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 3omn_1_A DATA FIRST_RESID 17 DATA SEQUENCE FTRWFMSTNH KDIGVLYLFT GGLVGLISVA FTVYMRMELM APGVQFMcAE DATA SEQUENCE HLESGLVKGF FQSLWPSAVE NcTPNGHLWN VMITGHGILM MFFVVIPALF DATA SEQUENCE GGFGNYFMPL HIGAPAMAFP RMNNLSYWLY VAGTSLAVAS LFAPGGNGQL DATA SEQUENCE GSGIGWVLYP PLSTSESGYS TDLAIFAVHL SGASSILGAI NMITTFLNMR DATA SEQUENCE APGMTMHKVP LFAWSIFVTA WLILLALPVL AGAITMLLTD RNFGTTFFQP DATA SEQUENCE SGGGDPVLYQ HILWFFGHPE VYIIVLPAFG IVSHVIATFA KKPIFGYLPM DATA SEQUENCE VYAMVAIGVL GFVVWAHHMY TAGLSLTQQS YFMMATMVIA VPTGIKIFSW DATA SEQUENCE IATMWGGSIE LKTPMLWALG FLFLFTVGGV TGIVLSQASV DRYYHDTYYV DATA SEQUENCE VAHFHYVMSL GAVFGIFAGI YFWIGKMSGR QYPEWAGKLH FWMMFVGANL DATA SEQUENCE TFFPQHFLGR QGMPRRYIDY PEAFATWNFV SSLGAFLSFA SFLFFLGVIF DATA SEQUENCE YTLTRGARVT ANNYWNEHAD TLEWTLTSPP PEHTF 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 17 F HA 0.000 nan 4.527 nan 0.000 0.279 17 F C 0.000 175.975 175.800 0.292 0.000 0.967 17 F CA 0.000 58.118 58.000 0.196 0.000 1.383 17 F CB 0.000 39.080 39.000 0.133 0.000 1.145 18 T N -0.472 114.248 114.554 0.277 0.000 3.324 18 T HA 0.514 4.785 4.350 -0.132 0.000 0.250 18 T C 1.436 176.324 174.700 0.312 0.000 1.059 18 T CA 1.631 63.972 62.100 0.401 0.000 0.951 18 T CB -0.893 68.152 68.868 0.294 0.000 1.030 18 T HN 2.034 nan 8.240 nan 0.000 0.576 19 R N -0.712 119.909 120.500 0.202 0.000 2.297 19 R HA 0.263 4.524 4.340 -0.132 0.000 0.197 19 R C 1.754 178.057 176.300 0.006 0.000 0.943 19 R CA 0.237 56.386 56.100 0.080 0.000 1.038 19 R CB -1.211 29.083 30.300 -0.010 0.000 0.957 19 R HN 0.832 nan 8.270 nan 0.000 0.484 20 W N -0.705 120.561 121.300 -0.056 0.000 2.409 20 W HA 0.109 4.686 4.660 -0.140 0.000 0.299 20 W C 1.431 177.795 176.519 -0.258 0.000 1.203 20 W CA 0.847 58.039 57.345 -0.255 0.000 1.298 20 W CB -0.003 29.153 29.460 -0.506 0.000 1.127 20 W HN 0.302 nan 8.180 nan 0.000 0.528 21 F N -1.211 118.942 119.950 0.339 0.000 2.558 21 F HA -0.075 4.380 4.527 -0.121 0.000 0.298 21 F C 2.058 178.132 175.800 0.457 0.000 1.119 21 F CA 0.802 59.036 58.000 0.389 0.000 1.451 21 F CB -0.397 38.990 39.000 0.644 0.000 1.091 21 F HN -0.195 nan 8.300 nan 0.000 0.563 22 M N -0.994 118.859 119.600 0.422 0.000 2.428 22 M HA 0.133 4.534 4.480 -0.132 0.000 0.239 22 M C 0.871 177.271 176.300 0.166 0.000 1.121 22 M CA 0.207 55.685 55.300 0.298 0.000 1.019 22 M CB -0.649 32.068 32.600 0.195 0.000 1.485 22 M HN -0.075 nan 8.290 nan 0.000 0.484 23 S N 1.261 117.011 115.700 0.083 0.000 2.562 23 S HA 0.123 4.513 4.470 -0.132 0.000 0.281 23 S C 1.324 175.935 174.600 0.018 0.000 1.333 23 S CA 0.303 58.488 58.200 -0.025 0.000 1.052 23 S CB 0.632 63.725 63.200 -0.179 0.000 0.884 23 S HN 0.551 nan 8.310 nan 0.000 0.506 24 T N 1.096 115.653 114.554 0.005 0.000 3.010 24 T HA 0.212 4.482 4.350 -0.132 0.000 0.257 24 T C 0.600 175.308 174.700 0.013 0.000 1.020 24 T CA -0.414 61.712 62.100 0.043 0.000 0.938 24 T CB -0.343 68.564 68.868 0.065 0.000 1.049 24 T HN 0.594 nan 8.240 nan 0.000 0.522 25 N N 2.166 120.831 118.700 -0.060 0.000 2.483 25 N HA -0.035 4.625 4.740 -0.132 0.000 0.264 25 N C 1.262 176.689 175.510 -0.139 0.000 1.197 25 N CA 0.260 53.246 53.050 -0.106 0.000 0.927 25 N CB 0.838 39.193 38.487 -0.221 0.000 1.065 25 N HN 0.657 nan 8.380 nan 0.000 0.461 26 H N 3.394 122.376 119.070 -0.147 0.000 2.426 26 H HA -0.086 4.390 4.556 -0.133 0.000 0.298 26 H C 1.241 176.413 175.328 -0.260 0.000 1.107 26 H CA 1.546 57.498 56.048 -0.160 0.000 1.298 26 H CB 0.212 29.875 29.762 -0.165 0.000 1.377 26 H HN 0.545 nan 8.280 nan 0.000 0.519 27 K N 0.247 120.018 120.400 -1.048 0.000 2.057 27 K HA -0.110 4.130 4.320 -0.132 0.000 0.206 27 K C 1.632 178.022 176.600 -0.350 0.000 1.050 27 K CA 1.362 57.011 56.287 -1.063 0.000 0.935 27 K CB 0.050 31.758 32.500 -1.321 0.000 0.715 27 K HN 0.400 nan 8.250 nan 0.000 0.439 28 D N 1.025 121.259 120.400 -0.277 0.000 2.144 28 D HA -0.102 4.459 4.640 -0.132 0.000 0.200 28 D C 1.956 178.289 176.300 0.055 0.000 0.978 28 D CA 0.976 54.938 54.000 -0.063 0.000 0.833 28 D CB -0.118 40.484 40.800 -0.329 0.000 0.961 28 D HN 0.171 nan 8.370 nan 0.000 0.470 29 I N 1.168 121.712 120.570 -0.043 0.000 2.202 29 I HA -0.145 3.945 4.170 -0.132 0.000 0.242 29 I C 2.619 178.801 176.117 0.108 0.000 1.091 29 I CA 1.222 62.508 61.300 -0.022 0.000 1.368 29 I CB -0.474 37.568 38.000 0.070 0.000 1.058 29 I HN 0.002 nan 8.210 nan 0.000 0.410 30 G N 0.546 109.420 108.800 0.123 0.000 2.513 30 G HA2 -0.244 3.637 3.960 -0.132 0.000 0.219 30 G HA3 -0.244 3.637 3.960 -0.132 0.000 0.219 30 G C 1.693 176.655 174.900 0.104 0.000 1.160 30 G CA 1.251 46.443 45.100 0.154 0.000 0.767 30 G HN 0.266 nan 8.290 nan 0.000 0.571 31 V N 0.738 120.722 119.914 0.117 0.000 2.358 31 V HA -0.082 3.959 4.120 -0.132 0.000 0.246 31 V C 2.915 179.001 176.094 -0.013 0.000 1.047 31 V CA 1.363 63.675 62.300 0.018 0.000 1.035 31 V CB -0.376 31.552 31.823 0.176 0.000 0.658 31 V HN 0.351 nan 8.190 nan 0.000 0.452 32 L N -1.503 119.684 121.223 -0.060 0.000 2.042 32 L HA -0.238 4.023 4.340 -0.132 0.000 0.210 32 L C 2.473 179.323 176.870 -0.034 0.000 1.076 32 L CA 2.039 56.716 54.840 -0.271 0.000 0.749 32 L CB -0.600 40.931 42.059 -0.880 0.000 0.893 32 L HN 0.320 nan 8.230 nan 0.000 0.432 33 Y N -0.369 119.953 120.300 0.037 0.000 2.242 33 Y HA -0.244 4.230 4.550 -0.126 0.000 0.291 33 Y C 2.468 178.436 175.900 0.114 0.000 1.137 33 Y CA 1.003 59.230 58.100 0.212 0.000 1.181 33 Y CB -0.025 38.495 38.460 0.101 0.000 0.989 33 Y HN 0.079 nan 8.280 nan 0.000 0.527 34 L N -1.826 119.456 121.223 0.099 0.000 2.027 34 L HA -0.240 4.020 4.340 -0.132 0.000 0.206 34 L C 2.072 178.942 176.870 -0.001 0.000 1.074 34 L CA 1.198 55.979 54.840 -0.099 0.000 0.745 34 L CB -0.576 41.253 42.059 -0.383 0.000 0.898 34 L HN 0.168 nan 8.230 nan 0.000 0.433 35 F N 0.140 120.102 119.950 0.021 0.000 2.134 35 F HA -0.214 4.233 4.527 -0.133 0.000 0.299 35 F C 2.678 178.543 175.800 0.108 0.000 1.097 35 F CA 1.695 59.708 58.000 0.021 0.000 1.264 35 F CB -1.050 37.899 39.000 -0.085 0.000 1.001 35 F HN 0.032 nan 8.300 nan 0.000 0.479 36 T N -0.985 113.797 114.554 0.380 0.000 2.812 36 T HA -0.082 4.188 4.350 -0.132 0.000 0.264 36 T C 2.367 177.296 174.700 0.381 0.000 1.042 36 T CA 1.325 63.640 62.100 0.358 0.000 1.140 36 T CB -1.036 68.097 68.868 0.442 0.000 0.870 36 T HN 0.390 nan 8.240 nan 0.000 0.445 37 G N 1.029 110.087 108.800 0.429 0.000 2.422 37 G HA2 -0.052 3.829 3.960 -0.132 0.000 0.218 37 G HA3 -0.052 3.829 3.960 -0.132 0.000 0.218 37 G C 1.712 176.776 174.900 0.273 0.000 1.146 37 G CA 0.923 46.237 45.100 0.357 0.000 0.769 37 G HN 0.562 nan 8.290 nan 0.000 0.547 38 G N 0.726 109.690 108.800 0.272 0.000 2.418 38 G HA2 -0.113 3.768 3.960 -0.132 0.000 0.217 38 G HA3 -0.113 3.768 3.960 -0.132 0.000 0.217 38 G C 1.719 176.826 174.900 0.346 0.000 1.158 38 G CA 1.066 46.365 45.100 0.332 0.000 0.771 38 G HN 0.422 nan 8.290 nan 0.000 0.545 39 L N 0.878 122.269 121.223 0.280 0.000 2.044 39 L HA 0.069 4.329 4.340 -0.132 0.000 0.205 39 L C 2.852 179.831 176.870 0.182 0.000 1.075 39 L CA 1.407 56.379 54.840 0.220 0.000 0.747 39 L CB -0.557 41.600 42.059 0.162 0.000 0.903 39 L HN 0.064 nan 8.230 nan 0.000 0.435 40 V N 0.392 120.412 119.914 0.176 0.000 2.407 40 V HA -0.180 3.861 4.120 -0.132 0.000 0.248 40 V C 2.663 178.823 176.094 0.110 0.000 1.055 40 V CA 1.628 64.005 62.300 0.128 0.000 1.049 40 V CB -1.783 30.155 31.823 0.193 0.000 0.662 40 V HN 0.627 nan 8.190 nan 0.000 0.455 41 G N 0.203 109.101 108.800 0.164 0.000 2.446 41 G HA2 -0.285 3.595 3.960 -0.132 0.000 0.217 41 G HA3 -0.285 3.595 3.960 -0.132 0.000 0.217 41 G C 1.584 176.541 174.900 0.096 0.000 1.168 41 G CA 1.251 46.418 45.100 0.111 0.000 0.771 41 G HN 0.453 nan 8.290 nan 0.000 0.551 42 L N 0.842 122.234 121.223 0.282 0.000 2.012 42 L HA -0.012 4.248 4.340 -0.132 0.000 0.210 42 L C 2.702 179.673 176.870 0.168 0.000 1.073 42 L CA 1.463 56.530 54.840 0.379 0.000 0.748 42 L CB -0.445 41.891 42.059 0.462 0.000 0.891 42 L HN 0.305 nan 8.230 nan 0.000 0.431 43 I N -1.345 119.248 120.570 0.038 0.000 2.179 43 I HA -0.311 3.780 4.170 -0.132 0.000 0.242 43 I C 2.665 178.499 176.117 -0.470 0.000 1.088 43 I CA 1.639 62.837 61.300 -0.169 0.000 1.357 43 I CB -0.571 37.305 38.000 -0.206 0.000 1.051 43 I HN 0.334 nan 8.210 nan 0.000 0.409 44 S N 0.236 115.725 115.700 -0.352 0.000 2.383 44 S HA -0.112 4.279 4.470 -0.132 0.000 0.227 44 S C 2.105 176.673 174.600 -0.054 0.000 1.026 44 S CA 1.039 59.066 58.200 -0.289 0.000 0.981 44 S CB -0.184 63.000 63.200 -0.026 0.000 0.818 44 S HN 0.212 nan 8.310 nan 0.000 0.472 45 V N 2.175 122.067 119.914 -0.037 0.000 2.332 45 V HA -0.176 3.865 4.120 -0.132 0.000 0.248 45 V C 2.817 178.866 176.094 -0.075 0.000 1.055 45 V CA 1.815 64.094 62.300 -0.034 0.000 1.038 45 V CB -1.291 30.491 31.823 -0.068 0.000 0.651 45 V HN 0.604 nan 8.190 nan 0.000 0.450 46 A N -0.340 122.456 122.820 -0.039 0.000 1.933 46 A HA -0.188 4.052 4.320 -0.132 0.000 0.218 46 A C 2.054 179.697 177.584 0.099 0.000 1.175 46 A CA 1.720 53.711 52.037 -0.078 0.000 0.628 46 A CB -0.647 18.403 19.000 0.084 0.000 0.814 46 A HN 0.444 nan 8.150 nan 0.000 0.444 47 F N 1.258 121.181 119.950 -0.045 0.000 2.095 47 F HA -0.196 4.251 4.527 -0.133 0.000 0.298 47 F C 3.028 178.747 175.800 -0.136 0.000 1.104 47 F CA 1.608 59.582 58.000 -0.043 0.000 1.232 47 F CB -1.635 37.355 39.000 -0.016 0.000 0.987 47 F HN 0.450 nan 8.300 nan 0.000 0.475 48 T N -2.090 112.432 114.554 -0.053 0.000 2.833 48 T HA -0.105 4.165 4.350 -0.132 0.000 0.269 48 T C 2.096 176.731 174.700 -0.108 0.000 1.054 48 T CA 1.372 63.347 62.100 -0.208 0.000 1.135 48 T CB -1.048 67.628 68.868 -0.321 0.000 0.869 48 T HN 0.070 nan 8.240 nan 0.000 0.466 49 V N 0.390 120.236 119.914 -0.112 0.000 2.295 49 V HA -0.107 3.933 4.120 -0.132 0.000 0.246 49 V C 2.319 178.433 176.094 0.033 0.000 1.049 49 V CA 1.807 64.066 62.300 -0.069 0.000 1.024 49 V CB -0.980 30.598 31.823 -0.408 0.000 0.648 49 V HN 0.507 nan 8.190 nan 0.000 0.447 50 Y N 0.306 120.523 120.300 -0.137 0.000 2.145 50 Y HA -0.267 4.203 4.550 -0.132 0.000 0.286 50 Y C 2.482 178.322 175.900 -0.100 0.000 1.145 50 Y CA 1.761 59.766 58.100 -0.157 0.000 1.148 50 Y CB -0.468 37.916 38.460 -0.127 0.000 0.981 50 Y HN 0.177 nan 8.280 nan 0.000 0.507 51 M N -0.481 119.041 119.600 -0.130 0.000 2.082 51 M HA -0.291 4.110 4.480 -0.132 0.000 0.258 51 M C 2.127 178.487 176.300 0.099 0.000 1.069 51 M CA 1.902 57.148 55.300 -0.090 0.000 1.102 51 M CB -0.292 32.181 32.600 -0.212 0.000 1.336 51 M HN 0.058 nan 8.290 nan 0.000 0.404 52 R N -0.369 120.143 120.500 0.019 0.000 2.189 52 R HA 0.033 4.294 4.340 -0.132 0.000 0.218 52 R C 1.962 178.293 176.300 0.052 0.000 1.074 52 R CA 0.984 57.079 56.100 -0.008 0.000 0.991 52 R CB -0.414 29.779 30.300 -0.178 0.000 0.883 52 R HN 0.500 nan 8.270 nan 0.000 0.457 53 M N 0.229 119.841 119.600 0.021 0.000 2.086 53 M HA -0.175 4.226 4.480 -0.132 0.000 0.261 53 M C 2.097 178.221 176.300 -0.293 0.000 1.067 53 M CA 1.649 56.820 55.300 -0.216 0.000 1.116 53 M CB -0.177 31.972 32.600 -0.753 0.000 1.348 53 M HN -0.091 nan 8.290 nan 0.000 0.407 54 E N 0.726 120.758 120.200 -0.280 0.000 2.106 54 E HA -0.082 4.189 4.350 -0.132 0.000 0.192 54 E C 1.667 178.328 176.600 0.102 0.000 0.984 54 E CA 1.162 57.572 56.400 0.017 0.000 0.806 54 E CB -0.221 29.508 29.700 0.048 0.000 0.750 54 E HN 0.468 nan 8.360 nan 0.000 0.458 55 L N 0.226 121.522 121.223 0.122 0.000 2.554 55 L HA 0.085 4.345 4.340 -0.132 0.000 0.226 55 L C 2.353 179.367 176.870 0.240 0.000 1.137 55 L CA 0.233 55.193 54.840 0.199 0.000 0.863 55 L CB -0.307 41.819 42.059 0.113 0.000 0.985 55 L HN 0.293 nan 8.230 nan 0.000 0.451 56 M N 0.211 119.914 119.600 0.171 0.000 2.202 56 M HA -0.096 4.304 4.480 -0.132 0.000 0.262 56 M C 0.695 177.211 176.300 0.359 0.000 1.063 56 M CA 1.455 56.874 55.300 0.198 0.000 1.097 56 M CB 0.172 32.896 32.600 0.205 0.000 1.382 56 M HN 0.235 nan 8.290 nan 0.000 0.413 57 A N 0.495 123.501 122.820 0.309 0.000 2.515 57 A HA 0.708 4.949 4.320 -0.132 0.000 0.298 57 A C -2.691 174.895 177.584 0.003 0.000 1.059 57 A CA -1.505 50.669 52.037 0.229 0.000 0.698 57 A CB 0.866 19.967 19.000 0.169 0.000 1.289 57 A HN 0.166 nan 8.150 nan 0.000 0.404 58 P HA 0.422 nan 4.420 nan 0.000 0.269 58 P C 0.480 177.620 177.300 -0.268 0.000 1.215 58 P CA 1.438 64.231 63.100 -0.512 0.000 0.780 58 P CB 0.732 32.256 31.700 -0.293 0.000 0.898 59 G N 0.241 108.868 108.800 -0.289 0.000 2.721 59 G HA2 -0.071 3.810 3.960 -0.132 0.000 0.686 59 G HA3 -0.071 3.810 3.960 -0.132 0.000 0.686 59 G C -1.012 173.805 174.900 -0.138 0.000 1.236 59 G CA -0.744 44.256 45.100 -0.167 0.000 0.786 59 G HN 0.441 nan 8.290 nan 0.000 0.616 60 V N 2.252 122.106 119.914 -0.099 0.000 2.432 60 V HA 0.489 4.529 4.120 -0.132 0.000 0.275 60 V C 0.894 176.967 176.094 -0.036 0.000 1.043 60 V CA 0.430 62.702 62.300 -0.048 0.000 0.925 60 V CB 1.423 33.221 31.823 -0.043 0.000 0.985 60 V HN 0.870 nan 8.190 nan 0.000 0.466 61 Q N 2.370 122.166 119.800 -0.007 0.000 2.288 61 Q HA 0.341 4.602 4.340 -0.132 0.000 0.256 61 Q C 0.860 176.705 176.000 -0.259 0.000 0.835 61 Q CA 0.462 56.157 55.803 -0.180 0.000 0.958 61 Q CB 0.520 29.051 28.738 -0.345 0.000 1.125 61 Q HN 0.792 nan 8.270 nan 0.000 0.513 62 F N -0.766 119.231 119.950 0.078 0.000 2.537 62 F HA 0.305 4.752 4.527 -0.132 0.000 0.277 62 F C 0.797 176.756 175.800 0.265 0.000 1.013 62 F CA 0.178 58.287 58.000 0.182 0.000 1.332 62 F CB 0.431 39.487 39.000 0.094 0.000 1.108 62 F HN -0.120 nan 8.300 nan 0.000 0.679 63 M N 1.640 121.446 119.600 0.344 0.000 3.396 63 M HA 0.189 4.589 4.480 -0.132 0.000 0.255 63 M C -1.185 175.200 176.300 0.142 0.000 1.398 63 M CA -0.183 55.288 55.300 0.285 0.000 1.554 63 M CB -0.386 32.357 32.600 0.239 0.000 1.070 63 M HN 0.069 nan 8.290 nan 0.000 0.587 64 c N 0.666 119.290 118.600 0.041 0.000 2.330 64 c HA 0.495 4.985 4.570 -0.132 0.000 0.344 64 c C 1.905 175.899 174.090 -0.159 0.000 1.273 64 c CA -0.685 55.533 56.329 -0.184 0.000 1.879 64 c CB 0.744 42.939 42.510 -0.525 0.000 2.376 64 c HN 0.908 nan 8.230 nan 0.000 0.534 65 A N 1.899 124.673 122.820 -0.077 0.000 1.978 65 A HA -0.155 4.086 4.320 -0.132 0.000 0.220 65 A C 1.867 179.428 177.584 -0.039 0.000 1.170 65 A CA 1.714 53.737 52.037 -0.024 0.000 0.636 65 A CB -0.390 18.605 19.000 -0.009 0.000 0.810 65 A HN 0.925 nan 8.150 nan 0.000 0.448 66 E N -0.280 119.850 120.200 -0.116 0.000 2.219 66 E HA -0.194 4.076 4.350 -0.132 0.000 0.198 66 E C 1.652 178.271 176.600 0.031 0.000 0.998 66 E CA 1.389 57.746 56.400 -0.071 0.000 0.818 66 E CB -0.365 29.274 29.700 -0.102 0.000 0.741 66 E HN 0.735 nan 8.360 nan 0.000 0.477 67 H N -0.412 118.705 119.070 0.079 0.000 2.521 67 H HA 0.017 4.494 4.556 -0.132 0.000 0.286 67 H C 1.827 177.210 175.328 0.091 0.000 1.034 67 H CA 0.681 56.785 56.048 0.093 0.000 1.278 67 H CB -0.189 29.641 29.762 0.114 0.000 1.386 67 H HN 0.209 nan 8.280 nan 0.000 0.567 68 L N 0.422 121.749 121.223 0.173 0.000 2.217 68 L HA -0.086 4.174 4.340 -0.132 0.000 0.211 68 L C 2.155 179.087 176.870 0.104 0.000 1.107 68 L CA 0.781 55.697 54.840 0.127 0.000 0.783 68 L CB -0.116 41.996 42.059 0.089 0.000 0.919 68 L HN 0.114 nan 8.230 nan 0.000 0.442 69 E N 0.151 120.408 120.200 0.094 0.000 2.268 69 E HA -0.032 4.239 4.350 -0.132 0.000 0.195 69 E C 1.092 177.742 176.600 0.084 0.000 0.995 69 E CA 0.358 56.804 56.400 0.076 0.000 0.836 69 E CB -0.072 29.665 29.700 0.062 0.000 0.763 69 E HN 0.414 nan 8.360 nan 0.000 0.491 70 S N 0.210 115.976 115.700 0.110 0.000 2.640 70 S HA 0.376 4.767 4.470 -0.132 0.000 0.262 70 S C 0.779 175.442 174.600 0.104 0.000 1.232 70 S CA -0.275 57.989 58.200 0.107 0.000 0.988 70 S CB 0.729 64.005 63.200 0.128 0.000 1.034 70 S HN 0.266 nan 8.310 nan 0.000 0.569 71 G N -0.883 107.979 108.800 0.103 0.000 2.653 71 G HA2 0.443 4.323 3.960 -0.132 0.000 0.265 71 G HA3 0.443 4.323 3.960 -0.132 0.000 0.265 71 G C 1.197 176.175 174.900 0.130 0.000 1.237 71 G CA -0.178 44.983 45.100 0.103 0.000 0.946 71 G HN 0.771 nan 8.290 nan 0.000 0.522 72 L N -0.729 120.569 121.223 0.124 0.000 2.046 72 L HA 0.019 4.279 4.340 -0.132 0.000 0.208 72 L C 3.061 180.037 176.870 0.176 0.000 1.077 72 L CA 2.498 57.428 54.840 0.149 0.000 0.747 72 L CB -1.525 40.614 42.059 0.134 0.000 0.896 72 L HN 0.459 nan 8.230 nan 0.000 0.432 73 V N -0.690 119.322 119.914 0.164 0.000 2.323 73 V HA -0.223 3.817 4.120 -0.132 0.000 0.244 73 V C 2.889 179.216 176.094 0.389 0.000 1.041 73 V CA 2.019 64.464 62.300 0.241 0.000 1.025 73 V CB -0.627 31.319 31.823 0.206 0.000 0.656 73 V HN 0.714 nan 8.190 nan 0.000 0.451 74 K N 1.247 121.810 120.400 0.271 0.000 2.026 74 K HA -0.068 4.173 4.320 -0.132 0.000 0.208 74 K C 2.205 178.936 176.600 0.219 0.000 1.048 74 K CA 1.548 57.981 56.287 0.243 0.000 0.929 74 K CB -1.206 31.380 32.500 0.144 0.000 0.713 74 K HN 0.456 nan 8.250 nan 0.000 0.439 75 G N 0.581 109.492 108.800 0.185 0.000 2.440 75 G HA2 -0.293 3.588 3.960 -0.132 0.000 0.218 75 G HA3 -0.293 3.588 3.960 -0.132 0.000 0.218 75 G C 1.468 176.423 174.900 0.092 0.000 1.154 75 G CA 0.782 45.969 45.100 0.145 0.000 0.767 75 G HN 0.296 nan 8.290 nan 0.000 0.552 76 F N 0.995 120.938 119.950 -0.012 0.000 2.065 76 F HA -0.065 4.384 4.527 -0.130 0.000 0.298 76 F C 2.233 177.900 175.800 -0.221 0.000 1.112 76 F CA 1.588 59.492 58.000 -0.160 0.000 1.212 76 F CB -0.358 38.492 39.000 -0.250 0.000 0.975 76 F HN 0.115 nan 8.300 nan 0.000 0.476 77 F N 0.745 120.605 119.950 -0.150 0.000 2.259 77 F HA -0.114 4.333 4.527 -0.133 0.000 0.298 77 F C 2.546 178.222 175.800 -0.207 0.000 1.088 77 F CA 1.495 59.349 58.000 -0.244 0.000 1.358 77 F CB -0.942 38.054 39.000 -0.007 0.000 1.040 77 F HN 0.054 nan 8.300 nan 0.000 0.505 78 Q N -0.337 119.433 119.800 -0.051 0.000 2.167 78 Q HA -0.148 4.113 4.340 -0.132 0.000 0.202 78 Q C 2.186 177.928 176.000 -0.431 0.000 0.970 78 Q CA 1.680 57.349 55.803 -0.222 0.000 0.855 78 Q CB -0.285 28.259 28.738 -0.324 0.000 0.911 78 Q HN 0.416 nan 8.270 nan 0.000 0.438 79 S N -0.388 115.043 115.700 -0.450 0.000 2.603 79 S HA 0.061 4.452 4.470 -0.132 0.000 0.220 79 S C 1.481 176.220 174.600 0.233 0.000 0.967 79 S CA 0.231 58.369 58.200 -0.103 0.000 0.920 79 S CB 0.011 63.258 63.200 0.079 0.000 0.773 79 S HN 0.271 nan 8.310 nan 0.000 0.529 80 L N -0.224 121.044 121.223 0.075 0.000 2.585 80 L HA 0.378 4.639 4.340 -0.132 0.000 0.226 80 L C 0.696 177.863 176.870 0.495 0.000 1.113 80 L CA -0.173 54.795 54.840 0.214 0.000 0.876 80 L CB 0.124 42.129 42.059 -0.090 0.000 1.072 80 L HN 0.490 nan 8.230 nan 0.000 0.468 81 W N 2.860 124.281 121.300 0.201 0.000 2.632 81 W HA 0.343 4.923 4.660 -0.133 0.000 0.328 81 W C -2.485 173.975 176.519 -0.098 0.000 1.044 81 W CA -1.870 55.546 57.345 0.117 0.000 1.225 81 W CB 2.216 31.704 29.460 0.046 0.000 1.396 81 W HN -0.250 nan 8.180 nan 0.000 0.499 82 P HA 0.131 nan 4.420 nan 0.000 0.275 82 P C -0.636 176.512 177.300 -0.254 0.000 1.227 82 P CA 0.103 62.716 63.100 -0.812 0.000 0.781 82 P CB 1.583 32.742 31.700 -0.902 0.000 0.906 83 S N 0.817 116.400 115.700 -0.195 0.000 2.638 83 S HA 0.628 5.019 4.470 -0.132 0.000 0.298 83 S C 0.140 174.686 174.600 -0.090 0.000 1.111 83 S CA -0.600 57.571 58.200 -0.049 0.000 1.027 83 S CB 1.318 64.520 63.200 0.005 0.000 1.064 83 S HN 0.648 nan 8.310 nan 0.000 0.525 84 A N 1.220 124.015 122.820 -0.042 0.000 2.483 84 A HA 0.288 4.529 4.320 -0.132 0.000 0.238 84 A C 1.386 178.939 177.584 -0.051 0.000 1.070 84 A CA -0.430 51.580 52.037 -0.044 0.000 0.770 84 A CB -0.158 18.829 19.000 -0.021 0.000 1.008 84 A HN 0.695 nan 8.150 nan 0.000 0.497 85 V N 1.831 121.713 119.914 -0.054 0.000 2.324 85 V HA -0.317 3.724 4.120 -0.132 0.000 0.250 85 V C 2.527 178.595 176.094 -0.043 0.000 1.060 85 V CA 2.640 64.908 62.300 -0.053 0.000 1.042 85 V CB -1.154 30.637 31.823 -0.054 0.000 0.650 85 V HN 1.107 nan 8.190 nan 0.000 0.450 86 E N 0.308 120.488 120.200 -0.033 0.000 2.333 86 E HA -0.221 4.050 4.350 -0.132 0.000 0.198 86 E C 1.207 177.792 176.600 -0.024 0.000 1.007 86 E CA 1.497 57.882 56.400 -0.026 0.000 0.845 86 E CB -0.304 29.385 29.700 -0.019 0.000 0.766 86 E HN 0.626 nan 8.360 nan 0.000 0.507 87 N N -0.051 118.633 118.700 -0.026 0.000 2.203 87 N HA 0.073 4.734 4.740 -0.132 0.000 0.207 87 N C -0.977 174.504 175.510 -0.049 0.000 1.130 87 N CA 0.007 53.042 53.050 -0.025 0.000 0.861 87 N CB 0.914 39.398 38.487 -0.006 0.000 1.005 87 N HN 0.103 nan 8.380 nan 0.000 0.507 88 c N 1.763 120.328 118.600 -0.058 0.000 2.386 88 c HA 0.351 4.842 4.570 -0.132 0.000 0.318 88 c C 0.054 174.104 174.090 -0.067 0.000 1.128 88 c CA -0.350 55.929 56.329 -0.083 0.000 1.438 88 c CB -1.035 41.428 42.510 -0.079 0.000 1.987 88 c HN 0.163 nan 8.230 nan 0.000 0.426 89 T N 8.390 122.903 114.554 -0.069 0.000 2.752 89 T HA 0.223 4.494 4.350 -0.132 0.000 0.295 89 T C -2.442 172.234 174.700 -0.038 0.000 0.923 89 T CA -0.237 61.835 62.100 -0.047 0.000 1.112 89 T CB 0.542 69.387 68.868 -0.038 0.000 0.884 89 T HN 0.548 nan 8.240 nan 0.000 0.525 90 P HA 0.093 nan 4.420 nan 0.000 0.264 90 P C -0.180 177.126 177.300 0.010 0.000 1.193 90 P CA -0.211 62.879 63.100 -0.017 0.000 0.763 90 P CB 0.329 32.006 31.700 -0.037 0.000 0.810 91 N N 2.322 121.050 118.700 0.047 0.000 2.816 91 N HA 0.201 4.862 4.740 -0.132 0.000 0.236 91 N C 1.402 176.989 175.510 0.127 0.000 1.076 91 N CA -0.290 52.812 53.050 0.086 0.000 0.902 91 N CB -0.108 38.443 38.487 0.107 0.000 1.149 91 N HN 0.367 nan 8.380 nan 0.000 0.506 92 G N 0.849 109.713 108.800 0.107 0.000 2.432 92 G HA2 -0.289 3.592 3.960 -0.132 0.000 0.219 92 G HA3 -0.289 3.592 3.960 -0.132 0.000 0.219 92 G C 1.268 176.279 174.900 0.186 0.000 1.135 92 G CA 0.837 46.016 45.100 0.131 0.000 0.767 92 G HN 0.721 nan 8.290 nan 0.000 0.550 93 H N -0.053 119.069 119.070 0.087 0.000 2.352 93 H HA -0.042 4.434 4.556 -0.133 0.000 0.299 93 H C 2.319 177.691 175.328 0.073 0.000 1.097 93 H CA 1.580 57.669 56.048 0.069 0.000 1.311 93 H CB -0.183 29.600 29.762 0.035 0.000 1.377 93 H HN 0.237 nan 8.280 nan 0.000 0.504 94 L N 0.038 121.304 121.223 0.072 0.000 1.994 94 L HA -0.168 4.093 4.340 -0.132 0.000 0.208 94 L C 2.418 179.287 176.870 -0.002 0.000 1.071 94 L CA 2.046 56.896 54.840 0.017 0.000 0.745 94 L CB -1.185 40.954 42.059 0.134 0.000 0.892 94 L HN 0.552 nan 8.230 nan 0.000 0.431 95 W N 0.716 121.993 121.300 -0.039 0.000 2.302 95 W HA -0.364 4.218 4.660 -0.131 0.000 0.320 95 W C 2.210 178.702 176.519 -0.045 0.000 1.241 95 W CA 2.279 59.605 57.345 -0.031 0.000 1.264 95 W CB -0.466 28.994 29.460 0.001 0.000 1.154 95 W HN 0.369 nan 8.180 nan 0.000 0.483 96 N N 0.381 119.105 118.700 0.039 0.000 2.120 96 N HA -0.170 4.491 4.740 -0.132 0.000 0.188 96 N C 1.710 177.098 175.510 -0.202 0.000 1.024 96 N CA 2.076 55.099 53.050 -0.045 0.000 0.852 96 N CB -1.098 37.399 38.487 0.017 0.000 1.003 96 N HN 0.081 nan 8.380 nan 0.000 0.424 97 V N 1.563 121.287 119.914 -0.318 0.000 2.343 97 V HA -0.200 3.841 4.120 -0.132 0.000 0.247 97 V C 2.374 178.298 176.094 -0.283 0.000 1.051 97 V CA 1.278 63.391 62.300 -0.312 0.000 1.036 97 V CB -0.375 31.219 31.823 -0.382 0.000 0.654 97 V HN 0.251 nan 8.190 nan 0.000 0.451 98 M N 0.073 119.452 119.600 -0.369 0.000 2.099 98 M HA -0.105 4.295 4.480 -0.132 0.000 0.262 98 M C 2.409 178.542 176.300 -0.278 0.000 1.067 98 M CA 1.985 57.017 55.300 -0.446 0.000 1.124 98 M CB -1.178 31.125 32.600 -0.495 0.000 1.353 98 M HN 0.568 nan 8.290 nan 0.000 0.410 99 I N -1.675 118.671 120.570 -0.374 0.000 2.315 99 I HA -0.112 3.979 4.170 -0.132 0.000 0.248 99 I C 2.099 178.247 176.117 0.052 0.000 1.117 99 I CA 1.495 62.701 61.300 -0.157 0.000 1.404 99 I CB -1.535 36.316 38.000 -0.248 0.000 1.071 99 I HN 0.056 nan 8.210 nan 0.000 0.419 100 T N 1.252 115.813 114.554 0.011 0.000 2.777 100 T HA -0.023 4.247 4.350 -0.132 0.000 0.266 100 T C 1.959 176.749 174.700 0.150 0.000 1.040 100 T CA 1.595 63.751 62.100 0.094 0.000 1.141 100 T CB -1.040 67.850 68.868 0.036 0.000 0.868 100 T HN 0.638 nan 8.240 nan 0.000 0.444 101 G N 0.799 109.680 108.800 0.135 0.000 2.421 101 G HA2 -0.306 3.574 3.960 -0.132 0.000 0.216 101 G HA3 -0.306 3.574 3.960 -0.132 0.000 0.216 101 G C 1.319 176.464 174.900 0.409 0.000 1.171 101 G CA 1.322 46.598 45.100 0.293 0.000 0.775 101 G HN 0.602 nan 8.290 nan 0.000 0.543 102 H N 0.938 120.211 119.070 0.339 0.000 2.290 102 H HA -0.034 4.442 4.556 -0.133 0.000 0.298 102 H C 2.641 178.030 175.328 0.100 0.000 1.087 102 H CA 2.310 58.500 56.048 0.237 0.000 1.291 102 H CB -0.778 29.095 29.762 0.184 0.000 1.369 102 H HN 0.212 nan 8.280 nan 0.000 0.492 103 G N 0.479 109.189 108.800 -0.151 0.000 2.421 103 G HA2 -0.186 3.694 3.960 -0.132 0.000 0.216 103 G HA3 -0.186 3.694 3.960 -0.132 0.000 0.216 103 G C 1.959 176.741 174.900 -0.196 0.000 1.171 103 G CA 1.019 45.904 45.100 -0.358 0.000 0.775 103 G HN 0.482 nan 8.290 nan 0.000 0.543 104 I N 0.487 121.153 120.570 0.161 0.000 2.142 104 I HA -0.155 3.936 4.170 -0.132 0.000 0.240 104 I C 2.781 179.134 176.117 0.393 0.000 1.078 104 I CA 0.723 62.260 61.300 0.394 0.000 1.343 104 I CB -0.291 37.962 38.000 0.421 0.000 1.046 104 I HN 0.131 nan 8.210 nan 0.000 0.405 105 L N -0.417 121.002 121.223 0.327 0.000 1.990 105 L HA -0.283 3.977 4.340 -0.132 0.000 0.213 105 L C 2.760 179.733 176.870 0.170 0.000 1.072 105 L CA 1.308 56.359 54.840 0.352 0.000 0.755 105 L CB -0.586 41.578 42.059 0.174 0.000 0.889 105 L HN 0.304 nan 8.230 nan 0.000 0.432 106 M N -1.146 118.418 119.600 -0.061 0.000 2.086 106 M HA -0.184 4.216 4.480 -0.132 0.000 0.261 106 M C 2.270 178.397 176.300 -0.288 0.000 1.067 106 M CA 1.818 57.002 55.300 -0.193 0.000 1.116 106 M CB -0.840 31.540 32.600 -0.366 0.000 1.348 106 M HN 0.250 nan 8.290 nan 0.000 0.407 107 M N -1.816 117.516 119.600 -0.445 0.000 2.419 107 M HA -0.021 4.380 4.480 -0.132 0.000 0.264 107 M C 1.525 177.365 176.300 -0.767 0.000 1.082 107 M CA 1.231 56.097 55.300 -0.724 0.000 1.119 107 M CB -0.855 31.051 32.600 -1.157 0.000 1.398 107 M HN 0.134 nan 8.290 nan 0.000 0.453 108 F N -2.346 117.426 119.950 -0.296 0.000 2.711 108 F HA 0.170 4.618 4.527 -0.132 0.000 0.296 108 F C 1.101 176.495 175.800 -0.676 0.000 1.096 108 F CA 0.116 57.767 58.000 -0.583 0.000 1.280 108 F CB 0.185 38.621 39.000 -0.940 0.000 1.060 108 F HN -0.115 nan 8.300 nan 0.000 0.608 109 F N -1.606 118.502 119.950 0.264 0.000 2.729 109 F HA 0.331 4.778 4.527 -0.132 0.000 0.315 109 F C 0.977 176.947 175.800 0.283 0.000 1.102 109 F CA -0.176 58.051 58.000 0.378 0.000 1.204 109 F CB -0.118 39.107 39.000 0.375 0.000 1.052 109 F HN -0.284 nan 8.300 nan 0.000 0.551 110 V N -1.131 118.906 119.914 0.205 0.000 3.671 110 V HA -0.009 4.031 4.120 -0.132 0.000 0.202 110 V C 2.022 178.134 176.094 0.029 0.000 1.188 110 V CA 0.879 63.258 62.300 0.133 0.000 1.325 110 V CB -0.182 31.684 31.823 0.073 0.000 1.470 110 V HN -0.030 nan 8.190 nan 0.000 0.520 111 V N -0.906 118.976 119.914 -0.054 0.000 2.453 111 V HA -0.054 3.986 4.120 -0.132 0.000 0.247 111 V C 2.111 178.168 176.094 -0.060 0.000 1.048 111 V CA 1.797 64.054 62.300 -0.071 0.000 1.049 111 V CB -0.713 31.039 31.823 -0.118 0.000 0.672 111 V HN 0.461 nan 8.190 nan 0.000 0.457 112 I N 0.495 121.003 120.570 -0.103 0.000 2.233 112 I HA -0.030 4.060 4.170 -0.132 0.000 0.243 112 I C 0.025 176.100 176.117 -0.069 0.000 1.093 112 I CA 1.325 62.571 61.300 -0.090 0.000 1.380 112 I CB -1.419 36.481 38.000 -0.167 0.000 1.067 112 I HN 0.312 nan 8.210 nan 0.000 0.413 113 P HA -0.216 nan 4.420 nan 0.000 0.216 113 P C 1.400 178.636 177.300 -0.107 0.000 1.150 113 P CA 1.920 64.872 63.100 -0.246 0.000 0.843 113 P CB -0.010 31.434 31.700 -0.426 0.000 0.787 114 A N -1.121 121.684 122.820 -0.024 0.000 1.854 114 A HA -0.114 4.127 4.320 -0.132 0.000 0.214 114 A C 2.202 179.783 177.584 -0.006 0.000 1.192 114 A CA 1.340 53.360 52.037 -0.029 0.000 0.611 114 A CB -1.487 17.508 19.000 -0.008 0.000 0.832 114 A HN 0.095 nan 8.150 nan 0.000 0.442 115 L N -2.635 118.659 121.223 0.119 0.000 2.068 115 L HA -0.021 4.240 4.340 -0.132 0.000 0.204 115 L C 2.452 179.526 176.870 0.340 0.000 1.076 115 L CA 1.426 56.454 54.840 0.312 0.000 0.753 115 L CB -0.409 41.803 42.059 0.256 0.000 0.910 115 L HN 0.492 nan 8.230 nan 0.000 0.439 116 F N 0.260 120.224 119.950 0.024 0.000 2.164 116 F HA 0.095 4.541 4.527 -0.134 0.000 0.287 116 F C 2.270 177.978 175.800 -0.155 0.000 1.086 116 F CA 1.293 59.272 58.000 -0.036 0.000 1.249 116 F CB -0.662 38.280 39.000 -0.097 0.000 1.059 116 F HN -0.064 nan 8.300 nan 0.000 0.490 117 G N -0.400 108.235 108.800 -0.275 0.000 2.422 117 G HA2 -0.121 3.759 3.960 -0.132 0.000 0.218 117 G HA3 -0.121 3.759 3.960 -0.132 0.000 0.218 117 G C 1.687 176.302 174.900 -0.475 0.000 1.146 117 G CA 0.837 45.383 45.100 -0.923 0.000 0.769 117 G HN 0.630 nan 8.290 nan 0.000 0.547 118 G N 0.242 108.930 108.800 -0.187 0.000 2.655 118 G HA2 0.155 4.035 3.960 -0.132 0.000 0.217 118 G HA3 0.155 4.035 3.960 -0.132 0.000 0.217 118 G C 1.428 176.308 174.900 -0.034 0.000 1.279 118 G CA 0.400 45.439 45.100 -0.100 0.000 0.870 118 G HN 0.186 nan 8.290 nan 0.000 0.560 119 F N 2.135 122.192 119.950 0.180 0.000 2.171 119 F HA 0.062 4.511 4.527 -0.130 0.000 0.300 119 F C 2.888 178.922 175.800 0.389 0.000 1.090 119 F CA 0.707 58.870 58.000 0.272 0.000 1.293 119 F CB -0.926 38.258 39.000 0.306 0.000 1.013 119 F HN 0.208 nan 8.300 nan 0.000 0.486 120 G N 0.240 109.326 108.800 0.477 0.000 2.514 120 G HA2 -0.302 3.579 3.960 -0.132 0.000 0.217 120 G HA3 -0.302 3.579 3.960 -0.132 0.000 0.217 120 G C 1.761 176.690 174.900 0.048 0.000 1.198 120 G CA 1.127 46.330 45.100 0.173 0.000 0.780 120 G HN 0.267 nan 8.290 nan 0.000 0.565 121 N N -0.570 118.105 118.700 -0.041 0.000 2.166 121 N HA -0.109 4.551 4.740 -0.132 0.000 0.186 121 N C 1.904 177.479 175.510 0.107 0.000 1.019 121 N CA 1.072 54.123 53.050 0.002 0.000 0.856 121 N CB -0.322 38.176 38.487 0.018 0.000 0.993 121 N HN 0.433 nan 8.380 nan 0.000 0.426 122 Y N -0.068 120.192 120.300 -0.067 0.000 2.163 122 Y HA -0.100 4.370 4.550 -0.133 0.000 0.288 122 Y C 1.664 177.269 175.900 -0.491 0.000 1.136 122 Y CA 1.571 59.461 58.100 -0.350 0.000 1.147 122 Y CB -0.233 37.848 38.460 -0.632 0.000 0.987 122 Y HN -0.089 nan 8.280 nan 0.000 0.509 123 F N -2.254 117.736 119.950 0.068 0.000 2.559 123 F HA -0.023 4.425 4.527 -0.131 0.000 0.286 123 F C 2.315 177.972 175.800 -0.239 0.000 1.108 123 F CA 0.453 58.290 58.000 -0.271 0.000 1.436 123 F CB -0.529 37.970 39.000 -0.835 0.000 1.130 123 F HN -0.022 nan 8.300 nan 0.000 0.584 124 M N 1.597 121.344 119.600 0.245 0.000 2.082 124 M HA -0.134 4.266 4.480 -0.132 0.000 0.258 124 M C -1.032 175.303 176.300 0.059 0.000 1.069 124 M CA 2.366 57.792 55.300 0.210 0.000 1.102 124 M CB -1.725 30.947 32.600 0.120 0.000 1.336 124 M HN -0.083 nan 8.290 nan 0.000 0.404 125 P HA -0.109 nan 4.420 nan 0.000 0.215 125 P C 1.867 179.134 177.300 -0.055 0.000 1.153 125 P CA 1.258 64.228 63.100 -0.216 0.000 0.853 125 P CB -0.281 31.021 31.700 -0.663 0.000 0.788 126 L N -1.517 119.739 121.223 0.056 0.000 2.042 126 L HA -0.230 4.031 4.340 -0.132 0.000 0.210 126 L C 2.488 179.537 176.870 0.298 0.000 1.076 126 L CA 1.799 56.813 54.840 0.291 0.000 0.749 126 L CB -1.267 40.884 42.059 0.153 0.000 0.893 126 L HN 0.177 nan 8.230 nan 0.000 0.432 127 H N -0.116 119.096 119.070 0.238 0.000 2.457 127 H HA -0.080 4.397 4.556 -0.132 0.000 0.294 127 H C 2.091 177.445 175.328 0.043 0.000 1.064 127 H CA 1.245 57.429 56.048 0.228 0.000 1.330 127 H CB 0.128 30.114 29.762 0.373 0.000 1.395 127 H HN 0.473 nan 8.280 nan 0.000 0.541 128 I N -3.590 116.997 120.570 0.027 0.000 3.956 128 I HA 0.382 4.473 4.170 -0.132 0.000 0.333 128 I C 1.270 177.188 176.117 -0.331 0.000 1.302 128 I CA 0.461 61.647 61.300 -0.191 0.000 1.122 128 I CB 0.701 38.507 38.000 -0.324 0.000 1.013 128 I HN 0.172 nan 8.210 nan 0.000 0.405 129 G N 1.872 110.380 108.800 -0.486 0.000 2.147 129 G HA2 -0.215 3.665 3.960 -0.132 0.000 0.244 129 G HA3 -0.215 3.665 3.960 -0.132 0.000 0.244 129 G C 0.313 174.709 174.900 -0.840 0.000 1.005 129 G CA 0.046 44.491 45.100 -1.092 0.000 0.713 129 G HN 0.934 nan 8.290 nan 0.000 0.515 130 A N 0.519 123.081 122.820 -0.430 0.000 2.362 130 A HA 0.748 4.988 4.320 -0.132 0.000 0.276 130 A C -0.137 177.448 177.584 0.003 0.000 1.153 130 A CA -0.744 51.162 52.037 -0.218 0.000 0.813 130 A CB 0.891 19.764 19.000 -0.212 0.000 1.081 130 A HN 0.137 nan 8.150 nan 0.000 0.507 131 P HA 0.138 nan 4.420 nan 0.000 0.231 131 P C 0.289 177.639 177.300 0.083 0.000 1.168 131 P CA 1.530 64.746 63.100 0.194 0.000 0.779 131 P CB 0.311 32.089 31.700 0.129 0.000 0.844 132 A N -1.122 121.685 122.820 -0.022 0.000 2.599 132 A HA 0.704 4.945 4.320 -0.132 0.000 0.290 132 A C -0.845 176.657 177.584 -0.137 0.000 1.101 132 A CA -0.716 51.294 52.037 -0.045 0.000 0.674 132 A CB 0.822 19.814 19.000 -0.014 0.000 1.277 132 A HN -0.145 nan 8.150 nan 0.000 0.419 133 M N 0.989 120.515 119.600 -0.123 0.000 2.409 133 M HA 0.448 4.849 4.480 -0.132 0.000 0.329 133 M C 1.510 177.708 176.300 -0.169 0.000 1.180 133 M CA -0.099 55.115 55.300 -0.143 0.000 1.053 133 M CB 1.735 34.279 32.600 -0.093 0.000 1.586 133 M HN 1.016 nan 8.290 nan 0.000 0.461 134 A N 1.789 124.445 122.820 -0.273 0.000 1.927 134 A HA -0.123 4.117 4.320 -0.132 0.000 0.220 134 A C 0.515 177.623 177.584 -0.792 0.000 1.185 134 A CA 1.907 53.573 52.037 -0.617 0.000 0.639 134 A CB -0.358 18.135 19.000 -0.846 0.000 0.820 134 A HN 0.648 nan 8.150 nan 0.000 0.451 135 F N -1.841 118.124 119.950 0.024 0.000 2.622 135 F HA 0.368 4.815 4.527 -0.133 0.000 0.338 135 F C -2.161 173.671 175.800 0.053 0.000 1.334 135 F CA -2.213 55.810 58.000 0.039 0.000 1.179 135 F CB 1.160 40.187 39.000 0.046 0.000 1.471 135 F HN -0.006 nan 8.300 nan 0.000 0.576 136 P HA -0.208 nan 4.420 nan 0.000 0.216 136 P C 1.412 178.807 177.300 0.158 0.000 1.150 136 P CA 1.585 64.764 63.100 0.130 0.000 0.837 136 P CB 0.238 31.987 31.700 0.082 0.000 0.786 137 R N -0.525 120.075 120.500 0.167 0.000 2.075 137 R HA -0.011 4.249 4.340 -0.132 0.000 0.232 137 R C 2.286 178.695 176.300 0.181 0.000 1.126 137 R CA 1.347 57.544 56.100 0.162 0.000 0.963 137 R CB -2.221 28.160 30.300 0.137 0.000 0.858 137 R HN 0.204 nan 8.270 nan 0.000 0.435 138 M N 0.873 120.588 119.600 0.192 0.000 2.159 138 M HA -0.113 4.287 4.480 -0.132 0.000 0.263 138 M C 1.502 177.926 176.300 0.207 0.000 1.063 138 M CA 1.779 57.180 55.300 0.167 0.000 1.110 138 M CB -0.179 32.493 32.600 0.119 0.000 1.374 138 M HN 0.217 nan 8.290 nan 0.000 0.411 139 N N 1.027 119.862 118.700 0.225 0.000 2.084 139 N HA -0.211 4.449 4.740 -0.132 0.000 0.190 139 N C 1.359 177.031 175.510 0.270 0.000 1.030 139 N CA 1.956 55.148 53.050 0.238 0.000 0.849 139 N CB -0.556 38.049 38.487 0.197 0.000 1.012 139 N HN 0.509 nan 8.380 nan 0.000 0.423 140 N N -0.247 118.600 118.700 0.246 0.000 2.120 140 N HA -0.131 4.529 4.740 -0.132 0.000 0.188 140 N C 1.681 177.429 175.510 0.396 0.000 1.024 140 N CA 0.863 54.087 53.050 0.289 0.000 0.852 140 N CB -0.325 38.333 38.487 0.285 0.000 1.003 140 N HN 0.194 nan 8.380 nan 0.000 0.424 141 L N 0.582 122.012 121.223 0.345 0.000 2.046 141 L HA -0.111 4.150 4.340 -0.132 0.000 0.208 141 L C 2.391 179.460 176.870 0.331 0.000 1.077 141 L CA 2.114 57.162 54.840 0.346 0.000 0.747 141 L CB -1.233 40.963 42.059 0.228 0.000 0.896 141 L HN 0.410 nan 8.230 nan 0.000 0.432 142 S N -1.303 114.583 115.700 0.311 0.000 2.374 142 S HA -0.356 4.034 4.470 -0.132 0.000 0.227 142 S C 2.164 177.003 174.600 0.398 0.000 1.037 142 S CA 1.615 60.024 58.200 0.350 0.000 1.024 142 S CB -1.386 62.038 63.200 0.373 0.000 0.861 142 S HN 0.609 nan 8.310 nan 0.000 0.456 143 Y N 0.934 121.341 120.300 0.178 0.000 2.128 143 Y HA -0.096 4.371 4.550 -0.138 0.000 0.284 143 Y C 1.990 177.806 175.900 -0.140 0.000 1.154 143 Y CA 1.480 59.452 58.100 -0.215 0.000 1.149 143 Y CB -0.811 37.314 38.460 -0.557 0.000 0.976 143 Y HN 0.337 nan 8.280 nan 0.000 0.505 144 W N 0.097 121.423 121.300 0.043 0.000 2.402 144 W HA -0.140 4.512 4.660 -0.014 0.000 0.286 144 W C 2.184 178.671 176.519 -0.054 0.000 1.221 144 W CA 0.978 58.285 57.345 -0.064 0.000 1.257 144 W CB -0.275 29.224 29.460 0.064 0.000 1.120 144 W HN 0.071 nan 8.180 nan 0.000 0.551 145 L N -1.095 120.279 121.223 0.253 0.000 2.109 145 L HA -0.239 4.021 4.340 -0.132 0.000 0.207 145 L C 2.390 179.408 176.870 0.247 0.000 1.086 145 L CA 1.050 56.025 54.840 0.226 0.000 0.760 145 L CB -1.119 41.079 42.059 0.232 0.000 0.910 145 L HN 0.059 nan 8.230 nan 0.000 0.437 146 Y N 0.842 121.203 120.300 0.101 0.000 2.128 146 Y HA -0.241 4.231 4.550 -0.130 0.000 0.284 146 Y C 2.343 178.258 175.900 0.024 0.000 1.154 146 Y CA 1.606 59.793 58.100 0.144 0.000 1.149 146 Y CB -0.727 37.819 38.460 0.144 0.000 0.976 146 Y HN -0.137 nan 8.280 nan 0.000 0.505 147 V N 0.851 120.459 119.914 -0.509 0.000 2.343 147 V HA -0.298 3.743 4.120 -0.132 0.000 0.247 147 V C 2.790 178.753 176.094 -0.219 0.000 1.051 147 V CA 1.873 63.849 62.300 -0.539 0.000 1.036 147 V CB -1.733 29.791 31.823 -0.499 0.000 0.654 147 V HN 0.569 nan 8.190 nan 0.000 0.451 148 A N 0.614 123.410 122.820 -0.041 0.000 1.902 148 A HA -0.093 4.148 4.320 -0.132 0.000 0.217 148 A C 2.442 180.023 177.584 -0.004 0.000 1.181 148 A CA 1.966 54.008 52.037 0.008 0.000 0.623 148 A CB -1.285 17.756 19.000 0.069 0.000 0.818 148 A HN 0.523 nan 8.150 nan 0.000 0.443 149 G N -1.030 107.816 108.800 0.076 0.000 2.440 149 G HA2 -0.183 3.698 3.960 -0.132 0.000 0.218 149 G HA3 -0.183 3.698 3.960 -0.132 0.000 0.218 149 G C 1.576 176.250 174.900 -0.377 0.000 1.154 149 G CA 1.705 46.893 45.100 0.146 0.000 0.767 149 G HN 0.439 nan 8.290 nan 0.000 0.552 150 T N 1.297 115.471 114.554 -0.633 0.000 2.746 150 T HA -0.105 4.165 4.350 -0.132 0.000 0.267 150 T C 2.843 177.258 174.700 -0.476 0.000 1.039 150 T CA 1.555 63.086 62.100 -0.950 0.000 1.142 150 T CB -0.296 68.186 68.868 -0.644 0.000 0.866 150 T HN 0.272 nan 8.240 nan 0.000 0.444 151 S N 1.315 116.852 115.700 -0.272 0.000 2.382 151 S HA 0.047 4.437 4.470 -0.132 0.000 0.228 151 S C 2.025 176.584 174.600 -0.068 0.000 1.027 151 S CA 0.824 58.945 58.200 -0.132 0.000 0.991 151 S CB -0.424 62.726 63.200 -0.084 0.000 0.823 151 S HN 0.349 nan 8.310 nan 0.000 0.469 152 L N 0.920 122.108 121.223 -0.058 0.000 2.072 152 L HA -0.069 4.191 4.340 -0.132 0.000 0.205 152 L C 2.829 179.712 176.870 0.022 0.000 1.079 152 L CA 1.055 55.913 54.840 0.031 0.000 0.752 152 L CB -0.758 41.362 42.059 0.102 0.000 0.906 152 L HN 0.331 nan 8.230 nan 0.000 0.436 153 A N -0.166 122.607 122.820 -0.078 0.000 1.883 153 A HA -0.175 4.065 4.320 -0.132 0.000 0.217 153 A C 2.295 179.890 177.584 0.017 0.000 1.186 153 A CA 1.981 53.996 52.037 -0.036 0.000 0.624 153 A CB -0.820 18.088 19.000 -0.154 0.000 0.822 153 A HN 0.213 nan 8.150 nan 0.000 0.444 154 V N -0.295 119.618 119.914 -0.002 0.000 2.358 154 V HA -0.192 3.849 4.120 -0.132 0.000 0.246 154 V C 3.048 179.282 176.094 0.234 0.000 1.047 154 V CA 1.747 64.119 62.300 0.121 0.000 1.035 154 V CB -1.242 30.644 31.823 0.104 0.000 0.658 154 V HN 0.622 nan 8.190 nan 0.000 0.452 155 A N 0.972 123.898 122.820 0.177 0.000 1.940 155 A HA -0.260 3.980 4.320 -0.132 0.000 0.219 155 A C 2.569 180.270 177.584 0.195 0.000 1.176 155 A CA 2.446 54.616 52.037 0.221 0.000 0.631 155 A CB -0.879 18.205 19.000 0.141 0.000 0.814 155 A HN 0.710 nan 8.150 nan 0.000 0.446 156 S N 0.167 115.934 115.700 0.112 0.000 2.400 156 S HA -0.150 4.241 4.470 -0.132 0.000 0.232 156 S C 1.800 176.386 174.600 -0.025 0.000 1.025 156 S CA 1.558 59.786 58.200 0.045 0.000 0.993 156 S CB -0.829 62.392 63.200 0.035 0.000 0.808 156 S HN 0.481 nan 8.310 nan 0.000 0.478 157 L N -0.931 120.247 121.223 -0.075 0.000 2.191 157 L HA 0.063 4.323 4.340 -0.132 0.000 0.212 157 L C 1.444 178.005 176.870 -0.516 0.000 1.103 157 L CA 1.129 55.766 54.840 -0.338 0.000 0.769 157 L CB -0.489 41.260 42.059 -0.516 0.000 0.908 157 L HN 0.313 nan 8.230 nan 0.000 0.438 158 F N -0.373 119.576 119.950 -0.001 0.000 2.639 158 F HA 0.382 4.829 4.527 -0.132 0.000 0.302 158 F C 1.014 176.796 175.800 -0.030 0.000 1.097 158 F CA -0.496 57.500 58.000 -0.006 0.000 1.294 158 F CB -0.105 38.896 39.000 0.001 0.000 1.027 158 F HN -0.144 nan 8.300 nan 0.000 0.550 159 A N 0.377 123.213 122.820 0.026 0.000 2.312 159 A HA 0.653 4.893 4.320 -0.132 0.000 0.328 159 A C -2.483 174.948 177.584 -0.255 0.000 1.158 159 A CA -1.908 50.045 52.037 -0.140 0.000 0.821 159 A CB 0.201 19.069 19.000 -0.220 0.000 1.170 159 A HN -0.119 nan 8.150 nan 0.000 0.490 160 P HA 0.136 nan 4.420 nan 0.000 0.257 160 P C 0.468 177.594 177.300 -0.290 0.000 1.162 160 P CA 1.177 64.104 63.100 -0.288 0.000 0.762 160 P CB 0.544 32.072 31.700 -0.287 0.000 0.753 161 G N 2.345 111.055 108.800 -0.151 0.000 3.247 161 G HA2 0.608 4.488 3.960 -0.132 0.000 0.226 161 G HA3 0.608 4.488 3.960 -0.132 0.000 0.226 161 G C -0.178 174.664 174.900 -0.098 0.000 1.220 161 G CA -0.487 44.561 45.100 -0.086 0.000 0.875 161 G HN 0.552 nan 8.290 nan 0.000 0.606 162 G N -0.718 108.059 108.800 -0.037 0.000 2.554 162 G HA2 0.325 4.206 3.960 -0.132 0.000 0.238 162 G HA3 0.325 4.206 3.960 -0.132 0.000 0.238 162 G C 0.460 175.121 174.900 -0.399 0.000 1.259 162 G CA 0.583 45.613 45.100 -0.116 0.000 0.843 162 G HN 0.893 nan 8.290 nan 0.000 0.582 163 N N -0.293 118.271 118.700 -0.227 0.000 2.714 163 N HA -0.248 4.412 4.740 -0.132 0.000 0.250 163 N C 1.417 176.803 175.510 -0.206 0.000 1.117 163 N CA 1.726 54.648 53.050 -0.213 0.000 0.719 163 N CB -1.229 37.112 38.487 -0.243 0.000 1.081 163 N HN 1.943 nan 8.380 nan 0.000 0.557 164 G N -0.645 108.054 108.800 -0.168 0.000 2.168 164 G HA2 -0.347 3.534 3.960 -0.132 0.000 0.257 164 G HA3 -0.347 3.534 3.960 -0.132 0.000 0.257 164 G C 0.129 174.954 174.900 -0.124 0.000 0.997 164 G CA 1.257 46.288 45.100 -0.115 0.000 0.708 164 G HN 0.611 nan 8.290 nan 0.000 0.520 165 Q N -1.434 118.238 119.800 -0.214 0.000 2.990 165 Q HA 0.790 5.050 4.340 -0.132 0.000 0.255 165 Q C 0.480 176.432 176.000 -0.080 0.000 1.040 165 Q CA -1.086 54.633 55.803 -0.139 0.000 0.897 165 Q CB 1.051 29.694 28.738 -0.158 0.000 1.429 165 Q HN 0.287 nan 8.270 nan 0.000 0.497 166 L N 0.274 121.507 121.223 0.018 0.000 2.360 166 L HA 0.664 4.925 4.340 -0.132 0.000 0.271 166 L C 0.481 177.413 176.870 0.104 0.000 1.057 166 L CA -0.389 54.462 54.840 0.018 0.000 0.803 166 L CB 0.943 43.003 42.059 0.001 0.000 1.207 166 L HN 0.880 nan 8.230 nan 0.000 0.445 167 G N 1.477 110.284 108.800 0.012 0.000 2.758 167 G HA2 -0.174 3.706 3.960 -0.132 0.000 0.686 167 G HA3 -0.174 3.706 3.960 -0.132 0.000 0.686 167 G C -0.651 174.286 174.900 0.062 0.000 1.389 167 G CA -0.780 44.309 45.100 -0.018 0.000 0.845 167 G HN 0.560 nan 8.290 nan 0.000 0.572 168 S N 0.208 115.897 115.700 -0.018 0.000 2.422 168 S HA 0.610 5.000 4.470 -0.132 0.000 0.308 168 S C 0.774 175.333 174.600 -0.069 0.000 1.097 168 S CA 0.197 58.400 58.200 0.004 0.000 1.099 168 S CB 1.778 64.972 63.200 -0.011 0.000 0.976 168 S HN 1.746 nan 8.310 nan 0.000 0.471 169 G N 2.264 111.025 108.800 -0.064 0.000 3.714 169 G HA2 0.455 4.336 3.960 -0.132 0.000 0.276 169 G HA3 0.455 4.336 3.960 -0.132 0.000 0.276 169 G C 0.490 175.386 174.900 -0.006 0.000 1.058 169 G CA -0.562 44.469 45.100 -0.115 0.000 1.700 169 G HN 0.861 nan 8.290 nan 0.000 0.605 170 I N -1.563 119.003 120.570 -0.006 0.000 4.338 170 I HA 0.531 4.622 4.170 -0.132 0.000 0.329 170 I C 0.718 176.822 176.117 -0.021 0.000 1.378 170 I CA -0.151 61.147 61.300 -0.004 0.000 1.170 170 I CB 0.406 38.395 38.000 -0.018 0.000 1.206 170 I HN 0.421 nan 8.210 nan 0.000 0.432 171 G N 2.221 111.027 108.800 0.010 0.000 2.716 171 G HA2 -0.271 3.609 3.960 -0.132 0.000 0.686 171 G HA3 -0.271 3.609 3.960 -0.132 0.000 0.686 171 G C -0.002 174.920 174.900 0.037 0.000 1.337 171 G CA -0.047 45.066 45.100 0.022 0.000 0.829 171 G HN 0.642 nan 8.290 nan 0.000 0.599 172 W N 1.059 122.337 121.300 -0.037 0.000 2.465 172 W HA 0.040 4.619 4.660 -0.134 0.000 0.268 172 W C 1.489 178.012 176.519 0.007 0.000 1.242 172 W CA 1.954 59.301 57.345 0.003 0.000 1.248 172 W CB -1.127 28.328 29.460 -0.008 0.000 1.118 172 W HN 1.120 nan 8.180 nan 0.000 0.587 173 V N -0.393 119.077 119.914 -0.741 0.000 3.647 173 V HA 0.180 4.221 4.120 -0.132 0.000 0.279 173 V C 1.401 177.363 176.094 -0.220 0.000 1.314 173 V CA 0.240 62.068 62.300 -0.788 0.000 1.125 173 V CB -1.105 30.068 31.823 -1.084 0.000 0.907 173 V HN 0.197 nan 8.190 nan 0.000 0.434 174 L N -1.550 119.571 121.223 -0.171 0.000 3.634 174 L HA -0.214 4.047 4.340 -0.132 0.000 0.423 174 L C -0.143 176.606 176.870 -0.201 0.000 1.253 174 L CA 0.011 54.772 54.840 -0.131 0.000 0.885 174 L CB -2.767 39.215 42.059 -0.129 0.000 1.789 174 L HN 0.328 nan 8.230 nan 0.000 0.904 175 Y N 1.350 121.474 120.300 -0.294 0.000 2.805 175 Y HA 0.155 4.625 4.550 -0.133 0.000 0.331 175 Y C -1.114 174.550 175.900 -0.393 0.000 1.241 175 Y CA -1.999 55.890 58.100 -0.351 0.000 1.546 175 Y CB -0.160 38.236 38.460 -0.108 0.000 1.248 175 Y HN 0.112 nan 8.280 nan 0.000 0.559 176 P HA 0.232 nan 4.420 nan 0.000 0.280 176 P C -2.306 174.942 177.300 -0.087 0.000 1.272 176 P CA -2.021 60.938 63.100 -0.237 0.000 0.819 176 P CB 1.166 32.687 31.700 -0.298 0.000 1.122 177 P HA -0.012 nan 4.420 nan 0.000 0.234 177 P C 1.560 178.863 177.300 0.004 0.000 1.167 177 P CA 0.246 63.355 63.100 0.016 0.000 0.763 177 P CB -0.154 31.572 31.700 0.044 0.000 0.835 178 L N 0.771 121.998 121.223 0.008 0.000 2.012 178 L HA -0.221 4.040 4.340 -0.132 0.000 0.210 178 L C 2.259 179.122 176.870 -0.012 0.000 1.073 178 L CA 2.520 57.368 54.840 0.013 0.000 0.748 178 L CB -1.341 40.739 42.059 0.035 0.000 0.891 178 L HN 0.028 nan 8.230 nan 0.000 0.431 179 S N -2.287 113.380 115.700 -0.055 0.000 2.402 179 S HA -0.172 4.218 4.470 -0.132 0.000 0.229 179 S C 1.857 176.422 174.600 -0.057 0.000 1.021 179 S CA 1.284 59.437 58.200 -0.078 0.000 0.974 179 S CB -1.419 61.687 63.200 -0.156 0.000 0.800 179 S HN 0.679 nan 8.310 nan 0.000 0.484 180 T N 0.249 114.779 114.554 -0.041 0.000 3.043 180 T HA 0.072 4.343 4.350 -0.132 0.000 0.263 180 T C 1.861 176.561 174.700 -0.001 0.000 1.094 180 T CA 0.912 63.010 62.100 -0.004 0.000 1.127 180 T CB -0.493 68.404 68.868 0.048 0.000 0.905 180 T HN 0.608 nan 8.240 nan 0.000 0.490 181 S N 0.041 115.742 115.700 0.001 0.000 2.535 181 S HA 0.208 4.598 4.470 -0.132 0.000 0.214 181 S C 0.476 175.076 174.600 0.000 0.000 0.980 181 S CA -0.453 57.749 58.200 0.004 0.000 0.907 181 S CB -0.306 62.901 63.200 0.012 0.000 0.790 181 S HN 0.516 nan 8.310 nan 0.000 0.510 182 E N 3.455 123.654 120.200 -0.002 0.000 2.480 182 E HA 0.199 4.470 4.350 -0.132 0.000 0.258 182 E C 0.255 176.849 176.600 -0.010 0.000 0.984 182 E CA 0.028 56.429 56.400 0.002 0.000 0.930 182 E CB 0.492 30.197 29.700 0.008 0.000 0.936 182 E HN 0.517 nan 8.360 nan 0.000 0.466 183 S N 3.110 118.799 115.700 -0.018 0.000 2.645 183 S HA 0.740 5.131 4.470 -0.132 0.000 0.266 183 S C 0.814 175.392 174.600 -0.037 0.000 1.258 183 S CA -0.423 57.763 58.200 -0.024 0.000 0.990 183 S CB 1.114 64.296 63.200 -0.029 0.000 0.967 183 S HN 1.122 nan 8.310 nan 0.000 0.556 184 G N 0.540 109.327 108.800 -0.021 0.000 2.698 184 G HA2 -0.211 3.669 3.960 -0.132 0.000 0.233 184 G HA3 -0.211 3.669 3.960 -0.132 0.000 0.233 184 G C -0.192 174.714 174.900 0.010 0.000 1.352 184 G CA 0.313 45.388 45.100 -0.041 0.000 0.879 184 G HN 1.904 nan 8.290 nan 0.000 0.567 185 Y N -2.160 118.132 120.300 -0.013 0.000 2.557 185 Y HA 0.619 5.089 4.550 -0.133 0.000 0.247 185 Y C 2.324 178.210 175.900 -0.023 0.000 1.164 185 Y CA 0.788 58.872 58.100 -0.028 0.000 1.218 185 Y CB -0.285 38.168 38.460 -0.012 0.000 1.210 185 Y HN 0.839 nan 8.280 nan 0.000 0.529 186 S N 1.002 116.554 115.700 -0.246 0.000 2.372 186 S HA -0.257 4.134 4.470 -0.132 0.000 0.227 186 S C 1.802 176.374 174.600 -0.046 0.000 1.044 186 S CA 2.677 60.796 58.200 -0.135 0.000 1.050 186 S CB -0.686 62.438 63.200 -0.127 0.000 0.901 186 S HN 0.668 nan 8.310 nan 0.000 0.447 187 T N 1.827 116.351 114.554 -0.050 0.000 2.867 187 T HA -0.061 4.209 4.350 -0.132 0.000 0.268 187 T C 1.396 176.031 174.700 -0.108 0.000 1.057 187 T CA 1.363 63.427 62.100 -0.060 0.000 1.136 187 T CB -0.465 68.370 68.868 -0.055 0.000 0.874 187 T HN 0.526 nan 8.240 nan 0.000 0.466 188 D N 1.343 121.670 120.400 -0.123 0.000 2.117 188 D HA 0.002 4.562 4.640 -0.132 0.000 0.198 188 D C 2.198 178.245 176.300 -0.422 0.000 0.982 188 D CA 0.729 54.536 54.000 -0.321 0.000 0.828 188 D CB -0.231 40.419 40.800 -0.251 0.000 0.967 188 D HN 0.330 nan 8.370 nan 0.000 0.464 189 L N 1.039 122.219 121.223 -0.072 0.000 2.042 189 L HA -0.180 4.081 4.340 -0.132 0.000 0.210 189 L C 2.677 179.589 176.870 0.070 0.000 1.076 189 L CA 1.128 56.027 54.840 0.099 0.000 0.749 189 L CB -0.450 41.711 42.059 0.170 0.000 0.893 189 L HN -0.013 nan 8.230 nan 0.000 0.432 190 A N 0.250 123.073 122.820 0.004 0.000 1.898 190 A HA -0.166 4.075 4.320 -0.132 0.000 0.216 190 A C 2.186 179.749 177.584 -0.035 0.000 1.181 190 A CA 1.400 53.444 52.037 0.011 0.000 0.620 190 A CB -0.600 18.399 19.000 -0.002 0.000 0.819 190 A HN 0.344 nan 8.150 nan 0.000 0.442 191 I N -1.402 119.096 120.570 -0.120 0.000 2.226 191 I HA -0.248 3.843 4.170 -0.132 0.000 0.245 191 I C 2.178 178.304 176.117 0.016 0.000 1.100 191 I CA 1.191 62.395 61.300 -0.161 0.000 1.374 191 I CB -0.376 37.493 38.000 -0.219 0.000 1.057 191 I HN 0.260 nan 8.210 nan 0.000 0.413 192 F N 1.038 121.057 119.950 0.116 0.000 2.134 192 F HA -0.165 4.288 4.527 -0.125 0.000 0.299 192 F C 2.642 178.526 175.800 0.140 0.000 1.097 192 F CA 0.854 58.961 58.000 0.178 0.000 1.264 192 F CB -1.485 37.598 39.000 0.138 0.000 1.001 192 F HN 0.019 nan 8.300 nan 0.000 0.479 193 A N 0.183 123.174 122.820 0.286 0.000 1.892 193 A HA -0.183 4.058 4.320 -0.132 0.000 0.218 193 A C 2.453 180.197 177.584 0.267 0.000 1.188 193 A CA 2.375 54.573 52.037 0.268 0.000 0.631 193 A CB -1.290 17.844 19.000 0.224 0.000 0.822 193 A HN 0.184 nan 8.150 nan 0.000 0.447 194 V N -0.490 119.422 119.914 -0.005 0.000 2.427 194 V HA -0.237 3.804 4.120 -0.132 0.000 0.248 194 V C 2.442 178.411 176.094 -0.209 0.000 1.051 194 V CA 1.998 64.075 62.300 -0.372 0.000 1.048 194 V CB -1.108 30.298 31.823 -0.696 0.000 0.666 194 V HN 0.634 nan 8.190 nan 0.000 0.456 195 H N -0.023 119.041 119.070 -0.010 0.000 2.319 195 H HA -0.107 4.370 4.556 -0.133 0.000 0.299 195 H C 2.323 177.693 175.328 0.070 0.000 1.092 195 H CA 1.889 57.962 56.048 0.042 0.000 1.302 195 H CB -0.281 29.559 29.762 0.130 0.000 1.373 195 H HN 0.331 nan 8.280 nan 0.000 0.497 196 L N -0.342 121.035 121.223 0.256 0.000 2.083 196 L HA -0.161 4.099 4.340 -0.132 0.000 0.209 196 L C 2.837 179.855 176.870 0.246 0.000 1.083 196 L CA 1.149 56.126 54.840 0.228 0.000 0.752 196 L CB -0.422 41.775 42.059 0.231 0.000 0.899 196 L HN 0.179 nan 8.230 nan 0.000 0.433 197 S N 0.221 116.067 115.700 0.242 0.000 2.353 197 S HA -0.166 4.225 4.470 -0.132 0.000 0.222 197 S C 2.097 176.777 174.600 0.134 0.000 1.035 197 S CA 1.553 59.863 58.200 0.183 0.000 1.025 197 S CB -0.590 62.562 63.200 -0.080 0.000 0.902 197 S HN 0.507 nan 8.310 nan 0.000 0.440 198 G N 0.871 109.717 108.800 0.077 0.000 2.469 198 G HA2 -0.127 3.754 3.960 -0.132 0.000 0.219 198 G HA3 -0.127 3.754 3.960 -0.132 0.000 0.219 198 G C 1.695 176.659 174.900 0.106 0.000 1.150 198 G CA 1.190 46.335 45.100 0.074 0.000 0.763 198 G HN 0.747 nan 8.290 nan 0.000 0.561 199 A N 0.542 123.439 122.820 0.129 0.000 1.877 199 A HA -0.027 4.213 4.320 -0.132 0.000 0.216 199 A C 2.657 180.331 177.584 0.150 0.000 1.186 199 A CA 2.373 54.485 52.037 0.126 0.000 0.620 199 A CB -0.993 18.082 19.000 0.125 0.000 0.822 199 A HN 0.483 nan 8.150 nan 0.000 0.443 200 S N -0.349 115.468 115.700 0.194 0.000 2.365 200 S HA -0.169 4.222 4.470 -0.132 0.000 0.225 200 S C 2.236 176.967 174.600 0.218 0.000 1.039 200 S CA 2.184 60.532 58.200 0.247 0.000 1.033 200 S CB -0.441 62.956 63.200 0.328 0.000 0.887 200 S HN 0.565 nan 8.310 nan 0.000 0.447 201 S N 0.871 116.666 115.700 0.160 0.000 2.368 201 S HA 0.076 4.467 4.470 -0.132 0.000 0.224 201 S C 1.762 176.426 174.600 0.108 0.000 1.029 201 S CA 1.289 59.553 58.200 0.106 0.000 0.988 201 S CB -0.387 62.825 63.200 0.021 0.000 0.838 201 S HN 0.524 nan 8.310 nan 0.000 0.462 202 I N 1.377 122.004 120.570 0.096 0.000 2.202 202 I HA -0.160 3.931 4.170 -0.132 0.000 0.242 202 I C 2.062 178.229 176.117 0.084 0.000 1.091 202 I CA 0.997 62.341 61.300 0.073 0.000 1.368 202 I CB -0.304 37.734 38.000 0.063 0.000 1.058 202 I HN 0.227 nan 8.210 nan 0.000 0.410 203 L N 0.198 121.484 121.223 0.106 0.000 2.012 203 L HA -0.182 4.079 4.340 -0.132 0.000 0.210 203 L C 2.699 179.656 176.870 0.146 0.000 1.073 203 L CA 1.766 56.668 54.840 0.105 0.000 0.748 203 L CB -1.412 40.723 42.059 0.127 0.000 0.891 203 L HN 0.351 nan 8.230 nan 0.000 0.431 204 G N -0.326 108.597 108.800 0.205 0.000 2.476 204 G HA2 -0.303 3.578 3.960 -0.132 0.000 0.218 204 G HA3 -0.303 3.578 3.960 -0.132 0.000 0.218 204 G C 1.761 176.811 174.900 0.252 0.000 1.164 204 G CA 0.971 46.211 45.100 0.234 0.000 0.768 204 G HN 0.492 nan 8.290 nan 0.000 0.560 205 A N 0.593 123.588 122.820 0.292 0.000 1.902 205 A HA 0.028 4.268 4.320 -0.132 0.000 0.217 205 A C 2.429 180.029 177.584 0.027 0.000 1.181 205 A CA 1.390 53.550 52.037 0.205 0.000 0.623 205 A CB -0.347 18.679 19.000 0.044 0.000 0.818 205 A HN 0.403 nan 8.150 nan 0.000 0.443 206 I N -0.369 120.219 120.570 0.030 0.000 2.179 206 I HA -0.263 3.828 4.170 -0.132 0.000 0.242 206 I C 2.471 178.675 176.117 0.146 0.000 1.088 206 I CA 1.583 62.896 61.300 0.022 0.000 1.357 206 I CB -0.462 37.537 38.000 -0.002 0.000 1.051 206 I HN 0.384 nan 8.210 nan 0.000 0.409 207 N N 0.946 119.769 118.700 0.206 0.000 2.036 207 N HA -0.221 4.439 4.740 -0.132 0.000 0.195 207 N C 1.853 177.438 175.510 0.124 0.000 1.037 207 N CA 1.866 55.071 53.050 0.257 0.000 0.855 207 N CB -0.094 38.521 38.487 0.212 0.000 1.033 207 N HN 0.104 nan 8.380 nan 0.000 0.423 208 M N -0.096 119.543 119.600 0.066 0.000 2.117 208 M HA -0.085 4.316 4.480 -0.132 0.000 0.262 208 M C 2.231 178.613 176.300 0.136 0.000 1.065 208 M CA 1.066 56.391 55.300 0.041 0.000 1.114 208 M CB -0.961 31.630 32.600 -0.015 0.000 1.361 208 M HN 0.211 nan 8.290 nan 0.000 0.408 209 I N -0.138 120.475 120.570 0.072 0.000 2.252 209 I HA -0.258 3.833 4.170 -0.132 0.000 0.245 209 I C 2.299 178.568 176.117 0.253 0.000 1.102 209 I CA 1.320 62.700 61.300 0.134 0.000 1.385 209 I CB -0.491 37.297 38.000 -0.353 0.000 1.064 209 I HN 0.303 nan 8.210 nan 0.000 0.414 210 T N -0.297 114.354 114.554 0.162 0.000 2.777 210 T HA -0.149 4.122 4.350 -0.132 0.000 0.266 210 T C 1.902 176.632 174.700 0.051 0.000 1.040 210 T CA 1.914 64.096 62.100 0.136 0.000 1.141 210 T CB -0.399 68.576 68.868 0.178 0.000 0.868 210 T HN 0.339 nan 8.240 nan 0.000 0.444 211 T N 1.849 116.416 114.554 0.023 0.000 2.652 211 T HA -0.085 4.186 4.350 -0.132 0.000 0.267 211 T C 1.554 176.245 174.700 -0.016 0.000 1.039 211 T CA 1.185 63.261 62.100 -0.040 0.000 1.153 211 T CB -0.594 68.241 68.868 -0.054 0.000 0.863 211 T HN 0.347 nan 8.240 nan 0.000 0.428 212 F N 1.094 120.988 119.950 -0.093 0.000 2.171 212 F HA 0.016 4.463 4.527 -0.133 0.000 0.300 212 F C 1.868 177.526 175.800 -0.238 0.000 1.090 212 F CA 1.117 58.992 58.000 -0.208 0.000 1.293 212 F CB -0.206 38.640 39.000 -0.256 0.000 1.013 212 F HN 0.069 nan 8.300 nan 0.000 0.486 213 L N -0.599 120.695 121.223 0.118 0.000 2.249 213 L HA -0.059 4.202 4.340 -0.132 0.000 0.207 213 L C 1.473 178.334 176.870 -0.015 0.000 1.090 213 L CA 0.641 55.532 54.840 0.084 0.000 0.802 213 L CB -0.392 41.813 42.059 0.244 0.000 0.947 213 L HN 0.070 nan 8.230 nan 0.000 0.453 214 N N -0.837 117.844 118.700 -0.032 0.000 2.294 214 N HA 0.141 4.802 4.740 -0.132 0.000 0.186 214 N C 1.066 176.513 175.510 -0.104 0.000 1.107 214 N CA 0.620 53.637 53.050 -0.055 0.000 0.884 214 N CB 0.616 39.078 38.487 -0.043 0.000 1.030 214 N HN 0.275 nan 8.380 nan 0.000 0.482 215 M N 0.100 119.613 119.600 -0.145 0.000 2.502 215 M HA 0.258 4.658 4.480 -0.132 0.000 0.351 215 M C -0.339 175.832 176.300 -0.214 0.000 1.118 215 M CA -0.246 54.956 55.300 -0.164 0.000 0.952 215 M CB 1.096 33.602 32.600 -0.157 0.000 1.424 215 M HN -0.213 nan 8.290 nan 0.000 0.529 216 R N 1.487 121.831 120.500 -0.259 0.000 2.643 216 R HA 0.471 4.731 4.340 -0.132 0.000 0.270 216 R C 0.442 176.598 176.300 -0.240 0.000 1.061 216 R CA -0.176 55.742 56.100 -0.303 0.000 1.107 216 R CB 0.502 30.580 30.300 -0.369 0.000 0.999 216 R HN 0.239 nan 8.270 nan 0.000 0.460 217 A N 4.648 127.309 122.820 -0.264 0.000 2.483 217 A HA 0.177 4.417 4.320 -0.132 0.000 0.238 217 A C -1.859 175.630 177.584 -0.158 0.000 1.070 217 A CA -1.147 50.756 52.037 -0.223 0.000 0.770 217 A CB -0.392 18.441 19.000 -0.278 0.000 1.008 217 A HN 0.467 nan 8.150 nan 0.000 0.497 218 P HA 0.149 nan 4.420 nan 0.000 0.262 218 P C 1.024 178.277 177.300 -0.079 0.000 1.182 218 P CA 1.630 64.679 63.100 -0.084 0.000 0.761 218 P CB 0.547 32.210 31.700 -0.061 0.000 0.795 219 G N 2.948 111.707 108.800 -0.069 0.000 2.317 219 G HA2 -0.311 3.569 3.960 -0.132 0.000 0.227 219 G HA3 -0.311 3.569 3.960 -0.132 0.000 0.227 219 G C 0.280 175.137 174.900 -0.071 0.000 1.042 219 G CA 0.181 45.245 45.100 -0.059 0.000 0.623 219 G HN 0.589 nan 8.290 nan 0.000 0.509 220 M N 3.930 123.468 119.600 -0.104 0.000 3.070 220 M HA 0.484 4.885 4.480 -0.132 0.000 0.275 220 M C 1.171 177.393 176.300 -0.130 0.000 1.510 220 M CA 0.650 55.873 55.300 -0.129 0.000 1.608 220 M CB -0.619 31.868 32.600 -0.188 0.000 1.266 220 M HN 0.615 nan 8.290 nan 0.000 0.514 221 T N 0.723 115.233 114.554 -0.074 0.000 2.849 221 T HA 0.272 4.543 4.350 -0.132 0.000 0.284 221 T C 1.077 175.771 174.700 -0.011 0.000 1.004 221 T CA -0.753 61.323 62.100 -0.040 0.000 1.021 221 T CB 0.895 69.767 68.868 0.006 0.000 1.013 221 T HN 0.724 nan 8.240 nan 0.000 0.527 222 M N 1.209 120.840 119.600 0.052 0.000 2.202 222 M HA -0.082 4.319 4.480 -0.132 0.000 0.262 222 M C 2.544 179.105 176.300 0.435 0.000 1.063 222 M CA 2.445 57.863 55.300 0.197 0.000 1.097 222 M CB -0.886 31.895 32.600 0.302 0.000 1.382 222 M HN 1.009 nan 8.290 nan 0.000 0.413 223 H N -1.398 117.854 119.070 0.302 0.000 2.547 223 H HA 0.423 4.899 4.556 -0.132 0.000 0.266 223 H C 1.788 177.225 175.328 0.182 0.000 0.988 223 H CA 1.115 57.361 56.048 0.331 0.000 1.147 223 H CB -0.685 29.193 29.762 0.193 0.000 1.365 223 H HN 0.527 nan 8.280 nan 0.000 0.589 224 K N 0.204 120.682 120.400 0.130 0.000 2.438 224 K HA 0.563 4.804 4.320 -0.132 0.000 0.206 224 K C 0.466 177.099 176.600 0.055 0.000 1.081 224 K CA 0.538 56.821 56.287 -0.007 0.000 1.053 224 K CB -0.387 32.089 32.500 -0.039 0.000 0.908 224 K HN 0.357 nan 8.250 nan 0.000 0.556 225 V N 3.542 123.563 119.914 0.180 0.000 2.572 225 V HA 0.188 4.229 4.120 -0.132 0.000 0.291 225 V C -2.370 173.957 176.094 0.389 0.000 1.039 225 V CA -1.793 60.569 62.300 0.103 0.000 1.055 225 V CB 1.189 32.848 31.823 -0.273 0.000 0.969 225 V HN 0.294 nan 8.190 nan 0.000 0.482 226 P HA 0.136 nan 4.420 nan 0.000 0.269 226 P C 1.058 178.764 177.300 0.677 0.000 1.209 226 P CA -0.124 63.239 63.100 0.438 0.000 0.776 226 P CB 0.576 32.444 31.700 0.281 0.000 0.876 227 L N 1.208 122.870 121.223 0.732 0.000 2.081 227 L HA -0.231 4.030 4.340 -0.132 0.000 0.212 227 L C 2.165 179.429 176.870 0.656 0.000 1.080 227 L CA 1.614 56.852 54.840 0.664 0.000 0.754 227 L CB -0.641 41.725 42.059 0.511 0.000 0.893 227 L HN 0.379 nan 8.230 nan 0.000 0.433 228 F N 0.678 120.956 119.950 0.546 0.000 2.134 228 F HA -0.212 4.235 4.527 -0.134 0.000 0.299 228 F C 2.408 178.460 175.800 0.421 0.000 1.097 228 F CA 1.239 59.423 58.000 0.306 0.000 1.264 228 F CB -0.301 38.670 39.000 -0.048 0.000 1.001 228 F HN -0.004 nan 8.300 nan 0.000 0.479 229 A N -0.539 122.531 122.820 0.416 0.000 1.933 229 A HA -0.202 4.038 4.320 -0.132 0.000 0.218 229 A C 2.170 179.920 177.584 0.277 0.000 1.175 229 A CA 1.530 53.749 52.037 0.302 0.000 0.628 229 A CB -1.699 17.531 19.000 0.383 0.000 0.814 229 A HN 0.667 nan 8.150 nan 0.000 0.444 230 W N 0.870 122.373 121.300 0.339 0.000 2.355 230 W HA -0.235 4.346 4.660 -0.132 0.000 0.309 230 W C 3.085 179.697 176.519 0.155 0.000 1.206 230 W CA 2.101 59.590 57.345 0.240 0.000 1.284 230 W CB -0.215 29.378 29.460 0.222 0.000 1.145 230 W HN 0.495 nan 8.180 nan 0.000 0.502 231 S N 0.167 116.089 115.700 0.369 0.000 2.370 231 S HA -0.234 4.156 4.470 -0.132 0.000 0.226 231 S C 1.723 176.404 174.600 0.136 0.000 1.033 231 S CA 1.575 59.917 58.200 0.236 0.000 1.011 231 S CB -0.749 62.582 63.200 0.219 0.000 0.852 231 S HN 0.117 nan 8.310 nan 0.000 0.457 232 I N 0.595 121.156 120.570 -0.015 0.000 2.315 232 I HA -0.014 4.077 4.170 -0.132 0.000 0.248 232 I C 2.258 178.475 176.117 0.167 0.000 1.117 232 I CA 0.985 62.302 61.300 0.028 0.000 1.404 232 I CB -1.429 36.446 38.000 -0.208 0.000 1.071 232 I HN 0.312 nan 8.210 nan 0.000 0.419 233 F N 1.820 121.709 119.950 -0.100 0.000 2.075 233 F HA -0.178 4.269 4.527 -0.133 0.000 0.297 233 F C 2.495 178.353 175.800 0.097 0.000 1.113 233 F CA 1.503 59.360 58.000 -0.238 0.000 1.218 233 F CB -0.598 37.868 39.000 -0.889 0.000 0.984 233 F HN -0.180 nan 8.300 nan 0.000 0.472 234 V N -0.128 119.925 119.914 0.233 0.000 2.287 234 V HA -0.362 3.679 4.120 -0.132 0.000 0.248 234 V C 2.349 178.538 176.094 0.158 0.000 1.053 234 V CA 2.460 64.890 62.300 0.216 0.000 1.027 234 V CB -1.403 30.575 31.823 0.259 0.000 0.646 234 V HN 0.424 nan 8.190 nan 0.000 0.447 235 T N 0.449 115.084 114.554 0.135 0.000 2.720 235 T HA -0.224 4.046 4.350 -0.132 0.000 0.268 235 T C 2.063 176.740 174.700 -0.038 0.000 1.037 235 T CA 1.783 63.914 62.100 0.052 0.000 1.144 235 T CB -0.508 68.399 68.868 0.064 0.000 0.864 235 T HN 0.603 nan 8.240 nan 0.000 0.444 236 A N 0.248 123.090 122.820 0.037 0.000 1.940 236 A HA -0.113 4.128 4.320 -0.132 0.000 0.219 236 A C 2.077 179.552 177.584 -0.181 0.000 1.176 236 A CA 1.400 53.403 52.037 -0.056 0.000 0.631 236 A CB -1.115 17.871 19.000 -0.024 0.000 0.814 236 A HN 0.707 nan 8.150 nan 0.000 0.446 237 W N 0.096 121.315 121.300 -0.134 0.000 2.388 237 W HA -0.048 4.534 4.660 -0.130 0.000 0.294 237 W C 2.064 178.592 176.519 0.014 0.000 1.212 237 W CA 0.834 58.111 57.345 -0.113 0.000 1.271 237 W CB -0.259 29.081 29.460 -0.200 0.000 1.126 237 W HN 0.207 nan 8.180 nan 0.000 0.535 238 L N -0.281 121.115 121.223 0.289 0.000 2.083 238 L HA -0.238 4.022 4.340 -0.132 0.000 0.209 238 L C 2.118 179.152 176.870 0.273 0.000 1.083 238 L CA 1.272 56.325 54.840 0.355 0.000 0.752 238 L CB -1.040 41.141 42.059 0.203 0.000 0.899 238 L HN 0.054 nan 8.230 nan 0.000 0.433 239 I N -0.030 120.590 120.570 0.082 0.000 2.226 239 I HA -0.317 3.773 4.170 -0.132 0.000 0.245 239 I C 2.504 178.687 176.117 0.109 0.000 1.100 239 I CA 1.376 62.697 61.300 0.034 0.000 1.374 239 I CB -0.208 37.706 38.000 -0.143 0.000 1.057 239 I HN 0.238 nan 8.210 nan 0.000 0.413 240 L N -0.240 121.041 121.223 0.096 0.000 2.131 240 L HA -0.210 4.050 4.340 -0.132 0.000 0.210 240 L C 2.478 179.441 176.870 0.156 0.000 1.092 240 L CA 0.845 55.747 54.840 0.102 0.000 0.759 240 L CB -0.388 41.710 42.059 0.065 0.000 0.903 240 L HN 0.316 nan 8.230 nan 0.000 0.435 241 L N -0.262 121.087 121.223 0.210 0.000 2.102 241 L HA 0.049 4.309 4.340 -0.132 0.000 0.202 241 L C 2.545 179.634 176.870 0.365 0.000 1.076 241 L CA 1.863 56.825 54.840 0.203 0.000 0.761 241 L CB -0.649 41.382 42.059 -0.047 0.000 0.921 241 L HN 0.068 nan 8.230 nan 0.000 0.444 242 A N -0.704 122.402 122.820 0.475 0.000 1.897 242 A HA -0.058 4.183 4.320 -0.132 0.000 0.215 242 A C 2.094 179.926 177.584 0.413 0.000 1.181 242 A CA 1.359 53.695 52.037 0.498 0.000 0.620 242 A CB -0.692 18.528 19.000 0.367 0.000 0.821 242 A HN 0.376 nan 8.150 nan 0.000 0.443 243 L N -0.308 121.087 121.223 0.287 0.000 2.056 243 L HA -0.061 4.200 4.340 -0.132 0.000 0.207 243 L C -0.457 176.456 176.870 0.071 0.000 1.078 243 L CA 1.984 56.913 54.840 0.149 0.000 0.749 243 L CB -2.312 39.815 42.059 0.114 0.000 0.901 243 L HN 0.203 nan 8.230 nan 0.000 0.433 244 P HA -0.107 nan 4.420 nan 0.000 0.216 244 P C 2.142 179.470 177.300 0.048 0.000 1.150 244 P CA 0.944 64.085 63.100 0.068 0.000 0.837 244 P CB 0.123 31.867 31.700 0.073 0.000 0.786 245 V N -0.361 119.607 119.914 0.090 0.000 2.295 245 V HA -0.221 3.820 4.120 -0.132 0.000 0.246 245 V C 2.387 178.469 176.094 -0.020 0.000 1.049 245 V CA 1.607 63.941 62.300 0.056 0.000 1.024 245 V CB -1.314 30.625 31.823 0.193 0.000 0.648 245 V HN 0.061 nan 8.190 nan 0.000 0.447 246 L N 1.144 122.328 121.223 -0.064 0.000 2.042 246 L HA -0.144 4.117 4.340 -0.132 0.000 0.210 246 L C 2.443 179.176 176.870 -0.228 0.000 1.076 246 L CA 2.426 57.088 54.840 -0.297 0.000 0.749 246 L CB -0.967 40.606 42.059 -0.810 0.000 0.893 246 L HN 0.228 nan 8.230 nan 0.000 0.432 247 A N -0.575 122.171 122.820 -0.123 0.000 1.940 247 A HA -0.084 4.156 4.320 -0.132 0.000 0.219 247 A C 2.335 179.955 177.584 0.059 0.000 1.176 247 A CA 1.591 53.627 52.037 -0.001 0.000 0.631 247 A CB -1.569 17.504 19.000 0.122 0.000 0.814 247 A HN 0.556 nan 8.150 nan 0.000 0.446 248 G N -0.437 108.364 108.800 0.001 0.000 2.433 248 G HA2 -0.014 3.867 3.960 -0.132 0.000 0.216 248 G HA3 -0.014 3.867 3.960 -0.132 0.000 0.216 248 G C 1.815 176.705 174.900 -0.017 0.000 1.186 248 G CA 1.585 46.674 45.100 -0.019 0.000 0.779 248 G HN 0.822 nan 8.290 nan 0.000 0.543 249 A N 1.310 124.100 122.820 -0.050 0.000 1.892 249 A HA -0.108 4.132 4.320 -0.132 0.000 0.218 249 A C 2.464 180.146 177.584 0.165 0.000 1.188 249 A CA 1.966 54.002 52.037 -0.001 0.000 0.631 249 A CB -0.539 18.299 19.000 -0.271 0.000 0.822 249 A HN 0.833 nan 8.150 nan 0.000 0.447 250 I N -3.678 116.912 120.570 0.033 0.000 2.761 250 I HA -0.047 4.044 4.170 -0.132 0.000 0.261 250 I C 1.916 178.096 176.117 0.106 0.000 1.198 250 I CA 1.725 63.037 61.300 0.020 0.000 1.482 250 I CB -0.770 37.099 38.000 -0.219 0.000 1.100 250 I HN 0.089 nan 8.210 nan 0.000 0.445 251 T N 1.650 116.308 114.554 0.173 0.000 2.821 251 T HA -0.005 4.266 4.350 -0.132 0.000 0.267 251 T C 1.886 176.716 174.700 0.216 0.000 1.046 251 T CA 1.814 64.069 62.100 0.259 0.000 1.139 251 T CB -0.240 68.767 68.868 0.232 0.000 0.871 251 T HN 0.334 nan 8.240 nan 0.000 0.454 252 M N 0.576 120.269 119.600 0.154 0.000 2.213 252 M HA 0.039 4.440 4.480 -0.132 0.000 0.263 252 M C 2.026 178.537 176.300 0.351 0.000 1.062 252 M CA 1.321 56.701 55.300 0.133 0.000 1.105 252 M CB -0.586 31.891 32.600 -0.204 0.000 1.385 252 M HN 0.184 nan 8.290 nan 0.000 0.417 253 L N -0.535 120.930 121.223 0.403 0.000 2.056 253 L HA -0.181 4.080 4.340 -0.132 0.000 0.207 253 L C 2.461 179.428 176.870 0.162 0.000 1.078 253 L CA 0.658 55.671 54.840 0.289 0.000 0.749 253 L CB -0.652 41.473 42.059 0.110 0.000 0.901 253 L HN 0.274 nan 8.230 nan 0.000 0.433 254 L N 0.006 121.320 121.223 0.151 0.000 2.083 254 L HA -0.193 4.067 4.340 -0.132 0.000 0.209 254 L C 2.734 179.692 176.870 0.148 0.000 1.083 254 L CA 2.403 57.308 54.840 0.109 0.000 0.752 254 L CB -0.592 41.574 42.059 0.178 0.000 0.899 254 L HN 0.444 nan 8.230 nan 0.000 0.433 255 T N -5.087 109.637 114.554 0.283 0.000 2.896 255 T HA -0.107 4.163 4.350 -0.132 0.000 0.263 255 T C 1.651 176.457 174.700 0.176 0.000 1.050 255 T CA 0.987 63.304 62.100 0.362 0.000 1.140 255 T CB -0.549 68.576 68.868 0.427 0.000 0.877 255 T HN 0.217 nan 8.240 nan 0.000 0.457 256 D N 1.347 121.841 120.400 0.156 0.000 2.182 256 D HA -0.007 4.553 4.640 -0.132 0.000 0.201 256 D C 2.439 178.754 176.300 0.024 0.000 0.986 256 D CA 0.907 54.952 54.000 0.075 0.000 0.847 256 D CB -0.150 40.729 40.800 0.132 0.000 0.942 256 D HN 0.452 nan 8.370 nan 0.000 0.467 257 R N -0.391 120.110 120.500 0.002 0.000 2.100 257 R HA 0.140 4.401 4.340 -0.132 0.000 0.220 257 R C 1.314 177.529 176.300 -0.141 0.000 1.091 257 R CA 0.750 56.816 56.100 -0.056 0.000 0.986 257 R CB 0.181 30.442 30.300 -0.065 0.000 0.888 257 R HN 0.174 nan 8.270 nan 0.000 0.444 258 N N -1.109 117.429 118.700 -0.270 0.000 2.360 258 N HA 0.063 4.723 4.740 -0.132 0.000 0.211 258 N C 0.049 175.193 175.510 -0.610 0.000 1.147 258 N CA 0.507 53.223 53.050 -0.558 0.000 0.866 258 N CB 0.731 38.644 38.487 -0.957 0.000 1.206 258 N HN 0.057 nan 8.380 nan 0.000 0.478 259 F N 0.243 120.208 119.950 0.025 0.000 2.764 259 F HA 0.415 4.861 4.527 -0.135 0.000 0.310 259 F C 1.435 177.225 175.800 -0.016 0.000 1.124 259 F CA -0.467 57.541 58.000 0.013 0.000 1.252 259 F CB 0.471 39.489 39.000 0.031 0.000 1.010 259 F HN 0.003 nan 8.300 nan 0.000 0.518 260 G N 0.750 109.594 108.800 0.074 0.000 2.162 260 G HA2 -0.321 3.559 3.960 -0.132 0.000 0.260 260 G HA3 -0.321 3.559 3.960 -0.132 0.000 0.260 260 G C 0.510 175.379 174.900 -0.052 0.000 0.976 260 G CA 0.467 45.574 45.100 0.012 0.000 0.655 260 G HN 0.525 nan 8.290 nan 0.000 0.533 261 T N -1.615 112.893 114.554 -0.077 0.000 2.813 261 T HA 0.538 4.809 4.350 -0.132 0.000 0.297 261 T C 0.899 175.435 174.700 -0.274 0.000 1.036 261 T CA 0.958 62.887 62.100 -0.285 0.000 1.044 261 T CB 1.635 70.227 68.868 -0.460 0.000 0.993 261 T HN 1.270 nan 8.240 nan 0.000 0.535 262 T N -1.373 112.930 114.554 -0.417 0.000 3.633 262 T HA 0.314 4.585 4.350 -0.132 0.000 0.278 262 T C 0.505 175.043 174.700 -0.270 0.000 0.991 262 T CA -0.683 61.271 62.100 -0.242 0.000 1.036 262 T CB -0.823 67.959 68.868 -0.143 0.000 1.148 262 T HN 0.407 nan 8.240 nan 0.000 0.501 263 F N 0.951 120.706 119.950 -0.325 0.000 2.161 263 F HA 0.154 4.601 4.527 -0.133 0.000 0.300 263 F C 1.156 176.684 175.800 -0.452 0.000 1.089 263 F CA 0.986 58.652 58.000 -0.558 0.000 1.282 263 F CB -0.401 37.934 39.000 -1.109 0.000 1.010 263 F HN 0.401 nan 8.300 nan 0.000 0.485 264 F N -1.214 118.859 119.950 0.205 0.000 2.724 264 F HA 0.278 4.725 4.527 -0.133 0.000 0.310 264 F C 0.072 175.910 175.800 0.063 0.000 1.107 264 F CA -0.690 57.384 58.000 0.123 0.000 1.218 264 F CB -0.449 38.606 39.000 0.091 0.000 1.042 264 F HN -0.239 nan 8.300 nan 0.000 0.540 265 Q N 1.306 121.192 119.800 0.144 0.000 2.368 265 Q HA 0.315 4.575 4.340 -0.132 0.000 0.263 265 Q C -2.136 173.900 176.000 0.060 0.000 1.009 265 Q CA -2.104 53.752 55.803 0.087 0.000 0.818 265 Q CB 1.609 30.372 28.738 0.043 0.000 1.239 265 Q HN 0.042 nan 8.270 nan 0.000 0.464 266 P HA -0.205 nan 4.420 nan 0.000 0.218 266 P C 1.427 178.746 177.300 0.032 0.000 1.148 266 P CA 1.581 64.713 63.100 0.053 0.000 0.822 266 P CB 0.324 32.056 31.700 0.055 0.000 0.784 267 S N -1.118 114.596 115.700 0.024 0.000 2.402 267 S HA -0.053 4.338 4.470 -0.132 0.000 0.229 267 S C 2.047 176.647 174.600 0.001 0.000 1.021 267 S CA 1.343 59.550 58.200 0.013 0.000 0.974 267 S CB -1.660 61.546 63.200 0.010 0.000 0.800 267 S HN 0.218 nan 8.310 nan 0.000 0.484 268 G N -0.418 108.378 108.800 -0.008 0.000 3.189 268 G HA2 0.466 4.346 3.960 -0.132 0.000 0.225 268 G HA3 0.466 4.346 3.960 -0.132 0.000 0.225 268 G C 0.948 175.831 174.900 -0.027 0.000 1.159 268 G CA -0.035 45.047 45.100 -0.029 0.000 0.763 268 G HN 1.397 nan 8.290 nan 0.000 0.549 269 G N -1.186 107.613 108.800 -0.002 0.000 2.157 269 G HA2 -0.014 3.867 3.960 -0.132 0.000 0.239 269 G HA3 -0.014 3.867 3.960 -0.132 0.000 0.239 269 G C 0.749 175.667 174.900 0.029 0.000 0.982 269 G CA 0.180 45.286 45.100 0.011 0.000 0.650 269 G HN 0.983 nan 8.290 nan 0.000 0.527 270 G N -0.835 107.986 108.800 0.036 0.000 2.580 270 G HA2 0.506 4.386 3.960 -0.132 0.000 0.278 270 G HA3 0.506 4.386 3.960 -0.132 0.000 0.278 270 G C -0.830 174.150 174.900 0.134 0.000 1.212 270 G CA 0.444 45.594 45.100 0.082 0.000 0.939 270 G HN 0.367 nan 8.290 nan 0.000 0.513 271 D N -0.774 119.752 120.400 0.211 0.000 2.575 271 D HA 0.386 4.947 4.640 -0.132 0.000 0.250 271 D C -1.853 174.621 176.300 0.291 0.000 1.279 271 D CA -1.929 52.196 54.000 0.210 0.000 0.925 271 D CB 2.281 43.192 40.800 0.186 0.000 1.261 271 D HN -0.053 nan 8.370 nan 0.000 0.567 272 P HA -0.105 nan 4.420 nan 0.000 0.218 272 P C 1.462 178.768 177.300 0.009 0.000 1.149 272 P CA 0.460 63.622 63.100 0.103 0.000 0.817 272 P CB 0.447 32.169 31.700 0.037 0.000 0.785 273 V N -0.482 119.461 119.914 0.049 0.000 2.720 273 V HA -0.193 3.847 4.120 -0.132 0.000 0.256 273 V C 2.303 178.447 176.094 0.084 0.000 1.082 273 V CA 1.186 63.490 62.300 0.008 0.000 1.101 273 V CB -1.173 30.678 31.823 0.046 0.000 0.693 273 V HN 0.082 nan 8.190 nan 0.000 0.479 274 L N -0.044 121.306 121.223 0.212 0.000 2.046 274 L HA -0.207 4.053 4.340 -0.132 0.000 0.208 274 L C 2.296 179.265 176.870 0.165 0.000 1.077 274 L CA 2.193 57.206 54.840 0.287 0.000 0.747 274 L CB -0.925 41.355 42.059 0.369 0.000 0.896 274 L HN 0.468 nan 8.230 nan 0.000 0.432 275 Y N 0.155 120.351 120.300 -0.173 0.000 2.165 275 Y HA -0.313 4.156 4.550 -0.133 0.000 0.286 275 Y C 2.546 178.226 175.900 -0.368 0.000 1.155 275 Y CA 2.230 59.989 58.100 -0.568 0.000 1.164 275 Y CB -0.245 37.415 38.460 -1.332 0.000 0.978 275 Y HN 0.390 nan 8.280 nan 0.000 0.513 276 Q N -1.028 118.595 119.800 -0.296 0.000 2.084 276 Q HA -0.238 4.023 4.340 -0.132 0.000 0.202 276 Q C 2.106 178.035 176.000 -0.118 0.000 0.978 276 Q CA 1.558 57.185 55.803 -0.294 0.000 0.844 276 Q CB -0.328 28.239 28.738 -0.285 0.000 0.898 276 Q HN 0.633 nan 8.270 nan 0.000 0.426 277 H N 0.370 119.450 119.070 0.017 0.000 2.321 277 H HA -0.108 4.368 4.556 -0.133 0.000 0.300 277 H C 2.188 177.413 175.328 -0.172 0.000 1.087 277 H CA 1.440 57.544 56.048 0.093 0.000 1.319 277 H CB -0.157 29.700 29.762 0.157 0.000 1.379 277 H HN 0.266 nan 8.280 nan 0.000 0.501 278 I N 0.515 121.013 120.570 -0.120 0.000 2.202 278 I HA -0.234 3.856 4.170 -0.132 0.000 0.242 278 I C 2.792 178.747 176.117 -0.270 0.000 1.091 278 I CA 0.575 61.738 61.300 -0.228 0.000 1.368 278 I CB -0.271 37.591 38.000 -0.231 0.000 1.058 278 I HN 0.166 nan 8.210 nan 0.000 0.410 279 L N 0.685 121.566 121.223 -0.570 0.000 1.989 279 L HA -0.224 4.037 4.340 -0.132 0.000 0.211 279 L C 2.223 178.876 176.870 -0.363 0.000 1.071 279 L CA 2.429 56.892 54.840 -0.629 0.000 0.749 279 L CB -1.017 40.377 42.059 -1.107 0.000 0.890 279 L HN 0.345 nan 8.230 nan 0.000 0.431 280 W N -1.295 119.928 121.300 -0.128 0.000 2.595 280 W HA -0.198 4.384 4.660 -0.131 0.000 0.257 280 W C 2.354 178.863 176.519 -0.017 0.000 1.267 280 W CA 0.199 57.511 57.345 -0.055 0.000 1.300 280 W CB -0.409 29.087 29.460 0.061 0.000 1.120 280 W HN 0.130 nan 8.180 nan 0.000 0.618 281 F N -0.101 119.771 119.950 -0.131 0.000 2.186 281 F HA -0.194 4.253 4.527 -0.133 0.000 0.299 281 F C 2.231 178.036 175.800 0.008 0.000 1.090 281 F CA 1.633 59.489 58.000 -0.240 0.000 1.307 281 F CB -0.570 38.137 39.000 -0.488 0.000 1.019 281 F HN -0.034 nan 8.300 nan 0.000 0.489 282 F N 0.158 120.135 119.950 0.045 0.000 2.234 282 F HA 0.128 4.577 4.527 -0.131 0.000 0.296 282 F C 2.192 177.954 175.800 -0.063 0.000 1.089 282 F CA 1.550 59.542 58.000 -0.012 0.000 1.343 282 F CB -1.024 37.957 39.000 -0.031 0.000 1.040 282 F HN -0.099 nan 8.300 nan 0.000 0.498 283 G N -0.928 107.613 108.800 -0.431 0.000 2.408 283 G HA2 -0.273 3.607 3.960 -0.132 0.000 0.217 283 G HA3 -0.273 3.607 3.960 -0.132 0.000 0.217 283 G C 1.355 176.122 174.900 -0.222 0.000 1.150 283 G CA 1.038 45.808 45.100 -0.550 0.000 0.776 283 G HN 0.546 nan 8.290 nan 0.000 0.542 284 H N 1.693 120.762 119.070 -0.001 0.000 2.256 284 H HA -0.024 4.453 4.556 -0.132 0.000 0.299 284 H C 0.208 175.471 175.328 -0.109 0.000 1.071 284 H CA 1.962 58.032 56.048 0.037 0.000 1.280 284 H CB -0.532 29.330 29.762 0.167 0.000 1.370 284 H HN 0.228 nan 8.280 nan 0.000 0.490 285 P HA -0.239 nan 4.420 nan 0.000 0.218 285 P C 1.241 178.362 177.300 -0.298 0.000 1.154 285 P CA 2.247 65.162 63.100 -0.308 0.000 0.872 285 P CB -0.091 31.190 31.700 -0.698 0.000 0.790 286 E N 0.109 119.978 120.200 -0.553 0.000 2.136 286 E HA -0.226 4.045 4.350 -0.132 0.000 0.202 286 E C 1.691 178.022 176.600 -0.448 0.000 1.019 286 E CA 2.192 58.239 56.400 -0.588 0.000 0.819 286 E CB -1.251 27.852 29.700 -0.994 0.000 0.739 286 E HN 0.188 nan 8.360 nan 0.000 0.458 287 V N -1.458 118.149 119.914 -0.511 0.000 2.667 287 V HA -0.139 3.901 4.120 -0.132 0.000 0.252 287 V C 1.875 177.638 176.094 -0.552 0.000 1.065 287 V CA 1.619 63.578 62.300 -0.568 0.000 1.083 287 V CB -0.988 30.426 31.823 -0.681 0.000 0.692 287 V HN 0.281 nan 8.190 nan 0.000 0.468 288 Y N 0.497 120.653 120.300 -0.240 0.000 2.286 288 Y HA 0.201 4.671 4.550 -0.133 0.000 0.293 288 Y C 2.374 178.174 175.900 -0.167 0.000 1.124 288 Y CA 1.386 59.402 58.100 -0.139 0.000 1.178 288 Y CB -0.473 37.971 38.460 -0.027 0.000 1.010 288 Y HN 0.161 nan 8.280 nan 0.000 0.536 289 I N -0.237 120.289 120.570 -0.073 0.000 2.194 289 I HA -0.356 3.735 4.170 -0.132 0.000 0.246 289 I C 2.074 178.088 176.117 -0.172 0.000 1.093 289 I CA 1.612 62.825 61.300 -0.145 0.000 1.355 289 I CB -0.436 37.442 38.000 -0.203 0.000 1.046 289 I HN 0.207 nan 8.210 nan 0.000 0.413 290 I N -0.470 119.969 120.570 -0.218 0.000 2.142 290 I HA -0.256 3.834 4.170 -0.132 0.000 0.240 290 I C 2.433 178.450 176.117 -0.167 0.000 1.078 290 I CA 1.292 62.469 61.300 -0.205 0.000 1.343 290 I CB -0.195 37.645 38.000 -0.267 0.000 1.046 290 I HN 0.047 nan 8.210 nan 0.000 0.405 291 V N 0.557 120.333 119.914 -0.230 0.000 3.052 291 V HA -0.047 3.994 4.120 -0.132 0.000 0.254 291 V C 2.124 177.889 176.094 -0.549 0.000 1.100 291 V CA 0.800 62.902 62.300 -0.330 0.000 1.112 291 V CB 0.179 31.793 31.823 -0.349 0.000 0.738 291 V HN 0.279 nan 8.190 nan 0.000 0.469 292 L N 0.634 121.641 121.223 -0.360 0.000 2.012 292 L HA -0.118 4.143 4.340 -0.132 0.000 0.210 292 L C -0.085 176.785 176.870 0.000 0.000 1.073 292 L CA 2.005 56.713 54.840 -0.219 0.000 0.748 292 L CB -1.700 40.371 42.059 0.020 0.000 0.891 292 L HN 0.349 nan 8.230 nan 0.000 0.431 293 P HA -0.158 nan 4.420 nan 0.000 0.218 293 P C 1.331 178.794 177.300 0.272 0.000 1.148 293 P CA 1.617 64.848 63.100 0.219 0.000 0.822 293 P CB -0.021 31.848 31.700 0.282 0.000 0.784 294 A N -1.181 121.692 122.820 0.087 0.000 1.930 294 A HA -0.179 4.061 4.320 -0.132 0.000 0.217 294 A C 1.890 179.438 177.584 -0.060 0.000 1.175 294 A CA 1.244 53.272 52.037 -0.015 0.000 0.627 294 A CB -1.629 17.348 19.000 -0.038 0.000 0.815 294 A HN 0.017 nan 8.150 nan 0.000 0.443 295 F N 0.511 120.424 119.950 -0.062 0.000 2.095 295 F HA -0.093 4.355 4.527 -0.131 0.000 0.298 295 F C 2.699 178.621 175.800 0.203 0.000 1.104 295 F CA 0.584 58.631 58.000 0.079 0.000 1.232 295 F CB -1.570 37.615 39.000 0.308 0.000 0.987 295 F HN 0.272 nan 8.300 nan 0.000 0.475 296 G N 0.383 109.468 108.800 0.476 0.000 2.476 296 G HA2 -0.257 3.624 3.960 -0.132 0.000 0.218 296 G HA3 -0.257 3.624 3.960 -0.132 0.000 0.218 296 G C 1.914 177.041 174.900 0.378 0.000 1.164 296 G CA 1.174 46.584 45.100 0.517 0.000 0.768 296 G HN 0.366 nan 8.290 nan 0.000 0.560 297 I N 0.201 120.896 120.570 0.208 0.000 2.179 297 I HA -0.165 3.925 4.170 -0.132 0.000 0.242 297 I C 2.809 178.743 176.117 -0.305 0.000 1.088 297 I CA 0.515 61.702 61.300 -0.189 0.000 1.357 297 I CB -0.308 37.522 38.000 -0.284 0.000 1.051 297 I HN 0.036 nan 8.210 nan 0.000 0.409 298 V N 0.118 119.823 119.914 -0.348 0.000 2.332 298 V HA -0.310 3.730 4.120 -0.132 0.000 0.248 298 V C 2.552 178.454 176.094 -0.320 0.000 1.055 298 V CA 2.219 64.178 62.300 -0.568 0.000 1.038 298 V CB -0.570 30.552 31.823 -1.170 0.000 0.651 298 V HN 0.384 nan 8.190 nan 0.000 0.450 299 S N -1.617 114.139 115.700 0.092 0.000 2.356 299 S HA -0.209 4.182 4.470 -0.132 0.000 0.223 299 S C 1.830 176.552 174.600 0.203 0.000 1.032 299 S CA 1.393 59.822 58.200 0.382 0.000 1.005 299 S CB -0.443 63.093 63.200 0.559 0.000 0.867 299 S HN 0.696 nan 8.310 nan 0.000 0.449 300 H N -0.178 118.877 119.070 -0.024 0.000 2.387 300 H HA -0.029 4.448 4.556 -0.132 0.000 0.299 300 H C 2.161 177.242 175.328 -0.413 0.000 1.090 300 H CA 1.503 57.481 56.048 -0.116 0.000 1.332 300 H CB -0.059 29.660 29.762 -0.071 0.000 1.386 300 H HN 0.223 nan 8.280 nan 0.000 0.516 301 V N 1.145 120.739 119.914 -0.533 0.000 2.323 301 V HA -0.197 3.843 4.120 -0.132 0.000 0.244 301 V C 2.551 178.492 176.094 -0.256 0.000 1.041 301 V CA 1.242 63.117 62.300 -0.708 0.000 1.025 301 V CB -0.304 31.090 31.823 -0.715 0.000 0.656 301 V HN 0.323 nan 8.190 nan 0.000 0.451 302 I N 0.491 120.954 120.570 -0.180 0.000 2.226 302 I HA -0.225 3.866 4.170 -0.132 0.000 0.245 302 I C 2.684 178.787 176.117 -0.024 0.000 1.100 302 I CA 1.424 62.687 61.300 -0.062 0.000 1.374 302 I CB -0.586 37.399 38.000 -0.024 0.000 1.057 302 I HN 0.301 nan 8.210 nan 0.000 0.413 303 A N 0.551 123.357 122.820 -0.023 0.000 1.908 303 A HA -0.214 4.027 4.320 -0.132 0.000 0.218 303 A C 2.382 179.903 177.584 -0.105 0.000 1.181 303 A CA 2.509 54.534 52.037 -0.020 0.000 0.627 303 A CB -1.093 17.913 19.000 0.010 0.000 0.818 303 A HN 0.373 nan 8.150 nan 0.000 0.445 304 T N -0.692 113.733 114.554 -0.215 0.000 2.708 304 T HA -0.111 4.160 4.350 -0.132 0.000 0.266 304 T C 1.323 175.694 174.700 -0.549 0.000 1.037 304 T CA 1.793 63.637 62.100 -0.427 0.000 1.146 304 T CB -0.387 68.079 68.868 -0.670 0.000 0.865 304 T HN 0.441 nan 8.240 nan 0.000 0.435 305 F N 0.555 120.384 119.950 -0.201 0.000 2.754 305 F HA 0.462 4.909 4.527 -0.133 0.000 0.297 305 F C 2.227 177.936 175.800 -0.151 0.000 1.122 305 F CA -0.211 57.672 58.000 -0.194 0.000 1.400 305 F CB -0.225 38.619 39.000 -0.260 0.000 1.117 305 F HN 0.103 nan 8.300 nan 0.000 0.587 306 A N -0.150 122.657 122.820 -0.023 0.000 2.178 306 A HA 0.054 4.295 4.320 -0.132 0.000 0.211 306 A C 1.194 178.684 177.584 -0.156 0.000 1.157 306 A CA 0.079 52.084 52.037 -0.053 0.000 0.780 306 A CB -0.401 18.592 19.000 -0.012 0.000 0.828 306 A HN 0.265 nan 8.150 nan 0.000 0.476 307 K N -1.105 119.136 120.400 -0.264 0.000 3.150 307 K HA -0.187 4.054 4.320 -0.132 0.000 0.267 307 K C -0.377 175.727 176.600 -0.826 0.000 1.028 307 K CA 1.287 57.177 56.287 -0.662 0.000 0.753 307 K CB -1.481 30.711 32.500 -0.515 0.000 1.288 307 K HN 0.649 nan 8.250 nan 0.000 0.473 308 K N 0.319 120.508 120.400 -0.352 0.000 2.557 308 K HA 0.296 4.536 4.320 -0.132 0.000 0.257 308 K C -2.818 173.794 176.600 0.020 0.000 0.933 308 K CA -1.743 54.473 56.287 -0.119 0.000 0.820 308 K CB 2.041 34.514 32.500 -0.044 0.000 1.330 308 K HN -0.271 nan 8.250 nan 0.000 0.432 309 P HA 0.045 nan 4.420 nan 0.000 0.272 309 P C -0.203 177.162 177.300 0.108 0.000 1.223 309 P CA -0.481 62.670 63.100 0.085 0.000 0.784 309 P CB 0.496 32.236 31.700 0.066 0.000 0.923 310 I N 2.464 123.106 120.570 0.121 0.000 2.752 310 I HA -0.026 4.065 4.170 -0.132 0.000 0.289 310 I C 0.169 176.396 176.117 0.183 0.000 1.197 310 I CA -0.085 61.321 61.300 0.178 0.000 1.432 310 I CB -0.740 37.379 38.000 0.199 0.000 1.359 310 I HN 0.150 nan 8.210 nan 0.000 0.571 311 F N 7.984 127.977 119.950 0.072 0.000 2.495 311 F HA 0.420 4.868 4.527 -0.133 0.000 0.365 311 F C 1.254 177.063 175.800 0.015 0.000 1.090 311 F CA 0.329 58.356 58.000 0.045 0.000 1.235 311 F CB 0.243 39.269 39.000 0.043 0.000 1.119 311 F HN 0.757 nan 8.300 nan 0.000 0.562 312 G N 6.228 114.824 108.800 -0.341 0.000 2.367 312 G HA2 -0.395 3.485 3.960 -0.132 0.000 0.295 312 G HA3 -0.395 3.485 3.960 -0.132 0.000 0.295 312 G C 0.423 175.300 174.900 -0.038 0.000 1.019 312 G CA 0.625 45.622 45.100 -0.172 0.000 1.224 312 G HN 1.053 nan 8.290 nan 0.000 0.510 313 Y N 0.403 120.631 120.300 -0.121 0.000 2.114 313 Y HA -0.152 4.318 4.550 -0.133 0.000 0.282 313 Y C 2.462 178.256 175.900 -0.177 0.000 1.165 313 Y CA 2.525 60.569 58.100 -0.094 0.000 1.148 313 Y CB -0.173 38.253 38.460 -0.057 0.000 0.972 313 Y HN 0.411 nan 8.280 nan 0.000 0.504 314 L N 0.462 121.562 121.223 -0.205 0.000 2.044 314 L HA -0.015 4.246 4.340 -0.132 0.000 0.205 314 L C -0.736 175.797 176.870 -0.561 0.000 1.075 314 L CA 1.620 56.164 54.840 -0.494 0.000 0.747 314 L CB -1.638 40.262 42.059 -0.265 0.000 0.903 314 L HN 0.112 nan 8.230 nan 0.000 0.435 315 P HA -0.180 nan 4.420 nan 0.000 0.216 315 P C 1.930 179.128 177.300 -0.171 0.000 1.150 315 P CA 1.427 64.468 63.100 -0.099 0.000 0.843 315 P CB -0.108 31.578 31.700 -0.025 0.000 0.787 316 M N -1.271 118.177 119.600 -0.252 0.000 2.117 316 M HA -0.099 4.301 4.480 -0.132 0.000 0.262 316 M C 2.038 178.156 176.300 -0.303 0.000 1.065 316 M CA 1.552 56.690 55.300 -0.270 0.000 1.114 316 M CB -1.581 30.872 32.600 -0.246 0.000 1.361 316 M HN -0.144 nan 8.290 nan 0.000 0.408 317 V N -0.750 118.842 119.914 -0.537 0.000 2.307 317 V HA -0.265 3.775 4.120 -0.132 0.000 0.245 317 V C 2.292 178.168 176.094 -0.363 0.000 1.045 317 V CA 1.584 63.489 62.300 -0.658 0.000 1.024 317 V CB -1.005 30.089 31.823 -1.214 0.000 0.651 317 V HN 0.247 nan 8.190 nan 0.000 0.449 318 Y N 0.707 120.830 120.300 -0.295 0.000 2.293 318 Y HA -0.031 4.440 4.550 -0.133 0.000 0.291 318 Y C 2.529 178.353 175.900 -0.126 0.000 1.137 318 Y CA 0.517 58.501 58.100 -0.193 0.000 1.202 318 Y CB -1.318 37.052 38.460 -0.150 0.000 0.990 318 Y HN 0.197 nan 8.280 nan 0.000 0.537 319 A N -0.218 122.620 122.820 0.029 0.000 1.902 319 A HA -0.199 4.041 4.320 -0.132 0.000 0.217 319 A C 2.372 179.978 177.584 0.036 0.000 1.181 319 A CA 1.725 53.765 52.037 0.006 0.000 0.623 319 A CB -0.742 18.223 19.000 -0.058 0.000 0.818 319 A HN 0.385 nan 8.150 nan 0.000 0.443 320 M N -0.695 118.928 119.600 0.039 0.000 2.117 320 M HA -0.141 4.259 4.480 -0.132 0.000 0.262 320 M C 2.145 178.503 176.300 0.096 0.000 1.065 320 M CA 1.407 56.778 55.300 0.119 0.000 1.114 320 M CB -0.461 32.226 32.600 0.144 0.000 1.361 320 M HN 0.287 nan 8.290 nan 0.000 0.408 321 V N 0.336 120.284 119.914 0.056 0.000 2.295 321 V HA -0.257 3.784 4.120 -0.132 0.000 0.246 321 V C 2.615 178.729 176.094 0.033 0.000 1.049 321 V CA 2.043 64.375 62.300 0.054 0.000 1.024 321 V CB -1.226 30.625 31.823 0.047 0.000 0.648 321 V HN 0.519 nan 8.190 nan 0.000 0.447 322 A N -0.170 122.663 122.820 0.022 0.000 1.902 322 A HA -0.177 4.063 4.320 -0.132 0.000 0.217 322 A C 2.182 179.756 177.584 -0.017 0.000 1.181 322 A CA 1.939 53.975 52.037 -0.002 0.000 0.623 322 A CB -0.557 18.440 19.000 -0.006 0.000 0.818 322 A HN 0.507 nan 8.150 nan 0.000 0.443 323 I N -0.305 120.259 120.570 -0.009 0.000 2.179 323 I HA -0.213 3.878 4.170 -0.132 0.000 0.242 323 I C 2.740 178.753 176.117 -0.175 0.000 1.088 323 I CA 1.146 62.392 61.300 -0.089 0.000 1.357 323 I CB -0.677 37.349 38.000 0.044 0.000 1.051 323 I HN 0.396 nan 8.210 nan 0.000 0.409 324 G N 0.515 109.298 108.800 -0.028 0.000 2.491 324 G HA2 -0.228 3.653 3.960 -0.132 0.000 0.218 324 G HA3 -0.228 3.653 3.960 -0.132 0.000 0.218 324 G C 1.706 176.674 174.900 0.114 0.000 1.180 324 G CA 1.185 46.310 45.100 0.042 0.000 0.774 324 G HN 0.244 nan 8.290 nan 0.000 0.562 325 V N 0.850 120.818 119.914 0.091 0.000 2.261 325 V HA -0.111 3.929 4.120 -0.132 0.000 0.246 325 V C 2.911 179.082 176.094 0.128 0.000 1.047 325 V CA 1.612 63.986 62.300 0.123 0.000 1.015 325 V CB -0.471 31.372 31.823 0.033 0.000 0.642 325 V HN 0.338 nan 8.190 nan 0.000 0.446 326 L N 0.486 121.716 121.223 0.011 0.000 2.275 326 L HA -0.058 4.203 4.340 -0.132 0.000 0.215 326 L C 2.404 179.207 176.870 -0.111 0.000 1.119 326 L CA 1.279 56.101 54.840 -0.031 0.000 0.790 326 L CB -0.854 41.162 42.059 -0.072 0.000 0.919 326 L HN 0.494 nan 8.230 nan 0.000 0.443 327 G N -1.161 107.499 108.800 -0.233 0.000 2.708 327 G HA2 -0.203 3.677 3.960 -0.132 0.000 0.210 327 G HA3 -0.203 3.677 3.960 -0.132 0.000 0.210 327 G C 1.071 175.778 174.900 -0.322 0.000 1.141 327 G CA 0.071 44.939 45.100 -0.387 0.000 0.788 327 G HN 0.286 nan 8.290 nan 0.000 0.531 328 F N -0.238 119.668 119.950 -0.073 0.000 2.749 328 F HA 0.182 4.629 4.527 -0.133 0.000 0.300 328 F C 1.783 177.673 175.800 0.150 0.000 1.103 328 F CA 0.117 58.053 58.000 -0.107 0.000 1.342 328 F CB 1.025 39.952 39.000 -0.121 0.000 1.098 328 F HN 0.085 nan 8.300 nan 0.000 0.586 329 V N -2.171 117.933 119.914 0.317 0.000 3.070 329 V HA 0.267 4.307 4.120 -0.132 0.000 0.345 329 V C 0.488 176.698 176.094 0.193 0.000 1.403 329 V CA 0.366 62.900 62.300 0.390 0.000 1.155 329 V CB -0.214 31.780 31.823 0.284 0.000 1.140 329 V HN 0.030 nan 8.190 nan 0.000 0.505 330 V N -3.863 116.132 119.914 0.134 0.000 3.432 330 V HA 0.280 4.320 4.120 -0.132 0.000 0.298 330 V C 1.759 177.670 176.094 -0.305 0.000 1.464 330 V CA 0.363 62.639 62.300 -0.040 0.000 1.046 330 V CB -0.568 31.137 31.823 -0.197 0.000 0.887 330 V HN 0.736 nan 8.190 nan 0.000 0.441 331 W N 2.312 123.546 121.300 -0.110 0.000 2.331 331 W HA -0.016 4.566 4.660 -0.131 0.000 0.291 331 W C 1.825 178.045 176.519 -0.498 0.000 1.214 331 W CA 1.889 59.112 57.345 -0.203 0.000 1.228 331 W CB -0.946 28.566 29.460 0.085 0.000 1.135 331 W HN 0.243 nan 8.180 nan 0.000 0.537 332 A N 1.658 123.609 122.820 -1.448 0.000 2.235 332 A HA -0.102 4.139 4.320 -0.132 0.000 0.208 332 A C 1.830 178.788 177.584 -1.044 0.000 1.172 332 A CA 0.998 52.251 52.037 -1.307 0.000 0.786 332 A CB -1.769 16.046 19.000 -1.975 0.000 0.804 332 A HN 0.786 nan 8.150 nan 0.000 0.479 333 H N -2.398 116.111 119.070 -0.936 0.000 2.543 333 H HA -0.056 4.420 4.556 -0.133 0.000 0.286 333 H C 0.689 175.267 175.328 -1.250 0.000 1.037 333 H CA 1.071 56.318 56.048 -1.336 0.000 1.250 333 H CB -0.381 28.876 29.762 -0.842 0.000 1.373 333 H HN 0.664 nan 8.280 nan 0.000 0.580 334 H N 0.340 118.969 119.070 -0.734 0.000 2.533 334 H HA 0.198 4.675 4.556 -0.132 0.000 0.271 334 H C 0.637 175.598 175.328 -0.612 0.000 1.000 334 H CA 0.334 55.899 56.048 -0.804 0.000 1.149 334 H CB 0.422 29.117 29.762 -1.780 0.000 1.375 334 H HN 0.505 nan 8.280 nan 0.000 0.582 335 M N -0.842 118.460 119.600 -0.498 0.000 2.540 335 M HA 0.068 4.469 4.480 -0.132 0.000 0.404 335 M C 0.343 176.516 176.300 -0.211 0.000 1.133 335 M CA -0.166 54.950 55.300 -0.308 0.000 0.900 335 M CB 0.664 33.097 32.600 -0.277 0.000 1.540 335 M HN -0.040 nan 8.290 nan 0.000 0.539 336 Y N 1.015 121.162 120.300 -0.255 0.000 2.315 336 Y HA -0.145 4.326 4.550 -0.132 0.000 0.288 336 Y C 2.721 178.525 175.900 -0.160 0.000 1.154 336 Y CA 1.796 59.789 58.100 -0.179 0.000 1.229 336 Y CB -0.893 37.479 38.460 -0.147 0.000 0.980 336 Y HN 0.370 nan 8.280 nan 0.000 0.540 337 T N -4.422 110.078 114.554 -0.091 0.000 3.092 337 T HA 0.497 4.767 4.350 -0.132 0.000 0.258 337 T C 1.525 176.207 174.700 -0.030 0.000 1.031 337 T CA 0.298 62.360 62.100 -0.063 0.000 0.925 337 T CB -0.034 68.787 68.868 -0.077 0.000 1.036 337 T HN 0.150 nan 8.240 nan 0.000 0.544 338 A N 0.858 123.654 122.820 -0.040 0.000 2.218 338 A HA 0.668 4.908 4.320 -0.132 0.000 0.209 338 A C 1.774 179.369 177.584 0.019 0.000 1.168 338 A CA 0.301 52.335 52.037 -0.006 0.000 0.804 338 A CB -0.690 18.287 19.000 -0.039 0.000 0.834 338 A HN 1.389 nan 8.150 nan 0.000 0.482 339 G N -0.881 107.937 108.800 0.030 0.000 2.155 339 G HA2 -0.110 3.771 3.960 -0.132 0.000 0.135 339 G HA3 -0.110 3.771 3.960 -0.132 0.000 0.135 339 G C -0.146 174.797 174.900 0.072 0.000 1.023 339 G CA -0.211 44.920 45.100 0.051 0.000 0.688 339 G HN 0.309 nan 8.290 nan 0.000 0.499 340 L N 2.048 123.317 121.223 0.076 0.000 2.397 340 L HA 0.482 4.742 4.340 -0.132 0.000 0.271 340 L C 1.653 178.583 176.870 0.100 0.000 1.148 340 L CA -0.018 54.889 54.840 0.112 0.000 0.825 340 L CB 1.085 43.220 42.059 0.126 0.000 1.117 340 L HN 0.508 nan 8.230 nan 0.000 0.456 341 S N 2.071 117.836 115.700 0.109 0.000 2.580 341 S HA -0.012 4.378 4.470 -0.132 0.000 0.266 341 S C 0.896 175.544 174.600 0.081 0.000 1.354 341 S CA -0.595 57.656 58.200 0.085 0.000 1.008 341 S CB 0.765 64.015 63.200 0.084 0.000 0.898 341 S HN 0.572 nan 8.310 nan 0.000 0.555 342 L N 1.839 123.094 121.223 0.053 0.000 2.131 342 L HA -0.014 4.247 4.340 -0.132 0.000 0.210 342 L C 2.426 179.327 176.870 0.052 0.000 1.092 342 L CA 2.220 57.081 54.840 0.035 0.000 0.759 342 L CB -1.669 40.399 42.059 0.016 0.000 0.903 342 L HN 0.981 nan 8.230 nan 0.000 0.435 343 T N -0.988 113.604 114.554 0.064 0.000 2.737 343 T HA -0.193 4.078 4.350 -0.132 0.000 0.265 343 T C 1.797 176.575 174.700 0.129 0.000 1.038 343 T CA 1.651 63.794 62.100 0.072 0.000 1.144 343 T CB -0.160 68.739 68.868 0.051 0.000 0.866 343 T HN 0.435 nan 8.240 nan 0.000 0.434 344 Q N 0.887 120.791 119.800 0.174 0.000 2.061 344 Q HA -0.156 4.104 4.340 -0.132 0.000 0.204 344 Q C 2.618 178.863 176.000 0.408 0.000 0.984 344 Q CA 1.491 57.484 55.803 0.317 0.000 0.846 344 Q CB -0.216 28.714 28.738 0.320 0.000 0.902 344 Q HN 0.588 nan 8.270 nan 0.000 0.421 345 Q N -0.247 119.710 119.800 0.262 0.000 2.096 345 Q HA -0.155 4.106 4.340 -0.132 0.000 0.204 345 Q C 2.282 178.368 176.000 0.143 0.000 0.982 345 Q CA 1.540 57.478 55.803 0.224 0.000 0.850 345 Q CB -0.025 28.733 28.738 0.034 0.000 0.901 345 Q HN 0.245 nan 8.270 nan 0.000 0.422 346 S N 0.066 115.818 115.700 0.086 0.000 2.355 346 S HA -0.167 4.223 4.470 -0.132 0.000 0.222 346 S C 1.600 176.226 174.600 0.043 0.000 1.031 346 S CA 1.148 59.368 58.200 0.034 0.000 0.993 346 S CB -0.422 62.794 63.200 0.025 0.000 0.859 346 S HN 0.451 nan 8.310 nan 0.000 0.453 347 Y N 1.860 122.144 120.300 -0.026 0.000 2.070 347 Y HA -0.199 4.271 4.550 -0.133 0.000 0.280 347 Y C 1.789 177.591 175.900 -0.164 0.000 1.148 347 Y CA 1.396 59.405 58.100 -0.152 0.000 1.125 347 Y CB -0.924 37.352 38.460 -0.306 0.000 0.975 347 Y HN 0.199 nan 8.280 nan 0.000 0.492 348 F N 0.156 119.846 119.950 -0.432 0.000 2.269 348 F HA -0.247 4.201 4.527 -0.132 0.000 0.301 348 F C 2.744 178.393 175.800 -0.251 0.000 1.082 348 F CA 1.787 59.469 58.000 -0.530 0.000 1.360 348 F CB -0.630 38.211 39.000 -0.265 0.000 1.041 348 F HN 0.224 nan 8.300 nan 0.000 0.512 349 M N -0.507 119.150 119.600 0.096 0.000 2.117 349 M HA -0.241 4.159 4.480 -0.132 0.000 0.262 349 M C 2.018 178.283 176.300 -0.058 0.000 1.065 349 M CA 1.811 57.157 55.300 0.077 0.000 1.114 349 M CB -0.138 32.458 32.600 -0.007 0.000 1.361 349 M HN 0.159 nan 8.290 nan 0.000 0.408 350 M N -0.178 119.334 119.600 -0.146 0.000 2.156 350 M HA -0.039 4.361 4.480 -0.132 0.000 0.264 350 M C 2.429 178.614 176.300 -0.192 0.000 1.067 350 M CA 1.439 56.654 55.300 -0.143 0.000 1.131 350 M CB -0.607 31.933 32.600 -0.099 0.000 1.368 350 M HN 0.498 nan 8.290 nan 0.000 0.416 351 A N 0.256 122.839 122.820 -0.394 0.000 1.940 351 A HA -0.167 4.073 4.320 -0.132 0.000 0.219 351 A C 2.197 179.676 177.584 -0.175 0.000 1.176 351 A CA 2.355 54.186 52.037 -0.343 0.000 0.631 351 A CB -1.214 17.395 19.000 -0.653 0.000 0.814 351 A HN 0.470 nan 8.150 nan 0.000 0.446 352 T N 0.058 114.538 114.554 -0.123 0.000 2.746 352 T HA -0.137 4.133 4.350 -0.132 0.000 0.267 352 T C 1.931 176.611 174.700 -0.033 0.000 1.039 352 T CA 1.767 63.856 62.100 -0.018 0.000 1.142 352 T CB -0.317 68.588 68.868 0.063 0.000 0.866 352 T HN 0.473 nan 8.240 nan 0.000 0.444 353 M N 0.569 120.141 119.600 -0.047 0.000 2.159 353 M HA -0.085 4.316 4.480 -0.132 0.000 0.263 353 M C 2.430 178.714 176.300 -0.027 0.000 1.063 353 M CA 1.115 56.393 55.300 -0.036 0.000 1.110 353 M CB -0.631 31.946 32.600 -0.039 0.000 1.374 353 M HN 0.094 nan 8.290 nan 0.000 0.411 354 V N 0.731 120.621 119.914 -0.039 0.000 2.255 354 V HA -0.292 3.749 4.120 -0.132 0.000 0.247 354 V C 2.189 178.274 176.094 -0.014 0.000 1.051 354 V CA 1.975 64.258 62.300 -0.028 0.000 1.018 354 V CB -0.538 31.262 31.823 -0.038 0.000 0.641 354 V HN 0.471 nan 8.190 nan 0.000 0.445 355 I N 0.227 120.785 120.570 -0.019 0.000 2.530 355 I HA -0.256 3.835 4.170 -0.132 0.000 0.257 355 I C 2.342 178.488 176.117 0.048 0.000 1.179 355 I CA 1.242 62.540 61.300 -0.004 0.000 1.440 355 I CB -0.237 37.738 38.000 -0.041 0.000 1.087 355 I HN 0.327 nan 8.210 nan 0.000 0.440 356 A N -0.278 122.566 122.820 0.041 0.000 2.070 356 A HA -0.117 4.124 4.320 -0.132 0.000 0.220 356 A C 2.212 179.819 177.584 0.039 0.000 1.159 356 A CA 1.534 53.601 52.037 0.049 0.000 0.656 356 A CB -0.612 18.398 19.000 0.017 0.000 0.800 356 A HN 0.347 nan 8.150 nan 0.000 0.453 357 V N 0.939 120.869 119.914 0.028 0.000 2.283 357 V HA -0.099 3.941 4.120 -0.132 0.000 0.243 357 V C -0.209 175.899 176.094 0.024 0.000 1.039 357 V CA 2.088 64.404 62.300 0.027 0.000 1.016 357 V CB -1.414 30.422 31.823 0.022 0.000 0.650 357 V HN 0.414 nan 8.190 nan 0.000 0.449 358 P HA -0.094 nan 4.420 nan 0.000 0.220 358 P C 1.524 178.825 177.300 0.002 0.000 1.148 358 P CA 1.514 64.621 63.100 0.011 0.000 0.803 358 P CB -0.102 31.607 31.700 0.016 0.000 0.782 359 T N -0.278 114.315 114.554 0.065 0.000 2.735 359 T HA 0.014 4.285 4.350 -0.132 0.000 0.256 359 T C 2.168 176.923 174.700 0.092 0.000 1.042 359 T CA 1.631 63.824 62.100 0.155 0.000 1.147 359 T CB -1.212 67.851 68.868 0.325 0.000 0.865 359 T HN 0.134 nan 8.240 nan 0.000 0.421 360 G N 1.402 110.232 108.800 0.050 0.000 2.498 360 G HA2 -0.105 3.776 3.960 -0.132 0.000 0.219 360 G HA3 -0.105 3.776 3.960 -0.132 0.000 0.219 360 G C 1.338 176.056 174.900 -0.304 0.000 1.119 360 G CA 0.335 45.391 45.100 -0.073 0.000 0.766 360 G HN 0.328 nan 8.290 nan 0.000 0.552 361 I N 0.847 121.297 120.570 -0.200 0.000 2.277 361 I HA -0.002 4.088 4.170 -0.132 0.000 0.243 361 I C 2.458 178.411 176.117 -0.273 0.000 1.094 361 I CA 0.758 61.947 61.300 -0.185 0.000 1.393 361 I CB -1.031 36.979 38.000 0.017 0.000 1.078 361 I HN 0.144 nan 8.210 nan 0.000 0.417 362 K N 0.451 120.640 120.400 -0.352 0.000 2.293 362 K HA -0.183 4.057 4.320 -0.132 0.000 0.204 362 K C 1.950 178.109 176.600 -0.735 0.000 1.045 362 K CA 1.016 56.893 56.287 -0.684 0.000 0.933 362 K CB -0.077 31.823 32.500 -1.000 0.000 0.736 362 K HN 0.243 nan 8.250 nan 0.000 0.463 363 I N 0.254 120.632 120.570 -0.321 0.000 2.208 363 I HA -0.256 3.834 4.170 -0.132 0.000 0.245 363 I C 1.960 178.079 176.117 0.003 0.000 1.097 363 I CA 1.616 62.924 61.300 0.013 0.000 1.363 363 I CB -0.906 37.017 38.000 -0.128 0.000 1.051 363 I HN 0.051 nan 8.210 nan 0.000 0.413 364 F N 1.240 121.172 119.950 -0.030 0.000 2.186 364 F HA -0.100 4.348 4.527 -0.132 0.000 0.299 364 F C 2.851 178.541 175.800 -0.184 0.000 1.090 364 F CA 0.867 58.810 58.000 -0.094 0.000 1.307 364 F CB -1.407 37.515 39.000 -0.129 0.000 1.019 364 F HN -0.017 nan 8.300 nan 0.000 0.489 365 S N -1.062 114.605 115.700 -0.055 0.000 2.383 365 S HA -0.172 4.219 4.470 -0.132 0.000 0.227 365 S C 1.905 176.490 174.600 -0.026 0.000 1.026 365 S CA 0.902 59.023 58.200 -0.131 0.000 0.981 365 S CB -0.375 62.734 63.200 -0.151 0.000 0.818 365 S HN 0.384 nan 8.310 nan 0.000 0.472 366 W N 1.591 122.912 121.300 0.034 0.000 2.388 366 W HA 0.107 4.687 4.660 -0.133 0.000 0.294 366 W C 1.963 178.520 176.519 0.064 0.000 1.212 366 W CA 0.202 57.575 57.345 0.046 0.000 1.271 366 W CB -1.000 28.480 29.460 0.033 0.000 1.126 366 W HN 0.321 nan 8.180 nan 0.000 0.535 367 I N 0.224 120.963 120.570 0.282 0.000 2.315 367 I HA -0.225 3.866 4.170 -0.132 0.000 0.248 367 I C 2.547 178.773 176.117 0.182 0.000 1.117 367 I CA 1.371 62.813 61.300 0.237 0.000 1.404 367 I CB -0.965 37.182 38.000 0.245 0.000 1.071 367 I HN -0.204 nan 8.210 nan 0.000 0.419 368 A N 0.592 123.399 122.820 -0.021 0.000 1.969 368 A HA -0.164 4.076 4.320 -0.132 0.000 0.218 368 A C 2.360 179.988 177.584 0.074 0.000 1.169 368 A CA 2.167 54.083 52.037 -0.201 0.000 0.635 368 A CB -0.968 17.419 19.000 -1.021 0.000 0.810 368 A HN 0.383 nan 8.150 nan 0.000 0.445 369 T N 0.377 115.029 114.554 0.164 0.000 2.746 369 T HA -0.155 4.116 4.350 -0.132 0.000 0.267 369 T C 1.911 176.724 174.700 0.189 0.000 1.039 369 T CA 1.799 64.042 62.100 0.239 0.000 1.142 369 T CB -0.332 68.690 68.868 0.257 0.000 0.866 369 T HN 0.495 nan 8.240 nan 0.000 0.444 370 M N -0.576 119.135 119.600 0.185 0.000 2.229 370 M HA 0.016 4.417 4.480 -0.132 0.000 0.264 370 M C 1.075 177.452 176.300 0.129 0.000 1.063 370 M CA 0.600 55.977 55.300 0.130 0.000 1.114 370 M CB -0.187 32.489 32.600 0.125 0.000 1.387 370 M HN 0.300 nan 8.290 nan 0.000 0.420 371 W N 2.076 123.387 121.300 0.019 0.000 2.322 371 W HA 0.127 4.707 4.660 -0.133 0.000 0.328 371 W C 0.894 177.425 176.519 0.020 0.000 1.395 371 W CA 1.768 59.118 57.345 0.009 0.000 1.267 371 W CB 0.177 29.628 29.460 -0.015 0.000 1.259 371 W HN 0.611 nan 8.180 nan 0.000 0.560 372 G N 3.655 112.380 108.800 -0.125 0.000 2.184 372 G HA2 -0.265 3.615 3.960 -0.132 0.000 0.264 372 G HA3 -0.265 3.615 3.960 -0.132 0.000 0.264 372 G C 0.421 175.308 174.900 -0.023 0.000 0.975 372 G CA 0.156 45.240 45.100 -0.026 0.000 0.642 372 G HN 0.925 nan 8.290 nan 0.000 0.536 373 G N -0.755 108.022 108.800 -0.038 0.000 2.508 373 G HA2 0.524 4.405 3.960 -0.132 0.000 0.278 373 G HA3 0.524 4.405 3.960 -0.132 0.000 0.278 373 G C 0.241 175.095 174.900 -0.077 0.000 1.389 373 G CA 0.708 45.776 45.100 -0.054 0.000 1.050 373 G HN 1.164 nan 8.290 nan 0.000 0.522 374 S N -0.423 115.225 115.700 -0.086 0.000 2.399 374 S HA 0.424 4.815 4.470 -0.132 0.000 0.215 374 S C -0.232 174.337 174.600 -0.052 0.000 1.456 374 S CA -0.603 57.556 58.200 -0.068 0.000 1.199 374 S CB -0.401 62.762 63.200 -0.061 0.000 1.063 374 S HN 0.363 nan 8.310 nan 0.000 0.476 375 I N 3.526 124.068 120.570 -0.047 0.000 2.396 375 I HA 0.285 4.375 4.170 -0.132 0.000 0.289 375 I C 0.539 176.650 176.117 -0.009 0.000 1.056 375 I CA -0.071 61.211 61.300 -0.030 0.000 1.365 375 I CB 0.862 38.833 38.000 -0.049 0.000 1.407 375 I HN 0.536 nan 8.210 nan 0.000 0.509 376 E N 7.064 127.285 120.200 0.035 0.000 2.145 376 E HA 0.314 4.585 4.350 -0.132 0.000 0.270 376 E C -0.576 175.993 176.600 -0.052 0.000 0.906 376 E CA -0.636 55.794 56.400 0.050 0.000 0.761 376 E CB 1.124 30.929 29.700 0.175 0.000 1.116 376 E HN 0.601 nan 8.360 nan 0.000 0.408 377 L N 5.273 126.435 121.223 -0.102 0.000 2.873 377 L HA 0.177 4.438 4.340 -0.132 0.000 0.236 377 L C 0.452 177.153 176.870 -0.281 0.000 1.375 377 L CA -0.177 54.538 54.840 -0.208 0.000 1.239 377 L CB -0.485 41.484 42.059 -0.149 0.000 1.603 377 L HN 0.258 nan 8.230 nan 0.000 0.430 378 K N -0.135 120.028 120.400 -0.396 0.000 2.180 378 K HA 0.140 4.381 4.320 -0.132 0.000 0.251 378 K C 1.388 177.669 176.600 -0.532 0.000 1.014 378 K CA -0.098 55.956 56.287 -0.387 0.000 0.913 378 K CB 0.943 33.170 32.500 -0.455 0.000 1.008 378 K HN 0.072 nan 8.250 nan 0.000 0.490 379 T N 2.513 116.874 114.554 -0.323 0.000 2.649 379 T HA -0.145 4.125 4.350 -0.132 0.000 0.268 379 T C -1.073 173.337 174.700 -0.484 0.000 1.036 379 T CA 1.762 63.574 62.100 -0.481 0.000 1.157 379 T CB -0.832 67.726 68.868 -0.518 0.000 0.861 379 T HN 0.487 nan 8.240 nan 0.000 0.445 380 P HA -0.018 nan 4.420 nan 0.000 0.218 380 P C 1.535 178.577 177.300 -0.431 0.000 1.149 380 P CA 0.835 63.785 63.100 -0.251 0.000 0.817 380 P CB -0.096 31.464 31.700 -0.234 0.000 0.785 381 M N -1.150 117.996 119.600 -0.757 0.000 2.200 381 M HA -0.045 4.356 4.480 -0.132 0.000 0.265 381 M C 1.781 177.761 176.300 -0.534 0.000 1.066 381 M CA 1.649 56.599 55.300 -0.582 0.000 1.127 381 M CB -1.316 30.908 32.600 -0.627 0.000 1.379 381 M HN -0.199 nan 8.290 nan 0.000 0.420 382 L N -1.568 119.186 121.223 -0.782 0.000 2.012 382 L HA -0.225 4.035 4.340 -0.132 0.000 0.210 382 L C 2.215 178.420 176.870 -1.108 0.000 1.073 382 L CA 1.707 55.779 54.840 -1.279 0.000 0.748 382 L CB -0.955 39.886 42.059 -2.030 0.000 0.891 382 L HN 0.413 nan 8.230 nan 0.000 0.431 383 W N -0.252 120.680 121.300 -0.614 0.000 2.338 383 W HA -0.235 4.347 4.660 -0.131 0.000 0.304 383 W C 2.738 179.309 176.519 0.086 0.000 1.212 383 W CA 0.927 58.220 57.345 -0.087 0.000 1.264 383 W CB -0.469 28.932 29.460 -0.097 0.000 1.142 383 W HN 0.128 nan 8.180 nan 0.000 0.512 384 A N 0.131 122.993 122.820 0.070 0.000 1.933 384 A HA -0.159 4.082 4.320 -0.132 0.000 0.218 384 A C 1.939 179.551 177.584 0.047 0.000 1.175 384 A CA 1.528 53.548 52.037 -0.029 0.000 0.628 384 A CB -0.956 17.911 19.000 -0.222 0.000 0.814 384 A HN 0.327 nan 8.150 nan 0.000 0.444 385 L N -0.955 120.250 121.223 -0.029 0.000 2.109 385 L HA -0.033 4.228 4.340 -0.132 0.000 0.207 385 L C 2.832 179.803 176.870 0.168 0.000 1.086 385 L CA 0.821 55.670 54.840 0.015 0.000 0.760 385 L CB -0.880 41.107 42.059 -0.120 0.000 0.910 385 L HN 0.469 nan 8.230 nan 0.000 0.437 386 G N 0.233 109.195 108.800 0.270 0.000 2.446 386 G HA2 -0.357 3.523 3.960 -0.132 0.000 0.217 386 G HA3 -0.357 3.523 3.960 -0.132 0.000 0.217 386 G C 1.513 176.700 174.900 0.479 0.000 1.168 386 G CA 0.821 46.261 45.100 0.567 0.000 0.771 386 G HN 0.301 nan 8.290 nan 0.000 0.551 387 F N 1.425 121.590 119.950 0.357 0.000 2.091 387 F HA -0.130 4.317 4.527 -0.133 0.000 0.299 387 F C 2.509 178.397 175.800 0.147 0.000 1.103 387 F CA 1.598 59.704 58.000 0.178 0.000 1.228 387 F CB -0.243 38.812 39.000 0.092 0.000 0.984 387 F HN 0.075 nan 8.300 nan 0.000 0.477 388 L N -1.066 120.346 121.223 0.316 0.000 2.012 388 L HA -0.221 4.040 4.340 -0.132 0.000 0.210 388 L C 2.442 179.432 176.870 0.201 0.000 1.073 388 L CA 1.681 56.667 54.840 0.242 0.000 0.748 388 L CB -1.083 41.126 42.059 0.251 0.000 0.891 388 L HN 0.265 nan 8.230 nan 0.000 0.431 389 F N 0.906 120.928 119.950 0.120 0.000 2.075 389 F HA -0.208 4.239 4.527 -0.133 0.000 0.297 389 F C 2.204 178.052 175.800 0.080 0.000 1.113 389 F CA 1.634 59.710 58.000 0.128 0.000 1.218 389 F CB -0.215 38.916 39.000 0.219 0.000 0.984 389 F HN -0.157 nan 8.300 nan 0.000 0.472 390 L N -1.197 120.040 121.223 0.024 0.000 2.109 390 L HA -0.156 4.105 4.340 -0.132 0.000 0.207 390 L C 2.393 179.162 176.870 -0.167 0.000 1.086 390 L CA 1.165 55.949 54.840 -0.095 0.000 0.760 390 L CB -0.899 41.079 42.059 -0.134 0.000 0.910 390 L HN 0.192 nan 8.230 nan 0.000 0.437 391 F N 0.913 120.605 119.950 -0.429 0.000 2.216 391 F HA -0.212 4.235 4.527 -0.133 0.000 0.300 391 F C 2.403 178.046 175.800 -0.263 0.000 1.085 391 F CA 1.756 59.488 58.000 -0.445 0.000 1.326 391 F CB -0.272 38.251 39.000 -0.794 0.000 1.027 391 F HN -0.047 nan 8.300 nan 0.000 0.497 392 T N -0.329 114.122 114.554 -0.172 0.000 2.737 392 T HA -0.147 4.124 4.350 -0.132 0.000 0.265 392 T C 2.208 176.704 174.700 -0.340 0.000 1.038 392 T CA 1.536 63.504 62.100 -0.219 0.000 1.144 392 T CB -0.662 68.131 68.868 -0.125 0.000 0.866 392 T HN 0.093 nan 8.240 nan 0.000 0.434 393 V N 1.482 121.125 119.914 -0.451 0.000 2.287 393 V HA -0.139 3.901 4.120 -0.132 0.000 0.248 393 V C 2.849 178.644 176.094 -0.498 0.000 1.053 393 V CA 2.107 64.079 62.300 -0.547 0.000 1.027 393 V CB -1.312 30.042 31.823 -0.782 0.000 0.646 393 V HN 0.614 nan 8.190 nan 0.000 0.447 394 G N -0.332 108.224 108.800 -0.407 0.000 2.402 394 G HA2 -0.116 3.765 3.960 -0.132 0.000 0.216 394 G HA3 -0.116 3.765 3.960 -0.132 0.000 0.216 394 G C 1.614 176.334 174.900 -0.301 0.000 1.162 394 G CA 0.851 45.744 45.100 -0.344 0.000 0.777 394 G HN 0.590 nan 8.290 nan 0.000 0.539 395 G N 0.133 108.661 108.800 -0.454 0.000 2.408 395 G HA2 -0.103 3.777 3.960 -0.132 0.000 0.217 395 G HA3 -0.103 3.777 3.960 -0.132 0.000 0.217 395 G C 1.695 176.483 174.900 -0.186 0.000 1.150 395 G CA 0.978 45.860 45.100 -0.363 0.000 0.776 395 G HN 0.306 nan 8.290 nan 0.000 0.542 396 V N 1.578 121.370 119.914 -0.203 0.000 2.548 396 V HA -0.129 3.912 4.120 -0.132 0.000 0.249 396 V C 3.284 179.299 176.094 -0.133 0.000 1.055 396 V CA 2.409 64.616 62.300 -0.155 0.000 1.065 396 V CB -0.314 31.406 31.823 -0.171 0.000 0.681 396 V HN 0.663 nan 8.190 nan 0.000 0.462 397 T N -2.928 111.536 114.554 -0.150 0.000 2.985 397 T HA 0.005 4.276 4.350 -0.132 0.000 0.266 397 T C 1.948 176.569 174.700 -0.131 0.000 1.076 397 T CA 1.068 63.099 62.100 -0.115 0.000 1.135 397 T CB -0.349 68.362 68.868 -0.262 0.000 0.890 397 T HN 0.426 nan 8.240 nan 0.000 0.480 398 G N 2.235 110.937 108.800 -0.164 0.000 2.440 398 G HA2 -0.113 3.767 3.960 -0.132 0.000 0.218 398 G HA3 -0.113 3.767 3.960 -0.132 0.000 0.218 398 G C 1.436 176.198 174.900 -0.230 0.000 1.154 398 G CA 0.846 45.713 45.100 -0.388 0.000 0.767 398 G HN 0.442 nan 8.290 nan 0.000 0.552 399 I N 1.034 121.526 120.570 -0.130 0.000 2.179 399 I HA -0.124 3.966 4.170 -0.132 0.000 0.242 399 I C 3.041 179.120 176.117 -0.063 0.000 1.088 399 I CA 0.526 61.774 61.300 -0.087 0.000 1.357 399 I CB -1.315 36.647 38.000 -0.062 0.000 1.051 399 I HN 0.040 nan 8.210 nan 0.000 0.409 400 V N 1.077 120.967 119.914 -0.039 0.000 2.282 400 V HA -0.288 3.752 4.120 -0.132 0.000 0.249 400 V C 2.609 178.718 176.094 0.025 0.000 1.057 400 V CA 1.766 64.073 62.300 0.011 0.000 1.032 400 V CB -0.674 31.187 31.823 0.064 0.000 0.645 400 V HN 0.346 nan 8.190 nan 0.000 0.447 401 L N 0.744 121.958 121.223 -0.015 0.000 2.201 401 L HA -0.114 4.146 4.340 -0.132 0.000 0.212 401 L C 2.682 179.566 176.870 0.024 0.000 1.105 401 L CA 1.475 56.316 54.840 0.001 0.000 0.775 401 L CB -0.645 41.332 42.059 -0.137 0.000 0.913 401 L HN 0.571 nan 8.230 nan 0.000 0.440 402 S N -1.222 114.449 115.700 -0.050 0.000 2.419 402 S HA -0.147 4.243 4.470 -0.132 0.000 0.233 402 S C 1.103 175.753 174.600 0.082 0.000 1.016 402 S CA 0.502 58.716 58.200 0.024 0.000 0.974 402 S CB -0.338 62.827 63.200 -0.058 0.000 0.786 402 S HN 0.330 nan 8.310 nan 0.000 0.492 403 Q N 1.523 121.319 119.800 -0.006 0.000 2.359 403 Q HA 0.465 4.726 4.340 -0.132 0.000 0.249 403 Q C 1.296 177.189 176.000 -0.178 0.000 1.181 403 Q CA 0.443 56.195 55.803 -0.086 0.000 0.897 403 Q CB 0.342 29.043 28.738 -0.063 0.000 1.424 403 Q HN 0.512 nan 8.270 nan 0.000 0.478 404 A N 2.975 125.508 122.820 -0.478 0.000 1.997 404 A HA -0.276 3.965 4.320 -0.132 0.000 0.221 404 A C 2.134 179.509 177.584 -0.348 0.000 1.172 404 A CA 2.241 53.784 52.037 -0.823 0.000 0.645 404 A CB -0.331 17.927 19.000 -1.237 0.000 0.813 404 A HN 0.719 nan 8.150 nan 0.000 0.454 405 S N -0.804 114.756 115.700 -0.233 0.000 2.402 405 S HA -0.070 4.320 4.470 -0.132 0.000 0.229 405 S C 1.605 176.141 174.600 -0.107 0.000 1.021 405 S CA 1.391 59.505 58.200 -0.143 0.000 0.974 405 S CB -0.591 62.538 63.200 -0.117 0.000 0.800 405 S HN 0.293 nan 8.310 nan 0.000 0.484 406 V N 1.979 121.833 119.914 -0.101 0.000 2.725 406 V HA 0.011 4.052 4.120 -0.132 0.000 0.247 406 V C 2.342 178.410 176.094 -0.043 0.000 1.058 406 V CA 1.469 63.704 62.300 -0.108 0.000 1.080 406 V CB -0.769 31.005 31.823 -0.081 0.000 0.713 406 V HN 0.444 nan 8.190 nan 0.000 0.465 407 D N 0.417 120.846 120.400 0.047 0.000 2.218 407 D HA -0.214 4.347 4.640 -0.132 0.000 0.204 407 D C 2.176 178.565 176.300 0.148 0.000 0.976 407 D CA 0.889 54.994 54.000 0.174 0.000 0.853 407 D CB -0.012 40.959 40.800 0.284 0.000 0.939 407 D HN 0.157 nan 8.370 nan 0.000 0.481 408 R N -0.961 119.569 120.500 0.050 0.000 2.119 408 R HA -0.221 4.040 4.340 -0.132 0.000 0.246 408 R C 1.981 178.314 176.300 0.055 0.000 1.146 408 R CA 1.579 57.705 56.100 0.043 0.000 0.962 408 R CB -0.899 29.400 30.300 -0.001 0.000 0.863 408 R HN 0.374 nan 8.270 nan 0.000 0.442 409 Y N -1.315 118.908 120.300 -0.129 0.000 2.243 409 Y HA -0.133 4.338 4.550 -0.132 0.000 0.293 409 Y C 1.357 177.180 175.900 -0.128 0.000 1.124 409 Y CA 1.471 59.451 58.100 -0.201 0.000 1.159 409 Y CB -0.081 38.121 38.460 -0.430 0.000 1.008 409 Y HN 0.090 nan 8.280 nan 0.000 0.527 410 Y N -1.030 119.384 120.300 0.190 0.000 2.475 410 Y HA 0.005 4.476 4.550 -0.132 0.000 0.289 410 Y C 0.918 176.878 175.900 0.100 0.000 1.121 410 Y CA 0.625 58.795 58.100 0.117 0.000 1.257 410 Y CB -1.171 37.280 38.460 -0.015 0.000 1.026 410 Y HN 0.096 nan 8.280 nan 0.000 0.555 411 H N 1.457 120.638 119.070 0.185 0.000 3.001 411 H HA 0.006 4.482 4.556 -0.133 0.000 0.334 411 H C 0.589 175.970 175.328 0.088 0.000 1.034 411 H CA 0.537 56.662 56.048 0.129 0.000 1.420 411 H CB 0.035 29.861 29.762 0.106 0.000 1.405 411 H HN 0.214 nan 8.280 nan 0.000 0.593 412 D N 2.492 122.483 120.400 -0.681 0.000 2.870 412 D HA -0.199 4.361 4.640 -0.132 0.000 0.228 412 D C -0.401 175.786 176.300 -0.190 0.000 1.147 412 D CA 1.415 55.149 54.000 -0.443 0.000 0.757 412 D CB -0.886 39.671 40.800 -0.404 0.000 1.091 412 D HN 0.759 nan 8.370 nan 0.000 0.429 413 T N -4.081 110.421 114.554 -0.088 0.000 2.926 413 T HA 0.434 4.705 4.350 -0.132 0.000 0.289 413 T C 1.083 175.775 174.700 -0.013 0.000 1.054 413 T CA -0.728 61.364 62.100 -0.013 0.000 1.015 413 T CB 1.049 69.989 68.868 0.121 0.000 1.167 413 T HN -0.068 nan 8.240 nan 0.000 0.526 414 Y N -0.422 119.844 120.300 -0.057 0.000 2.569 414 Y HA 0.006 4.476 4.550 -0.132 0.000 0.293 414 Y C 2.020 177.855 175.900 -0.109 0.000 1.144 414 Y CA 0.943 58.989 58.100 -0.091 0.000 1.321 414 Y CB -0.559 37.811 38.460 -0.150 0.000 0.982 414 Y HN 0.836 nan 8.280 nan 0.000 0.558 415 Y N -0.754 119.522 120.300 -0.041 0.000 2.224 415 Y HA -0.251 4.220 4.550 -0.132 0.000 0.289 415 Y C 2.184 177.949 175.900 -0.225 0.000 1.146 415 Y CA 1.527 59.508 58.100 -0.199 0.000 1.182 415 Y CB -0.319 37.951 38.460 -0.317 0.000 0.983 415 Y HN -0.095 nan 8.280 nan 0.000 0.524 416 V N -1.144 118.790 119.914 0.034 0.000 2.358 416 V HA -0.291 3.750 4.120 -0.132 0.000 0.246 416 V C 2.282 178.289 176.094 -0.144 0.000 1.047 416 V CA 1.625 63.953 62.300 0.047 0.000 1.035 416 V CB -0.843 31.067 31.823 0.145 0.000 0.658 416 V HN 0.314 nan 8.190 nan 0.000 0.452 417 V N 0.651 120.356 119.914 -0.347 0.000 2.332 417 V HA -0.297 3.744 4.120 -0.132 0.000 0.248 417 V C 2.725 178.391 176.094 -0.713 0.000 1.055 417 V CA 2.137 63.970 62.300 -0.778 0.000 1.038 417 V CB -1.329 30.165 31.823 -0.549 0.000 0.651 417 V HN 0.556 nan 8.190 nan 0.000 0.450 418 A N -0.054 122.462 122.820 -0.506 0.000 1.858 418 A HA -0.293 3.948 4.320 -0.132 0.000 0.216 418 A C 2.124 179.421 177.584 -0.478 0.000 1.190 418 A CA 2.281 53.974 52.037 -0.574 0.000 0.617 418 A CB -0.929 17.354 19.000 -1.196 0.000 0.827 418 A HN 0.779 nan 8.150 nan 0.000 0.443 419 H N 0.209 118.949 119.070 -0.550 0.000 2.265 419 H HA -0.262 4.214 4.556 -0.132 0.000 0.293 419 H C 1.677 176.855 175.328 -0.251 0.000 1.089 419 H CA 2.899 58.735 56.048 -0.353 0.000 1.244 419 H CB -0.745 28.855 29.762 -0.270 0.000 1.355 419 H HN 0.612 nan 8.280 nan 0.000 0.485 420 F N -0.976 118.648 119.950 -0.542 0.000 2.325 420 F HA 0.075 4.522 4.527 -0.132 0.000 0.299 420 F C 2.035 177.430 175.800 -0.675 0.000 1.090 420 F CA 1.117 58.721 58.000 -0.660 0.000 1.392 420 F CB -1.098 37.682 39.000 -0.366 0.000 1.053 420 F HN 0.202 nan 8.300 nan 0.000 0.521 421 H N -1.414 117.157 119.070 -0.830 0.000 2.457 421 H HA -0.055 4.421 4.556 -0.133 0.000 0.294 421 H C 1.529 176.342 175.328 -0.858 0.000 1.064 421 H CA 2.271 57.722 56.048 -0.996 0.000 1.330 421 H CB -0.402 28.193 29.762 -1.945 0.000 1.395 421 H HN 0.337 nan 8.280 nan 0.000 0.541 422 Y N -0.271 119.677 120.300 -0.585 0.000 2.114 422 Y HA -0.216 4.255 4.550 -0.132 0.000 0.284 422 Y C 2.583 178.214 175.900 -0.447 0.000 1.119 422 Y CA 1.377 59.199 58.100 -0.463 0.000 1.108 422 Y CB -0.329 37.887 38.460 -0.407 0.000 0.995 422 Y HN 0.042 nan 8.280 nan 0.000 0.491 423 V N -1.498 118.174 119.914 -0.402 0.000 2.379 423 V HA -0.266 3.774 4.120 -0.132 0.000 0.245 423 V C 1.965 177.967 176.094 -0.152 0.000 1.044 423 V CA 2.112 64.158 62.300 -0.424 0.000 1.036 423 V CB -0.641 30.831 31.823 -0.586 0.000 0.664 423 V HN 0.469 nan 8.190 nan 0.000 0.453 424 M N 0.184 119.636 119.600 -0.247 0.000 2.544 424 M HA 0.010 4.410 4.480 -0.132 0.000 0.251 424 M C 2.419 178.615 176.300 -0.175 0.000 1.189 424 M CA 1.474 56.662 55.300 -0.186 0.000 1.218 424 M CB 0.336 32.774 32.600 -0.270 0.000 1.259 424 M HN 0.365 nan 8.290 nan 0.000 0.495 425 S N 1.499 117.047 115.700 -0.254 0.000 2.348 425 S HA -0.110 4.280 4.470 -0.132 0.000 0.221 425 S C 1.795 176.325 174.600 -0.116 0.000 1.033 425 S CA 1.450 59.518 58.200 -0.220 0.000 1.010 425 S CB -0.605 62.417 63.200 -0.297 0.000 0.891 425 S HN 0.459 nan 8.310 nan 0.000 0.442 426 L N 0.922 122.050 121.223 -0.158 0.000 2.240 426 L HA 0.066 4.327 4.340 -0.132 0.000 0.211 426 L C 2.722 179.624 176.870 0.054 0.000 1.106 426 L CA 0.808 55.617 54.840 -0.052 0.000 0.793 426 L CB -0.987 40.900 42.059 -0.286 0.000 0.927 426 L HN 0.417 nan 8.230 nan 0.000 0.446 427 G N 0.023 108.832 108.800 0.016 0.000 2.421 427 G HA2 -0.255 3.626 3.960 -0.132 0.000 0.216 427 G HA3 -0.255 3.626 3.960 -0.132 0.000 0.216 427 G C 1.782 176.912 174.900 0.382 0.000 1.171 427 G CA 0.829 46.062 45.100 0.221 0.000 0.775 427 G HN 0.434 nan 8.290 nan 0.000 0.543 428 A N -0.021 122.894 122.820 0.158 0.000 1.898 428 A HA 0.110 4.351 4.320 -0.132 0.000 0.216 428 A C 2.595 180.197 177.584 0.030 0.000 1.181 428 A CA 1.775 53.854 52.037 0.070 0.000 0.620 428 A CB -0.587 18.390 19.000 -0.040 0.000 0.819 428 A HN 0.256 nan 8.150 nan 0.000 0.442 429 V N -1.367 118.563 119.914 0.027 0.000 2.358 429 V HA -0.200 3.841 4.120 -0.132 0.000 0.246 429 V C 2.277 178.316 176.094 -0.092 0.000 1.047 429 V CA 1.866 64.088 62.300 -0.129 0.000 1.035 429 V CB -0.868 30.939 31.823 -0.028 0.000 0.658 429 V HN 0.540 nan 8.190 nan 0.000 0.452 430 F N 1.263 121.244 119.950 0.052 0.000 2.206 430 F HA 0.092 4.540 4.527 -0.133 0.000 0.298 430 F C 2.370 178.227 175.800 0.095 0.000 1.090 430 F CA 1.040 59.184 58.000 0.240 0.000 1.323 430 F CB -1.308 38.010 39.000 0.530 0.000 1.028 430 F HN 0.178 nan 8.300 nan 0.000 0.492 431 G N 0.283 109.223 108.800 0.234 0.000 2.440 431 G HA2 -0.233 3.647 3.960 -0.132 0.000 0.218 431 G HA3 -0.233 3.647 3.960 -0.132 0.000 0.218 431 G C 1.860 176.725 174.900 -0.059 0.000 1.154 431 G CA 1.054 46.143 45.100 -0.018 0.000 0.767 431 G HN 0.344 nan 8.290 nan 0.000 0.552 432 I N -0.208 120.318 120.570 -0.073 0.000 2.179 432 I HA -0.118 3.972 4.170 -0.132 0.000 0.242 432 I C 2.441 178.495 176.117 -0.105 0.000 1.088 432 I CA 0.855 62.132 61.300 -0.037 0.000 1.357 432 I CB -0.244 37.636 38.000 -0.201 0.000 1.051 432 I HN 0.039 nan 8.210 nan 0.000 0.409 433 F N 1.000 120.727 119.950 -0.372 0.000 2.171 433 F HA -0.161 4.287 4.527 -0.132 0.000 0.300 433 F C 2.613 178.111 175.800 -0.504 0.000 1.090 433 F CA 0.963 58.526 58.000 -0.728 0.000 1.293 433 F CB -1.349 36.521 39.000 -1.884 0.000 1.013 433 F HN 0.011 nan 8.300 nan 0.000 0.486 434 A N 0.361 123.056 122.820 -0.207 0.000 1.908 434 A HA -0.114 4.127 4.320 -0.132 0.000 0.218 434 A C 2.635 180.145 177.584 -0.125 0.000 1.181 434 A CA 1.982 53.978 52.037 -0.069 0.000 0.627 434 A CB -1.564 17.364 19.000 -0.119 0.000 0.818 434 A HN 0.402 nan 8.150 nan 0.000 0.445 435 G N -0.184 108.470 108.800 -0.243 0.000 2.418 435 G HA2 -0.161 3.719 3.960 -0.132 0.000 0.217 435 G HA3 -0.161 3.719 3.960 -0.132 0.000 0.217 435 G C 1.546 176.463 174.900 0.028 0.000 1.158 435 G CA 1.072 45.881 45.100 -0.485 0.000 0.771 435 G HN 0.474 nan 8.290 nan 0.000 0.545 436 I N -0.602 120.155 120.570 0.311 0.000 2.142 436 I HA -0.201 3.889 4.170 -0.132 0.000 0.240 436 I C 2.506 178.754 176.117 0.218 0.000 1.078 436 I CA 1.185 62.712 61.300 0.379 0.000 1.343 436 I CB -0.288 37.876 38.000 0.273 0.000 1.046 436 I HN 0.129 nan 8.210 nan 0.000 0.405 437 Y N -0.553 119.871 120.300 0.207 0.000 2.242 437 Y HA -0.264 4.207 4.550 -0.131 0.000 0.291 437 Y C 2.314 178.540 175.900 0.542 0.000 1.137 437 Y CA 1.491 59.663 58.100 0.120 0.000 1.181 437 Y CB -0.659 37.709 38.460 -0.154 0.000 0.989 437 Y HN 0.075 nan 8.280 nan 0.000 0.527 438 F N -1.117 119.053 119.950 0.366 0.000 2.126 438 F HA -0.264 4.183 4.527 -0.133 0.000 0.299 438 F C 1.439 177.665 175.800 0.711 0.000 1.096 438 F CA 1.599 59.809 58.000 0.351 0.000 1.255 438 F CB -0.288 38.477 39.000 -0.392 0.000 0.997 438 F HN 0.078 nan 8.300 nan 0.000 0.479 439 W N -1.005 120.602 121.300 0.511 0.000 2.998 439 W HA 0.245 4.827 4.660 -0.131 0.000 0.336 439 W C 2.017 178.743 176.519 0.345 0.000 1.112 439 W CA -0.382 57.159 57.345 0.327 0.000 1.682 439 W CB -0.726 28.765 29.460 0.051 0.000 1.065 439 W HN 0.006 nan 8.180 nan 0.000 0.570 440 I N 0.581 121.466 120.570 0.525 0.000 2.208 440 I HA -0.203 3.888 4.170 -0.132 0.000 0.245 440 I C 2.324 178.567 176.117 0.209 0.000 1.097 440 I CA 2.160 63.639 61.300 0.298 0.000 1.363 440 I CB -0.526 37.594 38.000 0.199 0.000 1.051 440 I HN -0.077 nan 8.210 nan 0.000 0.413 441 G N 0.554 109.465 108.800 0.185 0.000 2.440 441 G HA2 -0.359 3.521 3.960 -0.132 0.000 0.218 441 G HA3 -0.359 3.521 3.960 -0.132 0.000 0.218 441 G C 1.636 176.629 174.900 0.156 0.000 1.154 441 G CA 1.149 46.177 45.100 -0.120 0.000 0.767 441 G HN 0.290 nan 8.290 nan 0.000 0.552 442 K N 0.352 121.048 120.400 0.493 0.000 2.057 442 K HA 0.079 4.319 4.320 -0.132 0.000 0.207 442 K C 2.485 179.192 176.600 0.178 0.000 1.049 442 K CA 1.284 57.806 56.287 0.393 0.000 0.931 442 K CB -0.387 32.307 32.500 0.323 0.000 0.714 442 K HN 0.363 nan 8.250 nan 0.000 0.440 443 M N -0.255 119.406 119.600 0.102 0.000 2.288 443 M HA -0.048 4.353 4.480 -0.132 0.000 0.266 443 M C 1.844 178.164 176.300 0.034 0.000 1.072 443 M CA 1.655 56.915 55.300 -0.067 0.000 1.132 443 M CB 0.015 32.456 32.600 -0.265 0.000 1.386 443 M HN 0.311 nan 8.290 nan 0.000 0.432 444 S N -1.664 114.063 115.700 0.044 0.000 2.524 444 S HA 0.335 4.726 4.470 -0.132 0.000 0.222 444 S C 1.538 176.145 174.600 0.011 0.000 1.040 444 S CA 0.430 58.648 58.200 0.030 0.000 0.915 444 S CB 0.611 63.818 63.200 0.010 0.000 0.831 444 S HN 0.576 nan 8.310 nan 0.000 0.492 445 G N 1.502 110.307 108.800 0.008 0.000 2.179 445 G HA2 -0.236 3.644 3.960 -0.132 0.000 0.260 445 G HA3 -0.236 3.644 3.960 -0.132 0.000 0.260 445 G C 0.039 174.898 174.900 -0.069 0.000 0.977 445 G CA 0.170 45.257 45.100 -0.021 0.000 0.641 445 G HN 0.616 nan 8.290 nan 0.000 0.533 446 R N -0.528 119.924 120.500 -0.080 0.000 2.686 446 R HA 0.587 4.848 4.340 -0.132 0.000 0.286 446 R C -0.723 175.502 176.300 -0.125 0.000 0.969 446 R CA -0.924 55.111 56.100 -0.109 0.000 0.898 446 R CB 1.589 31.828 30.300 -0.101 0.000 1.183 446 R HN 0.160 nan 8.270 nan 0.000 0.456 447 Q N 1.918 121.620 119.800 -0.164 0.000 2.230 447 Q HA 0.208 4.469 4.340 -0.132 0.000 0.253 447 Q C -1.261 174.697 176.000 -0.071 0.000 0.919 447 Q CA -0.616 55.061 55.803 -0.211 0.000 0.908 447 Q CB 0.875 29.397 28.738 -0.359 0.000 1.245 447 Q HN 0.468 nan 8.270 nan 0.000 0.437 448 Y N 1.970 122.299 120.300 0.049 0.000 2.326 448 Y HA 0.635 5.106 4.550 -0.133 0.000 0.333 448 Y C -2.179 173.783 175.900 0.103 0.000 1.240 448 Y CA -2.659 55.512 58.100 0.118 0.000 1.365 448 Y CB -0.180 38.419 38.460 0.232 0.000 1.289 448 Y HN 0.469 nan 8.280 nan 0.000 0.548 449 P HA 0.078 nan 4.420 nan 0.000 0.282 449 P C -0.122 177.164 177.300 -0.022 0.000 1.262 449 P CA -0.129 62.934 63.100 -0.063 0.000 0.773 449 P CB 1.848 33.416 31.700 -0.220 0.000 0.879 450 E N 4.556 124.765 120.200 0.016 0.000 2.077 450 E HA -0.164 4.107 4.350 -0.132 0.000 0.193 450 E C 1.606 178.316 176.600 0.183 0.000 0.989 450 E CA 1.565 58.073 56.400 0.179 0.000 0.800 450 E CB -0.629 29.157 29.700 0.144 0.000 0.746 450 E HN 0.631 nan 8.360 nan 0.000 0.452 451 W N 0.041 121.438 121.300 0.162 0.000 2.363 451 W HA -0.044 4.537 4.660 -0.132 0.000 0.296 451 W C 1.725 178.378 176.519 0.222 0.000 1.212 451 W CA 1.108 58.543 57.345 0.150 0.000 1.260 451 W CB -0.971 28.552 29.460 0.105 0.000 1.131 451 W HN 0.156 nan 8.180 nan 0.000 0.530 452 A N 2.050 124.398 122.820 -0.786 0.000 1.929 452 A HA 0.088 4.329 4.320 -0.132 0.000 0.216 452 A C 2.407 180.042 177.584 0.086 0.000 1.176 452 A CA 2.032 53.710 52.037 -0.599 0.000 0.628 452 A CB -1.482 16.886 19.000 -1.054 0.000 0.816 452 A HN 0.373 nan 8.150 nan 0.000 0.444 453 G N 0.003 108.839 108.800 0.060 0.000 2.421 453 G HA2 -0.232 3.649 3.960 -0.132 0.000 0.216 453 G HA3 -0.232 3.649 3.960 -0.132 0.000 0.216 453 G C 1.679 176.503 174.900 -0.125 0.000 1.171 453 G CA 1.113 46.147 45.100 -0.110 0.000 0.775 453 G HN 0.566 nan 8.290 nan 0.000 0.543 454 K N -0.470 119.918 120.400 -0.020 0.000 2.057 454 K HA 0.020 4.260 4.320 -0.132 0.000 0.206 454 K C 2.356 179.077 176.600 0.202 0.000 1.050 454 K CA 0.905 57.203 56.287 0.019 0.000 0.935 454 K CB -0.304 32.285 32.500 0.149 0.000 0.715 454 K HN 0.254 nan 8.250 nan 0.000 0.439 455 L N 1.122 122.510 121.223 0.275 0.000 2.046 455 L HA -0.204 4.056 4.340 -0.132 0.000 0.208 455 L C 2.323 179.318 176.870 0.207 0.000 1.077 455 L CA 1.836 56.826 54.840 0.250 0.000 0.747 455 L CB -0.727 41.448 42.059 0.193 0.000 0.896 455 L HN 0.305 nan 8.230 nan 0.000 0.432 456 H N -1.620 117.592 119.070 0.238 0.000 2.290 456 H HA -0.290 4.187 4.556 -0.132 0.000 0.298 456 H C 2.180 177.544 175.328 0.060 0.000 1.087 456 H CA 2.094 58.319 56.048 0.294 0.000 1.291 456 H CB -0.287 29.765 29.762 0.483 0.000 1.369 456 H HN 0.446 nan 8.280 nan 0.000 0.492 457 F N 0.543 120.166 119.950 -0.546 0.000 2.065 457 F HA -0.256 4.191 4.527 -0.133 0.000 0.298 457 F C 1.956 177.321 175.800 -0.726 0.000 1.112 457 F CA 2.016 59.245 58.000 -1.284 0.000 1.212 457 F CB -0.802 37.148 39.000 -1.750 0.000 0.975 457 F HN 0.197 nan 8.300 nan 0.000 0.476 458 W N 0.241 121.369 121.300 -0.286 0.000 2.381 458 W HA -0.168 4.413 4.660 -0.132 0.000 0.301 458 W C 2.533 178.972 176.519 -0.133 0.000 1.205 458 W CA 1.236 58.445 57.345 -0.226 0.000 1.285 458 W CB -0.471 28.969 29.460 -0.033 0.000 1.133 458 W HN 0.032 nan 8.180 nan 0.000 0.521 459 M N -0.976 118.697 119.600 0.123 0.000 2.086 459 M HA -0.247 4.154 4.480 -0.132 0.000 0.261 459 M C 2.261 178.627 176.300 0.109 0.000 1.067 459 M CA 1.653 57.023 55.300 0.116 0.000 1.116 459 M CB -0.670 31.998 32.600 0.114 0.000 1.348 459 M HN 0.018 nan 8.290 nan 0.000 0.407 460 M N 0.046 119.690 119.600 0.074 0.000 2.132 460 M HA -0.151 4.250 4.480 -0.132 0.000 0.263 460 M C 1.881 178.262 176.300 0.135 0.000 1.065 460 M CA 1.801 57.190 55.300 0.148 0.000 1.122 460 M CB -0.608 32.097 32.600 0.175 0.000 1.365 460 M HN 0.208 nan 8.290 nan 0.000 0.411 461 F N -0.568 119.229 119.950 -0.254 0.000 2.134 461 F HA -0.165 4.282 4.527 -0.133 0.000 0.299 461 F C 1.809 177.597 175.800 -0.020 0.000 1.097 461 F CA 1.651 59.525 58.000 -0.210 0.000 1.264 461 F CB -0.190 38.322 39.000 -0.812 0.000 1.001 461 F HN -0.023 nan 8.300 nan 0.000 0.479 462 V N 0.055 120.007 119.914 0.064 0.000 2.323 462 V HA -0.179 3.862 4.120 -0.132 0.000 0.244 462 V C 2.734 178.816 176.094 -0.020 0.000 1.041 462 V CA 1.836 64.152 62.300 0.027 0.000 1.025 462 V CB -1.527 30.370 31.823 0.123 0.000 0.656 462 V HN 0.521 nan 8.190 nan 0.000 0.451 463 G N -0.096 108.720 108.800 0.028 0.000 2.491 463 G HA2 -0.272 3.608 3.960 -0.132 0.000 0.218 463 G HA3 -0.272 3.608 3.960 -0.132 0.000 0.218 463 G C 1.768 176.647 174.900 -0.035 0.000 1.180 463 G CA 1.245 46.356 45.100 0.019 0.000 0.774 463 G HN 0.610 nan 8.290 nan 0.000 0.562 464 A N 0.852 123.680 122.820 0.013 0.000 1.930 464 A HA -0.062 4.179 4.320 -0.132 0.000 0.217 464 A C 2.287 179.836 177.584 -0.058 0.000 1.175 464 A CA 1.742 53.797 52.037 0.031 0.000 0.627 464 A CB -0.423 18.674 19.000 0.162 0.000 0.815 464 A HN 0.371 nan 8.150 nan 0.000 0.443 465 N N 0.033 118.658 118.700 -0.124 0.000 2.142 465 N HA -0.076 4.585 4.740 -0.132 0.000 0.186 465 N C 1.712 177.234 175.510 0.020 0.000 1.023 465 N CA 1.244 54.273 53.050 -0.035 0.000 0.852 465 N CB -0.339 38.061 38.487 -0.145 0.000 0.998 465 N HN 0.480 nan 8.380 nan 0.000 0.424 466 L N 0.824 122.019 121.223 -0.047 0.000 2.093 466 L HA -0.129 4.131 4.340 -0.132 0.000 0.208 466 L C 2.218 179.006 176.870 -0.137 0.000 1.085 466 L CA 0.991 55.808 54.840 -0.038 0.000 0.755 466 L CB -0.547 41.487 42.059 -0.042 0.000 0.904 466 L HN 0.159 nan 8.230 nan 0.000 0.435 467 T N -0.554 113.816 114.554 -0.306 0.000 2.701 467 T HA -0.134 4.136 4.350 -0.132 0.000 0.263 467 T C 1.415 175.699 174.700 -0.693 0.000 1.040 467 T CA 1.573 63.279 62.100 -0.656 0.000 1.147 467 T CB -0.220 67.986 68.868 -1.102 0.000 0.865 467 T HN 0.133 nan 8.240 nan 0.000 0.426 468 F N -0.713 119.135 119.950 -0.169 0.000 2.582 468 F HA 0.389 4.836 4.527 -0.133 0.000 0.290 468 F C 1.753 177.494 175.800 -0.098 0.000 1.115 468 F CA -1.045 56.833 58.000 -0.204 0.000 1.445 468 F CB -0.623 38.156 39.000 -0.368 0.000 1.126 468 F HN 0.032 nan 8.300 nan 0.000 0.574 469 F N 2.266 122.286 119.950 0.115 0.000 2.126 469 F HA -0.088 4.360 4.527 -0.133 0.000 0.299 469 F C -0.747 174.794 175.800 -0.431 0.000 1.096 469 F CA 1.436 59.435 58.000 -0.002 0.000 1.255 469 F CB -1.422 37.560 39.000 -0.030 0.000 0.997 469 F HN -0.124 nan 8.300 nan 0.000 0.479 470 P HA -0.152 nan 4.420 nan 0.000 0.225 470 P C 0.963 178.016 177.300 -0.412 0.000 1.148 470 P CA 1.358 64.165 63.100 -0.489 0.000 0.779 470 P CB -0.164 31.566 31.700 0.049 0.000 0.780 471 Q N -1.659 117.930 119.800 -0.351 0.000 2.291 471 Q HA -0.168 4.092 4.340 -0.132 0.000 0.205 471 Q C 1.694 177.503 176.000 -0.319 0.000 0.970 471 Q CA 1.049 56.698 55.803 -0.257 0.000 0.876 471 Q CB -0.627 28.047 28.738 -0.107 0.000 0.935 471 Q HN 0.524 nan 8.270 nan 0.000 0.455 472 H N -0.521 118.229 119.070 -0.533 0.000 2.321 472 H HA -0.146 4.331 4.556 -0.132 0.000 0.300 472 H C 1.510 176.766 175.328 -0.120 0.000 1.087 472 H CA 1.646 57.393 56.048 -0.502 0.000 1.319 472 H CB -0.032 29.172 29.762 -0.929 0.000 1.379 472 H HN 0.196 nan 8.280 nan 0.000 0.501 473 F N 0.415 120.329 119.950 -0.059 0.000 2.134 473 F HA -0.130 4.318 4.527 -0.132 0.000 0.299 473 F C 2.264 178.132 175.800 0.113 0.000 1.097 473 F CA 0.824 58.796 58.000 -0.047 0.000 1.264 473 F CB -1.108 37.660 39.000 -0.387 0.000 1.001 473 F HN 0.077 nan 8.300 nan 0.000 0.479 474 L N -0.175 121.196 121.223 0.246 0.000 2.042 474 L HA -0.164 4.097 4.340 -0.132 0.000 0.210 474 L C 2.789 179.774 176.870 0.192 0.000 1.076 474 L CA 1.564 56.514 54.840 0.183 0.000 0.749 474 L CB -1.470 40.525 42.059 -0.105 0.000 0.893 474 L HN 0.285 nan 8.230 nan 0.000 0.432 475 G N -0.368 108.574 108.800 0.236 0.000 2.418 475 G HA2 -0.228 3.652 3.960 -0.132 0.000 0.217 475 G HA3 -0.228 3.652 3.960 -0.132 0.000 0.217 475 G C 1.725 176.932 174.900 0.512 0.000 1.158 475 G CA 0.432 45.742 45.100 0.350 0.000 0.771 475 G HN 0.275 nan 8.290 nan 0.000 0.545 476 R N -0.277 120.538 120.500 0.524 0.000 2.120 476 R HA -0.002 4.258 4.340 -0.132 0.000 0.234 476 R C 2.442 179.015 176.300 0.455 0.000 1.123 476 R CA 1.039 57.427 56.100 0.480 0.000 0.975 476 R CB -0.073 30.438 30.300 0.350 0.000 0.866 476 R HN 0.275 nan 8.270 nan 0.000 0.446 477 Q N -0.675 119.396 119.800 0.452 0.000 2.403 477 Q HA 0.070 4.331 4.340 -0.132 0.000 0.203 477 Q C 0.712 177.043 176.000 0.551 0.000 0.932 477 Q CA 0.857 56.942 55.803 0.471 0.000 0.945 477 Q CB 1.295 30.337 28.738 0.507 0.000 1.045 477 Q HN 0.582 nan 8.270 nan 0.000 0.511 478 G N 1.533 110.591 108.800 0.431 0.000 2.130 478 G HA2 -0.256 3.624 3.960 -0.132 0.000 0.216 478 G HA3 -0.256 3.624 3.960 -0.132 0.000 0.216 478 G C 0.038 174.980 174.900 0.070 0.000 0.999 478 G CA 0.227 45.447 45.100 0.201 0.000 0.686 478 G HN 0.326 nan 8.290 nan 0.000 0.515 479 M N 1.608 121.091 119.600 -0.195 0.000 2.251 479 M HA 0.357 4.758 4.480 -0.132 0.000 0.346 479 M C -1.999 174.119 176.300 -0.304 0.000 1.499 479 M CA -1.460 53.424 55.300 -0.694 0.000 1.128 479 M CB 0.629 32.511 32.600 -1.197 0.000 1.809 479 M HN 0.023 nan 8.290 nan 0.000 0.464 480 P HA 0.207 nan 4.420 nan 0.000 0.274 480 P C -1.072 176.032 177.300 -0.326 0.000 1.237 480 P CA -0.224 62.596 63.100 -0.465 0.000 0.793 480 P CB 0.527 31.707 31.700 -0.866 0.000 0.977 481 R N 1.253 121.621 120.500 -0.221 0.000 2.679 481 R HA 0.249 4.510 4.340 -0.132 0.000 0.269 481 R C 0.488 176.853 176.300 0.108 0.000 1.076 481 R CA -0.155 55.865 56.100 -0.132 0.000 1.160 481 R CB -0.026 30.201 30.300 -0.122 0.000 1.054 481 R HN 0.443 nan 8.270 nan 0.000 0.507 482 R N -0.141 120.543 120.500 0.306 0.000 3.656 482 R HA -0.191 4.069 4.340 -0.132 0.000 0.297 482 R C -1.263 175.397 176.300 0.599 0.000 1.166 482 R CA 0.618 57.032 56.100 0.523 0.000 0.799 482 R CB -1.632 28.875 30.300 0.346 0.000 1.285 482 R HN 0.404 nan 8.270 nan 0.000 0.477 483 Y N -0.142 120.216 120.300 0.096 0.000 2.331 483 Y HA 0.274 4.744 4.550 -0.133 0.000 0.338 483 Y C 1.442 176.824 175.900 -0.864 0.000 0.976 483 Y CA -1.650 56.322 58.100 -0.212 0.000 1.137 483 Y CB 0.994 39.414 38.460 -0.067 0.000 1.172 483 Y HN 0.089 nan 8.280 nan 0.000 0.478 484 I N 1.135 121.172 120.570 -0.889 0.000 2.493 484 I HA -0.142 3.949 4.170 -0.132 0.000 0.254 484 I C -0.100 175.668 176.117 -0.581 0.000 1.160 484 I CA 1.588 62.253 61.300 -1.058 0.000 1.445 484 I CB 0.285 38.053 38.000 -0.388 0.000 1.086 484 I HN 0.567 nan 8.210 nan 0.000 0.433 485 D N -1.553 118.655 120.400 -0.319 0.000 2.609 485 D HA 0.361 4.922 4.640 -0.132 0.000 0.239 485 D C -1.630 174.669 176.300 -0.002 0.000 1.229 485 D CA -0.318 53.536 54.000 -0.244 0.000 0.808 485 D CB 1.534 42.188 40.800 -0.243 0.000 1.448 485 D HN 0.089 nan 8.370 nan 0.000 0.433 486 Y N -1.719 118.608 120.300 0.045 0.000 2.571 486 Y HA 0.703 5.174 4.550 -0.133 0.000 0.341 486 Y C -2.778 173.255 175.900 0.222 0.000 1.076 486 Y CA -2.395 55.814 58.100 0.181 0.000 1.029 486 Y CB 0.379 38.916 38.460 0.127 0.000 1.308 486 Y HN 0.071 nan 8.280 nan 0.000 0.461 487 P HA -0.005 nan 4.420 nan 0.000 0.264 487 P C 0.581 178.050 177.300 0.283 0.000 1.183 487 P CA 0.361 63.634 63.100 0.288 0.000 0.763 487 P CB 1.008 32.844 31.700 0.227 0.000 0.807 488 E N 3.805 124.069 120.200 0.106 0.000 2.147 488 E HA -0.272 3.999 4.350 -0.132 0.000 0.199 488 E C 1.800 178.438 176.600 0.064 0.000 1.005 488 E CA 1.986 58.435 56.400 0.082 0.000 0.810 488 E CB -0.703 29.001 29.700 0.007 0.000 0.736 488 E HN 0.487 nan 8.360 nan 0.000 0.460 489 A N -0.442 122.337 122.820 -0.068 0.000 2.076 489 A HA -0.140 4.101 4.320 -0.132 0.000 0.220 489 A C 1.542 179.034 177.584 -0.154 0.000 1.160 489 A CA 1.241 53.172 52.037 -0.177 0.000 0.653 489 A CB -0.762 18.046 19.000 -0.321 0.000 0.801 489 A HN 0.374 nan 8.150 nan 0.000 0.455 490 F N -0.489 119.535 119.950 0.124 0.000 2.773 490 F HA 0.287 4.735 4.527 -0.132 0.000 0.304 490 F C 2.264 178.053 175.800 -0.019 0.000 1.129 490 F CA -0.128 57.887 58.000 0.025 0.000 1.378 490 F CB -0.507 38.416 39.000 -0.127 0.000 1.095 490 F HN 0.248 nan 8.300 nan 0.000 0.565 491 A N 0.004 122.973 122.820 0.248 0.000 1.877 491 A HA -0.175 4.066 4.320 -0.132 0.000 0.216 491 A C 2.349 179.981 177.584 0.080 0.000 1.186 491 A CA 2.359 54.539 52.037 0.239 0.000 0.620 491 A CB -1.148 17.947 19.000 0.157 0.000 0.822 491 A HN 0.311 nan 8.150 nan 0.000 0.443 492 T N -1.150 113.356 114.554 -0.080 0.000 2.652 492 T HA -0.234 4.037 4.350 -0.132 0.000 0.267 492 T C 1.560 176.139 174.700 -0.202 0.000 1.039 492 T CA 1.713 63.640 62.100 -0.289 0.000 1.153 492 T CB -0.427 68.048 68.868 -0.655 0.000 0.863 492 T HN 0.750 nan 8.240 nan 0.000 0.428 493 W N 1.578 122.950 121.300 0.120 0.000 2.518 493 W HA 0.104 4.684 4.660 -0.133 0.000 0.273 493 W C 2.475 178.986 176.519 -0.013 0.000 1.247 493 W CA -0.461 56.951 57.345 0.112 0.000 1.288 493 W CB -0.295 29.284 29.460 0.198 0.000 1.107 493 W HN 0.177 nan 8.180 nan 0.000 0.586 494 N N 0.331 119.084 118.700 0.089 0.000 2.166 494 N HA -0.189 4.472 4.740 -0.132 0.000 0.186 494 N C 1.490 177.013 175.510 0.021 0.000 1.019 494 N CA 1.388 54.389 53.050 -0.082 0.000 0.856 494 N CB -0.717 37.599 38.487 -0.286 0.000 0.993 494 N HN 0.140 nan 8.380 nan 0.000 0.426 495 F N 1.910 121.842 119.950 -0.029 0.000 2.113 495 F HA -0.135 4.312 4.527 -0.132 0.000 0.297 495 F C 2.269 178.036 175.800 -0.056 0.000 1.103 495 F CA 0.932 58.913 58.000 -0.032 0.000 1.248 495 F CB -0.428 38.557 39.000 -0.025 0.000 0.999 495 F HN -0.253 nan 8.300 nan 0.000 0.475 496 V N -0.544 119.434 119.914 0.107 0.000 2.287 496 V HA -0.326 3.714 4.120 -0.132 0.000 0.248 496 V C 2.657 178.688 176.094 -0.106 0.000 1.053 496 V CA 2.087 64.419 62.300 0.053 0.000 1.027 496 V CB -1.211 30.817 31.823 0.343 0.000 0.646 496 V HN 0.524 nan 8.190 nan 0.000 0.447 497 S N -0.375 115.271 115.700 -0.091 0.000 2.370 497 S HA -0.240 4.151 4.470 -0.132 0.000 0.226 497 S C 2.210 176.551 174.600 -0.432 0.000 1.033 497 S CA 2.248 60.296 58.200 -0.253 0.000 1.011 497 S CB -0.352 62.702 63.200 -0.244 0.000 0.852 497 S HN 0.618 nan 8.310 nan 0.000 0.457 498 S N 1.326 116.734 115.700 -0.488 0.000 2.368 498 S HA 0.057 4.448 4.470 -0.132 0.000 0.225 498 S C 1.784 175.633 174.600 -1.252 0.000 1.030 498 S CA 1.319 59.019 58.200 -0.834 0.000 0.999 498 S CB -0.469 62.323 63.200 -0.681 0.000 0.844 498 S HN 0.481 nan 8.310 nan 0.000 0.459 499 L N 0.935 121.664 121.223 -0.822 0.000 2.046 499 L HA -0.077 4.184 4.340 -0.132 0.000 0.208 499 L C 2.795 179.458 176.870 -0.345 0.000 1.077 499 L CA 1.213 55.728 54.840 -0.542 0.000 0.747 499 L CB -1.237 40.607 42.059 -0.359 0.000 0.896 499 L HN 0.416 nan 8.230 nan 0.000 0.432 500 G N -0.170 108.440 108.800 -0.317 0.000 2.469 500 G HA2 -0.308 3.573 3.960 -0.132 0.000 0.219 500 G HA3 -0.308 3.573 3.960 -0.132 0.000 0.219 500 G C 1.755 176.518 174.900 -0.228 0.000 1.150 500 G CA 0.938 45.901 45.100 -0.227 0.000 0.763 500 G HN 0.484 nan 8.290 nan 0.000 0.561 501 A N 0.318 122.906 122.820 -0.388 0.000 1.933 501 A HA 0.154 4.395 4.320 -0.132 0.000 0.218 501 A C 2.136 179.740 177.584 0.033 0.000 1.175 501 A CA 1.481 53.359 52.037 -0.265 0.000 0.628 501 A CB -0.447 18.322 19.000 -0.385 0.000 0.814 501 A HN 0.270 nan 8.150 nan 0.000 0.444 502 F N -0.624 119.321 119.950 -0.007 0.000 2.186 502 F HA -0.043 4.404 4.527 -0.133 0.000 0.299 502 F C 1.990 177.882 175.800 0.153 0.000 1.090 502 F CA 0.635 58.689 58.000 0.090 0.000 1.307 502 F CB -1.184 37.836 39.000 0.032 0.000 1.019 502 F HN 0.254 nan 8.300 nan 0.000 0.489 503 L N -0.068 121.301 121.223 0.243 0.000 2.056 503 L HA -0.145 4.116 4.340 -0.132 0.000 0.207 503 L C 2.331 179.329 176.870 0.213 0.000 1.078 503 L CA 1.723 56.674 54.840 0.185 0.000 0.749 503 L CB -1.167 40.954 42.059 0.104 0.000 0.901 503 L HN -0.010 nan 8.230 nan 0.000 0.433 504 S N -0.511 115.311 115.700 0.203 0.000 2.370 504 S HA -0.210 4.181 4.470 -0.132 0.000 0.226 504 S C 1.794 176.628 174.600 0.390 0.000 1.033 504 S CA 1.619 59.978 58.200 0.265 0.000 1.011 504 S CB -0.733 62.589 63.200 0.204 0.000 0.852 504 S HN 0.544 nan 8.310 nan 0.000 0.457 505 F N 2.763 122.854 119.950 0.236 0.000 2.102 505 F HA -0.050 4.396 4.527 -0.133 0.000 0.298 505 F C 2.406 178.395 175.800 0.316 0.000 1.105 505 F CA 0.748 58.918 58.000 0.284 0.000 1.239 505 F CB -1.103 38.044 39.000 0.245 0.000 0.991 505 F HN 0.168 nan 8.300 nan 0.000 0.474 506 A N -0.013 122.917 122.820 0.183 0.000 1.927 506 A HA -0.303 3.937 4.320 -0.132 0.000 0.220 506 A C 2.434 180.110 177.584 0.154 0.000 1.185 506 A CA 2.850 54.937 52.037 0.083 0.000 0.639 506 A CB -1.598 17.484 19.000 0.136 0.000 0.820 506 A HN 0.561 nan 8.150 nan 0.000 0.451 507 S N -1.760 114.091 115.700 0.252 0.000 2.402 507 S HA -0.139 4.252 4.470 -0.132 0.000 0.229 507 S C 1.808 176.649 174.600 0.401 0.000 1.021 507 S CA 1.439 59.854 58.200 0.357 0.000 0.974 507 S CB -0.594 62.846 63.200 0.400 0.000 0.800 507 S HN 0.506 nan 8.310 nan 0.000 0.484 508 F N 2.136 122.219 119.950 0.222 0.000 2.163 508 F HA 0.277 4.724 4.527 -0.134 0.000 0.297 508 F C 1.890 177.779 175.800 0.149 0.000 1.094 508 F CA 0.777 58.914 58.000 0.229 0.000 1.290 508 F CB -0.350 38.832 39.000 0.303 0.000 1.017 508 F HN 0.145 nan 8.300 nan 0.000 0.483 509 L N -1.127 120.084 121.223 -0.020 0.000 2.083 509 L HA -0.220 4.040 4.340 -0.132 0.000 0.209 509 L C 2.397 179.220 176.870 -0.079 0.000 1.083 509 L CA 1.409 56.159 54.840 -0.149 0.000 0.752 509 L CB -0.942 40.977 42.059 -0.235 0.000 0.899 509 L HN 0.192 nan 8.230 nan 0.000 0.433 510 F N 0.550 120.438 119.950 -0.104 0.000 2.102 510 F HA -0.304 4.144 4.527 -0.132 0.000 0.298 510 F C 2.392 178.092 175.800 -0.166 0.000 1.105 510 F CA 1.404 59.355 58.000 -0.082 0.000 1.239 510 F CB -0.451 38.552 39.000 0.005 0.000 0.991 510 F HN 0.016 nan 8.300 nan 0.000 0.474 511 F N 1.041 120.732 119.950 -0.432 0.000 2.091 511 F HA -0.269 4.178 4.527 -0.133 0.000 0.299 511 F C 1.887 177.376 175.800 -0.519 0.000 1.103 511 F CA 2.110 59.681 58.000 -0.716 0.000 1.228 511 F CB -0.838 37.538 39.000 -1.040 0.000 0.984 511 F HN 0.008 nan 8.300 nan 0.000 0.477 512 L N 0.091 120.907 121.223 -0.678 0.000 2.083 512 L HA -0.142 4.119 4.340 -0.132 0.000 0.209 512 L C 2.839 179.456 176.870 -0.422 0.000 1.083 512 L CA 1.221 55.685 54.840 -0.627 0.000 0.752 512 L CB -1.648 40.178 42.059 -0.387 0.000 0.899 512 L HN 0.401 nan 8.230 nan 0.000 0.433 513 G N -0.278 108.303 108.800 -0.365 0.000 2.418 513 G HA2 -0.198 3.682 3.960 -0.132 0.000 0.217 513 G HA3 -0.198 3.682 3.960 -0.132 0.000 0.217 513 G C 1.599 176.342 174.900 -0.261 0.000 1.158 513 G CA 0.893 45.841 45.100 -0.253 0.000 0.771 513 G HN 0.191 nan 8.290 nan 0.000 0.545 514 V N 1.488 121.088 119.914 -0.523 0.000 2.343 514 V HA -0.152 3.888 4.120 -0.132 0.000 0.247 514 V C 2.785 178.725 176.094 -0.258 0.000 1.051 514 V CA 1.177 63.219 62.300 -0.429 0.000 1.036 514 V CB -0.307 31.218 31.823 -0.495 0.000 0.654 514 V HN 0.291 nan 8.190 nan 0.000 0.451 515 I N -0.731 119.571 120.570 -0.448 0.000 2.252 515 I HA -0.193 3.898 4.170 -0.132 0.000 0.245 515 I C 2.332 178.377 176.117 -0.120 0.000 1.102 515 I CA 1.727 62.819 61.300 -0.345 0.000 1.385 515 I CB -1.113 36.554 38.000 -0.554 0.000 1.064 515 I HN 0.356 nan 8.210 nan 0.000 0.414 516 F N 1.463 121.292 119.950 -0.202 0.000 2.095 516 F HA -0.327 4.120 4.527 -0.134 0.000 0.298 516 F C 2.811 178.570 175.800 -0.068 0.000 1.104 516 F CA 1.778 59.709 58.000 -0.115 0.000 1.232 516 F CB -0.812 38.122 39.000 -0.110 0.000 0.987 516 F HN 0.061 nan 8.300 nan 0.000 0.475 517 Y N 1.008 121.268 120.300 -0.067 0.000 2.097 517 Y HA -0.280 4.190 4.550 -0.132 0.000 0.282 517 Y C 2.509 178.304 175.900 -0.174 0.000 1.152 517 Y CA 2.635 60.664 58.100 -0.118 0.000 1.136 517 Y CB -1.004 37.426 38.460 -0.049 0.000 0.975 517 Y HN 0.077 nan 8.280 nan 0.000 0.498 518 T N 1.407 115.972 114.554 0.018 0.000 2.684 518 T HA -0.220 4.050 4.350 -0.132 0.000 0.267 518 T C 1.936 176.526 174.700 -0.184 0.000 1.036 518 T CA 1.985 64.063 62.100 -0.036 0.000 1.148 518 T CB -0.548 68.350 68.868 0.051 0.000 0.863 518 T HN 0.344 nan 8.240 nan 0.000 0.436 519 L N 1.025 122.125 121.223 -0.205 0.000 2.217 519 L HA -0.028 4.233 4.340 -0.132 0.000 0.211 519 L C 2.901 179.594 176.870 -0.296 0.000 1.107 519 L CA 1.377 56.098 54.840 -0.199 0.000 0.783 519 L CB -0.792 41.189 42.059 -0.129 0.000 0.919 519 L HN 0.478 nan 8.230 nan 0.000 0.442 520 T N -2.482 111.792 114.554 -0.466 0.000 3.031 520 T HA -0.017 4.254 4.350 -0.132 0.000 0.254 520 T C 1.443 175.901 174.700 -0.403 0.000 1.060 520 T CA 0.135 61.948 62.100 -0.479 0.000 1.135 520 T CB 0.107 68.545 68.868 -0.716 0.000 0.896 520 T HN 0.462 nan 8.240 nan 0.000 0.472 521 R N 0.538 120.725 120.500 -0.522 0.000 2.508 521 R HA 0.402 4.662 4.340 -0.132 0.000 0.420 521 R C 0.720 176.676 176.300 -0.572 0.000 0.866 521 R CA -0.603 55.194 56.100 -0.506 0.000 1.103 521 R CB -0.258 29.751 30.300 -0.486 0.000 1.657 521 R HN 0.235 nan 8.270 nan 0.000 0.562 522 G N 1.312 109.835 108.800 -0.461 0.000 2.554 522 G HA2 0.365 4.246 3.960 -0.132 0.000 0.238 522 G HA3 0.365 4.246 3.960 -0.132 0.000 0.238 522 G C 0.231 175.054 174.900 -0.128 0.000 1.259 522 G CA 0.018 44.992 45.100 -0.209 0.000 0.843 522 G HN 0.424 nan 8.290 nan 0.000 0.582 523 A N 1.568 124.356 122.820 -0.054 0.000 2.565 523 A HA 0.294 4.535 4.320 -0.132 0.000 0.237 523 A C 1.104 178.629 177.584 -0.099 0.000 1.053 523 A CA -0.067 51.932 52.037 -0.063 0.000 0.755 523 A CB 0.027 18.998 19.000 -0.048 0.000 0.980 523 A HN 0.857 nan 8.150 nan 0.000 0.506 524 R N 2.423 122.873 120.500 -0.084 0.000 2.522 524 R HA 0.271 4.532 4.340 -0.132 0.000 0.284 524 R C -0.741 175.501 176.300 -0.098 0.000 1.032 524 R CA -0.149 55.901 56.100 -0.083 0.000 1.049 524 R CB 0.139 30.403 30.300 -0.060 0.000 0.956 524 R HN 0.469 nan 8.270 nan 0.000 0.422 525 V N 4.992 124.839 119.914 -0.112 0.000 2.461 525 V HA 0.083 4.124 4.120 -0.132 0.000 0.275 525 V C 1.244 177.314 176.094 -0.041 0.000 1.047 525 V CA 0.249 62.474 62.300 -0.124 0.000 0.955 525 V CB 1.318 33.037 31.823 -0.174 0.000 0.988 525 V HN 1.085 nan 8.190 nan 0.000 0.471 526 T N 0.953 115.497 114.554 -0.017 0.000 2.985 526 T HA 0.432 4.703 4.350 -0.132 0.000 0.254 526 T C 0.527 175.252 174.700 0.041 0.000 1.021 526 T CA 0.479 62.584 62.100 0.008 0.000 0.957 526 T CB 0.483 69.350 68.868 -0.001 0.000 1.047 526 T HN 0.741 nan 8.240 nan 0.000 0.511 527 A N 1.381 124.248 122.820 0.077 0.000 2.312 527 A HA 0.688 4.928 4.320 -0.132 0.000 0.328 527 A C 0.794 178.476 177.584 0.164 0.000 1.158 527 A CA -0.757 51.341 52.037 0.103 0.000 0.821 527 A CB 0.757 19.814 19.000 0.094 0.000 1.170 527 A HN 0.116 nan 8.150 nan 0.000 0.490 528 N N 0.794 119.573 118.700 0.132 0.000 2.120 528 N HA -0.092 4.568 4.740 -0.132 0.000 0.188 528 N C 0.159 175.812 175.510 0.239 0.000 1.024 528 N CA 1.406 54.554 53.050 0.164 0.000 0.852 528 N CB -0.054 38.506 38.487 0.122 0.000 1.003 528 N HN 0.674 nan 8.380 nan 0.000 0.424 529 N N 0.198 118.987 118.700 0.147 0.000 2.569 529 N HA 0.029 4.690 4.740 -0.132 0.000 0.254 529 N C -0.623 174.798 175.510 -0.149 0.000 1.004 529 N CA -0.445 52.612 53.050 0.012 0.000 0.904 529 N CB 0.229 38.729 38.487 0.022 0.000 1.165 529 N HN 0.195 nan 8.380 nan 0.000 0.513 530 Y N 1.033 121.213 120.300 -0.199 0.000 2.461 530 Y HA 0.399 4.869 4.550 -0.133 0.000 0.277 530 Y C 0.726 176.358 175.900 -0.447 0.000 1.182 530 Y CA -0.794 57.107 58.100 -0.332 0.000 1.276 530 Y CB -0.262 37.956 38.460 -0.403 0.000 1.087 530 Y HN 0.333 nan 8.280 nan 0.000 0.519 531 W N 2.079 123.137 121.300 -0.403 0.000 3.186 531 W HA 0.229 4.809 4.660 -0.133 0.000 0.281 531 W C 0.071 176.446 176.519 -0.240 0.000 1.188 531 W CA 0.248 57.393 57.345 -0.333 0.000 1.927 531 W CB -0.141 28.909 29.460 -0.684 0.000 1.328 531 W HN 0.078 nan 8.180 nan 0.000 0.514 532 N N -1.355 117.315 118.700 -0.049 0.000 3.046 532 N HA 0.009 4.669 4.740 -0.132 0.000 0.243 532 N C 0.234 175.679 175.510 -0.108 0.000 1.452 532 N CA -0.302 52.723 53.050 -0.042 0.000 0.882 532 N CB 0.509 39.012 38.487 0.028 0.000 1.425 532 N HN 0.123 nan 8.380 nan 0.000 0.517 533 E N -0.085 120.054 120.200 -0.103 0.000 2.267 533 E HA -0.257 4.013 4.350 -0.132 0.000 0.197 533 E C 0.156 176.589 176.600 -0.279 0.000 0.998 533 E CA 1.751 58.031 56.400 -0.201 0.000 0.830 533 E CB -0.742 28.801 29.700 -0.261 0.000 0.751 533 E HN 0.797 nan 8.360 nan 0.000 0.491 534 H N 0.979 119.985 119.070 -0.107 0.000 2.547 534 H HA 0.373 4.849 4.556 -0.133 0.000 0.266 534 H C 0.495 175.737 175.328 -0.143 0.000 0.988 534 H CA 0.601 56.585 56.048 -0.107 0.000 1.147 534 H CB 0.237 29.934 29.762 -0.108 0.000 1.365 534 H HN 0.269 nan 8.280 nan 0.000 0.589 535 A N 1.786 124.518 122.820 -0.146 0.000 2.805 535 A HA 0.096 4.337 4.320 -0.132 0.000 0.301 535 A C 0.141 177.727 177.584 0.004 0.000 1.557 535 A CA -0.373 51.533 52.037 -0.219 0.000 1.254 535 A CB -0.448 18.043 19.000 -0.850 0.000 1.114 535 A HN 0.462 nan 8.150 nan 0.000 0.553 536 D N 0.870 121.345 120.400 0.126 0.000 2.402 536 D HA 0.049 4.609 4.640 -0.132 0.000 0.216 536 D C 0.686 177.115 176.300 0.215 0.000 1.128 536 D CA 0.453 54.532 54.000 0.131 0.000 0.833 536 D CB -0.347 40.475 40.800 0.036 0.000 0.971 536 D HN 0.389 nan 8.370 nan 0.000 0.503 537 T N -2.502 112.275 114.554 0.372 0.000 2.847 537 T HA 0.355 4.625 4.350 -0.132 0.000 0.279 537 T C 1.454 176.391 174.700 0.394 0.000 0.984 537 T CA -0.837 61.471 62.100 0.346 0.000 0.988 537 T CB 1.150 70.225 68.868 0.345 0.000 1.040 537 T HN -0.022 nan 8.240 nan 0.000 0.528 538 L N 0.819 122.258 121.223 0.361 0.000 2.275 538 L HA -0.038 4.223 4.340 -0.132 0.000 0.215 538 L C 3.020 180.075 176.870 0.308 0.000 1.119 538 L CA 1.069 56.119 54.840 0.350 0.000 0.790 538 L CB -0.580 41.700 42.059 0.369 0.000 0.919 538 L HN 0.842 nan 8.230 nan 0.000 0.443 539 E N 0.208 120.534 120.200 0.210 0.000 2.153 539 E HA -0.258 4.013 4.350 -0.132 0.000 0.194 539 E C 1.518 178.022 176.600 -0.161 0.000 0.988 539 E CA 1.287 57.662 56.400 -0.041 0.000 0.811 539 E CB -0.592 29.049 29.700 -0.098 0.000 0.746 539 E HN 0.614 nan 8.360 nan 0.000 0.466 540 W N 1.171 122.601 121.300 0.217 0.000 3.077 540 W HA 0.138 4.720 4.660 -0.131 0.000 0.245 540 W C 1.668 178.234 176.519 0.078 0.000 1.316 540 W CA 0.426 57.831 57.345 0.099 0.000 1.537 540 W CB 0.324 29.825 29.460 0.068 0.000 1.131 540 W HN -0.023 nan 8.180 nan 0.000 0.695 541 T N 0.428 115.127 114.554 0.241 0.000 3.037 541 T HA 0.198 4.468 4.350 -0.132 0.000 0.251 541 T C 0.779 175.535 174.700 0.093 0.000 1.079 541 T CA 0.276 62.479 62.100 0.172 0.000 1.067 541 T CB 0.085 69.073 68.868 0.200 0.000 0.948 541 T HN -0.197 nan 8.240 nan 0.000 0.496 542 L N 1.381 122.634 121.223 0.050 0.000 2.376 542 L HA 0.486 4.747 4.340 -0.132 0.000 0.267 542 L C 1.087 177.964 176.870 0.011 0.000 1.035 542 L CA -1.187 53.633 54.840 -0.034 0.000 0.800 542 L CB 0.704 42.674 42.059 -0.149 0.000 1.290 542 L HN 0.068 nan 8.230 nan 0.000 0.462 543 T N -2.203 112.341 114.554 -0.016 0.000 2.726 543 T HA 0.227 4.497 4.350 -0.132 0.000 0.294 543 T C 0.078 174.804 174.700 0.043 0.000 1.013 543 T CA -0.699 61.411 62.100 0.016 0.000 0.996 543 T CB 0.742 69.603 68.868 -0.012 0.000 1.016 543 T HN 0.478 nan 8.240 nan 0.000 0.529 544 S N 3.018 118.761 115.700 0.072 0.000 2.667 544 S HA 0.435 4.826 4.470 -0.132 0.000 0.304 544 S C -2.348 172.282 174.600 0.051 0.000 1.135 544 S CA -0.986 57.276 58.200 0.104 0.000 1.125 544 S CB 0.916 64.235 63.200 0.198 0.000 0.996 544 S HN 0.686 nan 8.310 nan 0.000 0.474 545 P HA 0.351 nan 4.420 nan 0.000 0.274 545 P C -2.888 174.404 177.300 -0.014 0.000 1.246 545 P CA -1.663 61.458 63.100 0.036 0.000 0.795 545 P CB -0.558 31.160 31.700 0.030 0.000 1.006 546 P HA 0.141 nan 4.420 nan 0.000 0.270 546 P C -2.066 175.137 177.300 -0.163 0.000 1.223 546 P CA -0.822 62.202 63.100 -0.127 0.000 0.785 546 P CB -1.211 30.371 31.700 -0.197 0.000 0.923 547 P HA 0.060 nan 4.420 nan 0.000 0.272 547 P C 0.956 178.088 177.300 -0.279 0.000 1.230 547 P CA 0.148 63.129 63.100 -0.197 0.000 0.788 547 P CB 0.242 31.846 31.700 -0.159 0.000 0.949 548 E N 1.290 121.273 120.200 -0.361 0.000 2.147 548 E HA -0.204 4.066 4.350 -0.132 0.000 0.199 548 E C 0.626 176.892 176.600 -0.557 0.000 1.005 548 E CA 1.562 57.647 56.400 -0.526 0.000 0.810 548 E CB -1.040 28.249 29.700 -0.684 0.000 0.736 548 E HN 0.634 nan 8.360 nan 0.000 0.460 549 H N 0.256 119.242 119.070 -0.139 0.000 2.638 549 H HA 0.426 4.902 4.556 -0.133 0.000 0.303 549 H C 0.069 175.310 175.328 -0.145 0.000 1.034 549 H CA 0.065 56.044 56.048 -0.115 0.000 1.225 549 H CB 0.669 30.384 29.762 -0.079 0.000 1.394 549 H HN 0.389 nan 8.280 nan 0.000 0.477 550 T N -0.167 114.332 114.554 -0.091 0.000 2.902 550 T HA 0.443 4.714 4.350 -0.132 0.000 0.280 550 T C 0.245 174.834 174.700 -0.184 0.000 0.992 550 T CA -0.511 61.391 62.100 -0.331 0.000 1.015 550 T CB 0.981 69.470 68.868 -0.631 0.000 1.044 550 T HN 0.367 nan 8.240 nan 0.000 0.520 551 F N 0.000 119.950 119.950 -0.001 0.000 2.286 551 F HA 0.000 4.447 4.527 -0.133 0.000 0.279 551 F CA 0.000 57.997 58.000 -0.006 0.000 1.383 551 F CB 0.000 38.990 39.000 -0.017 0.000 1.145 551 F HN 0.000 nan 8.300 nan 0.000 0.574