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 2jkr_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVSKGDGMRG LAVFISDIRN CKSKEAEIKR INKELANIRS KFKGDKALDG DATA SEQUENCE YSKKKYVCKL LFIFLLGHDI DFGHMEAVNL LSSNRYTEKQ IGYLFISVLV DATA SEQUENCE NSNSELIRLI NNAIKNDLAS RNPTFMGLAL HCIANVGSRE MAEAFAGEIP DATA SEQUENCE KILVAGDTMD SVKQSAALCL LRLYRTSPDL VPMGDWTSRV VHLLNDQHLG DATA SEQUENCE VVTAATSLIT TLAQKNPEEF KTSVSLAVSR LSRIVTSAST DLQDYTYYFV DATA SEQUENCE PAPWLSVKLL RLLQCYPPPE DPAVRGRLTE CLETILNKAQ EPPKSKKVQH DATA SEQUENCE SNAKNAVLFE AISLIIHHDS EPNLLVRACN QLGQFLQHRE TNLRYLALES DATA SEQUENCE MCTLASSEFS HEAVKTHIET VINALKTERD VSVRQRAVDL LYAMCDRSNA DATA SEQUENCE QQIVAEMLSY LETADYSIRE EIVLKVAILA EKYAVDYTWY VDTILNLIRI DATA SEQUENCE AGDYVSEEVW YRVIQIVINR DDVQGYAAKT VFEALQAPAC HENLVKVGGY DATA SEQUENCE ILGEFGNLIA GDPRSSPLIQ FNLLHSKFHL CSVPTRALLL STYIKFVNLF DATA SEQUENCE PEVKATIQDV LRSDSQLKNA DVELQQRAVE YLRLSTVAST DILATVLEEM DATA SEQUENCE PPFPERESSI LAKLKKKKGG S 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.579 177.584 -0.008 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 3 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 4 V N 0.602 120.510 119.914 -0.010 0.000 2.769 4 V HA 0.737 4.857 4.120 0.000 0.000 0.312 4 V C 1.216 177.307 176.094 -0.005 0.000 1.058 4 V CA -0.141 62.154 62.300 -0.009 0.000 0.952 4 V CB 1.731 33.546 31.823 -0.014 0.000 1.019 4 V HN 1.262 nan 8.190 nan 0.000 0.445 5 S N 1.788 117.487 115.700 -0.001 0.000 2.611 5 S HA 0.198 4.668 4.470 0.000 0.000 0.252 5 S C -0.125 174.478 174.600 0.005 0.000 1.369 5 S CA 0.025 58.227 58.200 0.003 0.000 0.975 5 S CB 0.181 63.386 63.200 0.008 0.000 0.937 5 S HN 0.808 nan 8.310 nan 0.000 0.584 6 K N 1.362 121.769 120.400 0.011 0.000 2.705 6 K HA 0.470 4.790 4.320 0.000 0.000 0.238 6 K C -0.224 176.392 176.600 0.027 0.000 0.996 6 K CA -0.766 55.530 56.287 0.015 0.000 1.007 6 K CB 0.877 33.383 32.500 0.011 0.000 1.206 6 K HN 0.521 nan 8.250 nan 0.000 0.488 7 G N 1.544 110.367 108.800 0.039 0.000 2.420 7 G HA2 0.534 4.494 3.960 0.000 0.000 0.284 7 G HA3 0.534 4.494 3.960 0.000 0.000 0.284 7 G C -0.843 174.097 174.900 0.065 0.000 1.177 7 G CA 0.191 45.324 45.100 0.056 0.000 0.841 7 G HN 0.617 nan 8.290 nan 0.000 0.527 8 D N -1.365 119.077 120.400 0.071 0.000 3.225 8 D HA 0.466 5.106 4.640 0.000 0.000 0.295 8 D C -0.229 176.108 176.300 0.062 0.000 1.051 8 D CA 1.018 55.058 54.000 0.068 0.000 0.715 8 D CB 0.563 41.398 40.800 0.059 0.000 1.500 8 D HN 1.706 nan 8.370 nan 0.000 0.483 9 G N 0.219 109.047 108.800 0.046 0.000 2.375 9 G HA2 0.493 4.453 3.960 0.000 0.000 0.663 9 G HA3 0.493 4.453 3.960 0.000 0.000 0.663 9 G C -1.116 173.808 174.900 0.040 0.000 1.391 9 G CA -0.168 44.957 45.100 0.043 0.000 0.949 9 G HN 0.690 nan 8.290 nan 0.000 0.646 10 M N 1.340 120.952 119.600 0.021 0.000 3.488 10 M HA 0.286 4.766 4.480 0.000 0.000 0.383 10 M C 1.040 177.336 176.300 -0.006 0.000 1.561 10 M CA -0.497 54.793 55.300 -0.016 0.000 0.689 10 M CB 0.608 33.127 32.600 -0.135 0.000 2.826 10 M HN 0.762 nan 8.290 nan 0.000 0.463 11 R N 0.536 121.061 120.500 0.041 0.000 2.117 11 R HA -0.134 4.206 4.340 0.000 0.000 0.243 11 R C 1.531 177.828 176.300 -0.005 0.000 1.143 11 R CA 2.525 58.635 56.100 0.018 0.000 0.968 11 R CB -0.175 30.143 30.300 0.031 0.000 0.863 11 R HN 0.821 nan 8.270 nan 0.000 0.444 12 G N 1.379 110.168 108.800 -0.019 0.000 2.469 12 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 12 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 12 G C 1.268 176.147 174.900 -0.036 0.000 1.150 12 G CA 0.832 45.900 45.100 -0.053 0.000 0.763 12 G HN 0.304 nan 8.290 nan 0.000 0.561 13 L N 1.447 122.636 121.223 -0.057 0.000 1.961 13 L HA 0.127 4.467 4.340 0.000 0.000 0.210 13 L C 3.209 180.041 176.870 -0.063 0.000 1.072 13 L CA 2.360 57.174 54.840 -0.043 0.000 0.749 13 L CB -1.155 40.856 42.059 -0.081 0.000 0.889 13 L HN 0.270 nan 8.230 nan 0.000 0.432 14 A N -0.915 121.861 122.820 -0.074 0.000 1.896 14 A HA -0.280 4.040 4.320 0.000 0.000 0.220 14 A C 2.285 179.829 177.584 -0.065 0.000 1.206 14 A CA 2.864 54.852 52.037 -0.082 0.000 0.647 14 A CB -1.464 17.508 19.000 -0.045 0.000 0.828 14 A HN 0.388 nan 8.150 nan 0.000 0.455 15 V N -1.195 118.709 119.914 -0.017 0.000 2.255 15 V HA -0.271 3.849 4.120 0.000 0.000 0.247 15 V C 2.300 178.429 176.094 0.058 0.000 1.051 15 V CA 2.268 64.578 62.300 0.015 0.000 1.018 15 V CB -1.060 30.782 31.823 0.032 0.000 0.641 15 V HN 0.631 nan 8.190 nan 0.000 0.445 16 F N 0.420 120.306 119.950 -0.107 0.000 2.161 16 F HA -0.191 4.336 4.527 0.000 0.000 0.300 16 F C 2.057 177.766 175.800 -0.151 0.000 1.089 16 F CA 1.292 59.228 58.000 -0.106 0.000 1.282 16 F CB -0.412 38.518 39.000 -0.116 0.000 1.010 16 F HN 0.080 nan 8.300 nan 0.000 0.485 17 I N -1.137 119.202 120.570 -0.386 0.000 2.162 17 I HA -0.294 3.876 4.170 0.000 0.000 0.238 17 I C 2.590 178.562 176.117 -0.242 0.000 1.076 17 I CA 1.371 62.365 61.300 -0.510 0.000 1.353 17 I CB -0.898 36.797 38.000 -0.509 0.000 1.063 17 I HN -0.024 nan 8.210 nan 0.000 0.408 18 S N 0.512 116.129 115.700 -0.139 0.000 2.365 18 S HA -0.239 4.231 4.470 0.000 0.000 0.225 18 S C 1.619 176.187 174.600 -0.053 0.000 1.039 18 S CA 1.711 59.867 58.200 -0.073 0.000 1.033 18 S CB -0.389 62.785 63.200 -0.043 0.000 0.887 18 S HN 0.404 nan 8.310 nan 0.000 0.447 19 D N 0.608 120.987 120.400 -0.035 0.000 2.221 19 D HA -0.037 4.604 4.640 0.000 0.000 0.204 19 D C 1.651 177.939 176.300 -0.020 0.000 0.982 19 D CA 0.688 54.689 54.000 0.003 0.000 0.857 19 D CB -0.097 40.744 40.800 0.069 0.000 0.934 19 D HN 0.366 nan 8.370 nan 0.000 0.475 20 I N -0.105 120.410 120.570 -0.092 0.000 2.729 20 I HA -0.076 4.094 4.170 0.000 0.000 0.256 20 I C 1.925 178.008 176.117 -0.055 0.000 1.115 20 I CA 0.038 61.277 61.300 -0.102 0.000 1.446 20 I CB 0.300 38.147 38.000 -0.256 0.000 1.176 20 I HN -0.202 nan 8.210 nan 0.000 0.446 21 R N 1.110 121.577 120.500 -0.055 0.000 2.200 21 R HA -0.106 4.234 4.340 0.000 0.000 0.234 21 R C 1.360 177.649 176.300 -0.019 0.000 1.127 21 R CA 0.604 56.690 56.100 -0.023 0.000 0.989 21 R CB -1.280 29.008 30.300 -0.019 0.000 0.869 21 R HN 0.408 nan 8.270 nan 0.000 0.459 22 N N 0.188 118.875 118.700 -0.022 0.000 2.091 22 N HA -0.061 4.679 4.740 0.000 0.000 0.229 22 N C -0.134 175.371 175.510 -0.008 0.000 1.250 22 N CA 0.713 53.756 53.050 -0.012 0.000 0.958 22 N CB -0.127 38.356 38.487 -0.007 0.000 1.057 22 N HN 0.124 nan 8.380 nan 0.000 0.408 23 C N 0.463 119.762 119.300 -0.002 0.000 2.157 23 C HA -0.070 4.390 4.460 0.000 0.000 0.262 23 C C 0.543 175.533 174.990 -0.001 0.000 0.824 23 C CA -0.624 58.394 59.018 0.000 0.000 2.971 23 C CB -1.195 26.543 27.740 -0.003 0.000 1.707 23 C HN 0.506 nan 8.230 nan 0.000 0.332 24 K N 1.242 121.643 120.400 0.001 0.000 2.720 24 K HA 0.037 4.357 4.320 0.000 0.000 0.206 24 K C 0.912 177.512 176.600 -0.001 0.000 1.000 24 K CA 1.118 57.405 56.287 -0.000 0.000 1.067 24 K CB -0.242 32.258 32.500 0.001 0.000 0.861 24 K HN 1.099 nan 8.250 nan 0.000 0.492 25 S N -1.671 114.028 115.700 -0.002 0.000 2.656 25 S HA 0.214 4.684 4.470 0.000 0.000 0.265 25 S C -0.387 174.210 174.600 -0.005 0.000 1.110 25 S CA -0.952 57.246 58.200 -0.003 0.000 0.821 25 S CB 1.032 64.231 63.200 -0.001 0.000 1.099 25 S HN -0.034 nan 8.310 nan 0.000 0.471 26 K N 0.359 120.755 120.400 -0.007 0.000 2.437 26 K HA 0.365 4.685 4.320 0.000 0.000 0.198 26 K C 0.974 177.568 176.600 -0.009 0.000 1.024 26 K CA 0.647 56.928 56.287 -0.010 0.000 1.148 26 K CB 0.019 32.512 32.500 -0.012 0.000 0.860 26 K HN 0.587 nan 8.250 nan 0.000 0.515 27 E N -1.450 118.746 120.200 -0.006 0.000 2.571 27 E HA 0.147 4.497 4.350 0.000 0.000 0.222 27 E C 1.115 177.715 176.600 -0.001 0.000 0.904 27 E CA 0.327 56.725 56.400 -0.005 0.000 1.157 27 E CB 0.443 30.142 29.700 -0.002 0.000 1.158 27 E HN 0.256 nan 8.360 nan 0.000 0.540 28 A N 1.527 124.348 122.820 0.002 0.000 1.929 28 A HA -0.156 4.164 4.320 0.000 0.000 0.216 28 A C 1.991 179.583 177.584 0.014 0.000 1.176 28 A CA 1.470 53.512 52.037 0.009 0.000 0.628 28 A CB -0.437 18.569 19.000 0.010 0.000 0.816 28 A HN 0.351 nan 8.150 nan 0.000 0.444 29 E N 0.226 120.429 120.200 0.005 0.000 2.114 29 E HA -0.232 4.118 4.350 0.000 0.000 0.199 29 E C 1.710 178.312 176.600 0.003 0.000 1.008 29 E CA 1.830 58.231 56.400 0.003 0.000 0.810 29 E CB -0.278 29.415 29.700 -0.012 0.000 0.739 29 E HN 0.708 nan 8.360 nan 0.000 0.456 30 I N 0.223 120.784 120.570 -0.015 0.000 2.761 30 I HA -0.139 4.032 4.170 0.000 0.000 0.261 30 I C 2.632 178.733 176.117 -0.027 0.000 1.198 30 I CA 0.684 61.957 61.300 -0.044 0.000 1.482 30 I CB -0.226 37.747 38.000 -0.045 0.000 1.100 30 I HN 0.056 nan 8.210 nan 0.000 0.445 31 K N 1.050 121.452 120.400 0.004 0.000 2.098 31 K HA -0.074 4.246 4.320 0.000 0.000 0.203 31 K C 2.394 179.020 176.600 0.044 0.000 1.051 31 K CA 0.559 56.856 56.287 0.017 0.000 0.957 31 K CB 0.105 32.616 32.500 0.018 0.000 0.738 31 K HN -0.033 nan 8.250 nan 0.000 0.447 32 R N 1.024 121.567 120.500 0.070 0.000 2.193 32 R HA -0.053 4.287 4.340 0.000 0.000 0.229 32 R C 1.901 178.332 176.300 0.219 0.000 1.110 32 R CA 0.703 56.884 56.100 0.135 0.000 0.988 32 R CB -0.470 29.918 30.300 0.147 0.000 0.871 32 R HN 0.227 nan 8.270 nan 0.000 0.458 33 I N 1.240 121.913 120.570 0.172 0.000 2.162 33 I HA -0.225 3.945 4.170 0.000 0.000 0.238 33 I C 1.735 177.914 176.117 0.104 0.000 1.076 33 I CA 1.266 62.687 61.300 0.201 0.000 1.353 33 I CB -0.648 37.392 38.000 0.068 0.000 1.063 33 I HN 0.093 nan 8.210 nan 0.000 0.408 34 N N 0.692 119.418 118.700 0.042 0.000 2.272 34 N HA -0.181 4.559 4.740 0.000 0.000 0.185 34 N C 1.685 177.218 175.510 0.038 0.000 1.014 34 N CA 1.006 54.083 53.050 0.045 0.000 0.870 34 N CB -0.227 38.277 38.487 0.028 0.000 0.975 34 N HN 0.474 nan 8.380 nan 0.000 0.433 35 K N 0.773 121.194 120.400 0.035 0.000 2.007 35 K HA -0.101 4.220 4.320 0.000 0.000 0.206 35 K C 1.894 178.482 176.600 -0.019 0.000 1.047 35 K CA 0.879 57.175 56.287 0.015 0.000 0.937 35 K CB -0.066 32.452 32.500 0.030 0.000 0.718 35 K HN 0.017 nan 8.250 nan 0.000 0.438 36 E N 1.555 121.729 120.200 -0.043 0.000 2.072 36 E HA -0.095 4.255 4.350 0.000 0.000 0.191 36 E C 1.921 178.453 176.600 -0.114 0.000 0.985 36 E CA 0.897 57.187 56.400 -0.185 0.000 0.801 36 E CB -0.195 29.143 29.700 -0.602 0.000 0.750 36 E HN 0.154 nan 8.360 nan 0.000 0.452 37 L N -0.173 121.045 121.223 -0.008 0.000 2.012 37 L HA -0.238 4.102 4.340 0.000 0.000 0.210 37 L C 2.469 179.374 176.870 0.059 0.000 1.073 37 L CA 1.418 56.324 54.840 0.110 0.000 0.748 37 L CB -0.638 41.537 42.059 0.193 0.000 0.891 37 L HN 0.237 nan 8.230 nan 0.000 0.431 38 A N 0.011 122.832 122.820 0.001 0.000 1.933 38 A HA -0.264 4.056 4.320 0.000 0.000 0.218 38 A C 1.998 179.510 177.584 -0.120 0.000 1.175 38 A CA 2.160 54.162 52.037 -0.058 0.000 0.628 38 A CB -0.761 18.216 19.000 -0.038 0.000 0.814 38 A HN 0.533 nan 8.150 nan 0.000 0.444 39 N N -0.024 118.607 118.700 -0.115 0.000 2.142 39 N HA -0.084 4.656 4.740 0.000 0.000 0.186 39 N C 1.453 176.781 175.510 -0.303 0.000 1.023 39 N CA 1.752 54.705 53.050 -0.162 0.000 0.852 39 N CB -0.352 38.074 38.487 -0.103 0.000 0.998 39 N HN 0.523 nan 8.380 nan 0.000 0.424 40 I N 0.021 120.414 120.570 -0.295 0.000 2.133 40 I HA -0.157 4.013 4.170 0.000 0.000 0.238 40 I C 1.510 177.202 176.117 -0.709 0.000 1.074 40 I CA 0.492 61.464 61.300 -0.546 0.000 1.342 40 I CB -0.375 37.492 38.000 -0.221 0.000 1.053 40 I HN 0.141 nan 8.210 nan 0.000 0.404 41 R N 1.594 121.846 120.500 -0.412 0.000 2.756 41 R HA -0.073 4.267 4.340 0.000 0.000 0.264 41 R C 0.963 177.012 176.300 -0.418 0.000 1.026 41 R CA 1.116 56.867 56.100 -0.582 0.000 1.121 41 R CB 0.351 30.215 30.300 -0.726 0.000 0.999 41 R HN 0.500 nan 8.270 nan 0.000 0.449 42 S N 0.745 116.252 115.700 -0.322 0.000 3.482 42 S HA -0.134 4.336 4.470 0.000 0.000 0.294 42 S C 0.175 174.620 174.600 -0.258 0.000 1.244 42 S CA 1.397 59.461 58.200 -0.228 0.000 0.911 42 S CB -0.835 62.250 63.200 -0.191 0.000 1.070 42 S HN 0.855 nan 8.310 nan 0.000 0.614 43 K N -1.000 119.184 120.400 -0.360 0.000 2.550 43 K HA 0.383 4.703 4.320 0.000 0.000 0.205 43 K C 0.932 177.458 176.600 -0.123 0.000 1.429 43 K CA 0.732 56.805 56.287 -0.357 0.000 0.997 43 K CB -0.220 31.834 32.500 -0.744 0.000 1.328 43 K HN 0.402 nan 8.250 nan 0.000 0.546 44 F N 1.829 121.675 119.950 -0.173 0.000 2.179 44 F HA 0.177 4.704 4.527 0.000 0.000 0.292 44 F C 1.556 177.296 175.800 -0.101 0.000 1.089 44 F CA 0.514 58.453 58.000 -0.102 0.000 1.295 44 F CB -0.458 38.513 39.000 -0.049 0.000 1.041 44 F HN -0.201 nan 8.300 nan 0.000 0.487 45 K N 1.060 121.488 120.400 0.047 0.000 3.233 45 K HA 0.334 4.654 4.320 0.000 0.000 0.283 45 K C 0.072 176.647 176.600 -0.042 0.000 1.209 45 K CA -0.038 56.233 56.287 -0.027 0.000 1.197 45 K CB -0.854 31.583 32.500 -0.106 0.000 1.431 45 K HN 0.319 nan 8.250 nan 0.000 0.326 46 G N 0.483 109.273 108.800 -0.016 0.000 2.725 46 G HA2 0.123 4.083 3.960 0.000 0.000 0.288 46 G HA3 0.123 4.083 3.960 0.000 0.000 0.288 46 G C -0.380 174.514 174.900 -0.010 0.000 1.399 46 G CA -0.666 44.418 45.100 -0.026 0.000 0.859 46 G HN 0.356 nan 8.290 nan 0.000 0.479 47 D N 0.247 120.639 120.400 -0.014 0.000 2.225 47 D HA -0.152 4.488 4.640 0.000 0.000 0.229 47 D C 0.493 176.793 176.300 -0.001 0.000 1.096 47 D CA 0.872 54.867 54.000 -0.008 0.000 0.964 47 D CB -0.276 40.519 40.800 -0.010 0.000 1.336 47 D HN 0.393 nan 8.370 nan 0.000 0.511 48 K N 1.195 121.596 120.400 0.001 0.000 2.430 48 K HA 0.340 4.661 4.320 0.000 0.000 0.280 48 K C 0.110 176.721 176.600 0.018 0.000 1.063 48 K CA -0.234 56.058 56.287 0.008 0.000 1.071 48 K CB 0.634 33.141 32.500 0.010 0.000 0.899 48 K HN 0.402 nan 8.250 nan 0.000 0.473 49 A N 3.684 126.515 122.820 0.019 0.000 2.455 49 A HA 0.185 4.505 4.320 0.000 0.000 0.244 49 A C 0.007 177.620 177.584 0.048 0.000 1.099 49 A CA -0.219 51.837 52.037 0.031 0.000 0.786 49 A CB 0.087 19.092 19.000 0.008 0.000 1.051 49 A HN 0.562 nan 8.150 nan 0.000 0.508 50 L N 0.495 121.764 121.223 0.078 0.000 2.400 50 L HA 0.385 4.725 4.340 0.000 0.000 0.264 50 L C 0.571 177.493 176.870 0.087 0.000 1.061 50 L CA -0.799 54.105 54.840 0.106 0.000 0.799 50 L CB 0.437 42.608 42.059 0.186 0.000 1.240 50 L HN 0.776 nan 8.230 nan 0.000 0.461 51 D N -0.042 120.418 120.400 0.100 0.000 2.358 51 D HA 0.088 4.728 4.640 0.000 0.000 0.244 51 D C 1.161 177.521 176.300 0.100 0.000 1.163 51 D CA 0.018 54.069 54.000 0.085 0.000 0.945 51 D CB 0.855 41.706 40.800 0.085 0.000 1.152 51 D HN 0.603 nan 8.370 nan 0.000 0.451 52 G N 0.281 109.124 108.800 0.072 0.000 2.574 52 G HA2 -0.402 3.559 3.960 0.000 0.000 0.220 52 G HA3 -0.402 3.559 3.960 0.000 0.000 0.220 52 G C 1.329 176.280 174.900 0.085 0.000 1.173 52 G CA 1.336 46.468 45.100 0.054 0.000 0.772 52 G HN 0.677 nan 8.290 nan 0.000 0.585 53 Y N 1.589 121.896 120.300 0.011 0.000 2.114 53 Y HA -0.188 4.362 4.550 0.000 0.000 0.282 53 Y C 3.243 179.145 175.900 0.004 0.000 1.165 53 Y CA 2.213 60.315 58.100 0.002 0.000 1.148 53 Y CB -0.178 38.283 38.460 0.001 0.000 0.972 53 Y HN 0.246 nan 8.280 nan 0.000 0.504 54 S N -0.111 115.754 115.700 0.276 0.000 2.383 54 S HA -0.144 4.326 4.470 0.000 0.000 0.227 54 S C 1.871 176.645 174.600 0.291 0.000 1.026 54 S CA 1.088 59.435 58.200 0.245 0.000 0.981 54 S CB -0.181 63.230 63.200 0.352 0.000 0.818 54 S HN 0.382 nan 8.310 nan 0.000 0.472 55 K N 1.404 121.940 120.400 0.228 0.000 1.965 55 K HA -0.149 4.171 4.320 0.000 0.000 0.214 55 K C 2.200 178.847 176.600 0.077 0.000 1.046 55 K CA 1.405 57.809 56.287 0.195 0.000 0.944 55 K CB -0.359 32.155 32.500 0.024 0.000 0.726 55 K HN 0.199 nan 8.250 nan 0.000 0.441 56 K N 1.639 122.014 120.400 -0.042 0.000 2.081 56 K HA -0.334 3.986 4.320 0.000 0.000 0.222 56 K C 2.124 178.651 176.600 -0.121 0.000 1.055 56 K CA 2.625 58.843 56.287 -0.115 0.000 0.954 56 K CB -0.247 32.147 32.500 -0.177 0.000 0.732 56 K HN 0.089 nan 8.250 nan 0.000 0.458 57 K N -0.618 119.666 120.400 -0.195 0.000 2.026 57 K HA -0.188 4.132 4.320 0.000 0.000 0.208 57 K C 2.083 178.589 176.600 -0.156 0.000 1.048 57 K CA 1.818 57.955 56.287 -0.251 0.000 0.929 57 K CB -0.336 31.918 32.500 -0.410 0.000 0.713 57 K HN 0.352 nan 8.250 nan 0.000 0.439 58 Y N 0.684 121.002 120.300 0.031 0.000 2.352 58 Y HA -0.162 4.388 4.550 0.000 0.000 0.292 58 Y C 2.245 178.205 175.900 0.101 0.000 1.136 58 Y CA 0.671 58.801 58.100 0.049 0.000 1.227 58 Y CB 0.092 38.578 38.460 0.042 0.000 0.991 58 Y HN -0.104 nan 8.280 nan 0.000 0.545 59 V N -1.502 118.535 119.914 0.205 0.000 2.244 59 V HA -0.327 3.793 4.120 0.000 0.000 0.244 59 V C 2.443 178.612 176.094 0.125 0.000 1.042 59 V CA 1.611 63.930 62.300 0.032 0.000 1.006 59 V CB -0.946 30.770 31.823 -0.178 0.000 0.641 59 V HN 0.567 nan 8.190 nan 0.000 0.446 60 C N 0.136 119.492 119.300 0.095 0.000 2.385 60 C HA -0.271 4.189 4.460 0.000 0.000 0.275 60 C C 2.883 178.000 174.990 0.211 0.000 1.199 60 C CA 1.869 60.967 59.018 0.134 0.000 1.782 60 C CB -1.079 26.683 27.740 0.037 0.000 2.068 60 C HN 0.536 nan 8.230 nan 0.000 0.471 61 K N -0.319 120.186 120.400 0.175 0.000 2.097 61 K HA -0.109 4.212 4.320 0.000 0.000 0.206 61 K C 1.917 178.737 176.600 0.368 0.000 1.049 61 K CA 1.248 57.691 56.287 0.261 0.000 0.933 61 K CB -0.260 32.284 32.500 0.073 0.000 0.717 61 K HN 0.553 nan 8.250 nan 0.000 0.442 62 L N 0.538 121.927 121.223 0.277 0.000 2.027 62 L HA -0.185 4.156 4.340 0.000 0.000 0.206 62 L C 2.445 179.518 176.870 0.339 0.000 1.074 62 L CA 0.580 55.585 54.840 0.276 0.000 0.745 62 L CB -0.429 41.746 42.059 0.194 0.000 0.898 62 L HN 0.189 nan 8.230 nan 0.000 0.433 63 L N -0.452 120.990 121.223 0.365 0.000 2.079 63 L HA -0.264 4.077 4.340 0.000 0.000 0.210 63 L C 2.315 179.349 176.870 0.274 0.000 1.081 63 L CA 1.758 56.730 54.840 0.220 0.000 0.752 63 L CB -0.598 41.599 42.059 0.229 0.000 0.896 63 L HN 0.110 nan 8.230 nan 0.000 0.433 64 F N -0.291 119.775 119.950 0.194 0.000 2.163 64 F HA -0.134 4.393 4.527 0.000 0.000 0.297 64 F C 2.181 178.088 175.800 0.179 0.000 1.094 64 F CA 1.602 59.700 58.000 0.164 0.000 1.290 64 F CB -0.162 38.932 39.000 0.158 0.000 1.017 64 F HN 0.032 nan 8.300 nan 0.000 0.483 65 I N -0.547 120.280 120.570 0.428 0.000 2.335 65 I HA -0.309 3.861 4.170 0.000 0.000 0.251 65 I C 2.254 178.470 176.117 0.165 0.000 1.129 65 I CA 1.409 62.899 61.300 0.317 0.000 1.402 65 I CB -0.525 37.732 38.000 0.429 0.000 1.069 65 I HN 0.242 nan 8.210 nan 0.000 0.424 66 F N 1.392 121.354 119.950 0.019 0.000 2.098 66 F HA -0.122 4.405 4.527 0.000 0.000 0.294 66 F C 2.061 177.797 175.800 -0.107 0.000 1.107 66 F CA 1.454 59.427 58.000 -0.045 0.000 1.234 66 F CB -0.104 38.833 39.000 -0.104 0.000 1.002 66 F HN -0.163 nan 8.300 nan 0.000 0.472 67 L N 0.603 121.789 121.223 -0.063 0.000 2.642 67 L HA -0.173 4.167 4.340 0.000 0.000 0.236 67 L C 1.811 178.472 176.870 -0.350 0.000 1.169 67 L CA 0.248 54.960 54.840 -0.213 0.000 0.851 67 L CB -0.579 41.393 42.059 -0.145 0.000 0.968 67 L HN 0.365 nan 8.230 nan 0.000 0.453 68 L N -0.862 120.146 121.223 -0.357 0.000 2.298 68 L HA 0.146 4.486 4.340 0.000 0.000 0.209 68 L C 1.597 178.335 176.870 -0.221 0.000 1.084 68 L CA 1.083 55.737 54.840 -0.310 0.000 0.816 68 L CB -0.086 41.815 42.059 -0.263 0.000 0.967 68 L HN 0.476 nan 8.230 nan 0.000 0.460 69 G N -1.806 106.848 108.800 -0.242 0.000 2.273 69 G HA2 -0.185 3.775 3.960 0.000 0.000 0.162 69 G HA3 -0.185 3.775 3.960 0.000 0.000 0.162 69 G C -0.048 174.787 174.900 -0.110 0.000 1.006 69 G CA -0.465 44.503 45.100 -0.219 0.000 0.704 69 G HN 0.320 nan 8.290 nan 0.000 0.487 70 H N 1.313 120.293 119.070 -0.150 0.000 2.508 70 H HA 0.630 5.186 4.556 0.000 0.000 0.358 70 H C -0.070 175.237 175.328 -0.036 0.000 1.212 70 H CA 0.244 56.261 56.048 -0.052 0.000 1.356 70 H CB 0.953 30.732 29.762 0.029 0.000 1.525 70 H HN 0.125 nan 8.280 nan 0.000 0.578 71 D N 1.303 121.515 120.400 -0.312 0.000 2.440 71 D HA 0.269 4.909 4.640 0.000 0.000 0.258 71 D C -0.245 176.106 176.300 0.084 0.000 1.092 71 D CA -0.203 53.773 54.000 -0.040 0.000 1.016 71 D CB 1.428 42.175 40.800 -0.087 0.000 1.141 71 D HN 0.263 nan 8.370 nan 0.000 0.552 72 I N 1.770 122.448 120.570 0.179 0.000 2.497 72 I HA 0.038 4.208 4.170 0.000 0.000 0.284 72 I C -0.057 176.165 176.117 0.175 0.000 1.060 72 I CA -0.593 60.791 61.300 0.139 0.000 1.071 72 I CB 1.586 39.624 38.000 0.062 0.000 1.216 72 I HN 0.305 nan 8.210 nan 0.000 0.442 73 D N 6.003 126.543 120.400 0.234 0.000 2.395 73 D HA 0.140 4.780 4.640 0.000 0.000 0.226 73 D C -0.105 176.452 176.300 0.428 0.000 1.146 73 D CA -0.022 54.146 54.000 0.280 0.000 0.830 73 D CB 0.083 41.020 40.800 0.228 0.000 0.958 73 D HN 0.322 nan 8.370 nan 0.000 0.501 74 F N -4.065 116.037 119.950 0.253 0.000 2.842 74 F HA 0.534 5.061 4.527 0.000 0.000 0.319 74 F C 0.606 176.544 175.800 0.229 0.000 1.159 74 F CA -0.354 57.796 58.000 0.250 0.000 0.902 74 F CB 0.889 39.997 39.000 0.179 0.000 1.311 74 F HN -0.096 nan 8.300 nan 0.000 0.453 75 G N 0.649 109.607 108.800 0.263 0.000 2.213 75 G HA2 -0.282 3.678 3.960 0.000 0.000 0.226 75 G HA3 -0.282 3.678 3.960 0.000 0.000 0.226 75 G C 0.517 175.192 174.900 -0.376 0.000 0.992 75 G CA 0.474 45.509 45.100 -0.109 0.000 0.632 75 G HN 1.152 nan 8.290 nan 0.000 0.511 76 H N -0.643 118.377 119.070 -0.083 0.000 2.421 76 H HA 0.165 4.721 4.556 0.000 0.000 0.298 76 H C 2.563 177.798 175.328 -0.154 0.000 1.087 76 H CA 2.060 58.079 56.048 -0.049 0.000 1.330 76 H CB -0.104 29.704 29.762 0.077 0.000 1.388 76 H HN 0.441 nan 8.280 nan 0.000 0.526 77 M N 0.211 119.795 119.600 -0.026 0.000 2.156 77 M HA -0.075 4.405 4.480 0.000 0.000 0.264 77 M C 1.722 177.882 176.300 -0.234 0.000 1.067 77 M CA 1.364 56.607 55.300 -0.096 0.000 1.131 77 M CB 0.217 32.781 32.600 -0.060 0.000 1.368 77 M HN -0.001 nan 8.290 nan 0.000 0.416 78 E N -0.092 119.872 120.200 -0.395 0.000 2.219 78 E HA -0.144 4.206 4.350 0.000 0.000 0.198 78 E C 1.848 178.168 176.600 -0.468 0.000 0.998 78 E CA 1.470 57.527 56.400 -0.572 0.000 0.818 78 E CB -0.395 28.618 29.700 -1.145 0.000 0.741 78 E HN 0.580 nan 8.360 nan 0.000 0.477 79 A N -0.204 122.330 122.820 -0.478 0.000 1.930 79 A HA -0.061 4.260 4.320 0.000 0.000 0.215 79 A C 2.339 179.752 177.584 -0.285 0.000 1.176 79 A CA 0.917 52.689 52.037 -0.441 0.000 0.632 79 A CB -0.247 18.418 19.000 -0.558 0.000 0.819 79 A HN 0.153 nan 8.150 nan 0.000 0.445 80 V N 1.021 120.804 119.914 -0.219 0.000 2.515 80 V HA -0.217 3.904 4.120 0.000 0.000 0.250 80 V C 2.212 178.187 176.094 -0.198 0.000 1.058 80 V CA 1.886 64.076 62.300 -0.184 0.000 1.064 80 V CB -1.076 30.679 31.823 -0.113 0.000 0.675 80 V HN 0.501 nan 8.190 nan 0.000 0.461 81 N N 0.738 119.319 118.700 -0.198 0.000 2.036 81 N HA -0.172 4.568 4.740 0.000 0.000 0.195 81 N C 1.732 177.128 175.510 -0.191 0.000 1.037 81 N CA 1.563 54.507 53.050 -0.176 0.000 0.855 81 N CB -0.612 37.769 38.487 -0.178 0.000 1.033 81 N HN 0.385 nan 8.380 nan 0.000 0.423 82 L N 0.461 121.550 121.223 -0.223 0.000 2.187 82 L HA -0.126 4.214 4.340 0.000 0.000 0.213 82 L C 1.893 178.599 176.870 -0.272 0.000 1.100 82 L CA 0.643 55.349 54.840 -0.223 0.000 0.765 82 L CB -0.384 41.536 42.059 -0.230 0.000 0.904 82 L HN 0.184 nan 8.230 nan 0.000 0.437 83 L N -1.237 119.782 121.223 -0.341 0.000 2.456 83 L HA -0.119 4.221 4.340 0.000 0.000 0.224 83 L C 2.156 178.821 176.870 -0.342 0.000 1.148 83 L CA 0.562 55.117 54.840 -0.475 0.000 0.825 83 L CB -0.280 41.450 42.059 -0.548 0.000 0.937 83 L HN 0.177 nan 8.230 nan 0.000 0.450 84 S N -1.785 113.768 115.700 -0.245 0.000 2.503 84 S HA 0.013 4.483 4.470 0.000 0.000 0.215 84 S C 1.008 175.501 174.600 -0.179 0.000 1.003 84 S CA -0.150 57.937 58.200 -0.188 0.000 0.910 84 S CB 0.222 63.343 63.200 -0.133 0.000 0.790 84 S HN 0.355 nan 8.310 nan 0.000 0.514 85 S N 2.208 117.801 115.700 -0.178 0.000 2.559 85 S HA 0.060 4.530 4.470 0.000 0.000 0.282 85 S C 1.024 175.546 174.600 -0.130 0.000 1.336 85 S CA -0.279 57.848 58.200 -0.123 0.000 1.037 85 S CB 0.224 63.361 63.200 -0.104 0.000 0.853 85 S HN 0.294 nan 8.310 nan 0.000 0.523 86 N N 2.225 120.918 118.700 -0.012 0.000 2.422 86 N HA 0.054 4.794 4.740 0.000 0.000 0.181 86 N C -0.052 175.600 175.510 0.237 0.000 1.080 86 N CA 0.391 53.514 53.050 0.121 0.000 0.893 86 N CB 0.022 38.597 38.487 0.146 0.000 0.973 86 N HN 0.518 nan 8.380 nan 0.000 0.456 87 R N 0.790 121.363 120.500 0.123 0.000 2.234 87 R HA 0.035 4.375 4.340 0.000 0.000 0.324 87 R C 0.758 177.166 176.300 0.180 0.000 1.054 87 R CA -0.350 55.845 56.100 0.158 0.000 0.912 87 R CB 0.647 31.000 30.300 0.088 0.000 1.030 87 R HN 0.165 nan 8.270 nan 0.000 0.455 88 Y N 3.708 124.115 120.300 0.179 0.000 2.053 88 Y HA -0.339 4.211 4.550 0.000 0.000 0.277 88 Y C 2.502 178.456 175.900 0.090 0.000 1.159 88 Y CA 2.581 60.789 58.100 0.179 0.000 1.125 88 Y CB -0.362 38.188 38.460 0.150 0.000 0.969 88 Y HN 0.710 nan 8.280 nan 0.000 0.492 89 T N -1.888 112.643 114.554 -0.038 0.000 2.897 89 T HA -0.199 4.151 4.350 0.000 0.000 0.271 89 T C 1.483 176.058 174.700 -0.209 0.000 1.084 89 T CA 1.820 63.810 62.100 -0.183 0.000 1.123 89 T CB -0.443 68.441 68.868 0.027 0.000 0.865 89 T HN 0.664 nan 8.240 nan 0.000 0.496 90 E N 0.823 120.938 120.200 -0.142 0.000 2.042 90 E HA 0.018 4.368 4.350 0.000 0.000 0.189 90 E C 2.490 178.975 176.600 -0.192 0.000 0.974 90 E CA 0.654 56.969 56.400 -0.142 0.000 0.806 90 E CB -0.018 29.627 29.700 -0.092 0.000 0.769 90 E HN 0.512 nan 8.360 nan 0.000 0.451 91 K N 1.044 121.324 120.400 -0.199 0.000 2.044 91 K HA -0.226 4.094 4.320 0.000 0.000 0.210 91 K C 2.338 178.850 176.600 -0.145 0.000 1.049 91 K CA 1.222 57.386 56.287 -0.205 0.000 0.927 91 K CB -0.149 32.274 32.500 -0.128 0.000 0.713 91 K HN 0.094 nan 8.250 nan 0.000 0.443 92 Q N 0.989 120.624 119.800 -0.275 0.000 2.045 92 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 92 Q C 2.067 178.013 176.000 -0.091 0.000 0.991 92 Q CA 1.629 57.282 55.803 -0.250 0.000 0.851 92 Q CB -0.101 28.286 28.738 -0.584 0.000 0.911 92 Q HN 0.398 nan 8.270 nan 0.000 0.418 93 I N -0.337 120.160 120.570 -0.121 0.000 2.353 93 I HA -0.157 4.013 4.170 0.000 0.000 0.248 93 I C 2.327 178.427 176.117 -0.028 0.000 1.119 93 I CA 0.855 62.124 61.300 -0.051 0.000 1.417 93 I CB -0.614 37.343 38.000 -0.071 0.000 1.078 93 I HN 0.284 nan 8.210 nan 0.000 0.421 94 G N 0.192 108.919 108.800 -0.123 0.000 2.446 94 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 94 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 94 G C 1.576 176.424 174.900 -0.086 0.000 1.168 94 G CA 0.705 45.702 45.100 -0.172 0.000 0.771 94 G HN 0.309 nan 8.290 nan 0.000 0.551 95 Y N -0.410 119.867 120.300 -0.039 0.000 2.200 95 Y HA -0.046 4.504 4.550 0.000 0.000 0.290 95 Y C 2.648 178.553 175.900 0.009 0.000 1.137 95 Y CA 0.665 58.754 58.100 -0.020 0.000 1.163 95 Y CB -0.124 38.309 38.460 -0.045 0.000 0.988 95 Y HN 0.214 nan 8.280 nan 0.000 0.518 96 L N -0.496 120.827 121.223 0.167 0.000 2.017 96 L HA -0.239 4.101 4.340 0.000 0.000 0.208 96 L C 2.142 179.057 176.870 0.076 0.000 1.073 96 L CA 1.633 56.535 54.840 0.102 0.000 0.745 96 L CB -1.185 40.920 42.059 0.076 0.000 0.894 96 L HN 0.242 nan 8.230 nan 0.000 0.432 97 F N 0.818 120.735 119.950 -0.055 0.000 2.065 97 F HA -0.283 4.244 4.527 0.000 0.000 0.298 97 F C 2.279 178.004 175.800 -0.125 0.000 1.112 97 F CA 2.584 60.513 58.000 -0.119 0.000 1.212 97 F CB -0.290 38.614 39.000 -0.160 0.000 0.975 97 F HN 0.262 nan 8.300 nan 0.000 0.476 98 I N -2.612 118.061 120.570 0.171 0.000 3.001 98 I HA -0.073 4.098 4.170 0.000 0.000 0.268 98 I C 1.964 178.101 176.117 0.032 0.000 1.267 98 I CA 1.053 62.420 61.300 0.112 0.000 1.472 98 I CB -0.640 37.454 38.000 0.156 0.000 1.089 98 I HN 0.003 nan 8.210 nan 0.000 0.468 99 S N 1.433 117.149 115.700 0.028 0.000 2.348 99 S HA -0.038 4.432 4.470 0.000 0.000 0.219 99 S C 2.063 176.632 174.600 -0.052 0.000 1.033 99 S CA 1.346 59.554 58.200 0.014 0.000 0.974 99 S CB -0.230 62.993 63.200 0.038 0.000 0.868 99 S HN 0.359 nan 8.310 nan 0.000 0.459 100 V N 1.556 121.399 119.914 -0.118 0.000 2.307 100 V HA -0.031 4.089 4.120 0.000 0.000 0.245 100 V C 0.417 176.330 176.094 -0.301 0.000 1.045 100 V CA 1.234 63.434 62.300 -0.167 0.000 1.024 100 V CB -0.594 31.107 31.823 -0.204 0.000 0.651 100 V HN 0.301 nan 8.190 nan 0.000 0.449 101 L N 1.087 121.992 121.223 -0.531 0.000 2.321 101 L HA 0.412 4.752 4.340 0.000 0.000 0.272 101 L C -0.285 176.482 176.870 -0.171 0.000 1.050 101 L CA 0.216 54.716 54.840 -0.568 0.000 0.893 101 L CB 0.632 42.064 42.059 -1.044 0.000 1.272 101 L HN -0.041 nan 8.230 nan 0.000 0.435 102 V N 0.943 120.809 119.914 -0.080 0.000 3.234 102 V HA 0.659 4.779 4.120 0.000 0.000 0.317 102 V C 0.073 176.152 176.094 -0.026 0.000 1.081 102 V CA -0.814 61.480 62.300 -0.012 0.000 1.037 102 V CB 1.648 33.468 31.823 -0.004 0.000 1.148 102 V HN 0.904 nan 8.190 nan 0.000 0.453 103 N N -1.317 117.356 118.700 -0.044 0.000 2.825 103 N HA 0.222 4.962 4.740 0.000 0.000 0.253 103 N C -0.172 175.307 175.510 -0.051 0.000 1.426 103 N CA -0.445 52.557 53.050 -0.081 0.000 0.851 103 N CB 1.874 40.241 38.487 -0.201 0.000 1.470 103 N HN 0.416 nan 8.380 nan 0.000 0.517 104 S N -0.782 114.889 115.700 -0.049 0.000 2.603 104 S HA -0.047 4.423 4.470 0.000 0.000 0.220 104 S C 0.626 175.206 174.600 -0.034 0.000 0.967 104 S CA -0.328 57.854 58.200 -0.031 0.000 0.920 104 S CB -0.718 62.468 63.200 -0.024 0.000 0.773 104 S HN 0.614 nan 8.310 nan 0.000 0.529 105 N N 2.738 121.406 118.700 -0.054 0.000 2.394 105 N HA -0.030 4.710 4.740 0.000 0.000 0.288 105 N C 0.899 176.391 175.510 -0.029 0.000 1.272 105 N CA 0.035 53.056 53.050 -0.048 0.000 1.004 105 N CB 0.364 38.806 38.487 -0.074 0.000 1.393 105 N HN 0.296 nan 8.380 nan 0.000 0.488 106 S N 2.681 118.369 115.700 -0.021 0.000 2.400 106 S HA -0.307 4.163 4.470 0.000 0.000 0.234 106 S C 1.555 176.149 174.600 -0.011 0.000 1.049 106 S CA 1.567 59.759 58.200 -0.014 0.000 1.039 106 S CB -0.212 62.980 63.200 -0.013 0.000 0.856 106 S HN 0.767 nan 8.310 nan 0.000 0.465 107 E N 1.856 122.048 120.200 -0.013 0.000 2.015 107 E HA -0.023 4.327 4.350 0.000 0.000 0.191 107 E C 1.962 178.559 176.600 -0.006 0.000 0.991 107 E CA 1.073 57.467 56.400 -0.010 0.000 0.802 107 E CB -0.597 29.096 29.700 -0.012 0.000 0.759 107 E HN 0.545 nan 8.360 nan 0.000 0.447 108 L N 0.142 121.359 121.223 -0.010 0.000 2.081 108 L HA -0.190 4.150 4.340 0.000 0.000 0.212 108 L C 2.456 179.335 176.870 0.016 0.000 1.080 108 L CA 0.844 55.683 54.840 -0.001 0.000 0.754 108 L CB -0.457 41.596 42.059 -0.010 0.000 0.893 108 L HN 0.244 nan 8.230 nan 0.000 0.433 109 I N -0.633 119.945 120.570 0.013 0.000 2.335 109 I HA -0.267 3.903 4.170 0.000 0.000 0.251 109 I C 2.678 178.821 176.117 0.044 0.000 1.129 109 I CA 1.515 62.833 61.300 0.031 0.000 1.402 109 I CB -0.359 37.652 38.000 0.018 0.000 1.069 109 I HN 0.137 nan 8.210 nan 0.000 0.424 110 R N -0.553 119.963 120.500 0.027 0.000 2.254 110 R HA 0.175 4.515 4.340 0.000 0.000 0.193 110 R C 2.185 178.506 176.300 0.035 0.000 0.929 110 R CA 0.141 56.258 56.100 0.028 0.000 1.038 110 R CB 0.148 30.452 30.300 0.006 0.000 1.009 110 R HN 0.274 nan 8.270 nan 0.000 0.512 111 L N 0.617 121.853 121.223 0.022 0.000 2.083 111 L HA -0.166 4.174 4.340 0.000 0.000 0.209 111 L C 2.133 179.018 176.870 0.024 0.000 1.083 111 L CA 1.360 56.208 54.840 0.012 0.000 0.752 111 L CB -0.111 41.945 42.059 -0.005 0.000 0.899 111 L HN 0.239 nan 8.230 nan 0.000 0.433 112 I N -0.577 120.019 120.570 0.044 0.000 2.333 112 I HA -0.227 3.943 4.170 0.000 0.000 0.246 112 I C 1.954 178.153 176.117 0.136 0.000 1.106 112 I CA 0.706 62.044 61.300 0.064 0.000 1.411 112 I CB -0.232 37.816 38.000 0.080 0.000 1.082 112 I HN 0.305 nan 8.210 nan 0.000 0.420 113 N N 1.070 119.879 118.700 0.182 0.000 2.289 113 N HA -0.179 4.561 4.740 0.000 0.000 0.184 113 N C 1.532 177.237 175.510 0.326 0.000 1.016 113 N CA 1.152 54.415 53.050 0.356 0.000 0.872 113 N CB -0.538 38.087 38.487 0.230 0.000 0.973 113 N HN 0.297 nan 8.380 nan 0.000 0.433 114 N N 0.581 119.377 118.700 0.160 0.000 2.080 114 N HA 0.002 4.742 4.740 0.000 0.000 0.189 114 N C 1.613 177.179 175.510 0.093 0.000 1.036 114 N CA 1.374 54.492 53.050 0.114 0.000 0.846 114 N CB -0.318 38.202 38.487 0.054 0.000 1.015 114 N HN 0.211 nan 8.380 nan 0.000 0.423 115 A N 0.784 123.636 122.820 0.053 0.000 1.892 115 A HA -0.176 4.144 4.320 0.000 0.000 0.218 115 A C 2.229 179.854 177.584 0.068 0.000 1.188 115 A CA 1.389 53.434 52.037 0.013 0.000 0.631 115 A CB -0.956 18.002 19.000 -0.069 0.000 0.822 115 A HN 0.353 nan 8.150 nan 0.000 0.447 116 I N -0.403 120.229 120.570 0.103 0.000 2.226 116 I HA -0.274 3.896 4.170 0.000 0.000 0.245 116 I C 2.567 178.649 176.117 -0.059 0.000 1.100 116 I CA 1.856 63.153 61.300 -0.005 0.000 1.374 116 I CB -0.325 37.562 38.000 -0.189 0.000 1.057 116 I HN 0.488 nan 8.210 nan 0.000 0.413 117 K N 1.332 121.812 120.400 0.134 0.000 2.032 117 K HA -0.244 4.076 4.320 0.000 0.000 0.209 117 K C 1.864 178.532 176.600 0.113 0.000 1.048 117 K CA 2.076 58.505 56.287 0.235 0.000 0.927 117 K CB -0.134 32.537 32.500 0.285 0.000 0.712 117 K HN 0.209 nan 8.250 nan 0.000 0.441 118 N N 1.466 120.216 118.700 0.083 0.000 2.058 118 N HA -0.146 4.595 4.740 0.000 0.000 0.191 118 N C 1.424 176.971 175.510 0.061 0.000 1.037 118 N CA 1.708 54.793 53.050 0.060 0.000 0.848 118 N CB -0.536 37.971 38.487 0.033 0.000 1.021 118 N HN 0.283 nan 8.380 nan 0.000 0.422 119 D N 0.481 120.910 120.400 0.049 0.000 2.123 119 D HA -0.091 4.549 4.640 0.000 0.000 0.196 119 D C 2.077 178.423 176.300 0.077 0.000 0.992 119 D CA 0.498 54.545 54.000 0.077 0.000 0.833 119 D CB -0.363 40.479 40.800 0.069 0.000 0.954 119 D HN 0.216 nan 8.370 nan 0.000 0.455 120 L N 0.374 121.605 121.223 0.014 0.000 2.127 120 L HA -0.176 4.164 4.340 0.000 0.000 0.211 120 L C 2.215 179.108 176.870 0.039 0.000 1.089 120 L CA 1.165 56.004 54.840 -0.002 0.000 0.757 120 L CB -0.165 41.866 42.059 -0.046 0.000 0.899 120 L HN 0.001 nan 8.230 nan 0.000 0.434 121 A N -1.149 121.706 122.820 0.060 0.000 2.147 121 A HA -0.045 4.275 4.320 0.000 0.000 0.211 121 A C 2.292 179.917 177.584 0.069 0.000 1.160 121 A CA 0.758 52.833 52.037 0.062 0.000 0.781 121 A CB -0.247 18.793 19.000 0.066 0.000 0.842 121 A HN 0.449 nan 8.150 nan 0.000 0.475 122 S N -0.390 115.368 115.700 0.096 0.000 2.500 122 S HA -0.124 4.346 4.470 0.000 0.000 0.239 122 S C 1.133 175.783 174.600 0.082 0.000 0.989 122 S CA 0.789 59.062 58.200 0.121 0.000 0.951 122 S CB -0.501 62.841 63.200 0.236 0.000 0.759 122 S HN 0.559 nan 8.310 nan 0.000 0.523 123 R N 0.441 120.976 120.500 0.058 0.000 3.989 123 R HA -0.165 4.175 4.340 0.000 0.000 0.335 123 R C -0.389 175.910 176.300 -0.001 0.000 1.223 123 R CA 0.954 57.070 56.100 0.025 0.000 0.962 123 R CB -2.125 28.186 30.300 0.020 0.000 1.393 123 R HN 0.637 nan 8.270 nan 0.000 0.554 124 N N 0.761 119.463 118.700 0.002 0.000 2.408 124 N HA 0.114 4.854 4.740 0.000 0.000 0.257 124 N C -1.744 173.710 175.510 -0.093 0.000 1.064 124 N CA -2.134 50.850 53.050 -0.110 0.000 0.952 124 N CB 1.407 39.737 38.487 -0.261 0.000 1.093 124 N HN -0.177 nan 8.380 nan 0.000 0.490 125 P HA -0.020 nan 4.420 nan 0.000 0.216 125 P C 1.135 178.394 177.300 -0.070 0.000 1.153 125 P CA 1.174 64.230 63.100 -0.074 0.000 0.844 125 P CB 0.214 31.867 31.700 -0.078 0.000 0.787 126 T N -0.655 113.826 114.554 -0.122 0.000 2.665 126 T HA -0.165 4.185 4.350 0.000 0.000 0.268 126 T C 1.553 176.337 174.700 0.140 0.000 1.035 126 T CA 1.397 63.461 62.100 -0.060 0.000 1.151 126 T CB -1.063 67.721 68.868 -0.140 0.000 0.862 126 T HN 0.090 nan 8.240 nan 0.000 0.438 127 F N 0.668 120.626 119.950 0.013 0.000 2.113 127 F HA -0.060 4.467 4.527 0.000 0.000 0.297 127 F C 2.705 178.478 175.800 -0.045 0.000 1.103 127 F CA 0.570 58.583 58.000 0.022 0.000 1.248 127 F CB -0.398 38.626 39.000 0.041 0.000 0.999 127 F HN 0.087 nan 8.300 nan 0.000 0.475 128 M N 0.367 120.052 119.600 0.141 0.000 2.144 128 M HA -0.186 4.294 4.480 0.000 0.000 0.260 128 M C 2.452 178.721 176.300 -0.051 0.000 1.067 128 M CA 1.825 57.140 55.300 0.024 0.000 1.095 128 M CB -1.108 31.494 32.600 0.004 0.000 1.365 128 M HN 0.276 nan 8.290 nan 0.000 0.406 129 G N 0.312 109.070 108.800 -0.069 0.000 2.434 129 G HA2 -0.165 3.795 3.960 0.000 0.000 0.214 129 G HA3 -0.165 3.795 3.960 0.000 0.000 0.214 129 G C 1.452 176.167 174.900 -0.307 0.000 1.202 129 G CA 0.326 45.316 45.100 -0.182 0.000 0.788 129 G HN 0.329 nan 8.290 nan 0.000 0.539 130 L N 0.705 121.778 121.223 -0.251 0.000 2.064 130 L HA -0.271 4.069 4.340 0.000 0.000 0.216 130 L C 3.354 179.784 176.870 -0.735 0.000 1.077 130 L CA 1.476 56.090 54.840 -0.377 0.000 0.766 130 L CB -0.315 41.662 42.059 -0.136 0.000 0.890 130 L HN 0.368 nan 8.230 nan 0.000 0.435 131 A N -0.432 122.057 122.820 -0.552 0.000 1.855 131 A HA -0.114 4.206 4.320 0.000 0.000 0.213 131 A C 2.168 179.546 177.584 -0.343 0.000 1.195 131 A CA 0.956 52.666 52.037 -0.545 0.000 0.610 131 A CB -0.650 18.179 19.000 -0.284 0.000 0.837 131 A HN 0.323 nan 8.150 nan 0.000 0.444 132 L N -0.897 120.209 121.223 -0.196 0.000 2.051 132 L HA -0.295 4.045 4.340 0.000 0.000 0.214 132 L C 2.646 179.513 176.870 -0.005 0.000 1.076 132 L CA 1.821 56.610 54.840 -0.085 0.000 0.758 132 L CB -0.815 41.248 42.059 0.006 0.000 0.890 132 L HN 0.569 nan 8.230 nan 0.000 0.433 133 H N -1.956 116.997 119.070 -0.195 0.000 2.326 133 H HA -0.221 4.335 4.556 0.000 0.000 0.301 133 H C 2.505 177.737 175.328 -0.161 0.000 1.081 133 H CA 1.486 57.441 56.048 -0.155 0.000 1.334 133 H CB -0.105 29.575 29.762 -0.136 0.000 1.385 133 H HN 0.460 nan 8.280 nan 0.000 0.504 134 C N 1.117 120.344 119.300 -0.121 0.000 2.401 134 C HA -0.174 4.286 4.460 0.000 0.000 0.276 134 C C 2.791 177.749 174.990 -0.054 0.000 1.233 134 C CA 0.910 59.870 59.018 -0.096 0.000 1.753 134 C CB -1.317 26.329 27.740 -0.156 0.000 2.029 134 C HN 0.428 nan 8.230 nan 0.000 0.478 135 I N 0.974 121.485 120.570 -0.098 0.000 2.335 135 I HA -0.190 3.980 4.170 0.000 0.000 0.251 135 I C 2.585 178.687 176.117 -0.026 0.000 1.129 135 I CA 1.769 63.034 61.300 -0.058 0.000 1.402 135 I CB -0.297 37.636 38.000 -0.112 0.000 1.069 135 I HN 0.456 nan 8.210 nan 0.000 0.424 136 A N -0.250 122.539 122.820 -0.051 0.000 2.147 136 A HA 0.021 4.341 4.320 0.000 0.000 0.211 136 A C 1.851 179.402 177.584 -0.054 0.000 1.160 136 A CA 0.490 52.492 52.037 -0.058 0.000 0.781 136 A CB -0.192 18.745 19.000 -0.105 0.000 0.842 136 A HN 0.313 nan 8.150 nan 0.000 0.475 137 N N -0.290 118.384 118.700 -0.044 0.000 2.415 137 N HA 0.000 4.740 4.740 0.000 0.000 0.176 137 N C 1.451 176.955 175.510 -0.010 0.000 1.042 137 N CA 1.172 54.203 53.050 -0.031 0.000 0.902 137 N CB 0.331 38.807 38.487 -0.018 0.000 0.986 137 N HN 0.274 nan 8.380 nan 0.000 0.447 138 V N -0.389 119.526 119.914 0.001 0.000 2.521 138 V HA 0.189 4.309 4.120 0.000 0.000 0.239 138 V C 1.463 177.568 176.094 0.019 0.000 1.053 138 V CA 1.120 63.429 62.300 0.016 0.000 1.073 138 V CB -0.792 31.052 31.823 0.035 0.000 0.746 138 V HN 0.321 nan 8.190 nan 0.000 0.476 139 G N 2.006 110.821 108.800 0.025 0.000 2.233 139 G HA2 -0.302 3.658 3.960 0.000 0.000 0.270 139 G HA3 -0.302 3.658 3.960 0.000 0.000 0.270 139 G C 0.434 175.355 174.900 0.035 0.000 1.011 139 G CA 0.634 45.752 45.100 0.030 0.000 0.762 139 G HN 0.932 nan 8.290 nan 0.000 0.511 140 S N -0.936 114.790 115.700 0.044 0.000 2.560 140 S HA 0.341 4.811 4.470 0.000 0.000 0.284 140 S C 1.535 176.156 174.600 0.036 0.000 1.327 140 S CA 0.633 58.855 58.200 0.037 0.000 1.055 140 S CB 1.485 64.710 63.200 0.042 0.000 0.868 140 S HN 0.735 nan 8.310 nan 0.000 0.506 141 R N 2.114 122.626 120.500 0.020 0.000 2.119 141 R HA -0.182 4.158 4.340 0.000 0.000 0.246 141 R C 1.689 177.994 176.300 0.009 0.000 1.146 141 R CA 2.360 58.466 56.100 0.011 0.000 0.962 141 R CB -0.994 29.306 30.300 0.001 0.000 0.863 141 R HN 0.848 nan 8.270 nan 0.000 0.442 142 E N -0.402 119.805 120.200 0.012 0.000 2.219 142 E HA -0.194 4.156 4.350 0.000 0.000 0.198 142 E C 1.864 178.464 176.600 0.000 0.000 0.998 142 E CA 1.972 58.373 56.400 0.001 0.000 0.818 142 E CB -0.137 29.570 29.700 0.012 0.000 0.741 142 E HN 0.468 nan 8.360 nan 0.000 0.477 143 M N -0.860 118.778 119.600 0.062 0.000 2.299 143 M HA 0.077 4.557 4.480 0.000 0.000 0.264 143 M C 2.321 178.688 176.300 0.112 0.000 1.095 143 M CA 0.982 56.376 55.300 0.157 0.000 1.165 143 M CB -0.112 32.649 32.600 0.268 0.000 1.349 143 M HN 0.160 nan 8.290 nan 0.000 0.446 144 A N 0.825 123.693 122.820 0.081 0.000 1.940 144 A HA -0.248 4.072 4.320 0.000 0.000 0.221 144 A C 1.931 179.516 177.584 0.001 0.000 1.190 144 A CA 2.094 54.164 52.037 0.055 0.000 0.647 144 A CB -0.870 18.149 19.000 0.032 0.000 0.821 144 A HN 0.555 nan 8.150 nan 0.000 0.457 145 E N -0.749 119.427 120.200 -0.041 0.000 2.077 145 E HA -0.146 4.205 4.350 0.000 0.000 0.193 145 E C 2.317 178.817 176.600 -0.168 0.000 0.989 145 E CA 1.131 57.483 56.400 -0.080 0.000 0.800 145 E CB -0.268 29.387 29.700 -0.075 0.000 0.746 145 E HN 0.655 nan 8.360 nan 0.000 0.452 146 A N -0.095 122.523 122.820 -0.336 0.000 1.970 146 A HA -0.023 4.297 4.320 0.000 0.000 0.216 146 A C 1.459 178.587 177.584 -0.761 0.000 1.170 146 A CA 0.848 52.471 52.037 -0.689 0.000 0.645 146 A CB -0.128 18.176 19.000 -1.160 0.000 0.816 146 A HN 0.213 nan 8.150 nan 0.000 0.447 147 F N -2.215 117.736 119.950 0.002 0.000 2.817 147 F HA 0.370 4.897 4.527 0.000 0.000 0.333 147 F C 2.207 177.996 175.800 -0.018 0.000 1.085 147 F CA 0.138 58.134 58.000 -0.006 0.000 1.170 147 F CB 0.165 39.161 39.000 -0.006 0.000 1.066 147 F HN 0.154 nan 8.300 nan 0.000 0.564 148 A N 0.902 123.786 122.820 0.107 0.000 1.948 148 A HA -0.123 4.197 4.320 0.000 0.000 0.220 148 A C 2.458 180.060 177.584 0.029 0.000 1.177 148 A CA 2.147 54.220 52.037 0.060 0.000 0.636 148 A CB -1.384 17.643 19.000 0.044 0.000 0.815 148 A HN 0.412 nan 8.150 nan 0.000 0.449 149 G N -1.168 107.653 108.800 0.034 0.000 2.448 149 G HA2 -0.092 3.868 3.960 0.000 0.000 0.218 149 G HA3 -0.092 3.868 3.960 0.000 0.000 0.218 149 G C 1.421 176.332 174.900 0.018 0.000 1.135 149 G CA 0.877 45.995 45.100 0.031 0.000 0.784 149 G HN 0.639 nan 8.290 nan 0.000 0.543 150 E N -0.328 119.901 120.200 0.047 0.000 2.250 150 E HA 0.059 4.409 4.350 0.000 0.000 0.192 150 E C 2.350 178.944 176.600 -0.009 0.000 0.986 150 E CA -0.205 56.222 56.400 0.045 0.000 0.849 150 E CB 0.100 29.867 29.700 0.112 0.000 0.797 150 E HN 0.228 nan 8.360 nan 0.000 0.482 151 I N 1.314 121.865 120.570 -0.031 0.000 2.142 151 I HA -0.167 4.003 4.170 0.000 0.000 0.240 151 I C -0.737 175.271 176.117 -0.181 0.000 1.078 151 I CA 1.300 62.547 61.300 -0.088 0.000 1.343 151 I CB -2.171 35.777 38.000 -0.086 0.000 1.046 151 I HN 0.025 nan 8.210 nan 0.000 0.405 152 P HA -0.170 nan 4.420 nan 0.000 0.215 152 P C 1.698 178.839 177.300 -0.265 0.000 1.153 152 P CA 1.635 64.401 63.100 -0.556 0.000 0.853 152 P CB -0.086 30.951 31.700 -1.105 0.000 0.788 153 K N -0.682 119.632 120.400 -0.144 0.000 2.089 153 K HA -0.172 4.148 4.320 0.000 0.000 0.210 153 K C 2.041 178.630 176.600 -0.018 0.000 1.048 153 K CA 1.435 57.704 56.287 -0.030 0.000 0.926 153 K CB -0.698 31.804 32.500 0.004 0.000 0.714 153 K HN 0.178 nan 8.250 nan 0.000 0.448 154 I N 0.529 121.076 120.570 -0.037 0.000 2.110 154 I HA -0.290 3.880 4.170 0.000 0.000 0.236 154 I C 2.290 178.392 176.117 -0.025 0.000 1.068 154 I CA 0.645 61.930 61.300 -0.025 0.000 1.333 154 I CB -0.435 37.544 38.000 -0.035 0.000 1.054 154 I HN 0.101 nan 8.210 nan 0.000 0.402 155 L N 1.198 122.389 121.223 -0.053 0.000 2.054 155 L HA -0.238 4.102 4.340 0.000 0.000 0.220 155 L C 2.371 179.247 176.870 0.011 0.000 1.081 155 L CA 2.488 57.304 54.840 -0.039 0.000 0.780 155 L CB -0.693 41.315 42.059 -0.085 0.000 0.893 155 L HN 0.345 nan 8.230 nan 0.000 0.438 156 V N -3.153 116.782 119.914 0.035 0.000 3.354 156 V HA 0.409 4.529 4.120 0.000 0.000 0.258 156 V C 1.418 177.558 176.094 0.076 0.000 1.159 156 V CA 0.087 62.441 62.300 0.091 0.000 1.125 156 V CB -1.531 30.385 31.823 0.155 0.000 0.774 156 V HN 0.458 nan 8.190 nan 0.000 0.464 157 A N 1.378 124.228 122.820 0.050 0.000 2.587 157 A HA 0.410 4.731 4.320 0.000 0.000 0.233 157 A C 1.724 179.334 177.584 0.042 0.000 1.049 157 A CA 0.772 52.834 52.037 0.043 0.000 0.754 157 A CB -0.131 18.886 19.000 0.027 0.000 0.977 157 A HN 0.716 nan 8.150 nan 0.000 0.509 158 G N 1.057 109.882 108.800 0.043 0.000 2.404 158 G HA2 -0.195 3.766 3.960 0.000 0.000 0.215 158 G HA3 -0.195 3.766 3.960 0.000 0.000 0.215 158 G C 0.938 175.856 174.900 0.031 0.000 1.174 158 G CA 1.056 46.181 45.100 0.043 0.000 0.780 158 G HN 0.932 nan 8.290 nan 0.000 0.537 159 D N 0.566 120.980 120.400 0.023 0.000 2.363 159 D HA -0.027 4.613 4.640 0.000 0.000 0.226 159 D C 0.176 176.480 176.300 0.007 0.000 1.020 159 D CA 0.281 54.290 54.000 0.015 0.000 0.892 159 D CB -0.580 40.228 40.800 0.013 0.000 0.900 159 D HN 0.081 nan 8.370 nan 0.000 0.531 160 T N 2.421 116.978 114.554 0.007 0.000 2.834 160 T HA 0.089 4.439 4.350 0.000 0.000 0.298 160 T C 0.888 175.580 174.700 -0.015 0.000 0.966 160 T CA -0.510 61.587 62.100 -0.005 0.000 1.141 160 T CB 0.870 69.734 68.868 -0.007 0.000 0.905 160 T HN 0.045 nan 8.240 nan 0.000 0.535 161 M N 2.989 122.575 119.600 -0.024 0.000 2.246 161 M HA -0.017 4.463 4.480 0.000 0.000 0.327 161 M C 1.063 177.328 176.300 -0.059 0.000 1.090 161 M CA 0.099 55.379 55.300 -0.034 0.000 1.087 161 M CB 0.155 32.732 32.600 -0.039 0.000 1.587 161 M HN 0.584 nan 8.290 nan 0.000 0.444 162 D N 0.827 121.178 120.400 -0.082 0.000 2.144 162 D HA -0.120 4.520 4.640 0.000 0.000 0.199 162 D C 1.934 178.097 176.300 -0.227 0.000 0.984 162 D CA 1.713 55.599 54.000 -0.192 0.000 0.834 162 D CB -0.065 40.568 40.800 -0.279 0.000 0.955 162 D HN 0.757 nan 8.370 nan 0.000 0.465 163 S N -0.208 115.409 115.700 -0.140 0.000 2.399 163 S HA -0.104 4.366 4.470 0.000 0.000 0.231 163 S C 2.043 176.609 174.600 -0.057 0.000 1.022 163 S CA 0.895 59.042 58.200 -0.088 0.000 0.983 163 S CB -0.290 62.883 63.200 -0.045 0.000 0.803 163 S HN 0.084 nan 8.310 nan 0.000 0.480 164 V N 1.500 121.379 119.914 -0.058 0.000 2.446 164 V HA 0.019 4.139 4.120 0.000 0.000 0.244 164 V C 2.680 178.747 176.094 -0.045 0.000 1.039 164 V CA 1.532 63.808 62.300 -0.040 0.000 1.045 164 V CB -0.623 31.178 31.823 -0.038 0.000 0.681 164 V HN 0.440 nan 8.190 nan 0.000 0.459 165 K N -0.227 120.137 120.400 -0.060 0.000 2.089 165 K HA -0.294 4.026 4.320 0.000 0.000 0.210 165 K C 2.303 178.865 176.600 -0.063 0.000 1.048 165 K CA 2.032 58.284 56.287 -0.059 0.000 0.926 165 K CB -0.187 32.275 32.500 -0.064 0.000 0.714 165 K HN 0.521 nan 8.250 nan 0.000 0.448 166 Q N -0.260 119.491 119.800 -0.082 0.000 1.993 166 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 166 Q C 2.292 178.270 176.000 -0.037 0.000 0.984 166 Q CA 1.789 57.554 55.803 -0.062 0.000 0.837 166 Q CB -0.058 28.643 28.738 -0.060 0.000 0.902 166 Q HN 0.213 nan 8.270 nan 0.000 0.423 167 S N 0.462 116.158 115.700 -0.007 0.000 2.383 167 S HA -0.105 4.365 4.470 0.000 0.000 0.227 167 S C 1.992 176.577 174.600 -0.024 0.000 1.026 167 S CA 0.832 59.040 58.200 0.013 0.000 0.981 167 S CB -0.207 63.088 63.200 0.159 0.000 0.818 167 S HN 0.474 nan 8.310 nan 0.000 0.472 168 A N 1.613 124.414 122.820 -0.031 0.000 1.908 168 A HA 0.020 4.340 4.320 0.000 0.000 0.218 168 A C 2.330 179.872 177.584 -0.070 0.000 1.181 168 A CA 1.802 53.807 52.037 -0.053 0.000 0.627 168 A CB -1.033 17.933 19.000 -0.058 0.000 0.818 168 A HN 0.521 nan 8.150 nan 0.000 0.445 169 A N -0.432 122.350 122.820 -0.063 0.000 1.898 169 A HA 0.033 4.353 4.320 0.000 0.000 0.216 169 A C 2.106 179.650 177.584 -0.067 0.000 1.181 169 A CA 1.392 53.390 52.037 -0.065 0.000 0.620 169 A CB -0.508 18.464 19.000 -0.047 0.000 0.819 169 A HN 0.463 nan 8.150 nan 0.000 0.442 170 L N -1.133 120.050 121.223 -0.067 0.000 2.291 170 L HA -0.139 4.201 4.340 0.000 0.000 0.214 170 L C 2.682 179.509 176.870 -0.071 0.000 1.120 170 L CA 0.755 55.551 54.840 -0.073 0.000 0.799 170 L CB -0.599 41.406 42.059 -0.091 0.000 0.925 170 L HN 0.655 nan 8.230 nan 0.000 0.446 171 C N 0.065 119.323 119.300 -0.071 0.000 2.476 171 C HA -0.125 4.335 4.460 0.000 0.000 0.278 171 C C 2.719 177.686 174.990 -0.038 0.000 1.274 171 C CA 0.398 59.381 59.018 -0.059 0.000 1.713 171 C CB -0.546 27.159 27.740 -0.058 0.000 2.039 171 C HN 0.474 nan 8.230 nan 0.000 0.484 172 L N 0.953 122.143 121.223 -0.055 0.000 2.013 172 L HA -0.112 4.228 4.340 0.000 0.000 0.212 172 L C 2.260 179.137 176.870 0.012 0.000 1.073 172 L CA 1.976 56.784 54.840 -0.053 0.000 0.753 172 L CB -1.143 40.835 42.059 -0.135 0.000 0.890 172 L HN 0.399 nan 8.230 nan 0.000 0.432 173 L N -0.331 120.887 121.223 -0.009 0.000 1.989 173 L HA -0.240 4.100 4.340 0.000 0.000 0.211 173 L C 2.756 179.671 176.870 0.076 0.000 1.071 173 L CA 2.217 57.066 54.840 0.015 0.000 0.749 173 L CB -0.842 41.195 42.059 -0.036 0.000 0.890 173 L HN 0.376 nan 8.230 nan 0.000 0.431 174 R N -0.319 120.200 120.500 0.032 0.000 2.091 174 R HA -0.138 4.202 4.340 0.000 0.000 0.238 174 R C 2.151 178.486 176.300 0.058 0.000 1.136 174 R CA 1.871 57.992 56.100 0.034 0.000 0.959 174 R CB -0.954 29.345 30.300 -0.001 0.000 0.856 174 R HN 0.509 nan 8.270 nan 0.000 0.437 175 L N -0.672 120.588 121.223 0.062 0.000 2.046 175 L HA -0.190 4.150 4.340 0.000 0.000 0.208 175 L C 2.280 179.208 176.870 0.096 0.000 1.077 175 L CA 1.745 56.626 54.840 0.068 0.000 0.747 175 L CB -0.668 41.428 42.059 0.062 0.000 0.896 175 L HN 0.271 nan 8.230 nan 0.000 0.432 176 Y N 0.907 121.218 120.300 0.019 0.000 2.293 176 Y HA -0.172 4.378 4.550 0.000 0.000 0.291 176 Y C 2.662 178.580 175.900 0.029 0.000 1.137 176 Y CA 1.352 59.476 58.100 0.039 0.000 1.202 176 Y CB -0.005 38.486 38.460 0.053 0.000 0.990 176 Y HN -0.003 nan 8.280 nan 0.000 0.537 177 R N -1.185 119.426 120.500 0.185 0.000 2.236 177 R HA -0.029 4.312 4.340 0.000 0.000 0.208 177 R C 1.852 178.156 176.300 0.007 0.000 1.036 177 R CA 1.340 57.499 56.100 0.098 0.000 1.001 177 R CB -0.168 30.196 30.300 0.107 0.000 0.896 177 R HN 0.274 nan 8.270 nan 0.000 0.464 178 T N -0.167 114.389 114.554 0.003 0.000 2.866 178 T HA 0.040 4.390 4.350 0.000 0.000 0.250 178 T C 0.604 175.283 174.700 -0.036 0.000 1.033 178 T CA 0.839 62.934 62.100 -0.009 0.000 1.145 178 T CB 0.287 69.162 68.868 0.011 0.000 0.866 178 T HN 0.050 nan 8.240 nan 0.000 0.434 179 S N 1.428 117.096 115.700 -0.054 0.000 2.293 179 S HA 0.320 4.790 4.470 0.000 0.000 0.154 179 S C -2.348 172.180 174.600 -0.119 0.000 1.602 179 S CA -0.832 57.330 58.200 -0.065 0.000 1.260 179 S CB 1.570 64.754 63.200 -0.026 0.000 1.270 179 S HN 0.132 nan 8.310 nan 0.000 0.416 180 P HA -0.194 nan 4.420 nan 0.000 0.217 180 P C 1.224 178.416 177.300 -0.180 0.000 1.148 180 P CA 1.303 64.155 63.100 -0.414 0.000 0.828 180 P CB 0.021 31.452 31.700 -0.450 0.000 0.783 181 D N 0.030 120.373 120.400 -0.095 0.000 2.104 181 D HA -0.163 4.477 4.640 0.000 0.000 0.194 181 D C 1.913 178.219 176.300 0.010 0.000 0.994 181 D CA 1.153 55.135 54.000 -0.029 0.000 0.830 181 D CB -1.090 39.697 40.800 -0.023 0.000 0.959 181 D HN 0.238 nan 8.370 nan 0.000 0.452 182 L N 0.645 121.873 121.223 0.008 0.000 2.465 182 L HA -0.008 4.332 4.340 0.000 0.000 0.224 182 L C 0.548 177.471 176.870 0.087 0.000 1.145 182 L CA 0.234 55.097 54.840 0.038 0.000 0.834 182 L CB 0.233 42.305 42.059 0.022 0.000 0.944 182 L HN -0.138 nan 8.230 nan 0.000 0.451 183 V N 0.825 120.807 119.914 0.112 0.000 2.288 183 V HA 0.222 4.342 4.120 0.000 0.000 0.266 183 V C -1.771 174.512 176.094 0.315 0.000 1.048 183 V CA -1.487 60.958 62.300 0.241 0.000 0.842 183 V CB 0.037 32.054 31.823 0.322 0.000 1.064 183 V HN 0.040 nan 8.190 nan 0.000 0.472 184 P HA 0.332 nan 4.420 nan 0.000 0.323 184 P C -0.121 177.355 177.300 0.293 0.000 1.319 184 P CA -0.214 63.044 63.100 0.264 0.000 0.741 184 P CB 0.426 32.266 31.700 0.234 0.000 1.545 185 M N -0.766 118.879 119.600 0.074 0.000 2.952 185 M HA 0.318 4.799 4.480 0.000 0.000 0.259 185 M C 0.487 176.508 176.300 -0.466 0.000 1.306 185 M CA -0.607 54.565 55.300 -0.214 0.000 0.626 185 M CB -0.071 32.447 32.600 -0.136 0.000 1.423 185 M HN 0.304 nan 8.290 nan 0.000 0.459 186 G N 1.499 109.909 108.800 -0.650 0.000 2.393 186 G HA2 0.085 4.045 3.960 0.000 0.000 0.268 186 G HA3 0.085 4.045 3.960 0.000 0.000 0.268 186 G C 0.471 175.008 174.900 -0.605 0.000 1.472 186 G CA 0.336 45.132 45.100 -0.507 0.000 1.059 186 G HN 0.616 nan 8.290 nan 0.000 0.555 187 D N -1.724 118.501 120.400 -0.292 0.000 2.323 187 D HA -0.092 4.548 4.640 0.000 0.000 0.209 187 D C 1.960 178.208 176.300 -0.087 0.000 0.973 187 D CA 0.778 54.688 54.000 -0.150 0.000 0.874 187 D CB -0.324 40.471 40.800 -0.008 0.000 0.930 187 D HN 0.686 nan 8.370 nan 0.000 0.521 188 W N 0.861 122.183 121.300 0.037 0.000 2.595 188 W HA 0.050 4.710 4.660 0.000 0.000 0.257 188 W C 0.804 177.369 176.519 0.077 0.000 1.267 188 W CA 0.529 57.907 57.345 0.057 0.000 1.300 188 W CB -1.408 28.093 29.460 0.069 0.000 1.120 188 W HN -0.138 nan 8.180 nan 0.000 0.618 189 T N 2.660 117.034 114.554 -0.299 0.000 2.544 189 T HA -0.338 4.012 4.350 0.000 0.000 0.264 189 T C 2.222 176.925 174.700 0.004 0.000 1.096 189 T CA 3.803 65.773 62.100 -0.215 0.000 1.181 189 T CB -0.748 67.774 68.868 -0.577 0.000 0.864 189 T HN 0.372 nan 8.240 nan 0.000 0.415 190 S N 1.245 116.903 115.700 -0.071 0.000 2.400 190 S HA -0.084 4.386 4.470 0.000 0.000 0.232 190 S C 1.896 176.557 174.600 0.103 0.000 1.025 190 S CA 0.933 59.132 58.200 -0.001 0.000 0.993 190 S CB -0.391 62.781 63.200 -0.046 0.000 0.808 190 S HN 0.411 nan 8.310 nan 0.000 0.478 191 R N 0.120 120.698 120.500 0.130 0.000 2.310 191 R HA 0.281 4.622 4.340 0.000 0.000 0.202 191 R C 1.319 177.768 176.300 0.249 0.000 0.933 191 R CA 0.269 56.481 56.100 0.186 0.000 1.054 191 R CB -0.007 30.383 30.300 0.149 0.000 0.985 191 R HN 0.359 nan 8.270 nan 0.000 0.489 192 V N -0.578 119.505 119.914 0.283 0.000 2.492 192 V HA -0.117 4.003 4.120 0.000 0.000 0.241 192 V C 2.118 178.349 176.094 0.228 0.000 1.041 192 V CA 0.891 63.358 62.300 0.279 0.000 1.057 192 V CB 0.210 32.272 31.823 0.398 0.000 0.711 192 V HN 0.019 nan 8.190 nan 0.000 0.468 193 V N 0.517 120.591 119.914 0.267 0.000 2.324 193 V HA -0.359 3.761 4.120 0.000 0.000 0.250 193 V C 2.434 178.627 176.094 0.165 0.000 1.060 193 V CA 2.738 65.172 62.300 0.223 0.000 1.042 193 V CB -0.939 31.017 31.823 0.223 0.000 0.650 193 V HN 0.787 nan 8.190 nan 0.000 0.450 194 H N -0.411 118.712 119.070 0.088 0.000 2.518 194 H HA -0.045 4.511 4.556 0.000 0.000 0.289 194 H C 1.850 177.212 175.328 0.057 0.000 1.051 194 H CA 1.134 57.219 56.048 0.061 0.000 1.280 194 H CB -0.289 29.505 29.762 0.053 0.000 1.380 194 H HN 0.394 nan 8.280 nan 0.000 0.566 195 L N 0.087 121.314 121.223 0.007 0.000 2.450 195 L HA -0.127 4.213 4.340 0.000 0.000 0.224 195 L C 1.744 178.568 176.870 -0.076 0.000 1.149 195 L CA 0.409 55.222 54.840 -0.046 0.000 0.816 195 L CB -0.184 41.891 42.059 0.027 0.000 0.932 195 L HN 0.419 nan 8.230 nan 0.000 0.449 196 L N -0.578 120.606 121.223 -0.065 0.000 2.376 196 L HA -0.090 4.250 4.340 0.000 0.000 0.219 196 L C 1.273 178.092 176.870 -0.085 0.000 1.133 196 L CA 0.481 55.291 54.840 -0.050 0.000 0.816 196 L CB -0.290 41.762 42.059 -0.012 0.000 0.933 196 L HN 0.346 nan 8.230 nan 0.000 0.449 197 N N -0.827 117.773 118.700 -0.167 0.000 2.268 197 N HA 0.001 4.741 4.740 0.000 0.000 0.204 197 N C 0.187 175.606 175.510 -0.152 0.000 1.124 197 N CA 0.147 53.097 53.050 -0.166 0.000 0.838 197 N CB -0.023 38.331 38.487 -0.221 0.000 0.994 197 N HN 0.240 nan 8.380 nan 0.000 0.489 198 D N 0.891 121.214 120.400 -0.128 0.000 2.414 198 D HA -0.061 4.579 4.640 0.000 0.000 0.242 198 D C 0.980 177.271 176.300 -0.014 0.000 1.129 198 D CA 0.159 54.121 54.000 -0.064 0.000 0.885 198 D CB 1.420 42.204 40.800 -0.027 0.000 1.198 198 D HN 0.121 nan 8.370 nan 0.000 0.437 199 Q N 2.127 121.938 119.800 0.018 0.000 2.077 199 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 199 Q C 0.336 176.365 176.000 0.048 0.000 0.989 199 Q CA 1.298 57.120 55.803 0.032 0.000 0.853 199 Q CB -0.073 28.695 28.738 0.050 0.000 0.907 199 Q HN 0.569 nan 8.270 nan 0.000 0.418 200 H N 0.128 119.189 119.070 -0.014 0.000 2.899 200 H HA 0.049 4.605 4.556 0.000 0.000 0.303 200 H C 0.866 176.139 175.328 -0.093 0.000 1.042 200 H CA -0.244 55.800 56.048 -0.006 0.000 1.479 200 H CB 0.469 30.244 29.762 0.022 0.000 1.493 200 H HN 0.222 nan 8.280 nan 0.000 0.534 201 L N 3.868 124.958 121.223 -0.221 0.000 2.376 201 L HA -0.015 4.325 4.340 0.000 0.000 0.219 201 L C 2.320 179.021 176.870 -0.282 0.000 1.133 201 L CA 0.934 55.526 54.840 -0.414 0.000 0.816 201 L CB -0.252 41.243 42.059 -0.941 0.000 0.933 201 L HN 0.879 nan 8.230 nan 0.000 0.449 202 G N -0.600 108.336 108.800 0.228 0.000 2.430 202 G HA2 -0.105 3.855 3.960 0.000 0.000 0.216 202 G HA3 -0.105 3.855 3.960 0.000 0.000 0.216 202 G C 1.585 176.575 174.900 0.149 0.000 1.146 202 G CA 0.340 45.641 45.100 0.335 0.000 0.793 202 G HN 0.127 nan 8.290 nan 0.000 0.537 203 V N 0.793 120.788 119.914 0.136 0.000 2.229 203 V HA -0.184 3.936 4.120 0.000 0.000 0.243 203 V C 3.013 179.103 176.094 -0.006 0.000 1.042 203 V CA 1.655 63.943 62.300 -0.020 0.000 1.000 203 V CB -0.582 31.210 31.823 -0.051 0.000 0.637 203 V HN 0.229 nan 8.190 nan 0.000 0.446 204 V N -0.132 119.778 119.914 -0.008 0.000 2.277 204 V HA -0.380 3.740 4.120 0.000 0.000 0.253 204 V C 2.538 178.615 176.094 -0.028 0.000 1.067 204 V CA 2.832 65.113 62.300 -0.032 0.000 1.047 204 V CB -1.339 30.449 31.823 -0.058 0.000 0.649 204 V HN 0.632 nan 8.190 nan 0.000 0.447 205 T N -0.033 114.503 114.554 -0.030 0.000 2.684 205 T HA -0.210 4.140 4.350 0.000 0.000 0.267 205 T C 2.029 176.723 174.700 -0.010 0.000 1.036 205 T CA 1.892 63.986 62.100 -0.010 0.000 1.148 205 T CB -0.465 68.412 68.868 0.014 0.000 0.863 205 T HN 0.632 nan 8.240 nan 0.000 0.436 206 A N 1.415 124.227 122.820 -0.013 0.000 1.855 206 A HA 0.171 4.491 4.320 0.000 0.000 0.215 206 A C 2.681 180.245 177.584 -0.033 0.000 1.191 206 A CA 1.917 53.938 52.037 -0.027 0.000 0.613 206 A CB -1.281 17.700 19.000 -0.032 0.000 0.829 206 A HN 0.507 nan 8.150 nan 0.000 0.442 207 A N -1.080 121.725 122.820 -0.025 0.000 1.948 207 A HA -0.167 4.153 4.320 0.000 0.000 0.220 207 A C 2.296 179.859 177.584 -0.034 0.000 1.177 207 A CA 2.535 54.561 52.037 -0.018 0.000 0.636 207 A CB -1.363 17.639 19.000 0.002 0.000 0.815 207 A HN 0.451 nan 8.150 nan 0.000 0.449 208 T N -0.051 114.484 114.554 -0.031 0.000 2.777 208 T HA -0.100 4.250 4.350 0.000 0.000 0.266 208 T C 2.281 176.945 174.700 -0.060 0.000 1.040 208 T CA 1.656 63.734 62.100 -0.037 0.000 1.141 208 T CB -0.314 68.542 68.868 -0.020 0.000 0.868 208 T HN 0.568 nan 8.240 nan 0.000 0.444 209 S N 1.500 117.167 115.700 -0.055 0.000 2.370 209 S HA -0.079 4.391 4.470 0.000 0.000 0.226 209 S C 1.930 176.465 174.600 -0.109 0.000 1.033 209 S CA 0.859 59.018 58.200 -0.068 0.000 1.011 209 S CB -0.531 62.637 63.200 -0.053 0.000 0.852 209 S HN 0.259 nan 8.310 nan 0.000 0.457 210 L N 1.689 122.844 121.223 -0.114 0.000 2.027 210 L HA 0.070 4.410 4.340 0.000 0.000 0.206 210 L C 1.985 178.691 176.870 -0.273 0.000 1.074 210 L CA 1.551 56.294 54.840 -0.162 0.000 0.745 210 L CB -0.488 41.508 42.059 -0.106 0.000 0.898 210 L HN 0.263 nan 8.230 nan 0.000 0.433 211 I N -1.101 119.317 120.570 -0.254 0.000 2.361 211 I HA -0.272 3.898 4.170 0.000 0.000 0.251 211 I C 2.036 177.917 176.117 -0.394 0.000 1.133 211 I CA 1.464 62.511 61.300 -0.422 0.000 1.413 211 I CB -0.441 37.439 38.000 -0.199 0.000 1.073 211 I HN 0.295 nan 8.210 nan 0.000 0.424 212 T N -0.472 113.944 114.554 -0.231 0.000 2.857 212 T HA -0.112 4.238 4.350 0.000 0.000 0.266 212 T C 1.850 176.424 174.700 -0.210 0.000 1.048 212 T CA 1.722 63.715 62.100 -0.179 0.000 1.139 212 T CB -0.165 68.636 68.868 -0.112 0.000 0.874 212 T HN 0.327 nan 8.240 nan 0.000 0.455 213 T N 2.107 116.517 114.554 -0.239 0.000 2.985 213 T HA 0.215 4.565 4.350 0.000 0.000 0.266 213 T C 1.901 176.383 174.700 -0.362 0.000 1.076 213 T CA 0.463 62.423 62.100 -0.232 0.000 1.135 213 T CB -0.150 68.603 68.868 -0.191 0.000 0.890 213 T HN 0.248 nan 8.240 nan 0.000 0.480 214 L N 0.774 121.681 121.223 -0.527 0.000 2.131 214 L HA 0.118 4.458 4.340 0.000 0.000 0.206 214 L C 2.899 179.628 176.870 -0.235 0.000 1.087 214 L CA 0.895 55.412 54.840 -0.538 0.000 0.767 214 L CB -0.624 40.996 42.059 -0.731 0.000 0.917 214 L HN 0.213 nan 8.230 nan 0.000 0.441 215 A N -0.724 121.913 122.820 -0.305 0.000 2.216 215 A HA -0.144 4.176 4.320 0.000 0.000 0.214 215 A C 2.053 179.587 177.584 -0.083 0.000 1.160 215 A CA 0.878 52.882 52.037 -0.055 0.000 0.725 215 A CB -0.290 18.650 19.000 -0.101 0.000 0.784 215 A HN 0.483 nan 8.150 nan 0.000 0.472 216 Q N -0.960 118.792 119.800 -0.079 0.000 2.424 216 Q HA 0.062 4.402 4.340 0.000 0.000 0.204 216 Q C 0.696 176.711 176.000 0.024 0.000 0.933 216 Q CA 0.763 56.535 55.803 -0.050 0.000 0.929 216 Q CB 0.194 28.907 28.738 -0.042 0.000 1.037 216 Q HN 0.629 nan 8.270 nan 0.000 0.511 217 K N -0.435 120.014 120.400 0.081 0.000 2.553 217 K HA 0.197 4.517 4.320 0.000 0.000 0.205 217 K C -0.088 176.599 176.600 0.144 0.000 1.168 217 K CA -0.009 56.348 56.287 0.116 0.000 1.043 217 K CB 0.989 33.587 32.500 0.162 0.000 0.967 217 K HN -0.041 nan 8.250 nan 0.000 0.585 218 N N 0.901 119.703 118.700 0.170 0.000 2.598 218 N HA 0.110 4.850 4.740 0.000 0.000 0.295 218 N C -2.559 173.115 175.510 0.272 0.000 1.729 218 N CA -0.849 52.334 53.050 0.222 0.000 0.877 218 N CB 1.347 40.039 38.487 0.340 0.000 1.405 218 N HN -0.105 nan 8.380 nan 0.000 0.491 219 P HA -0.123 nan 4.420 nan 0.000 0.216 219 P C 1.307 178.809 177.300 0.337 0.000 1.150 219 P CA 1.352 64.585 63.100 0.221 0.000 0.843 219 P CB 0.515 32.280 31.700 0.109 0.000 0.787 220 E N -0.399 119.908 120.200 0.179 0.000 2.150 220 E HA -0.180 4.170 4.350 0.000 0.000 0.193 220 E C 1.965 178.565 176.600 0.001 0.000 0.985 220 E CA 0.974 57.433 56.400 0.098 0.000 0.814 220 E CB -0.575 29.151 29.700 0.043 0.000 0.752 220 E HN 0.372 nan 8.360 nan 0.000 0.466 221 E N -0.642 119.501 120.200 -0.095 0.000 2.204 221 E HA -0.084 4.266 4.350 0.000 0.000 0.194 221 E C 0.813 177.074 176.600 -0.565 0.000 0.989 221 E CA 0.765 56.903 56.400 -0.438 0.000 0.824 221 E CB -0.001 29.249 29.700 -0.750 0.000 0.756 221 E HN 0.190 nan 8.360 nan 0.000 0.477 222 F N -0.731 119.275 119.950 0.093 0.000 2.682 222 F HA 0.287 4.814 4.527 0.000 0.000 0.308 222 F C 1.644 177.483 175.800 0.065 0.000 1.093 222 F CA -0.371 57.699 58.000 0.116 0.000 1.244 222 F CB 0.315 39.417 39.000 0.171 0.000 1.052 222 F HN -0.140 nan 8.300 nan 0.000 0.573 223 K N 0.733 121.188 120.400 0.091 0.000 2.228 223 K HA -0.180 4.140 4.320 0.000 0.000 0.205 223 K C 1.321 177.773 176.600 -0.247 0.000 1.045 223 K CA 1.850 57.961 56.287 -0.293 0.000 0.931 223 K CB -0.234 32.189 32.500 -0.128 0.000 0.727 223 K HN 0.230 nan 8.250 nan 0.000 0.458 224 T N -0.160 114.341 114.554 -0.088 0.000 3.051 224 T HA -0.103 4.247 4.350 0.000 0.000 0.269 224 T C 1.778 176.462 174.700 -0.026 0.000 1.127 224 T CA 1.233 63.301 62.100 -0.054 0.000 1.107 224 T CB -0.153 68.703 68.868 -0.020 0.000 0.898 224 T HN 0.382 nan 8.240 nan 0.000 0.517 225 S N 0.733 116.428 115.700 -0.008 0.000 2.470 225 S HA 0.025 4.495 4.470 0.000 0.000 0.225 225 S C 2.011 176.602 174.600 -0.015 0.000 1.006 225 S CA 0.116 58.340 58.200 0.040 0.000 0.934 225 S CB -0.625 62.661 63.200 0.144 0.000 0.778 225 S HN 0.296 nan 8.310 nan 0.000 0.517 226 V N 2.448 122.289 119.914 -0.122 0.000 2.223 226 V HA -0.180 3.940 4.120 0.000 0.000 0.244 226 V C 3.028 179.096 176.094 -0.043 0.000 1.045 226 V CA 2.108 64.349 62.300 -0.098 0.000 1.000 226 V CB -1.455 30.245 31.823 -0.204 0.000 0.635 226 V HN 0.730 nan 8.190 nan 0.000 0.445 227 S N -0.223 115.444 115.700 -0.054 0.000 2.399 227 S HA -0.286 4.184 4.470 0.000 0.000 0.235 227 S C 1.875 176.471 174.600 -0.007 0.000 1.063 227 S CA 2.531 60.715 58.200 -0.026 0.000 1.070 227 S CB -0.463 62.721 63.200 -0.027 0.000 0.904 227 S HN 0.486 nan 8.310 nan 0.000 0.456 228 L N 0.833 122.056 121.223 -0.001 0.000 2.049 228 L HA 0.125 4.465 4.340 0.000 0.000 0.203 228 L C 3.156 180.029 176.870 0.006 0.000 1.074 228 L CA 0.989 55.833 54.840 0.007 0.000 0.749 228 L CB -1.001 41.067 42.059 0.015 0.000 0.907 228 L HN 0.432 nan 8.230 nan 0.000 0.439 229 A N -0.089 122.738 122.820 0.011 0.000 1.997 229 A HA -0.188 4.132 4.320 0.000 0.000 0.221 229 A C 2.352 179.942 177.584 0.012 0.000 1.172 229 A CA 2.083 54.129 52.037 0.014 0.000 0.645 229 A CB -0.903 18.114 19.000 0.029 0.000 0.813 229 A HN 0.225 nan 8.150 nan 0.000 0.454 230 V N -0.734 119.188 119.914 0.012 0.000 2.283 230 V HA -0.184 3.936 4.120 0.000 0.000 0.243 230 V C 2.770 178.869 176.094 0.008 0.000 1.039 230 V CA 2.210 64.518 62.300 0.013 0.000 1.016 230 V CB -0.747 31.086 31.823 0.016 0.000 0.650 230 V HN 0.574 nan 8.190 nan 0.000 0.449 231 S N -0.457 115.246 115.700 0.005 0.000 2.374 231 S HA -0.220 4.250 4.470 0.000 0.000 0.227 231 S C 2.146 176.747 174.600 0.002 0.000 1.037 231 S CA 1.376 59.578 58.200 0.004 0.000 1.024 231 S CB -0.300 62.903 63.200 0.004 0.000 0.861 231 S HN 0.384 nan 8.310 nan 0.000 0.456 232 R N 0.693 121.192 120.500 -0.002 0.000 2.055 232 R HA 0.114 4.454 4.340 0.000 0.000 0.228 232 R C 2.317 178.615 176.300 -0.003 0.000 1.143 232 R CA 0.832 56.928 56.100 -0.006 0.000 0.945 232 R CB -1.446 28.846 30.300 -0.014 0.000 0.841 232 R HN 0.358 nan 8.270 nan 0.000 0.429 233 L N 1.140 122.363 121.223 -0.000 0.000 2.081 233 L HA -0.198 4.143 4.340 0.000 0.000 0.212 233 L C 2.315 179.188 176.870 0.004 0.000 1.080 233 L CA 1.692 56.532 54.840 0.001 0.000 0.754 233 L CB -0.570 41.490 42.059 0.002 0.000 0.893 233 L HN 0.088 nan 8.230 nan 0.000 0.433 234 S N -0.854 114.849 115.700 0.006 0.000 2.348 234 S HA -0.195 4.275 4.470 0.000 0.000 0.221 234 S C 2.037 176.643 174.600 0.009 0.000 1.033 234 S CA 1.467 59.672 58.200 0.008 0.000 1.010 234 S CB -0.190 63.014 63.200 0.008 0.000 0.891 234 S HN 0.437 nan 8.310 nan 0.000 0.442 235 R N 0.251 120.756 120.500 0.008 0.000 2.152 235 R HA 0.024 4.364 4.340 0.000 0.000 0.232 235 R C 2.113 178.422 176.300 0.015 0.000 1.117 235 R CA 1.118 57.224 56.100 0.010 0.000 0.981 235 R CB -0.324 29.980 30.300 0.007 0.000 0.870 235 R HN 0.435 nan 8.270 nan 0.000 0.451 236 I N 0.126 120.704 120.570 0.013 0.000 2.162 236 I HA -0.196 3.974 4.170 0.000 0.000 0.238 236 I C 1.972 178.106 176.117 0.029 0.000 1.076 236 I CA 1.069 62.382 61.300 0.021 0.000 1.353 236 I CB -0.157 37.851 38.000 0.014 0.000 1.063 236 I HN 0.043 nan 8.210 nan 0.000 0.408 237 V N -1.539 118.387 119.914 0.021 0.000 3.592 237 V HA -0.035 4.085 4.120 0.000 0.000 0.272 237 V C 1.721 177.830 176.094 0.024 0.000 1.228 237 V CA 1.244 63.557 62.300 0.023 0.000 1.173 237 V CB -1.779 30.051 31.823 0.013 0.000 0.873 237 V HN 0.550 nan 8.190 nan 0.000 0.476 238 T N -1.079 113.490 114.554 0.024 0.000 3.246 238 T HA 0.118 4.468 4.350 0.000 0.000 0.231 238 T C 1.105 175.823 174.700 0.030 0.000 0.986 238 T CA 0.737 62.851 62.100 0.023 0.000 1.340 238 T CB -0.949 67.930 68.868 0.018 0.000 1.063 238 T HN 0.710 nan 8.240 nan 0.000 0.427 239 S N 2.689 118.407 115.700 0.031 0.000 2.626 239 S HA 0.493 4.963 4.470 0.000 0.000 0.303 239 S C 0.908 175.539 174.600 0.051 0.000 1.256 239 S CA -0.483 57.739 58.200 0.037 0.000 1.069 239 S CB 0.158 63.379 63.200 0.035 0.000 0.807 239 S HN 0.841 nan 8.310 nan 0.000 0.500 240 A N 3.912 126.762 122.820 0.050 0.000 3.188 240 A HA 0.297 4.617 4.320 0.000 0.000 0.158 240 A C 1.945 179.585 177.584 0.092 0.000 1.832 240 A CA 0.561 52.636 52.037 0.062 0.000 1.046 240 A CB -1.024 18.002 19.000 0.043 0.000 1.770 240 A HN 0.811 nan 8.150 nan 0.000 0.817 241 S N -1.107 114.654 115.700 0.103 0.000 2.470 241 S HA -0.030 4.440 4.470 0.000 0.000 0.222 241 S C 1.987 176.657 174.600 0.117 0.000 1.024 241 S CA 1.212 59.502 58.200 0.151 0.000 0.931 241 S CB -0.349 62.983 63.200 0.221 0.000 0.791 241 S HN 0.893 nan 8.310 nan 0.000 0.513 242 T N 0.769 115.373 114.554 0.083 0.000 2.857 242 T HA -0.019 4.331 4.350 0.000 0.000 0.266 242 T C 0.639 175.375 174.700 0.060 0.000 1.048 242 T CA 0.673 62.812 62.100 0.064 0.000 1.139 242 T CB -0.414 68.482 68.868 0.046 0.000 0.874 242 T HN 0.139 nan 8.240 nan 0.000 0.455 243 D N 1.741 122.177 120.400 0.061 0.000 2.314 243 D HA 0.186 4.826 4.640 0.000 0.000 0.252 243 D C 0.982 177.328 176.300 0.077 0.000 1.295 243 D CA -0.472 53.563 54.000 0.059 0.000 0.995 243 D CB -0.010 40.822 40.800 0.052 0.000 1.125 243 D HN 0.323 nan 8.370 nan 0.000 0.537 244 L N -0.105 121.166 121.223 0.080 0.000 4.173 244 L HA -0.313 4.027 4.340 0.000 0.000 0.475 244 L C 1.630 178.578 176.870 0.130 0.000 1.115 244 L CA 0.180 55.090 54.840 0.116 0.000 0.702 244 L CB -1.461 40.675 42.059 0.128 0.000 1.615 244 L HN 0.393 nan 8.230 nan 0.000 0.803 245 Q N 0.765 120.620 119.800 0.091 0.000 1.935 245 Q HA -0.246 4.094 4.340 0.000 0.000 0.212 245 Q C 1.532 177.563 176.000 0.052 0.000 1.008 245 Q CA 2.513 58.354 55.803 0.065 0.000 0.868 245 Q CB 0.025 28.785 28.738 0.037 0.000 0.946 245 Q HN 0.690 nan 8.270 nan 0.000 0.418 246 D N -0.693 119.716 120.400 0.015 0.000 2.190 246 D HA -0.174 4.466 4.640 0.000 0.000 0.200 246 D C 1.414 177.598 176.300 -0.192 0.000 0.992 246 D CA 1.353 55.284 54.000 -0.115 0.000 0.854 246 D CB -0.252 40.422 40.800 -0.210 0.000 0.936 246 D HN 0.376 nan 8.370 nan 0.000 0.462 247 Y N 0.317 120.651 120.300 0.056 0.000 2.466 247 Y HA 0.116 4.666 4.550 0.000 0.000 0.272 247 Y C 0.739 176.735 175.900 0.161 0.000 1.169 247 Y CA 0.144 58.305 58.100 0.101 0.000 1.285 247 Y CB 0.294 38.797 38.460 0.072 0.000 1.078 247 Y HN -0.268 nan 8.280 nan 0.000 0.523 248 T N 0.914 115.607 114.554 0.232 0.000 2.851 248 T HA 0.041 4.391 4.350 0.000 0.000 0.298 248 T C -1.191 173.665 174.700 0.260 0.000 0.977 248 T CA 0.020 62.257 62.100 0.229 0.000 1.126 248 T CB 0.211 69.181 68.868 0.170 0.000 0.916 248 T HN 0.145 nan 8.240 nan 0.000 0.529 249 Y N 3.764 124.168 120.300 0.173 0.000 2.363 249 Y HA 0.338 4.888 4.550 0.000 0.000 0.325 249 Y C -0.708 175.354 175.900 0.270 0.000 0.984 249 Y CA -1.150 57.080 58.100 0.217 0.000 1.248 249 Y CB 0.270 38.880 38.460 0.249 0.000 1.116 249 Y HN 0.684 nan 8.280 nan 0.000 0.470 250 Y N 6.567 126.619 120.300 -0.414 0.000 3.389 250 Y HA -0.363 4.187 4.550 0.000 0.000 0.213 250 Y C 0.418 176.309 175.900 -0.015 0.000 1.272 250 Y CA 1.213 59.069 58.100 -0.406 0.000 1.444 250 Y CB -2.657 35.585 38.460 -0.365 0.000 1.445 250 Y HN 0.920 nan 8.280 nan 0.000 0.583 251 F N -4.331 115.753 119.950 0.223 0.000 2.746 251 F HA -0.271 4.257 4.527 0.000 0.000 0.315 251 F C 0.128 176.071 175.800 0.239 0.000 0.666 251 F CA 0.325 58.447 58.000 0.203 0.000 1.381 251 F CB -1.466 37.628 39.000 0.156 0.000 1.739 251 F HN -0.096 nan 8.300 nan 0.000 0.322 252 V N 1.660 121.786 119.914 0.355 0.000 2.357 252 V HA 0.370 4.491 4.120 0.000 0.000 0.284 252 V C -1.921 174.283 176.094 0.183 0.000 1.018 252 V CA -1.659 60.766 62.300 0.209 0.000 0.841 252 V CB 1.553 33.434 31.823 0.097 0.000 0.991 252 V HN -0.176 nan 8.190 nan 0.000 0.437 253 P HA 0.217 nan 4.420 nan 0.000 0.282 253 P C 0.270 177.644 177.300 0.123 0.000 1.274 253 P CA 0.349 63.537 63.100 0.147 0.000 0.770 253 P CB 1.173 32.942 31.700 0.115 0.000 0.867 254 A N 5.232 128.169 122.820 0.195 0.000 2.364 254 A HA -0.164 4.156 4.320 0.000 0.000 0.288 254 A C -1.281 176.356 177.584 0.089 0.000 1.433 254 A CA 0.153 52.313 52.037 0.205 0.000 0.757 254 A CB -2.207 16.867 19.000 0.123 0.000 1.098 254 A HN 0.413 nan 8.150 nan 0.000 0.380 255 P HA -0.187 nan 4.420 nan 0.000 0.215 255 P C 1.647 178.790 177.300 -0.263 0.000 1.157 255 P CA 1.637 64.566 63.100 -0.285 0.000 0.874 255 P CB -0.099 31.167 31.700 -0.723 0.000 0.790 256 W N -0.749 120.529 121.300 -0.037 0.000 2.355 256 W HA -0.082 4.579 4.660 0.000 0.000 0.309 256 W C 2.139 178.639 176.519 -0.030 0.000 1.206 256 W CA 0.505 57.823 57.345 -0.044 0.000 1.284 256 W CB -1.393 28.035 29.460 -0.053 0.000 1.145 256 W HN -0.048 nan 8.180 nan 0.000 0.502 257 L N 1.067 122.405 121.223 0.192 0.000 2.083 257 L HA -0.186 4.154 4.340 0.000 0.000 0.209 257 L C 2.402 179.289 176.870 0.028 0.000 1.083 257 L CA 2.107 56.990 54.840 0.072 0.000 0.752 257 L CB -1.048 41.017 42.059 0.010 0.000 0.899 257 L HN -0.278 nan 8.230 nan 0.000 0.433 258 S N -0.822 114.886 115.700 0.012 0.000 2.359 258 S HA -0.208 4.262 4.470 0.000 0.000 0.222 258 S C 1.931 176.520 174.600 -0.018 0.000 1.038 258 S CA 1.712 59.905 58.200 -0.012 0.000 1.051 258 S CB -0.626 62.554 63.200 -0.032 0.000 0.944 258 S HN 0.368 nan 8.310 nan 0.000 0.433 259 V N 1.886 121.780 119.914 -0.033 0.000 2.469 259 V HA -0.198 3.922 4.120 0.000 0.000 0.251 259 V C 2.281 178.372 176.094 -0.004 0.000 1.064 259 V CA 1.628 63.911 62.300 -0.029 0.000 1.066 259 V CB -0.546 31.244 31.823 -0.056 0.000 0.667 259 V HN 0.410 nan 8.190 nan 0.000 0.461 260 K N -0.503 119.907 120.400 0.017 0.000 2.062 260 K HA -0.009 4.312 4.320 0.000 0.000 0.205 260 K C 2.110 178.708 176.600 -0.003 0.000 1.051 260 K CA 1.055 57.350 56.287 0.013 0.000 0.941 260 K CB -0.183 32.334 32.500 0.029 0.000 0.719 260 K HN 0.360 nan 8.250 nan 0.000 0.440 261 L N 0.879 122.101 121.223 -0.002 0.000 2.093 261 L HA -0.176 4.164 4.340 0.000 0.000 0.208 261 L C 2.257 179.122 176.870 -0.009 0.000 1.085 261 L CA 1.032 55.870 54.840 -0.002 0.000 0.755 261 L CB -0.318 41.740 42.059 -0.002 0.000 0.904 261 L HN 0.192 nan 8.230 nan 0.000 0.435 262 L N -0.821 120.390 121.223 -0.020 0.000 2.109 262 L HA -0.159 4.181 4.340 0.000 0.000 0.207 262 L C 2.727 179.559 176.870 -0.063 0.000 1.086 262 L CA 0.676 55.493 54.840 -0.039 0.000 0.760 262 L CB -0.330 41.707 42.059 -0.037 0.000 0.910 262 L HN 0.159 nan 8.230 nan 0.000 0.437 263 R N 0.471 120.941 120.500 -0.050 0.000 2.081 263 R HA -0.182 4.159 4.340 0.000 0.000 0.235 263 R C 2.125 178.380 176.300 -0.074 0.000 1.131 263 R CA 1.381 57.442 56.100 -0.066 0.000 0.960 263 R CB -0.582 29.694 30.300 -0.041 0.000 0.856 263 R HN 0.191 nan 8.270 nan 0.000 0.436 264 L N 0.143 121.344 121.223 -0.037 0.000 2.083 264 L HA -0.044 4.296 4.340 0.000 0.000 0.209 264 L C 1.721 178.620 176.870 0.049 0.000 1.083 264 L CA 1.679 56.517 54.840 -0.003 0.000 0.752 264 L CB -0.296 41.780 42.059 0.029 0.000 0.899 264 L HN 0.276 nan 8.230 nan 0.000 0.433 265 L N -1.003 120.236 121.223 0.026 0.000 2.362 265 L HA -0.162 4.178 4.340 0.000 0.000 0.219 265 L C 2.337 179.200 176.870 -0.013 0.000 1.134 265 L CA 0.794 55.675 54.840 0.068 0.000 0.807 265 L CB -0.391 41.684 42.059 0.027 0.000 0.927 265 L HN 0.440 nan 8.230 nan 0.000 0.447 266 Q N -1.415 118.270 119.800 -0.192 0.000 2.435 266 Q HA -0.091 4.250 4.340 0.000 0.000 0.207 266 Q C 2.074 177.852 176.000 -0.369 0.000 0.956 266 Q CA 0.607 56.107 55.803 -0.505 0.000 0.917 266 Q CB 0.049 28.457 28.738 -0.551 0.000 0.997 266 Q HN 0.546 nan 8.270 nan 0.000 0.497 267 C N 0.059 119.248 119.300 -0.184 0.000 2.539 267 C HA 0.093 4.553 4.460 0.000 0.000 0.271 267 C C 0.399 175.155 174.990 -0.389 0.000 1.412 267 C CA 0.022 58.871 59.018 -0.281 0.000 1.729 267 C CB -1.198 26.309 27.740 -0.389 0.000 1.739 267 C HN 0.315 nan 8.230 nan 0.000 0.570 268 Y N -0.544 119.805 120.300 0.081 0.000 2.638 268 Y HA 0.483 5.034 4.550 0.000 0.000 0.339 268 Y C -2.408 173.642 175.900 0.250 0.000 1.084 268 Y CA -2.361 55.823 58.100 0.140 0.000 1.068 268 Y CB 0.970 39.494 38.460 0.107 0.000 1.294 268 Y HN -0.191 nan 8.280 nan 0.000 0.480 269 P HA 0.289 nan 4.420 nan 0.000 0.279 269 P C -2.750 174.551 177.300 0.002 0.000 1.276 269 P CA -1.799 61.421 63.100 0.200 0.000 0.801 269 P CB 0.116 31.880 31.700 0.106 0.000 1.127 270 P HA 0.084 nan 4.420 nan 0.000 0.265 270 P C -2.283 174.917 177.300 -0.166 0.000 1.187 270 P CA -0.482 62.257 63.100 -0.601 0.000 0.766 270 P CB -1.361 30.013 31.700 -0.544 0.000 0.820 271 P HA -0.125 nan 4.420 nan 0.000 0.259 271 P C 1.077 178.345 177.300 -0.054 0.000 1.163 271 P CA 0.625 63.702 63.100 -0.039 0.000 0.760 271 P CB 0.279 31.969 31.700 -0.017 0.000 0.762 272 E N 2.100 122.271 120.200 -0.048 0.000 2.110 272 E HA -0.180 4.170 4.350 0.000 0.000 0.193 272 E C 0.470 177.048 176.600 -0.038 0.000 0.988 272 E CA 1.182 57.557 56.400 -0.041 0.000 0.804 272 E CB -0.614 29.065 29.700 -0.035 0.000 0.745 272 E HN 0.424 nan 8.360 nan 0.000 0.458 273 D N 1.779 122.157 120.400 -0.036 0.000 2.295 273 D HA 0.102 4.742 4.640 0.000 0.000 0.248 273 D C -1.797 174.487 176.300 -0.027 0.000 1.154 273 D CA -2.701 51.282 54.000 -0.029 0.000 0.857 273 D CB 1.618 42.402 40.800 -0.027 0.000 1.117 273 D HN -0.309 nan 8.370 nan 0.000 0.468 274 P HA -0.280 nan 4.420 nan 0.000 0.218 274 P C 0.999 178.288 177.300 -0.017 0.000 1.165 274 P CA 2.628 65.714 63.100 -0.023 0.000 0.922 274 P CB 0.070 31.758 31.700 -0.020 0.000 0.794 275 A N -1.042 121.770 122.820 -0.014 0.000 1.883 275 A HA -0.206 4.114 4.320 0.000 0.000 0.217 275 A C 2.396 179.975 177.584 -0.008 0.000 1.186 275 A CA 2.346 54.377 52.037 -0.010 0.000 0.624 275 A CB -1.719 17.276 19.000 -0.008 0.000 0.822 275 A HN 0.071 nan 8.150 nan 0.000 0.444 276 V N -0.185 119.722 119.914 -0.010 0.000 2.295 276 V HA -0.248 3.872 4.120 0.000 0.000 0.246 276 V C 2.631 178.724 176.094 -0.002 0.000 1.049 276 V CA 2.234 64.530 62.300 -0.007 0.000 1.024 276 V CB -0.803 31.012 31.823 -0.014 0.000 0.648 276 V HN 0.605 nan 8.190 nan 0.000 0.447 277 R N -0.002 120.492 120.500 -0.010 0.000 2.127 277 R HA -0.149 4.191 4.340 0.000 0.000 0.238 277 R C 2.297 178.597 176.300 -0.000 0.000 1.134 277 R CA 1.566 57.661 56.100 -0.009 0.000 0.975 277 R CB -0.633 29.648 30.300 -0.032 0.000 0.865 277 R HN 0.594 nan 8.270 nan 0.000 0.447 278 G N 0.231 109.028 108.800 -0.004 0.000 2.464 278 G HA2 -0.292 3.668 3.960 0.000 0.000 0.214 278 G HA3 -0.292 3.668 3.960 0.000 0.000 0.214 278 G C 1.430 176.333 174.900 0.005 0.000 1.218 278 G CA 0.631 45.730 45.100 -0.001 0.000 0.794 278 G HN 0.279 nan 8.290 nan 0.000 0.542 279 R N -0.218 120.285 120.500 0.005 0.000 2.091 279 R HA -0.072 4.268 4.340 0.000 0.000 0.238 279 R C 2.593 178.901 176.300 0.014 0.000 1.136 279 R CA 1.594 57.699 56.100 0.008 0.000 0.959 279 R CB -0.445 29.859 30.300 0.006 0.000 0.856 279 R HN 0.376 nan 8.270 nan 0.000 0.437 280 L N 0.074 121.310 121.223 0.021 0.000 2.079 280 L HA -0.147 4.193 4.340 0.000 0.000 0.210 280 L C 1.899 178.790 176.870 0.035 0.000 1.081 280 L CA 2.086 56.947 54.840 0.034 0.000 0.752 280 L CB -0.517 41.578 42.059 0.060 0.000 0.896 280 L HN 0.074 nan 8.230 nan 0.000 0.433 281 T N -0.818 113.755 114.554 0.031 0.000 2.978 281 T HA -0.064 4.286 4.350 0.000 0.000 0.262 281 T C 1.647 176.356 174.700 0.016 0.000 1.063 281 T CA 1.187 63.304 62.100 0.028 0.000 1.140 281 T CB -0.079 68.803 68.868 0.024 0.000 0.886 281 T HN 0.469 nan 8.240 nan 0.000 0.470 282 E N 0.184 120.391 120.200 0.011 0.000 2.106 282 E HA -0.120 4.230 4.350 0.000 0.000 0.192 282 E C 2.418 179.022 176.600 0.007 0.000 0.984 282 E CA 0.942 57.346 56.400 0.007 0.000 0.806 282 E CB -0.214 29.489 29.700 0.006 0.000 0.750 282 E HN 0.464 nan 8.360 nan 0.000 0.458 283 C N 0.516 119.822 119.300 0.009 0.000 2.440 283 C HA -0.063 4.397 4.460 0.000 0.000 0.278 283 C C 2.438 177.430 174.990 0.003 0.000 1.295 283 C CA 0.525 59.547 59.018 0.007 0.000 1.738 283 C CB -0.859 26.887 27.740 0.009 0.000 1.987 283 C HN 0.327 nan 8.230 nan 0.000 0.492 284 L N 0.629 121.855 121.223 0.005 0.000 2.109 284 L HA -0.040 4.300 4.340 0.000 0.000 0.207 284 L C 2.861 179.726 176.870 -0.008 0.000 1.086 284 L CA 1.370 56.208 54.840 -0.002 0.000 0.760 284 L CB -0.798 41.264 42.059 0.004 0.000 0.910 284 L HN 0.312 nan 8.230 nan 0.000 0.437 285 E N -0.130 120.069 120.200 -0.002 0.000 2.070 285 E HA -0.235 4.115 4.350 0.000 0.000 0.197 285 E C 2.166 178.760 176.600 -0.009 0.000 1.004 285 E CA 2.058 58.455 56.400 -0.006 0.000 0.805 285 E CB -0.233 29.466 29.700 -0.001 0.000 0.744 285 E HN 0.438 nan 8.360 nan 0.000 0.451 286 T N 1.450 116.001 114.554 -0.005 0.000 2.668 286 T HA -0.078 4.272 4.350 0.000 0.000 0.262 286 T C 2.097 176.792 174.700 -0.008 0.000 1.045 286 T CA 0.868 62.966 62.100 -0.004 0.000 1.152 286 T CB -0.269 68.600 68.868 0.001 0.000 0.864 286 T HN 0.117 nan 8.240 nan 0.000 0.419 287 I N 0.992 121.556 120.570 -0.010 0.000 2.121 287 I HA -0.283 3.887 4.170 0.000 0.000 0.243 287 I C 2.265 178.365 176.117 -0.028 0.000 1.047 287 I CA 1.647 62.937 61.300 -0.017 0.000 1.308 287 I CB -0.459 37.528 38.000 -0.022 0.000 1.015 287 I HN 0.260 nan 8.210 nan 0.000 0.410 288 L N 0.013 121.213 121.223 -0.038 0.000 2.141 288 L HA -0.198 4.143 4.340 0.000 0.000 0.209 288 L C 2.238 179.083 176.870 -0.042 0.000 1.094 288 L CA 0.956 55.763 54.840 -0.056 0.000 0.763 288 L CB -0.668 41.354 42.059 -0.062 0.000 0.908 288 L HN 0.317 nan 8.230 nan 0.000 0.437 289 N N 0.326 119.011 118.700 -0.024 0.000 2.058 289 N HA -0.161 4.579 4.740 0.000 0.000 0.191 289 N C 1.740 177.245 175.510 -0.008 0.000 1.037 289 N CA 1.160 54.202 53.050 -0.015 0.000 0.848 289 N CB -0.151 38.332 38.487 -0.008 0.000 1.021 289 N HN 0.182 nan 8.380 nan 0.000 0.422 290 K N 0.875 121.274 120.400 -0.001 0.000 2.152 290 K HA -0.004 4.316 4.320 0.000 0.000 0.206 290 K C 1.838 178.448 176.600 0.017 0.000 1.048 290 K CA 0.891 57.186 56.287 0.013 0.000 0.933 290 K CB -0.306 32.206 32.500 0.020 0.000 0.721 290 K HN 0.181 nan 8.250 nan 0.000 0.447 291 A N 1.324 124.143 122.820 -0.001 0.000 1.969 291 A HA -0.165 4.155 4.320 0.000 0.000 0.218 291 A C 1.987 179.572 177.584 0.001 0.000 1.169 291 A CA 1.187 53.224 52.037 0.001 0.000 0.635 291 A CB -0.238 18.741 19.000 -0.036 0.000 0.810 291 A HN 0.340 nan 8.150 nan 0.000 0.445 292 Q N -0.312 119.481 119.800 -0.012 0.000 2.424 292 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 292 Q C -0.152 175.853 176.000 0.009 0.000 0.933 292 Q CA -0.022 55.775 55.803 -0.010 0.000 0.929 292 Q CB 0.247 28.972 28.738 -0.021 0.000 1.037 292 Q HN 0.723 nan 8.270 nan 0.000 0.511 293 E N 2.190 122.399 120.200 0.016 0.000 2.390 293 E HA 0.081 4.432 4.350 0.000 0.000 0.261 293 E C -2.303 174.315 176.600 0.030 0.000 1.076 293 E CA -1.882 54.530 56.400 0.019 0.000 0.905 293 E CB 0.330 30.040 29.700 0.016 0.000 0.984 293 E HN 0.040 nan 8.360 nan 0.000 0.427 294 P HA 0.001 nan 4.420 nan 0.000 0.258 294 P C -2.444 174.865 177.300 0.015 0.000 1.172 294 P CA -0.749 62.362 63.100 0.019 0.000 0.762 294 P CB -0.498 31.202 31.700 -0.000 0.000 0.764 295 P HA 0.051 nan 4.420 nan 0.000 0.264 295 P C 0.996 178.225 177.300 -0.119 0.000 1.183 295 P CA 0.213 63.338 63.100 0.042 0.000 0.763 295 P CB 0.490 32.237 31.700 0.079 0.000 0.807 296 K N 0.358 120.610 120.400 -0.246 0.000 2.439 296 K HA 0.053 4.373 4.320 0.000 0.000 0.197 296 K C 0.845 177.168 176.600 -0.462 0.000 1.041 296 K CA 0.676 56.720 56.287 -0.405 0.000 0.970 296 K CB 0.168 32.394 32.500 -0.457 0.000 0.773 296 K HN 0.507 nan 8.250 nan 0.000 0.479 297 S N -0.915 114.490 115.700 -0.493 0.000 2.615 297 S HA 0.309 4.779 4.470 0.000 0.000 0.269 297 S C -0.717 173.801 174.600 -0.137 0.000 1.161 297 S CA -0.863 57.199 58.200 -0.231 0.000 0.817 297 S CB 1.488 64.660 63.200 -0.047 0.000 1.131 297 S HN 0.018 nan 8.310 nan 0.000 0.467 298 K N 0.358 120.755 120.400 -0.006 0.000 2.412 298 K HA 0.269 4.589 4.320 0.000 0.000 0.202 298 K C -0.419 176.245 176.600 0.107 0.000 1.102 298 K CA -0.152 56.172 56.287 0.062 0.000 1.027 298 K CB 0.208 32.734 32.500 0.043 0.000 0.931 298 K HN 0.398 nan 8.250 nan 0.000 0.557 299 K N 1.630 122.097 120.400 0.112 0.000 2.511 299 K HA -0.076 4.245 4.320 0.000 0.000 0.280 299 K C 1.128 177.851 176.600 0.205 0.000 1.008 299 K CA -0.052 56.325 56.287 0.151 0.000 1.050 299 K CB 0.897 33.496 32.500 0.165 0.000 0.889 299 K HN -0.118 nan 8.250 nan 0.000 0.484 300 V N 3.150 123.160 119.914 0.160 0.000 2.660 300 V HA -0.326 3.794 4.120 0.000 0.000 0.257 300 V C 1.467 177.655 176.094 0.158 0.000 1.088 300 V CA 1.813 64.195 62.300 0.137 0.000 1.106 300 V CB -0.210 31.669 31.823 0.093 0.000 0.686 300 V HN 0.747 nan 8.190 nan 0.000 0.481 301 Q N 0.101 120.030 119.800 0.215 0.000 1.965 301 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 301 Q C 2.092 178.255 176.000 0.270 0.000 0.981 301 Q CA 2.472 58.396 55.803 0.201 0.000 0.834 301 Q CB -0.762 27.977 28.738 0.003 0.000 0.900 301 Q HN 0.965 nan 8.270 nan 0.000 0.426 302 H N -0.259 118.977 119.070 0.276 0.000 2.267 302 H HA -0.197 4.359 4.556 0.000 0.000 0.291 302 H C 2.194 177.614 175.328 0.154 0.000 1.094 302 H CA 2.325 58.521 56.048 0.247 0.000 1.227 302 H CB -0.536 29.381 29.762 0.257 0.000 1.351 302 H HN 0.225 nan 8.280 nan 0.000 0.483 303 S N -0.467 115.314 115.700 0.135 0.000 2.372 303 S HA -0.249 4.221 4.470 0.000 0.000 0.227 303 S C 2.076 176.638 174.600 -0.063 0.000 1.044 303 S CA 1.816 60.023 58.200 0.013 0.000 1.050 303 S CB -0.395 62.867 63.200 0.103 0.000 0.901 303 S HN 0.607 nan 8.310 nan 0.000 0.447 304 N N 1.492 120.182 118.700 -0.017 0.000 2.142 304 N HA 0.036 4.776 4.740 0.000 0.000 0.186 304 N C 1.897 177.337 175.510 -0.118 0.000 1.023 304 N CA 1.350 54.369 53.050 -0.052 0.000 0.852 304 N CB -0.959 37.516 38.487 -0.020 0.000 0.998 304 N HN 0.514 nan 8.380 nan 0.000 0.424 305 A N 1.287 124.023 122.820 -0.139 0.000 1.858 305 A HA -0.162 4.158 4.320 0.000 0.000 0.216 305 A C 2.178 179.615 177.584 -0.245 0.000 1.190 305 A CA 1.548 53.410 52.037 -0.292 0.000 0.617 305 A CB -0.558 18.306 19.000 -0.226 0.000 0.827 305 A HN 0.264 nan 8.150 nan 0.000 0.443 306 K N -0.545 119.721 120.400 -0.223 0.000 2.044 306 K HA -0.219 4.101 4.320 0.000 0.000 0.210 306 K C 1.539 178.082 176.600 -0.096 0.000 1.049 306 K CA 1.872 58.044 56.287 -0.191 0.000 0.927 306 K CB -0.199 32.120 32.500 -0.303 0.000 0.713 306 K HN 0.449 nan 8.250 nan 0.000 0.443 307 N N 0.275 118.935 118.700 -0.066 0.000 2.409 307 N HA -0.050 4.690 4.740 0.000 0.000 0.179 307 N C 1.400 177.007 175.510 0.160 0.000 1.032 307 N CA 0.947 54.031 53.050 0.056 0.000 0.898 307 N CB -0.195 38.296 38.487 0.006 0.000 0.971 307 N HN 0.257 nan 8.380 nan 0.000 0.441 308 A N 0.613 123.436 122.820 0.005 0.000 1.858 308 A HA -0.093 4.227 4.320 0.000 0.000 0.216 308 A C 2.403 179.984 177.584 -0.004 0.000 1.190 308 A CA 1.371 53.392 52.037 -0.026 0.000 0.617 308 A CB -0.874 18.001 19.000 -0.207 0.000 0.827 308 A HN 0.091 nan 8.150 nan 0.000 0.443 309 V N -0.406 119.464 119.914 -0.073 0.000 2.343 309 V HA -0.207 3.913 4.120 0.000 0.000 0.247 309 V C 2.491 178.583 176.094 -0.003 0.000 1.051 309 V CA 1.893 64.161 62.300 -0.053 0.000 1.036 309 V CB -0.662 31.110 31.823 -0.085 0.000 0.654 309 V HN 0.559 nan 8.190 nan 0.000 0.451 310 L N -0.597 120.631 121.223 0.008 0.000 2.012 310 L HA -0.146 4.195 4.340 0.000 0.000 0.210 310 L C 2.130 178.983 176.870 -0.029 0.000 1.073 310 L CA 2.075 56.902 54.840 -0.021 0.000 0.748 310 L CB -0.823 41.229 42.059 -0.011 0.000 0.891 310 L HN 0.274 nan 8.230 nan 0.000 0.431 311 F N -0.347 119.633 119.950 0.049 0.000 2.171 311 F HA -0.205 4.322 4.527 0.000 0.000 0.300 311 F C 2.554 178.362 175.800 0.012 0.000 1.090 311 F CA 1.498 59.532 58.000 0.055 0.000 1.293 311 F CB -0.110 38.926 39.000 0.061 0.000 1.013 311 F HN 0.169 nan 8.300 nan 0.000 0.486 312 E N 0.278 120.574 120.200 0.161 0.000 2.072 312 E HA -0.116 4.234 4.350 0.000 0.000 0.190 312 E C 2.188 178.801 176.600 0.021 0.000 0.982 312 E CA 1.164 57.607 56.400 0.071 0.000 0.803 312 E CB -0.342 29.373 29.700 0.026 0.000 0.755 312 E HN 0.234 nan 8.360 nan 0.000 0.453 313 A N 0.470 123.292 122.820 0.003 0.000 1.972 313 A HA -0.149 4.171 4.320 0.000 0.000 0.219 313 A C 2.286 179.855 177.584 -0.024 0.000 1.169 313 A CA 1.268 53.291 52.037 -0.023 0.000 0.635 313 A CB -0.638 18.344 19.000 -0.029 0.000 0.810 313 A HN 0.353 nan 8.150 nan 0.000 0.446 314 I N -1.045 119.514 120.570 -0.019 0.000 2.315 314 I HA -0.181 3.989 4.170 0.000 0.000 0.248 314 I C 2.789 178.920 176.117 0.024 0.000 1.117 314 I CA 1.415 62.703 61.300 -0.020 0.000 1.404 314 I CB -0.134 37.828 38.000 -0.065 0.000 1.071 314 I HN 0.395 nan 8.210 nan 0.000 0.419 315 S N 0.786 116.518 115.700 0.052 0.000 2.383 315 S HA -0.168 4.302 4.470 0.000 0.000 0.227 315 S C 1.970 176.586 174.600 0.026 0.000 1.026 315 S CA 1.136 59.372 58.200 0.061 0.000 0.981 315 S CB -0.234 63.008 63.200 0.070 0.000 0.818 315 S HN 0.340 nan 8.310 nan 0.000 0.472 316 L N 1.732 122.929 121.223 -0.044 0.000 2.046 316 L HA 0.034 4.374 4.340 0.000 0.000 0.208 316 L C 1.974 178.775 176.870 -0.115 0.000 1.077 316 L CA 1.647 56.394 54.840 -0.155 0.000 0.747 316 L CB -0.521 41.415 42.059 -0.204 0.000 0.896 316 L HN 0.374 nan 8.230 nan 0.000 0.432 317 I N -0.621 119.932 120.570 -0.028 0.000 2.142 317 I HA -0.346 3.824 4.170 0.000 0.000 0.240 317 I C 2.469 178.634 176.117 0.079 0.000 1.078 317 I CA 1.889 63.209 61.300 0.034 0.000 1.343 317 I CB -0.434 37.577 38.000 0.020 0.000 1.046 317 I HN 0.243 nan 8.210 nan 0.000 0.405 318 I N 0.123 120.735 120.570 0.070 0.000 2.264 318 I HA -0.356 3.814 4.170 0.000 0.000 0.248 318 I C 2.641 178.827 176.117 0.114 0.000 1.111 318 I CA 1.653 63.003 61.300 0.083 0.000 1.382 318 I CB -0.590 37.454 38.000 0.072 0.000 1.060 318 I HN 0.343 nan 8.210 nan 0.000 0.418 319 H N 0.124 119.206 119.070 0.021 0.000 2.299 319 H HA -0.173 4.383 4.556 0.000 0.000 0.302 319 H C 2.362 177.765 175.328 0.124 0.000 1.078 319 H CA 2.125 58.195 56.048 0.035 0.000 1.323 319 H CB -0.125 29.620 29.762 -0.029 0.000 1.381 319 H HN 0.350 nan 8.280 nan 0.000 0.498 320 H N -0.900 118.315 119.070 0.242 0.000 2.321 320 H HA -0.115 4.441 4.556 0.000 0.000 0.300 320 H C 0.386 175.753 175.328 0.065 0.000 1.087 320 H CA 0.632 56.769 56.048 0.149 0.000 1.319 320 H CB 0.137 29.977 29.762 0.129 0.000 1.379 320 H HN 0.438 nan 8.280 nan 0.000 0.501 321 D N 0.069 120.593 120.400 0.206 0.000 2.848 321 D HA -0.133 4.507 4.640 0.000 0.000 0.245 321 D C -1.198 175.170 176.300 0.112 0.000 1.122 321 D CA 0.740 54.838 54.000 0.162 0.000 0.769 321 D CB -0.811 40.089 40.800 0.168 0.000 1.025 321 D HN 0.290 nan 8.370 nan 0.000 0.423 322 S N 0.565 116.292 115.700 0.045 0.000 2.625 322 S HA 0.648 5.118 4.470 0.000 0.000 0.271 322 S C -0.949 173.613 174.600 -0.063 0.000 1.161 322 S CA -0.937 57.200 58.200 -0.104 0.000 0.820 322 S CB 1.635 64.763 63.200 -0.119 0.000 1.137 322 S HN 0.212 nan 8.310 nan 0.000 0.470 323 E N 0.556 120.685 120.200 -0.118 0.000 3.487 323 E HA -0.147 4.204 4.350 0.000 0.000 0.335 323 E C -2.475 174.118 176.600 -0.012 0.000 1.700 323 E CA 0.308 56.675 56.400 -0.056 0.000 1.219 323 E CB -1.014 28.674 29.700 -0.020 0.000 0.671 323 E HN 0.312 nan 8.360 nan 0.000 0.348 324 P HA -0.221 nan 4.420 nan 0.000 0.215 324 P C 1.155 178.498 177.300 0.071 0.000 1.153 324 P CA 1.649 64.764 63.100 0.026 0.000 0.853 324 P CB 0.133 31.860 31.700 0.046 0.000 0.788 325 N N -0.210 118.536 118.700 0.076 0.000 2.037 325 N HA -0.192 4.548 4.740 0.000 0.000 0.196 325 N C 1.653 177.187 175.510 0.039 0.000 1.034 325 N CA 1.533 54.622 53.050 0.064 0.000 0.861 325 N CB -0.986 37.527 38.487 0.043 0.000 1.039 325 N HN 0.007 nan 8.380 nan 0.000 0.427 326 L N -0.106 121.134 121.223 0.027 0.000 2.083 326 L HA -0.145 4.196 4.340 0.000 0.000 0.209 326 L C 2.342 179.221 176.870 0.015 0.000 1.083 326 L CA 0.822 55.671 54.840 0.016 0.000 0.752 326 L CB -0.474 41.596 42.059 0.019 0.000 0.899 326 L HN 0.331 nan 8.230 nan 0.000 0.433 327 L N -1.095 120.146 121.223 0.030 0.000 2.083 327 L HA -0.198 4.142 4.340 0.000 0.000 0.209 327 L C 2.435 179.322 176.870 0.029 0.000 1.083 327 L CA 0.812 55.670 54.840 0.030 0.000 0.752 327 L CB -0.300 41.784 42.059 0.041 0.000 0.899 327 L HN 0.066 nan 8.230 nan 0.000 0.433 328 V N -0.546 119.398 119.914 0.050 0.000 2.283 328 V HA -0.183 3.937 4.120 0.000 0.000 0.243 328 V C 2.611 178.721 176.094 0.027 0.000 1.039 328 V CA 1.354 63.693 62.300 0.066 0.000 1.016 328 V CB -0.519 31.368 31.823 0.107 0.000 0.650 328 V HN 0.403 nan 8.190 nan 0.000 0.449 329 R N 0.652 121.155 120.500 0.006 0.000 2.103 329 R HA -0.185 4.155 4.340 0.000 0.000 0.242 329 R C 2.368 178.619 176.300 -0.080 0.000 1.142 329 R CA 1.694 57.775 56.100 -0.032 0.000 0.960 329 R CB -1.093 29.188 30.300 -0.033 0.000 0.858 329 R HN 0.535 nan 8.270 nan 0.000 0.439 330 A N 0.740 123.514 122.820 -0.077 0.000 1.902 330 A HA -0.196 4.124 4.320 0.000 0.000 0.217 330 A C 2.544 180.033 177.584 -0.158 0.000 1.181 330 A CA 1.573 53.532 52.037 -0.130 0.000 0.623 330 A CB -1.019 17.929 19.000 -0.087 0.000 0.818 330 A HN 0.489 nan 8.150 nan 0.000 0.443 331 C N -0.176 119.072 119.300 -0.086 0.000 2.432 331 C HA -0.044 4.417 4.460 0.000 0.000 0.280 331 C C 2.486 177.373 174.990 -0.170 0.000 1.353 331 C CA 1.245 60.205 59.018 -0.096 0.000 1.766 331 C CB -1.527 26.225 27.740 0.021 0.000 1.924 331 C HN 0.617 nan 8.230 nan 0.000 0.509 332 N N 0.265 118.913 118.700 -0.087 0.000 2.300 332 N HA -0.070 4.670 4.740 0.000 0.000 0.179 332 N C 1.749 177.132 175.510 -0.212 0.000 1.016 332 N CA 0.843 53.854 53.050 -0.064 0.000 0.876 332 N CB -0.459 38.031 38.487 0.005 0.000 0.979 332 N HN 0.604 nan 8.380 nan 0.000 0.432 333 Q N 0.836 120.447 119.800 -0.315 0.000 2.062 333 Q HA 0.158 4.498 4.340 0.000 0.000 0.196 333 Q C 2.012 177.517 176.000 -0.825 0.000 0.967 333 Q CA 0.838 56.315 55.803 -0.543 0.000 0.832 333 Q CB -0.204 28.199 28.738 -0.559 0.000 0.899 333 Q HN 0.270 nan 8.270 nan 0.000 0.442 334 L N -0.443 120.400 121.223 -0.633 0.000 2.079 334 L HA -0.142 4.199 4.340 0.000 0.000 0.210 334 L C 2.200 178.855 176.870 -0.359 0.000 1.081 334 L CA 1.166 55.720 54.840 -0.476 0.000 0.752 334 L CB -0.936 40.969 42.059 -0.258 0.000 0.896 334 L HN 0.449 nan 8.230 nan 0.000 0.433 335 G N -0.770 107.754 108.800 -0.460 0.000 2.459 335 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 335 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 335 G C 1.469 176.277 174.900 -0.153 0.000 1.183 335 G CA 0.406 45.230 45.100 -0.460 0.000 0.776 335 G HN 0.392 nan 8.290 nan 0.000 0.552 336 Q N -0.508 119.195 119.800 -0.161 0.000 2.170 336 Q HA -0.005 4.336 4.340 0.000 0.000 0.203 336 Q C 2.366 178.447 176.000 0.134 0.000 0.976 336 Q CA 0.785 56.573 55.803 -0.025 0.000 0.858 336 Q CB -0.260 28.416 28.738 -0.104 0.000 0.907 336 Q HN 0.662 nan 8.270 nan 0.000 0.433 337 F N 0.563 120.486 119.950 -0.045 0.000 2.134 337 F HA -0.224 4.303 4.527 0.000 0.000 0.299 337 F C 2.137 177.981 175.800 0.073 0.000 1.097 337 F CA 0.342 58.347 58.000 0.009 0.000 1.264 337 F CB -0.078 38.941 39.000 0.031 0.000 1.001 337 F HN 0.073 nan 8.300 nan 0.000 0.479 338 L N -0.211 121.151 121.223 0.232 0.000 2.046 338 L HA -0.261 4.079 4.340 0.000 0.000 0.208 338 L C 2.379 179.338 176.870 0.150 0.000 1.077 338 L CA 1.386 56.317 54.840 0.152 0.000 0.747 338 L CB -0.756 41.350 42.059 0.079 0.000 0.896 338 L HN 0.205 nan 8.230 nan 0.000 0.432 339 Q N -1.268 118.632 119.800 0.167 0.000 2.079 339 Q HA -0.064 4.276 4.340 0.000 0.000 0.200 339 Q C 0.614 176.722 176.000 0.181 0.000 0.974 339 Q CA 0.659 56.556 55.803 0.157 0.000 0.840 339 Q CB -0.039 28.795 28.738 0.159 0.000 0.898 339 Q HN 0.473 nan 8.270 nan 0.000 0.430 340 H N 2.084 121.217 119.070 0.105 0.000 3.145 340 H HA 0.006 4.562 4.556 0.000 0.000 0.288 340 H C -0.248 175.122 175.328 0.070 0.000 0.969 340 H CA -0.532 55.571 56.048 0.091 0.000 1.444 340 H CB 0.377 30.206 29.762 0.113 0.000 1.500 340 H HN 0.131 nan 8.280 nan 0.000 0.552 341 R N 3.379 123.910 120.500 0.051 0.000 2.485 341 R HA 0.003 4.343 4.340 0.000 0.000 0.304 341 R C 0.284 176.625 176.300 0.069 0.000 0.934 341 R CA 0.345 56.471 56.100 0.043 0.000 1.102 341 R CB 0.001 30.301 30.300 0.001 0.000 0.906 341 R HN 0.704 nan 8.270 nan 0.000 0.407 342 E N 0.423 120.663 120.200 0.067 0.000 1.729 342 E HA 0.161 4.511 4.350 0.000 0.000 0.220 342 E C -0.568 176.066 176.600 0.057 0.000 1.866 342 E CA 0.002 56.438 56.400 0.060 0.000 1.096 342 E CB 0.625 30.366 29.700 0.068 0.000 1.402 342 E HN 0.507 nan 8.360 nan 0.000 0.619 343 T N -0.667 113.917 114.554 0.050 0.000 3.491 343 T HA 0.067 4.418 4.350 0.000 0.000 0.284 343 T C 0.948 175.688 174.700 0.066 0.000 0.905 343 T CA -0.026 62.110 62.100 0.060 0.000 1.017 343 T CB -0.188 68.707 68.868 0.045 0.000 1.202 343 T HN 0.149 nan 8.240 nan 0.000 0.518 344 N N 1.833 120.548 118.700 0.024 0.000 2.120 344 N HA 0.100 4.840 4.740 0.000 0.000 0.188 344 N C 1.774 177.291 175.510 0.012 0.000 1.024 344 N CA 1.144 54.191 53.050 -0.006 0.000 0.852 344 N CB -0.308 38.152 38.487 -0.045 0.000 1.003 344 N HN 0.369 nan 8.380 nan 0.000 0.424 345 L N 0.404 121.629 121.223 0.003 0.000 2.068 345 L HA -0.013 4.328 4.340 0.000 0.000 0.204 345 L C 2.388 179.341 176.870 0.139 0.000 1.076 345 L CA 0.724 55.572 54.840 0.012 0.000 0.753 345 L CB -0.386 41.586 42.059 -0.146 0.000 0.910 345 L HN 0.067 nan 8.230 nan 0.000 0.439 346 R N -0.535 120.040 120.500 0.126 0.000 2.133 346 R HA -0.286 4.055 4.340 0.000 0.000 0.245 346 R C 2.302 178.672 176.300 0.117 0.000 1.137 346 R CA 2.432 58.610 56.100 0.130 0.000 0.947 346 R CB -0.883 29.477 30.300 0.099 0.000 0.865 346 R HN 0.264 nan 8.270 nan 0.000 0.437 347 Y N 0.996 121.305 120.300 0.015 0.000 2.070 347 Y HA -0.298 4.252 4.550 0.000 0.000 0.280 347 Y C 2.020 177.907 175.900 -0.021 0.000 1.148 347 Y CA 1.587 59.681 58.100 -0.010 0.000 1.125 347 Y CB -0.271 38.166 38.460 -0.038 0.000 0.975 347 Y HN -0.050 nan 8.280 nan 0.000 0.492 348 L N 0.352 121.713 121.223 0.230 0.000 2.042 348 L HA -0.240 4.100 4.340 0.000 0.000 0.210 348 L C 2.677 179.614 176.870 0.111 0.000 1.076 348 L CA 2.021 56.840 54.840 -0.035 0.000 0.749 348 L CB -1.809 39.892 42.059 -0.597 0.000 0.893 348 L HN 0.431 nan 8.230 nan 0.000 0.432 349 A N -1.091 121.940 122.820 0.351 0.000 1.898 349 A HA -0.135 4.185 4.320 0.000 0.000 0.216 349 A C 2.330 180.015 177.584 0.169 0.000 1.181 349 A CA 1.373 53.679 52.037 0.447 0.000 0.620 349 A CB -0.644 18.619 19.000 0.439 0.000 0.819 349 A HN 0.391 nan 8.150 nan 0.000 0.442 350 L N -0.932 120.311 121.223 0.034 0.000 2.093 350 L HA -0.173 4.168 4.340 0.000 0.000 0.208 350 L C 2.623 179.439 176.870 -0.089 0.000 1.085 350 L CA 1.647 56.450 54.840 -0.062 0.000 0.755 350 L CB -0.404 41.565 42.059 -0.150 0.000 0.904 350 L HN 0.541 nan 8.230 nan 0.000 0.435 351 E N -0.503 119.615 120.200 -0.136 0.000 2.047 351 E HA -0.212 4.139 4.350 0.000 0.000 0.191 351 E C 2.351 178.962 176.600 0.017 0.000 0.987 351 E CA 1.324 57.662 56.400 -0.102 0.000 0.799 351 E CB 0.107 29.754 29.700 -0.089 0.000 0.752 351 E HN 0.254 nan 8.360 nan 0.000 0.449 352 S N 0.024 115.787 115.700 0.105 0.000 2.368 352 S HA -0.128 4.342 4.470 0.000 0.000 0.224 352 S C 1.925 176.577 174.600 0.087 0.000 1.029 352 S CA 1.162 59.459 58.200 0.162 0.000 0.988 352 S CB -0.147 63.275 63.200 0.370 0.000 0.838 352 S HN 0.290 nan 8.310 nan 0.000 0.462 353 M N 0.097 119.733 119.600 0.060 0.000 2.159 353 M HA -0.119 4.362 4.480 0.000 0.000 0.263 353 M C 2.366 178.676 176.300 0.017 0.000 1.063 353 M CA 1.407 56.716 55.300 0.014 0.000 1.110 353 M CB -0.353 32.237 32.600 -0.016 0.000 1.374 353 M HN 0.514 nan 8.290 nan 0.000 0.411 354 C N -0.066 119.242 119.300 0.013 0.000 2.435 354 C HA -0.103 4.357 4.460 0.000 0.000 0.279 354 C C 2.603 177.610 174.990 0.028 0.000 1.321 354 C CA 1.674 60.701 59.018 0.016 0.000 1.752 354 C CB -1.029 26.709 27.740 -0.003 0.000 1.959 354 C HN 0.601 nan 8.230 nan 0.000 0.500 355 T N 0.308 114.881 114.554 0.033 0.000 2.896 355 T HA -0.068 4.282 4.350 0.000 0.000 0.263 355 T C 1.568 176.290 174.700 0.037 0.000 1.050 355 T CA 1.053 63.177 62.100 0.040 0.000 1.140 355 T CB -0.271 68.629 68.868 0.053 0.000 0.877 355 T HN 0.573 nan 8.240 nan 0.000 0.457 356 L N 0.762 122.006 121.223 0.035 0.000 2.362 356 L HA 0.073 4.413 4.340 0.000 0.000 0.219 356 L C 2.391 179.274 176.870 0.021 0.000 1.134 356 L CA 0.688 55.545 54.840 0.028 0.000 0.807 356 L CB -0.291 41.779 42.059 0.020 0.000 0.927 356 L HN 0.209 nan 8.230 nan 0.000 0.447 357 A N -1.276 121.557 122.820 0.021 0.000 2.119 357 A HA -0.067 4.253 4.320 0.000 0.000 0.217 357 A C 1.919 179.506 177.584 0.005 0.000 1.153 357 A CA 1.142 53.189 52.037 0.015 0.000 0.692 357 A CB -0.346 18.667 19.000 0.022 0.000 0.799 357 A HN 0.495 nan 8.150 nan 0.000 0.458 358 S N 0.078 115.784 115.700 0.010 0.000 2.685 358 S HA 0.278 4.748 4.470 0.000 0.000 0.240 358 S C 0.442 175.034 174.600 -0.012 0.000 0.967 358 S CA 0.185 58.385 58.200 0.000 0.000 1.009 358 S CB -0.364 62.843 63.200 0.012 0.000 0.776 358 S HN 0.417 nan 8.310 nan 0.000 0.467 359 S N 0.904 116.593 115.700 -0.018 0.000 2.525 359 S HA 0.370 4.840 4.470 0.000 0.000 0.290 359 S C 0.289 174.830 174.600 -0.099 0.000 1.152 359 S CA -0.634 57.553 58.200 -0.022 0.000 1.072 359 S CB 1.501 64.708 63.200 0.013 0.000 1.027 359 S HN 0.380 nan 8.310 nan 0.000 0.500 360 E N 2.358 122.444 120.200 -0.190 0.000 2.501 360 E HA 0.227 4.577 4.350 0.000 0.000 0.200 360 E C -0.784 175.313 176.600 -0.839 0.000 1.016 360 E CA 0.105 56.214 56.400 -0.485 0.000 0.921 360 E CB 0.277 29.637 29.700 -0.566 0.000 1.034 360 E HN 0.765 nan 8.360 nan 0.000 0.468 361 F N -0.816 119.061 119.950 -0.122 0.000 2.837 361 F HA 0.085 4.612 4.527 0.000 0.000 0.328 361 F C 1.590 177.185 175.800 -0.342 0.000 1.173 361 F CA -0.247 57.613 58.000 -0.233 0.000 1.160 361 F CB 0.776 39.681 39.000 -0.159 0.000 1.115 361 F HN -0.057 nan 8.300 nan 0.000 0.512 362 S N -1.471 114.150 115.700 -0.132 0.000 2.496 362 S HA -0.093 4.377 4.470 0.000 0.000 0.224 362 S C 0.738 175.296 174.600 -0.070 0.000 0.996 362 S CA 0.607 58.759 58.200 -0.080 0.000 0.927 362 S CB -0.556 62.642 63.200 -0.004 0.000 0.774 362 S HN 0.526 nan 8.310 nan 0.000 0.524 363 H N 1.241 120.328 119.070 0.028 0.000 2.992 363 H HA -0.147 4.409 4.556 0.000 0.000 0.266 363 H C -0.076 175.246 175.328 -0.010 0.000 1.200 363 H CA 1.099 57.151 56.048 0.006 0.000 1.135 363 H CB -2.529 27.242 29.762 0.016 0.000 1.282 363 H HN 0.761 nan 8.280 nan 0.000 0.351 364 E N -2.473 117.755 120.200 0.046 0.000 2.553 364 E HA -0.242 4.108 4.350 0.000 0.000 0.264 364 E C 1.307 177.937 176.600 0.051 0.000 1.068 364 E CA 0.547 56.964 56.400 0.027 0.000 0.774 364 E CB -1.193 28.512 29.700 0.009 0.000 1.349 364 E HN 0.696 nan 8.360 nan 0.000 0.404 365 A N -0.048 122.819 122.820 0.078 0.000 2.042 365 A HA -0.209 4.111 4.320 0.000 0.000 0.222 365 A C 2.174 179.838 177.584 0.133 0.000 1.167 365 A CA 1.749 53.845 52.037 0.099 0.000 0.649 365 A CB -0.156 18.916 19.000 0.120 0.000 0.809 365 A HN 0.274 nan 8.150 nan 0.000 0.457 366 V N 0.132 120.116 119.914 0.117 0.000 2.392 366 V HA -0.275 3.845 4.120 0.000 0.000 0.249 366 V C 2.316 178.482 176.094 0.121 0.000 1.059 366 V CA 2.359 64.748 62.300 0.147 0.000 1.051 366 V CB -0.505 31.359 31.823 0.068 0.000 0.658 366 V HN 0.610 nan 8.190 nan 0.000 0.455 367 K N -0.761 119.663 120.400 0.039 0.000 2.442 367 K HA -0.124 4.196 4.320 0.000 0.000 0.198 367 K C 1.919 178.488 176.600 -0.051 0.000 1.044 367 K CA 1.434 57.716 56.287 -0.009 0.000 0.948 367 K CB -0.294 32.185 32.500 -0.035 0.000 0.762 367 K HN 0.433 nan 8.250 nan 0.000 0.472 368 T N 0.203 114.690 114.554 -0.112 0.000 2.995 368 T HA -0.049 4.301 4.350 0.000 0.000 0.269 368 T C 0.969 175.436 174.700 -0.389 0.000 1.091 368 T CA 0.791 62.713 62.100 -0.296 0.000 1.128 368 T CB -0.037 68.548 68.868 -0.471 0.000 0.891 368 T HN 0.318 nan 8.240 nan 0.000 0.492 369 H N 0.305 119.367 119.070 -0.013 0.000 2.520 369 H HA 0.322 4.878 4.556 0.000 0.000 0.284 369 H C 1.798 177.121 175.328 -0.008 0.000 1.037 369 H CA -0.128 55.915 56.048 -0.009 0.000 1.168 369 H CB 0.033 29.790 29.762 -0.007 0.000 1.497 369 H HN 0.391 nan 8.280 nan 0.000 0.547 370 I N 0.527 121.124 120.570 0.045 0.000 2.229 370 I HA -0.310 3.861 4.170 0.000 0.000 0.250 370 I C 2.189 178.324 176.117 0.030 0.000 1.096 370 I CA 1.368 62.684 61.300 0.027 0.000 1.358 370 I CB -0.130 37.866 38.000 -0.007 0.000 1.047 370 I HN 0.193 nan 8.210 nan 0.000 0.422 371 E N 0.916 121.131 120.200 0.025 0.000 2.015 371 E HA -0.134 4.216 4.350 0.000 0.000 0.191 371 E C 2.262 178.887 176.600 0.042 0.000 0.991 371 E CA 1.858 58.273 56.400 0.025 0.000 0.802 371 E CB -0.718 28.991 29.700 0.015 0.000 0.759 371 E HN 0.457 nan 8.360 nan 0.000 0.447 372 T N 2.045 116.639 114.554 0.067 0.000 2.649 372 T HA -0.198 4.152 4.350 0.000 0.000 0.268 372 T C 2.104 176.837 174.700 0.056 0.000 1.036 372 T CA 2.215 64.360 62.100 0.076 0.000 1.157 372 T CB -0.553 68.387 68.868 0.119 0.000 0.861 372 T HN 0.206 nan 8.240 nan 0.000 0.445 373 V N 0.188 120.134 119.914 0.053 0.000 2.488 373 V HA 0.067 4.187 4.120 0.000 0.000 0.246 373 V C 2.202 178.300 176.094 0.007 0.000 1.046 373 V CA 0.947 63.262 62.300 0.025 0.000 1.053 373 V CB -0.710 31.124 31.823 0.019 0.000 0.679 373 V HN 0.508 nan 8.190 nan 0.000 0.458 374 I N 1.664 122.242 120.570 0.013 0.000 2.248 374 I HA -0.280 3.890 4.170 0.000 0.000 0.248 374 I C 2.724 178.844 176.117 0.006 0.000 1.107 374 I CA 2.298 63.602 61.300 0.007 0.000 1.373 374 I CB -0.444 37.566 38.000 0.017 0.000 1.055 374 I HN 0.609 nan 8.210 nan 0.000 0.418 375 N N 1.385 120.095 118.700 0.016 0.000 2.028 375 N HA -0.220 4.520 4.740 0.000 0.000 0.194 375 N C 2.002 177.520 175.510 0.014 0.000 1.050 375 N CA 2.003 55.065 53.050 0.019 0.000 0.848 375 N CB -0.261 38.242 38.487 0.028 0.000 1.038 375 N HN 0.318 nan 8.380 nan 0.000 0.423 376 A N 1.523 124.352 122.820 0.015 0.000 1.944 376 A HA -0.233 4.087 4.320 0.000 0.000 0.222 376 A C 2.325 179.901 177.584 -0.014 0.000 1.237 376 A CA 2.080 54.122 52.037 0.008 0.000 0.668 376 A CB -1.167 17.836 19.000 0.005 0.000 0.830 376 A HN 0.495 nan 8.150 nan 0.000 0.471 377 L N -1.019 120.179 121.223 -0.042 0.000 2.156 377 L HA -0.032 4.308 4.340 0.000 0.000 0.208 377 L C 2.183 179.034 176.870 -0.032 0.000 1.095 377 L CA 2.568 57.353 54.840 -0.092 0.000 0.770 377 L CB -0.474 41.499 42.059 -0.143 0.000 0.914 377 L HN 0.409 nan 8.230 nan 0.000 0.439 378 K N -1.053 119.347 120.400 0.001 0.000 1.984 378 K HA -0.147 4.173 4.320 0.000 0.000 0.209 378 K C 2.055 178.677 176.600 0.037 0.000 1.046 378 K CA 2.000 58.305 56.287 0.029 0.000 0.934 378 K CB -0.301 32.216 32.500 0.028 0.000 0.717 378 K HN 0.641 nan 8.250 nan 0.000 0.438 379 T N -0.621 113.951 114.554 0.030 0.000 2.673 379 T HA -0.052 4.298 4.350 0.000 0.000 0.248 379 T C 0.406 175.129 174.700 0.039 0.000 1.080 379 T CA 0.099 62.219 62.100 0.034 0.000 1.203 379 T CB -0.470 68.416 68.868 0.030 0.000 0.893 379 T HN 0.016 nan 8.240 nan 0.000 0.404 380 E N 2.996 123.217 120.200 0.035 0.000 3.434 380 E HA -0.081 4.269 4.350 0.000 0.000 0.248 380 E C 0.317 176.950 176.600 0.054 0.000 0.895 380 E CA 0.531 56.956 56.400 0.041 0.000 0.953 380 E CB 0.109 29.831 29.700 0.037 0.000 0.893 380 E HN 0.555 nan 8.360 nan 0.000 0.570 381 R N 2.341 122.873 120.500 0.053 0.000 2.649 381 R HA 0.243 4.583 4.340 0.000 0.000 0.270 381 R C 0.042 176.380 176.300 0.064 0.000 1.105 381 R CA -0.474 55.662 56.100 0.061 0.000 1.193 381 R CB 0.361 30.690 30.300 0.047 0.000 1.120 381 R HN 0.459 nan 8.270 nan 0.000 0.561 382 D N -0.676 119.765 120.400 0.069 0.000 3.273 382 D HA -0.110 4.530 4.640 0.000 0.000 0.209 382 D C 0.055 176.413 176.300 0.097 0.000 1.184 382 D CA 0.092 54.135 54.000 0.072 0.000 0.687 382 D CB -0.504 40.337 40.800 0.068 0.000 0.501 382 D HN 0.238 nan 8.370 nan 0.000 0.234 383 V N 2.862 122.836 119.914 0.100 0.000 2.688 383 V HA -0.245 3.875 4.120 0.000 0.000 0.256 383 V C 2.441 178.618 176.094 0.138 0.000 1.084 383 V CA 2.399 64.779 62.300 0.134 0.000 1.103 383 V CB -0.707 31.181 31.823 0.108 0.000 0.688 383 V HN 0.733 nan 8.190 nan 0.000 0.480 384 S N -0.411 115.371 115.700 0.137 0.000 2.345 384 S HA -0.147 4.323 4.470 0.000 0.000 0.219 384 S C 1.960 176.685 174.600 0.209 0.000 1.031 384 S CA 1.401 59.727 58.200 0.210 0.000 0.984 384 S CB -0.631 62.723 63.200 0.256 0.000 0.874 384 S HN 0.307 nan 8.310 nan 0.000 0.451 385 V N 2.584 122.623 119.914 0.208 0.000 2.332 385 V HA -0.178 3.942 4.120 0.000 0.000 0.248 385 V C 2.921 178.998 176.094 -0.027 0.000 1.055 385 V CA 2.151 64.503 62.300 0.087 0.000 1.038 385 V CB -0.879 31.009 31.823 0.108 0.000 0.651 385 V HN 0.403 nan 8.190 nan 0.000 0.450 386 R N -0.632 119.862 120.500 -0.009 0.000 2.117 386 R HA -0.224 4.116 4.340 0.000 0.000 0.243 386 R C 2.429 178.569 176.300 -0.266 0.000 1.143 386 R CA 1.827 57.846 56.100 -0.136 0.000 0.968 386 R CB -0.262 30.038 30.300 -0.001 0.000 0.863 386 R HN 0.621 nan 8.270 nan 0.000 0.444 387 Q N -0.523 119.230 119.800 -0.078 0.000 2.062 387 Q HA -0.033 4.307 4.340 0.000 0.000 0.196 387 Q C 1.978 177.913 176.000 -0.109 0.000 0.967 387 Q CA 0.770 56.536 55.803 -0.063 0.000 0.832 387 Q CB 0.137 28.904 28.738 0.049 0.000 0.899 387 Q HN 0.124 nan 8.270 nan 0.000 0.442 388 R N 0.277 120.694 120.500 -0.138 0.000 2.200 388 R HA -0.101 4.239 4.340 0.000 0.000 0.234 388 R C 1.802 178.006 176.300 -0.159 0.000 1.127 388 R CA 1.137 57.114 56.100 -0.206 0.000 0.989 388 R CB -0.648 29.371 30.300 -0.469 0.000 0.869 388 R HN 0.271 nan 8.270 nan 0.000 0.459 389 A N 0.287 123.014 122.820 -0.154 0.000 1.843 389 A HA -0.034 4.286 4.320 0.000 0.000 0.213 389 A C 2.420 179.940 177.584 -0.107 0.000 1.202 389 A CA 0.877 52.840 52.037 -0.124 0.000 0.607 389 A CB -0.673 18.244 19.000 -0.139 0.000 0.847 389 A HN 0.062 nan 8.150 nan 0.000 0.445 390 V N 1.121 120.933 119.914 -0.170 0.000 2.317 390 V HA -0.312 3.808 4.120 0.000 0.000 0.251 390 V C 2.118 178.209 176.094 -0.005 0.000 1.065 390 V CA 2.630 64.864 62.300 -0.111 0.000 1.049 390 V CB -0.842 30.878 31.823 -0.170 0.000 0.651 390 V HN 0.544 nan 8.190 nan 0.000 0.450 391 D N -0.731 119.656 120.400 -0.022 0.000 2.144 391 D HA -0.129 4.511 4.640 0.000 0.000 0.200 391 D C 1.843 178.188 176.300 0.075 0.000 0.978 391 D CA 0.886 54.899 54.000 0.022 0.000 0.833 391 D CB -0.293 40.497 40.800 -0.017 0.000 0.961 391 D HN 0.352 nan 8.370 nan 0.000 0.470 392 L N 0.483 121.722 121.223 0.027 0.000 2.017 392 L HA -0.078 4.262 4.340 0.000 0.000 0.208 392 L C 2.101 179.008 176.870 0.061 0.000 1.073 392 L CA 1.372 56.233 54.840 0.035 0.000 0.745 392 L CB -0.590 41.470 42.059 0.003 0.000 0.894 392 L HN 0.026 nan 8.230 nan 0.000 0.432 393 L N -1.875 119.384 121.223 0.059 0.000 2.042 393 L HA -0.281 4.059 4.340 0.000 0.000 0.210 393 L C 2.505 179.441 176.870 0.110 0.000 1.076 393 L CA 1.671 56.550 54.840 0.066 0.000 0.749 393 L CB -0.759 41.333 42.059 0.055 0.000 0.893 393 L HN 0.360 nan 8.230 nan 0.000 0.432 394 Y N 0.575 120.895 120.300 0.034 0.000 2.224 394 Y HA -0.223 4.327 4.550 0.000 0.000 0.289 394 Y C 2.324 178.264 175.900 0.068 0.000 1.146 394 Y CA 1.353 59.491 58.100 0.064 0.000 1.182 394 Y CB -0.087 38.407 38.460 0.056 0.000 0.983 394 Y HN 0.101 nan 8.280 nan 0.000 0.524 395 A N 0.184 123.096 122.820 0.154 0.000 2.238 395 A HA 0.071 4.391 4.320 0.000 0.000 0.208 395 A C 1.643 179.231 177.584 0.005 0.000 1.177 395 A CA 0.908 52.987 52.037 0.071 0.000 0.804 395 A CB -0.941 18.125 19.000 0.112 0.000 0.823 395 A HN 0.688 nan 8.150 nan 0.000 0.482 396 M N -3.277 116.314 119.600 -0.014 0.000 2.414 396 M HA 0.389 4.869 4.480 0.000 0.000 0.393 396 M C -0.267 175.973 176.300 -0.099 0.000 1.055 396 M CA -0.525 54.751 55.300 -0.040 0.000 0.937 396 M CB -0.260 32.334 32.600 -0.011 0.000 1.631 396 M HN -0.001 nan 8.290 nan 0.000 0.567 397 C N 3.678 122.902 119.300 -0.128 0.000 2.632 397 C HA 0.438 4.898 4.460 0.000 0.000 0.415 397 C C 0.094 174.729 174.990 -0.591 0.000 1.332 397 C CA 0.253 59.120 59.018 -0.252 0.000 1.874 397 C CB -0.406 27.271 27.740 -0.105 0.000 2.596 397 C HN 0.819 nan 8.230 nan 0.000 0.590 398 D N 2.959 122.941 120.400 -0.697 0.000 2.758 398 D HA 0.344 4.984 4.640 0.000 0.000 0.279 398 D C 0.675 176.465 176.300 -0.851 0.000 1.111 398 D CA -0.839 52.612 54.000 -0.916 0.000 1.109 398 D CB 0.420 40.993 40.800 -0.379 0.000 1.428 398 D HN 0.475 nan 8.370 nan 0.000 0.586 399 R N -0.258 119.973 120.500 -0.447 0.000 2.189 399 R HA 0.005 4.345 4.340 0.000 0.000 0.223 399 R C 1.789 177.981 176.300 -0.180 0.000 1.092 399 R CA 1.245 57.243 56.100 -0.170 0.000 0.989 399 R CB -0.516 29.784 30.300 -0.001 0.000 0.876 399 R HN 0.375 nan 8.270 nan 0.000 0.457 400 S N 1.841 117.430 115.700 -0.185 0.000 2.368 400 S HA -0.124 4.346 4.470 0.000 0.000 0.224 400 S C 1.432 175.944 174.600 -0.146 0.000 1.029 400 S CA 1.549 59.661 58.200 -0.146 0.000 0.988 400 S CB -0.333 62.794 63.200 -0.121 0.000 0.838 400 S HN 0.638 nan 8.310 nan 0.000 0.462 401 N N 0.706 119.314 118.700 -0.153 0.000 2.187 401 N HA 0.390 5.131 4.740 0.000 0.000 0.212 401 N C 1.450 176.910 175.510 -0.084 0.000 1.152 401 N CA 0.468 53.452 53.050 -0.110 0.000 0.872 401 N CB 0.221 38.656 38.487 -0.087 0.000 1.025 401 N HN 0.314 nan 8.380 nan 0.000 0.514 402 A N 2.180 124.934 122.820 -0.111 0.000 1.865 402 A HA -0.235 4.085 4.320 0.000 0.000 0.217 402 A C 2.297 179.936 177.584 0.091 0.000 1.191 402 A CA 1.411 53.462 52.037 0.023 0.000 0.623 402 A CB -0.699 18.361 19.000 0.099 0.000 0.826 402 A HN 0.322 nan 8.150 nan 0.000 0.444 403 Q N -1.045 118.642 119.800 -0.189 0.000 2.096 403 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 403 Q C 2.427 178.483 176.000 0.093 0.000 0.982 403 Q CA 1.598 57.320 55.803 -0.135 0.000 0.850 403 Q CB -0.219 28.189 28.738 -0.551 0.000 0.901 403 Q HN 0.679 nan 8.270 nan 0.000 0.422 404 Q N 0.236 120.040 119.800 0.007 0.000 2.077 404 Q HA -0.200 4.140 4.340 0.000 0.000 0.206 404 Q C 2.091 178.135 176.000 0.072 0.000 0.989 404 Q CA 1.382 57.203 55.803 0.029 0.000 0.853 404 Q CB -0.091 28.640 28.738 -0.011 0.000 0.907 404 Q HN 0.468 nan 8.270 nan 0.000 0.418 405 I N -0.501 120.121 120.570 0.086 0.000 2.235 405 I HA -0.220 3.950 4.170 0.000 0.000 0.241 405 I C 2.327 178.532 176.117 0.147 0.000 1.085 405 I CA 0.444 61.804 61.300 0.100 0.000 1.378 405 I CB -0.226 37.828 38.000 0.089 0.000 1.076 405 I HN -0.017 nan 8.210 nan 0.000 0.415 406 V N 1.456 121.502 119.914 0.220 0.000 2.317 406 V HA -0.393 3.727 4.120 0.000 0.000 0.251 406 V C 2.697 178.895 176.094 0.173 0.000 1.065 406 V CA 2.208 64.645 62.300 0.229 0.000 1.049 406 V CB -1.259 30.781 31.823 0.361 0.000 0.651 406 V HN 0.530 nan 8.190 nan 0.000 0.450 407 A N -0.305 122.629 122.820 0.190 0.000 1.841 407 A HA -0.269 4.051 4.320 0.000 0.000 0.216 407 A C 2.178 179.825 177.584 0.106 0.000 1.199 407 A CA 2.054 54.175 52.037 0.140 0.000 0.621 407 A CB -0.687 18.394 19.000 0.136 0.000 0.835 407 A HN 0.497 nan 8.150 nan 0.000 0.445 408 E N -0.800 119.458 120.200 0.097 0.000 2.219 408 E HA -0.166 4.184 4.350 0.000 0.000 0.198 408 E C 1.937 178.598 176.600 0.102 0.000 0.998 408 E CA 1.321 57.770 56.400 0.082 0.000 0.818 408 E CB -0.271 29.465 29.700 0.060 0.000 0.741 408 E HN 0.635 nan 8.360 nan 0.000 0.477 409 M N -0.939 118.728 119.600 0.113 0.000 2.236 409 M HA -0.035 4.445 4.480 0.000 0.000 0.266 409 M C 1.752 178.131 176.300 0.132 0.000 1.070 409 M CA 0.788 56.170 55.300 0.137 0.000 1.137 409 M CB 0.086 32.766 32.600 0.134 0.000 1.378 409 M HN 0.146 nan 8.290 nan 0.000 0.426 410 L N -0.562 120.716 121.223 0.091 0.000 2.131 410 L HA -0.188 4.152 4.340 0.000 0.000 0.210 410 L C 2.637 179.536 176.870 0.049 0.000 1.092 410 L CA 1.493 56.364 54.840 0.051 0.000 0.759 410 L CB -0.586 41.493 42.059 0.033 0.000 0.903 410 L HN 0.408 nan 8.230 nan 0.000 0.435 411 S N -1.305 114.441 115.700 0.077 0.000 2.436 411 S HA -0.218 4.252 4.470 0.000 0.000 0.228 411 S C 2.009 176.671 174.600 0.103 0.000 1.014 411 S CA 0.439 58.682 58.200 0.071 0.000 0.950 411 S CB -0.546 62.698 63.200 0.073 0.000 0.784 411 S HN 0.480 nan 8.310 nan 0.000 0.504 412 Y N 2.136 122.437 120.300 0.002 0.000 2.314 412 Y HA 0.164 4.714 4.550 0.000 0.000 0.293 412 Y C 1.982 177.867 175.900 -0.024 0.000 1.129 412 Y CA 0.958 59.056 58.100 -0.004 0.000 1.201 412 Y CB -0.526 37.935 38.460 0.002 0.000 0.999 412 Y HN 0.354 nan 8.280 nan 0.000 0.541 413 L N 0.425 121.605 121.223 -0.071 0.000 2.042 413 L HA -0.199 4.141 4.340 0.000 0.000 0.210 413 L C 2.244 178.997 176.870 -0.195 0.000 1.076 413 L CA 2.237 56.966 54.840 -0.184 0.000 0.749 413 L CB -0.703 41.303 42.059 -0.089 0.000 0.893 413 L HN 0.225 nan 8.230 nan 0.000 0.432 414 E N -0.820 119.315 120.200 -0.109 0.000 2.187 414 E HA -0.235 4.116 4.350 0.000 0.000 0.199 414 E C 0.819 177.357 176.600 -0.103 0.000 1.004 414 E CA 1.659 58.006 56.400 -0.089 0.000 0.813 414 E CB -0.022 29.656 29.700 -0.036 0.000 0.736 414 E HN 0.721 nan 8.360 nan 0.000 0.468 415 T N -2.951 111.529 114.554 -0.124 0.000 3.415 415 T HA 0.642 4.992 4.350 0.000 0.000 0.282 415 T C -0.315 174.290 174.700 -0.159 0.000 1.007 415 T CA -0.290 61.754 62.100 -0.094 0.000 0.958 415 T CB 0.934 69.779 68.868 -0.039 0.000 1.171 415 T HN 0.119 nan 8.240 nan 0.000 0.500 416 A N 1.008 123.680 122.820 -0.246 0.000 2.320 416 A HA 0.728 5.048 4.320 0.000 0.000 0.334 416 A C -0.344 177.161 177.584 -0.132 0.000 1.147 416 A CA -0.864 50.980 52.037 -0.321 0.000 0.820 416 A CB 0.572 19.228 19.000 -0.572 0.000 1.218 416 A HN 0.546 nan 8.150 nan 0.000 0.482 417 D N -0.078 120.275 120.400 -0.078 0.000 2.370 417 D HA 0.066 4.707 4.640 0.000 0.000 0.235 417 D C 0.107 176.471 176.300 0.105 0.000 1.228 417 D CA 0.469 54.501 54.000 0.053 0.000 0.884 417 D CB 0.097 40.894 40.800 -0.004 0.000 1.201 417 D HN 0.466 nan 8.370 nan 0.000 0.456 418 Y N -0.394 119.793 120.300 -0.188 0.000 2.475 418 Y HA -0.032 4.518 4.550 0.000 0.000 0.289 418 Y C 2.405 178.137 175.900 -0.279 0.000 1.121 418 Y CA 0.433 58.360 58.100 -0.288 0.000 1.257 418 Y CB -0.818 37.572 38.460 -0.117 0.000 1.026 418 Y HN 0.308 nan 8.280 nan 0.000 0.555 419 S N -0.813 114.890 115.700 0.006 0.000 2.481 419 S HA -0.074 4.397 4.470 0.000 0.000 0.231 419 S C 1.670 176.230 174.600 -0.067 0.000 0.996 419 S CA 0.807 58.999 58.200 -0.012 0.000 0.942 419 S CB -0.283 62.922 63.200 0.008 0.000 0.768 419 S HN 0.185 nan 8.310 nan 0.000 0.520 420 I N 1.791 122.290 120.570 -0.118 0.000 2.852 420 I HA 0.144 4.314 4.170 0.000 0.000 0.264 420 I C 2.437 178.416 176.117 -0.229 0.000 1.179 420 I CA 0.181 61.399 61.300 -0.138 0.000 1.480 420 I CB -0.991 36.924 38.000 -0.142 0.000 1.111 420 I HN 0.191 nan 8.210 nan 0.000 0.441 421 R N 0.808 121.054 120.500 -0.422 0.000 2.082 421 R HA -0.229 4.111 4.340 0.000 0.000 0.234 421 R C 2.097 178.200 176.300 -0.328 0.000 1.136 421 R CA 1.778 57.525 56.100 -0.589 0.000 0.935 421 R CB -0.739 28.724 30.300 -1.396 0.000 0.842 421 R HN 0.464 nan 8.270 nan 0.000 0.430 422 E N 1.198 121.268 120.200 -0.216 0.000 2.051 422 E HA -0.229 4.121 4.350 0.000 0.000 0.192 422 E C 1.865 178.464 176.600 -0.002 0.000 0.991 422 E CA 1.855 58.287 56.400 0.053 0.000 0.799 422 E CB -0.001 29.811 29.700 0.186 0.000 0.748 422 E HN 0.546 nan 8.360 nan 0.000 0.449 423 E N 0.266 120.445 120.200 -0.035 0.000 2.204 423 E HA -0.166 4.184 4.350 0.000 0.000 0.194 423 E C 2.019 178.591 176.600 -0.046 0.000 0.989 423 E CA 1.250 57.626 56.400 -0.040 0.000 0.824 423 E CB -0.266 29.406 29.700 -0.046 0.000 0.756 423 E HN 0.403 nan 8.360 nan 0.000 0.477 424 I N 0.644 121.186 120.570 -0.046 0.000 2.333 424 I HA -0.178 3.992 4.170 0.000 0.000 0.246 424 I C 2.240 178.357 176.117 -0.000 0.000 1.106 424 I CA 0.426 61.718 61.300 -0.014 0.000 1.411 424 I CB -0.074 37.917 38.000 -0.015 0.000 1.082 424 I HN 0.087 nan 8.210 nan 0.000 0.420 425 V N 1.192 121.097 119.914 -0.015 0.000 2.282 425 V HA -0.316 3.804 4.120 0.000 0.000 0.249 425 V C 2.423 178.530 176.094 0.020 0.000 1.057 425 V CA 1.767 64.069 62.300 0.004 0.000 1.032 425 V CB -0.477 31.361 31.823 0.024 0.000 0.645 425 V HN 0.262 nan 8.190 nan 0.000 0.447 426 L N -0.325 120.910 121.223 0.022 0.000 1.961 426 L HA -0.161 4.179 4.340 0.000 0.000 0.210 426 L C 2.313 179.229 176.870 0.076 0.000 1.072 426 L CA 1.797 56.659 54.840 0.035 0.000 0.749 426 L CB -1.502 40.569 42.059 0.019 0.000 0.889 426 L HN 0.271 nan 8.230 nan 0.000 0.432 427 K N -0.619 119.815 120.400 0.057 0.000 2.071 427 K HA -0.233 4.087 4.320 0.000 0.000 0.217 427 K C 2.029 178.784 176.600 0.260 0.000 1.054 427 K CA 1.901 58.293 56.287 0.175 0.000 0.937 427 K CB -0.638 31.850 32.500 -0.021 0.000 0.719 427 K HN 0.136 nan 8.250 nan 0.000 0.454 428 V N 1.002 121.002 119.914 0.144 0.000 2.261 428 V HA -0.284 3.837 4.120 0.000 0.000 0.246 428 V C 2.385 178.521 176.094 0.070 0.000 1.047 428 V CA 2.056 64.422 62.300 0.110 0.000 1.015 428 V CB -0.760 31.093 31.823 0.049 0.000 0.642 428 V HN 0.439 nan 8.190 nan 0.000 0.446 429 A N -0.102 122.744 122.820 0.042 0.000 1.892 429 A HA -0.245 4.075 4.320 0.000 0.000 0.218 429 A C 2.100 179.734 177.584 0.084 0.000 1.188 429 A CA 2.300 54.354 52.037 0.029 0.000 0.631 429 A CB -0.668 18.347 19.000 0.025 0.000 0.822 429 A HN 0.419 nan 8.150 nan 0.000 0.447 430 I N 0.076 120.709 120.570 0.105 0.000 2.053 430 I HA -0.320 3.850 4.170 0.000 0.000 0.236 430 I C 2.505 178.653 176.117 0.051 0.000 1.038 430 I CA 1.702 63.056 61.300 0.090 0.000 1.304 430 I CB -0.698 37.401 38.000 0.165 0.000 1.023 430 I HN 0.344 nan 8.210 nan 0.000 0.395 431 L N -0.287 121.005 121.223 0.115 0.000 2.089 431 L HA -0.313 4.027 4.340 0.000 0.000 0.213 431 L C 2.580 179.595 176.870 0.242 0.000 1.079 431 L CA 1.640 56.588 54.840 0.180 0.000 0.758 431 L CB -1.026 41.201 42.059 0.279 0.000 0.891 431 L HN 0.369 nan 8.230 nan 0.000 0.433 432 A N 0.877 123.801 122.820 0.173 0.000 1.854 432 A HA -0.208 4.112 4.320 0.000 0.000 0.214 432 A C 2.152 179.875 177.584 0.232 0.000 1.192 432 A CA 1.422 53.544 52.037 0.140 0.000 0.611 432 A CB -0.511 18.324 19.000 -0.274 0.000 0.832 432 A HN 0.574 nan 8.150 nan 0.000 0.442 433 E N -0.168 120.159 120.200 0.211 0.000 2.516 433 E HA -0.097 4.253 4.350 0.000 0.000 0.199 433 E C 1.572 178.115 176.600 -0.096 0.000 1.069 433 E CA 1.285 57.645 56.400 -0.067 0.000 0.876 433 E CB -0.068 29.618 29.700 -0.023 0.000 0.843 433 E HN 0.663 nan 8.360 nan 0.000 0.530 434 K N -0.421 119.924 120.400 -0.091 0.000 2.329 434 K HA 0.033 4.353 4.320 0.000 0.000 0.198 434 K C 0.677 177.112 176.600 -0.274 0.000 1.085 434 K CA 0.259 56.377 56.287 -0.281 0.000 0.961 434 K CB 0.143 32.312 32.500 -0.552 0.000 0.971 434 K HN 0.226 nan 8.250 nan 0.000 0.502 435 Y N 0.671 121.049 120.300 0.130 0.000 2.531 435 Y HA 0.431 4.981 4.550 0.000 0.000 0.249 435 Y C 0.166 176.148 175.900 0.137 0.000 1.168 435 Y CA -0.910 57.257 58.100 0.113 0.000 1.226 435 Y CB 1.140 39.653 38.460 0.088 0.000 1.177 435 Y HN 0.052 nan 8.280 nan 0.000 0.527 436 A N 0.723 123.746 122.820 0.337 0.000 2.401 436 A HA 0.377 4.697 4.320 0.000 0.000 0.259 436 A C 1.111 178.840 177.584 0.241 0.000 1.103 436 A CA -0.058 52.176 52.037 0.327 0.000 0.789 436 A CB 0.381 19.494 19.000 0.189 0.000 1.035 436 A HN 0.247 nan 8.150 nan 0.000 0.491 437 V N -0.349 119.666 119.914 0.169 0.000 2.721 437 V HA 0.153 4.273 4.120 0.000 0.000 0.236 437 V C 0.708 176.979 176.094 0.296 0.000 1.116 437 V CA 0.681 63.101 62.300 0.199 0.000 1.148 437 V CB -1.001 30.848 31.823 0.043 0.000 0.886 437 V HN 0.683 nan 8.190 nan 0.000 0.490 438 D N -0.386 120.126 120.400 0.186 0.000 2.338 438 D HA 0.135 4.776 4.640 0.000 0.000 0.255 438 D C 0.326 176.853 176.300 0.379 0.000 1.237 438 D CA -0.000 54.136 54.000 0.226 0.000 0.883 438 D CB 0.865 41.727 40.800 0.103 0.000 1.087 438 D HN 0.342 nan 8.370 nan 0.000 0.485 439 Y N 1.358 121.760 120.300 0.169 0.000 2.516 439 Y HA -0.106 4.444 4.550 0.000 0.000 0.291 439 Y C 2.578 178.622 175.900 0.240 0.000 1.131 439 Y CA 1.149 59.385 58.100 0.226 0.000 1.281 439 Y CB -0.235 38.308 38.460 0.138 0.000 1.013 439 Y HN 0.486 nan 8.280 nan 0.000 0.554 440 T N -3.828 110.843 114.554 0.195 0.000 2.962 440 T HA -0.244 4.106 4.350 0.000 0.000 0.270 440 T C 1.667 176.444 174.700 0.129 0.000 1.088 440 T CA 1.099 63.179 62.100 -0.034 0.000 1.127 440 T CB -0.590 67.832 68.868 -0.744 0.000 0.883 440 T HN 0.576 nan 8.240 nan 0.000 0.493 441 W N 0.449 121.754 121.300 0.007 0.000 2.481 441 W HA 0.108 4.768 4.660 0.000 0.000 0.293 441 W C 1.975 178.516 176.519 0.037 0.000 1.201 441 W CA 0.134 57.494 57.345 0.025 0.000 1.328 441 W CB -0.461 29.005 29.460 0.010 0.000 1.112 441 W HN 0.220 nan 8.180 nan 0.000 0.546 442 Y N 1.189 121.401 120.300 -0.147 0.000 2.030 442 Y HA -0.346 4.204 4.550 0.000 0.000 0.274 442 Y C 2.328 178.067 175.900 -0.268 0.000 1.153 442 Y CA 3.211 61.040 58.100 -0.451 0.000 1.115 442 Y CB -1.175 37.022 38.460 -0.438 0.000 0.969 442 Y HN -0.158 nan 8.280 nan 0.000 0.488 443 V N 0.959 120.848 119.914 -0.041 0.000 2.278 443 V HA -0.371 3.749 4.120 0.000 0.000 0.251 443 V C 2.189 178.216 176.094 -0.113 0.000 1.062 443 V CA 2.456 64.725 62.300 -0.052 0.000 1.038 443 V CB -0.822 31.163 31.823 0.271 0.000 0.646 443 V HN 0.503 nan 8.190 nan 0.000 0.447 444 D N -0.828 119.582 120.400 0.017 0.000 2.117 444 D HA -0.128 4.512 4.640 0.000 0.000 0.197 444 D C 2.251 178.442 176.300 -0.182 0.000 0.987 444 D CA 1.761 55.773 54.000 0.021 0.000 0.829 444 D CB -0.252 40.645 40.800 0.161 0.000 0.961 444 D HN 0.456 nan 8.370 nan 0.000 0.460 445 T N 1.149 115.448 114.554 -0.425 0.000 2.545 445 T HA -0.162 4.188 4.350 0.000 0.000 0.261 445 T C 2.008 176.478 174.700 -0.382 0.000 1.097 445 T CA 1.001 62.794 62.100 -0.513 0.000 1.189 445 T CB -0.326 67.991 68.868 -0.920 0.000 0.863 445 T HN 0.086 nan 8.240 nan 0.000 0.405 446 I N 1.821 122.088 120.570 -0.506 0.000 2.147 446 I HA -0.186 3.984 4.170 0.000 0.000 0.245 446 I C 2.095 178.092 176.117 -0.201 0.000 1.059 446 I CA 1.633 62.711 61.300 -0.370 0.000 1.320 446 I CB -1.411 36.292 38.000 -0.496 0.000 1.021 446 I HN 0.345 nan 8.210 nan 0.000 0.415 447 L N -1.232 119.891 121.223 -0.168 0.000 2.627 447 L HA 0.181 4.521 4.340 0.000 0.000 0.233 447 L C 1.445 178.272 176.870 -0.072 0.000 1.144 447 L CA 0.819 55.606 54.840 -0.089 0.000 0.892 447 L CB -1.745 40.281 42.059 -0.055 0.000 1.039 447 L HN 0.014 nan 8.230 nan 0.000 0.442 448 N N 0.514 119.160 118.700 -0.089 0.000 2.148 448 N HA -0.015 4.726 4.740 0.000 0.000 0.186 448 N C 1.584 177.058 175.510 -0.060 0.000 1.031 448 N CA 1.240 54.251 53.050 -0.065 0.000 0.848 448 N CB -0.324 38.123 38.487 -0.067 0.000 1.005 448 N HN 0.257 nan 8.380 nan 0.000 0.427 449 L N 1.132 122.311 121.223 -0.073 0.000 1.990 449 L HA -0.160 4.180 4.340 0.000 0.000 0.213 449 L C 2.087 178.937 176.870 -0.032 0.000 1.072 449 L CA 1.365 56.173 54.840 -0.053 0.000 0.755 449 L CB -0.727 41.298 42.059 -0.056 0.000 0.889 449 L HN 0.204 nan 8.230 nan 0.000 0.432 450 I N -1.359 119.193 120.570 -0.030 0.000 2.163 450 I HA -0.326 3.844 4.170 0.000 0.000 0.243 450 I C 2.752 178.864 176.117 -0.009 0.000 1.085 450 I CA 1.191 62.487 61.300 -0.007 0.000 1.347 450 I CB -0.394 37.590 38.000 -0.026 0.000 1.044 450 I HN 0.267 nan 8.210 nan 0.000 0.408 451 R N 1.323 121.806 120.500 -0.028 0.000 2.147 451 R HA -0.085 4.255 4.340 0.000 0.000 0.225 451 R C 0.735 177.016 176.300 -0.031 0.000 1.120 451 R CA 1.559 57.643 56.100 -0.027 0.000 0.891 451 R CB -0.090 30.192 30.300 -0.031 0.000 0.822 451 R HN 0.201 nan 8.270 nan 0.000 0.433 452 I N 0.045 120.590 120.570 -0.042 0.000 2.428 452 I HA 0.299 4.469 4.170 0.000 0.000 0.279 452 I C -0.317 175.758 176.117 -0.071 0.000 1.040 452 I CA 0.040 61.307 61.300 -0.056 0.000 1.171 452 I CB 1.764 39.736 38.000 -0.047 0.000 1.312 452 I HN 0.657 nan 8.210 nan 0.000 0.470 453 A N 4.189 126.959 122.820 -0.085 0.000 3.949 453 A HA -0.043 4.277 4.320 0.000 0.000 0.177 453 A C 1.434 179.004 177.584 -0.024 0.000 2.198 453 A CA 0.254 52.253 52.037 -0.063 0.000 1.538 453 A CB -1.649 17.307 19.000 -0.073 0.000 0.366 453 A HN 0.739 nan 8.150 nan 0.000 0.569 454 G N 0.179 108.910 108.800 -0.116 0.000 2.448 454 G HA2 -0.100 3.860 3.960 0.000 0.000 0.219 454 G HA3 -0.100 3.860 3.960 0.000 0.000 0.219 454 G C 0.888 175.647 174.900 -0.235 0.000 1.127 454 G CA 1.422 46.472 45.100 -0.084 0.000 0.766 454 G HN 0.490 nan 8.290 nan 0.000 0.552 455 D N -0.485 119.517 120.400 -0.664 0.000 2.354 455 D HA -0.071 4.569 4.640 0.000 0.000 0.216 455 D C 0.953 176.879 176.300 -0.623 0.000 0.970 455 D CA 0.778 54.353 54.000 -0.708 0.000 0.905 455 D CB 0.001 40.302 40.800 -0.832 0.000 0.903 455 D HN 0.546 nan 8.370 nan 0.000 0.508 456 Y N -1.028 119.210 120.300 -0.104 0.000 2.500 456 Y HA 0.194 4.745 4.550 0.000 0.000 0.246 456 Y C 0.543 176.429 175.900 -0.023 0.000 1.146 456 Y CA -0.328 57.732 58.100 -0.065 0.000 1.230 456 Y CB 0.915 39.309 38.460 -0.110 0.000 1.214 456 Y HN -0.281 nan 8.280 nan 0.000 0.526 457 V N 2.403 122.370 119.914 0.087 0.000 2.408 457 V HA 0.284 4.404 4.120 0.000 0.000 0.267 457 V C 0.331 176.488 176.094 0.105 0.000 1.047 457 V CA -0.547 61.808 62.300 0.092 0.000 0.937 457 V CB 0.047 31.929 31.823 0.098 0.000 0.999 457 V HN 0.361 nan 8.190 nan 0.000 0.472 458 S N 5.372 121.104 115.700 0.052 0.000 2.634 458 S HA 0.319 4.790 4.470 0.000 0.000 0.261 458 S C 0.995 175.536 174.600 -0.098 0.000 1.271 458 S CA -0.546 57.649 58.200 -0.007 0.000 0.985 458 S CB 0.795 63.965 63.200 -0.050 0.000 0.968 458 S HN 0.778 nan 8.310 nan 0.000 0.568 459 E N 1.087 121.103 120.200 -0.306 0.000 2.077 459 E HA -0.186 4.164 4.350 0.000 0.000 0.193 459 E C 1.861 177.681 176.600 -1.300 0.000 0.989 459 E CA 1.333 57.150 56.400 -0.971 0.000 0.800 459 E CB -0.354 28.768 29.700 -0.964 0.000 0.746 459 E HN 0.695 nan 8.360 nan 0.000 0.452 460 E N 0.552 120.346 120.200 -0.676 0.000 2.086 460 E HA -0.204 4.146 4.350 0.000 0.000 0.200 460 E C 2.272 178.703 176.600 -0.282 0.000 1.012 460 E CA 1.896 58.061 56.400 -0.392 0.000 0.812 460 E CB -0.352 29.244 29.700 -0.173 0.000 0.743 460 E HN 0.176 nan 8.360 nan 0.000 0.453 461 V N 0.670 120.468 119.914 -0.193 0.000 2.295 461 V HA -0.244 3.876 4.120 0.000 0.000 0.246 461 V C 2.261 178.367 176.094 0.020 0.000 1.049 461 V CA 2.043 64.317 62.300 -0.043 0.000 1.024 461 V CB -1.463 30.370 31.823 0.016 0.000 0.648 461 V HN 0.542 nan 8.190 nan 0.000 0.447 462 W N -0.519 120.718 121.300 -0.105 0.000 2.476 462 W HA -0.036 4.624 4.660 0.000 0.000 0.281 462 W C 2.303 178.855 176.519 0.054 0.000 1.230 462 W CA 0.573 57.893 57.345 -0.042 0.000 1.287 462 W CB -1.307 28.119 29.460 -0.057 0.000 1.108 462 W HN 0.289 nan 8.180 nan 0.000 0.567 463 Y N 1.662 121.601 120.300 -0.602 0.000 2.040 463 Y HA -0.371 4.179 4.550 0.000 0.000 0.275 463 Y C 3.062 178.785 175.900 -0.296 0.000 1.171 463 Y CA 1.867 59.617 58.100 -0.584 0.000 1.123 463 Y CB -0.682 37.394 38.460 -0.639 0.000 0.963 463 Y HN -0.110 nan 8.280 nan 0.000 0.493 464 R N 0.976 121.466 120.500 -0.017 0.000 2.103 464 R HA -0.189 4.151 4.340 0.000 0.000 0.242 464 R C 2.162 178.547 176.300 0.141 0.000 1.142 464 R CA 1.903 58.009 56.100 0.009 0.000 0.960 464 R CB -1.045 29.288 30.300 0.055 0.000 0.858 464 R HN 0.416 nan 8.270 nan 0.000 0.439 465 V N -1.698 118.369 119.914 0.255 0.000 2.307 465 V HA -0.153 3.967 4.120 0.000 0.000 0.245 465 V C 2.169 178.441 176.094 0.297 0.000 1.045 465 V CA 1.921 64.444 62.300 0.371 0.000 1.024 465 V CB -0.667 31.315 31.823 0.265 0.000 0.651 465 V HN 0.291 nan 8.190 nan 0.000 0.449 466 I N 0.116 120.835 120.570 0.250 0.000 2.151 466 I HA -0.328 3.842 4.170 0.000 0.000 0.243 466 I C 2.942 179.184 176.117 0.207 0.000 1.080 466 I CA 2.455 63.914 61.300 0.265 0.000 1.339 466 I CB -0.429 37.652 38.000 0.135 0.000 1.039 466 I HN 0.423 nan 8.210 nan 0.000 0.409 467 Q N 0.775 120.545 119.800 -0.050 0.000 1.998 467 Q HA -0.265 4.075 4.340 0.000 0.000 0.209 467 Q C 2.273 178.346 176.000 0.121 0.000 1.002 467 Q CA 2.353 58.062 55.803 -0.157 0.000 0.858 467 Q CB -0.168 28.312 28.738 -0.430 0.000 0.932 467 Q HN 0.481 nan 8.270 nan 0.000 0.416 468 I N -0.457 120.188 120.570 0.125 0.000 2.226 468 I HA -0.272 3.898 4.170 0.000 0.000 0.245 468 I C 2.151 178.397 176.117 0.214 0.000 1.100 468 I CA 0.757 62.149 61.300 0.153 0.000 1.374 468 I CB -0.176 37.888 38.000 0.107 0.000 1.057 468 I HN 0.137 nan 8.210 nan 0.000 0.413 469 V N 0.894 120.976 119.914 0.279 0.000 2.490 469 V HA -0.275 3.845 4.120 0.000 0.000 0.250 469 V C 2.234 178.464 176.094 0.226 0.000 1.061 469 V CA 1.783 64.233 62.300 0.250 0.000 1.064 469 V CB -0.323 31.695 31.823 0.324 0.000 0.670 469 V HN 0.337 nan 8.190 nan 0.000 0.461 470 I N 0.062 120.866 120.570 0.390 0.000 2.353 470 I HA -0.159 4.011 4.170 0.000 0.000 0.248 470 I C 2.263 178.541 176.117 0.269 0.000 1.119 470 I CA 1.080 62.660 61.300 0.466 0.000 1.417 470 I CB -0.291 38.035 38.000 0.544 0.000 1.078 470 I HN 0.353 nan 8.210 nan 0.000 0.421 471 N N 0.824 119.648 118.700 0.207 0.000 2.051 471 N HA -0.035 4.705 4.740 0.000 0.000 0.192 471 N C 0.474 176.015 175.510 0.052 0.000 1.049 471 N CA 0.980 54.102 53.050 0.120 0.000 0.845 471 N CB -0.223 38.321 38.487 0.095 0.000 1.031 471 N HN 0.106 nan 8.380 nan 0.000 0.425 472 R N 1.801 122.315 120.500 0.024 0.000 2.442 472 R HA 0.037 4.377 4.340 0.000 0.000 0.291 472 R C 0.426 176.709 176.300 -0.030 0.000 1.069 472 R CA -0.006 56.074 56.100 -0.033 0.000 1.022 472 R CB 0.663 30.920 30.300 -0.071 0.000 0.976 472 R HN 0.267 nan 8.270 nan 0.000 0.443 473 D N 1.516 121.893 120.400 -0.040 0.000 2.277 473 D HA -0.121 4.519 4.640 0.000 0.000 0.209 473 D C 0.871 177.145 176.300 -0.044 0.000 0.970 473 D CA 0.646 54.611 54.000 -0.058 0.000 0.874 473 D CB 0.233 41.016 40.800 -0.029 0.000 0.982 473 D HN 0.602 nan 8.370 nan 0.000 0.504 474 D N 0.803 121.192 120.400 -0.018 0.000 2.411 474 D HA -0.125 4.516 4.640 0.000 0.000 0.226 474 D C 1.493 177.821 176.300 0.046 0.000 0.988 474 D CA 0.790 54.795 54.000 0.008 0.000 0.938 474 D CB 0.042 40.844 40.800 0.003 0.000 0.883 474 D HN 0.295 nan 8.370 nan 0.000 0.525 475 V N -4.730 115.213 119.914 0.049 0.000 3.485 475 V HA 0.123 4.244 4.120 0.000 0.000 0.280 475 V C 2.202 178.335 176.094 0.065 0.000 1.495 475 V CA -0.227 62.152 62.300 0.133 0.000 1.018 475 V CB -0.127 31.830 31.823 0.223 0.000 0.818 475 V HN -0.103 nan 8.190 nan 0.000 0.436 476 Q N 2.023 121.740 119.800 -0.137 0.000 2.112 476 Q HA -0.082 4.258 4.340 0.000 0.000 0.206 476 Q C 2.253 178.184 176.000 -0.115 0.000 0.987 476 Q CA 2.493 58.054 55.803 -0.403 0.000 0.858 476 Q CB -0.518 27.682 28.738 -0.896 0.000 0.905 476 Q HN 0.761 nan 8.270 nan 0.000 0.420 477 G N 0.023 108.817 108.800 -0.010 0.000 2.433 477 G HA2 -0.317 3.643 3.960 0.000 0.000 0.216 477 G HA3 -0.317 3.643 3.960 0.000 0.000 0.216 477 G C 1.194 176.162 174.900 0.113 0.000 1.186 477 G CA 0.873 46.014 45.100 0.068 0.000 0.779 477 G HN 0.414 nan 8.290 nan 0.000 0.543 478 Y N 2.138 122.463 120.300 0.043 0.000 2.207 478 Y HA -0.044 4.506 4.550 0.000 0.000 0.287 478 Y C 2.845 178.800 175.900 0.092 0.000 1.156 478 Y CA 1.441 59.583 58.100 0.070 0.000 1.182 478 Y CB -0.315 38.191 38.460 0.078 0.000 0.979 478 Y HN 0.249 nan 8.280 nan 0.000 0.521 479 A N 0.254 123.108 122.820 0.057 0.000 1.929 479 A HA -0.007 4.313 4.320 0.000 0.000 0.216 479 A C 2.403 180.010 177.584 0.038 0.000 1.176 479 A CA 1.555 53.603 52.037 0.019 0.000 0.628 479 A CB -1.367 17.729 19.000 0.160 0.000 0.816 479 A HN 0.587 nan 8.150 nan 0.000 0.444 480 A N -0.256 122.623 122.820 0.099 0.000 1.898 480 A HA -0.108 4.212 4.320 0.000 0.000 0.216 480 A C 2.127 179.772 177.584 0.102 0.000 1.181 480 A CA 1.818 53.949 52.037 0.158 0.000 0.620 480 A CB -0.417 18.701 19.000 0.196 0.000 0.819 480 A HN 0.511 nan 8.150 nan 0.000 0.442 481 K N -0.811 119.602 120.400 0.023 0.000 1.991 481 K HA -0.148 4.172 4.320 0.000 0.000 0.212 481 K C 2.133 178.739 176.600 0.009 0.000 1.049 481 K CA 2.010 58.303 56.287 0.010 0.000 0.932 481 K CB -0.427 32.059 32.500 -0.023 0.000 0.717 481 K HN 0.444 nan 8.250 nan 0.000 0.441 482 T N 1.004 115.440 114.554 -0.196 0.000 2.652 482 T HA -0.149 4.201 4.350 0.000 0.000 0.267 482 T C 1.892 176.560 174.700 -0.054 0.000 1.039 482 T CA 1.455 63.420 62.100 -0.225 0.000 1.153 482 T CB -0.346 68.204 68.868 -0.529 0.000 0.863 482 T HN 0.010 nan 8.240 nan 0.000 0.428 483 V N 1.074 120.984 119.914 -0.008 0.000 2.317 483 V HA -0.212 3.908 4.120 0.000 0.000 0.251 483 V C 2.020 178.175 176.094 0.101 0.000 1.065 483 V CA 1.959 64.294 62.300 0.058 0.000 1.049 483 V CB -0.662 31.230 31.823 0.115 0.000 0.651 483 V HN 0.497 nan 8.190 nan 0.000 0.450 484 F N 0.852 120.807 119.950 0.008 0.000 2.216 484 F HA -0.163 4.364 4.527 0.000 0.000 0.300 484 F C 2.265 178.068 175.800 0.006 0.000 1.085 484 F CA 2.096 60.110 58.000 0.023 0.000 1.326 484 F CB -0.082 38.934 39.000 0.028 0.000 1.027 484 F HN 0.293 nan 8.300 nan 0.000 0.497 485 E N -0.237 119.983 120.200 0.034 0.000 2.122 485 E HA -0.023 4.327 4.350 0.000 0.000 0.190 485 E C 2.338 178.885 176.600 -0.088 0.000 0.977 485 E CA 0.712 57.084 56.400 -0.047 0.000 0.820 485 E CB -0.342 29.383 29.700 0.041 0.000 0.770 485 E HN 0.410 nan 8.360 nan 0.000 0.462 486 A N 1.239 124.023 122.820 -0.059 0.000 2.015 486 A HA -0.091 4.229 4.320 0.000 0.000 0.219 486 A C 2.061 179.594 177.584 -0.084 0.000 1.163 486 A CA 0.793 52.795 52.037 -0.058 0.000 0.646 486 A CB -0.436 18.539 19.000 -0.041 0.000 0.806 486 A HN 0.151 nan 8.150 nan 0.000 0.448 487 L N -0.441 120.712 121.223 -0.117 0.000 2.552 487 L HA -0.093 4.247 4.340 0.000 0.000 0.227 487 L C 2.232 178.994 176.870 -0.181 0.000 1.146 487 L CA 0.349 55.107 54.840 -0.136 0.000 0.858 487 L CB -0.173 41.803 42.059 -0.139 0.000 0.969 487 L HN 0.408 nan 8.230 nan 0.000 0.451 488 Q N 0.111 119.787 119.800 -0.208 0.000 2.311 488 Q HA 0.117 4.457 4.340 0.000 0.000 0.203 488 Q C 1.006 176.938 176.000 -0.113 0.000 0.954 488 Q CA 0.394 56.079 55.803 -0.197 0.000 0.885 488 Q CB -0.044 28.572 28.738 -0.203 0.000 0.963 488 Q HN 0.398 nan 8.270 nan 0.000 0.471 489 A N 2.267 125.034 122.820 -0.088 0.000 2.498 489 A HA 0.182 4.502 4.320 0.000 0.000 0.239 489 A C -1.461 176.091 177.584 -0.054 0.000 1.068 489 A CA -0.861 51.141 52.037 -0.059 0.000 0.766 489 A CB 0.128 19.100 19.000 -0.046 0.000 1.003 489 A HN 0.017 nan 8.150 nan 0.000 0.497 490 P HA 0.065 nan 4.420 nan 0.000 0.226 490 P C 1.285 178.567 177.300 -0.030 0.000 1.161 490 P CA 1.405 64.484 63.100 -0.035 0.000 0.804 490 P CB 0.303 31.987 31.700 -0.027 0.000 0.829 491 A N 0.412 123.217 122.820 -0.024 0.000 1.849 491 A HA 0.098 4.419 4.320 0.000 0.000 0.214 491 A C 0.738 178.313 177.584 -0.015 0.000 1.269 491 A CA 1.000 53.028 52.037 -0.016 0.000 0.605 491 A CB -1.356 17.638 19.000 -0.009 0.000 0.937 491 A HN 0.466 nan 8.150 nan 0.000 0.461 492 C N -0.074 119.218 119.300 -0.013 0.000 0.609 492 C HA -0.179 4.281 4.460 0.000 0.000 0.112 492 C C 0.444 175.448 174.990 0.024 0.000 0.379 492 C CA -0.080 58.932 59.018 -0.009 0.000 1.790 492 C CB -2.771 24.946 27.740 -0.038 0.000 2.997 492 C HN 0.897 nan 8.230 nan 0.000 0.985 493 H N 2.169 121.186 119.070 -0.088 0.000 2.871 493 H HA 0.030 4.586 4.556 0.000 0.000 0.377 493 H C 1.192 176.442 175.328 -0.131 0.000 1.307 493 H CA 1.006 56.990 56.048 -0.105 0.000 1.449 493 H CB 0.499 30.194 29.762 -0.112 0.000 1.452 493 H HN 0.943 nan 8.280 nan 0.000 0.619 494 E N 1.442 121.240 120.200 -0.671 0.000 2.152 494 E HA -0.177 4.173 4.350 0.000 0.000 0.192 494 E C 1.392 177.670 176.600 -0.536 0.000 0.983 494 E CA 0.853 56.937 56.400 -0.527 0.000 0.818 494 E CB 0.113 29.506 29.700 -0.512 0.000 0.758 494 E HN 0.552 nan 8.360 nan 0.000 0.467 495 N N 0.469 118.772 118.700 -0.662 0.000 2.272 495 N HA -0.163 4.577 4.740 0.000 0.000 0.185 495 N C 1.635 176.869 175.510 -0.460 0.000 1.014 495 N CA 0.599 53.293 53.050 -0.593 0.000 0.870 495 N CB -0.179 38.062 38.487 -0.411 0.000 0.975 495 N HN 0.219 nan 8.380 nan 0.000 0.433 496 L N 0.259 121.323 121.223 -0.265 0.000 2.027 496 L HA -0.091 4.249 4.340 0.000 0.000 0.206 496 L C 1.925 178.687 176.870 -0.179 0.000 1.074 496 L CA 1.015 55.751 54.840 -0.174 0.000 0.745 496 L CB -0.342 41.659 42.059 -0.096 0.000 0.898 496 L HN -0.096 nan 8.230 nan 0.000 0.433 497 V N -0.397 119.402 119.914 -0.192 0.000 2.453 497 V HA -0.349 3.771 4.120 0.000 0.000 0.252 497 V C 2.516 178.504 176.094 -0.176 0.000 1.068 497 V CA 2.033 64.242 62.300 -0.151 0.000 1.070 497 V CB -0.757 30.977 31.823 -0.148 0.000 0.664 497 V HN 0.439 nan 8.190 nan 0.000 0.461 498 K N -0.310 119.887 120.400 -0.339 0.000 1.984 498 K HA -0.109 4.212 4.320 0.000 0.000 0.209 498 K C 2.119 178.566 176.600 -0.254 0.000 1.046 498 K CA 1.465 57.497 56.287 -0.425 0.000 0.934 498 K CB -0.515 31.383 32.500 -1.003 0.000 0.717 498 K HN 0.270 nan 8.250 nan 0.000 0.438 499 V N 0.940 120.666 119.914 -0.314 0.000 2.287 499 V HA -0.245 3.875 4.120 0.000 0.000 0.248 499 V C 2.298 178.471 176.094 0.131 0.000 1.053 499 V CA 2.287 64.596 62.300 0.015 0.000 1.027 499 V CB -1.016 30.815 31.823 0.013 0.000 0.646 499 V HN 0.586 nan 8.190 nan 0.000 0.447 500 G N -0.193 108.641 108.800 0.057 0.000 2.433 500 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 500 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 500 G C 1.657 176.647 174.900 0.151 0.000 1.186 500 G CA 0.933 46.098 45.100 0.108 0.000 0.779 500 G HN 0.589 nan 8.290 nan 0.000 0.543 501 G N -0.273 108.593 108.800 0.110 0.000 2.440 501 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 501 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 501 G C 1.652 176.627 174.900 0.125 0.000 1.154 501 G CA 1.193 46.359 45.100 0.111 0.000 0.767 501 G HN 0.423 nan 8.290 nan 0.000 0.552 502 Y N 1.060 121.409 120.300 0.081 0.000 2.097 502 Y HA -0.089 4.461 4.550 0.000 0.000 0.282 502 Y C 2.658 178.618 175.900 0.100 0.000 1.152 502 Y CA 1.572 59.732 58.100 0.101 0.000 1.136 502 Y CB -0.253 38.313 38.460 0.176 0.000 0.975 502 Y HN 0.165 nan 8.280 nan 0.000 0.498 503 I N -0.203 120.536 120.570 0.282 0.000 2.335 503 I HA -0.340 3.830 4.170 0.000 0.000 0.251 503 I C 1.979 178.223 176.117 0.212 0.000 1.129 503 I CA 1.298 62.779 61.300 0.302 0.000 1.402 503 I CB -0.265 37.974 38.000 0.399 0.000 1.069 503 I HN 0.290 nan 8.210 nan 0.000 0.424 504 L N -0.521 120.823 121.223 0.202 0.000 2.341 504 L HA 0.060 4.400 4.340 0.000 0.000 0.214 504 L C 2.522 179.590 176.870 0.330 0.000 1.115 504 L CA 0.762 55.784 54.840 0.303 0.000 0.820 504 L CB -0.828 41.491 42.059 0.433 0.000 0.944 504 L HN 0.256 nan 8.230 nan 0.000 0.452 505 G N -0.445 108.385 108.800 0.050 0.000 2.421 505 G HA2 -0.162 3.798 3.960 0.000 0.000 0.217 505 G HA3 -0.162 3.798 3.960 0.000 0.000 0.217 505 G C 1.528 176.306 174.900 -0.203 0.000 1.143 505 G CA 0.284 45.354 45.100 -0.050 0.000 0.784 505 G HN 0.179 nan 8.290 nan 0.000 0.541 506 E N 0.092 119.990 120.200 -0.503 0.000 2.024 506 E HA 0.139 4.489 4.350 0.000 0.000 0.190 506 E C 0.812 177.007 176.600 -0.675 0.000 0.974 506 E CA 0.328 56.238 56.400 -0.817 0.000 0.810 506 E CB -0.160 28.631 29.700 -1.516 0.000 0.775 506 E HN 0.422 nan 8.360 nan 0.000 0.453 507 F N -1.139 118.841 119.950 0.049 0.000 2.355 507 F HA 0.495 5.022 4.527 0.000 0.000 0.340 507 F C 1.756 177.634 175.800 0.129 0.000 1.067 507 F CA -0.148 57.903 58.000 0.084 0.000 1.116 507 F CB 0.351 39.410 39.000 0.098 0.000 1.582 507 F HN 0.233 nan 8.300 nan 0.000 0.512 508 G N 0.318 109.307 108.800 0.315 0.000 2.258 508 G HA2 -0.403 3.558 3.960 0.000 0.000 0.233 508 G HA3 -0.403 3.558 3.960 0.000 0.000 0.233 508 G C 0.896 175.918 174.900 0.204 0.000 1.006 508 G CA 0.628 45.862 45.100 0.223 0.000 0.620 508 G HN 0.885 nan 8.290 nan 0.000 0.511 509 N N 0.868 119.742 118.700 0.290 0.000 2.364 509 N HA 0.079 4.819 4.740 0.000 0.000 0.183 509 N C 1.789 177.404 175.510 0.176 0.000 1.022 509 N CA 1.788 55.068 53.050 0.382 0.000 0.883 509 N CB -0.310 38.299 38.487 0.205 0.000 0.965 509 N HN 0.821 nan 8.380 nan 0.000 0.438 510 L N -2.198 119.113 121.223 0.146 0.000 2.728 510 L HA 0.450 4.790 4.340 0.000 0.000 0.235 510 L C 0.650 177.546 176.870 0.044 0.000 1.197 510 L CA 0.364 55.261 54.840 0.095 0.000 0.992 510 L CB -0.454 41.673 42.059 0.114 0.000 1.263 510 L HN 0.303 nan 8.230 nan 0.000 0.484 511 I N -0.357 120.212 120.570 -0.001 0.000 4.453 511 I HA 0.289 4.459 4.170 0.000 0.000 0.342 511 I C 1.270 177.284 176.117 -0.171 0.000 1.341 511 I CA 0.363 61.615 61.300 -0.080 0.000 1.217 511 I CB 0.738 38.682 38.000 -0.094 0.000 1.545 511 I HN 0.271 nan 8.210 nan 0.000 0.557 512 A N 0.054 122.775 122.820 -0.165 0.000 2.337 512 A HA 0.397 4.717 4.320 0.000 0.000 0.227 512 A C 1.841 179.297 177.584 -0.213 0.000 1.259 512 A CA 0.702 52.566 52.037 -0.287 0.000 0.870 512 A CB -0.491 18.207 19.000 -0.503 0.000 0.927 512 A HN 0.406 nan 8.150 nan 0.000 0.497 513 G N -0.195 108.528 108.800 -0.128 0.000 2.454 513 G HA2 -0.089 3.871 3.960 0.000 0.000 0.214 513 G HA3 -0.089 3.871 3.960 0.000 0.000 0.214 513 G C 0.505 175.346 174.900 -0.100 0.000 1.217 513 G CA 0.595 45.639 45.100 -0.093 0.000 0.799 513 G HN 0.453 nan 8.290 nan 0.000 0.538 514 D N 1.109 121.451 120.400 -0.096 0.000 2.533 514 D HA 0.123 4.763 4.640 0.000 0.000 0.236 514 D C -1.477 174.749 176.300 -0.122 0.000 1.137 514 D CA -1.577 52.368 54.000 -0.092 0.000 0.867 514 D CB 1.649 42.397 40.800 -0.086 0.000 1.170 514 D HN 0.037 nan 8.370 nan 0.000 0.474 515 P HA 0.046 nan 4.420 nan 0.000 0.245 515 P C 1.281 178.541 177.300 -0.066 0.000 1.206 515 P CA -0.088 62.959 63.100 -0.088 0.000 0.781 515 P CB 0.298 31.963 31.700 -0.057 0.000 0.994 516 R N 1.043 121.510 120.500 -0.056 0.000 2.174 516 R HA -0.110 4.231 4.340 0.000 0.000 0.253 516 R C 0.688 176.959 176.300 -0.049 0.000 1.165 516 R CA 1.992 58.082 56.100 -0.016 0.000 0.984 516 R CB -0.750 29.538 30.300 -0.018 0.000 0.873 516 R HN 0.293 nan 8.270 nan 0.000 0.456 517 S N -1.384 114.172 115.700 -0.240 0.000 2.701 517 S HA 0.100 4.571 4.470 0.000 0.000 0.228 517 S C -0.159 174.210 174.600 -0.386 0.000 0.948 517 S CA -0.419 57.452 58.200 -0.548 0.000 1.129 517 S CB 0.356 62.806 63.200 -1.251 0.000 1.352 517 S HN 0.190 nan 8.310 nan 0.000 0.446 518 S N 3.003 118.565 115.700 -0.230 0.000 2.553 518 S HA 0.131 4.601 4.470 0.000 0.000 0.293 518 S C -0.529 173.868 174.600 -0.337 0.000 1.296 518 S CA -0.141 57.907 58.200 -0.253 0.000 1.046 518 S CB 0.423 63.530 63.200 -0.154 0.000 0.810 518 S HN 0.343 nan 8.310 nan 0.000 0.505 519 P HA -0.205 nan 4.420 nan 0.000 0.214 519 P C 1.775 178.892 177.300 -0.304 0.000 1.169 519 P CA 1.234 63.845 63.100 -0.814 0.000 0.908 519 P CB -0.185 30.811 31.700 -1.174 0.000 0.791 520 L N -1.150 119.966 121.223 -0.178 0.000 2.127 520 L HA -0.150 4.190 4.340 0.000 0.000 0.211 520 L C 2.356 179.286 176.870 0.100 0.000 1.089 520 L CA 1.813 56.655 54.840 0.003 0.000 0.757 520 L CB -1.163 40.885 42.059 -0.018 0.000 0.899 520 L HN -0.179 nan 8.230 nan 0.000 0.434 521 I N -0.277 120.320 120.570 0.045 0.000 2.286 521 I HA -0.265 3.905 4.170 0.000 0.000 0.248 521 I C 2.525 178.786 176.117 0.240 0.000 1.115 521 I CA 1.399 62.775 61.300 0.126 0.000 1.392 521 I CB -1.200 36.867 38.000 0.112 0.000 1.065 521 I HN 0.526 nan 8.210 nan 0.000 0.418 522 Q N -0.669 119.279 119.800 0.247 0.000 2.049 522 Q HA -0.213 4.127 4.340 0.000 0.000 0.198 522 Q C 2.306 178.565 176.000 0.433 0.000 0.971 522 Q CA 1.416 57.469 55.803 0.417 0.000 0.833 522 Q CB -0.474 28.473 28.738 0.348 0.000 0.896 522 Q HN 0.425 nan 8.270 nan 0.000 0.434 523 F N 2.776 122.917 119.950 0.319 0.000 2.095 523 F HA -0.213 4.314 4.527 0.000 0.000 0.298 523 F C 1.751 177.601 175.800 0.083 0.000 1.104 523 F CA 1.397 59.525 58.000 0.213 0.000 1.232 523 F CB -0.237 38.843 39.000 0.134 0.000 0.987 523 F HN 0.007 nan 8.300 nan 0.000 0.475 524 N N 0.889 119.611 118.700 0.036 0.000 2.205 524 N HA -0.188 4.552 4.740 0.000 0.000 0.186 524 N C 1.913 177.392 175.510 -0.052 0.000 1.015 524 N CA 1.529 54.536 53.050 -0.071 0.000 0.862 524 N CB -0.714 37.817 38.487 0.073 0.000 0.986 524 N HN 0.405 nan 8.380 nan 0.000 0.429 525 L N 0.893 122.137 121.223 0.035 0.000 2.056 525 L HA -0.000 4.340 4.340 0.000 0.000 0.207 525 L C 1.971 178.842 176.870 0.003 0.000 1.078 525 L CA 1.289 56.138 54.840 0.016 0.000 0.749 525 L CB -0.525 41.552 42.059 0.031 0.000 0.901 525 L HN 0.074 nan 8.230 nan 0.000 0.433 526 L N -1.190 120.052 121.223 0.033 0.000 2.044 526 L HA -0.205 4.135 4.340 0.000 0.000 0.205 526 L C 2.653 179.564 176.870 0.068 0.000 1.075 526 L CA 1.446 56.331 54.840 0.075 0.000 0.747 526 L CB -0.925 41.238 42.059 0.173 0.000 0.903 526 L HN 0.436 nan 8.230 nan 0.000 0.435 527 H N -0.231 118.699 119.070 -0.234 0.000 2.518 527 H HA -0.142 4.414 4.556 0.000 0.000 0.292 527 H C 2.321 177.621 175.328 -0.045 0.000 1.068 527 H CA 1.312 57.229 56.048 -0.218 0.000 1.275 527 H CB 0.453 29.785 29.762 -0.716 0.000 1.375 527 H HN 0.390 nan 8.280 nan 0.000 0.563 528 S N 0.115 115.779 115.700 -0.061 0.000 2.428 528 S HA -0.040 4.430 4.470 0.000 0.000 0.230 528 S C 1.740 176.317 174.600 -0.039 0.000 1.014 528 S CA 0.407 58.575 58.200 -0.053 0.000 0.957 528 S CB 0.043 63.226 63.200 -0.029 0.000 0.784 528 S HN 0.372 nan 8.310 nan 0.000 0.499 529 K N -0.300 120.089 120.400 -0.019 0.000 2.400 529 K HA 0.164 4.484 4.320 0.000 0.000 0.194 529 K C 1.436 178.021 176.600 -0.026 0.000 1.033 529 K CA 0.227 56.498 56.287 -0.025 0.000 1.021 529 K CB -0.232 32.249 32.500 -0.031 0.000 0.808 529 K HN 0.442 nan 8.250 nan 0.000 0.505 530 F N 2.126 121.960 119.950 -0.192 0.000 2.039 530 F HA -0.141 4.386 4.527 0.000 0.000 0.294 530 F C 1.500 177.142 175.800 -0.264 0.000 1.130 530 F CA 1.402 59.246 58.000 -0.259 0.000 1.189 530 F CB -0.080 38.700 39.000 -0.368 0.000 0.983 530 F HN 0.104 nan 8.300 nan 0.000 0.471 531 H N 3.254 122.344 119.070 0.033 0.000 3.775 531 H HA 0.213 4.769 4.556 0.000 0.000 0.200 531 H C 0.342 175.616 175.328 -0.090 0.000 1.655 531 H CA 1.047 57.075 56.048 -0.034 0.000 1.359 531 H CB -0.997 28.780 29.762 0.025 0.000 1.643 531 H HN 0.512 nan 8.280 nan 0.000 0.706 532 L N -2.558 118.628 121.223 -0.062 0.000 4.413 532 L HA 0.141 4.481 4.340 0.000 0.000 0.481 532 L C -1.344 175.451 176.870 -0.125 0.000 0.977 532 L CA -0.180 54.619 54.840 -0.069 0.000 1.758 532 L CB -0.947 41.092 42.059 -0.033 0.000 1.485 532 L HN 0.073 nan 8.230 nan 0.000 0.535 533 C N 1.404 120.579 119.300 -0.208 0.000 2.470 533 C HA 0.741 5.201 4.460 0.000 0.000 0.341 533 C C 1.481 176.335 174.990 -0.227 0.000 1.190 533 C CA 0.347 59.230 59.018 -0.225 0.000 1.904 533 C CB 1.898 29.477 27.740 -0.269 0.000 2.354 533 C HN 0.706 nan 8.230 nan 0.000 0.509 534 S N 1.202 116.791 115.700 -0.185 0.000 2.572 534 S HA 0.083 4.553 4.470 0.000 0.000 0.267 534 S C 0.999 175.493 174.600 -0.177 0.000 1.361 534 S CA -0.209 57.901 58.200 -0.150 0.000 1.009 534 S CB 0.352 63.483 63.200 -0.115 0.000 0.888 534 S HN 0.552 nan 8.310 nan 0.000 0.553 535 V N 2.690 122.524 119.914 -0.133 0.000 2.287 535 V HA -0.080 4.040 4.120 0.000 0.000 0.248 535 V C -0.558 175.471 176.094 -0.109 0.000 1.053 535 V CA 2.067 64.289 62.300 -0.131 0.000 1.027 535 V CB -1.879 29.897 31.823 -0.080 0.000 0.646 535 V HN 0.766 nan 8.190 nan 0.000 0.447 536 P HA -0.141 nan 4.420 nan 0.000 0.216 536 P C 1.750 179.033 177.300 -0.029 0.000 1.150 536 P CA 1.833 64.925 63.100 -0.013 0.000 0.843 536 P CB -0.186 31.530 31.700 0.028 0.000 0.787 537 T N -1.114 113.384 114.554 -0.095 0.000 2.770 537 T HA -0.052 4.298 4.350 0.000 0.000 0.263 537 T C 1.804 176.411 174.700 -0.154 0.000 1.039 537 T CA 0.960 62.985 62.100 -0.125 0.000 1.142 537 T CB -0.453 68.304 68.868 -0.185 0.000 0.868 537 T HN 0.131 nan 8.240 nan 0.000 0.435 538 R N 1.019 121.352 120.500 -0.278 0.000 2.105 538 R HA -0.023 4.317 4.340 0.000 0.000 0.239 538 R C 2.775 179.031 176.300 -0.074 0.000 1.135 538 R CA 1.268 57.134 56.100 -0.390 0.000 0.967 538 R CB -0.482 29.369 30.300 -0.748 0.000 0.861 538 R HN 0.368 nan 8.270 nan 0.000 0.442 539 A N 1.554 124.338 122.820 -0.061 0.000 1.845 539 A HA -0.180 4.141 4.320 0.000 0.000 0.215 539 A C 2.057 179.660 177.584 0.031 0.000 1.195 539 A CA 1.151 53.186 52.037 -0.004 0.000 0.616 539 A CB -0.693 18.307 19.000 0.000 0.000 0.832 539 A HN 0.236 nan 8.150 nan 0.000 0.443 540 L N -0.567 120.681 121.223 0.042 0.000 2.021 540 L HA -0.184 4.156 4.340 0.000 0.000 0.215 540 L C 2.197 179.086 176.870 0.032 0.000 1.074 540 L CA 1.940 56.831 54.840 0.085 0.000 0.760 540 L CB -1.219 40.904 42.059 0.106 0.000 0.889 540 L HN 0.278 nan 8.230 nan 0.000 0.433 541 L N -0.781 120.422 121.223 -0.033 0.000 2.012 541 L HA -0.217 4.123 4.340 0.000 0.000 0.210 541 L C 2.657 179.247 176.870 -0.466 0.000 1.073 541 L CA 1.663 56.406 54.840 -0.163 0.000 0.748 541 L CB -1.160 40.877 42.059 -0.037 0.000 0.891 541 L HN 0.274 nan 8.230 nan 0.000 0.431 542 L N -1.513 119.514 121.223 -0.326 0.000 2.013 542 L HA -0.297 4.043 4.340 0.000 0.000 0.212 542 L C 2.567 179.546 176.870 0.182 0.000 1.073 542 L CA 1.490 56.224 54.840 -0.176 0.000 0.753 542 L CB -0.737 41.336 42.059 0.022 0.000 0.890 542 L HN 0.232 nan 8.230 nan 0.000 0.432 543 S N -0.970 114.879 115.700 0.247 0.000 2.383 543 S HA -0.195 4.275 4.470 0.000 0.000 0.229 543 S C 1.980 176.548 174.600 -0.054 0.000 1.030 543 S CA 1.851 60.156 58.200 0.174 0.000 1.002 543 S CB -0.240 63.064 63.200 0.173 0.000 0.829 543 S HN 0.467 nan 8.310 nan 0.000 0.467 544 T N 0.921 115.438 114.554 -0.062 0.000 2.708 544 T HA -0.074 4.276 4.350 0.000 0.000 0.266 544 T C 1.410 175.981 174.700 -0.214 0.000 1.037 544 T CA 1.207 63.205 62.100 -0.171 0.000 1.146 544 T CB -0.497 68.278 68.868 -0.155 0.000 0.865 544 T HN 0.546 nan 8.240 nan 0.000 0.435 545 Y N 0.046 120.198 120.300 -0.247 0.000 2.151 545 Y HA -0.162 4.388 4.550 0.000 0.000 0.284 545 Y C 2.450 178.279 175.900 -0.117 0.000 1.166 545 Y CA 0.290 58.300 58.100 -0.150 0.000 1.163 545 Y CB -0.189 38.291 38.460 0.034 0.000 0.974 545 Y HN 0.157 nan 8.280 nan 0.000 0.511 546 I N 0.465 121.024 120.570 -0.019 0.000 2.584 546 I HA -0.180 3.990 4.170 0.000 0.000 0.255 546 I C 1.902 177.923 176.117 -0.160 0.000 1.145 546 I CA 1.264 62.462 61.300 -0.171 0.000 1.462 546 I CB -0.332 37.317 38.000 -0.586 0.000 1.102 546 I HN -0.037 nan 8.210 nan 0.000 0.433 547 K N -0.389 119.916 120.400 -0.159 0.000 2.211 547 K HA -0.168 4.152 4.320 0.000 0.000 0.204 547 K C 1.932 178.552 176.600 0.034 0.000 1.047 547 K CA 1.189 57.416 56.287 -0.101 0.000 0.935 547 K CB -0.270 32.165 32.500 -0.110 0.000 0.728 547 K HN 0.232 nan 8.250 nan 0.000 0.452 548 F N 0.655 120.511 119.950 -0.156 0.000 2.163 548 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 548 F C 2.302 177.985 175.800 -0.195 0.000 1.094 548 F CA 0.307 58.206 58.000 -0.168 0.000 1.290 548 F CB -0.942 38.094 39.000 0.061 0.000 1.017 548 F HN -0.278 nan 8.300 nan 0.000 0.483 549 V N 0.292 120.236 119.914 0.050 0.000 2.469 549 V HA -0.326 3.795 4.120 0.000 0.000 0.251 549 V C 2.220 178.266 176.094 -0.081 0.000 1.064 549 V CA 2.003 64.284 62.300 -0.031 0.000 1.066 549 V CB -0.966 30.831 31.823 -0.044 0.000 0.667 549 V HN 0.446 nan 8.190 nan 0.000 0.461 550 N N 0.014 118.641 118.700 -0.121 0.000 2.047 550 N HA -0.150 4.590 4.740 0.000 0.000 0.193 550 N C 1.865 177.242 175.510 -0.223 0.000 1.055 550 N CA 1.246 54.204 53.050 -0.152 0.000 0.847 550 N CB -0.064 38.327 38.487 -0.159 0.000 1.038 550 N HN 0.252 nan 8.380 nan 0.000 0.427 551 L N 0.338 121.313 121.223 -0.413 0.000 2.043 551 L HA -0.084 4.256 4.340 0.000 0.000 0.212 551 L C 0.212 176.736 176.870 -0.578 0.000 1.075 551 L CA 1.568 55.971 54.840 -0.728 0.000 0.752 551 L CB -0.605 40.561 42.059 -1.487 0.000 0.891 551 L HN 0.215 nan 8.230 nan 0.000 0.432 552 F N -1.531 118.353 119.950 -0.111 0.000 2.686 552 F HA 0.294 4.821 4.527 -0.000 0.000 0.365 552 F C -1.652 174.084 175.800 -0.107 0.000 1.196 552 F CA -1.619 56.300 58.000 -0.135 0.000 1.198 552 F CB 0.800 39.668 39.000 -0.220 0.000 1.454 552 F HN -0.128 nan 8.300 nan 0.000 0.539 553 P HA -0.176 nan 4.420 nan 0.000 0.228 553 P C 1.338 178.636 177.300 -0.003 0.000 1.151 553 P CA 1.117 64.221 63.100 0.006 0.000 0.770 553 P CB 0.121 31.817 31.700 -0.006 0.000 0.786 554 E N -0.056 120.147 120.200 0.007 0.000 2.077 554 E HA -0.123 4.227 4.350 0.000 0.000 0.193 554 E C 1.583 178.153 176.600 -0.049 0.000 0.989 554 E CA 1.761 58.145 56.400 -0.026 0.000 0.800 554 E CB -1.106 28.569 29.700 -0.040 0.000 0.746 554 E HN 0.248 nan 8.360 nan 0.000 0.452 555 V N -0.845 119.038 119.914 -0.050 0.000 3.649 555 V HA 0.107 4.227 4.120 0.000 0.000 0.275 555 V C 2.219 178.220 176.094 -0.156 0.000 1.281 555 V CA 0.706 62.933 62.300 -0.121 0.000 1.143 555 V CB -0.369 31.366 31.823 -0.146 0.000 0.892 555 V HN 0.078 nan 8.190 nan 0.000 0.441 556 K N 1.534 121.880 120.400 -0.090 0.000 2.009 556 K HA -0.189 4.131 4.320 0.000 0.000 0.210 556 K C 2.250 178.785 176.600 -0.108 0.000 1.049 556 K CA 1.951 58.183 56.287 -0.093 0.000 0.929 556 K CB -0.591 31.876 32.500 -0.055 0.000 0.714 556 K HN 0.532 nan 8.250 nan 0.000 0.440 557 A N 0.830 123.598 122.820 -0.086 0.000 1.882 557 A HA -0.296 4.024 4.320 0.000 0.000 0.220 557 A C 2.293 179.813 177.584 -0.107 0.000 1.253 557 A CA 2.873 54.864 52.037 -0.077 0.000 0.664 557 A CB -1.539 17.424 19.000 -0.062 0.000 0.838 557 A HN 0.549 nan 8.150 nan 0.000 0.460 558 T N -0.001 114.458 114.554 -0.158 0.000 2.612 558 T HA -0.073 4.277 4.350 0.000 0.000 0.259 558 T C 1.870 176.384 174.700 -0.310 0.000 1.065 558 T CA 1.483 63.457 62.100 -0.209 0.000 1.167 558 T CB -0.483 68.233 68.868 -0.254 0.000 0.863 558 T HN 0.401 nan 8.240 nan 0.000 0.407 559 I N 1.090 121.332 120.570 -0.547 0.000 2.185 559 I HA -0.307 3.863 4.170 0.000 0.000 0.246 559 I C 2.861 178.850 176.117 -0.213 0.000 1.088 559 I CA 1.528 62.476 61.300 -0.588 0.000 1.347 559 I CB -0.521 37.131 38.000 -0.579 0.000 1.041 559 I HN 0.372 nan 8.210 nan 0.000 0.415 560 Q N 0.884 120.598 119.800 -0.144 0.000 2.133 560 Q HA -0.274 4.066 4.340 0.000 0.000 0.208 560 Q C 0.852 176.835 176.000 -0.029 0.000 0.991 560 Q CA 2.299 58.068 55.803 -0.057 0.000 0.867 560 Q CB -0.049 28.660 28.738 -0.049 0.000 0.911 560 Q HN 0.743 nan 8.270 nan 0.000 0.417 561 D N -1.883 118.491 120.400 -0.043 0.000 2.427 561 D HA 0.037 4.677 4.640 0.000 0.000 0.224 561 D C 0.892 177.193 176.300 0.001 0.000 1.157 561 D CA -0.093 53.901 54.000 -0.010 0.000 0.828 561 D CB 0.526 41.324 40.800 -0.004 0.000 0.974 561 D HN -0.004 nan 8.370 nan 0.000 0.498 562 V N 0.183 120.087 119.914 -0.017 0.000 2.599 562 V HA -0.041 4.079 4.120 0.000 0.000 0.245 562 V C 2.080 178.209 176.094 0.057 0.000 1.046 562 V CA 0.977 63.278 62.300 0.001 0.000 1.065 562 V CB -0.165 31.612 31.823 -0.077 0.000 0.703 562 V HN 0.348 nan 8.190 nan 0.000 0.464 563 L N -0.453 120.808 121.223 0.062 0.000 2.313 563 L HA -0.015 4.325 4.340 0.000 0.000 0.214 563 L C 2.492 179.404 176.870 0.069 0.000 1.119 563 L CA 1.108 56.001 54.840 0.087 0.000 0.809 563 L CB -0.506 41.617 42.059 0.106 0.000 0.933 563 L HN 0.193 nan 8.230 nan 0.000 0.449 564 R N 0.683 121.214 120.500 0.051 0.000 2.240 564 R HA -0.008 4.332 4.340 0.000 0.000 0.203 564 R C 1.046 177.377 176.300 0.051 0.000 1.011 564 R CA 0.269 56.395 56.100 0.043 0.000 1.007 564 R CB 0.254 30.571 30.300 0.028 0.000 0.911 564 R HN 0.369 nan 8.270 nan 0.000 0.468 565 S N 0.317 116.057 115.700 0.067 0.000 2.565 565 S HA 0.038 4.508 4.470 0.000 0.000 0.276 565 S C 0.612 175.263 174.600 0.085 0.000 1.326 565 S CA -0.822 57.424 58.200 0.077 0.000 1.045 565 S CB 1.285 64.544 63.200 0.099 0.000 0.918 565 S HN 0.146 nan 8.310 nan 0.000 0.505 566 D N 3.214 123.655 120.400 0.069 0.000 2.192 566 D HA -0.196 4.444 4.640 0.000 0.000 0.189 566 D C 1.968 178.322 176.300 0.090 0.000 1.007 566 D CA 2.037 56.077 54.000 0.066 0.000 0.859 566 D CB -1.033 39.797 40.800 0.050 0.000 0.936 566 D HN 0.672 nan 8.370 nan 0.000 0.447 567 S N 0.401 116.171 115.700 0.117 0.000 2.421 567 S HA -0.249 4.221 4.470 0.000 0.000 0.239 567 S C 1.931 176.655 174.600 0.207 0.000 1.054 567 S CA 1.596 59.900 58.200 0.174 0.000 1.035 567 S CB -0.147 63.208 63.200 0.257 0.000 0.840 567 S HN 0.273 nan 8.310 nan 0.000 0.475 568 Q N -0.191 119.715 119.800 0.176 0.000 2.387 568 Q HA 0.375 4.715 4.340 0.000 0.000 0.208 568 Q C 2.087 178.142 176.000 0.091 0.000 0.935 568 Q CA 0.472 56.367 55.803 0.154 0.000 0.891 568 Q CB -0.169 28.657 28.738 0.147 0.000 1.007 568 Q HN 0.388 nan 8.270 nan 0.000 0.548 569 L N 0.197 121.463 121.223 0.073 0.000 2.179 569 L HA -0.028 4.312 4.340 0.000 0.000 0.208 569 L C 1.138 178.031 176.870 0.038 0.000 1.096 569 L CA 1.061 55.928 54.840 0.045 0.000 0.779 569 L CB -0.004 42.080 42.059 0.041 0.000 0.922 569 L HN 0.093 nan 8.230 nan 0.000 0.443 570 K N -0.424 120.004 120.400 0.047 0.000 2.410 570 K HA 0.065 4.385 4.320 0.000 0.000 0.200 570 K C 0.350 176.975 176.600 0.042 0.000 1.023 570 K CA -0.352 55.958 56.287 0.038 0.000 1.149 570 K CB -0.001 32.521 32.500 0.036 0.000 0.859 570 K HN 0.107 nan 8.250 nan 0.000 0.514 571 N N 1.660 120.392 118.700 0.054 0.000 2.357 571 N HA -0.091 4.650 4.740 0.000 0.000 0.257 571 N C 0.834 176.364 175.510 0.033 0.000 1.250 571 N CA 0.191 53.276 53.050 0.058 0.000 0.862 571 N CB 1.067 39.597 38.487 0.071 0.000 1.066 571 N HN 0.200 nan 8.380 nan 0.000 0.468 572 A N 3.265 126.103 122.820 0.029 0.000 1.933 572 A HA -0.140 4.180 4.320 0.000 0.000 0.218 572 A C 0.865 178.454 177.584 0.008 0.000 1.175 572 A CA 1.012 53.059 52.037 0.016 0.000 0.628 572 A CB -0.255 18.753 19.000 0.013 0.000 0.814 572 A HN 0.764 nan 8.150 nan 0.000 0.444 573 D N -0.233 120.170 120.400 0.006 0.000 2.389 573 D HA 0.211 4.851 4.640 0.000 0.000 0.247 573 D C 1.597 177.894 176.300 -0.005 0.000 1.128 573 D CA 0.540 54.538 54.000 -0.004 0.000 0.884 573 D CB 1.477 42.269 40.800 -0.012 0.000 1.194 573 D HN 0.189 nan 8.370 nan 0.000 0.441 574 V N 2.241 122.150 119.914 -0.008 0.000 2.427 574 V HA -0.129 3.991 4.120 0.000 0.000 0.248 574 V C 1.911 177.993 176.094 -0.021 0.000 1.051 574 V CA 1.698 63.991 62.300 -0.012 0.000 1.048 574 V CB -0.579 31.237 31.823 -0.011 0.000 0.666 574 V HN 0.473 nan 8.190 nan 0.000 0.456 575 E N 0.581 120.768 120.200 -0.022 0.000 2.047 575 E HA -0.127 4.223 4.350 0.000 0.000 0.191 575 E C 1.901 178.474 176.600 -0.044 0.000 0.987 575 E CA 1.506 57.888 56.400 -0.031 0.000 0.799 575 E CB -0.507 29.180 29.700 -0.021 0.000 0.752 575 E HN 0.491 nan 8.360 nan 0.000 0.449 576 L N 0.983 122.188 121.223 -0.030 0.000 2.042 576 L HA -0.161 4.179 4.340 0.000 0.000 0.210 576 L C 2.486 179.340 176.870 -0.026 0.000 1.076 576 L CA 1.869 56.698 54.840 -0.018 0.000 0.749 576 L CB -1.075 40.991 42.059 0.012 0.000 0.893 576 L HN 0.330 nan 8.230 nan 0.000 0.432 577 Q N -1.589 118.199 119.800 -0.020 0.000 2.172 577 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 577 Q C 2.112 178.079 176.000 -0.056 0.000 0.964 577 Q CA 0.861 56.652 55.803 -0.021 0.000 0.855 577 Q CB 0.217 28.953 28.738 -0.005 0.000 0.918 577 Q HN 0.449 nan 8.270 nan 0.000 0.444 578 Q N 0.706 120.462 119.800 -0.073 0.000 1.967 578 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 578 Q C 2.069 177.946 176.000 -0.205 0.000 0.985 578 Q CA 1.595 57.336 55.803 -0.103 0.000 0.839 578 Q CB -0.315 28.370 28.738 -0.089 0.000 0.906 578 Q HN 0.230 nan 8.270 nan 0.000 0.423 579 R N 0.389 120.721 120.500 -0.280 0.000 2.119 579 R HA -0.179 4.161 4.340 0.000 0.000 0.246 579 R C 2.141 178.055 176.300 -0.644 0.000 1.146 579 R CA 1.687 57.421 56.100 -0.610 0.000 0.962 579 R CB -0.783 29.262 30.300 -0.426 0.000 0.863 579 R HN 0.354 nan 8.270 nan 0.000 0.442 580 A N -0.136 122.532 122.820 -0.254 0.000 1.828 580 A HA -0.131 4.189 4.320 0.000 0.000 0.215 580 A C 2.280 179.824 177.584 -0.066 0.000 1.203 580 A CA 1.782 53.760 52.037 -0.098 0.000 0.614 580 A CB -0.960 18.036 19.000 -0.006 0.000 0.844 580 A HN 0.107 nan 8.150 nan 0.000 0.445 581 V N 0.418 120.298 119.914 -0.057 0.000 2.370 581 V HA -0.327 3.793 4.120 0.000 0.000 0.252 581 V C 2.396 178.485 176.094 -0.008 0.000 1.068 581 V CA 2.490 64.778 62.300 -0.021 0.000 1.061 581 V CB -1.066 30.745 31.823 -0.020 0.000 0.656 581 V HN 0.632 nan 8.190 nan 0.000 0.455 582 E N -1.091 119.074 120.200 -0.058 0.000 2.072 582 E HA -0.161 4.189 4.350 0.000 0.000 0.190 582 E C 2.262 178.975 176.600 0.188 0.000 0.982 582 E CA 1.315 57.724 56.400 0.015 0.000 0.803 582 E CB -0.153 29.515 29.700 -0.054 0.000 0.755 582 E HN 0.642 nan 8.360 nan 0.000 0.453 583 Y N 0.359 120.668 120.300 0.015 0.000 2.220 583 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 583 Y C 2.220 178.128 175.900 0.013 0.000 1.129 583 Y CA 0.253 58.362 58.100 0.015 0.000 1.161 583 Y CB -0.908 37.566 38.460 0.024 0.000 0.997 583 Y HN 0.091 nan 8.280 nan 0.000 0.522 584 L N 0.606 121.939 121.223 0.184 0.000 1.989 584 L HA -0.209 4.132 4.340 0.000 0.000 0.211 584 L C 2.443 179.356 176.870 0.072 0.000 1.071 584 L CA 1.822 56.721 54.840 0.099 0.000 0.749 584 L CB -0.712 41.388 42.059 0.067 0.000 0.890 584 L HN -0.059 nan 8.230 nan 0.000 0.431 585 R N -0.296 120.245 120.500 0.069 0.000 2.091 585 R HA -0.152 4.188 4.340 0.000 0.000 0.238 585 R C 2.157 178.487 176.300 0.050 0.000 1.136 585 R CA 2.051 58.180 56.100 0.050 0.000 0.959 585 R CB -0.910 29.416 30.300 0.043 0.000 0.856 585 R HN 0.623 nan 8.270 nan 0.000 0.437 586 L N -0.772 120.494 121.223 0.073 0.000 2.341 586 L HA 0.170 4.510 4.340 0.000 0.000 0.214 586 L C 1.793 178.677 176.870 0.023 0.000 1.115 586 L CA 1.834 56.703 54.840 0.048 0.000 0.820 586 L CB -0.855 41.239 42.059 0.057 0.000 0.944 586 L HN 0.132 nan 8.230 nan 0.000 0.452 587 S N -1.595 114.122 115.700 0.030 0.000 2.474 587 S HA -0.114 4.356 4.470 0.000 0.000 0.235 587 S C 1.598 176.201 174.600 0.004 0.000 0.997 587 S CA 1.319 59.523 58.200 0.006 0.000 0.949 587 S CB -0.871 62.334 63.200 0.009 0.000 0.766 587 S HN 0.595 nan 8.310 nan 0.000 0.517 588 T N 1.177 115.739 114.554 0.013 0.000 2.904 588 T HA 0.199 4.549 4.350 0.000 0.000 0.243 588 T C 1.827 176.530 174.700 0.005 0.000 1.024 588 T CA 1.011 63.115 62.100 0.008 0.000 1.158 588 T CB -0.343 68.533 68.868 0.012 0.000 0.867 588 T HN 0.239 nan 8.240 nan 0.000 0.429 589 V N 1.720 121.640 119.914 0.010 0.000 2.407 589 V HA 0.253 4.373 4.120 0.000 0.000 0.245 589 V C 1.511 177.606 176.094 0.003 0.000 1.041 589 V CA 0.531 62.836 62.300 0.007 0.000 1.040 589 V CB -0.858 30.971 31.823 0.011 0.000 0.671 589 V HN 0.518 nan 8.190 nan 0.000 0.455 590 A N 0.847 123.668 122.820 0.003 0.000 2.531 590 A HA 0.229 4.550 4.320 0.000 0.000 0.236 590 A C 0.810 178.389 177.584 -0.009 0.000 1.062 590 A CA 0.172 52.207 52.037 -0.003 0.000 0.760 590 A CB -0.134 18.862 19.000 -0.006 0.000 0.995 590 A HN 0.466 nan 8.150 nan 0.000 0.501 591 S N 1.883 117.578 115.700 -0.010 0.000 2.558 591 S HA 0.080 4.550 4.470 0.000 0.000 0.288 591 S C 1.485 176.075 174.600 -0.017 0.000 1.318 591 S CA 0.212 58.405 58.200 -0.012 0.000 1.056 591 S CB 0.676 63.870 63.200 -0.011 0.000 0.853 591 S HN 0.761 nan 8.310 nan 0.000 0.505 592 T N 1.992 116.535 114.554 -0.018 0.000 2.849 592 T HA -0.122 4.228 4.350 0.000 0.000 0.270 592 T C 1.105 175.789 174.700 -0.027 0.000 1.066 592 T CA 1.438 63.523 62.100 -0.024 0.000 1.130 592 T CB -0.282 68.572 68.868 -0.023 0.000 0.864 592 T HN 0.539 nan 8.240 nan 0.000 0.481 593 D N 0.546 120.933 120.400 -0.022 0.000 2.103 593 D HA 0.035 4.675 4.640 0.000 0.000 0.199 593 D C 1.942 178.228 176.300 -0.023 0.000 0.978 593 D CA 0.360 54.347 54.000 -0.022 0.000 0.829 593 D CB -0.287 40.503 40.800 -0.017 0.000 0.981 593 D HN 0.165 nan 8.370 nan 0.000 0.464 594 I N 0.772 121.330 120.570 -0.020 0.000 2.315 594 I HA -0.120 4.050 4.170 0.000 0.000 0.248 594 I C 2.208 178.309 176.117 -0.025 0.000 1.117 594 I CA 0.703 61.992 61.300 -0.019 0.000 1.404 594 I CB -0.491 37.502 38.000 -0.013 0.000 1.071 594 I HN 0.008 nan 8.210 nan 0.000 0.419 595 L N 0.235 121.441 121.223 -0.030 0.000 2.042 595 L HA -0.193 4.147 4.340 0.000 0.000 0.210 595 L C 2.443 179.281 176.870 -0.054 0.000 1.076 595 L CA 1.863 56.678 54.840 -0.041 0.000 0.749 595 L CB -0.464 41.569 42.059 -0.044 0.000 0.893 595 L HN 0.232 nan 8.230 nan 0.000 0.432 596 A N -1.296 121.493 122.820 -0.051 0.000 2.070 596 A HA -0.160 4.160 4.320 0.000 0.000 0.220 596 A C 2.152 179.706 177.584 -0.051 0.000 1.159 596 A CA 2.058 54.061 52.037 -0.058 0.000 0.656 596 A CB -0.824 18.146 19.000 -0.050 0.000 0.800 596 A HN 0.551 nan 8.150 nan 0.000 0.453 597 T N -0.875 113.655 114.554 -0.041 0.000 2.852 597 T HA -0.048 4.303 4.350 0.000 0.000 0.256 597 T C 1.860 176.538 174.700 -0.037 0.000 1.038 597 T CA 1.201 63.281 62.100 -0.034 0.000 1.141 597 T CB -0.447 68.406 68.868 -0.025 0.000 0.869 597 T HN 0.111 nan 8.240 nan 0.000 0.439 598 V N 1.604 121.495 119.914 -0.038 0.000 2.332 598 V HA -0.062 4.058 4.120 0.000 0.000 0.248 598 V C 1.863 177.923 176.094 -0.056 0.000 1.055 598 V CA 1.504 63.781 62.300 -0.039 0.000 1.038 598 V CB -0.532 31.271 31.823 -0.034 0.000 0.651 598 V HN 0.445 nan 8.190 nan 0.000 0.450 599 L N -0.328 120.850 121.223 -0.074 0.000 2.848 599 L HA 0.223 4.564 4.340 0.000 0.000 0.240 599 L C 1.010 177.825 176.870 -0.092 0.000 1.232 599 L CA -0.168 54.613 54.840 -0.099 0.000 1.031 599 L CB -0.282 41.699 42.059 -0.130 0.000 1.338 599 L HN 0.338 nan 8.230 nan 0.000 0.509 600 E N 1.187 121.346 120.200 -0.068 0.000 2.570 600 E HA -0.155 4.195 4.350 0.000 0.000 0.263 600 E C 0.751 177.314 176.600 -0.061 0.000 1.390 600 E CA 0.412 56.779 56.400 -0.056 0.000 1.115 600 E CB 0.432 30.110 29.700 -0.038 0.000 0.970 600 E HN 0.398 nan 8.360 nan 0.000 0.545 601 E N 0.644 120.821 120.200 -0.039 0.000 2.463 601 E HA -0.010 4.340 4.350 0.000 0.000 0.191 601 E C -0.437 176.150 176.600 -0.021 0.000 1.083 601 E CA -0.069 56.310 56.400 -0.036 0.000 0.872 601 E CB -0.106 29.605 29.700 0.018 0.000 0.966 601 E HN 0.257 nan 8.360 nan 0.000 0.491 602 M N 0.171 119.755 119.600 -0.027 0.000 4.046 602 M HA -0.123 4.357 4.480 0.000 0.000 0.157 602 M C -2.309 173.995 176.300 0.006 0.000 1.532 602 M CA 0.019 55.307 55.300 -0.019 0.000 1.097 602 M CB -1.500 31.100 32.600 -0.002 0.000 1.346 602 M HN 0.069 nan 8.290 nan 0.000 0.191 603 P HA 0.317 nan 4.420 nan 0.000 0.272 603 P C -2.154 175.148 177.300 0.003 0.000 1.248 603 P CA -0.646 62.446 63.100 -0.013 0.000 0.799 603 P CB -0.270 31.398 31.700 -0.053 0.000 0.997 604 P HA 0.099 nan 4.420 nan 0.000 0.271 604 P C -0.630 176.694 177.300 0.040 0.000 1.233 604 P CA 0.177 63.332 63.100 0.091 0.000 0.789 604 P CB 0.174 31.923 31.700 0.081 0.000 0.951 605 F N 1.612 121.594 119.950 0.053 0.000 2.420 605 F HA 0.279 4.806 4.527 0.000 0.000 0.352 605 F C -1.482 174.328 175.800 0.016 0.000 1.108 605 F CA -1.685 56.332 58.000 0.028 0.000 1.162 605 F CB 0.219 39.234 39.000 0.024 0.000 1.118 605 F HN 0.209 nan 8.300 nan 0.000 0.510 606 P HA -0.038 nan 4.420 nan 0.000 0.266 606 P C -0.594 176.783 177.300 0.128 0.000 1.195 606 P CA 0.031 63.194 63.100 0.104 0.000 0.768 606 P CB 0.502 32.238 31.700 0.060 0.000 0.838 607 E N 3.256 123.503 120.200 0.078 0.000 2.148 607 E HA 0.057 4.407 4.350 0.000 0.000 0.308 607 E C 0.200 176.826 176.600 0.044 0.000 1.278 607 E CA -0.126 56.309 56.400 0.059 0.000 1.368 607 E CB -0.395 29.328 29.700 0.037 0.000 1.229 607 E HN 0.314 nan 8.360 nan 0.000 0.494 608 R N 1.741 122.273 120.500 0.055 0.000 2.457 608 R HA -0.186 4.154 4.340 0.000 0.000 0.274 608 R C 0.742 177.056 176.300 0.023 0.000 0.935 608 R CA 1.225 57.348 56.100 0.039 0.000 1.115 608 R CB 0.194 30.517 30.300 0.038 0.000 0.860 608 R HN 0.488 nan 8.270 nan 0.000 0.426 609 E N 0.865 121.077 120.200 0.018 0.000 2.446 609 E HA 0.365 4.715 4.350 0.000 0.000 0.276 609 E C -1.237 175.369 176.600 0.010 0.000 0.969 609 E CA -1.051 55.357 56.400 0.013 0.000 0.800 609 E CB 1.266 30.973 29.700 0.012 0.000 1.341 609 E HN 0.339 nan 8.360 nan 0.000 0.460 610 S N 1.006 116.711 115.700 0.008 0.000 2.572 610 S HA 0.211 4.681 4.470 0.000 0.000 0.279 610 S C -0.180 174.425 174.600 0.007 0.000 1.341 610 S CA -0.455 57.749 58.200 0.007 0.000 1.043 610 S CB 0.553 63.756 63.200 0.006 0.000 0.887 610 S HN 0.534 nan 8.310 nan 0.000 0.516 611 S N 1.989 117.693 115.700 0.007 0.000 2.513 611 S HA 0.443 4.914 4.470 0.000 0.000 0.276 611 S C -0.067 174.537 174.600 0.007 0.000 1.254 611 S CA -0.856 57.348 58.200 0.007 0.000 1.053 611 S CB 0.009 63.213 63.200 0.007 0.000 0.958 611 S HN 0.556 nan 8.310 nan 0.000 0.491 612 I N 3.765 124.339 120.570 0.006 0.000 2.483 612 I HA 0.015 4.185 4.170 0.000 0.000 0.291 612 I C 1.129 177.250 176.117 0.007 0.000 1.112 612 I CA -0.147 61.156 61.300 0.006 0.000 1.350 612 I CB 0.165 38.169 38.000 0.006 0.000 1.419 612 I HN 0.684 nan 8.210 nan 0.000 0.523 613 L N 6.074 127.302 121.223 0.007 0.000 2.270 613 L HA 0.236 4.576 4.340 0.000 0.000 0.210 613 L C 0.926 177.800 176.870 0.007 0.000 1.104 613 L CA 0.550 55.394 54.840 0.007 0.000 0.804 613 L CB -0.094 41.969 42.059 0.008 0.000 0.937 613 L HN 0.777 nan 8.230 nan 0.000 0.450 614 A N -0.086 122.739 122.820 0.007 0.000 2.594 614 A HA 0.586 4.906 4.320 0.000 0.000 0.296 614 A C -1.106 176.482 177.584 0.007 0.000 1.061 614 A CA -0.559 51.482 52.037 0.007 0.000 0.689 614 A CB 1.933 20.938 19.000 0.008 0.000 1.280 614 A HN -0.007 nan 8.150 nan 0.000 0.406 615 K N 1.284 121.688 120.400 0.007 0.000 2.551 615 K HA 0.550 4.870 4.320 0.000 0.000 0.269 615 K C -1.666 174.938 176.600 0.007 0.000 0.949 615 K CA -0.888 55.403 56.287 0.007 0.000 0.849 615 K CB 1.447 33.950 32.500 0.006 0.000 1.411 615 K HN 0.571 nan 8.250 nan 0.000 0.432 616 L N 4.356 125.583 121.223 0.007 0.000 2.597 616 L HA 0.088 4.428 4.340 0.000 0.000 0.271 616 L C 0.455 177.329 176.870 0.007 0.000 1.157 616 L CA 1.074 55.918 54.840 0.007 0.000 0.928 616 L CB -0.067 41.997 42.059 0.007 0.000 1.216 616 L HN 0.690 nan 8.230 nan 0.000 0.481 617 K N 2.796 123.200 120.400 0.006 0.000 4.643 617 K HA 0.172 4.493 4.320 0.000 0.000 0.226 617 K C 0.223 176.826 176.600 0.006 0.000 1.147 617 K CA -0.718 55.573 56.287 0.006 0.000 1.941 617 K CB 0.027 32.530 32.500 0.006 0.000 2.803 617 K HN 0.214 nan 8.250 nan 0.000 0.590 618 K N 3.019 123.422 120.400 0.006 0.000 2.979 618 K HA -0.081 4.239 4.320 0.000 0.000 0.250 618 K C -0.530 176.074 176.600 0.006 0.000 1.038 618 K CA 0.576 56.866 56.287 0.006 0.000 1.121 618 K CB -1.071 31.432 32.500 0.005 0.000 1.173 618 K HN 0.428 nan 8.250 nan 0.000 0.271 619 K N 0.031 120.434 120.400 0.006 0.000 3.088 619 K HA -0.287 4.033 4.320 0.000 0.000 0.273 619 K C -1.186 175.419 176.600 0.008 0.000 1.111 619 K CA 1.768 58.059 56.287 0.007 0.000 0.803 619 K CB -2.140 30.364 32.500 0.007 0.000 1.226 619 K HN 0.626 nan 8.250 nan 0.000 0.485 620 K N -2.699 117.705 120.400 0.008 0.000 2.578 620 K HA 0.492 4.812 4.320 0.000 0.000 0.287 620 K C 0.916 177.521 176.600 0.008 0.000 1.010 620 K CA -0.800 55.492 56.287 0.008 0.000 0.889 620 K CB 0.925 33.430 32.500 0.008 0.000 1.514 620 K HN -0.055 nan 8.250 nan 0.000 0.424 621 G N 1.265 110.071 108.800 0.009 0.000 2.908 621 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 621 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 621 G C 0.679 175.584 174.900 0.008 0.000 1.311 621 G CA 0.901 46.007 45.100 0.009 0.000 0.787 621 G HN 0.805 nan 8.290 nan 0.000 0.700 622 G N -0.500 108.305 108.800 0.008 0.000 2.474 622 G HA2 0.377 4.337 3.960 0.000 0.000 0.233 622 G HA3 0.377 4.337 3.960 0.000 0.000 0.233 622 G C 0.378 175.282 174.900 0.007 0.000 1.278 622 G CA 0.860 45.965 45.100 0.008 0.000 0.861 622 G HN 0.961 nan 8.290 nan 0.000 0.567 623 S N 0.000 115.704 115.700 0.007 0.000 2.498 623 S HA 0.000 4.470 4.470 0.000 0.000 0.327 623 S CA 0.000 58.204 58.200 0.006 0.000 1.107 623 S CB 0.000 63.204 63.200 0.006 0.000 0.593 623 S HN 0.000 nan 8.310 nan 0.000 0.517