 A C 2.388 179.869 177.584 -0.172 0.000 1.193 393 A CA 2.654 54.611 52.037 -0.132 0.000 0.629 393 A CB -1.732 17.229 19.000 -0.066 0.000 0.826 393 A HN 0.212 nan 8.150 nan 0.000 0.447 394 A N -0.795 121.914 122.820 -0.184 0.000 1.969 394 A HA 0.181 4.502 4.320 0.002 0.000 0.218 394 A C 2.403 179.670 177.584 -0.529 0.000 1.169 394 A CA 1.816 53.682 52.037 -0.286 0.000 0.635 394 A CB -1.346 17.513 19.000 -0.235 0.000 0.810 394 A HN 0.778 nan 8.150 nan 0.000 0.445 395 G N -0.205 108.267 108.800 -0.547 0.000 2.446 395 G HA2 -0.052 3.909 3.960 0.002 0.000 0.217 395 G HA3 -0.052 3.909 3.960 0.002 0.000 0.217 395 G C 1.772 176.499 174.900 -0.288 0.000 1.168 395 G CA 1.580 46.416 45.100 -0.441 0.000 0.771 395 G HN 0.776 nan 8.290 nan 0.000 0.551 396 A N 0.328 122.976 122.820 -0.287 0.000 1.858 396 A HA -0.048 4.273 4.320 0.002 0.000 0.216 396 A C 2.537 179.994 177.584 -0.212 0.000 1.190 396 A CA 2.592 54.484 52.037 -0.241 0.000 0.617 396 A CB -1.181 17.687 19.000 -0.219 0.000 0.827 396 A HN 0.304 nan 8.150 nan 0.000 0.443 397 T N 0.851 115.292 114.554 -0.188 0.000 2.685 397 T HA -0.230 4.121 4.350 0.002 0.000 0.268 397 T C 2.307 176.932 174.700 -0.125 0.000 1.034 397 T CA 2.332 64.349 62.100 -0.138 0.000 1.149 397 T CB -0.621 68.183 68.868 -0.107 0.000 0.860 397 T HN 0.847 nan 8.240 nan 0.000 0.449 398 S N 1.722 117.336 115.700 -0.144 0.000 2.383 398 S HA -0.103 4.368 4.470 0.002 0.000 0.229 398 S C 2.082 176.660 174.600 -0.037 0.000 1.030 398 S CA 0.922 59.092 58.200 -0.050 0.000 1.002 398 S CB -0.676 62.529 63.200 0.008 0.000 0.829 398 S HN 0.420 nan 8.310 nan 0.000 0.467 399 I N 1.737 122.245 120.570 -0.104 0.000 2.202 399 I HA -0.079 4.093 4.170 0.002 0.000 0.242 399 I C 2.887 178.835 176.117 -0.282 0.000 1.091 399 I CA 1.132 62.327 61.300 -0.175 0.000 1.368 399 I CB -1.240 36.585 38.000 -0.292 0.000 1.058 399 I HN 0.281 nan 8.210 nan 0.000 0.410 400 R N 1.191 121.496 120.500 -0.325 0.000 2.103 400 R HA -0.191 4.150 4.340 0.002 0.000 0.242 400 R C 2.182 178.464 176.300 -0.030 0.000 1.142 400 R CA 1.405 57.380 56.100 -0.208 0.000 0.960 400 R CB -0.880 29.341 30.300 -0.132 0.000 0.858 400 R HN 0.588 nan 8.270 nan 0.000 0.439 401 Q N -0.297 119.476 119.800 -0.045 0.000 2.016 401 Q HA -0.003 4.338 4.340 0.002 0.000 0.200 401 Q C 2.229 178.211 176.000 -0.029 0.000 0.978 401 Q CA 1.428 57.215 55.803 -0.028 0.000 0.833 401 Q CB -0.294 28.424 28.738 -0.034 0.000 0.895 401 Q HN 0.350 nan 8.270 nan 0.000 0.427 402 A N 1.647 124.471 122.820 0.006 0.000 1.903 402 A HA -0.247 4.074 4.320 0.002 0.000 0.219 402 A C 1.796 179.368 177.584 -0.020 0.000 1.191 402 A CA 1.622 53.666 52.037 0.012 0.000 0.638 402 A CB -1.408 17.620 19.000 0.048 0.000 0.823 402 A HN 0.750 nan 8.150 nan 0.000 0.451 403 W N 0.922 122.133 121.300 -0.148 0.000 2.355 403 W HA -0.207 4.454 4.660 0.002 0.000 0.309 403 W C 1.269 177.683 176.519 -0.174 0.000 1.206 403 W CA 1.982 59.252 57.345 -0.126 0.000 1.284 403 W CB -0.359 29.110 29.460 0.015 0.000 1.145 403 W HN 0.428 nan 8.180 nan 0.000 0.502 404 D N 0.617 120.837 120.400 -0.300 0.000 2.158 404 D HA -0.195 4.446 4.640 0.002 0.000 0.197 404 D C 2.299 178.210 176.300 -0.647 0.000 0.995 404 D CA 2.101 55.843 54.000 -0.431 0.000 0.846 404 D CB -0.779 39.864 40.800 -0.262 0.000 0.941 404 D HN 0.204 nan 8.370 nan 0.000 0.456 405 A N 0.666 123.065 122.820 -0.701 0.000 1.845 405 A HA -0.148 4.173 4.320 0.002 0.000 0.215 405 A C 2.413 179.685 177.584 -0.519 0.000 1.195 405 A CA 1.153 52.790 52.037 -0.667 0.000 0.616 405 A CB -0.860 17.866 19.000 -0.457 0.000 0.832 405 A HN 0.198 nan 8.150 nan 0.000 0.443 406 I N 0.110 120.345 120.570 -0.559 0.000 2.151 406 I HA -0.347 3.825 4.170 0.002 0.000 0.243 406 I C 2.895 178.553 176.117 -0.764 0.000 1.080 406 I CA 1.402 62.336 61.300 -0.611 0.000 1.339 406 I CB -0.369 37.200 38.000 -0.719 0.000 1.039 406 I HN 0.355 nan 8.210 nan 0.000 0.409 407 A N 0.357 122.496 122.820 -1.136 0.000 2.019 407 A HA -0.003 4.319 4.320 0.002 0.000 0.219 407 A C 2.301 179.624 177.584 -0.436 0.000 1.164 407 A CA 1.657 53.177 52.037 -0.863 0.000 0.644 407 A CB -0.603 17.828 19.000 -0.949 0.000 0.805 407 A HN 0.460 nan 8.150 nan 0.000 0.449 408 A N -1.902 120.677 122.820 -0.401 0.000 2.275 408 A HA 0.439 4.760 4.320 0.002 0.000 0.212 408 A C 1.739 179.208 177.584 -0.192 0.000 1.201 408 A CA 1.052 52.941 52.037 -0.246 0.000 0.843 408 A CB -0.831 18.032 19.000 -0.230 0.000 0.873 408 A HN 1.779 nan 8.150 nan 0.000 0.492 409 G N -0.435 108.233 108.800 -0.220 0.000 2.166 409 G HA2 -0.260 3.701 3.960 0.002 0.000 0.260 409 G HA3 -0.260 3.701 3.960 0.002 0.000 0.260 409 G C 0.133 174.967 174.900 -0.110 0.000 0.986 409 G CA 0.525 45.542 45.100 -0.137 0.000 0.683 409 G HN 0.506 nan 8.290 nan 0.000 0.527 410 I N 2.849 123.332 120.570 -0.144 0.000 2.416 410 I HA 0.254 4.425 4.170 0.002 0.000 0.288 410 I C -1.278 174.790 176.117 -0.082 0.000 1.051 410 I CA -2.194 59.049 61.300 -0.094 0.000 1.375 410 I CB 0.999 38.939 38.000 -0.100 0.000 1.407 410 I HN -0.069 nan 8.210 nan 0.000 0.516 411 P HA 0.003 nan 4.420 nan 0.000 0.269 411 P C 0.886 178.190 177.300 0.006 0.000 1.209 411 P CA -0.114 62.978 63.100 -0.013 0.000 0.776 411 P CB 1.107 32.810 31.700 0.005 0.000 0.876 412 V N 4.535 124.457 119.914 0.013 0.000 2.216 412 V HA -0.144 3.977 4.120 0.002 0.000 0.243 412 V C -0.452 175.688 176.094 0.077 0.000 1.044 412 V CA 2.438 64.761 62.300 0.039 0.000 0.995 412 V CB -2.448 29.399 31.823 0.041 0.000 0.633 412 V HN 0.591 nan 8.190 nan 0.000 0.446 413 P HA -0.180 nan 4.420 nan 0.000 0.219 413 P C 0.684 178.022 177.300 0.064 0.000 1.144 413 P CA 1.686 64.823 63.100 0.062 0.000 0.806 413 P CB -0.125 31.603 31.700 0.047 0.000 0.771 414 D N -1.858 118.583 120.400 0.069 0.000 2.091 414 D HA -0.160 4.481 4.640 0.002 0.000 0.199 414 D C 2.099 178.464 176.300 0.108 0.000 0.980 414 D CA 0.965 55.008 54.000 0.071 0.000 0.831 414 D CB -1.148 39.688 40.800 0.061 0.000 0.987 414 D HN 0.313 nan 8.370 nan 0.000 0.460 415 H N 0.332 119.415 119.070 0.022 0.000 2.387 415 H HA -0.096 4.461 4.556 0.002 0.000 0.299 415 H C 1.851 177.247 175.328 0.114 0.000 1.099 415 H CA 1.427 57.500 56.048 0.043 0.000 1.315 415 H CB 0.112 29.848 29.762 -0.043 0.000 1.380 415 H HN 0.119 nan 8.280 nan 0.000 0.513 416 A N 0.870 123.750 122.820 0.101 0.000 2.019 416 A HA -0.073 4.248 4.320 0.002 0.000 0.219 416 A C 2.576 180.186 177.584 0.042 0.000 1.164 416 A CA 1.263 53.343 52.037 0.071 0.000 0.644 416 A CB -0.753 18.296 19.000 0.081 0.000 0.805 416 A HN 0.555 nan 8.150 nan 0.000 0.449 417 A N -0.006 122.832 122.820 0.030 0.000 2.125 417 A HA 0.020 4.342 4.320 0.002 0.000 0.219 417 A C 2.105 179.673 177.584 -0.028 0.000 1.156 417 A CA 1.897 53.938 52.037 0.006 0.000 0.671 417 A CB -0.484 18.522 19.000 0.010 0.000 0.794 417 A HN 1.022 nan 8.150 nan 0.000 0.459 418 S N -2.071 113.598 115.700 -0.051 0.000 2.603 418 S HA 0.253 4.725 4.470 0.002 0.000 0.232 418 S C -0.126 174.239 174.600 -0.392 0.000 1.016 418 S CA -0.464 57.630 58.200 -0.176 0.000 0.976 418 S CB -0.231 62.852 63.200 -0.195 0.000 0.921 418 S HN 0.509 nan 8.310 nan 0.000 0.516 419 H N 1.811 120.786 119.070 -0.158 0.000 2.762 419 H HA 0.437 4.995 4.556 0.002 0.000 0.310 419 H C -2.285 173.014 175.328 -0.047 0.000 1.004 419 H CA -1.617 54.359 56.048 -0.120 0.000 1.267 419 H CB 1.552 31.208 29.762 -0.176 0.000 1.437 419 H HN 0.016 nan 8.280 nan 0.000 0.498 420 P HA -0.181 nan 4.420 nan 0.000 0.215 420 P C 0.848 178.201 177.300 0.087 0.000 1.153 420 P CA 1.241 64.363 63.100 0.036 0.000 0.853 420 P CB 0.567 32.276 31.700 0.014 0.000 0.788 421 E N -0.766 119.494 120.200 0.101 0.000 2.072 421 E HA -0.130 4.221 4.350 0.002 0.000 0.191 421 E C 1.881 178.600 176.600 0.198 0.000 0.985 421 E CA 0.678 57.156 56.400 0.131 0.000 0.801 421 E CB -1.207 28.495 29.700 0.003 0.000 0.750 421 E HN 0.102 nan 8.360 nan 0.000 0.452 422 L N 0.587 121.896 121.223 0.143 0.000 2.093 422 L HA -0.031 4.311 4.340 0.002 0.000 0.208 422 L C 2.036 178.992 176.870 0.144 0.000 1.085 422 L CA 1.887 56.815 54.840 0.146 0.000 0.755 422 L CB -0.819 41.309 42.059 0.115 0.000 0.904 422 L HN 0.117 nan 8.230 nan 0.000 0.435 423 A N -0.356 122.531 122.820 0.112 0.000 1.858 423 A HA -0.113 4.208 4.320 0.002 0.000 0.216 423 A C 2.483 180.101 177.584 0.056 0.000 1.190 423 A CA 1.902 53.983 52.037 0.073 0.000 0.617 423 A CB -1.293 17.735 19.000 0.046 0.000 0.827 423 A HN 0.551 nan 8.150 nan 0.000 0.443 424 A N -0.208 122.652 122.820 0.066 0.000 1.917 424 A HA 0.052 4.374 4.320 0.002 0.000 0.219 424 A C 2.477 180.000 177.584 -0.100 0.000 1.182 424 A CA 2.476 54.502 52.037 -0.019 0.000 0.633 424 A CB -0.980 18.028 19.000 0.013 0.000 0.819 424 A HN 1.125 nan 8.150 nan 0.000 0.448 425 A N -0.692 122.179 122.820 0.084 0.000 1.929 425 A HA 0.124 4.445 4.320 0.002 0.000 0.216 425 A C 2.153 179.840 177.584 0.170 0.000 1.176 425 A CA 1.180 53.323 52.037 0.175 0.000 0.628 425 A CB -0.469 18.822 19.000 0.485 0.000 0.816 425 A HN 0.458 nan 8.150 nan 0.000 0.444 426 L N -1.011 120.291 121.223 0.132 0.000 2.017 426 L HA -0.201 4.140 4.340 0.002 0.000 0.208 426 L C 2.887 179.775 176.870 0.029 0.000 1.073 426 L CA 1.482 56.385 54.840 0.105 0.000 0.745 426 L CB -0.525 41.587 42.059 0.088 0.000 0.894 426 L HN 0.374 nan 8.230 nan 0.000 0.432 427 R N -0.154 120.328 120.500 -0.029 0.000 2.097 427 R HA -0.214 4.127 4.340 0.002 0.000 0.236 427 R C 2.353 178.556 176.300 -0.160 0.000 1.135 427 R CA 1.781 57.834 56.100 -0.079 0.000 0.934 427 R CB -0.556 29.689 30.300 -0.093 0.000 0.846 427 R HN 0.382 nan 8.270 nan 0.000 0.431 428 A N 0.217 122.839 122.820 -0.331 0.000 1.969 428 A HA -0.031 4.290 4.320 0.002 0.000 0.218 428 A C 0.735 177.939 177.584 -0.633 0.000 1.169 428 A CA 1.056 52.720 52.037 -0.622 0.000 0.635 428 A CB -0.087 18.270 19.000 -1.072 0.000 0.810 428 A HN 0.168 nan 8.150 nan 0.000 0.445 429 F N 0.000 119.952 119.950 0.004 0.000 2.286 429 F HA 0.000 4.528 4.527 0.002 0.000 0.279 429 F CA 0.000 58.017 58.000 0.029 0.000 1.383 429 F CB 0.000 39.031 39.000 0.051 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574