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_A 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.234 32.600 -0.611 0.000 1.302 2 T N 1.507 116.112 114.554 0.086 0.000 2.720 2 T HA -0.008 4.336 4.350 -0.011 0.000 0.268 2 T C -1.230 173.520 174.700 0.084 0.000 1.037 2 T CA 1.610 63.769 62.100 0.098 0.000 1.144 2 T CB -1.363 67.564 68.868 0.099 0.000 0.864 2 T HN 0.440 nan 8.240 nan 0.000 0.444 3 P HA 0.240 nan 4.420 nan 0.000 0.338 3 P C -0.289 177.063 177.300 0.088 0.000 1.417 3 P CA 0.293 63.443 63.100 0.083 0.000 0.868 3 P CB 0.336 32.088 31.700 0.087 0.000 2.131 4 D N -0.937 119.516 120.400 0.088 0.000 2.525 4 D HA 0.044 4.678 4.640 -0.011 0.000 0.229 4 D C 0.525 176.888 176.300 0.105 0.000 1.202 4 D CA 0.022 54.068 54.000 0.076 0.000 0.828 4 D CB -0.403 40.420 40.800 0.039 0.000 1.008 4 D HN 0.141 nan 8.370 nan 0.000 0.493 5 D N 0.685 121.194 120.400 0.181 0.000 2.228 5 D HA -0.159 4.475 4.640 -0.011 0.000 0.203 5 D C 2.104 178.519 176.300 0.191 0.000 0.988 5 D CA 0.523 54.677 54.000 0.256 0.000 0.864 5 D CB 0.144 41.268 40.800 0.539 0.000 0.928 5 D HN 0.364 nan 8.370 nan 0.000 0.469 6 I N 1.268 121.952 120.570 0.190 0.000 2.208 6 I HA -0.311 3.852 4.170 -0.011 0.000 0.245 6 I C 2.527 178.807 176.117 0.272 0.000 1.097 6 I CA 1.098 62.545 61.300 0.245 0.000 1.363 6 I CB -0.284 37.815 38.000 0.165 0.000 1.051 6 I HN -0.041 nan 8.210 nan 0.000 0.413 7 A N 0.972 123.860 122.820 0.112 0.000 1.903 7 A HA -0.230 4.084 4.320 -0.011 0.000 0.219 7 A C 2.374 179.982 177.584 0.041 0.000 1.191 7 A CA 2.163 54.232 52.037 0.054 0.000 0.638 7 A CB -1.569 17.426 19.000 -0.008 0.000 0.823 7 A HN 0.491 nan 8.150 nan 0.000 0.451 8 G N -2.682 106.046 108.800 -0.119 0.000 2.708 8 G HA2 0.064 4.017 3.960 -0.011 0.000 0.210 8 G HA3 0.064 4.017 3.960 -0.011 0.000 0.210 8 G C 0.767 175.365 174.900 -0.503 0.000 1.141 8 G CA 0.557 45.438 45.100 -0.365 0.000 0.788 8 G HN 0.471 nan 8.290 nan 0.000 0.531 9 F N -1.007 118.891 119.950 -0.087 0.000 2.639 9 F HA 0.450 4.971 4.527 -0.010 0.000 0.302 9 F C -0.198 175.479 175.800 -0.205 0.000 1.097 9 F CA -0.783 57.120 58.000 -0.162 0.000 1.294 9 F CB 0.451 39.318 39.000 -0.222 0.000 1.027 9 F HN -0.078 nan 8.300 nan 0.000 0.550 10 Y N 0.299 120.615 120.300 0.027 0.000 2.524 10 Y HA 0.761 5.305 4.550 -0.011 0.000 0.344 10 Y C -0.046 175.827 175.900 -0.044 0.000 1.012 10 Y CA -1.607 56.500 58.100 0.012 0.000 1.068 10 Y CB 1.833 40.315 38.460 0.037 0.000 1.249 10 Y HN -0.134 nan 8.280 nan 0.000 0.468 11 A N 1.988 124.860 122.820 0.087 0.000 2.604 11 A HA 0.764 5.078 4.320 -0.011 0.000 0.295 11 A C -1.654 175.927 177.584 -0.005 0.000 1.067 11 A CA -1.185 50.849 52.037 -0.004 0.000 0.683 11 A CB 1.374 20.314 19.000 -0.100 0.000 1.281 11 A HN 0.616 nan 8.150 nan 0.000 0.407 12 K N 0.611 120.999 120.400 -0.019 0.000 2.174 12 K HA 0.500 4.814 4.320 -0.011 0.000 0.275 12 K C 1.100 177.670 176.600 -0.051 0.000 1.015 12 K CA -0.550 55.725 56.287 -0.019 0.000 0.933 12 K CB 1.041 33.535 32.500 -0.011 0.000 1.025 12 K HN 0.679 nan 8.250 nan 0.000 0.463 13 R N 2.025 122.497 120.500 -0.046 0.000 2.162 13 R HA -0.324 4.009 4.340 -0.011 0.000 0.245 13 R C 1.824 178.095 176.300 -0.049 0.000 1.129 13 R CA 2.512 58.579 56.100 -0.055 0.000 0.940 13 R CB -0.692 29.590 30.300 -0.030 0.000 0.875 13 R HN 0.868 nan 8.270 nan 0.000 0.437 14 A N 0.465 123.267 122.820 -0.030 0.000 2.009 14 A HA -0.254 4.060 4.320 -0.011 0.000 0.222 14 A C 1.519 179.087 177.584 -0.027 0.000 1.175 14 A CA 2.273 54.297 52.037 -0.022 0.000 0.651 14 A CB -0.572 18.419 19.000 -0.015 0.000 0.815 14 A HN 0.413 nan 8.150 nan 0.000 0.459 15 D N -0.974 119.402 120.400 -0.040 0.000 2.323 15 D HA 0.150 4.784 4.640 -0.011 0.000 0.209 15 D C 0.427 176.697 176.300 -0.050 0.000 0.973 15 D CA 0.370 54.345 54.000 -0.042 0.000 0.874 15 D CB 0.060 40.832 40.800 -0.047 0.000 0.930 15 D HN 0.409 nan 8.370 nan 0.000 0.521 16 L N 1.075 122.252 121.223 -0.076 0.000 2.322 16 L HA 0.226 4.560 4.340 -0.011 0.000 0.279 16 L C 0.362 177.232 176.870 -0.001 0.000 1.036 16 L CA -0.917 53.874 54.840 -0.081 0.000 0.807 16 L CB 1.656 43.543 42.059 -0.286 0.000 1.226 16 L HN -0.281 nan 8.230 nan 0.000 0.433 17 D N 2.872 123.315 120.400 0.072 0.000 2.398 17 D HA 0.056 4.689 4.640 -0.011 0.000 0.250 17 D C 1.028 177.430 176.300 0.170 0.000 1.287 17 D CA 0.213 54.269 54.000 0.093 0.000 0.992 17 D CB 0.762 41.609 40.800 0.078 0.000 1.071 17 D HN 0.454 nan 8.370 nan 0.000 0.514 18 L N 2.506 123.799 121.223 0.117 0.000 2.447 18 L HA -0.151 4.182 4.340 -0.011 0.000 0.225 18 L C 1.341 178.340 176.870 0.215 0.000 1.148 18 L CA 0.628 55.558 54.840 0.149 0.000 0.808 18 L CB -0.009 42.092 42.059 0.070 0.000 0.928 18 L HN 0.291 nan 8.230 nan 0.000 0.448 19 D N -0.085 120.420 120.400 0.176 0.000 2.348 19 D HA -0.095 4.539 4.640 -0.011 0.000 0.216 19 D C 1.351 177.781 176.300 0.216 0.000 0.970 19 D CA 0.697 54.808 54.000 0.185 0.000 0.889 19 D CB 0.016 40.898 40.800 0.136 0.000 0.912 19 D HN 0.340 nan 8.370 nan 0.000 0.524 20 N N -0.512 118.233 118.700 0.075 0.000 2.270 20 N HA -0.005 4.728 4.740 -0.011 0.000 0.198 20 N C -0.591 174.492 175.510 -0.712 0.000 1.117 20 N CA 0.077 52.885 53.050 -0.405 0.000 0.845 20 N CB 0.517 38.690 38.487 -0.523 0.000 0.980 20 N HN 0.221 nan 8.380 nan 0.000 0.486 21 Y N -0.152 120.140 120.300 -0.015 0.000 2.512 21 Y HA 0.516 5.059 4.550 -0.011 0.000 0.348 21 Y C -0.071 175.897 175.900 0.114 0.000 0.990 21 Y CA -0.815 57.301 58.100 0.027 0.000 1.033 21 Y CB 1.925 40.383 38.460 -0.004 0.000 1.259 21 Y HN -0.244 nan 8.280 nan 0.000 0.461 22 I N 2.547 123.263 120.570 0.243 0.000 2.359 22 I HA 0.251 4.415 4.170 -0.011 0.000 0.294 22 I C -0.337 175.822 176.117 0.071 0.000 0.987 22 I CA -0.531 60.820 61.300 0.085 0.000 1.225 22 I CB 1.232 39.252 38.000 0.032 0.000 1.366 22 I HN 0.567 nan 8.210 nan 0.000 0.466 23 E N 6.634 126.810 120.200 -0.041 0.000 2.266 23 E HA 0.579 4.923 4.350 -0.011 0.000 0.277 23 E C -1.191 175.331 176.600 -0.131 0.000 1.018 23 E CA -0.565 55.805 56.400 -0.050 0.000 0.840 23 E CB 1.778 31.442 29.700 -0.060 0.000 1.082 23 E HN 0.376 nan 8.360 nan 0.000 0.395 24 L N 2.416 123.579 121.223 -0.100 0.000 2.408 24 L HA 0.395 4.728 4.340 -0.011 0.000 0.268 24 L C -0.858 175.857 176.870 -0.258 0.000 0.986 24 L CA -0.908 53.789 54.840 -0.239 0.000 0.820 24 L CB 2.032 43.967 42.059 -0.207 0.000 1.303 24 L HN 0.337 nan 8.230 nan 0.000 0.411 25 D N 3.063 123.231 120.400 -0.386 0.000 2.414 25 D HA 0.446 5.079 4.640 -0.011 0.000 0.232 25 D C -0.959 175.133 176.300 -0.347 0.000 1.070 25 D CA 0.016 53.870 54.000 -0.242 0.000 0.839 25 D CB 1.692 42.406 40.800 -0.143 0.000 1.079 25 D HN 0.101 nan 8.370 nan 0.000 0.521 26 F N 0.940 120.916 119.950 0.043 0.000 2.469 26 F HA 0.262 4.782 4.527 -0.012 0.000 0.332 26 F C 0.495 176.369 175.800 0.123 0.000 1.103 26 F CA -0.854 57.197 58.000 0.084 0.000 0.979 26 F CB 1.640 40.708 39.000 0.112 0.000 1.137 26 F HN -0.011 nan 8.300 nan 0.000 0.463 27 D N 3.327 123.910 120.400 0.304 0.000 2.256 27 D HA 0.512 5.146 4.640 -0.011 0.000 0.240 27 D C -0.810 175.659 176.300 0.282 0.000 1.062 27 D CA -0.002 54.106 54.000 0.179 0.000 0.832 27 D CB 1.337 42.204 40.800 0.112 0.000 1.135 27 D HN 0.307 nan 8.370 nan 0.000 0.484 28 F N -1.281 118.734 119.950 0.107 0.000 2.715 28 F HA 0.674 5.194 4.527 -0.012 0.000 0.318 28 F C -1.017 174.862 175.800 0.132 0.000 1.141 28 F CA -1.166 56.895 58.000 0.102 0.000 0.950 28 F CB 1.450 40.474 39.000 0.039 0.000 1.374 28 F HN 0.000 nan 8.300 nan 0.000 0.477 29 E N 1.116 121.595 120.200 0.466 0.000 2.210 29 E HA 0.598 4.942 4.350 -0.011 0.000 0.266 29 E C -1.373 175.614 176.600 0.645 0.000 0.883 29 E CA -0.952 55.710 56.400 0.437 0.000 0.761 29 E CB 2.218 32.210 29.700 0.486 0.000 1.156 29 E HN 0.944 nan 8.360 nan 0.000 0.412 30 C N 0.155 119.777 119.300 0.537 0.000 3.080 30 C HA 0.941 5.395 4.460 -0.011 0.000 0.307 30 C C -0.177 175.026 174.990 0.354 0.000 1.311 30 C CA -0.857 58.456 59.018 0.491 0.000 1.533 30 C CB 0.619 28.639 27.740 0.468 0.000 1.970 30 C HN 0.825 nan 8.230 nan 0.000 0.467 31 A N 1.562 124.577 122.820 0.325 0.000 2.312 31 A HA 0.900 5.213 4.320 -0.011 0.000 0.326 31 A C 0.820 178.520 177.584 0.193 0.000 1.172 31 A CA 0.804 52.971 52.037 0.216 0.000 0.821 31 A CB -0.005 19.134 19.000 0.230 0.000 1.166 31 A HN 3.130 nan 8.150 nan 0.000 0.493 32 G N 1.131 110.043 108.800 0.188 0.000 2.645 32 G HA2 -0.098 3.856 3.960 -0.011 0.000 0.239 32 G HA3 -0.098 3.856 3.960 -0.011 0.000 0.239 32 G C -0.187 174.806 174.900 0.156 0.000 1.331 32 G CA 0.136 45.337 45.100 0.168 0.000 0.890 32 G HN 1.201 nan 8.290 nan 0.000 0.572 33 D N 1.550 122.013 120.400 0.105 0.000 2.520 33 D HA 0.219 4.852 4.640 -0.011 0.000 0.243 33 D C 0.096 176.425 176.300 0.048 0.000 1.160 33 D CA -0.763 53.268 54.000 0.052 0.000 0.877 33 D CB 1.029 41.885 40.800 0.094 0.000 1.150 33 D HN 0.147 nan 8.370 nan 0.000 0.494 34 P HA -0.137 nan 4.420 nan 0.000 0.226 34 P C 1.004 178.332 177.300 0.046 0.000 1.153 34 P CA 1.004 64.094 63.100 -0.017 0.000 0.777 34 P CB 0.268 31.837 31.700 -0.218 0.000 0.794 35 H N 0.436 119.548 119.070 0.070 0.000 2.343 35 H HA 0.031 4.581 4.556 -0.010 0.000 0.303 35 H C 1.998 177.439 175.328 0.189 0.000 1.068 35 H CA 1.020 57.157 56.048 0.148 0.000 1.359 35 H CB -0.014 29.770 29.762 0.038 0.000 1.402 35 H HN 0.246 nan 8.280 nan 0.000 0.515 36 E N 0.718 121.068 120.200 0.250 0.000 2.097 36 E HA -0.166 4.178 4.350 -0.011 0.000 0.196 36 E C 2.373 179.101 176.600 0.214 0.000 1.000 36 E CA 0.870 57.392 56.400 0.203 0.000 0.804 36 E CB -0.014 29.809 29.700 0.207 0.000 0.740 36 E HN 0.364 nan 8.360 nan 0.000 0.454 37 A N 1.459 124.394 122.820 0.191 0.000 1.883 37 A HA -0.152 4.162 4.320 -0.011 0.000 0.217 37 A C 2.395 179.968 177.584 -0.019 0.000 1.186 37 A CA 1.942 54.047 52.037 0.113 0.000 0.624 37 A CB -0.602 18.488 19.000 0.152 0.000 0.822 37 A HN 0.309 nan 8.150 nan 0.000 0.444 38 A N -0.317 122.525 122.820 0.037 0.000 1.898 38 A HA 0.210 4.523 4.320 -0.011 0.000 0.216 38 A C 2.507 179.984 177.584 -0.178 0.000 1.181 38 A CA 1.989 53.989 52.037 -0.063 0.000 0.620 38 A CB -0.996 18.030 19.000 0.044 0.000 0.819 38 A HN 1.042 nan 8.150 nan 0.000 0.442 39 A N -0.804 121.952 122.820 -0.107 0.000 1.877 39 A HA -0.200 4.113 4.320 -0.011 0.000 0.216 39 A C 1.929 179.213 177.584 -0.502 0.000 1.186 39 A CA 1.911 53.778 52.037 -0.282 0.000 0.620 39 A CB -1.015 17.950 19.000 -0.059 0.000 0.822 39 A HN 0.695 nan 8.150 nan 0.000 0.443 40 H N -1.527 117.366 119.070 -0.295 0.000 2.422 40 H HA -0.122 4.427 4.556 -0.010 0.000 0.298 40 H C 1.875 177.017 175.328 -0.310 0.000 1.098 40 H CA 1.592 57.480 56.048 -0.268 0.000 1.315 40 H CB 0.012 29.684 29.762 -0.151 0.000 1.382 40 H HN 0.418 nan 8.280 nan 0.000 0.523 41 L N -0.438 120.653 121.223 -0.220 0.000 2.179 41 L HA -0.077 4.256 4.340 -0.011 0.000 0.208 41 L C 1.882 178.584 176.870 -0.279 0.000 1.096 41 L CA 1.185 55.840 54.840 -0.308 0.000 0.779 41 L CB -0.451 41.322 42.059 -0.476 0.000 0.922 41 L HN 0.335 nan 8.230 nan 0.000 0.443 42 C N -1.585 117.530 119.300 -0.308 0.000 2.466 42 C HA -0.060 4.393 4.460 -0.011 0.000 0.278 42 C C 3.033 177.892 174.990 -0.219 0.000 1.288 42 C CA 0.918 59.801 59.018 -0.225 0.000 1.722 42 C CB -0.771 26.854 27.740 -0.192 0.000 2.017 42 C HN 0.681 nan 8.230 nan 0.000 0.488 43 S N 0.695 116.082 115.700 -0.521 0.000 2.365 43 S HA -0.197 4.267 4.470 -0.011 0.000 0.221 43 S C 1.898 176.495 174.600 -0.005 0.000 1.037 43 S CA 1.781 59.786 58.200 -0.325 0.000 1.060 43 S CB -0.303 62.631 63.200 -0.444 0.000 0.974 43 S HN 0.560 nan 8.310 nan 0.000 0.427 44 E N 0.861 121.047 120.200 -0.024 0.000 2.130 44 E HA -0.184 4.159 4.350 -0.011 0.000 0.196 44 E C 2.058 178.694 176.600 0.060 0.000 0.998 44 E CA 1.016 57.439 56.400 0.038 0.000 0.806 44 E CB -0.562 29.146 29.700 0.012 0.000 0.738 44 E HN 0.700 nan 8.360 nan 0.000 0.459 45 Q N 0.164 119.985 119.800 0.036 0.000 2.369 45 Q HA -0.071 4.263 4.340 -0.011 0.000 0.206 45 Q C 1.067 177.196 176.000 0.214 0.000 0.963 45 Q CA 1.120 56.993 55.803 0.118 0.000 0.894 45 Q CB 0.314 29.108 28.738 0.094 0.000 0.965 45 Q HN 0.309 nan 8.270 nan 0.000 0.475 46 S N -2.362 113.428 115.700 0.150 0.000 3.962 46 S HA 0.055 4.518 4.470 -0.011 0.000 0.175 46 S C 1.595 176.322 174.600 0.213 0.000 1.091 46 S CA 0.267 58.569 58.200 0.169 0.000 1.174 46 S CB -0.316 62.905 63.200 0.035 0.000 1.845 46 S HN 0.317 nan 8.310 nan 0.000 0.835 47 T N 0.578 115.306 114.554 0.290 0.000 2.564 47 T HA 0.286 4.630 4.350 -0.011 0.000 0.259 47 T C 1.862 176.802 174.700 0.401 0.000 1.087 47 T CA 2.572 64.904 62.100 0.387 0.000 1.184 47 T CB -1.490 67.699 68.868 0.535 0.000 0.864 47 T HN 1.973 nan 8.240 nan 0.000 0.403 48 A N 0.283 123.418 122.820 0.525 0.000 4.152 48 A HA -0.229 4.085 4.320 -0.011 0.000 0.256 48 A C 0.764 178.558 177.584 0.350 0.000 0.844 48 A CA 1.739 54.023 52.037 0.413 0.000 1.324 48 A CB -2.002 17.125 19.000 0.211 0.000 1.032 48 A HN 0.933 nan 8.150 nan 0.000 0.773 49 Q N -1.959 118.061 119.800 0.366 0.000 2.371 49 Q HA 0.480 4.814 4.340 -0.011 0.000 0.244 49 Q C -0.210 175.918 176.000 0.213 0.000 0.882 49 Q CA 0.044 55.851 55.803 0.006 0.000 0.866 49 Q CB 0.660 29.390 28.738 -0.013 0.000 1.399 49 Q HN 0.939 nan 8.270 nan 0.000 0.432 50 W N 3.112 124.436 121.300 0.040 0.000 2.940 50 W HA 0.401 5.055 4.660 -0.011 0.000 0.297 50 W C 0.123 176.247 176.519 -0.657 0.000 1.149 50 W CA -0.452 56.789 57.345 -0.172 0.000 1.564 50 W CB 0.473 29.863 29.460 -0.118 0.000 1.010 50 W HN 0.191 nan 8.180 nan 0.000 0.578 51 R N 1.493 121.693 120.500 -0.500 0.000 2.705 51 R HA 0.664 4.997 4.340 -0.011 0.000 0.246 51 R C -0.377 175.788 176.300 -0.225 0.000 1.142 51 R CA -1.057 54.816 56.100 -0.378 0.000 1.114 51 R CB 0.686 30.853 30.300 -0.221 0.000 1.256 51 R HN -0.060 nan 8.270 nan 0.000 0.536 52 R N -0.501 119.912 120.500 -0.146 0.000 2.700 52 R HA 0.179 4.513 4.340 -0.011 0.000 0.253 52 R C 1.423 177.778 176.300 0.093 0.000 1.091 52 R CA -0.368 55.682 56.100 -0.082 0.000 1.104 52 R CB 0.769 30.857 30.300 -0.354 0.000 1.202 52 R HN 0.405 nan 8.270 nan 0.000 0.532 53 V N 0.751 120.732 119.914 0.112 0.000 2.316 53 V HA -0.326 3.787 4.120 -0.011 0.000 0.247 53 V C 0.829 177.003 176.094 0.132 0.000 1.028 53 V CA 2.707 65.082 62.300 0.124 0.000 1.105 53 V CB -0.422 31.487 31.823 0.143 0.000 0.781 53 V HN 0.966 nan 8.190 nan 0.000 0.494 54 G N -1.103 107.822 108.800 0.208 0.000 4.956 54 G HA2 0.531 4.485 3.960 -0.011 0.000 0.290 54 G HA3 0.531 4.485 3.960 -0.011 0.000 0.290 54 G C -0.977 173.891 174.900 -0.054 0.000 1.352 54 G CA -0.304 44.819 45.100 0.038 0.000 0.983 54 G HN 0.301 nan 8.290 nan 0.000 0.581 55 F N 0.893 120.818 119.950 -0.042 0.000 2.495 55 F HA 0.356 4.876 4.527 -0.011 0.000 0.327 55 F C -0.354 175.416 175.800 -0.049 0.000 1.103 55 F CA -1.703 56.276 58.000 -0.034 0.000 0.949 55 F CB 2.053 41.037 39.000 -0.026 0.000 1.142 55 F HN 0.201 nan 8.300 nan 0.000 0.457 56 D N 0.666 121.140 120.400 0.123 0.000 2.352 56 D HA 0.257 4.891 4.640 -0.011 0.000 0.245 56 D C 0.177 176.527 176.300 0.084 0.000 1.224 56 D CA -0.162 53.882 54.000 0.073 0.000 0.879 56 D CB 1.480 42.305 40.800 0.042 0.000 1.057 56 D HN 0.715 nan 8.370 nan 0.000 0.491 57 E N 0.964 121.176 120.200 0.021 0.000 3.100 57 E HA -0.005 4.339 4.350 -0.011 0.000 0.191 57 E C -0.566 175.973 176.600 -0.102 0.000 1.097 57 E CA -0.338 56.033 56.400 -0.048 0.000 1.339 57 E CB 0.431 30.005 29.700 -0.210 0.000 1.330 57 E HN 0.387 nan 8.360 nan 0.000 0.511 58 D N 0.674 120.976 120.400 -0.163 0.000 3.478 58 D HA -0.217 4.416 4.640 -0.011 0.000 0.219 58 D C -0.741 175.522 176.300 -0.062 0.000 1.143 58 D CA 0.524 54.487 54.000 -0.062 0.000 1.047 58 D CB -0.902 39.914 40.800 0.026 0.000 0.820 58 D HN 0.319 nan 8.370 nan 0.000 0.393 59 F N 1.174 121.252 119.950 0.215 0.000 2.898 59 F HA 0.416 4.936 4.527 -0.011 0.000 0.290 59 F C 1.830 177.768 175.800 0.230 0.000 1.195 59 F CA -1.026 57.121 58.000 0.244 0.000 1.387 59 F CB 0.028 39.233 39.000 0.342 0.000 0.976 59 F HN 0.038 nan 8.300 nan 0.000 0.510 60 R N 1.418 122.009 120.500 0.152 0.000 2.073 60 R HA 0.029 4.362 4.340 -0.011 0.000 0.229 60 R C -0.654 175.596 176.300 -0.083 0.000 1.120 60 R CA 1.145 57.180 56.100 -0.107 0.000 0.967 60 R CB -1.118 28.837 30.300 -0.576 0.000 0.862 60 R HN 0.233 nan 8.270 nan 0.000 0.436 61 P HA -0.135 nan 4.420 nan 0.000 0.220 61 P C 0.630 177.890 177.300 -0.066 0.000 1.148 61 P CA 1.229 64.291 63.100 -0.064 0.000 0.803 61 P CB 0.063 31.734 31.700 -0.049 0.000 0.782 62 R N -2.041 118.388 120.500 -0.118 0.000 2.206 62 R HA 0.167 4.501 4.340 -0.011 0.000 0.198 62 R C 1.003 176.917 176.300 -0.644 0.000 0.986 62 R CA 0.673 56.516 56.100 -0.427 0.000 1.029 62 R CB 0.099 30.021 30.300 -0.630 0.000 0.966 62 R HN 0.163 nan 8.270 nan 0.000 0.487 63 F N -0.634 119.316 119.950 0.001 0.000 2.767 63 F HA 0.435 4.956 4.527 -0.011 0.000 0.323 63 F C 0.338 176.137 175.800 -0.003 0.000 1.091 63 F CA -0.552 57.441 58.000 -0.012 0.000 1.192 63 F CB 0.960 39.974 39.000 0.023 0.000 1.056 63 F HN -0.092 nan 8.300 nan 0.000 0.571 64 A N 1.215 124.114 122.820 0.132 0.000 2.290 64 A HA 0.771 5.085 4.320 -0.011 0.000 0.310 64 A C 0.181 177.791 177.584 0.044 0.000 1.202 64 A CA -0.445 51.646 52.037 0.089 0.000 0.837 64 A CB 0.237 19.217 19.000 -0.034 0.000 1.139 64 A HN 0.163 nan 8.150 nan 0.000 0.509 65 A N 2.755 125.548 122.820 -0.044 0.000 2.498 65 A HA 0.488 4.802 4.320 -0.011 0.000 0.239 65 A C 0.300 177.917 177.584 0.055 0.000 1.068 65 A CA 0.363 52.364 52.037 -0.059 0.000 0.766 65 A CB 0.007 18.878 19.000 -0.214 0.000 1.003 65 A HN 0.754 nan 8.150 nan 0.000 0.497 66 K N 1.383 121.785 120.400 0.005 0.000 2.468 66 K HA 0.453 4.766 4.320 -0.011 0.000 0.252 66 K C -1.356 175.168 176.600 -0.128 0.000 0.932 66 K CA -0.821 55.428 56.287 -0.064 0.000 0.794 66 K CB 2.402 34.833 32.500 -0.115 0.000 1.241 66 K HN 0.402 nan 8.250 nan 0.000 0.428 67 V N 5.218 124.977 119.914 -0.259 0.000 2.446 67 V HA 0.003 4.116 4.120 -0.011 0.000 0.276 67 V C 1.370 177.394 176.094 -0.117 0.000 1.030 67 V CA 0.242 62.368 62.300 -0.290 0.000 1.033 67 V CB 0.077 31.453 31.823 -0.744 0.000 0.993 67 V HN 0.756 nan 8.190 nan 0.000 0.477 68 L N 3.011 124.200 121.223 -0.056 0.000 2.162 68 L HA 0.262 4.596 4.340 -0.011 0.000 0.205 68 L C 1.069 177.959 176.870 0.034 0.000 1.086 68 L CA 0.984 55.812 54.840 -0.020 0.000 0.778 68 L CB 0.199 42.234 42.059 -0.040 0.000 0.928 68 L HN 0.739 nan 8.230 nan 0.000 0.446 69 E N 0.253 120.477 120.200 0.040 0.000 2.347 69 E HA 0.403 4.746 4.350 -0.011 0.000 0.285 69 E C -1.948 174.687 176.600 0.059 0.000 0.925 69 E CA -0.548 55.886 56.400 0.057 0.000 0.779 69 E CB 2.387 32.105 29.700 0.030 0.000 1.233 69 E HN -0.084 nan 8.360 nan 0.000 0.414 70 L N 2.587 123.850 121.223 0.066 0.000 2.434 70 L HA 0.737 5.071 4.340 -0.011 0.000 0.260 70 L C -1.816 175.049 176.870 -0.008 0.000 0.983 70 L CA -0.211 54.645 54.840 0.026 0.000 0.820 70 L CB 2.337 44.406 42.059 0.015 0.000 1.361 70 L HN 0.410 nan 8.230 nan 0.000 0.410 71 S N 3.055 118.728 115.700 -0.045 0.000 2.614 71 S HA 0.946 5.409 4.470 -0.011 0.000 0.275 71 S C -1.549 173.000 174.600 -0.085 0.000 1.161 71 S CA 0.196 58.370 58.200 -0.043 0.000 0.969 71 S CB 1.250 64.434 63.200 -0.028 0.000 1.059 71 S HN 1.317 nan 8.310 nan 0.000 0.482 72 A N 4.165 126.950 122.820 -0.058 0.000 2.456 72 A HA 0.709 5.023 4.320 -0.011 0.000 0.288 72 A C -1.015 176.590 177.584 0.036 0.000 1.042 72 A CA -0.770 51.236 52.037 -0.052 0.000 0.738 72 A CB 1.161 20.100 19.000 -0.101 0.000 1.266 72 A HN 0.797 nan 8.150 nan 0.000 0.407 73 E N 3.305 123.534 120.200 0.048 0.000 2.238 73 E HA 0.668 5.011 4.350 -0.011 0.000 0.267 73 E C -2.918 173.715 176.600 0.054 0.000 0.887 73 E CA -2.173 54.262 56.400 0.059 0.000 0.769 73 E CB 2.565 32.272 29.700 0.011 0.000 1.187 73 E HN 0.370 nan 8.360 nan 0.000 0.416 74 P HA 0.114 nan 4.420 nan 0.000 0.274 74 P C -0.944 176.266 177.300 -0.150 0.000 1.231 74 P CA -0.416 62.580 63.100 -0.174 0.000 0.790 74 P CB 0.445 32.053 31.700 -0.154 0.000 0.951 75 R N 1.873 122.245 120.500 -0.212 0.000 2.521 75 R HA 0.387 4.720 4.340 -0.011 0.000 0.295 75 R C -2.250 173.946 176.300 -0.172 0.000 1.183 75 R CA -1.686 54.322 56.100 -0.153 0.000 0.957 75 R CB 0.907 31.136 30.300 -0.118 0.000 1.171 75 R HN 0.163 nan 8.270 nan 0.000 0.494 76 P HA -0.193 nan 4.420 nan 0.000 0.223 76 P C 1.098 178.337 177.300 -0.103 0.000 1.151 76 P CA 1.073 64.102 63.100 -0.117 0.000 0.787 76 P CB 0.419 32.071 31.700 -0.081 0.000 0.788 77 S N -0.857 114.789 115.700 -0.090 0.000 2.442 77 S HA 0.140 4.604 4.470 -0.011 0.000 0.236 77 S C 1.235 175.784 174.600 -0.084 0.000 1.007 77 S CA 1.169 59.328 58.200 -0.067 0.000 0.965 77 S CB -1.102 62.072 63.200 -0.044 0.000 0.773 77 S HN 0.468 nan 8.310 nan 0.000 0.504 78 G N 0.014 108.719 108.800 -0.159 0.000 2.512 78 G HA2 -0.105 3.849 3.960 -0.011 0.000 0.210 78 G HA3 -0.105 3.849 3.960 -0.011 0.000 0.210 78 G C -0.460 174.279 174.900 -0.268 0.000 1.295 78 G CA -0.454 44.495 45.100 -0.251 0.000 0.934 78 G HN 0.416 nan 8.290 nan 0.000 0.554 79 F N 1.258 121.215 119.950 0.011 0.000 2.450 79 F HA 0.433 4.954 4.527 -0.010 0.000 0.339 79 F C 2.150 177.960 175.800 0.016 0.000 1.146 79 F CA 0.427 58.440 58.000 0.022 0.000 1.267 79 F CB 1.251 40.268 39.000 0.028 0.000 1.178 79 F HN 0.455 nan 8.300 nan 0.000 0.585 80 S N 0.441 116.278 115.700 0.229 0.000 2.354 80 S HA -0.101 4.363 4.470 -0.011 0.000 0.219 80 S C 0.580 175.240 174.600 0.100 0.000 1.035 80 S CA 0.814 59.090 58.200 0.127 0.000 1.037 80 S CB -0.315 62.955 63.200 0.118 0.000 0.956 80 S HN 0.296 nan 8.310 nan 0.000 0.428 81 V N 3.899 123.869 119.914 0.094 0.000 2.716 81 V HA 0.333 4.446 4.120 -0.011 0.000 0.304 81 V C -2.286 173.840 176.094 0.054 0.000 1.053 81 V CA -2.283 60.044 62.300 0.045 0.000 0.984 81 V CB 0.678 32.498 31.823 -0.003 0.000 1.021 81 V HN 0.231 nan 8.190 nan 0.000 0.467 82 P HA 0.265 nan 4.420 nan 0.000 0.267 82 P C -0.579 176.707 177.300 -0.024 0.000 1.205 82 P CA 0.320 63.438 63.100 0.031 0.000 0.765 82 P CB 1.218 32.929 31.700 0.018 0.000 0.828 83 V N 2.507 122.395 119.914 -0.043 0.000 5.071 83 V HA 0.540 4.653 4.120 -0.011 0.000 0.300 83 V C -0.190 175.856 176.094 -0.079 0.000 1.520 83 V CA -0.708 61.521 62.300 -0.117 0.000 0.822 83 V CB 0.944 32.618 31.823 -0.249 0.000 1.318 83 V HN 0.670 nan 8.190 nan 0.000 0.446 84 E N -0.782 119.351 120.200 -0.113 0.000 2.354 84 E HA 0.649 4.992 4.350 -0.011 0.000 0.283 84 E C -1.633 174.925 176.600 -0.069 0.000 0.938 84 E CA -0.495 55.873 56.400 -0.052 0.000 0.777 84 E CB 1.724 31.407 29.700 -0.028 0.000 1.222 84 E HN 0.564 nan 8.360 nan 0.000 0.423 85 C N 1.614 120.907 119.300 -0.011 0.000 2.898 85 C HA 0.759 5.212 4.460 -0.011 0.000 0.304 85 C C 0.976 175.989 174.990 0.038 0.000 1.237 85 C CA 0.006 59.025 59.018 0.002 0.000 1.529 85 C CB 1.246 29.009 27.740 0.040 0.000 2.021 85 C HN 1.012 nan 8.230 nan 0.000 0.474 86 A N 2.125 124.964 122.820 0.030 0.000 2.261 86 A HA 0.578 4.891 4.320 -0.011 0.000 0.208 86 A C 0.654 178.267 177.584 0.047 0.000 1.223 86 A CA 1.047 53.104 52.037 0.032 0.000 0.833 86 A CB -0.438 18.571 19.000 0.015 0.000 0.830 86 A HN 1.525 nan 8.150 nan 0.000 0.483 87 A N -1.032 121.836 122.820 0.080 0.000 2.594 87 A HA 0.807 5.121 4.320 -0.011 0.000 0.291 87 A C -0.086 177.562 177.584 0.107 0.000 1.105 87 A CA -0.782 51.309 52.037 0.091 0.000 0.694 87 A CB 1.097 20.158 19.000 0.101 0.000 1.291 87 A HN 0.324 nan 8.150 nan 0.000 0.410 88 R N -0.810 119.740 120.500 0.084 0.000 3.307 88 R HA 0.786 5.119 4.340 -0.011 0.000 0.227 88 R C 0.718 177.052 176.300 0.056 0.000 1.645 88 R CA 0.039 56.180 56.100 0.068 0.000 1.015 88 R CB 0.962 31.292 30.300 0.050 0.000 1.832 88 R HN 2.122 nan 8.270 nan 0.000 0.533 89 G N 0.909 109.729 108.800 0.034 0.000 2.598 89 G HA2 -0.206 3.747 3.960 -0.011 0.000 0.244 89 G HA3 -0.206 3.747 3.960 -0.011 0.000 0.244 89 G C -2.272 172.623 174.900 -0.009 0.000 1.302 89 G CA -0.548 44.566 45.100 0.024 0.000 0.903 89 G HN 0.505 nan 8.290 nan 0.000 0.575 90 P HA 0.520 nan 4.420 nan 0.000 0.272 90 P C -0.453 176.762 177.300 -0.141 0.000 1.230 90 P CA -0.216 62.822 63.100 -0.104 0.000 0.788 90 P CB 1.151 32.795 31.700 -0.092 0.000 0.949 91 V N 2.372 122.104 119.914 -0.303 0.000 2.448 91 V HA 0.293 4.407 4.120 -0.011 0.000 0.295 91 V C -0.185 175.682 176.094 -0.378 0.000 1.025 91 V CA -0.494 61.604 62.300 -0.337 0.000 0.859 91 V CB 0.971 32.430 31.823 -0.606 0.000 0.988 91 V HN 0.600 nan 8.190 nan 0.000 0.431 92 H N 1.809 120.828 119.070 -0.085 0.000 2.573 92 H HA 0.808 5.358 4.556 -0.011 0.000 0.351 92 H C 0.068 175.350 175.328 -0.077 0.000 1.163 92 H CA -0.176 55.834 56.048 -0.063 0.000 1.205 92 H CB 1.781 31.525 29.762 -0.030 0.000 1.605 92 H HN 0.859 nan 8.280 nan 0.000 0.525 93 A N 1.783 124.610 122.820 0.012 0.000 2.288 93 A HA 0.591 4.905 4.320 -0.011 0.000 0.320 93 A C -0.688 176.791 177.584 -0.175 0.000 1.217 93 A CA -0.435 51.562 52.037 -0.066 0.000 0.840 93 A CB 0.013 18.991 19.000 -0.037 0.000 1.179 93 A HN 0.761 nan 8.150 nan 0.000 0.504 94 C N 1.116 120.168 119.300 -0.413 0.000 2.779 94 C HA 0.823 5.277 4.460 -0.011 0.000 0.314 94 C C 0.183 174.908 174.990 -0.442 0.000 1.231 94 C CA -0.891 57.781 59.018 -0.577 0.000 1.652 94 C CB 1.659 28.684 27.740 -1.191 0.000 2.198 94 C HN 0.932 nan 8.230 nan 0.000 0.483 95 R N 0.801 121.152 120.500 -0.249 0.000 2.532 95 R HA 0.765 5.098 4.340 -0.011 0.000 0.297 95 R C -1.715 174.585 176.300 0.001 0.000 0.984 95 R CA -0.242 55.810 56.100 -0.079 0.000 0.884 95 R CB 2.050 32.327 30.300 -0.038 0.000 1.182 95 R HN 0.628 nan 8.270 nan 0.000 0.442 96 V N 1.233 121.219 119.914 0.120 0.000 2.876 96 V HA 0.499 4.613 4.120 -0.011 0.000 0.312 96 V C -0.262 175.914 176.094 0.137 0.000 1.085 96 V CA -0.920 61.472 62.300 0.154 0.000 0.945 96 V CB 2.359 34.349 31.823 0.279 0.000 1.017 96 V HN 0.705 nan 8.190 nan 0.000 0.428 97 T N 4.811 119.412 114.554 0.078 0.000 2.772 97 T HA 0.703 5.046 4.350 -0.011 0.000 0.288 97 T C -0.389 174.341 174.700 0.051 0.000 0.994 97 T CA -0.038 62.090 62.100 0.047 0.000 0.951 97 T CB 0.745 69.618 68.868 0.007 0.000 0.933 97 T HN 0.425 nan 8.240 nan 0.000 0.447 98 I N 2.507 123.131 120.570 0.091 0.000 2.404 98 I HA 0.587 4.751 4.170 -0.011 0.000 0.293 98 I C 0.219 176.389 176.117 0.088 0.000 0.992 98 I CA -1.054 60.300 61.300 0.089 0.000 1.149 98 I CB 1.590 39.700 38.000 0.183 0.000 1.315 98 I HN 0.649 nan 8.210 nan 0.000 0.446 99 A N 5.402 128.249 122.820 0.044 0.000 2.252 99 A HA 0.389 4.702 4.320 -0.011 0.000 0.309 99 A C -0.824 176.942 177.584 0.303 0.000 1.285 99 A CA -0.187 51.904 52.037 0.091 0.000 0.900 99 A CB -0.166 18.727 19.000 -0.178 0.000 1.157 99 A HN 0.823 nan 8.150 nan 0.000 0.536 100 H N 4.425 123.672 119.070 0.295 0.000 2.504 100 H HA 0.444 4.994 4.556 -0.011 0.000 0.322 100 H C -2.447 172.974 175.328 0.155 0.000 1.055 100 H CA -2.070 54.144 56.048 0.276 0.000 1.231 100 H CB 1.559 31.474 29.762 0.255 0.000 1.417 100 H HN 0.408 nan 8.280 nan 0.000 0.472 101 P HA -0.000 nan 4.420 nan 0.000 0.269 101 P C -0.260 176.808 177.300 -0.387 0.000 1.252 101 P CA -0.029 62.751 63.100 -0.533 0.000 0.780 101 P CB 0.281 31.644 31.700 -0.563 0.000 0.829 102 H N 2.171 120.963 119.070 -0.463 0.000 2.529 102 H HA 0.059 4.609 4.556 -0.011 0.000 0.277 102 H C 1.967 176.876 175.328 -0.699 0.000 0.999 102 H CA 1.031 56.590 56.048 -0.815 0.000 1.256 102 H CB -1.137 28.225 29.762 -0.667 0.000 1.402 102 H HN 0.410 nan 8.280 nan 0.000 0.566 103 G N 0.561 109.054 108.800 -0.512 0.000 2.527 103 G HA2 -0.312 3.642 3.960 -0.011 0.000 0.219 103 G HA3 -0.312 3.642 3.960 -0.011 0.000 0.219 103 G C 1.333 176.141 174.900 -0.154 0.000 1.117 103 G CA 0.735 45.685 45.100 -0.251 0.000 0.759 103 G HN 0.616 nan 8.290 nan 0.000 0.556 104 N N -0.454 118.103 118.700 -0.240 0.000 2.244 104 N HA -0.043 4.690 4.740 -0.011 0.000 0.183 104 N C 1.550 177.098 175.510 0.064 0.000 1.016 104 N CA 1.421 54.463 53.050 -0.013 0.000 0.866 104 N CB -0.104 38.476 38.487 0.155 0.000 0.980 104 N HN 0.601 nan 8.380 nan 0.000 0.430 105 F N -1.888 118.167 119.950 0.175 0.000 2.834 105 F HA 0.501 5.022 4.527 -0.009 0.000 0.332 105 F C 1.067 176.967 175.800 0.168 0.000 1.056 105 F CA -0.180 57.913 58.000 0.154 0.000 1.178 105 F CB -0.208 38.876 39.000 0.140 0.000 1.037 105 F HN -0.106 nan 8.300 nan 0.000 0.580 106 G N 1.410 110.316 108.800 0.176 0.000 2.698 106 G HA2 0.048 4.002 3.960 -0.011 0.000 0.233 106 G HA3 0.048 4.002 3.960 -0.011 0.000 0.233 106 G C 0.103 175.250 174.900 0.412 0.000 1.352 106 G CA -0.294 44.953 45.100 0.245 0.000 0.879 106 G HN 1.127 nan 8.290 nan 0.000 0.567 107 A N 0.247 123.125 122.820 0.097 0.000 3.168 107 A HA 0.610 4.923 4.320 -0.011 0.000 0.260 107 A C 0.556 178.061 177.584 -0.132 0.000 1.598 107 A CA 0.656 52.568 52.037 -0.208 0.000 1.285 107 A CB -0.369 18.115 19.000 -0.861 0.000 1.149 107 A HN 0.617 nan 8.150 nan 0.000 0.630 108 K N 0.081 120.599 120.400 0.197 0.000 2.426 108 K HA 0.501 4.815 4.320 -0.011 0.000 0.254 108 K C 0.227 176.961 176.600 0.224 0.000 0.936 108 K CA -0.627 55.754 56.287 0.155 0.000 0.801 108 K CB 1.866 34.434 32.500 0.114 0.000 1.139 108 K HN 0.196 nan 8.250 nan 0.000 0.424 109 I N 3.658 124.350 120.570 0.203 0.000 2.127 109 I HA -0.194 3.969 4.170 -0.011 0.000 0.241 109 I C -1.012 175.138 176.117 0.056 0.000 1.075 109 I CA 1.390 62.772 61.300 0.137 0.000 1.334 109 I CB -0.504 37.559 38.000 0.106 0.000 1.040 109 I HN 0.637 nan 8.210 nan 0.000 0.405 110 P HA -0.142 nan 4.420 nan 0.000 0.215 110 P C 0.982 178.276 177.300 -0.010 0.000 1.157 110 P CA 1.695 64.804 63.100 0.015 0.000 0.874 110 P CB -0.222 31.491 31.700 0.022 0.000 0.790 111 N N -0.956 117.751 118.700 0.012 0.000 2.244 111 N HA -0.123 4.611 4.740 -0.011 0.000 0.183 111 N C 1.540 176.883 175.510 -0.278 0.000 1.016 111 N CA 0.514 53.555 53.050 -0.015 0.000 0.866 111 N CB -0.935 37.633 38.487 0.134 0.000 0.980 111 N HN 0.040 nan 8.380 nan 0.000 0.430 112 L N 1.036 122.052 121.223 -0.345 0.000 1.955 112 L HA -0.094 4.240 4.340 -0.011 0.000 0.213 112 L C 1.719 178.317 176.870 -0.454 0.000 1.072 112 L CA 1.554 55.970 54.840 -0.706 0.000 0.755 112 L CB -0.884 41.062 42.059 -0.190 0.000 0.888 112 L HN 0.175 nan 8.230 nan 0.000 0.432 113 L N -0.227 120.880 121.223 -0.192 0.000 1.997 113 L HA -0.276 4.058 4.340 -0.011 0.000 0.216 113 L C 2.405 179.217 176.870 -0.096 0.000 1.074 113 L CA 1.930 56.704 54.840 -0.110 0.000 0.763 113 L CB -0.984 41.042 42.059 -0.054 0.000 0.890 113 L HN 0.512 nan 8.230 nan 0.000 0.434 114 S N -0.820 114.830 115.700 -0.084 0.000 2.595 114 S HA 0.072 4.535 4.470 -0.011 0.000 0.235 114 S C 1.446 176.033 174.600 -0.021 0.000 0.974 114 S CA 0.576 58.761 58.200 -0.025 0.000 0.942 114 S CB -0.122 63.078 63.200 0.001 0.000 0.766 114 S HN 0.439 nan 8.310 nan 0.000 0.536 115 A N 1.695 124.445 122.820 -0.116 0.000 1.983 115 A HA 0.352 4.666 4.320 -0.011 0.000 0.207 115 A C 2.041 179.605 177.584 -0.033 0.000 1.412 115 A CA 0.560 52.563 52.037 -0.058 0.000 0.750 115 A CB -0.724 18.171 19.000 -0.176 0.000 1.047 115 A HN 0.833 nan 8.150 nan 0.000 0.504 116 V N -2.272 117.555 119.914 -0.146 0.000 3.444 116 V HA 0.035 4.148 4.120 -0.011 0.000 0.271 116 V C 0.881 177.015 176.094 0.067 0.000 1.188 116 V CA 0.687 62.976 62.300 -0.017 0.000 1.168 116 V CB -1.515 30.256 31.823 -0.087 0.000 0.810 116 V HN 1.100 nan 8.190 nan 0.000 0.500 117 C N -1.381 117.945 119.300 0.043 0.000 2.971 117 C HA 0.800 5.254 4.460 -0.011 0.000 0.239 117 C C 0.702 175.818 174.990 0.209 0.000 1.647 117 C CA -0.420 58.665 59.018 0.111 0.000 1.088 117 C CB -1.114 26.741 27.740 0.191 0.000 1.982 117 C HN 0.588 nan 8.230 nan 0.000 0.643 118 G N 1.079 109.972 108.800 0.155 0.000 2.890 118 G HA2 0.543 4.497 3.960 -0.011 0.000 0.189 118 G HA3 0.543 4.497 3.960 -0.011 0.000 0.189 118 G C 0.526 175.590 174.900 0.274 0.000 1.342 118 G CA -0.137 45.081 45.100 0.198 0.000 1.026 118 G HN 0.322 nan 8.290 nan 0.000 0.579 119 E N -0.087 120.264 120.200 0.251 0.000 2.086 119 E HA -0.145 4.199 4.350 -0.011 0.000 0.205 119 E C 2.545 179.297 176.600 0.255 0.000 1.027 119 E CA 1.945 58.536 56.400 0.317 0.000 0.830 119 E CB -0.814 28.968 29.700 0.137 0.000 0.751 119 E HN 0.473 nan 8.360 nan 0.000 0.456 120 G N 0.194 109.070 108.800 0.127 0.000 2.574 120 G HA2 -0.334 3.620 3.960 -0.011 0.000 0.220 120 G HA3 -0.334 3.620 3.960 -0.011 0.000 0.220 120 G C 1.750 176.597 174.900 -0.089 0.000 1.173 120 G CA 1.520 46.641 45.100 0.035 0.000 0.772 120 G HN 0.245 nan 8.290 nan 0.000 0.585 121 V N -0.238 119.568 119.914 -0.179 0.000 2.323 121 V HA -0.000 4.113 4.120 -0.011 0.000 0.244 121 V C 2.437 178.193 176.094 -0.564 0.000 1.041 121 V CA 1.648 63.639 62.300 -0.515 0.000 1.025 121 V CB -0.544 30.867 31.823 -0.686 0.000 0.656 121 V HN 0.368 nan 8.190 nan 0.000 0.451 122 F N -1.709 118.138 119.950 -0.172 0.000 2.664 122 F HA 0.208 4.730 4.527 -0.008 0.000 0.296 122 F C 1.345 176.776 175.800 -0.615 0.000 1.125 122 F CA 0.675 58.445 58.000 -0.384 0.000 1.444 122 F CB 0.111 38.840 39.000 -0.453 0.000 1.114 122 F HN 0.098 nan 8.300 nan 0.000 0.576 123 F N -1.019 118.977 119.950 0.078 0.000 2.805 123 F HA 0.250 4.770 4.527 -0.011 0.000 0.317 123 F C 0.866 176.643 175.800 -0.038 0.000 1.146 123 F CA -0.488 57.531 58.000 0.032 0.000 1.265 123 F CB -0.084 38.944 39.000 0.045 0.000 0.992 123 F HN -0.357 nan 8.300 nan 0.000 0.511 124 S N 2.430 118.128 115.700 -0.004 0.000 2.560 124 S HA 0.208 4.672 4.470 -0.011 0.000 0.284 124 S C -2.300 172.233 174.600 -0.111 0.000 1.327 124 S CA -1.073 57.072 58.200 -0.091 0.000 1.055 124 S CB 0.418 63.484 63.200 -0.224 0.000 0.868 124 S HN -0.072 nan 8.310 nan 0.000 0.506 125 P HA 0.284 nan 4.420 nan 0.000 0.276 125 P C 0.619 177.813 177.300 -0.177 0.000 1.235 125 P CA 0.295 63.280 63.100 -0.191 0.000 0.772 125 P CB 0.458 31.953 31.700 -0.341 0.000 0.871 126 G N 2.852 111.607 108.800 -0.075 0.000 2.155 126 G HA2 -0.255 3.699 3.960 -0.011 0.000 0.257 126 G HA3 -0.255 3.699 3.960 -0.011 0.000 0.257 126 G C 0.042 174.972 174.900 0.049 0.000 0.983 126 G CA -0.070 45.033 45.100 0.005 0.000 0.676 126 G HN 0.544 nan 8.290 nan 0.000 0.528 127 I N 0.560 121.110 120.570 -0.034 0.000 2.621 127 I HA 0.246 4.409 4.170 -0.011 0.000 0.276 127 I C -1.341 174.743 176.117 -0.054 0.000 1.118 127 I CA -2.190 59.097 61.300 -0.022 0.000 1.159 127 I CB 1.714 39.583 38.000 -0.219 0.000 1.357 127 I HN -0.133 nan 8.210 nan 0.000 0.513 128 P HA -0.006 nan 4.420 nan 0.000 0.216 128 P C 0.119 177.420 177.300 0.002 0.000 1.153 128 P CA 1.122 64.116 63.100 -0.176 0.000 0.844 128 P CB 0.346 31.727 31.700 -0.531 0.000 0.787 129 L N 0.001 121.275 121.223 0.087 0.000 2.313 129 L HA 0.593 4.927 4.340 -0.011 0.000 0.283 129 L C -0.179 176.885 176.870 0.322 0.000 1.013 129 L CA -0.714 54.318 54.840 0.320 0.000 0.816 129 L CB 1.932 44.146 42.059 0.257 0.000 1.236 129 L HN -0.118 nan 8.230 nan 0.000 0.419 130 I N 2.882 123.628 120.570 0.293 0.000 2.775 130 I HA 0.472 4.636 4.170 -0.011 0.000 0.295 130 I C -1.442 174.701 176.117 0.044 0.000 1.287 130 I CA -0.420 60.959 61.300 0.132 0.000 1.029 130 I CB 2.430 40.363 38.000 -0.112 0.000 1.282 130 I HN 0.685 nan 8.210 nan 0.000 0.426 131 R N 6.279 126.880 120.500 0.168 0.000 2.538 131 R HA 0.494 4.828 4.340 -0.011 0.000 0.292 131 R C -1.948 174.464 176.300 0.186 0.000 1.008 131 R CA -0.798 55.387 56.100 0.141 0.000 0.896 131 R CB 1.745 32.125 30.300 0.133 0.000 1.187 131 R HN 0.618 nan 8.270 nan 0.000 0.440 132 L N 4.568 125.849 121.223 0.098 0.000 2.315 132 L HA 0.192 4.526 4.340 -0.011 0.000 0.283 132 L C 0.449 177.259 176.870 -0.100 0.000 1.089 132 L CA 0.606 55.331 54.840 -0.191 0.000 0.833 132 L CB 1.313 43.256 42.059 -0.194 0.000 1.170 132 L HN 0.736 nan 8.230 nan 0.000 0.442 133 Q N 2.290 121.994 119.800 -0.161 0.000 2.349 133 Q HA 0.237 4.571 4.340 -0.011 0.000 0.209 133 Q C -0.271 175.633 176.000 -0.160 0.000 0.920 133 Q CA 0.516 56.291 55.803 -0.048 0.000 0.901 133 Q CB 0.694 29.428 28.738 -0.007 0.000 1.021 133 Q HN 0.705 nan 8.270 nan 0.000 0.519 134 D N -0.746 119.514 120.400 -0.233 0.000 2.706 134 D HA 0.354 4.987 4.640 -0.011 0.000 0.225 134 D C -1.490 174.639 176.300 -0.285 0.000 1.241 134 D CA -0.523 53.335 54.000 -0.236 0.000 0.784 134 D CB 1.589 42.269 40.800 -0.200 0.000 1.521 134 D HN -0.148 nan 8.370 nan 0.000 0.461 135 I N 0.482 120.873 120.570 -0.298 0.000 2.562 135 I HA 0.615 4.779 4.170 -0.011 0.000 0.301 135 I C 0.060 175.860 176.117 -0.527 0.000 1.003 135 I CA -0.636 60.387 61.300 -0.462 0.000 1.127 135 I CB 1.721 39.352 38.000 -0.616 0.000 1.304 135 I HN 0.082 nan 8.210 nan 0.000 0.446 136 R N 3.529 123.678 120.500 -0.585 0.000 2.575 136 R HA 0.673 5.007 4.340 -0.011 0.000 0.293 136 R C -1.678 174.330 176.300 -0.486 0.000 0.983 136 R CA -0.561 55.287 56.100 -0.419 0.000 0.887 136 R CB 1.875 32.073 30.300 -0.171 0.000 1.184 136 R HN 0.420 nan 8.270 nan 0.000 0.445 137 F N 2.388 122.366 119.950 0.047 0.000 2.480 137 F HA 0.500 5.020 4.527 -0.012 0.000 0.329 137 F C -1.765 174.100 175.800 0.109 0.000 1.091 137 F CA -2.585 55.468 58.000 0.088 0.000 0.972 137 F CB 1.062 40.165 39.000 0.171 0.000 1.150 137 F HN 0.259 nan 8.300 nan 0.000 0.467 138 P HA 0.189 nan 4.420 nan 0.000 0.277 138 P C 0.365 177.806 177.300 0.235 0.000 1.240 138 P CA -0.387 62.856 63.100 0.237 0.000 0.798 138 P CB 0.900 32.742 31.700 0.237 0.000 0.979 139 E N 2.406 122.705 120.200 0.166 0.000 2.048 139 E HA -0.195 4.149 4.350 -0.011 0.000 0.202 139 E C -0.744 175.929 176.600 0.120 0.000 1.021 139 E CA 2.097 58.573 56.400 0.127 0.000 0.825 139 E CB -2.564 27.189 29.700 0.089 0.000 0.756 139 E HN 0.475 nan 8.360 nan 0.000 0.454 140 P HA -0.240 nan 4.420 nan 0.000 0.219 140 P C 1.731 179.083 177.300 0.087 0.000 1.161 140 P CA 1.695 64.857 63.100 0.104 0.000 0.909 140 P CB -0.454 31.334 31.700 0.148 0.000 0.793 141 Y N 0.163 120.440 120.300 -0.039 0.000 2.163 141 Y HA -0.145 4.399 4.550 -0.011 0.000 0.288 141 Y C 2.589 178.532 175.900 0.070 0.000 1.136 141 Y CA 1.335 59.367 58.100 -0.113 0.000 1.147 141 Y CB -0.869 37.443 38.460 -0.247 0.000 0.987 141 Y HN -0.251 nan 8.280 nan 0.000 0.509 142 L N -0.365 120.960 121.223 0.171 0.000 2.079 142 L HA -0.258 4.076 4.340 -0.011 0.000 0.210 142 L C 2.664 179.584 176.870 0.082 0.000 1.081 142 L CA 1.085 55.992 54.840 0.113 0.000 0.752 142 L CB -0.847 41.272 42.059 0.101 0.000 0.896 142 L HN 0.336 nan 8.230 nan 0.000 0.433 143 A N -0.230 122.602 122.820 0.020 0.000 2.186 143 A HA -0.122 4.192 4.320 -0.011 0.000 0.219 143 A C 2.384 179.906 177.584 -0.102 0.000 1.159 143 A CA 1.554 53.578 52.037 -0.023 0.000 0.680 143 A CB -0.499 18.492 19.000 -0.016 0.000 0.787 143 A HN 0.438 nan 8.150 nan 0.000 0.467 144 A N -1.176 121.513 122.820 -0.219 0.000 2.021 144 A HA 0.424 4.738 4.320 -0.011 0.000 0.216 144 A C 0.631 177.886 177.584 -0.547 0.000 1.163 144 A CA 0.123 51.896 52.037 -0.439 0.000 0.676 144 A CB -0.215 18.374 19.000 -0.684 0.000 0.818 144 A HN 0.357 nan 8.150 nan 0.000 0.453 145 F N -0.177 119.621 119.950 -0.253 0.000 2.380 145 F HA 0.436 4.957 4.527 -0.010 0.000 0.319 145 F C 0.809 176.517 175.800 -0.154 0.000 1.113 145 F CA -0.652 57.224 58.000 -0.208 0.000 1.056 145 F CB 0.716 39.571 39.000 -0.241 0.000 1.289 145 F HN 0.035 nan 8.300 nan 0.000 0.515 146 D N -0.781 119.661 120.400 0.069 0.000 2.423 146 D HA 0.282 4.915 4.640 -0.011 0.000 0.212 146 D C 1.199 177.496 176.300 -0.005 0.000 1.060 146 D CA 0.808 54.807 54.000 -0.003 0.000 0.872 146 D CB 0.107 40.881 40.800 -0.044 0.000 1.012 146 D HN 0.759 nan 8.370 nan 0.000 0.503 147 G N 1.154 109.959 108.800 0.008 0.000 2.601 147 G HA2 -0.239 3.715 3.960 -0.011 0.000 0.261 147 G HA3 -0.239 3.715 3.960 -0.011 0.000 0.261 147 G C -2.446 172.440 174.900 -0.023 0.000 1.289 147 G CA -0.773 44.317 45.100 -0.017 0.000 0.920 147 G HN 0.125 nan 8.290 nan 0.000 0.571 148 P HA 0.404 nan 4.420 nan 0.000 0.275 148 P C 0.634 177.910 177.300 -0.039 0.000 1.228 148 P CA -0.162 62.948 63.100 0.016 0.000 0.786 148 P CB 1.116 32.861 31.700 0.075 0.000 0.927 149 R N 2.375 122.816 120.500 -0.098 0.000 2.073 149 R HA -0.000 4.334 4.340 -0.011 0.000 0.229 149 R C 1.130 177.187 176.300 -0.404 0.000 1.120 149 R CA 1.982 57.887 56.100 -0.324 0.000 0.967 149 R CB -0.723 29.249 30.300 -0.546 0.000 0.862 149 R HN 0.395 nan 8.270 nan 0.000 0.436 150 F N -0.613 119.348 119.950 0.019 0.000 2.390 150 F HA 0.429 4.950 4.527 -0.011 0.000 0.281 150 F C 1.537 177.355 175.800 0.030 0.000 1.016 150 F CA 0.707 58.721 58.000 0.024 0.000 1.286 150 F CB -0.503 38.512 39.000 0.025 0.000 1.134 150 F HN 0.343 nan 8.300 nan 0.000 0.597 151 G N 1.015 109.961 108.800 0.244 0.000 2.741 151 G HA2 -0.254 3.700 3.960 -0.011 0.000 0.222 151 G HA3 -0.254 3.700 3.960 -0.011 0.000 0.222 151 G C 0.577 175.560 174.900 0.138 0.000 1.364 151 G CA -0.180 45.012 45.100 0.153 0.000 0.866 151 G HN 0.247 nan 8.290 nan 0.000 0.555 152 I N 0.747 121.377 120.570 0.099 0.000 2.142 152 I HA -0.136 4.027 4.170 -0.011 0.000 0.240 152 I C 3.367 179.523 176.117 0.066 0.000 1.078 152 I CA 2.262 63.603 61.300 0.069 0.000 1.343 152 I CB -1.081 36.956 38.000 0.062 0.000 1.046 152 I HN 0.916 nan 8.210 nan 0.000 0.405 153 A N 1.542 124.417 122.820 0.091 0.000 1.893 153 A HA -0.317 3.997 4.320 -0.011 0.000 0.222 153 A C 2.435 180.093 177.584 0.123 0.000 1.309 153 A CA 2.884 54.988 52.037 0.112 0.000 0.681 153 A CB -1.797 17.267 19.000 0.106 0.000 0.842 153 A HN 0.514 nan 8.150 nan 0.000 0.468 154 G N -1.425 107.471 108.800 0.160 0.000 2.404 154 G HA2 -0.045 3.909 3.960 -0.011 0.000 0.215 154 G HA3 -0.045 3.909 3.960 -0.011 0.000 0.215 154 G C 1.534 176.473 174.900 0.065 0.000 1.174 154 G CA 1.276 46.510 45.100 0.223 0.000 0.780 154 G HN 0.418 nan 8.290 nan 0.000 0.537 155 V N 0.895 120.817 119.914 0.014 0.000 2.287 155 V HA -0.228 3.885 4.120 -0.011 0.000 0.248 155 V C 2.954 178.949 176.094 -0.166 0.000 1.053 155 V CA 2.107 64.344 62.300 -0.104 0.000 1.027 155 V CB -0.508 31.281 31.823 -0.057 0.000 0.646 155 V HN 0.317 nan 8.190 nan 0.000 0.447 156 R N -0.488 119.916 120.500 -0.160 0.000 2.103 156 R HA -0.217 4.116 4.340 -0.011 0.000 0.242 156 R C 2.376 178.402 176.300 -0.458 0.000 1.142 156 R CA 1.764 57.656 56.100 -0.348 0.000 0.960 156 R CB -0.357 29.793 30.300 -0.250 0.000 0.858 156 R HN 0.601 nan 8.270 nan 0.000 0.439 157 E N 0.308 120.428 120.200 -0.133 0.000 2.107 157 E HA -0.125 4.219 4.350 -0.011 0.000 0.191 157 E C 1.980 178.544 176.600 -0.061 0.000 0.982 157 E CA 0.531 56.938 56.400 0.012 0.000 0.809 157 E CB 0.206 29.998 29.700 0.152 0.000 0.756 157 E HN 0.157 nan 8.360 nan 0.000 0.459 158 R N 0.106 120.539 120.500 -0.111 0.000 2.120 158 R HA -0.086 4.247 4.340 -0.011 0.000 0.234 158 R C 2.185 178.388 176.300 -0.162 0.000 1.123 158 R CA 0.769 56.787 56.100 -0.137 0.000 0.975 158 R CB -0.285 29.894 30.300 -0.201 0.000 0.866 158 R HN 0.283 nan 8.270 nan 0.000 0.446 159 L N 0.386 121.471 121.223 -0.229 0.000 2.616 159 L HA 0.083 4.416 4.340 -0.011 0.000 0.229 159 L C 0.272 176.993 176.870 -0.248 0.000 1.110 159 L CA -0.035 54.664 54.840 -0.236 0.000 0.884 159 L CB 0.108 42.001 42.059 -0.277 0.000 1.115 159 L HN 0.023 nan 8.230 nan 0.000 0.481 160 Q N -0.651 118.971 119.800 -0.296 0.000 2.468 160 Q HA -0.203 4.131 4.340 -0.011 0.000 0.256 160 Q C 0.262 175.950 176.000 -0.520 0.000 0.984 160 Q CA 1.030 56.675 55.803 -0.263 0.000 1.110 160 Q CB -1.817 26.916 28.738 -0.008 0.000 1.527 160 Q HN 0.488 nan 8.270 nan 0.000 0.535 161 A N 0.630 122.978 122.820 -0.786 0.000 2.366 161 A HA 0.657 4.971 4.320 -0.011 0.000 0.322 161 A C -0.444 176.647 177.584 -0.822 0.000 1.397 161 A CA -0.238 51.434 52.037 -0.609 0.000 0.984 161 A CB 0.026 18.742 19.000 -0.474 0.000 1.149 161 A HN 0.151 nan 8.150 nan 0.000 0.540 162 F N 0.862 120.764 119.950 -0.081 0.000 2.532 162 F HA 0.409 4.930 4.527 -0.010 0.000 0.321 162 F C 0.375 176.152 175.800 -0.039 0.000 1.089 162 F CA -0.528 57.439 58.000 -0.054 0.000 0.926 162 F CB 1.728 40.717 39.000 -0.019 0.000 1.168 162 F HN 0.597 nan 8.300 nan 0.000 0.459 163 D N 1.245 121.746 120.400 0.169 0.000 2.837 163 D HA -0.220 4.414 4.640 -0.011 0.000 0.230 163 D C -0.334 176.027 176.300 0.103 0.000 1.152 163 D CA 0.924 55.011 54.000 0.146 0.000 0.736 163 D CB -0.722 40.188 40.800 0.183 0.000 1.084 163 D HN 0.776 nan 8.370 nan 0.000 0.429 164 R N -2.494 117.908 120.500 -0.164 0.000 2.663 164 R HA 0.619 4.953 4.340 -0.011 0.000 0.267 164 R C -3.289 172.484 176.300 -0.879 0.000 1.038 164 R CA -1.545 54.178 56.100 -0.628 0.000 0.886 164 R CB 1.515 31.430 30.300 -0.642 0.000 1.249 164 R HN -0.243 nan 8.270 nan 0.000 0.463 165 P HA 0.107 nan 4.420 nan 0.000 0.272 165 P C -0.291 176.176 177.300 -1.388 0.000 1.230 165 P CA -0.396 61.881 63.100 -1.372 0.000 0.788 165 P CB 0.514 31.098 31.700 -1.860 0.000 0.949 166 I N 1.988 122.018 120.570 -0.900 0.000 2.352 166 I HA 0.188 4.351 4.170 -0.011 0.000 0.290 166 I C 0.491 176.269 176.117 -0.566 0.000 1.036 166 I CA -0.635 60.243 61.300 -0.703 0.000 1.336 166 I CB -1.205 36.569 38.000 -0.377 0.000 1.407 166 I HN 0.228 nan 8.210 nan 0.000 0.497 167 F N 6.644 126.482 119.950 -0.186 0.000 2.375 167 F HA 0.376 4.896 4.527 -0.012 0.000 0.362 167 F C 0.227 175.991 175.800 -0.060 0.000 1.129 167 F CA -0.522 57.470 58.000 -0.012 0.000 1.154 167 F CB 0.347 39.335 39.000 -0.019 0.000 1.205 167 F HN 0.213 nan 8.300 nan 0.000 0.513 168 F N 1.243 121.321 119.950 0.213 0.000 2.403 168 F HA 0.744 5.265 4.527 -0.009 0.000 0.326 168 F C 0.715 176.592 175.800 0.128 0.000 1.081 168 F CA -0.903 57.179 58.000 0.136 0.000 1.041 168 F CB 1.653 40.705 39.000 0.085 0.000 1.234 168 F HN 0.426 nan 8.300 nan 0.000 0.503 169 G N 0.258 109.253 108.800 0.325 0.000 2.753 169 G HA2 0.533 4.486 3.960 -0.011 0.000 0.295 169 G HA3 0.533 4.486 3.960 -0.011 0.000 0.295 169 G C -2.148 172.961 174.900 0.348 0.000 1.437 169 G CA -0.710 44.572 45.100 0.303 0.000 1.094 169 G HN 0.477 nan 8.290 nan 0.000 0.540 170 V N 3.340 123.435 119.914 0.300 0.000 2.348 170 V HA 0.310 4.423 4.120 -0.011 0.000 0.270 170 V C 0.738 176.760 176.094 -0.120 0.000 1.037 170 V CA -0.670 61.709 62.300 0.131 0.000 0.872 170 V CB 0.730 32.607 31.823 0.090 0.000 1.002 170 V HN 0.648 nan 8.190 nan 0.000 0.464 171 I N 5.557 125.919 120.570 -0.347 0.000 2.752 171 I HA 0.091 4.255 4.170 -0.011 0.000 0.289 171 I C 0.625 176.288 176.117 -0.757 0.000 1.197 171 I CA 0.914 61.604 61.300 -1.017 0.000 1.432 171 I CB 0.051 37.736 38.000 -0.525 0.000 1.359 171 I HN 0.569 nan 8.210 nan 0.000 0.571 172 K N 7.562 127.396 120.400 -0.944 0.000 2.468 172 K HA 0.477 4.790 4.320 -0.011 0.000 0.252 172 K C -2.462 173.936 176.600 -0.336 0.000 0.932 172 K CA -1.647 54.382 56.287 -0.429 0.000 0.794 172 K CB 2.231 34.623 32.500 -0.180 0.000 1.241 172 K HN 0.288 nan 8.250 nan 0.000 0.428 173 P HA 0.069 nan 4.420 nan 0.000 0.272 173 P C -0.654 176.465 177.300 -0.302 0.000 1.240 173 P CA -0.136 62.839 63.100 -0.209 0.000 0.791 173 P CB 0.890 32.509 31.700 -0.135 0.000 0.978 174 N N 0.370 118.998 118.700 -0.121 0.000 3.170 174 N HA 0.051 4.785 4.740 -0.011 0.000 0.235 174 N C 0.515 176.184 175.510 0.264 0.000 1.037 174 N CA -0.019 53.075 53.050 0.074 0.000 1.160 174 N CB -0.190 38.410 38.487 0.189 0.000 1.606 174 N HN 0.190 nan 8.380 nan 0.000 0.580 175 I N 2.329 123.016 120.570 0.196 0.000 2.845 175 I HA 0.020 4.183 4.170 -0.011 0.000 0.290 175 I C 1.509 177.577 176.117 -0.082 0.000 1.202 175 I CA 1.652 63.035 61.300 0.138 0.000 1.406 175 I CB -0.420 37.603 38.000 0.039 0.000 1.383 175 I HN 0.789 nan 8.210 nan 0.000 0.549 176 G N 5.897 114.535 108.800 -0.271 0.000 2.352 176 G HA2 -0.183 3.770 3.960 -0.011 0.000 0.204 176 G HA3 -0.183 3.770 3.960 -0.011 0.000 0.204 176 G C 0.219 175.103 174.900 -0.027 0.000 1.004 176 G CA -0.628 44.299 45.100 -0.288 0.000 0.648 176 G HN 0.433 nan 8.290 nan 0.000 0.491 177 L N 3.666 124.987 121.223 0.163 0.000 2.331 177 L HA 0.358 4.691 4.340 -0.011 0.000 0.278 177 L C -1.163 175.942 176.870 0.392 0.000 1.106 177 L CA -1.713 53.260 54.840 0.222 0.000 0.824 177 L CB 0.964 43.099 42.059 0.125 0.000 1.142 177 L HN 0.103 nan 8.230 nan 0.000 0.443 178 P HA 0.119 nan 4.420 nan 0.000 0.272 178 P C -2.348 175.104 177.300 0.253 0.000 1.254 178 P CA -1.234 62.015 63.100 0.248 0.000 0.795 178 P CB -0.099 31.695 31.700 0.155 0.000 1.022 179 P HA -0.075 nan 4.420 nan 0.000 0.225 179 P C 1.706 179.092 177.300 0.143 0.000 1.156 179 P CA 1.063 64.217 63.100 0.091 0.000 0.787 179 P CB 0.002 31.692 31.700 -0.017 0.000 0.802 180 Q N 0.422 120.295 119.800 0.122 0.000 1.965 180 Q HA -0.064 4.270 4.340 -0.011 0.000 0.200 180 Q C -0.704 175.367 176.000 0.120 0.000 0.981 180 Q CA 2.075 57.935 55.803 0.096 0.000 0.834 180 Q CB -1.789 26.984 28.738 0.059 0.000 0.900 180 Q HN 0.216 nan 8.270 nan 0.000 0.426 181 P HA -0.108 nan 4.420 nan 0.000 0.239 181 P C 1.005 178.342 177.300 0.061 0.000 1.184 181 P CA 0.694 63.835 63.100 0.068 0.000 0.760 181 P CB -0.392 31.329 31.700 0.034 0.000 0.884 182 F N 1.642 121.596 119.950 0.006 0.000 2.098 182 F HA -0.083 4.436 4.527 -0.013 0.000 0.294 182 F C 2.628 178.418 175.800 -0.016 0.000 1.107 182 F CA 1.505 59.496 58.000 -0.015 0.000 1.234 182 F CB -0.603 38.389 39.000 -0.014 0.000 1.002 182 F HN -0.072 nan 8.300 nan 0.000 0.472 183 A N -0.163 122.814 122.820 0.261 0.000 1.948 183 A HA -0.218 4.095 4.320 -0.011 0.000 0.220 183 A C 2.105 179.803 177.584 0.191 0.000 1.177 183 A CA 1.831 53.975 52.037 0.178 0.000 0.636 183 A CB -0.684 18.382 19.000 0.110 0.000 0.815 183 A HN 0.364 nan 8.150 nan 0.000 0.449 184 E N 0.181 120.469 120.200 0.147 0.000 2.033 184 E HA -0.201 4.142 4.350 -0.011 0.000 0.199 184 E C 2.089 178.806 176.600 0.194 0.000 1.011 184 E CA 1.408 57.901 56.400 0.155 0.000 0.815 184 E CB -0.609 29.147 29.700 0.094 0.000 0.755 184 E HN 0.702 nan 8.360 nan 0.000 0.451 185 L N 0.011 121.303 121.223 0.115 0.000 2.046 185 L HA -0.120 4.213 4.340 -0.011 0.000 0.208 185 L C 2.544 179.524 176.870 0.183 0.000 1.077 185 L CA 1.353 56.279 54.840 0.143 0.000 0.747 185 L CB -0.940 41.119 42.059 0.001 0.000 0.896 185 L HN 0.201 nan 8.230 nan 0.000 0.432 186 G N -0.696 108.136 108.800 0.052 0.000 2.459 186 G HA2 -0.376 3.577 3.960 -0.011 0.000 0.217 186 G HA3 -0.376 3.577 3.960 -0.011 0.000 0.217 186 G C 1.482 176.250 174.900 -0.220 0.000 1.183 186 G CA 0.999 45.949 45.100 -0.249 0.000 0.776 186 G HN 0.360 nan 8.290 nan 0.000 0.552 187 Y N 1.464 121.842 120.300 0.130 0.000 2.102 187 Y HA -0.282 4.261 4.550 -0.011 0.000 0.280 187 Y C 3.014 179.070 175.900 0.260 0.000 1.178 187 Y CA 2.602 60.927 58.100 0.375 0.000 1.146 187 Y CB -0.286 38.320 38.460 0.244 0.000 0.968 187 Y HN 0.289 nan 8.280 nan 0.000 0.504 188 Q N -0.451 119.367 119.800 0.030 0.000 2.046 188 Q HA -0.161 4.172 4.340 -0.011 0.000 0.200 188 Q C 2.589 178.509 176.000 -0.133 0.000 0.975 188 Q CA 1.951 57.700 55.803 -0.091 0.000 0.836 188 Q CB -0.505 28.264 28.738 0.052 0.000 0.896 188 Q HN 0.660 nan 8.270 nan 0.000 0.428 189 S N -0.036 115.583 115.700 -0.134 0.000 2.382 189 S HA -0.152 4.311 4.470 -0.011 0.000 0.228 189 S C 1.637 176.157 174.600 -0.134 0.000 1.027 189 S CA 0.606 58.663 58.200 -0.239 0.000 0.991 189 S CB -0.512 62.464 63.200 -0.373 0.000 0.823 189 S HN 0.396 nan 8.310 nan 0.000 0.469 190 W N 2.483 123.735 121.300 -0.080 0.000 2.358 190 W HA -0.010 4.645 4.660 -0.008 0.000 0.303 190 W C 2.740 179.169 176.519 -0.148 0.000 1.208 190 W CA 1.466 58.757 57.345 -0.091 0.000 1.274 190 W CB -1.555 27.861 29.460 -0.072 0.000 1.138 190 W HN 0.382 nan 8.180 nan 0.000 0.515 191 T N -0.399 114.150 114.554 -0.007 0.000 2.788 191 T HA -0.117 4.227 4.350 -0.011 0.000 0.268 191 T C 2.005 176.665 174.700 -0.066 0.000 1.044 191 T CA 1.758 63.793 62.100 -0.109 0.000 1.139 191 T CB -0.851 67.858 68.868 -0.266 0.000 0.867 191 T HN 0.241 nan 8.240 nan 0.000 0.454 192 G N 0.462 109.213 108.800 -0.083 0.000 2.448 192 G HA2 0.227 4.180 3.960 -0.011 0.000 0.219 192 G HA3 0.227 4.180 3.960 -0.011 0.000 0.219 192 G C 1.116 175.974 174.900 -0.069 0.000 1.127 192 G CA 0.952 45.998 45.100 -0.091 0.000 0.766 192 G HN 0.842 nan 8.290 nan 0.000 0.552 193 G N -1.350 107.432 108.800 -0.030 0.000 2.321 193 G HA2 -0.132 3.822 3.960 -0.011 0.000 0.174 193 G HA3 -0.132 3.822 3.960 -0.011 0.000 0.174 193 G C 0.207 175.135 174.900 0.047 0.000 1.008 193 G CA -0.324 44.777 45.100 0.002 0.000 0.739 193 G HN 0.304 nan 8.290 nan 0.000 0.502 194 L N 1.035 122.292 121.223 0.057 0.000 2.456 194 L HA 0.237 4.570 4.340 -0.011 0.000 0.272 194 L C 1.017 178.031 176.870 0.240 0.000 1.189 194 L CA -0.080 54.834 54.840 0.122 0.000 0.846 194 L CB 0.619 42.692 42.059 0.024 0.000 1.111 194 L HN 0.068 nan 8.230 nan 0.000 0.475 195 D N 2.377 122.879 120.400 0.170 0.000 2.202 195 D HA 0.175 4.809 4.640 -0.011 0.000 0.214 195 D C 0.340 176.739 176.300 0.166 0.000 0.967 195 D CA 1.313 55.359 54.000 0.076 0.000 0.871 195 D CB 0.500 41.221 40.800 -0.132 0.000 1.020 195 D HN 0.291 nan 8.370 nan 0.000 0.474 196 I N 0.631 121.240 120.570 0.065 0.000 2.447 196 I HA 0.399 4.562 4.170 -0.011 0.000 0.287 196 I C -0.747 175.470 176.117 0.168 0.000 1.023 196 I CA -0.890 60.485 61.300 0.125 0.000 1.083 196 I CB 2.299 40.136 38.000 -0.271 0.000 1.245 196 I HN -0.196 nan 8.210 nan 0.000 0.434 197 A N 6.932 129.892 122.820 0.233 0.000 2.276 197 A HA 0.673 4.987 4.320 -0.011 0.000 0.316 197 A C -0.378 177.345 177.584 0.233 0.000 1.229 197 A CA -0.529 51.532 52.037 0.041 0.000 0.851 197 A CB 0.609 19.282 19.000 -0.545 0.000 1.165 197 A HN 0.760 nan 8.150 nan 0.000 0.513 198 K N 2.205 122.734 120.400 0.215 0.000 2.267 198 K HA 0.559 4.872 4.320 -0.011 0.000 0.246 198 K C -1.396 175.313 176.600 0.182 0.000 0.954 198 K CA -0.835 55.565 56.287 0.188 0.000 0.824 198 K CB 1.396 34.023 32.500 0.212 0.000 1.167 198 K HN 0.420 nan 8.250 nan 0.000 0.431 199 D N 1.694 122.180 120.400 0.144 0.000 2.372 199 D HA 0.041 4.674 4.640 -0.011 0.000 0.243 199 D C -0.543 175.813 176.300 0.093 0.000 1.121 199 D CA 0.076 54.160 54.000 0.140 0.000 0.898 199 D CB 1.064 41.903 40.800 0.065 0.000 1.202 199 D HN 0.608 nan 8.370 nan 0.000 0.428 200 D N 0.109 120.559 120.400 0.083 0.000 2.400 200 D HA -0.035 4.598 4.640 -0.011 0.000 0.238 200 D C 0.833 177.088 176.300 -0.076 0.000 1.157 200 D CA -0.042 53.958 54.000 0.000 0.000 0.889 200 D CB 0.806 41.614 40.800 0.013 0.000 1.199 200 D HN 0.179 nan 8.370 nan 0.000 0.436 201 E N 1.479 121.528 120.200 -0.251 0.000 2.130 201 E HA -0.203 4.140 4.350 -0.011 0.000 0.196 201 E C 1.213 177.719 176.600 -0.157 0.000 0.998 201 E CA 1.484 57.685 56.400 -0.330 0.000 0.806 201 E CB -0.235 29.096 29.700 -0.616 0.000 0.738 201 E HN 0.584 nan 8.360 nan 0.000 0.459 202 M N 0.168 119.705 119.600 -0.105 0.000 2.530 202 M HA 0.191 4.664 4.480 -0.011 0.000 0.231 202 M C -0.241 176.079 176.300 0.034 0.000 1.180 202 M CA -0.224 55.058 55.300 -0.029 0.000 0.985 202 M CB 0.445 33.038 32.600 -0.012 0.000 1.623 202 M HN -0.008 nan 8.290 nan 0.000 0.475 203 L N 0.656 121.887 121.223 0.013 0.000 2.353 203 L HA 0.746 5.080 4.340 -0.011 0.000 0.270 203 L C -0.363 176.468 176.870 -0.065 0.000 1.003 203 L CA -0.090 54.757 54.840 0.011 0.000 0.862 203 L CB 0.521 42.623 42.059 0.072 0.000 1.221 203 L HN 0.106 nan 8.230 nan 0.000 0.430 204 A N 2.899 125.655 122.820 -0.106 0.000 3.934 204 A HA 0.548 4.862 4.320 -0.011 0.000 0.163 204 A C -0.799 176.670 177.584 -0.191 0.000 1.103 204 A CA -0.343 51.624 52.037 -0.117 0.000 1.170 204 A CB 0.049 19.005 19.000 -0.074 0.000 1.564 204 A HN 0.504 nan 8.150 nan 0.000 0.705 205 D N 0.543 120.848 120.400 -0.159 0.000 2.393 205 D HA 0.467 5.101 4.640 -0.011 0.000 0.232 205 D C -0.685 175.477 176.300 -0.229 0.000 1.192 205 D CA 0.376 54.267 54.000 -0.182 0.000 0.882 205 D CB 0.257 40.990 40.800 -0.113 0.000 1.038 205 D HN 0.443 nan 8.370 nan 0.000 0.499 206 V N 1.043 120.730 119.914 -0.379 0.000 3.040 206 V HA 0.366 4.480 4.120 -0.011 0.000 0.312 206 V C 1.036 176.855 176.094 -0.458 0.000 1.115 206 V CA -0.952 61.072 62.300 -0.461 0.000 0.998 206 V CB 1.858 33.228 31.823 -0.755 0.000 1.042 206 V HN 0.164 nan 8.190 nan 0.000 0.433 207 D N 1.699 121.944 120.400 -0.258 0.000 2.160 207 D HA -0.209 4.424 4.640 -0.011 0.000 0.189 207 D C 1.786 178.043 176.300 -0.071 0.000 1.003 207 D CA 2.969 56.915 54.000 -0.091 0.000 0.846 207 D CB -0.106 40.740 40.800 0.077 0.000 0.949 207 D HN 0.898 nan 8.370 nan 0.000 0.446 208 W N -0.634 120.666 121.300 0.001 0.000 2.678 208 W HA 0.177 4.831 4.660 -0.010 0.000 0.256 208 W C 0.461 176.984 176.519 0.007 0.000 1.280 208 W CA -0.032 57.317 57.345 0.007 0.000 1.345 208 W CB -0.809 28.659 29.460 0.014 0.000 1.118 208 W HN 0.074 nan 8.180 nan 0.000 0.629 209 C N 4.128 123.171 119.300 -0.428 0.000 3.482 209 C HA 0.347 4.800 4.460 -0.011 0.000 0.208 209 C C -2.051 172.707 174.990 -0.386 0.000 1.306 209 C CA -1.699 57.124 59.018 -0.325 0.000 1.254 209 C CB -0.813 26.746 27.740 -0.303 0.000 1.832 209 C HN -0.130 nan 8.230 nan 0.000 0.554 210 P HA 0.043 nan 4.420 nan 0.000 0.267 210 P C 0.797 177.988 177.300 -0.181 0.000 1.200 210 P CA 0.118 63.090 63.100 -0.214 0.000 0.772 210 P CB 0.777 32.396 31.700 -0.134 0.000 0.855 211 L N 3.404 124.536 121.223 -0.153 0.000 2.093 211 L HA -0.104 4.230 4.340 -0.011 0.000 0.208 211 L C 2.414 179.243 176.870 -0.069 0.000 1.085 211 L CA 2.228 57.005 54.840 -0.106 0.000 0.755 211 L CB -1.500 40.513 42.059 -0.077 0.000 0.904 211 L HN 0.457 nan 8.230 nan 0.000 0.435 212 A N -0.281 122.500 122.820 -0.064 0.000 1.915 212 A HA -0.308 4.006 4.320 -0.011 0.000 0.220 212 A C 2.176 179.732 177.584 -0.048 0.000 1.198 212 A CA 2.478 54.488 52.037 -0.045 0.000 0.647 212 A CB -0.665 18.310 19.000 -0.042 0.000 0.825 212 A HN 0.696 nan 8.150 nan 0.000 0.456 213 E N -1.621 118.539 120.200 -0.067 0.000 2.127 213 E HA -0.011 4.333 4.350 -0.011 0.000 0.191 213 E C 2.372 178.917 176.600 -0.092 0.000 0.964 213 E CA 0.056 56.416 56.400 -0.066 0.000 0.832 213 E CB -0.160 29.504 29.700 -0.059 0.000 0.790 213 E HN 0.449 nan 8.360 nan 0.000 0.465 214 R N 0.922 121.340 120.500 -0.137 0.000 2.115 214 R HA -0.195 4.138 4.340 -0.011 0.000 0.239 214 R C 2.372 178.552 176.300 -0.199 0.000 1.133 214 R CA 1.688 57.661 56.100 -0.211 0.000 0.935 214 R CB -0.424 29.712 30.300 -0.274 0.000 0.853 214 R HN 0.140 nan 8.270 nan 0.000 0.433 215 A N 0.582 123.345 122.820 -0.095 0.000 1.933 215 A HA -0.108 4.206 4.320 -0.011 0.000 0.218 215 A C 2.330 179.869 177.584 -0.075 0.000 1.175 215 A CA 1.705 53.724 52.037 -0.030 0.000 0.628 215 A CB -0.572 18.506 19.000 0.130 0.000 0.814 215 A HN 0.488 nan 8.150 nan 0.000 0.444 216 A N -0.037 122.748 122.820 -0.057 0.000 1.865 216 A HA -0.115 4.198 4.320 -0.011 0.000 0.217 216 A C 2.180 179.728 177.584 -0.060 0.000 1.191 216 A CA 1.670 53.679 52.037 -0.046 0.000 0.623 216 A CB -0.636 18.342 19.000 -0.036 0.000 0.826 216 A HN 0.466 nan 8.150 nan 0.000 0.444 217 L N -1.300 119.878 121.223 -0.076 0.000 2.072 217 L HA -0.099 4.235 4.340 -0.011 0.000 0.205 217 L C 2.590 179.427 176.870 -0.055 0.000 1.079 217 L CA 1.022 55.831 54.840 -0.052 0.000 0.752 217 L CB -0.582 41.457 42.059 -0.033 0.000 0.906 217 L HN 0.353 nan 8.230 nan 0.000 0.436 218 L N -0.428 120.696 121.223 -0.165 0.000 2.156 218 L HA -0.054 4.280 4.340 -0.011 0.000 0.208 218 L C 2.620 179.413 176.870 -0.127 0.000 1.095 218 L CA 1.104 55.815 54.840 -0.216 0.000 0.770 218 L CB -0.734 40.836 42.059 -0.814 0.000 0.914 218 L HN 0.231 nan 8.230 nan 0.000 0.439 219 G N -0.715 108.000 108.800 -0.141 0.000 2.440 219 G HA2 -0.279 3.675 3.960 -0.011 0.000 0.218 219 G HA3 -0.279 3.675 3.960 -0.011 0.000 0.218 219 G C 1.246 176.121 174.900 -0.041 0.000 1.154 219 G CA 0.832 45.910 45.100 -0.037 0.000 0.767 219 G HN 0.253 nan 8.290 nan 0.000 0.552 220 D N 0.986 121.369 120.400 -0.028 0.000 2.088 220 D HA -0.098 4.536 4.640 -0.011 0.000 0.191 220 D C 2.922 179.227 176.300 0.010 0.000 0.992 220 D CA 1.465 55.455 54.000 -0.017 0.000 0.831 220 D CB -0.543 40.248 40.800 -0.015 0.000 0.973 220 D HN 0.242 nan 8.370 nan 0.000 0.447 221 A N 0.393 123.262 122.820 0.082 0.000 1.986 221 A HA -0.236 4.077 4.320 -0.011 0.000 0.220 221 A C 2.549 180.244 177.584 0.184 0.000 1.171 221 A CA 1.813 53.999 52.037 0.249 0.000 0.640 221 A CB -1.092 18.162 19.000 0.424 0.000 0.811 221 A HN 0.455 nan 8.150 nan 0.000 0.451 222 C N -1.060 118.154 119.300 -0.143 0.000 2.518 222 C HA 0.031 4.485 4.460 -0.011 0.000 0.279 222 C C 2.796 177.545 174.990 -0.402 0.000 1.279 222 C CA 1.062 59.648 59.018 -0.721 0.000 1.703 222 C CB -1.149 26.191 27.740 -0.666 0.000 2.072 222 C HN 0.662 nan 8.230 nan 0.000 0.487 223 R N -0.014 120.366 120.500 -0.200 0.000 2.105 223 R HA -0.137 4.197 4.340 -0.011 0.000 0.239 223 R C 2.589 178.847 176.300 -0.071 0.000 1.135 223 R CA 1.646 57.672 56.100 -0.123 0.000 0.967 223 R CB -0.388 29.868 30.300 -0.073 0.000 0.861 223 R HN 0.559 nan 8.270 nan 0.000 0.442 224 R N -0.046 120.446 120.500 -0.013 0.000 2.070 224 R HA -0.103 4.231 4.340 -0.011 0.000 0.233 224 R C 2.224 178.596 176.300 0.120 0.000 1.137 224 R CA 1.606 57.748 56.100 0.069 0.000 0.945 224 R CB -0.233 30.128 30.300 0.101 0.000 0.845 224 R HN 0.215 nan 8.270 nan 0.000 0.430 225 A N -0.552 122.348 122.820 0.132 0.000 1.930 225 A HA -0.129 4.184 4.320 -0.011 0.000 0.217 225 A C 2.125 179.671 177.584 -0.063 0.000 1.175 225 A CA 1.702 53.770 52.037 0.052 0.000 0.627 225 A CB -0.556 18.444 19.000 -0.001 0.000 0.815 225 A HN 0.368 nan 8.150 nan 0.000 0.443 226 S N -0.559 115.052 115.700 -0.149 0.000 2.368 226 S HA -0.041 4.422 4.470 -0.011 0.000 0.225 226 S C 2.178 176.734 174.600 -0.072 0.000 1.030 226 S CA 1.465 59.577 58.200 -0.147 0.000 0.999 226 S CB -0.380 62.704 63.200 -0.194 0.000 0.844 226 S HN 0.765 nan 8.310 nan 0.000 0.459 227 A N 0.834 123.627 122.820 -0.044 0.000 1.898 227 A HA -0.028 4.285 4.320 -0.011 0.000 0.216 227 A C 1.937 179.521 177.584 0.001 0.000 1.181 227 A CA 1.477 53.503 52.037 -0.018 0.000 0.620 227 A CB -0.599 18.397 19.000 -0.008 0.000 0.819 227 A HN 0.626 nan 8.150 nan 0.000 0.442 228 E N -0.778 119.434 120.200 0.020 0.000 2.204 228 E HA -0.110 4.233 4.350 -0.011 0.000 0.194 228 E C 1.981 178.591 176.600 0.018 0.000 0.989 228 E CA 1.500 57.922 56.400 0.037 0.000 0.824 228 E CB -0.076 29.674 29.700 0.084 0.000 0.756 228 E HN 0.836 nan 8.360 nan 0.000 0.477 229 T N -4.202 110.352 114.554 -0.001 0.000 3.014 229 T HA 0.242 4.586 4.350 -0.011 0.000 0.250 229 T C 1.619 176.316 174.700 -0.006 0.000 1.060 229 T CA 0.411 62.508 62.100 -0.005 0.000 1.040 229 T CB 0.722 69.582 68.868 -0.013 0.000 0.971 229 T HN 0.219 nan 8.240 nan 0.000 0.497 230 G N 0.871 109.664 108.800 -0.013 0.000 2.184 230 G HA2 -0.226 3.728 3.960 -0.011 0.000 0.264 230 G HA3 -0.226 3.728 3.960 -0.011 0.000 0.264 230 G C 0.037 174.926 174.900 -0.017 0.000 0.975 230 G CA 0.194 45.287 45.100 -0.011 0.000 0.642 230 G HN 0.792 nan 8.290 nan 0.000 0.536 231 V N 2.067 121.963 119.914 -0.029 0.000 2.513 231 V HA 0.569 4.683 4.120 -0.011 0.000 0.299 231 V C -1.749 174.301 176.094 -0.073 0.000 1.035 231 V CA -1.899 60.379 62.300 -0.037 0.000 0.889 231 V CB 1.997 33.804 31.823 -0.026 0.000 0.988 231 V HN 0.138 nan 8.190 nan 0.000 0.440 232 P HA 0.173 nan 4.420 nan 0.000 0.263 232 P C -0.842 176.364 177.300 -0.156 0.000 1.195 232 P CA 0.006 63.035 63.100 -0.119 0.000 0.762 232 P CB 0.602 32.238 31.700 -0.106 0.000 0.799 233 K N 3.148 123.403 120.400 -0.241 0.000 2.238 233 K HA 0.656 4.970 4.320 -0.011 0.000 0.239 233 K C 0.048 176.460 176.600 -0.314 0.000 0.987 233 K CA -0.984 55.096 56.287 -0.345 0.000 0.857 233 K CB 2.023 34.067 32.500 -0.760 0.000 1.154 233 K HN 0.459 nan 8.250 nan 0.000 0.439 234 I N 1.262 121.750 120.570 -0.137 0.000 2.619 234 I HA 0.186 4.350 4.170 -0.011 0.000 0.292 234 I C -1.436 174.915 176.117 0.390 0.000 1.100 234 I CA -1.103 60.214 61.300 0.028 0.000 1.043 234 I CB 2.058 40.046 38.000 -0.020 0.000 1.239 234 I HN 0.472 nan 8.210 nan 0.000 0.420 235 Y N 7.426 127.861 120.300 0.226 0.000 2.331 235 Y HA 0.540 5.083 4.550 -0.012 0.000 0.338 235 Y C -1.260 174.763 175.900 0.204 0.000 0.976 235 Y CA -1.069 57.264 58.100 0.388 0.000 1.137 235 Y CB 1.362 40.038 38.460 0.360 0.000 1.172 235 Y HN 0.429 nan 8.280 nan 0.000 0.478 236 L N 7.292 128.317 121.223 -0.329 0.000 2.287 236 L HA 0.711 5.045 4.340 -0.011 0.000 0.280 236 L C -0.544 175.951 176.870 -0.625 0.000 1.055 236 L CA -0.469 54.164 54.840 -0.345 0.000 0.863 236 L CB -0.105 41.953 42.059 -0.003 0.000 1.245 236 L HN 0.774 nan 8.230 nan 0.000 0.432 237 A N 4.039 126.424 122.820 -0.725 0.000 2.289 237 A HA 0.393 4.706 4.320 -0.011 0.000 0.298 237 A C -0.011 177.475 177.584 -0.164 0.000 1.208 237 A CA -0.532 51.204 52.037 -0.502 0.000 0.845 237 A CB -0.024 18.777 19.000 -0.332 0.000 1.125 237 A HN 0.784 nan 8.150 nan 0.000 0.517 238 N N 1.734 120.384 118.700 -0.083 0.000 2.420 238 N HA 0.342 5.076 4.740 -0.011 0.000 0.262 238 N C 0.194 175.691 175.510 -0.023 0.000 1.144 238 N CA -0.198 52.835 53.050 -0.027 0.000 0.952 238 N CB 0.173 38.649 38.487 -0.018 0.000 1.081 238 N HN 0.569 nan 8.380 nan 0.000 0.480 239 I N -0.107 120.464 120.570 0.002 0.000 3.762 239 I HA 0.334 4.498 4.170 -0.011 0.000 0.333 239 I C -0.350 175.775 176.117 0.012 0.000 1.566 239 I CA -0.650 60.654 61.300 0.005 0.000 1.129 239 I CB 0.354 38.369 38.000 0.025 0.000 1.218 239 I HN 0.179 nan 8.210 nan 0.000 0.456 240 T N 2.602 117.161 114.554 0.009 0.000 2.829 240 T HA 0.162 4.506 4.350 -0.011 0.000 0.293 240 T C -0.199 174.497 174.700 -0.007 0.000 0.970 240 T CA 0.707 62.812 62.100 0.009 0.000 1.168 240 T CB 0.322 69.192 68.868 0.003 0.000 0.911 240 T HN 0.492 nan 8.240 nan 0.000 0.535 241 D N 0.843 121.241 120.400 -0.004 0.000 2.738 241 D HA 0.065 4.699 4.640 -0.011 0.000 0.308 241 D C -0.964 175.329 176.300 -0.011 0.000 1.311 241 D CA -0.613 53.380 54.000 -0.012 0.000 0.799 241 D CB 1.363 42.153 40.800 -0.018 0.000 1.332 241 D HN 0.269 nan 8.370 nan 0.000 0.441 242 E N 0.736 120.928 120.200 -0.015 0.000 2.452 242 E HA 0.022 4.365 4.350 -0.011 0.000 0.261 242 E C 1.434 178.023 176.600 -0.017 0.000 0.987 242 E CA 0.143 56.534 56.400 -0.015 0.000 0.926 242 E CB 1.142 30.833 29.700 -0.016 0.000 0.934 242 E HN 0.225 nan 8.360 nan 0.000 0.452 243 V N 3.509 123.412 119.914 -0.018 0.000 2.277 243 V HA -0.381 3.733 4.120 -0.011 0.000 0.253 243 V C 1.820 177.895 176.094 -0.032 0.000 1.067 243 V CA 2.620 64.907 62.300 -0.022 0.000 1.047 243 V CB -0.725 31.086 31.823 -0.021 0.000 0.649 243 V HN 0.698 nan 8.190 nan 0.000 0.447 244 D N -0.171 120.210 120.400 -0.031 0.000 2.178 244 D HA -0.203 4.431 4.640 -0.011 0.000 0.201 244 D C 2.061 178.336 176.300 -0.042 0.000 0.980 244 D CA 1.121 55.098 54.000 -0.038 0.000 0.842 244 D CB -0.491 40.290 40.800 -0.030 0.000 0.948 244 D HN 0.336 nan 8.370 nan 0.000 0.472 245 R N -0.123 120.358 120.500 -0.032 0.000 2.307 245 R HA 0.181 4.514 4.340 -0.011 0.000 0.199 245 R C 2.135 178.419 176.300 -0.027 0.000 1.000 245 R CA -0.089 55.993 56.100 -0.029 0.000 1.023 245 R CB -0.164 30.123 30.300 -0.023 0.000 0.908 245 R HN 0.330 nan 8.270 nan 0.000 0.473 246 L N -0.076 121.128 121.223 -0.032 0.000 2.012 246 L HA -0.218 4.116 4.340 -0.011 0.000 0.210 246 L C 2.168 179.021 176.870 -0.028 0.000 1.073 246 L CA 1.611 56.438 54.840 -0.021 0.000 0.748 246 L CB -0.583 41.461 42.059 -0.026 0.000 0.891 246 L HN 0.154 nan 8.230 nan 0.000 0.431 247 T N -1.137 113.352 114.554 -0.107 0.000 2.746 247 T HA -0.242 4.102 4.350 -0.011 0.000 0.267 247 T C 1.773 176.438 174.700 -0.058 0.000 1.039 247 T CA 1.450 63.421 62.100 -0.215 0.000 1.142 247 T CB -0.120 68.496 68.868 -0.420 0.000 0.866 247 T HN 0.366 nan 8.240 nan 0.000 0.444 248 E N 0.590 120.769 120.200 -0.035 0.000 2.058 248 E HA -0.135 4.208 4.350 -0.011 0.000 0.194 248 E C 2.124 178.747 176.600 0.037 0.000 0.997 248 E CA 1.035 57.440 56.400 0.008 0.000 0.801 248 E CB -0.177 29.517 29.700 -0.009 0.000 0.746 248 E HN 0.452 nan 8.360 nan 0.000 0.450 249 L N 0.366 121.608 121.223 0.032 0.000 2.156 249 L HA -0.155 4.179 4.340 -0.011 0.000 0.208 249 L C 2.850 179.756 176.870 0.061 0.000 1.095 249 L CA 0.980 55.839 54.840 0.032 0.000 0.770 249 L CB -0.821 41.247 42.059 0.015 0.000 0.914 249 L HN 0.360 nan 8.230 nan 0.000 0.439 250 H N 1.091 120.172 119.070 0.019 0.000 2.289 250 H HA -0.218 4.331 4.556 -0.011 0.000 0.296 250 H C 1.500 176.869 175.328 0.069 0.000 1.091 250 H CA 2.371 58.452 56.048 0.055 0.000 1.274 250 H CB 0.132 29.954 29.762 0.100 0.000 1.364 250 H HN 0.323 nan 8.280 nan 0.000 0.490 251 D N 0.380 120.876 120.400 0.160 0.000 2.097 251 D HA -0.111 4.523 4.640 -0.011 0.000 0.197 251 D C 2.648 178.946 176.300 -0.004 0.000 0.984 251 D CA 1.082 55.145 54.000 0.105 0.000 0.826 251 D CB -0.519 40.394 40.800 0.189 0.000 0.973 251 D HN 0.220 nan 8.370 nan 0.000 0.460 252 V N 1.418 121.337 119.914 0.009 0.000 2.282 252 V HA -0.287 3.827 4.120 -0.011 0.000 0.249 252 V C 2.482 178.565 176.094 -0.018 0.000 1.057 252 V CA 2.081 64.379 62.300 -0.005 0.000 1.032 252 V CB -0.843 30.978 31.823 -0.003 0.000 0.645 252 V HN 0.219 nan 8.190 nan 0.000 0.447 253 A N -0.673 122.128 122.820 -0.032 0.000 1.873 253 A HA -0.149 4.164 4.320 -0.011 0.000 0.215 253 A C 2.395 179.952 177.584 -0.045 0.000 1.186 253 A CA 2.025 54.052 52.037 -0.017 0.000 0.616 253 A CB -0.726 18.257 19.000 -0.028 0.000 0.823 253 A HN 0.310 nan 8.150 nan 0.000 0.442 254 V N -0.022 119.799 119.914 -0.155 0.000 2.295 254 V HA -0.262 3.852 4.120 -0.011 0.000 0.246 254 V C 3.076 179.130 176.094 -0.067 0.000 1.049 254 V CA 1.968 64.173 62.300 -0.157 0.000 1.024 254 V CB -1.207 30.421 31.823 -0.325 0.000 0.648 254 V HN 0.621 nan 8.190 nan 0.000 0.447 255 A N -0.084 122.705 122.820 -0.051 0.000 2.032 255 A HA -0.262 4.052 4.320 -0.011 0.000 0.221 255 A C 1.931 179.509 177.584 -0.009 0.000 1.165 255 A CA 2.137 54.163 52.037 -0.018 0.000 0.645 255 A CB -0.585 18.411 19.000 -0.007 0.000 0.807 255 A HN 0.643 nan 8.150 nan 0.000 0.453 256 N N -1.469 117.230 118.700 -0.002 0.000 2.336 256 N HA 0.161 4.894 4.740 -0.011 0.000 0.189 256 N C 0.959 176.484 175.510 0.026 0.000 1.113 256 N CA 0.938 53.994 53.050 0.011 0.000 0.858 256 N CB 0.618 39.115 38.487 0.016 0.000 0.970 256 N HN 0.646 nan 8.380 nan 0.000 0.471 257 G N 0.327 109.146 108.800 0.031 0.000 2.154 257 G HA2 -0.192 3.761 3.960 -0.011 0.000 0.186 257 G HA3 -0.192 3.761 3.960 -0.011 0.000 0.186 257 G C 0.122 175.089 174.900 0.112 0.000 1.000 257 G CA -0.060 45.063 45.100 0.040 0.000 0.664 257 G HN 0.459 nan 8.290 nan 0.000 0.513 258 A N 0.513 123.415 122.820 0.136 0.000 2.491 258 A HA 0.632 4.945 4.320 -0.011 0.000 0.261 258 A C 1.636 179.233 177.584 0.022 0.000 1.101 258 A CA 1.357 53.484 52.037 0.149 0.000 0.772 258 A CB 0.582 19.608 19.000 0.043 0.000 1.043 258 A HN 1.468 nan 8.150 nan 0.000 0.501 259 G N 1.427 110.238 108.800 0.018 0.000 2.494 259 G HA2 0.429 4.383 3.960 -0.011 0.000 0.216 259 G HA3 0.429 4.383 3.960 -0.011 0.000 0.216 259 G C 0.528 175.382 174.900 -0.076 0.000 1.140 259 G CA 1.080 46.157 45.100 -0.038 0.000 0.801 259 G HN 1.600 nan 8.290 nan 0.000 0.536 260 A N -0.958 121.818 122.820 -0.073 0.000 2.612 260 A HA 0.723 5.037 4.320 -0.011 0.000 0.293 260 A C -1.581 175.974 177.584 -0.048 0.000 1.075 260 A CA -0.620 51.386 52.037 -0.051 0.000 0.680 260 A CB 0.888 19.868 19.000 -0.033 0.000 1.279 260 A HN 0.132 nan 8.150 nan 0.000 0.411 261 L N 0.932 122.167 121.223 0.021 0.000 2.346 261 L HA 0.693 5.027 4.340 -0.011 0.000 0.274 261 L C -0.888 176.036 176.870 0.089 0.000 1.007 261 L CA -0.880 53.981 54.840 0.035 0.000 0.818 261 L CB 1.813 43.925 42.059 0.087 0.000 1.284 261 L HN 0.700 nan 8.230 nan 0.000 0.424 262 L N 4.035 125.298 121.223 0.067 0.000 2.313 262 L HA 0.671 5.005 4.340 -0.011 0.000 0.283 262 L C -0.999 175.943 176.870 0.120 0.000 1.013 262 L CA 0.134 55.037 54.840 0.105 0.000 0.816 262 L CB 1.326 43.432 42.059 0.079 0.000 1.236 262 L HN 0.407 nan 8.230 nan 0.000 0.419 263 I N 4.112 124.791 120.570 0.183 0.000 2.545 263 I HA 0.393 4.556 4.170 -0.011 0.000 0.292 263 I C -0.539 175.652 176.117 0.124 0.000 1.040 263 I CA -0.759 60.648 61.300 0.178 0.000 1.068 263 I CB 1.852 40.025 38.000 0.288 0.000 1.251 263 I HN 0.527 nan 8.210 nan 0.000 0.424 264 N N 4.867 123.613 118.700 0.077 0.000 2.421 264 N HA 0.177 4.910 4.740 -0.011 0.000 0.260 264 N C 0.909 176.459 175.510 0.066 0.000 1.173 264 N CA -0.003 53.073 53.050 0.044 0.000 0.960 264 N CB 1.379 39.869 38.487 0.005 0.000 1.273 264 N HN 0.789 nan 8.380 nan 0.000 0.497 265 A N 3.468 126.315 122.820 0.045 0.000 1.884 265 A HA -0.227 4.087 4.320 -0.011 0.000 0.219 265 A C 2.086 179.736 177.584 0.109 0.000 1.197 265 A CA 1.342 53.441 52.037 0.104 0.000 0.637 265 A CB -0.213 18.761 19.000 -0.044 0.000 0.827 265 A HN 0.484 nan 8.150 nan 0.000 0.450 266 M N -0.873 118.776 119.600 0.081 0.000 2.081 266 M HA -0.028 4.446 4.480 -0.011 0.000 0.261 266 M C -0.183 176.055 176.300 -0.102 0.000 1.075 266 M CA 1.423 56.745 55.300 0.036 0.000 1.133 266 M CB -2.411 30.262 32.600 0.123 0.000 1.330 266 M HN 0.141 nan 8.290 nan 0.000 0.414 267 P HA -0.129 nan 4.420 nan 0.000 0.216 267 P C 1.665 178.919 177.300 -0.076 0.000 1.153 267 P CA 1.605 64.621 63.100 -0.140 0.000 0.858 267 P CB -0.395 31.266 31.700 -0.065 0.000 0.789 268 V N -4.528 115.375 119.914 -0.018 0.000 2.591 268 V HA 0.306 4.420 4.120 -0.011 0.000 0.249 268 V C 1.002 177.097 176.094 0.001 0.000 1.053 268 V CA 0.830 63.131 62.300 0.002 0.000 1.068 268 V CB -1.529 30.316 31.823 0.036 0.000 0.689 268 V HN 0.300 nan 8.190 nan 0.000 0.462 269 G N -0.542 108.266 108.800 0.012 0.000 3.067 269 G HA2 -0.117 3.836 3.960 -0.011 0.000 0.686 269 G HA3 -0.117 3.836 3.960 -0.011 0.000 0.686 269 G C -0.312 174.623 174.900 0.058 0.000 1.119 269 G CA -0.143 44.968 45.100 0.018 0.000 0.790 269 G HN 0.307 nan 8.290 nan 0.000 0.605 270 L N 1.302 122.570 121.223 0.075 0.000 2.131 270 L HA -0.079 4.254 4.340 -0.011 0.000 0.210 270 L C 3.037 179.940 176.870 0.056 0.000 1.092 270 L CA 1.986 56.887 54.840 0.102 0.000 0.759 270 L CB -0.401 41.723 42.059 0.108 0.000 0.903 270 L HN 0.732 nan 8.230 nan 0.000 0.435 271 S N -0.215 115.508 115.700 0.039 0.000 2.368 271 S HA -0.200 4.264 4.470 -0.011 0.000 0.225 271 S C 2.151 176.753 174.600 0.004 0.000 1.030 271 S CA 1.269 59.483 58.200 0.024 0.000 0.999 271 S CB -0.024 63.187 63.200 0.020 0.000 0.844 271 S HN 0.469 nan 8.310 nan 0.000 0.459 272 A N 0.910 123.733 122.820 0.005 0.000 1.883 272 A HA -0.060 4.253 4.320 -0.011 0.000 0.217 272 A C 2.346 179.915 177.584 -0.025 0.000 1.186 272 A CA 1.968 54.000 52.037 -0.008 0.000 0.624 272 A CB -1.227 17.775 19.000 0.003 0.000 0.822 272 A HN 0.450 nan 8.150 nan 0.000 0.444 273 V N -0.012 119.888 119.914 -0.022 0.000 2.282 273 V HA -0.299 3.815 4.120 -0.011 0.000 0.249 273 V C 2.665 178.669 176.094 -0.150 0.000 1.057 273 V CA 2.381 64.611 62.300 -0.116 0.000 1.032 273 V CB -0.786 30.926 31.823 -0.185 0.000 0.645 273 V HN 0.600 nan 8.190 nan 0.000 0.447 274 R N -0.679 119.764 120.500 -0.095 0.000 2.127 274 R HA -0.194 4.140 4.340 -0.011 0.000 0.238 274 R C 2.284 178.546 176.300 -0.064 0.000 1.134 274 R CA 1.943 58.000 56.100 -0.071 0.000 0.975 274 R CB -0.239 30.055 30.300 -0.010 0.000 0.865 274 R HN 0.548 nan 8.270 nan 0.000 0.447 275 M N 0.156 119.722 119.600 -0.056 0.000 2.236 275 M HA -0.129 4.344 4.480 -0.011 0.000 0.266 275 M C 1.888 178.151 176.300 -0.060 0.000 1.070 275 M CA 1.236 56.504 55.300 -0.053 0.000 1.137 275 M CB -0.035 32.536 32.600 -0.048 0.000 1.378 275 M HN 0.198 nan 8.290 nan 0.000 0.426 276 L N 1.215 122.394 121.223 -0.073 0.000 2.093 276 L HA -0.142 4.192 4.340 -0.011 0.000 0.208 276 L C 2.526 179.358 176.870 -0.064 0.000 1.085 276 L CA 1.863 56.658 54.840 -0.074 0.000 0.755 276 L CB -0.822 41.199 42.059 -0.064 0.000 0.904 276 L HN 0.352 nan 8.230 nan 0.000 0.435 277 R N 0.217 120.662 120.500 -0.091 0.000 2.139 277 R HA -0.201 4.133 4.340 -0.011 0.000 0.243 277 R C 2.076 178.335 176.300 -0.069 0.000 1.145 277 R CA 1.835 57.881 56.100 -0.090 0.000 0.976 277 R CB -0.437 29.789 30.300 -0.123 0.000 0.866 277 R HN 0.341 nan 8.270 nan 0.000 0.449 278 K N -1.188 119.180 120.400 -0.054 0.000 2.362 278 K HA -0.136 4.178 4.320 -0.011 0.000 0.200 278 K C 1.607 178.193 176.600 -0.023 0.000 1.046 278 K CA 1.321 57.582 56.287 -0.043 0.000 0.952 278 K CB -0.095 32.385 32.500 -0.033 0.000 0.753 278 K HN 0.394 nan 8.250 nan 0.000 0.466 279 H N -0.802 118.179 119.070 -0.148 0.000 3.017 279 H HA 0.304 4.853 4.556 -0.011 0.000 0.255 279 H C -0.222 174.915 175.328 -0.318 0.000 0.990 279 H CA 0.089 56.018 56.048 -0.197 0.000 1.205 279 H CB 0.559 30.201 29.762 -0.201 0.000 1.460 279 H HN 0.037 nan 8.280 nan 0.000 0.478 280 A N 0.959 123.668 122.820 -0.185 0.000 2.407 280 A HA 0.285 4.598 4.320 -0.011 0.000 0.248 280 A C 1.377 178.988 177.584 0.045 0.000 1.082 280 A CA 0.517 52.434 52.037 -0.200 0.000 0.785 280 A CB 0.117 19.140 19.000 0.037 0.000 1.020 280 A HN 0.525 nan 8.150 nan 0.000 0.489 281 T N -1.356 113.399 114.554 0.335 0.000 2.985 281 T HA 0.352 4.696 4.350 -0.011 0.000 0.254 281 T C 0.457 175.358 174.700 0.334 0.000 1.021 281 T CA 0.652 62.911 62.100 0.265 0.000 0.957 281 T CB -0.978 68.012 68.868 0.203 0.000 1.047 281 T HN 1.385 nan 8.240 nan 0.000 0.511 282 V N -1.957 118.149 119.914 0.321 0.000 3.166 282 V HA 0.798 4.912 4.120 -0.011 0.000 0.317 282 V C -3.150 173.062 176.094 0.196 0.000 1.136 282 V CA -3.278 59.108 62.300 0.143 0.000 1.035 282 V CB 1.246 33.078 31.823 0.016 0.000 1.110 282 V HN -0.151 nan 8.190 nan 0.000 0.450 283 P HA 0.330 nan 4.420 nan 0.000 0.269 283 P C -0.887 176.499 177.300 0.144 0.000 1.209 283 P CA 0.119 63.239 63.100 0.033 0.000 0.776 283 P CB 0.254 31.838 31.700 -0.193 0.000 0.876 284 L N 3.216 124.565 121.223 0.211 0.000 2.317 284 L HA 0.532 4.865 4.340 -0.011 0.000 0.281 284 L C -0.028 177.073 176.870 0.385 0.000 1.024 284 L CA -0.661 54.318 54.840 0.232 0.000 0.810 284 L CB 1.035 43.139 42.059 0.076 0.000 1.240 284 L HN 0.226 nan 8.230 nan 0.000 0.427 285 I N 2.237 123.045 120.570 0.396 0.000 2.498 285 I HA 0.520 4.684 4.170 -0.011 0.000 0.290 285 I C -0.066 176.098 176.117 0.078 0.000 1.032 285 I CA -0.066 61.384 61.300 0.249 0.000 1.073 285 I CB 2.101 40.180 38.000 0.131 0.000 1.251 285 I HN 0.606 nan 8.210 nan 0.000 0.426 286 A N 5.423 128.001 122.820 -0.403 0.000 2.290 286 A HA 0.572 4.886 4.320 -0.011 0.000 0.310 286 A C -0.522 176.856 177.584 -0.343 0.000 1.202 286 A CA -0.330 51.249 52.037 -0.763 0.000 0.837 286 A CB 0.301 18.358 19.000 -1.571 0.000 1.139 286 A HN 0.706 nan 8.150 nan 0.000 0.509 287 H N 1.203 120.143 119.070 -0.216 0.000 2.500 287 H HA 0.462 5.013 4.556 -0.008 0.000 0.351 287 H C -0.004 175.274 175.328 -0.083 0.000 1.281 287 H CA -0.169 55.788 56.048 -0.152 0.000 1.368 287 H CB 1.159 30.801 29.762 -0.202 0.000 1.616 287 H HN 0.700 nan 8.280 nan 0.000 0.591 288 F N -0.814 119.246 119.950 0.184 0.000 2.654 288 F HA 0.402 4.921 4.527 -0.014 0.000 0.303 288 F C -2.318 173.505 175.800 0.039 0.000 1.099 288 F CA -1.624 56.401 58.000 0.042 0.000 1.270 288 F CB -0.746 38.239 39.000 -0.025 0.000 1.024 288 F HN 0.100 nan 8.300 nan 0.000 0.548 289 P HA -0.046 nan 4.420 nan 0.000 0.264 289 P C 0.297 177.710 177.300 0.188 0.000 1.183 289 P CA 0.766 63.854 63.100 -0.020 0.000 0.763 289 P CB 0.972 32.633 31.700 -0.064 0.000 0.807 290 F N 1.169 121.098 119.950 -0.036 0.000 2.464 290 F HA -0.344 4.179 4.527 -0.007 0.000 0.677 290 F C 1.758 177.436 175.800 -0.202 0.000 0.491 290 F CA 1.308 59.279 58.000 -0.048 0.000 1.058 290 F CB -1.830 37.185 39.000 0.025 0.000 1.860 290 F HN 0.207 nan 8.300 nan 0.000 0.265 291 I N 1.022 121.578 120.570 -0.023 0.000 2.182 291 I HA -0.444 3.720 4.170 -0.011 0.000 0.248 291 I C 2.580 178.233 176.117 -0.773 0.000 1.073 291 I CA 1.872 62.874 61.300 -0.497 0.000 1.335 291 I CB -0.896 37.007 38.000 -0.161 0.000 1.031 291 I HN 0.496 nan 8.210 nan 0.000 0.420 292 A N 0.726 123.316 122.820 -0.383 0.000 1.917 292 A HA -0.236 4.077 4.320 -0.011 0.000 0.219 292 A C 2.588 179.954 177.584 -0.362 0.000 1.182 292 A CA 2.091 53.940 52.037 -0.312 0.000 0.633 292 A CB -0.950 17.958 19.000 -0.154 0.000 0.819 292 A HN 0.484 nan 8.150 nan 0.000 0.448 293 A N -0.496 122.048 122.820 -0.460 0.000 1.958 293 A HA -0.088 4.226 4.320 -0.011 0.000 0.221 293 A C 1.719 179.202 177.584 -0.168 0.000 1.178 293 A CA 1.911 53.723 52.037 -0.375 0.000 0.642 293 A CB -0.797 17.826 19.000 -0.628 0.000 0.816 293 A HN 1.248 nan 8.150 nan 0.000 0.453 294 F N -1.787 118.112 119.950 -0.086 0.000 2.682 294 F HA 0.346 4.869 4.527 -0.008 0.000 0.308 294 F C 1.471 177.281 175.800 0.018 0.000 1.093 294 F CA 0.421 58.418 58.000 -0.004 0.000 1.244 294 F CB -0.416 38.600 39.000 0.026 0.000 1.052 294 F HN 0.116 nan 8.300 nan 0.000 0.573 295 S N -0.573 115.061 115.700 -0.110 0.000 2.520 295 S HA 0.165 4.628 4.470 -0.011 0.000 0.219 295 S C 1.903 176.457 174.600 -0.077 0.000 1.028 295 S CA 0.003 58.180 58.200 -0.038 0.000 0.921 295 S CB -0.239 62.883 63.200 -0.131 0.000 0.844 295 S HN 0.400 nan 8.310 nan 0.000 0.495 296 R N 0.966 121.412 120.500 -0.089 0.000 2.061 296 R HA 0.149 4.482 4.340 -0.011 0.000 0.230 296 R C 0.515 176.793 176.300 -0.037 0.000 1.140 296 R CA 0.724 56.775 56.100 -0.082 0.000 0.940 296 R CB -0.412 29.839 30.300 -0.081 0.000 0.839 296 R HN 0.307 nan 8.270 nan 0.000 0.429 297 L N 1.736 122.970 121.223 0.018 0.000 2.540 297 L HA -0.034 4.299 4.340 -0.011 0.000 0.276 297 L C 1.407 178.315 176.870 0.064 0.000 1.212 297 L CA 0.547 55.420 54.840 0.055 0.000 0.893 297 L CB 0.964 43.088 42.059 0.108 0.000 1.138 297 L HN 0.477 nan 8.230 nan 0.000 0.491 298 A N 4.287 127.138 122.820 0.051 0.000 2.015 298 A HA -0.141 4.173 4.320 -0.011 0.000 0.219 298 A C 1.530 179.172 177.584 0.097 0.000 1.163 298 A CA 1.391 53.458 52.037 0.051 0.000 0.646 298 A CB -0.350 18.679 19.000 0.048 0.000 0.806 298 A HN 0.913 nan 8.150 nan 0.000 0.448 299 N N -2.699 116.083 118.700 0.136 0.000 2.236 299 N HA 0.079 4.813 4.740 -0.011 0.000 0.196 299 N C -0.336 175.344 175.510 0.283 0.000 1.114 299 N CA 0.039 53.196 53.050 0.179 0.000 0.859 299 N CB 0.155 38.737 38.487 0.158 0.000 0.982 299 N HN 0.445 nan 8.380 nan 0.000 0.493 300 Y N -0.377 119.990 120.300 0.112 0.000 2.519 300 Y HA 0.486 5.029 4.550 -0.012 0.000 0.336 300 Y C 0.432 176.443 175.900 0.185 0.000 1.089 300 Y CA 0.462 58.652 58.100 0.151 0.000 1.025 300 Y CB 1.424 39.948 38.460 0.106 0.000 1.318 300 Y HN 0.268 nan 8.280 nan 0.000 0.452 301 G N 3.422 111.991 108.800 -0.384 0.000 2.516 301 G HA2 -0.114 3.840 3.960 -0.011 0.000 0.220 301 G HA3 -0.114 3.840 3.960 -0.011 0.000 0.220 301 G C -1.644 173.334 174.900 0.130 0.000 1.165 301 G CA -0.344 44.706 45.100 -0.084 0.000 1.013 301 G HN 0.802 nan 8.290 nan 0.000 0.590 302 I N 0.831 121.546 120.570 0.242 0.000 2.499 302 I HA 0.342 4.505 4.170 -0.011 0.000 0.288 302 I C 0.168 176.455 176.117 0.283 0.000 1.048 302 I CA -0.964 60.481 61.300 0.242 0.000 1.062 302 I CB 1.936 40.067 38.000 0.218 0.000 1.238 302 I HN 0.680 nan 8.210 nan 0.000 0.426 303 H N 4.908 124.034 119.070 0.093 0.000 3.034 303 H HA 0.010 4.561 4.556 -0.009 0.000 0.324 303 H C 1.177 176.544 175.328 0.065 0.000 1.015 303 H CA 0.564 56.642 56.048 0.050 0.000 1.429 303 H CB 1.313 31.077 29.762 0.003 0.000 1.429 303 H HN 0.799 nan 8.280 nan 0.000 0.585 304 S N 5.091 120.988 115.700 0.328 0.000 2.419 304 S HA -0.205 4.258 4.470 -0.011 0.000 0.235 304 S C 2.106 176.827 174.600 0.202 0.000 1.019 304 S CA 1.000 59.325 58.200 0.207 0.000 0.982 304 S CB -0.142 63.072 63.200 0.024 0.000 0.789 304 S HN 0.776 nan 8.310 nan 0.000 0.490 305 R N 1.557 122.215 120.500 0.263 0.000 2.103 305 R HA -0.116 4.218 4.340 -0.011 0.000 0.242 305 R C 1.903 178.184 176.300 -0.032 0.000 1.142 305 R CA 1.912 57.979 56.100 -0.054 0.000 0.960 305 R CB -0.977 29.056 30.300 -0.445 0.000 0.858 305 R HN 0.415 nan 8.270 nan 0.000 0.439 306 V N 1.509 121.420 119.914 -0.005 0.000 2.332 306 V HA -0.286 3.827 4.120 -0.011 0.000 0.248 306 V C 2.663 178.809 176.094 0.088 0.000 1.055 306 V CA 1.806 64.120 62.300 0.023 0.000 1.038 306 V CB -0.416 31.424 31.823 0.028 0.000 0.651 306 V HN 0.330 nan 8.190 nan 0.000 0.450 307 M N -0.253 119.430 119.600 0.138 0.000 2.086 307 M HA -0.144 4.329 4.480 -0.011 0.000 0.261 307 M C 2.325 178.688 176.300 0.105 0.000 1.067 307 M CA 2.113 57.509 55.300 0.160 0.000 1.116 307 M CB -1.836 30.895 32.600 0.218 0.000 1.348 307 M HN 0.412 nan 8.290 nan 0.000 0.407 308 T N 0.497 115.092 114.554 0.068 0.000 2.684 308 T HA -0.148 4.196 4.350 -0.011 0.000 0.267 308 T C 2.013 176.746 174.700 0.056 0.000 1.036 308 T CA 1.076 63.200 62.100 0.041 0.000 1.148 308 T CB -0.176 68.699 68.868 0.011 0.000 0.863 308 T HN 0.257 nan 8.240 nan 0.000 0.436 309 R N 0.871 121.408 120.500 0.063 0.000 2.094 309 R HA -0.049 4.284 4.340 -0.011 0.000 0.239 309 R C 2.536 178.876 176.300 0.066 0.000 1.137 309 R CA 1.301 57.456 56.100 0.091 0.000 0.943 309 R CB -1.203 29.190 30.300 0.156 0.000 0.850 309 R HN 0.422 nan 8.270 nan 0.000 0.433 310 L N 0.777 122.047 121.223 0.078 0.000 2.046 310 L HA -0.216 4.117 4.340 -0.011 0.000 0.208 310 L C 2.717 179.617 176.870 0.049 0.000 1.077 310 L CA 1.444 56.298 54.840 0.025 0.000 0.747 310 L CB -0.507 41.593 42.059 0.067 0.000 0.896 310 L HN 0.244 nan 8.230 nan 0.000 0.432 311 Q N -0.394 119.482 119.800 0.126 0.000 2.096 311 Q HA -0.257 4.077 4.340 -0.011 0.000 0.204 311 Q C 2.341 178.508 176.000 0.277 0.000 0.982 311 Q CA 1.752 57.715 55.803 0.268 0.000 0.850 311 Q CB -0.161 28.675 28.738 0.163 0.000 0.901 311 Q HN 0.356 nan 8.270 nan 0.000 0.422 312 R N 0.501 121.085 120.500 0.141 0.000 2.070 312 R HA -0.133 4.201 4.340 -0.011 0.000 0.233 312 R C 2.235 178.547 176.300 0.020 0.000 1.137 312 R CA 1.068 57.228 56.100 0.100 0.000 0.945 312 R CB -0.388 29.948 30.300 0.060 0.000 0.845 312 R HN 0.278 nan 8.270 nan 0.000 0.430 313 L N 0.602 121.778 121.223 -0.078 0.000 2.042 313 L HA -0.178 4.156 4.340 -0.011 0.000 0.210 313 L C 2.437 179.200 176.870 -0.178 0.000 1.076 313 L CA 1.924 56.615 54.840 -0.248 0.000 0.749 313 L CB -0.755 40.987 42.059 -0.528 0.000 0.893 313 L HN 0.463 nan 8.230 nan 0.000 0.432 314 A N -1.092 121.673 122.820 -0.091 0.000 1.902 314 A HA -0.060 4.254 4.320 -0.011 0.000 0.217 314 A C 1.783 179.311 177.584 -0.095 0.000 1.181 314 A CA 1.995 54.005 52.037 -0.046 0.000 0.623 314 A CB -0.499 18.504 19.000 0.005 0.000 0.818 314 A HN 0.610 nan 8.150 nan 0.000 0.443 315 G N -3.507 105.219 108.800 -0.123 0.000 3.732 315 G HA2 0.110 4.064 3.960 -0.011 0.000 0.220 315 G HA3 0.110 4.064 3.960 -0.011 0.000 0.220 315 G C -0.053 174.751 174.900 -0.160 0.000 0.903 315 G CA -0.450 44.557 45.100 -0.155 0.000 0.896 315 G HN 0.193 nan 8.290 nan 0.000 0.685 316 F N 2.082 122.057 119.950 0.040 0.000 2.529 316 F HA 0.287 4.809 4.527 -0.009 0.000 0.365 316 F C 1.297 177.139 175.800 0.071 0.000 1.102 316 F CA 0.216 58.251 58.000 0.058 0.000 1.271 316 F CB 0.898 39.924 39.000 0.044 0.000 1.120 316 F HN -0.028 nan 8.300 nan 0.000 0.579 317 D N 1.615 122.197 120.400 0.303 0.000 2.346 317 D HA 0.075 4.708 4.640 -0.011 0.000 0.206 317 D C -0.138 176.279 176.300 0.194 0.000 1.001 317 D CA 0.896 55.035 54.000 0.232 0.000 0.871 317 D CB 0.781 41.739 40.800 0.263 0.000 0.943 317 D HN 0.078 nan 8.370 nan 0.000 0.518 318 V N 1.371 121.407 119.914 0.203 0.000 2.733 318 V HA 0.247 4.361 4.120 -0.011 0.000 0.306 318 V C -0.447 175.655 176.094 0.013 0.000 1.084 318 V CA -0.809 61.558 62.300 0.111 0.000 0.905 318 V CB 2.930 34.831 31.823 0.130 0.000 1.010 318 V HN -0.271 nan 8.190 nan 0.000 0.424 319 V N 5.878 125.763 119.914 -0.048 0.000 2.350 319 V HA 0.484 4.598 4.120 -0.011 0.000 0.285 319 V C -0.083 175.908 176.094 -0.171 0.000 1.014 319 V CA -0.409 61.808 62.300 -0.138 0.000 0.831 319 V CB 1.554 33.324 31.823 -0.089 0.000 1.000 319 V HN 0.705 nan 8.190 nan 0.000 0.433 320 I N 6.986 127.413 120.570 -0.238 0.000 2.379 320 I HA 0.327 4.490 4.170 -0.011 0.000 0.290 320 I C 0.523 176.594 176.117 -0.077 0.000 1.063 320 I CA 0.283 61.443 61.300 -0.234 0.000 1.351 320 I CB 0.521 38.241 38.000 -0.467 0.000 1.410 320 I HN 0.655 nan 8.210 nan 0.000 0.505 321 M N 7.154 126.619 119.600 -0.224 0.000 2.811 321 M HA 0.719 5.193 4.480 -0.011 0.000 0.303 321 M C -2.837 172.951 176.300 -0.852 0.000 1.227 321 M CA -2.200 52.819 55.300 -0.467 0.000 0.874 321 M CB 1.308 33.707 32.600 -0.335 0.000 1.681 321 M HN 0.003 nan 8.290 nan 0.000 0.500 322 P HA 0.294 nan 4.420 nan 0.000 0.276 322 P C -0.440 176.518 177.300 -0.569 0.000 1.230 322 P CA 0.039 62.603 63.100 -0.893 0.000 0.776 322 P CB 0.932 32.192 31.700 -0.733 0.000 0.888 323 G N 1.622 110.147 108.800 -0.458 0.000 3.019 323 G HA2 0.553 4.507 3.960 -0.011 0.000 0.152 323 G HA3 0.553 4.507 3.960 -0.011 0.000 0.152 323 G C -0.667 173.885 174.900 -0.580 0.000 1.320 323 G CA -0.578 44.166 45.100 -0.594 0.000 1.013 323 G HN 0.333 nan 8.290 nan 0.000 0.593 324 F N -0.341 119.583 119.950 -0.044 0.000 2.362 324 F HA 0.648 5.169 4.527 -0.010 0.000 0.340 324 F C 1.009 176.805 175.800 -0.006 0.000 1.088 324 F CA 0.199 58.185 58.000 -0.023 0.000 1.096 324 F CB 0.288 39.284 39.000 -0.006 0.000 1.486 324 F HN 0.952 nan 8.300 nan 0.000 0.500 325 G N 0.209 109.152 108.800 0.238 0.000 2.721 325 G HA2 -0.067 3.886 3.960 -0.011 0.000 0.686 325 G HA3 -0.067 3.886 3.960 -0.011 0.000 0.686 325 G C -2.496 172.454 174.900 0.082 0.000 1.236 325 G CA -0.642 44.535 45.100 0.128 0.000 0.786 325 G HN 0.476 nan 8.290 nan 0.000 0.616 326 P HA 0.027 nan 4.420 nan 0.000 0.226 326 P C 1.572 178.888 177.300 0.027 0.000 1.161 326 P CA 0.313 63.439 63.100 0.043 0.000 0.804 326 P CB 0.132 31.857 31.700 0.041 0.000 0.829 327 R N -0.110 120.409 120.500 0.031 0.000 2.316 327 R HA -0.028 4.305 4.340 -0.011 0.000 0.232 327 R C 1.221 177.528 176.300 0.011 0.000 1.137 327 R CA 0.940 57.054 56.100 0.023 0.000 1.012 327 R CB -0.360 29.959 30.300 0.031 0.000 0.859 327 R HN 0.148 nan 8.270 nan 0.000 0.474 328 M N -0.780 118.820 119.600 -0.001 0.000 2.382 328 M HA 0.135 4.609 4.480 -0.011 0.000 0.247 328 M C 0.652 176.920 176.300 -0.053 0.000 1.104 328 M CA 0.009 55.288 55.300 -0.035 0.000 1.030 328 M CB -0.109 32.447 32.600 -0.075 0.000 1.424 328 M HN 0.037 nan 8.290 nan 0.000 0.486 329 M N 0.782 120.364 119.600 -0.031 0.000 2.436 329 M HA -0.210 4.263 4.480 -0.011 0.000 0.197 329 M C -0.781 175.483 176.300 -0.060 0.000 0.442 329 M CA 0.776 56.056 55.300 -0.034 0.000 0.473 329 M CB -1.923 30.659 32.600 -0.030 0.000 1.685 329 M HN 0.096 nan 8.290 nan 0.000 0.835 330 T N -0.573 113.935 114.554 -0.078 0.000 2.841 330 T HA 0.558 4.901 4.350 -0.011 0.000 0.285 330 T C -2.299 172.354 174.700 -0.078 0.000 0.991 330 T CA -1.289 60.743 62.100 -0.113 0.000 0.966 330 T CB 1.713 70.470 68.868 -0.186 0.000 0.962 330 T HN -0.098 nan 8.240 nan 0.000 0.438 331 P HA 0.091 nan 4.420 nan 0.000 0.261 331 P C 0.925 178.228 177.300 0.005 0.000 1.173 331 P CA 0.107 63.208 63.100 0.003 0.000 0.760 331 P CB 0.701 32.404 31.700 0.005 0.000 0.783 332 E N 2.995 123.273 120.200 0.129 0.000 2.068 332 E HA -0.318 4.025 4.350 -0.011 0.000 0.207 332 E C 1.817 178.517 176.600 0.167 0.000 1.032 332 E CA 1.967 58.484 56.400 0.195 0.000 0.839 332 E CB -0.422 29.397 29.700 0.198 0.000 0.758 332 E HN 0.649 nan 8.360 nan 0.000 0.457 333 H N -0.596 118.518 119.070 0.075 0.000 2.423 333 H HA -0.036 4.514 4.556 -0.010 0.000 0.297 333 H C 1.949 177.320 175.328 0.072 0.000 1.075 333 H CA 1.596 57.686 56.048 0.070 0.000 1.342 333 H CB -0.356 29.436 29.762 0.052 0.000 1.395 333 H HN 0.264 nan 8.280 nan 0.000 0.530 334 E N 1.104 120.891 120.200 -0.687 0.000 2.058 334 E HA -0.103 4.241 4.350 -0.011 0.000 0.194 334 E C 2.515 179.020 176.600 -0.159 0.000 0.997 334 E CA 1.724 57.865 56.400 -0.431 0.000 0.801 334 E CB -0.036 29.384 29.700 -0.467 0.000 0.746 334 E HN 0.284 nan 8.360 nan 0.000 0.450 335 V N 0.664 120.474 119.914 -0.173 0.000 2.332 335 V HA -0.276 3.837 4.120 -0.011 0.000 0.248 335 V C 2.361 178.393 176.094 -0.103 0.000 1.055 335 V CA 1.719 63.891 62.300 -0.213 0.000 1.038 335 V CB -0.523 31.042 31.823 -0.431 0.000 0.651 335 V HN 0.311 nan 8.190 nan 0.000 0.450 336 L N -0.172 121.060 121.223 0.015 0.000 2.083 336 L HA -0.177 4.156 4.340 -0.011 0.000 0.209 336 L C 2.327 179.214 176.870 0.028 0.000 1.083 336 L CA 1.417 56.297 54.840 0.066 0.000 0.752 336 L CB -0.753 41.377 42.059 0.119 0.000 0.899 336 L HN 0.324 nan 8.230 nan 0.000 0.433 337 D N -0.734 119.676 120.400 0.016 0.000 2.221 337 D HA -0.168 4.466 4.640 -0.011 0.000 0.204 337 D C 2.189 178.472 176.300 -0.029 0.000 0.982 337 D CA 1.129 55.127 54.000 -0.003 0.000 0.857 337 D CB -0.178 40.618 40.800 -0.006 0.000 0.934 337 D HN 0.391 nan 8.370 nan 0.000 0.475 338 C N -0.022 119.263 119.300 -0.024 0.000 2.522 338 C HA 0.089 4.542 4.460 -0.011 0.000 0.280 338 C C 2.797 177.771 174.990 -0.027 0.000 1.303 338 C CA -0.334 58.662 59.018 -0.036 0.000 1.709 338 C CB -0.748 26.952 27.740 -0.067 0.000 2.071 338 C HN 0.296 nan 8.230 nan 0.000 0.492 339 I N 0.948 121.505 120.570 -0.023 0.000 2.118 339 I HA -0.247 3.917 4.170 -0.011 0.000 0.241 339 I C 2.668 178.799 176.117 0.023 0.000 1.070 339 I CA 1.413 62.719 61.300 0.009 0.000 1.327 339 I CB -0.540 37.477 38.000 0.028 0.000 1.034 339 I HN 0.237 nan 8.210 nan 0.000 0.405 340 R N 1.063 121.574 120.500 0.019 0.000 2.113 340 R HA -0.189 4.144 4.340 -0.011 0.000 0.244 340 R C 2.362 178.671 176.300 0.015 0.000 1.142 340 R CA 1.844 57.955 56.100 0.018 0.000 0.953 340 R CB -1.482 28.825 30.300 0.012 0.000 0.860 340 R HN 0.470 nan 8.270 nan 0.000 0.438 341 A N 0.211 123.032 122.820 0.001 0.000 1.940 341 A HA -0.201 4.113 4.320 -0.011 0.000 0.219 341 A C 2.689 180.287 177.584 0.024 0.000 1.176 341 A CA 1.777 53.816 52.037 0.003 0.000 0.631 341 A CB -0.904 18.088 19.000 -0.013 0.000 0.814 341 A HN 0.435 nan 8.150 nan 0.000 0.446 342 C N -1.313 118.002 119.300 0.025 0.000 2.457 342 C HA 0.082 4.535 4.460 -0.011 0.000 0.278 342 C C 2.562 177.581 174.990 0.049 0.000 1.309 342 C CA 1.056 60.098 59.018 0.039 0.000 1.735 342 C CB -1.196 26.567 27.740 0.039 0.000 1.992 342 C HN 0.627 nan 8.230 nan 0.000 0.493 343 L N -0.701 120.551 121.223 0.048 0.000 2.357 343 L HA 0.126 4.460 4.340 -0.011 0.000 0.211 343 L C 0.990 177.888 176.870 0.048 0.000 1.075 343 L CA 0.255 55.127 54.840 0.054 0.000 0.830 343 L CB -0.489 41.606 42.059 0.060 0.000 0.996 343 L HN 0.257 nan 8.230 nan 0.000 0.467 344 E N 1.605 121.829 120.200 0.041 0.000 2.604 344 E HA -0.057 4.287 4.350 -0.011 0.000 0.267 344 E C -2.126 174.499 176.600 0.043 0.000 0.970 344 E CA -1.244 55.179 56.400 0.038 0.000 0.956 344 E CB 0.219 29.939 29.700 0.033 0.000 0.939 344 E HN -0.009 nan 8.360 nan 0.000 0.465 345 P HA -0.033 nan 4.420 nan 0.000 0.267 345 P C -0.600 176.730 177.300 0.050 0.000 1.205 345 P CA 0.624 63.750 63.100 0.043 0.000 0.765 345 P CB 0.424 32.148 31.700 0.040 0.000 0.828 346 M N 3.126 122.758 119.600 0.053 0.000 2.850 346 M HA 0.307 4.780 4.480 -0.011 0.000 0.288 346 M C 0.534 176.871 176.300 0.063 0.000 1.450 346 M CA 0.044 55.385 55.300 0.067 0.000 0.555 346 M CB 0.056 32.696 32.600 0.067 0.000 1.507 346 M HN 0.662 nan 8.290 nan 0.000 0.415 347 G N 3.040 111.878 108.800 0.063 0.000 2.614 347 G HA2 -0.273 3.680 3.960 -0.011 0.000 0.303 347 G HA3 -0.273 3.680 3.960 -0.011 0.000 0.303 347 G C -1.835 173.090 174.900 0.041 0.000 1.270 347 G CA 0.267 45.401 45.100 0.057 0.000 0.988 347 G HN 0.488 nan 8.290 nan 0.000 0.551 348 P HA 0.241 nan 4.420 nan 0.000 0.245 348 P C 0.513 177.822 177.300 0.015 0.000 1.212 348 P CA 0.233 63.345 63.100 0.020 0.000 0.774 348 P CB 0.070 31.779 31.700 0.014 0.000 0.999 349 I N 1.203 121.783 120.570 0.017 0.000 2.396 349 I HA 0.132 4.295 4.170 -0.011 0.000 0.289 349 I C 1.048 177.177 176.117 0.020 0.000 1.056 349 I CA -1.000 60.306 61.300 0.009 0.000 1.365 349 I CB 0.001 37.996 38.000 -0.008 0.000 1.407 349 I HN -0.129 nan 8.210 nan 0.000 0.509 350 K N 7.660 128.072 120.400 0.020 0.000 2.414 350 K HA 0.150 4.463 4.320 -0.011 0.000 0.272 350 K C -2.169 174.458 176.600 0.045 0.000 0.993 350 K CA -1.175 55.132 56.287 0.033 0.000 0.964 350 K CB 0.126 32.647 32.500 0.035 0.000 0.925 350 K HN 0.381 nan 8.250 nan 0.000 0.487 351 P HA 0.017 nan 4.420 nan 0.000 0.271 351 P C -0.158 177.185 177.300 0.073 0.000 1.220 351 P CA -0.433 62.703 63.100 0.060 0.000 0.768 351 P CB 0.297 32.033 31.700 0.060 0.000 0.848 352 C N 3.498 122.845 119.300 0.077 0.000 2.349 352 C HA 0.687 5.140 4.460 -0.011 0.000 0.361 352 C C 0.223 175.264 174.990 0.085 0.000 1.189 352 C CA -1.280 57.794 59.018 0.093 0.000 2.155 352 C CB -0.110 27.697 27.740 0.111 0.000 2.336 352 C HN 0.540 nan 8.230 nan 0.000 0.540 353 L N 3.665 124.943 121.223 0.092 0.000 2.313 353 L HA 0.539 4.873 4.340 -0.011 0.000 0.282 353 L C -2.092 174.820 176.870 0.070 0.000 1.092 353 L CA -1.458 53.435 54.840 0.089 0.000 0.831 353 L CB 0.626 42.746 42.059 0.101 0.000 1.159 353 L HN 0.633 nan 8.230 nan 0.000 0.442 354 P HA 0.193 nan 4.420 nan 0.000 0.285 354 P C -1.336 176.001 177.300 0.062 0.000 1.259 354 P CA -0.272 62.855 63.100 0.045 0.000 0.794 354 P CB 1.584 33.319 31.700 0.058 0.000 0.940 355 V N 4.507 124.399 119.914 -0.037 0.000 2.380 355 V HA 0.236 4.350 4.120 -0.011 0.000 0.268 355 V C -2.433 173.600 176.094 -0.101 0.000 1.008 355 V CA -2.002 60.259 62.300 -0.064 0.000 0.823 355 V CB 1.234 32.872 31.823 -0.308 0.000 1.053 355 V HN 0.428 nan 8.190 nan 0.000 0.446 356 P HA 0.156 nan 4.420 nan 0.000 0.265 356 P C 0.887 178.118 177.300 -0.116 0.000 1.222 356 P CA 0.764 63.767 63.100 -0.160 0.000 0.767 356 P CB 0.903 32.510 31.700 -0.154 0.000 0.801 357 G N 2.908 111.606 108.800 -0.170 0.000 2.608 357 G HA2 0.466 4.419 3.960 -0.011 0.000 0.212 357 G HA3 0.466 4.419 3.960 -0.011 0.000 0.212 357 G C 0.268 175.125 174.900 -0.071 0.000 1.572 357 G CA 0.093 45.155 45.100 -0.065 0.000 1.064 357 G HN 0.827 nan 8.290 nan 0.000 0.556 358 G N -2.436 106.351 108.800 -0.023 0.000 2.690 358 G HA2 0.253 4.206 3.960 -0.011 0.000 0.686 358 G HA3 0.253 4.206 3.960 -0.011 0.000 0.686 358 G C -0.012 174.877 174.900 -0.019 0.000 1.277 358 G CA 0.131 45.225 45.100 -0.009 0.000 0.799 358 G HN 1.681 nan 8.290 nan 0.000 0.613 359 S N 1.342 117.039 115.700 -0.005 0.000 2.700 359 S HA 0.467 4.930 4.470 -0.011 0.000 0.321 359 S C -0.257 174.306 174.600 -0.063 0.000 1.161 359 S CA -0.505 57.675 58.200 -0.034 0.000 1.078 359 S CB 0.830 64.025 63.200 -0.008 0.000 1.302 359 S HN 0.582 nan 8.310 nan 0.000 0.540 360 D N 2.412 122.727 120.400 -0.142 0.000 2.175 360 D HA 0.597 5.230 4.640 -0.011 0.000 0.248 360 D C 0.322 176.506 176.300 -0.193 0.000 1.047 360 D CA -0.086 53.813 54.000 -0.168 0.000 0.883 360 D CB 1.992 42.470 40.800 -0.537 0.000 1.180 360 D HN 0.614 nan 8.370 nan 0.000 0.438 361 S N -0.790 114.902 115.700 -0.012 0.000 2.794 361 S HA 0.609 5.073 4.470 -0.011 0.000 0.299 361 S C 0.910 175.647 174.600 0.229 0.000 1.179 361 S CA -0.415 57.752 58.200 -0.056 0.000 0.838 361 S CB 1.201 64.180 63.200 -0.368 0.000 1.206 361 S HN 0.282 nan 8.310 nan 0.000 0.523 362 A N 0.348 123.283 122.820 0.191 0.000 2.024 362 A HA 0.197 4.510 4.320 -0.011 0.000 0.220 362 A C 2.178 179.879 177.584 0.196 0.000 1.164 362 A CA 2.021 54.176 52.037 0.197 0.000 0.643 362 A CB -1.565 17.543 19.000 0.181 0.000 0.806 362 A HN 1.397 nan 8.150 nan 0.000 0.451 363 A N -0.627 122.322 122.820 0.215 0.000 1.968 363 A HA -0.014 4.300 4.320 -0.011 0.000 0.217 363 A C 2.323 180.016 177.584 0.182 0.000 1.169 363 A CA 2.122 54.272 52.037 0.188 0.000 0.638 363 A CB -0.926 18.196 19.000 0.203 0.000 0.812 363 A HN 0.788 nan 8.150 nan 0.000 0.446 364 T N -2.834 111.862 114.554 0.237 0.000 3.081 364 T HA 0.091 4.435 4.350 -0.011 0.000 0.250 364 T C 1.613 176.490 174.700 0.294 0.000 1.100 364 T CA 0.811 63.065 62.100 0.257 0.000 1.038 364 T CB -0.250 68.780 68.868 0.270 0.000 0.962 364 T HN 0.134 nan 8.240 nan 0.000 0.516 365 L N 1.749 123.123 121.223 0.253 0.000 1.994 365 L HA 0.044 4.378 4.340 -0.011 0.000 0.208 365 L C 2.559 179.503 176.870 0.124 0.000 1.071 365 L CA 2.257 57.104 54.840 0.011 0.000 0.745 365 L CB -0.858 41.091 42.059 -0.184 0.000 0.892 365 L HN 0.406 nan 8.230 nan 0.000 0.431 366 E N -0.553 119.723 120.200 0.127 0.000 2.086 366 E HA -0.330 4.014 4.350 -0.011 0.000 0.200 366 E C 2.153 178.835 176.600 0.138 0.000 1.012 366 E CA 1.795 58.277 56.400 0.137 0.000 0.812 366 E CB -0.354 29.397 29.700 0.084 0.000 0.743 366 E HN 0.652 nan 8.360 nan 0.000 0.453 367 N N -0.108 118.644 118.700 0.087 0.000 2.025 367 N HA -0.180 4.553 4.740 -0.011 0.000 0.194 367 N C 1.982 177.442 175.510 -0.082 0.000 1.044 367 N CA 2.042 55.094 53.050 0.004 0.000 0.851 367 N CB -0.072 38.417 38.487 0.003 0.000 1.036 367 N HN 0.082 nan 8.380 nan 0.000 0.422 368 V N 0.807 120.720 119.914 -0.003 0.000 2.324 368 V HA -0.245 3.869 4.120 -0.011 0.000 0.250 368 V C 2.180 178.114 176.094 -0.266 0.000 1.060 368 V CA 1.884 64.121 62.300 -0.104 0.000 1.042 368 V CB -0.987 30.949 31.823 0.188 0.000 0.650 368 V HN 0.418 nan 8.190 nan 0.000 0.450 369 Y N 1.046 121.251 120.300 -0.157 0.000 2.200 369 Y HA -0.173 4.370 4.550 -0.011 0.000 0.290 369 Y C 2.725 178.590 175.900 -0.059 0.000 1.137 369 Y CA 1.618 59.694 58.100 -0.040 0.000 1.163 369 Y CB -0.262 38.384 38.460 0.310 0.000 0.988 369 Y HN 0.043 nan 8.280 nan 0.000 0.518 370 R N 0.169 120.584 120.500 -0.142 0.000 2.081 370 R HA -0.168 4.165 4.340 -0.011 0.000 0.235 370 R C 2.230 178.356 176.300 -0.289 0.000 1.131 370 R CA 1.909 57.875 56.100 -0.223 0.000 0.960 370 R CB -0.220 30.020 30.300 -0.099 0.000 0.856 370 R HN 0.268 nan 8.270 nan 0.000 0.436 371 K N -0.176 120.016 120.400 -0.346 0.000 2.167 371 K HA -0.017 4.297 4.320 -0.011 0.000 0.203 371 K C 1.887 178.317 176.600 -0.283 0.000 1.052 371 K CA 0.521 56.564 56.287 -0.407 0.000 0.956 371 K CB 0.249 32.251 32.500 -0.830 0.000 0.735 371 K HN -0.045 nan 8.250 nan 0.000 0.451 372 V N -0.588 119.143 119.914 -0.304 0.000 2.591 372 V HA -0.026 4.087 4.120 -0.011 0.000 0.249 372 V C 1.546 177.541 176.094 -0.164 0.000 1.053 372 V CA 1.679 63.858 62.300 -0.201 0.000 1.068 372 V CB -0.116 31.474 31.823 -0.389 0.000 0.689 372 V HN 0.653 nan 8.190 nan 0.000 0.462 373 G N 0.454 109.092 108.800 -0.270 0.000 2.234 373 G HA2 -0.240 3.713 3.960 -0.011 0.000 0.235 373 G HA3 -0.240 3.713 3.960 -0.011 0.000 0.235 373 G C 0.366 175.132 174.900 -0.224 0.000 0.997 373 G CA 0.800 45.761 45.100 -0.231 0.000 0.623 373 G HN 1.245 nan 8.290 nan 0.000 0.514 374 S N -1.922 113.693 115.700 -0.143 0.000 2.661 374 S HA 0.783 5.246 4.470 -0.011 0.000 0.268 374 S C 0.635 175.493 174.600 0.429 0.000 1.162 374 S CA 0.465 58.725 58.200 0.100 0.000 0.817 374 S CB 1.077 64.354 63.200 0.127 0.000 1.141 374 S HN 1.767 nan 8.310 nan 0.000 0.477 375 A N -0.182 122.940 122.820 0.503 0.000 2.259 375 A HA 0.293 4.607 4.320 -0.011 0.000 0.208 375 A C 0.188 177.855 177.584 0.138 0.000 1.201 375 A CA 0.220 52.506 52.037 0.416 0.000 0.824 375 A CB -0.748 18.407 19.000 0.257 0.000 0.838 375 A HN 0.657 nan 8.150 nan 0.000 0.485 376 D N 0.922 121.483 120.400 0.268 0.000 2.713 376 D HA 0.437 5.071 4.640 -0.011 0.000 0.229 376 D C -0.506 175.965 176.300 0.286 0.000 1.136 376 D CA 0.401 54.499 54.000 0.165 0.000 1.010 376 D CB -0.596 40.291 40.800 0.144 0.000 1.084 376 D HN 0.497 nan 8.370 nan 0.000 0.495 377 F N -2.169 117.790 119.950 0.015 0.000 2.711 377 F HA 0.720 5.240 4.527 -0.011 0.000 0.313 377 F C 0.131 175.965 175.800 0.057 0.000 1.141 377 F CA -1.487 56.543 58.000 0.051 0.000 0.941 377 F CB 0.755 39.816 39.000 0.102 0.000 1.349 377 F HN -0.064 nan 8.300 nan 0.000 0.464 378 G N 0.154 109.100 108.800 0.244 0.000 2.488 378 G HA2 0.602 4.555 3.960 -0.011 0.000 0.318 378 G HA3 0.602 4.555 3.960 -0.011 0.000 0.318 378 G C -2.426 172.758 174.900 0.473 0.000 1.188 378 G CA -0.703 44.566 45.100 0.281 0.000 0.944 378 G HN 0.753 nan 8.290 nan 0.000 0.495 379 F N 0.698 120.834 119.950 0.311 0.000 2.585 379 F HA 0.467 4.990 4.527 -0.008 0.000 0.319 379 F C -0.591 175.408 175.800 0.331 0.000 1.165 379 F CA -1.053 57.156 58.000 0.349 0.000 0.949 379 F CB 2.269 41.523 39.000 0.422 0.000 1.218 379 F HN 0.316 nan 8.300 nan 0.000 0.453 380 V N 5.996 125.810 119.914 -0.167 0.000 2.260 380 V HA 0.397 4.511 4.120 -0.011 0.000 0.263 380 V C -2.508 173.467 176.094 -0.197 0.000 1.036 380 V CA -1.595 60.655 62.300 -0.083 0.000 0.874 380 V CB 0.120 31.886 31.823 -0.096 0.000 1.116 380 V HN 0.523 nan 8.190 nan 0.000 0.454 381 P HA 0.460 nan 4.420 nan 0.000 0.276 381 P C 0.699 178.002 177.300 0.005 0.000 1.244 381 P CA 0.226 63.225 63.100 -0.168 0.000 0.801 381 P CB 1.823 33.429 31.700 -0.156 0.000 1.006 382 G N 1.212 110.018 108.800 0.009 0.000 2.508 382 G HA2 0.136 4.089 3.960 -0.011 0.000 0.217 382 G HA3 0.136 4.089 3.960 -0.011 0.000 0.217 382 G C 0.071 175.067 174.900 0.159 0.000 2.004 382 G CA -0.201 44.969 45.100 0.115 0.000 0.750 382 G HN 0.319 nan 8.290 nan 0.000 0.730 383 R N 0.356 120.898 120.500 0.069 0.000 2.734 383 R HA 0.395 4.728 4.340 -0.011 0.000 0.266 383 R C 1.188 177.393 176.300 -0.158 0.000 1.044 383 R CA 1.161 57.292 56.100 0.051 0.000 1.128 383 R CB 0.576 30.919 30.300 0.072 0.000 1.010 383 R HN 0.788 nan 8.270 nan 0.000 0.461 384 G N -0.034 108.625 108.800 -0.236 0.000 2.279 384 G HA2 -0.278 3.676 3.960 -0.011 0.000 0.223 384 G HA3 -0.278 3.676 3.960 -0.011 0.000 0.223 384 G C 0.511 175.335 174.900 -0.126 0.000 1.015 384 G CA 0.213 44.974 45.100 -0.566 0.000 0.621 384 G HN 0.435 nan 8.290 nan 0.000 0.506 385 V N -0.144 119.702 119.914 -0.113 0.000 2.735 385 V HA 0.365 4.479 4.120 -0.011 0.000 0.234 385 V C 1.953 177.874 176.094 -0.288 0.000 1.121 385 V CA 1.683 63.822 62.300 -0.268 0.000 1.160 385 V CB -0.616 30.905 31.823 -0.504 0.000 0.908 385 V HN 0.200 nan 8.190 nan 0.000 0.495 386 F N 1.610 121.573 119.950 0.022 0.000 2.710 386 F HA 0.223 4.744 4.527 -0.010 0.000 0.298 386 F C 2.151 177.996 175.800 0.075 0.000 1.137 386 F CA 1.058 59.072 58.000 0.024 0.000 1.444 386 F CB -0.487 38.498 39.000 -0.025 0.000 1.111 386 F HN 0.248 nan 8.300 nan 0.000 0.580 387 G N -1.907 107.042 108.800 0.248 0.000 2.939 387 G HA2 -0.097 3.856 3.960 -0.011 0.000 0.210 387 G HA3 -0.097 3.856 3.960 -0.011 0.000 0.210 387 G C 0.444 175.547 174.900 0.339 0.000 1.160 387 G CA -0.130 45.134 45.100 0.273 0.000 0.770 387 G HN 0.272 nan 8.290 nan 0.000 0.543 388 H N 1.526 120.743 119.070 0.245 0.000 2.928 388 H HA 0.055 4.605 4.556 -0.011 0.000 0.338 388 H C -1.260 174.122 175.328 0.091 0.000 1.047 388 H CA -0.977 55.207 56.048 0.226 0.000 1.435 388 H CB 1.788 31.641 29.762 0.151 0.000 1.428 388 H HN -0.039 nan 8.280 nan 0.000 0.590 389 P HA -0.159 nan 4.420 nan 0.000 0.216 389 P C 1.385 178.729 177.300 0.074 0.000 1.150 389 P CA 1.622 64.662 63.100 -0.101 0.000 0.843 389 P CB 0.106 31.659 31.700 -0.245 0.000 0.787 390 M N -1.934 117.840 119.600 0.290 0.000 2.618 390 M HA 0.209 4.683 4.480 -0.011 0.000 0.240 390 M C 0.714 177.116 176.300 0.169 0.000 1.123 390 M CA 0.399 55.842 55.300 0.238 0.000 1.060 390 M CB -0.330 32.429 32.600 0.265 0.000 1.535 390 M HN -0.027 nan 8.290 nan 0.000 0.507 391 G N 0.306 109.221 108.800 0.193 0.000 2.663 391 G HA2 -0.135 3.819 3.960 -0.011 0.000 0.686 391 G HA3 -0.135 3.819 3.960 -0.011 0.000 0.686 391 G C -2.762 172.154 174.900 0.028 0.000 1.288 391 G CA -1.161 43.999 45.100 0.101 0.000 0.836 391 G HN 0.028 nan 8.290 nan 0.000 0.584 392 P HA 0.022 nan 4.420 nan 0.000 0.216 392 P C 2.342 179.509 177.300 -0.222 0.000 1.153 392 P CA 2.857 65.858 63.100 -0.165 0.000 0.848 392 P CB -0.050 31.595 31.700 -0.091 0.000 0.787 393 A N 0.350 123.092 122.820 -0.130 0.000 1.892 393 A HA -0.225 4.088 4.320 -0.011 0.000 0.218 393 A C 2.370 179.851 177.584 -0.172 0.000 1.188 393 A CA 2.645 54.602 52.037 -0.132 0.000 0.631 393 A CB -1.721 17.236 19.000 -0.071 0.000 0.822 393 A HN 0.216 nan 8.150 nan 0.000 0.447 394 A N -0.806 121.902 122.820 -0.187 0.000 1.930 394 A HA 0.193 4.506 4.320 -0.011 0.000 0.217 394 A C 2.410 179.672 177.584 -0.537 0.000 1.175 394 A CA 1.795 53.657 52.037 -0.291 0.000 0.627 394 A CB -1.348 17.509 19.000 -0.237 0.000 0.815 394 A HN 0.772 nan 8.150 nan 0.000 0.443 395 G N -0.149 108.321 108.800 -0.550 0.000 2.446 395 G HA2 -0.063 3.890 3.960 -0.011 0.000 0.217 395 G HA3 -0.063 3.890 3.960 -0.011 0.000 0.217 395 G C 1.787 176.511 174.900 -0.293 0.000 1.168 395 G CA 1.627 46.459 45.100 -0.445 0.000 0.771 395 G HN 0.790 nan 8.290 nan 0.000 0.551 396 A N 0.275 122.922 122.820 -0.288 0.000 1.883 396 A HA -0.073 4.240 4.320 -0.011 0.000 0.217 396 A C 2.540 180.000 177.584 -0.207 0.000 1.186 396 A CA 2.649 54.545 52.037 -0.236 0.000 0.624 396 A CB -1.184 17.690 19.000 -0.210 0.000 0.822 396 A HN 0.317 nan 8.150 nan 0.000 0.444 397 T N 0.716 115.159 114.554 -0.185 0.000 2.665 397 T HA -0.224 4.120 4.350 -0.011 0.000 0.268 397 T C 2.339 176.965 174.700 -0.122 0.000 1.035 397 T CA 2.369 64.389 62.100 -0.134 0.000 1.151 397 T CB -0.628 68.178 68.868 -0.104 0.000 0.862 397 T HN 0.862 nan 8.240 nan 0.000 0.438 398 S N 1.893 117.510 115.700 -0.139 0.000 2.374 398 S HA -0.136 4.328 4.470 -0.011 0.000 0.227 398 S C 2.081 176.653 174.600 -0.046 0.000 1.037 398 S CA 1.109 59.280 58.200 -0.049 0.000 1.024 398 S CB -0.747 62.462 63.200 0.015 0.000 0.861 398 S HN 0.410 nan 8.310 nan 0.000 0.456 399 I N 1.784 122.286 120.570 -0.113 0.000 2.179 399 I HA -0.091 4.073 4.170 -0.011 0.000 0.242 399 I C 2.910 178.842 176.117 -0.308 0.000 1.088 399 I CA 1.203 62.385 61.300 -0.196 0.000 1.357 399 I CB -1.296 36.519 38.000 -0.308 0.000 1.051 399 I HN 0.287 nan 8.210 nan 0.000 0.409 400 R N 1.157 121.459 120.500 -0.330 0.000 2.096 400 R HA -0.191 4.142 4.340 -0.011 0.000 0.240 400 R C 2.194 178.472 176.300 -0.036 0.000 1.139 400 R CA 1.438 57.414 56.100 -0.208 0.000 0.952 400 R CB -0.899 29.329 30.300 -0.120 0.000 0.854 400 R HN 0.583 nan 8.270 nan 0.000 0.436 401 Q N -0.315 119.455 119.800 -0.050 0.000 2.046 401 Q HA 0.008 4.342 4.340 -0.011 0.000 0.200 401 Q C 2.221 178.197 176.000 -0.040 0.000 0.975 401 Q CA 1.377 57.159 55.803 -0.035 0.000 0.836 401 Q CB -0.291 28.419 28.738 -0.046 0.000 0.896 401 Q HN 0.350 nan 8.270 nan 0.000 0.428 402 A N 1.709 124.524 122.820 -0.008 0.000 1.915 402 A HA -0.255 4.059 4.320 -0.011 0.000 0.220 402 A C 1.794 179.354 177.584 -0.041 0.000 1.198 402 A CA 1.690 53.724 52.037 -0.004 0.000 0.647 402 A CB -1.445 17.572 19.000 0.028 0.000 0.825 402 A HN 0.753 nan 8.150 nan 0.000 0.456 403 W N 0.911 122.108 121.300 -0.172 0.000 2.354 403 W HA -0.216 4.438 4.660 -0.011 0.000 0.315 403 W C 1.362 177.774 176.519 -0.179 0.000 1.206 403 W CA 2.012 59.272 57.345 -0.143 0.000 1.290 403 W CB -0.397 29.053 29.460 -0.016 0.000 1.152 403 W HN 0.442 nan 8.180 nan 0.000 0.489 404 D N 0.628 120.848 120.400 -0.301 0.000 2.149 404 D HA -0.220 4.414 4.640 -0.011 0.000 0.194 404 D C 2.292 178.202 176.300 -0.649 0.000 1.001 404 D CA 2.277 56.017 54.000 -0.434 0.000 0.849 404 D CB -0.881 39.764 40.800 -0.258 0.000 0.939 404 D HN 0.208 nan 8.370 nan 0.000 0.449 405 A N 0.647 123.044 122.820 -0.705 0.000 1.845 405 A HA -0.160 4.154 4.320 -0.011 0.000 0.215 405 A C 2.436 179.700 177.584 -0.533 0.000 1.195 405 A CA 1.290 52.921 52.037 -0.677 0.000 0.616 405 A CB -0.887 17.834 19.000 -0.465 0.000 0.832 405 A HN 0.213 nan 8.150 nan 0.000 0.443 406 I N 0.074 120.297 120.570 -0.580 0.000 2.151 406 I HA -0.341 3.823 4.170 -0.011 0.000 0.243 406 I C 2.894 178.545 176.117 -0.776 0.000 1.080 406 I CA 1.378 62.297 61.300 -0.634 0.000 1.339 406 I CB -0.378 37.181 38.000 -0.735 0.000 1.039 406 I HN 0.354 nan 8.210 nan 0.000 0.409 407 A N 0.381 122.518 122.820 -1.138 0.000 2.019 407 A HA -0.009 4.304 4.320 -0.011 0.000 0.219 407 A C 2.302 179.628 177.584 -0.431 0.000 1.164 407 A CA 1.673 53.197 52.037 -0.855 0.000 0.644 407 A CB -0.602 17.850 19.000 -0.914 0.000 0.805 407 A HN 0.463 nan 8.150 nan 0.000 0.449 408 A N -1.864 120.716 122.820 -0.401 0.000 2.275 408 A HA 0.438 4.752 4.320 -0.011 0.000 0.212 408 A C 1.736 179.204 177.584 -0.194 0.000 1.201 408 A CA 1.043 52.932 52.037 -0.247 0.000 0.843 408 A CB -0.838 18.022 19.000 -0.234 0.000 0.873 408 A HN 1.775 nan 8.150 nan 0.000 0.492 409 G N -0.315 108.351 108.800 -0.224 0.000 2.187 409 G HA2 -0.262 3.691 3.960 -0.011 0.000 0.261 409 G HA3 -0.262 3.691 3.960 -0.011 0.000 0.261 409 G C 0.125 174.956 174.900 -0.116 0.000 1.000 409 G CA 0.554 45.569 45.100 -0.143 0.000 0.718 409 G HN 0.515 nan 8.290 nan 0.000 0.519 410 I N 2.607 123.086 120.570 -0.152 0.000 2.416 410 I HA 0.242 4.406 4.170 -0.011 0.000 0.288 410 I C -1.283 174.781 176.117 -0.089 0.000 1.051 410 I CA -2.180 59.059 61.300 -0.102 0.000 1.375 410 I CB 0.973 38.908 38.000 -0.108 0.000 1.407 410 I HN -0.067 nan 8.210 nan 0.000 0.516 411 P HA 0.008 nan 4.420 nan 0.000 0.269 411 P C 0.888 178.187 177.300 -0.001 0.000 1.209 411 P CA -0.133 62.955 63.100 -0.019 0.000 0.776 411 P CB 1.090 32.791 31.700 0.001 0.000 0.876 412 V N 4.321 124.238 119.914 0.005 0.000 2.223 412 V HA -0.138 3.976 4.120 -0.011 0.000 0.244 412 V C -0.459 175.678 176.094 0.071 0.000 1.045 412 V CA 2.387 64.706 62.300 0.031 0.000 1.000 412 V CB -2.435 29.408 31.823 0.033 0.000 0.635 412 V HN 0.595 nan 8.190 nan 0.000 0.445 413 P HA -0.175 nan 4.420 nan 0.000 0.219 413 P C 0.670 178.008 177.300 0.062 0.000 1.144 413 P CA 1.654 64.790 63.100 0.059 0.000 0.806 413 P CB -0.103 31.624 31.700 0.045 0.000 0.771 414 D N -1.851 118.589 120.400 0.067 0.000 2.091 414 D HA -0.156 4.478 4.640 -0.011 0.000 0.199 414 D C 2.110 178.474 176.300 0.107 0.000 0.980 414 D CA 0.949 54.991 54.000 0.070 0.000 0.831 414 D CB -1.138 39.697 40.800 0.058 0.000 0.987 414 D HN 0.304 nan 8.370 nan 0.000 0.460 415 H N 0.410 119.491 119.070 0.017 0.000 2.352 415 H HA -0.112 4.437 4.556 -0.011 0.000 0.299 415 H C 1.889 177.282 175.328 0.108 0.000 1.097 415 H CA 1.485 57.555 56.048 0.037 0.000 1.311 415 H CB 0.080 29.812 29.762 -0.051 0.000 1.377 415 H HN 0.116 nan 8.280 nan 0.000 0.504 416 A N 1.031 123.910 122.820 0.099 0.000 2.024 416 A HA -0.127 4.186 4.320 -0.011 0.000 0.220 416 A C 2.608 180.218 177.584 0.044 0.000 1.164 416 A CA 1.418 53.497 52.037 0.070 0.000 0.643 416 A CB -0.876 18.172 19.000 0.080 0.000 0.806 416 A HN 0.574 nan 8.150 nan 0.000 0.451 417 A N -0.083 122.757 122.820 0.033 0.000 2.131 417 A HA -0.013 4.301 4.320 -0.011 0.000 0.220 417 A C 2.110 179.680 177.584 -0.023 0.000 1.158 417 A CA 2.035 54.078 52.037 0.009 0.000 0.665 417 A CB -0.518 18.489 19.000 0.012 0.000 0.795 417 A HN 1.119 nan 8.150 nan 0.000 0.460 418 S N -2.295 113.381 115.700 -0.041 0.000 2.666 418 S HA 0.269 4.732 4.470 -0.011 0.000 0.239 418 S C -0.148 174.237 174.600 -0.359 0.000 1.031 418 S CA -0.470 57.635 58.200 -0.160 0.000 1.015 418 S CB -0.195 62.896 63.200 -0.182 0.000 0.981 418 S HN 0.498 nan 8.310 nan 0.000 0.547 419 H N 1.640 120.619 119.070 -0.152 0.000 2.860 419 H HA 0.441 4.990 4.556 -0.011 0.000 0.312 419 H C -2.361 172.940 175.328 -0.045 0.000 0.995 419 H CA -1.559 54.420 56.048 -0.115 0.000 1.311 419 H CB 1.596 31.257 29.762 -0.168 0.000 1.478 419 H HN 0.013 nan 8.280 nan 0.000 0.508 420 P HA -0.181 nan 4.420 nan 0.000 0.216 420 P C 0.823 178.178 177.300 0.092 0.000 1.150 420 P CA 1.248 64.373 63.100 0.041 0.000 0.843 420 P CB 0.572 32.283 31.700 0.018 0.000 0.787 421 E N -0.799 119.465 120.200 0.106 0.000 2.046 421 E HA -0.123 4.220 4.350 -0.011 0.000 0.190 421 E C 1.871 178.595 176.600 0.208 0.000 0.982 421 E CA 0.662 57.145 56.400 0.139 0.000 0.800 421 E CB -1.229 28.478 29.700 0.011 0.000 0.756 421 E HN 0.097 nan 8.360 nan 0.000 0.449 422 L N 0.689 121.999 121.223 0.145 0.000 2.083 422 L HA -0.061 4.272 4.340 -0.011 0.000 0.209 422 L C 2.056 179.011 176.870 0.142 0.000 1.083 422 L CA 1.955 56.881 54.840 0.144 0.000 0.752 422 L CB -0.820 41.304 42.059 0.107 0.000 0.899 422 L HN 0.123 nan 8.230 nan 0.000 0.433 423 A N -0.462 122.425 122.820 0.111 0.000 1.877 423 A HA -0.104 4.209 4.320 -0.011 0.000 0.216 423 A C 2.469 180.086 177.584 0.054 0.000 1.186 423 A CA 1.843 53.924 52.037 0.073 0.000 0.620 423 A CB -1.220 17.808 19.000 0.047 0.000 0.822 423 A HN 0.557 nan 8.150 nan 0.000 0.443 424 A N -0.184 122.676 122.820 0.066 0.000 1.908 424 A HA 0.117 4.430 4.320 -0.011 0.000 0.218 424 A C 2.484 180.007 177.584 -0.101 0.000 1.181 424 A CA 2.242 54.264 52.037 -0.025 0.000 0.627 424 A CB -0.966 18.029 19.000 -0.008 0.000 0.818 424 A HN 1.081 nan 8.150 nan 0.000 0.445 425 A N -0.561 122.315 122.820 0.094 0.000 1.929 425 A HA 0.069 4.382 4.320 -0.011 0.000 0.216 425 A C 2.161 179.852 177.584 0.179 0.000 1.176 425 A CA 1.273 53.430 52.037 0.200 0.000 0.628 425 A CB -0.485 18.804 19.000 0.481 0.000 0.816 425 A HN 0.463 nan 8.150 nan 0.000 0.444 426 L N -1.152 120.148 121.223 0.129 0.000 2.027 426 L HA -0.177 4.157 4.340 -0.011 0.000 0.206 426 L C 2.899 179.787 176.870 0.030 0.000 1.074 426 L CA 1.344 56.247 54.840 0.104 0.000 0.745 426 L CB -0.486 41.626 42.059 0.088 0.000 0.898 426 L HN 0.377 nan 8.230 nan 0.000 0.433 427 R N -0.183 120.300 120.500 -0.029 0.000 2.080 427 R HA -0.201 4.133 4.340 -0.011 0.000 0.236 427 R C 2.337 178.536 176.300 -0.167 0.000 1.137 427 R CA 1.720 57.771 56.100 -0.081 0.000 0.943 427 R CB -0.492 29.752 30.300 -0.094 0.000 0.846 427 R HN 0.369 nan 8.270 nan 0.000 0.431 428 A N 0.187 122.802 122.820 -0.341 0.000 1.969 428 A HA -0.011 4.302 4.320 -0.011 0.000 0.218 428 A C 0.723 177.887 177.584 -0.701 0.000 1.169 428 A CA 1.000 52.643 52.037 -0.658 0.000 0.635 428 A CB -0.039 18.298 19.000 -1.105 0.000 0.810 428 A HN 0.155 nan 8.150 nan 0.000 0.445 429 F N 0.000 119.951 119.950 0.002 0.000 2.286 429 F HA 0.000 4.520 4.527 -0.012 0.000 0.279 429 F CA 0.000 58.017 58.000 0.028 0.000 1.383 429 F CB 0.000 39.030 39.000 0.050 0.000 1.145 429 F HN 0.000 nan 8.300 nan 0.000 0.574