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 3fgb_1_B DATA FIRST_RESID 34 DATA SEQUENCE QDLTXIVGTY TSGDSKGLYS FRFNEENGTA TALSEAEVEN PSYLVPSADG DATA SEQUENCE KFIYAVSEFS NEQAAANAFA FNKEEGTFRL LNTQKTGGED PCYIITNGSN DATA SEQUENCE VVTANYSGGS ISVFPIDKDG SLLPASEVVK FKGSGADKER QEKPHLHCVR DATA SEQUENCE ITPDGKYLFA DDLGTDQIHK FIVNPNAKAD NEDVFLKEGS PASYKVEAGS DATA SEQUENCE GPRHLTFAPN GSYAYLINEL SGTVIAFEYN DGELKEIQTI AADTVGAKGS DATA SEQUENCE GDIHISPDGK FLYASNRLKA DGLAIFSIHP ENGXLTKVGY QLTGIHPRNF DATA SEQUENCE IITPNGKYLL VACRDSNVIQ VYERDTDTGL LTDIRKDIKV DKPVCIKFV 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 34 Q HA 0.000 nan 4.340 nan 0.000 0.214 34 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 34 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 34 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 35 D N 1.195 121.594 120.400 -0.002 0.000 2.382 35 D HA 0.530 5.170 4.640 -0.000 0.000 0.245 35 D C 0.146 176.465 176.300 0.032 0.000 1.120 35 D CA 0.030 54.035 54.000 0.010 0.000 0.890 35 D CB 0.626 41.437 40.800 0.017 0.000 1.201 35 D HN 0.528 nan 8.370 nan 0.000 0.433 36 L N 0.958 122.206 121.223 0.043 0.000 2.439 36 L HA 0.394 4.734 4.340 -0.000 0.000 0.259 36 L C 1.090 178.065 176.870 0.176 0.000 1.129 36 L CA -0.473 54.389 54.840 0.037 0.000 0.803 36 L CB 0.802 42.746 42.059 -0.190 0.000 1.161 36 L HN 0.235 nan 8.230 nan 0.000 0.462 40 V N 3.757 123.717 119.914 0.077 0.000 2.540 40 V HA 0.855 4.974 4.120 -0.000 0.000 0.302 40 V C 0.509 176.595 176.094 -0.013 0.000 1.035 40 V CA -0.464 61.850 62.300 0.024 0.000 0.873 40 V CB 2.049 33.967 31.823 0.158 0.000 0.992 40 V HN 0.932 nan 8.190 nan 0.000 0.428 41 G N 2.314 111.047 108.800 -0.111 0.000 2.410 41 G HA2 0.776 4.736 3.960 -0.000 0.000 0.330 41 G HA3 0.776 4.736 3.960 -0.000 0.000 0.330 41 G C -0.296 174.532 174.900 -0.120 0.000 1.142 41 G CA -0.053 44.957 45.100 -0.150 0.000 0.902 41 G HN 0.873 nan 8.290 nan 0.000 0.491 42 T N -2.108 112.364 114.554 -0.136 0.000 2.812 42 T HA 0.583 4.933 4.350 -0.000 0.000 0.294 42 T C -1.448 173.125 174.700 -0.213 0.000 1.159 42 T CA -0.812 61.220 62.100 -0.114 0.000 1.008 42 T CB 1.458 70.360 68.868 0.056 0.000 1.289 42 T HN 0.305 nan 8.240 nan 0.000 0.514 43 Y N 1.173 121.462 120.300 -0.017 0.000 2.320 43 Y HA 0.461 5.011 4.550 0.000 0.000 0.334 43 Y C 1.732 177.615 175.900 -0.028 0.000 1.055 43 Y CA -0.491 57.579 58.100 -0.049 0.000 1.143 43 Y CB 1.720 40.145 38.460 -0.058 0.000 1.193 43 Y HN 0.924 nan 8.280 nan 0.000 0.477 44 T N -3.031 111.598 114.554 0.125 0.000 3.244 44 T HA 0.023 4.373 4.350 -0.000 0.000 0.254 44 T C 1.345 176.094 174.700 0.082 0.000 1.024 44 T CA 0.340 62.490 62.100 0.084 0.000 0.920 44 T CB -0.400 68.499 68.868 0.053 0.000 1.042 44 T HN 0.577 nan 8.240 nan 0.000 0.572 45 S N 0.136 115.883 115.700 0.079 0.000 2.453 45 S HA 0.244 4.714 4.470 -0.000 0.000 0.231 45 S C 1.408 176.036 174.600 0.046 0.000 1.005 45 S CA 0.268 58.499 58.200 0.052 0.000 0.949 45 S CB -0.452 62.758 63.200 0.016 0.000 0.774 45 S HN 0.677 nan 8.310 nan 0.000 0.510 46 G N 0.971 109.802 108.800 0.052 0.000 3.134 46 G HA2 0.351 4.311 3.960 -0.000 0.000 0.158 46 G HA3 0.351 4.311 3.960 -0.000 0.000 0.158 46 G C -0.084 174.848 174.900 0.053 0.000 1.334 46 G CA 0.034 45.161 45.100 0.044 0.000 1.001 46 G HN 0.197 nan 8.290 nan 0.000 0.600 47 D N 0.223 120.653 120.400 0.050 0.000 2.312 47 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 47 D C 1.278 177.633 176.300 0.092 0.000 0.964 47 D CA 0.427 54.461 54.000 0.057 0.000 0.877 47 D CB 0.002 40.825 40.800 0.039 0.000 0.924 47 D HN 0.074 nan 8.370 nan 0.000 0.515 48 S N 0.065 115.832 115.700 0.112 0.000 2.564 48 S HA 0.120 4.590 4.470 -0.000 0.000 0.278 48 S C 1.253 175.940 174.600 0.145 0.000 1.333 48 S CA -0.102 58.219 58.200 0.202 0.000 1.048 48 S CB 1.316 64.644 63.200 0.214 0.000 0.900 48 S HN 0.061 nan 8.310 nan 0.000 0.505 49 K N 1.292 121.771 120.400 0.132 0.000 2.358 49 K HA 0.301 4.621 4.320 -0.000 0.000 0.200 49 K C 1.096 177.605 176.600 -0.151 0.000 1.030 49 K CA 0.206 56.482 56.287 -0.017 0.000 1.097 49 K CB 0.728 33.210 32.500 -0.031 0.000 0.862 49 K HN 0.824 nan 8.250 nan 0.000 0.534 50 G N 1.010 109.671 108.800 -0.231 0.000 1.812 50 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.053 50 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.053 50 G C -1.381 173.225 174.900 -0.491 0.000 0.844 50 G CA -0.897 44.014 45.100 -0.316 0.000 1.151 50 G HN -0.006 nan 8.290 nan 0.000 0.362 51 L N 0.891 121.668 121.223 -0.744 0.000 2.325 51 L HA 0.758 5.098 4.340 -0.000 0.000 0.279 51 L C -0.974 175.326 176.870 -0.950 0.000 1.054 51 L CA -0.859 53.505 54.840 -0.793 0.000 0.804 51 L CB 1.442 42.822 42.059 -1.131 0.000 1.200 51 L HN 0.476 nan 8.230 nan 0.000 0.436 52 Y N 0.171 120.378 120.300 -0.154 0.000 2.406 52 Y HA 0.388 4.938 4.550 0.000 0.000 0.340 52 Y C 0.074 176.064 175.900 0.150 0.000 0.975 52 Y CA -0.870 57.219 58.100 -0.019 0.000 1.056 52 Y CB 2.353 40.853 38.460 0.067 0.000 1.210 52 Y HN 0.532 nan 8.280 nan 0.000 0.448 53 S N 2.331 118.171 115.700 0.234 0.000 2.537 53 S HA 0.907 5.377 4.470 -0.000 0.000 0.301 53 S C -1.195 173.344 174.600 -0.102 0.000 1.092 53 S CA -0.556 57.779 58.200 0.224 0.000 1.048 53 S CB 1.346 64.691 63.200 0.241 0.000 1.053 53 S HN 0.373 nan 8.310 nan 0.000 0.501 54 F N -0.250 119.806 119.950 0.177 0.000 2.662 54 F HA 0.613 5.140 4.527 -0.000 0.000 0.312 54 F C 0.169 176.075 175.800 0.175 0.000 1.113 54 F CA -1.109 56.988 58.000 0.161 0.000 0.951 54 F CB 1.495 40.597 39.000 0.171 0.000 1.344 54 F HN 0.350 nan 8.300 nan 0.000 0.462 55 R N 1.049 121.768 120.500 0.365 0.000 2.474 55 R HA 0.524 4.864 4.340 -0.000 0.000 0.295 55 R C -1.736 174.753 176.300 0.314 0.000 0.980 55 R CA -0.670 55.584 56.100 0.256 0.000 0.934 55 R CB 1.497 31.877 30.300 0.133 0.000 1.101 55 R HN 0.647 nan 8.270 nan 0.000 0.469 56 F N 2.336 122.357 119.950 0.118 0.000 2.539 56 F HA 0.267 4.794 4.527 -0.000 0.000 0.328 56 F C -0.139 175.653 175.800 -0.013 0.000 1.148 56 F CA -0.830 57.208 58.000 0.063 0.000 0.940 56 F CB 1.382 40.471 39.000 0.147 0.000 1.194 56 F HN 0.309 nan 8.300 nan 0.000 0.438 57 N N 4.944 123.339 118.700 -0.508 0.000 2.402 57 N HA 0.017 4.757 4.740 -0.000 0.000 0.252 57 N C 0.595 175.900 175.510 -0.342 0.000 1.118 57 N CA 0.081 52.936 53.050 -0.324 0.000 0.945 57 N CB 0.842 39.154 38.487 -0.292 0.000 1.147 57 N HN 0.885 nan 8.380 nan 0.000 0.495 58 E N 2.065 122.259 120.200 -0.010 0.000 2.494 58 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 58 E C -0.100 176.684 176.600 0.307 0.000 1.074 58 E CA 0.463 57.001 56.400 0.230 0.000 0.867 58 E CB 0.247 30.052 29.700 0.175 0.000 0.924 58 E HN 0.415 nan 8.360 nan 0.000 0.502 59 E N 1.222 121.512 120.200 0.150 0.000 2.372 59 E HA 0.003 4.353 4.350 -0.000 0.000 0.201 59 E C 1.054 177.772 176.600 0.196 0.000 0.938 59 E CA 0.760 57.254 56.400 0.156 0.000 0.944 59 E CB 0.214 29.943 29.700 0.048 0.000 0.937 59 E HN 0.692 nan 8.360 nan 0.000 0.495 60 N N -1.457 117.277 118.700 0.057 0.000 2.143 60 N HA 0.112 4.852 4.740 -0.000 0.000 0.222 60 N C 0.984 176.328 175.510 -0.276 0.000 1.264 60 N CA 0.464 53.509 53.050 -0.010 0.000 0.897 60 N CB 1.258 39.709 38.487 -0.061 0.000 1.092 60 N HN 0.023 nan 8.380 nan 0.000 0.516 61 G N 0.790 109.184 108.800 -0.677 0.000 2.179 61 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 61 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 61 G C -0.149 174.212 174.900 -0.898 0.000 1.010 61 G CA 0.771 45.210 45.100 -1.102 0.000 0.736 61 G HN 0.422 nan 8.290 nan 0.000 0.513 62 T N 0.649 114.734 114.554 -0.781 0.000 2.845 62 T HA 0.689 5.039 4.350 -0.000 0.000 0.288 62 T C 0.442 174.787 174.700 -0.592 0.000 0.980 62 T CA 0.461 62.251 62.100 -0.516 0.000 1.071 62 T CB 1.855 70.548 68.868 -0.291 0.000 0.941 62 T HN 1.315 nan 8.240 nan 0.000 0.487 63 A N 2.629 125.299 122.820 -0.251 0.000 2.337 63 A HA 0.738 5.058 4.320 -0.000 0.000 0.329 63 A C 0.007 177.663 177.584 0.119 0.000 1.146 63 A CA -0.744 51.305 52.037 0.020 0.000 0.800 63 A CB 0.959 20.060 19.000 0.169 0.000 1.220 63 A HN 0.710 nan 8.150 nan 0.000 0.472 64 T N 1.984 116.672 114.554 0.224 0.000 2.847 64 T HA 0.587 4.937 4.350 -0.000 0.000 0.291 64 T C 0.227 175.083 174.700 0.260 0.000 0.998 64 T CA 0.074 62.287 62.100 0.188 0.000 0.967 64 T CB 1.290 70.210 68.868 0.086 0.000 0.954 64 T HN 1.150 nan 8.240 nan 0.000 0.441 65 A N 3.557 126.485 122.820 0.180 0.000 2.498 65 A HA 0.615 4.935 4.320 -0.000 0.000 0.239 65 A C 0.419 177.924 177.584 -0.131 0.000 1.068 65 A CA -0.066 51.885 52.037 -0.142 0.000 0.766 65 A CB 0.083 19.002 19.000 -0.135 0.000 1.003 65 A HN 0.932 nan 8.150 nan 0.000 0.497 66 L N 0.943 122.032 121.223 -0.223 0.000 3.569 66 L HA 0.357 4.697 4.340 -0.000 0.000 0.178 66 L C 1.212 178.040 176.870 -0.071 0.000 1.286 66 L CA 0.497 55.279 54.840 -0.097 0.000 0.952 66 L CB -0.242 41.787 42.059 -0.051 0.000 1.540 66 L HN 0.718 nan 8.230 nan 0.000 0.661 67 S N -1.425 114.263 115.700 -0.021 0.000 2.874 67 S HA 0.559 5.029 4.470 -0.000 0.000 0.318 67 S C -1.783 172.905 174.600 0.146 0.000 1.109 67 S CA -0.572 57.669 58.200 0.068 0.000 0.878 67 S CB 1.572 64.832 63.200 0.100 0.000 1.307 67 S HN 0.394 nan 8.310 nan 0.000 0.592 68 E N -0.450 119.820 120.200 0.116 0.000 2.430 68 E HA 0.705 5.055 4.350 -0.000 0.000 0.279 68 E C -1.636 174.777 176.600 -0.312 0.000 1.003 68 E CA -1.389 54.902 56.400 -0.181 0.000 0.801 68 E CB 1.487 31.042 29.700 -0.242 0.000 1.313 68 E HN 0.688 nan 8.360 nan 0.000 0.459 69 A N 1.427 123.805 122.820 -0.737 0.000 2.375 69 A HA 0.389 4.709 4.320 -0.000 0.000 0.295 69 A C -0.954 176.359 177.584 -0.452 0.000 1.066 69 A CA -0.669 51.003 52.037 -0.608 0.000 0.722 69 A CB 1.423 19.727 19.000 -1.161 0.000 1.206 69 A HN 0.688 nan 8.150 nan 0.000 0.435 70 E N 2.062 122.143 120.200 -0.200 0.000 2.166 70 E HA 0.427 4.777 4.350 -0.000 0.000 0.279 70 E C -1.002 175.582 176.600 -0.026 0.000 1.095 70 E CA -0.070 56.258 56.400 -0.120 0.000 0.888 70 E CB 0.719 30.390 29.700 -0.048 0.000 1.041 70 E HN 0.669 nan 8.360 nan 0.000 0.414 71 V N 3.812 123.701 119.914 -0.040 0.000 2.969 71 V HA 0.268 4.388 4.120 -0.000 0.000 0.304 71 V C -1.275 174.841 176.094 0.035 0.000 1.192 71 V CA -0.731 61.606 62.300 0.062 0.000 0.962 71 V CB 2.223 34.154 31.823 0.179 0.000 1.045 71 V HN 0.779 nan 8.190 nan 0.000 0.428 72 E N 4.023 124.290 120.200 0.112 0.000 2.313 72 E HA 0.320 4.670 4.350 -0.000 0.000 0.276 72 E C -0.124 176.468 176.600 -0.014 0.000 1.031 72 E CA -0.261 56.209 56.400 0.116 0.000 0.857 72 E CB 0.328 30.243 29.700 0.359 0.000 1.040 72 E HN 0.722 nan 8.360 nan 0.000 0.408 73 N N 2.442 121.077 118.700 -0.108 0.000 2.689 73 N HA -0.139 4.601 4.740 -0.000 0.000 0.263 73 N C -2.336 173.076 175.510 -0.164 0.000 0.987 73 N CA 0.462 53.411 53.050 -0.169 0.000 0.782 73 N CB -0.750 37.539 38.487 -0.330 0.000 0.903 73 N HN 0.387 nan 8.380 nan 0.000 0.547 74 P HA 0.083 nan 4.420 nan 0.000 0.225 74 P C 0.773 177.964 177.300 -0.183 0.000 1.813 74 P CA -0.177 62.853 63.100 -0.117 0.000 1.013 74 P CB -0.212 31.415 31.700 -0.122 0.000 1.961 75 S N -0.038 115.527 115.700 -0.224 0.000 2.469 75 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 75 S C 0.389 174.962 174.600 -0.044 0.000 0.998 75 S CA 0.635 58.664 58.200 -0.284 0.000 0.957 75 S CB -0.722 62.273 63.200 -0.342 0.000 0.764 75 S HN 0.350 nan 8.310 nan 0.000 0.514 76 Y N 0.055 120.280 120.300 -0.126 0.000 2.544 76 Y HA 0.591 5.141 4.550 -0.000 0.000 0.342 76 Y C -1.295 174.540 175.900 -0.108 0.000 1.062 76 Y CA -1.591 56.434 58.100 -0.124 0.000 1.023 76 Y CB 1.700 40.084 38.460 -0.128 0.000 1.308 76 Y HN 0.267 nan 8.280 nan 0.000 0.457 77 L N 2.605 123.664 121.223 -0.274 0.000 2.540 77 L HA 0.965 5.305 4.340 -0.000 0.000 0.256 77 L C -2.107 174.697 176.870 -0.110 0.000 1.001 77 L CA -1.144 53.630 54.840 -0.111 0.000 0.843 77 L CB 1.884 43.850 42.059 -0.154 0.000 1.436 77 L HN 0.422 nan 8.230 nan 0.000 0.410 78 V N 1.774 121.703 119.914 0.026 0.000 2.711 78 V HA 0.759 4.879 4.120 -0.000 0.000 0.304 78 V C -2.653 173.500 176.094 0.097 0.000 1.097 78 V CA -1.247 61.091 62.300 0.063 0.000 0.906 78 V CB 2.750 34.663 31.823 0.150 0.000 1.015 78 V HN 0.911 nan 8.190 nan 0.000 0.427 79 P HA 0.354 nan 4.420 nan 0.000 0.284 79 P C -0.300 177.086 177.300 0.143 0.000 1.258 79 P CA -0.136 62.982 63.100 0.029 0.000 0.824 79 P CB 1.561 33.234 31.700 -0.045 0.000 1.038 80 S N 0.711 116.528 115.700 0.195 0.000 2.608 80 S HA 0.279 4.749 4.470 -0.000 0.000 0.261 80 S C 1.644 176.353 174.600 0.183 0.000 1.314 80 S CA -0.006 58.354 58.200 0.266 0.000 0.992 80 S CB -0.008 63.426 63.200 0.389 0.000 0.935 80 S HN 0.554 nan 8.310 nan 0.000 0.564 81 A N 0.373 123.294 122.820 0.169 0.000 2.024 81 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 81 A C 1.754 179.410 177.584 0.120 0.000 1.164 81 A CA 1.714 53.829 52.037 0.129 0.000 0.643 81 A CB -0.905 18.163 19.000 0.114 0.000 0.806 81 A HN 0.854 nan 8.150 nan 0.000 0.451 82 D N -1.465 119.021 120.400 0.143 0.000 2.149 82 D HA 0.122 4.762 4.640 -0.000 0.000 0.201 82 D C 1.667 178.019 176.300 0.088 0.000 0.972 82 D CA 1.622 55.692 54.000 0.117 0.000 0.835 82 D CB -0.134 40.757 40.800 0.152 0.000 0.966 82 D HN 0.594 nan 8.370 nan 0.000 0.476 83 G N 0.403 109.264 108.800 0.102 0.000 2.176 83 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 83 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 83 G C 1.214 176.168 174.900 0.090 0.000 0.979 83 G CA 0.468 45.631 45.100 0.106 0.000 0.641 83 G HN 0.232 nan 8.290 nan 0.000 0.530 84 K N -0.829 119.543 120.400 -0.047 0.000 2.361 84 K HA 0.345 4.665 4.320 -0.000 0.000 0.196 84 K C 0.206 176.338 176.600 -0.780 0.000 1.039 84 K CA 0.615 56.660 56.287 -0.403 0.000 1.001 84 K CB 0.248 32.423 32.500 -0.541 0.000 0.795 84 K HN 0.450 nan 8.250 nan 0.000 0.495 85 F N -0.173 119.804 119.950 0.044 0.000 2.613 85 F HA 0.482 5.009 4.527 0.000 0.000 0.310 85 F C -0.255 175.403 175.800 -0.237 0.000 1.085 85 F CA -1.016 56.923 58.000 -0.102 0.000 0.945 85 F CB 1.586 40.470 39.000 -0.193 0.000 1.298 85 F HN -0.330 nan 8.300 nan 0.000 0.455 86 I N 2.132 122.614 120.570 -0.146 0.000 2.533 86 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 86 I C -1.575 174.365 176.117 -0.295 0.000 1.056 86 I CA -0.837 60.353 61.300 -0.183 0.000 1.057 86 I CB 2.118 40.071 38.000 -0.078 0.000 1.240 86 I HN 0.454 nan 8.210 nan 0.000 0.423 87 Y N 4.694 125.091 120.300 0.161 0.000 2.334 87 Y HA 0.715 5.265 4.550 0.000 0.000 0.336 87 Y C 0.261 176.219 175.900 0.097 0.000 0.960 87 Y CA -0.756 57.418 58.100 0.123 0.000 1.164 87 Y CB 1.862 40.355 38.460 0.055 0.000 1.155 87 Y HN 0.547 nan 8.280 nan 0.000 0.478 88 A N 2.815 125.779 122.820 0.241 0.000 2.365 88 A HA 0.731 5.051 4.320 -0.000 0.000 0.318 88 A C -0.964 176.695 177.584 0.124 0.000 1.091 88 A CA -0.799 51.327 52.037 0.149 0.000 0.763 88 A CB 1.352 20.420 19.000 0.114 0.000 1.248 88 A HN 0.611 nan 8.150 nan 0.000 0.442 89 V N 1.307 121.281 119.914 0.100 0.000 3.214 89 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 89 V C 0.342 176.482 176.094 0.077 0.000 1.078 89 V CA 0.059 62.415 62.300 0.094 0.000 1.077 89 V CB 1.873 33.768 31.823 0.120 0.000 1.121 89 V HN 0.881 nan 8.190 nan 0.000 0.468 90 S N 2.856 118.617 115.700 0.101 0.000 2.539 90 S HA 0.302 4.772 4.470 -0.000 0.000 0.235 90 S C -0.481 174.169 174.600 0.084 0.000 1.326 90 S CA -0.401 57.861 58.200 0.104 0.000 1.183 90 S CB 0.465 63.819 63.200 0.256 0.000 1.073 90 S HN 0.829 nan 8.310 nan 0.000 0.480 91 E N 3.220 123.380 120.200 -0.066 0.000 2.159 91 E HA 0.241 4.591 4.350 -0.000 0.000 0.272 91 E C -1.271 175.191 176.600 -0.229 0.000 1.138 91 E CA 0.309 56.691 56.400 -0.031 0.000 0.915 91 E CB 0.292 30.023 29.700 0.053 0.000 1.028 91 E HN 0.342 nan 8.360 nan 0.000 0.423 92 F N 0.731 120.755 119.950 0.124 0.000 2.588 92 F HA 0.127 4.654 4.527 -0.000 0.000 0.310 92 F C 0.879 176.739 175.800 0.099 0.000 1.082 92 F CA -0.837 57.224 58.000 0.101 0.000 0.929 92 F CB 2.114 41.164 39.000 0.083 0.000 1.254 92 F HN 0.321 nan 8.300 nan 0.000 0.455 93 S N 0.316 116.196 115.700 0.299 0.000 2.685 93 S HA 0.230 4.700 4.470 -0.000 0.000 0.240 93 S C -0.188 174.516 174.600 0.174 0.000 0.967 93 S CA -0.218 58.105 58.200 0.205 0.000 1.009 93 S CB -1.246 62.049 63.200 0.157 0.000 0.776 93 S HN 0.710 nan 8.310 nan 0.000 0.467 94 N N 0.588 119.398 118.700 0.183 0.000 3.513 94 N HA 0.356 5.096 4.740 -0.000 0.000 0.351 94 N C 0.067 175.627 175.510 0.084 0.000 1.624 94 N CA -0.877 52.235 53.050 0.104 0.000 0.712 94 N CB -0.173 38.347 38.487 0.055 0.000 2.106 94 N HN -0.090 nan 8.380 nan 0.000 0.649 95 E N -1.289 118.929 120.200 0.031 0.000 2.516 95 E HA 0.037 4.387 4.350 -0.000 0.000 0.199 95 E C 1.614 178.214 176.600 0.000 0.000 1.069 95 E CA 1.073 57.486 56.400 0.022 0.000 0.876 95 E CB -0.448 29.254 29.700 0.004 0.000 0.843 95 E HN 0.596 nan 8.360 nan 0.000 0.530 96 Q N 0.052 119.819 119.800 -0.054 0.000 2.389 96 Q HA 0.341 4.681 4.340 -0.000 0.000 0.204 96 Q C 1.201 177.260 176.000 0.098 0.000 0.944 96 Q CA 0.658 56.375 55.803 -0.143 0.000 0.908 96 Q CB -0.404 27.927 28.738 -0.679 0.000 1.002 96 Q HN 0.342 nan 8.270 nan 0.000 0.493 97 A N 0.359 123.308 122.820 0.215 0.000 2.573 97 A HA 0.519 4.839 4.320 -0.000 0.000 0.250 97 A C 0.596 178.310 177.584 0.215 0.000 1.049 97 A CA 0.734 52.937 52.037 0.278 0.000 0.767 97 A CB -0.629 18.510 19.000 0.232 0.000 0.965 97 A HN 1.588 nan 8.150 nan 0.000 0.514 98 A N 1.736 124.684 122.820 0.213 0.000 2.568 98 A HA 0.908 5.228 4.320 -0.000 0.000 0.291 98 A C -0.362 177.258 177.584 0.060 0.000 1.159 98 A CA -0.083 52.037 52.037 0.138 0.000 0.679 98 A CB 0.742 19.799 19.000 0.094 0.000 1.285 98 A HN 2.465 nan 8.150 nan 0.000 0.428 99 A N 0.847 123.592 122.820 -0.126 0.000 2.343 99 A HA 0.721 5.041 4.320 -0.000 0.000 0.316 99 A C -0.883 176.577 177.584 -0.207 0.000 1.104 99 A CA -0.718 51.168 52.037 -0.252 0.000 0.768 99 A CB 0.744 19.278 19.000 -0.777 0.000 1.213 99 A HN 0.676 nan 8.150 nan 0.000 0.456 100 N N 0.807 119.468 118.700 -0.064 0.000 2.405 100 N HA 0.620 5.360 4.740 -0.000 0.000 0.299 100 N C -0.694 174.798 175.510 -0.030 0.000 1.075 100 N CA -0.254 52.738 53.050 -0.096 0.000 0.884 100 N CB 2.264 40.724 38.487 -0.043 0.000 1.194 100 N HN 0.759 nan 8.380 nan 0.000 0.491 101 A N 2.016 124.733 122.820 -0.171 0.000 2.304 101 A HA 0.701 5.021 4.320 -0.000 0.000 0.314 101 A C -1.234 176.190 177.584 -0.266 0.000 1.187 101 A CA -0.519 51.492 52.037 -0.043 0.000 0.810 101 A CB 0.140 19.212 19.000 0.120 0.000 1.183 101 A HN 0.553 nan 8.150 nan 0.000 0.487 102 F N 1.437 121.372 119.950 -0.025 0.000 2.508 102 F HA 0.640 5.167 4.527 0.000 0.000 0.325 102 F C 0.710 176.599 175.800 0.148 0.000 1.090 102 F CA -0.374 57.679 58.000 0.088 0.000 0.945 102 F CB 2.293 41.389 39.000 0.160 0.000 1.156 102 F HN 0.696 nan 8.300 nan 0.000 0.463 103 A N 3.102 126.133 122.820 0.352 0.000 2.331 103 A HA 0.618 4.938 4.320 -0.000 0.000 0.283 103 A C -1.529 176.132 177.584 0.127 0.000 1.142 103 A CA -0.228 51.900 52.037 0.151 0.000 0.812 103 A CB 0.211 19.267 19.000 0.093 0.000 1.074 103 A HN 0.605 nan 8.150 nan 0.000 0.497 104 F N 3.086 122.885 119.950 -0.252 0.000 2.507 104 F HA 0.412 4.939 4.527 -0.000 0.000 0.328 104 F C -0.266 175.359 175.800 -0.292 0.000 1.136 104 F CA -1.072 56.758 58.000 -0.283 0.000 0.930 104 F CB 1.627 40.456 39.000 -0.286 0.000 1.166 104 F HN 0.557 nan 8.300 nan 0.000 0.436 105 N N 6.220 124.353 118.700 -0.945 0.000 2.589 105 N HA 0.100 4.840 4.740 -0.000 0.000 0.232 105 N C 0.828 175.705 175.510 -1.055 0.000 1.015 105 N CA 0.010 52.613 53.050 -0.745 0.000 0.931 105 N CB 0.996 39.202 38.487 -0.468 0.000 1.150 105 N HN 0.916 nan 8.380 nan 0.000 0.512 106 K N 2.637 122.561 120.400 -0.793 0.000 2.147 106 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 106 K C 0.537 176.951 176.600 -0.309 0.000 1.049 106 K CA 1.447 57.437 56.287 -0.495 0.000 0.936 106 K CB 0.377 32.815 32.500 -0.103 0.000 0.722 106 K HN 0.345 nan 8.250 nan 0.000 0.446 107 E N 0.260 120.302 120.200 -0.263 0.000 2.077 107 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 107 E C 2.141 178.633 176.600 -0.179 0.000 0.989 107 E CA 2.020 58.316 56.400 -0.173 0.000 0.800 107 E CB -0.129 29.486 29.700 -0.142 0.000 0.746 107 E HN 0.588 nan 8.360 nan 0.000 0.452 108 E N -0.517 119.535 120.200 -0.247 0.000 2.415 108 E HA 0.303 4.653 4.350 -0.000 0.000 0.197 108 E C 1.460 177.912 176.600 -0.246 0.000 1.007 108 E CA 0.610 56.885 56.400 -0.209 0.000 0.890 108 E CB -0.479 29.105 29.700 -0.194 0.000 0.891 108 E HN 0.273 nan 8.360 nan 0.000 0.496 109 G N 1.060 109.617 108.800 -0.405 0.000 2.176 109 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 109 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 109 G C 0.669 175.311 174.900 -0.430 0.000 1.024 109 G CA 1.177 46.033 45.100 -0.406 0.000 0.755 109 G HN 1.362 nan 8.290 nan 0.000 0.507 110 T N -1.958 112.282 114.554 -0.523 0.000 2.943 110 T HA 0.775 5.125 4.350 -0.000 0.000 0.284 110 T C -0.180 174.304 174.700 -0.359 0.000 1.015 110 T CA -0.896 61.021 62.100 -0.305 0.000 1.042 110 T CB 2.000 70.773 68.868 -0.158 0.000 1.055 110 T HN 0.332 nan 8.240 nan 0.000 0.500 111 F N 0.351 120.305 119.950 0.007 0.000 2.492 111 F HA 0.675 5.202 4.527 -0.000 0.000 0.327 111 F C 0.723 176.607 175.800 0.140 0.000 1.079 111 F CA -1.153 56.903 58.000 0.095 0.000 0.967 111 F CB 2.087 41.052 39.000 -0.058 0.000 1.169 111 F HN 0.520 nan 8.300 nan 0.000 0.472 112 R N 3.162 123.927 120.500 0.441 0.000 2.507 112 R HA 0.452 4.792 4.340 -0.000 0.000 0.298 112 R C -1.715 174.782 176.300 0.329 0.000 1.087 112 R CA -0.965 55.316 56.100 0.301 0.000 0.917 112 R CB 1.123 31.513 30.300 0.150 0.000 1.173 112 R HN 0.730 nan 8.270 nan 0.000 0.472 113 L N 5.464 126.827 121.223 0.232 0.000 2.562 113 L HA 0.044 4.384 4.340 -0.000 0.000 0.271 113 L C -0.057 176.723 176.870 -0.150 0.000 1.167 113 L CA 0.267 54.984 54.840 -0.205 0.000 0.917 113 L CB 0.515 42.455 42.059 -0.198 0.000 1.187 113 L HN 0.785 nan 8.230 nan 0.000 0.482 114 L N 4.380 125.485 121.223 -0.198 0.000 2.056 114 L HA 0.210 4.550 4.340 -0.000 0.000 0.202 114 L C 0.720 177.525 176.870 -0.108 0.000 1.086 114 L CA 1.152 55.945 54.840 -0.079 0.000 0.758 114 L CB -0.860 41.191 42.059 -0.012 0.000 0.912 114 L HN 1.014 nan 8.230 nan 0.000 0.446 115 N N -3.196 115.408 118.700 -0.160 0.000 3.179 115 N HA 0.243 4.983 4.740 -0.000 0.000 0.250 115 N C -1.221 174.194 175.510 -0.157 0.000 1.507 115 N CA -0.501 52.473 53.050 -0.127 0.000 0.883 115 N CB 1.273 39.719 38.487 -0.067 0.000 1.435 115 N HN -0.137 nan 8.380 nan 0.000 0.532 116 T N 0.595 115.085 114.554 -0.107 0.000 2.921 116 T HA 0.507 4.857 4.350 -0.000 0.000 0.297 116 T C -1.392 173.275 174.700 -0.054 0.000 1.013 116 T CA -0.605 61.436 62.100 -0.098 0.000 0.990 116 T CB 1.502 70.329 68.868 -0.069 0.000 1.023 116 T HN 0.381 nan 8.240 nan 0.000 0.447 117 Q N 2.025 121.783 119.800 -0.070 0.000 2.356 117 Q HA 0.413 4.753 4.340 -0.000 0.000 0.270 117 Q C -0.655 175.429 176.000 0.141 0.000 1.058 117 Q CA -1.088 54.744 55.803 0.048 0.000 0.802 117 Q CB 2.333 31.144 28.738 0.120 0.000 1.303 117 Q HN 0.384 nan 8.270 nan 0.000 0.444 118 K N 1.406 121.920 120.400 0.191 0.000 2.355 118 K HA 0.084 4.404 4.320 -0.000 0.000 0.270 118 K C 1.221 178.034 176.600 0.354 0.000 1.003 118 K CA 0.200 56.611 56.287 0.206 0.000 0.957 118 K CB 0.424 32.998 32.500 0.123 0.000 0.939 118 K HN 0.784 nan 8.250 nan 0.000 0.482 119 T N -2.238 112.510 114.554 0.324 0.000 3.054 119 T HA 0.080 4.430 4.350 -0.000 0.000 0.259 119 T C 1.276 176.045 174.700 0.115 0.000 1.092 119 T CA 0.503 62.802 62.100 0.332 0.000 1.121 119 T CB -0.102 68.957 68.868 0.319 0.000 0.912 119 T HN 0.748 nan 8.240 nan 0.000 0.489 120 G N 0.789 109.651 108.800 0.103 0.000 2.179 120 G HA2 0.083 4.043 3.960 -0.000 0.000 0.257 120 G HA3 0.083 4.043 3.960 -0.000 0.000 0.257 120 G C 0.302 175.234 174.900 0.052 0.000 1.010 120 G CA -0.074 45.056 45.100 0.050 0.000 0.736 120 G HN 1.301 nan 8.290 nan 0.000 0.513 121 G N -0.606 108.249 108.800 0.092 0.000 2.739 121 G HA2 0.598 4.558 3.960 -0.000 0.000 0.292 121 G HA3 0.598 4.558 3.960 -0.000 0.000 0.292 121 G C -0.422 174.562 174.900 0.138 0.000 1.444 121 G CA -0.484 44.675 45.100 0.099 0.000 1.144 121 G HN 0.357 nan 8.290 nan 0.000 0.550 122 E N 1.740 122.023 120.200 0.139 0.000 2.404 122 E HA 0.162 4.512 4.350 -0.000 0.000 0.261 122 E C -0.469 176.252 176.600 0.202 0.000 1.074 122 E CA -0.138 56.364 56.400 0.171 0.000 0.917 122 E CB 0.776 30.573 29.700 0.161 0.000 0.965 122 E HN 0.498 nan 8.360 nan 0.000 0.433 123 D N 1.211 121.738 120.400 0.212 0.000 2.737 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.238 123 D C -2.312 174.109 176.300 0.201 0.000 1.157 123 D CA 0.341 54.463 54.000 0.203 0.000 0.694 123 D CB -0.986 39.947 40.800 0.221 0.000 1.021 123 D HN 0.278 nan 8.370 nan 0.000 0.420 124 P HA 0.012 nan 4.420 nan 0.000 0.266 124 P C 1.101 178.506 177.300 0.175 0.000 1.215 124 P CA -0.130 63.087 63.100 0.195 0.000 0.763 124 P CB 0.632 32.454 31.700 0.204 0.000 0.806 125 C N 1.860 121.269 119.300 0.181 0.000 3.385 125 C HA 0.508 4.968 4.460 -0.000 0.000 0.288 125 C C -0.169 174.936 174.990 0.192 0.000 1.429 125 C CA -0.777 58.349 59.018 0.180 0.000 1.778 125 C CB -1.641 26.166 27.740 0.112 0.000 2.503 125 C HN 0.498 nan 8.230 nan 0.000 0.646 126 Y N 0.072 120.368 120.300 -0.006 0.000 2.521 126 Y HA 0.717 5.267 4.550 -0.000 0.000 0.332 126 Y C -1.351 174.546 175.900 -0.005 0.000 1.121 126 Y CA -0.976 56.969 58.100 -0.259 0.000 1.037 126 Y CB 1.366 39.658 38.460 -0.281 0.000 1.330 126 Y HN 0.316 nan 8.280 nan 0.000 0.452 127 I N 7.067 127.617 120.570 -0.034 0.000 2.752 127 I HA 0.671 4.841 4.170 -0.000 0.000 0.295 127 I C -1.659 174.560 176.117 0.170 0.000 1.219 127 I CA -0.832 60.569 61.300 0.168 0.000 1.030 127 I CB 1.707 39.817 38.000 0.184 0.000 1.259 127 I HN 0.667 nan 8.210 nan 0.000 0.423 128 I N 2.363 123.059 120.570 0.211 0.000 3.279 128 I HA 0.763 4.933 4.170 -0.000 0.000 0.315 128 I C -1.188 175.018 176.117 0.148 0.000 1.187 128 I CA -0.584 60.839 61.300 0.205 0.000 0.953 128 I CB 2.389 40.541 38.000 0.254 0.000 1.279 128 I HN 0.534 nan 8.210 nan 0.000 0.465 129 T N 0.853 115.490 114.554 0.138 0.000 2.982 129 T HA 0.340 4.690 4.350 -0.000 0.000 0.321 129 T C -0.720 174.035 174.700 0.093 0.000 1.229 129 T CA -0.564 61.576 62.100 0.066 0.000 1.044 129 T CB 1.299 70.197 68.868 0.050 0.000 1.184 129 T HN 0.953 nan 8.240 nan 0.000 0.477 130 N N 2.076 120.807 118.700 0.052 0.000 2.204 130 N HA 0.265 5.005 4.740 -0.000 0.000 0.219 130 N C 1.332 176.860 175.510 0.029 0.000 1.151 130 N CA 0.701 53.798 53.050 0.079 0.000 0.867 130 N CB 0.411 38.990 38.487 0.153 0.000 1.043 130 N HN 1.206 nan 8.380 nan 0.000 0.516 131 G N -0.381 108.423 108.800 0.006 0.000 2.253 131 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 131 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 131 G C 0.901 175.760 174.900 -0.068 0.000 0.998 131 G CA 0.531 45.634 45.100 0.006 0.000 0.621 131 G HN 0.432 nan 8.290 nan 0.000 0.524 132 S N -0.086 115.529 115.700 -0.141 0.000 2.599 132 S HA 0.281 4.751 4.470 -0.000 0.000 0.236 132 S C 0.575 174.978 174.600 -0.328 0.000 1.077 132 S CA 0.289 58.361 58.200 -0.212 0.000 0.906 132 S CB 0.324 63.392 63.200 -0.220 0.000 0.804 132 S HN 0.588 nan 8.310 nan 0.000 0.497 133 N N 0.621 119.061 118.700 -0.433 0.000 2.329 133 N HA 0.452 5.192 4.740 -0.000 0.000 0.282 133 N C -1.557 173.781 175.510 -0.288 0.000 1.198 133 N CA -0.283 52.487 53.050 -0.467 0.000 0.790 133 N CB 2.402 40.332 38.487 -0.929 0.000 1.579 133 N HN -0.109 nan 8.380 nan 0.000 0.475 134 V N 1.357 121.163 119.914 -0.180 0.000 2.547 134 V HA 0.523 4.643 4.120 -0.000 0.000 0.299 134 V C -0.140 176.042 176.094 0.148 0.000 1.040 134 V CA -0.583 61.667 62.300 -0.083 0.000 0.913 134 V CB 1.918 33.596 31.823 -0.242 0.000 0.992 134 V HN 0.368 nan 8.190 nan 0.000 0.449 135 V N 3.197 123.223 119.914 0.187 0.000 2.656 135 V HA 0.667 4.787 4.120 -0.000 0.000 0.307 135 V C -0.050 176.195 176.094 0.252 0.000 1.051 135 V CA -0.536 61.901 62.300 0.229 0.000 0.893 135 V CB 2.303 34.255 31.823 0.214 0.000 0.999 135 V HN 1.012 nan 8.190 nan 0.000 0.426 136 T N 1.049 115.764 114.554 0.268 0.000 2.887 136 T HA 0.854 5.204 4.350 -0.000 0.000 0.288 136 T C -0.340 174.491 174.700 0.219 0.000 1.021 136 T CA -0.600 61.659 62.100 0.266 0.000 1.000 136 T CB 1.974 71.031 68.868 0.316 0.000 1.034 136 T HN 1.074 nan 8.240 nan 0.000 0.467 137 A N 3.218 126.174 122.820 0.227 0.000 2.260 137 A HA 0.627 4.947 4.320 -0.000 0.000 0.314 137 A C -0.143 177.560 177.584 0.198 0.000 1.257 137 A CA -0.961 51.193 52.037 0.194 0.000 0.871 137 A CB 0.127 19.232 19.000 0.174 0.000 1.166 137 A HN 0.797 nan 8.150 nan 0.000 0.522 138 N N 2.563 121.373 118.700 0.183 0.000 2.485 138 N HA 0.144 4.884 4.740 -0.000 0.000 0.243 138 N C 0.224 175.844 175.510 0.183 0.000 0.987 138 N CA -0.233 52.929 53.050 0.186 0.000 0.940 138 N CB 1.055 39.641 38.487 0.164 0.000 1.122 138 N HN 0.746 nan 8.380 nan 0.000 0.509 139 Y N 2.884 123.229 120.300 0.076 0.000 2.070 139 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 139 Y C 1.987 178.019 175.900 0.221 0.000 1.148 139 Y CA 1.950 60.095 58.100 0.076 0.000 1.125 139 Y CB 0.186 38.606 38.460 -0.066 0.000 0.975 139 Y HN 0.424 nan 8.280 nan 0.000 0.492 140 S N -0.592 115.320 115.700 0.353 0.000 2.470 140 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 140 S C 1.980 176.664 174.600 0.141 0.000 1.006 140 S CA 0.693 59.064 58.200 0.286 0.000 0.934 140 S CB -0.378 62.996 63.200 0.290 0.000 0.778 140 S HN 0.672 nan 8.310 nan 0.000 0.517 141 G N 0.818 109.695 108.800 0.127 0.000 2.511 141 G HA2 0.307 4.267 3.960 -0.000 0.000 0.217 141 G HA3 0.307 4.267 3.960 -0.000 0.000 0.217 141 G C 0.964 175.894 174.900 0.051 0.000 1.133 141 G CA 0.282 45.432 45.100 0.084 0.000 0.792 141 G HN 0.775 nan 8.290 nan 0.000 0.539 142 G N -0.290 108.534 108.800 0.039 0.000 2.314 142 G HA2 0.062 4.022 3.960 -0.000 0.000 0.292 142 G HA3 0.062 4.022 3.960 -0.000 0.000 0.292 142 G C 0.251 175.269 174.900 0.196 0.000 1.059 142 G CA 1.045 46.170 45.100 0.042 0.000 0.982 142 G HN 1.730 nan 8.290 nan 0.000 0.505 143 S N -1.492 114.336 115.700 0.214 0.000 2.636 143 S HA 0.811 5.281 4.470 -0.000 0.000 0.268 143 S C -0.542 174.195 174.600 0.229 0.000 1.159 143 S CA -0.553 57.795 58.200 0.247 0.000 0.815 143 S CB 2.076 65.311 63.200 0.059 0.000 1.130 143 S HN 1.711 nan 8.310 nan 0.000 0.471 144 I N -1.283 119.395 120.570 0.180 0.000 2.689 144 I HA 0.868 5.038 4.170 -0.000 0.000 0.299 144 I C -0.882 175.231 176.117 -0.008 0.000 1.059 144 I CA -0.735 60.633 61.300 0.113 0.000 1.055 144 I CB 2.278 40.343 38.000 0.109 0.000 1.243 144 I HN 0.541 nan 8.210 nan 0.000 0.425 145 S N 3.594 119.287 115.700 -0.012 0.000 2.503 145 S HA 0.711 5.181 4.470 -0.000 0.000 0.301 145 S C -0.512 173.956 174.600 -0.220 0.000 1.087 145 S CA -0.666 57.427 58.200 -0.178 0.000 1.042 145 S CB 2.236 65.292 63.200 -0.238 0.000 1.043 145 S HN 0.481 nan 8.310 nan 0.000 0.489 146 V N 3.130 122.829 119.914 -0.358 0.000 2.448 146 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 146 V C -1.375 174.469 176.094 -0.418 0.000 1.025 146 V CA -0.548 61.620 62.300 -0.221 0.000 0.859 146 V CB 0.756 32.552 31.823 -0.045 0.000 0.988 146 V HN 0.816 nan 8.190 nan 0.000 0.431 147 F N 5.694 125.591 119.950 -0.090 0.000 2.403 147 F HA 0.515 5.042 4.527 -0.000 0.000 0.355 147 F C -2.330 173.354 175.800 -0.193 0.000 1.119 147 F CA -2.587 55.339 58.000 -0.122 0.000 1.007 147 F CB 1.695 40.624 39.000 -0.118 0.000 1.194 147 F HN 0.305 nan 8.300 nan 0.000 0.443 148 P HA 0.133 nan 4.420 nan 0.000 0.271 148 P C -0.281 176.953 177.300 -0.109 0.000 1.216 148 P CA 0.055 63.082 63.100 -0.122 0.000 0.776 148 P CB 0.795 32.436 31.700 -0.098 0.000 0.881 149 I N 2.409 122.879 120.570 -0.167 0.000 2.342 149 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 149 I C 0.933 176.975 176.117 -0.125 0.000 1.010 149 I CA -0.418 60.780 61.300 -0.169 0.000 1.308 149 I CB 0.679 38.547 38.000 -0.221 0.000 1.400 149 I HN 0.268 nan 8.210 nan 0.000 0.488 150 D N 4.723 125.061 120.400 -0.102 0.000 2.377 150 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 150 D C 1.053 177.301 176.300 -0.087 0.000 1.196 150 D CA -0.152 53.802 54.000 -0.077 0.000 0.962 150 D CB 1.111 41.880 40.800 -0.052 0.000 1.127 150 D HN 0.376 nan 8.370 nan 0.000 0.471 151 K N -0.013 120.354 120.400 -0.055 0.000 2.113 151 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 151 K C 0.975 177.553 176.600 -0.037 0.000 1.047 151 K CA 1.716 57.981 56.287 -0.038 0.000 0.928 151 K CB -0.066 32.426 32.500 -0.014 0.000 0.716 151 K HN 0.399 nan 8.250 nan 0.000 0.446 152 D N -1.206 119.171 120.400 -0.039 0.000 2.325 152 D HA 0.089 4.729 4.640 -0.000 0.000 0.225 152 D C 1.029 177.262 176.300 -0.111 0.000 1.096 152 D CA 0.504 54.503 54.000 -0.001 0.000 0.844 152 D CB 0.405 41.230 40.800 0.040 0.000 0.925 152 D HN 0.286 nan 8.370 nan 0.000 0.513 153 G N 0.097 108.683 108.800 -0.356 0.000 2.217 153 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 153 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 153 G C 0.549 175.286 174.900 -0.272 0.000 0.990 153 G CA 0.380 44.988 45.100 -0.820 0.000 0.627 153 G HN 0.813 nan 8.290 nan 0.000 0.522 154 S N 0.054 115.692 115.700 -0.103 0.000 2.634 154 S HA 0.753 5.223 4.470 -0.000 0.000 0.261 154 S C 0.304 174.889 174.600 -0.025 0.000 1.271 154 S CA -0.549 57.644 58.200 -0.013 0.000 0.985 154 S CB 1.403 64.594 63.200 -0.016 0.000 0.968 154 S HN 0.721 nan 8.310 nan 0.000 0.568 155 L N 0.965 122.175 121.223 -0.022 0.000 2.317 155 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 155 L C -0.094 176.782 176.870 0.010 0.000 1.024 155 L CA -0.796 54.021 54.840 -0.038 0.000 0.810 155 L CB 1.167 43.158 42.059 -0.114 0.000 1.240 155 L HN 0.607 nan 8.230 nan 0.000 0.427 156 L N 2.692 123.938 121.223 0.037 0.000 2.479 156 L HA 0.415 4.755 4.340 -0.000 0.000 0.249 156 L C -2.080 174.869 176.870 0.133 0.000 1.178 156 L CA -1.776 53.093 54.840 0.048 0.000 0.811 156 L CB 0.541 42.608 42.059 0.013 0.000 1.187 156 L HN 0.306 nan 8.230 nan 0.000 0.480 157 P HA 0.031 nan 4.420 nan 0.000 0.269 157 P C -0.973 176.365 177.300 0.064 0.000 1.215 157 P CA -0.317 62.858 63.100 0.125 0.000 0.780 157 P CB 0.468 32.198 31.700 0.050 0.000 0.898 158 A N 2.101 124.895 122.820 -0.044 0.000 2.580 158 A HA -0.001 4.319 4.320 -0.000 0.000 0.244 158 A C 1.655 179.089 177.584 -0.250 0.000 1.045 158 A CA 0.768 52.527 52.037 -0.463 0.000 0.761 158 A CB -0.593 18.072 19.000 -0.557 0.000 0.962 158 A HN 0.510 nan 8.150 nan 0.000 0.512 159 S N 1.592 117.142 115.700 -0.250 0.000 2.456 159 S HA 0.106 4.576 4.470 -0.000 0.000 0.224 159 S C 0.483 174.998 174.600 -0.141 0.000 1.035 159 S CA 0.843 58.955 58.200 -0.147 0.000 0.940 159 S CB -0.076 63.057 63.200 -0.112 0.000 0.799 159 S HN 0.800 nan 8.310 nan 0.000 0.508 160 E N 0.672 120.762 120.200 -0.183 0.000 2.278 160 E HA 0.438 4.788 4.350 -0.000 0.000 0.272 160 E C -1.504 174.979 176.600 -0.195 0.000 0.890 160 E CA -0.642 55.666 56.400 -0.154 0.000 0.770 160 E CB 2.352 31.985 29.700 -0.111 0.000 1.212 160 E HN 0.194 nan 8.360 nan 0.000 0.415 161 V N -0.065 119.746 119.914 -0.172 0.000 2.443 161 V HA 0.609 4.729 4.120 -0.000 0.000 0.293 161 V C -0.615 175.371 176.094 -0.179 0.000 1.021 161 V CA -0.787 61.413 62.300 -0.168 0.000 0.848 161 V CB 1.441 33.181 31.823 -0.139 0.000 0.998 161 V HN 0.387 nan 8.190 nan 0.000 0.424 162 V N 5.835 125.616 119.914 -0.222 0.000 2.347 162 V HA 0.483 4.603 4.120 -0.000 0.000 0.280 162 V C 0.263 176.063 176.094 -0.490 0.000 1.021 162 V CA -0.534 61.554 62.300 -0.354 0.000 0.847 162 V CB 1.382 32.965 31.823 -0.399 0.000 0.990 162 V HN 0.906 nan 8.190 nan 0.000 0.444 163 K N 5.100 125.225 120.400 -0.459 0.000 2.185 163 K HA 0.595 4.915 4.320 -0.000 0.000 0.269 163 K C -1.062 175.217 176.600 -0.535 0.000 0.987 163 K CA -0.275 55.797 56.287 -0.358 0.000 0.865 163 K CB 1.749 34.148 32.500 -0.168 0.000 1.090 163 K HN 0.386 nan 8.250 nan 0.000 0.450 164 F N 1.446 121.341 119.950 -0.092 0.000 2.450 164 F HA 0.449 4.976 4.527 -0.000 0.000 0.328 164 F C 0.759 176.519 175.800 -0.068 0.000 1.068 164 F CA -0.729 57.201 58.000 -0.117 0.000 1.007 164 F CB 1.119 39.993 39.000 -0.210 0.000 1.251 164 F HN 0.098 nan 8.300 nan 0.000 0.492 165 K N 0.682 121.171 120.400 0.148 0.000 2.443 165 K HA 0.827 5.147 4.320 -0.000 0.000 0.251 165 K C -0.344 176.306 176.600 0.084 0.000 0.972 165 K CA -0.863 55.468 56.287 0.072 0.000 0.833 165 K CB 2.207 34.726 32.500 0.031 0.000 1.317 165 K HN 0.880 nan 8.250 nan 0.000 0.441 166 G N 0.107 108.931 108.800 0.040 0.000 2.347 166 G HA2 0.177 4.137 3.960 -0.000 0.000 0.341 166 G HA3 0.177 4.137 3.960 -0.000 0.000 0.341 166 G C -1.319 173.586 174.900 0.009 0.000 1.287 166 G CA -0.244 44.876 45.100 0.034 0.000 0.984 166 G HN 0.890 nan 8.290 nan 0.000 0.526 167 S N -1.742 113.965 115.700 0.012 0.000 2.643 167 S HA 0.967 5.437 4.470 -0.000 0.000 0.270 167 S C 0.170 174.781 174.600 0.019 0.000 1.166 167 S CA 0.431 58.636 58.200 0.010 0.000 0.815 167 S CB 1.425 64.632 63.200 0.013 0.000 1.139 167 S HN 2.456 nan 8.310 nan 0.000 0.472 168 G N -0.483 108.334 108.800 0.029 0.000 3.262 168 G HA2 0.722 4.682 3.960 -0.000 0.000 0.229 168 G HA3 0.722 4.682 3.960 -0.000 0.000 0.229 168 G C 0.800 175.718 174.900 0.030 0.000 1.280 168 G CA -0.222 44.895 45.100 0.029 0.000 0.951 168 G HN 1.204 nan 8.290 nan 0.000 0.589 169 A N -0.798 122.039 122.820 0.028 0.000 1.841 169 A HA 0.116 4.436 4.320 -0.000 0.000 0.214 169 A C 1.241 178.844 177.584 0.032 0.000 1.195 169 A CA 1.641 53.693 52.037 0.026 0.000 0.611 169 A CB -0.572 18.441 19.000 0.021 0.000 0.835 169 A HN 0.492 nan 8.150 nan 0.000 0.443 170 D N 0.466 120.890 120.400 0.040 0.000 2.346 170 D HA 0.081 4.721 4.640 -0.000 0.000 0.260 170 D C 0.364 176.696 176.300 0.053 0.000 1.252 170 D CA 0.077 54.104 54.000 0.045 0.000 0.895 170 D CB 0.581 41.412 40.800 0.052 0.000 1.097 170 D HN 0.327 nan 8.370 nan 0.000 0.489 171 K N 2.995 123.423 120.400 0.046 0.000 2.487 171 K HA -0.037 4.283 4.320 -0.000 0.000 0.192 171 K C 1.244 177.879 176.600 0.059 0.000 1.027 171 K CA 0.145 56.461 56.287 0.049 0.000 1.054 171 K CB 0.806 33.329 32.500 0.037 0.000 0.824 171 K HN 0.514 nan 8.250 nan 0.000 0.510 172 E N 0.835 121.073 120.200 0.063 0.000 2.290 172 E HA 0.013 4.363 4.350 -0.000 0.000 0.199 172 E C 1.524 178.178 176.600 0.091 0.000 0.912 172 E CA 0.064 56.505 56.400 0.069 0.000 0.924 172 E CB 0.553 30.286 29.700 0.055 0.000 0.901 172 E HN 0.044 nan 8.360 nan 0.000 0.487 173 R N 0.220 120.775 120.500 0.092 0.000 2.265 173 R HA 0.178 4.518 4.340 -0.000 0.000 0.194 173 R C 0.567 176.969 176.300 0.171 0.000 0.931 173 R CA 0.383 56.545 56.100 0.104 0.000 1.032 173 R CB 0.356 30.706 30.300 0.084 0.000 0.980 173 R HN 0.208 nan 8.270 nan 0.000 0.497 174 Q N 1.045 120.938 119.800 0.156 0.000 2.324 174 Q HA 0.047 4.387 4.340 -0.000 0.000 0.373 174 Q C 0.723 176.788 176.000 0.108 0.000 0.909 174 Q CA -0.199 55.699 55.803 0.158 0.000 1.135 174 Q CB 1.035 29.832 28.738 0.100 0.000 1.313 174 Q HN 0.183 nan 8.270 nan 0.000 0.417 175 E N 1.379 121.658 120.200 0.133 0.000 2.216 175 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 175 E C 0.243 176.849 176.600 0.011 0.000 0.988 175 E CA 0.962 57.406 56.400 0.072 0.000 0.834 175 E CB 0.260 30.014 29.700 0.090 0.000 0.772 175 E HN 0.381 nan 8.360 nan 0.000 0.479 176 K N -0.624 119.735 120.400 -0.068 0.000 2.571 176 K HA 0.538 4.858 4.320 -0.000 0.000 0.289 176 K C -3.216 173.124 176.600 -0.433 0.000 1.028 176 K CA -2.252 53.918 56.287 -0.194 0.000 0.895 176 K CB 1.303 33.694 32.500 -0.181 0.000 1.534 176 K HN -0.328 nan 8.250 nan 0.000 0.421 177 P HA 0.087 nan 4.420 nan 0.000 0.269 177 P C -1.373 175.558 177.300 -0.615 0.000 1.209 177 P CA 0.050 62.978 63.100 -0.287 0.000 0.776 177 P CB 0.144 31.820 31.700 -0.041 0.000 0.876 178 H N 1.249 120.207 119.070 -0.186 0.000 3.162 178 H HA 0.311 4.867 4.556 0.000 0.000 0.309 178 H C -0.919 174.272 175.328 -0.227 0.000 1.156 178 H CA -0.717 55.058 56.048 -0.455 0.000 1.586 178 H CB 0.341 29.537 29.762 -0.943 0.000 1.740 178 H HN 0.158 nan 8.280 nan 0.000 0.525 179 L N 3.153 124.372 121.223 -0.007 0.000 2.313 179 L HA 0.101 4.441 4.340 -0.000 0.000 0.282 179 L C 1.168 178.135 176.870 0.161 0.000 1.092 179 L CA 0.308 55.196 54.840 0.079 0.000 0.831 179 L CB 0.294 42.412 42.059 0.098 0.000 1.159 179 L HN 0.756 nan 8.230 nan 0.000 0.442 180 H N 1.551 120.711 119.070 0.150 0.000 2.885 180 H HA 0.327 4.883 4.556 -0.000 0.000 0.260 180 H C -0.564 174.793 175.328 0.049 0.000 0.985 180 H CA 0.059 56.234 56.048 0.213 0.000 1.210 180 H CB 1.129 31.038 29.762 0.245 0.000 1.466 180 H HN 0.570 nan 8.280 nan 0.000 0.493 181 C N 0.791 120.084 119.300 -0.012 0.000 3.241 181 C HA 0.557 5.017 4.460 -0.000 0.000 0.348 181 C C -1.568 173.214 174.990 -0.347 0.000 1.180 181 C CA -0.505 58.155 59.018 -0.597 0.000 1.273 181 C CB 0.542 27.865 27.740 -0.695 0.000 1.620 181 C HN 0.102 nan 8.230 nan 0.000 0.510 182 V N 3.462 123.135 119.914 -0.401 0.000 2.686 182 V HA 0.813 4.933 4.120 -0.000 0.000 0.306 182 V C -0.858 175.259 176.094 0.037 0.000 1.065 182 V CA -0.579 61.703 62.300 -0.031 0.000 0.894 182 V CB 1.704 33.593 31.823 0.111 0.000 1.004 182 V HN 0.937 nan 8.190 nan 0.000 0.424 183 R N 3.645 124.220 120.500 0.126 0.000 2.564 183 R HA 0.609 4.949 4.340 -0.000 0.000 0.284 183 R C -1.395 175.034 176.300 0.215 0.000 1.031 183 R CA -0.618 55.614 56.100 0.219 0.000 0.904 183 R CB 2.579 33.050 30.300 0.285 0.000 1.199 183 R HN 0.888 nan 8.270 nan 0.000 0.443 184 I N 2.947 123.608 120.570 0.152 0.000 2.371 184 I HA 0.072 4.242 4.170 -0.000 0.000 0.290 184 I C 1.204 177.284 176.117 -0.062 0.000 1.028 184 I CA -0.121 61.208 61.300 0.048 0.000 1.345 184 I CB 1.506 39.540 38.000 0.056 0.000 1.407 184 I HN 0.626 nan 8.210 nan 0.000 0.501 185 T N 3.675 118.122 114.554 -0.179 0.000 2.856 185 T HA 0.028 4.378 4.350 -0.000 0.000 0.329 185 T C -1.752 172.661 174.700 -0.478 0.000 1.094 185 T CA -1.005 60.739 62.100 -0.593 0.000 1.112 185 T CB 0.175 68.833 68.868 -0.350 0.000 1.009 185 T HN 0.383 nan 8.240 nan 0.000 0.550 186 P HA -0.101 nan 4.420 nan 0.000 0.217 186 P C 1.004 178.253 177.300 -0.085 0.000 1.148 186 P CA 1.367 64.300 63.100 -0.279 0.000 0.828 186 P CB -0.139 31.425 31.700 -0.228 0.000 0.783 187 D N -2.276 118.113 120.400 -0.019 0.000 2.317 187 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 187 D C 1.553 177.858 176.300 0.008 0.000 0.966 187 D CA 0.975 55.002 54.000 0.045 0.000 0.876 187 D CB -1.080 39.802 40.800 0.136 0.000 0.927 187 D HN 0.209 nan 8.370 nan 0.000 0.519 188 G N 0.355 109.141 108.800 -0.024 0.000 2.179 188 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.260 188 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.260 188 G C 1.089 175.938 174.900 -0.084 0.000 0.977 188 G CA 0.535 45.615 45.100 -0.033 0.000 0.641 188 G HN 0.460 nan 8.290 nan 0.000 0.533 189 K N -1.117 119.206 120.400 -0.128 0.000 2.305 189 K HA 0.287 4.607 4.320 -0.000 0.000 0.199 189 K C 0.388 176.575 176.600 -0.689 0.000 1.047 189 K CA 0.714 56.758 56.287 -0.405 0.000 0.976 189 K CB 0.240 32.430 32.500 -0.516 0.000 0.765 189 K HN 0.527 nan 8.250 nan 0.000 0.474 190 Y N -0.448 119.781 120.300 -0.119 0.000 2.638 190 Y HA 0.512 5.062 4.550 0.000 0.000 0.339 190 Y C -0.851 174.876 175.900 -0.287 0.000 1.084 190 Y CA -1.321 56.644 58.100 -0.225 0.000 1.068 190 Y CB 1.633 39.912 38.460 -0.302 0.000 1.294 190 Y HN -0.236 nan 8.280 nan 0.000 0.480 191 L N 1.490 122.620 121.223 -0.155 0.000 2.438 191 L HA 0.659 4.999 4.340 -0.000 0.000 0.270 191 L C -2.120 174.674 176.870 -0.127 0.000 0.972 191 L CA -0.454 54.323 54.840 -0.105 0.000 0.831 191 L CB 1.099 43.126 42.059 -0.054 0.000 1.273 191 L HN 0.501 nan 8.230 nan 0.000 0.405 192 F N 3.702 123.766 119.950 0.191 0.000 2.458 192 F HA 0.722 5.249 4.527 0.000 0.000 0.336 192 F C 0.414 176.276 175.800 0.104 0.000 1.114 192 F CA -0.585 57.501 58.000 0.145 0.000 0.987 192 F CB 2.105 41.142 39.000 0.062 0.000 1.130 192 F HN 0.488 nan 8.300 nan 0.000 0.458 193 A N 2.969 125.984 122.820 0.326 0.000 2.285 193 A HA 0.529 4.849 4.320 -0.000 0.000 0.310 193 A C -1.030 176.598 177.584 0.073 0.000 1.266 193 A CA -0.847 51.299 52.037 0.181 0.000 0.832 193 A CB 0.138 19.281 19.000 0.239 0.000 1.163 193 A HN 0.582 nan 8.150 nan 0.000 0.499 194 D N 1.982 122.389 120.400 0.012 0.000 2.383 194 D HA 0.241 4.881 4.640 -0.000 0.000 0.252 194 D C -0.757 175.549 176.300 0.009 0.000 1.166 194 D CA 0.788 54.776 54.000 -0.019 0.000 0.879 194 D CB 1.374 42.166 40.800 -0.013 0.000 1.164 194 D HN 0.466 nan 8.370 nan 0.000 0.462 195 D N 2.705 123.074 120.400 -0.051 0.000 2.464 195 D HA 0.075 4.715 4.640 -0.000 0.000 0.243 195 D C 0.965 177.273 176.300 0.014 0.000 1.104 195 D CA -0.562 53.423 54.000 -0.026 0.000 0.883 195 D CB 0.792 41.540 40.800 -0.086 0.000 1.050 195 D HN 0.272 nan 8.370 nan 0.000 0.524 196 L N 3.290 124.573 121.223 0.100 0.000 2.083 196 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 196 L C 1.941 178.885 176.870 0.124 0.000 1.083 196 L CA 1.985 56.907 54.840 0.136 0.000 0.752 196 L CB -0.061 42.156 42.059 0.264 0.000 0.899 196 L HN 0.496 nan 8.230 nan 0.000 0.433 197 G N -1.686 107.194 108.800 0.133 0.000 2.443 197 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 197 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 197 G C 1.289 176.214 174.900 0.042 0.000 1.131 197 G CA 1.107 46.281 45.100 0.124 0.000 0.775 197 G HN 0.522 nan 8.290 nan 0.000 0.547 198 T N -3.242 111.319 114.554 0.012 0.000 3.170 198 T HA 0.226 4.576 4.350 -0.000 0.000 0.288 198 T C 0.285 174.966 174.700 -0.031 0.000 0.992 198 T CA 0.422 62.520 62.100 -0.004 0.000 0.909 198 T CB 0.322 69.194 68.868 0.008 0.000 1.133 198 T HN 0.097 nan 8.240 nan 0.000 0.530 199 D N 1.477 121.861 120.400 -0.028 0.000 2.689 199 D HA -0.132 4.508 4.640 -0.000 0.000 0.237 199 D C -0.172 176.077 176.300 -0.084 0.000 1.148 199 D CA 0.986 54.965 54.000 -0.036 0.000 0.656 199 D CB -1.029 39.764 40.800 -0.012 0.000 1.050 199 D HN 0.676 nan 8.370 nan 0.000 0.426 200 Q N -0.787 118.909 119.800 -0.174 0.000 2.451 200 Q HA 0.700 5.040 4.340 -0.000 0.000 0.281 200 Q C -0.032 175.750 176.000 -0.363 0.000 1.099 200 Q CA -0.801 54.825 55.803 -0.295 0.000 0.806 200 Q CB 2.285 30.722 28.738 -0.501 0.000 1.419 200 Q HN 0.134 nan 8.270 nan 0.000 0.427 201 I N 2.193 122.584 120.570 -0.300 0.000 2.405 201 I HA 0.257 4.427 4.170 -0.000 0.000 0.280 201 I C -0.724 175.298 176.117 -0.157 0.000 1.027 201 I CA -0.530 60.645 61.300 -0.208 0.000 1.161 201 I CB 0.749 38.625 38.000 -0.208 0.000 1.300 201 I HN 0.544 nan 8.210 nan 0.000 0.463 202 H N 4.926 123.964 119.070 -0.053 0.000 2.815 202 H HA 0.160 4.716 4.556 -0.000 0.000 0.350 202 H C 0.016 175.365 175.328 0.036 0.000 1.080 202 H CA 0.314 56.304 56.048 -0.098 0.000 1.433 202 H CB 0.813 30.443 29.762 -0.220 0.000 1.432 202 H HN 0.417 nan 8.280 nan 0.000 0.592 203 K N 3.147 123.514 120.400 -0.054 0.000 2.221 203 K HA 0.412 4.732 4.320 -0.000 0.000 0.258 203 K C -1.592 174.755 176.600 -0.421 0.000 0.944 203 K CA -0.519 55.718 56.287 -0.083 0.000 0.823 203 K CB 0.831 33.310 32.500 -0.036 0.000 1.113 203 K HN 0.376 nan 8.250 nan 0.000 0.431 204 F N 2.868 122.793 119.950 -0.040 0.000 2.599 204 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 204 F C -0.219 175.559 175.800 -0.037 0.000 1.076 204 F CA -0.833 57.145 58.000 -0.036 0.000 0.937 204 F CB 1.518 40.476 39.000 -0.069 0.000 1.282 204 F HN 0.267 nan 8.300 nan 0.000 0.460 205 I N 2.844 123.503 120.570 0.148 0.000 2.331 205 I HA 0.346 4.516 4.170 -0.000 0.000 0.292 205 I C -0.784 175.229 176.117 -0.172 0.000 0.998 205 I CA -0.864 60.413 61.300 -0.038 0.000 1.267 205 I CB 1.357 39.334 38.000 -0.038 0.000 1.386 205 I HN 0.147 nan 8.210 nan 0.000 0.476 206 V N 6.155 125.889 119.914 -0.300 0.000 2.432 206 V HA 0.157 4.277 4.120 -0.000 0.000 0.275 206 V C 0.321 176.273 176.094 -0.236 0.000 1.043 206 V CA -0.567 61.499 62.300 -0.390 0.000 0.925 206 V CB 1.255 32.862 31.823 -0.360 0.000 0.985 206 V HN 0.630 nan 8.190 nan 0.000 0.466 207 N N 6.976 125.583 118.700 -0.155 0.000 2.437 207 N HA 0.289 5.029 4.740 -0.000 0.000 0.243 207 N C -1.762 173.830 175.510 0.136 0.000 1.041 207 N CA -2.032 51.024 53.050 0.009 0.000 0.940 207 N CB 1.907 40.426 38.487 0.054 0.000 1.133 207 N HN 0.255 nan 8.380 nan 0.000 0.506 208 P HA -0.044 nan 4.420 nan 0.000 0.219 208 P C 0.223 177.565 177.300 0.070 0.000 1.146 208 P CA 1.072 64.220 63.100 0.080 0.000 0.808 208 P CB 0.388 32.102 31.700 0.024 0.000 0.779 209 N N -1.015 117.717 118.700 0.054 0.000 2.280 209 N HA 0.113 4.853 4.740 -0.000 0.000 0.192 209 N C 0.437 175.963 175.510 0.027 0.000 1.109 209 N CA 0.046 53.114 53.050 0.030 0.000 0.855 209 N CB -0.148 38.349 38.487 0.016 0.000 0.974 209 N HN 0.037 nan 8.380 nan 0.000 0.482 210 A N 1.774 124.635 122.820 0.068 0.000 2.451 210 A HA 0.360 4.680 4.320 -0.000 0.000 0.266 210 A C 0.601 178.142 177.584 -0.072 0.000 1.119 210 A CA -0.065 51.997 52.037 0.042 0.000 0.786 210 A CB -0.006 19.101 19.000 0.178 0.000 1.061 210 A HN 0.342 nan 8.150 nan 0.000 0.503 211 K N 0.878 121.231 120.400 -0.079 0.000 2.466 211 K HA 0.745 5.065 4.320 -0.000 0.000 0.277 211 K C 0.686 177.230 176.600 -0.094 0.000 1.039 211 K CA -0.295 55.922 56.287 -0.117 0.000 0.904 211 K CB 1.080 33.528 32.500 -0.087 0.000 1.506 211 K HN 0.429 nan 8.250 nan 0.000 0.441 212 A N 0.724 123.486 122.820 -0.097 0.000 1.948 212 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 212 A C 1.523 179.077 177.584 -0.050 0.000 1.177 212 A CA 2.495 54.488 52.037 -0.074 0.000 0.636 212 A CB -1.278 17.679 19.000 -0.071 0.000 0.815 212 A HN 0.906 nan 8.150 nan 0.000 0.449 213 D N -0.300 120.074 120.400 -0.043 0.000 2.277 213 D HA -0.012 4.628 4.640 -0.000 0.000 0.208 213 D C 0.583 176.868 176.300 -0.026 0.000 0.962 213 D CA 0.831 54.813 54.000 -0.030 0.000 0.865 213 D CB -0.468 40.317 40.800 -0.025 0.000 0.939 213 D HN 0.667 nan 8.370 nan 0.000 0.510 214 N N -1.286 117.397 118.700 -0.027 0.000 2.741 214 N HA 0.470 5.210 4.740 -0.000 0.000 0.310 214 N C 0.438 175.936 175.510 -0.021 0.000 1.295 214 N CA -0.164 52.874 53.050 -0.020 0.000 0.893 214 N CB 0.237 38.715 38.487 -0.015 0.000 1.247 214 N HN -0.023 nan 8.380 nan 0.000 0.596 215 E N -1.491 118.701 120.200 -0.014 0.000 2.501 215 E HA 0.150 4.500 4.350 -0.000 0.000 0.201 215 E C -0.728 175.869 176.600 -0.005 0.000 1.016 215 E CA -0.333 56.059 56.400 -0.014 0.000 0.920 215 E CB -0.885 28.806 29.700 -0.014 0.000 1.023 215 E HN 0.699 nan 8.360 nan 0.000 0.474 216 D N 0.480 120.881 120.400 0.001 0.000 2.531 216 D HA 0.117 4.757 4.640 -0.000 0.000 0.239 216 D C 0.193 176.513 176.300 0.034 0.000 1.144 216 D CA 0.164 54.173 54.000 0.016 0.000 0.869 216 D CB 1.354 42.167 40.800 0.022 0.000 1.160 216 D HN 0.182 nan 8.370 nan 0.000 0.484 217 V N 4.021 123.954 119.914 0.031 0.000 2.529 217 V HA -0.100 4.020 4.120 -0.000 0.000 0.292 217 V C 1.145 177.299 176.094 0.099 0.000 1.028 217 V CA -0.108 62.218 62.300 0.043 0.000 1.074 217 V CB 0.474 32.305 31.823 0.013 0.000 0.958 217 V HN 0.493 nan 8.190 nan 0.000 0.481 218 F N 5.887 125.796 119.950 -0.068 0.000 2.187 218 F HA 0.207 4.734 4.527 -0.000 0.000 0.295 218 F C 0.729 176.485 175.800 -0.074 0.000 1.091 218 F CA 0.994 58.951 58.000 -0.072 0.000 1.308 218 F CB 0.270 39.219 39.000 -0.085 0.000 1.030 218 F HN 0.260 nan 8.300 nan 0.000 0.487 219 L N 1.047 122.141 121.223 -0.215 0.000 2.385 219 L HA 0.664 5.004 4.340 -0.000 0.000 0.273 219 L C -0.306 176.525 176.870 -0.065 0.000 0.990 219 L CA -0.640 54.008 54.840 -0.319 0.000 0.821 219 L CB 1.442 43.164 42.059 -0.560 0.000 1.279 219 L HN -0.140 nan 8.230 nan 0.000 0.412 220 K N 1.866 122.329 120.400 0.105 0.000 2.426 220 K HA 0.456 4.776 4.320 -0.000 0.000 0.251 220 K C -0.471 176.312 176.600 0.305 0.000 0.941 220 K CA -0.759 55.639 56.287 0.185 0.000 0.808 220 K CB 1.848 34.385 32.500 0.061 0.000 1.265 220 K HN 0.674 nan 8.250 nan 0.000 0.432 221 E N 0.854 121.165 120.200 0.184 0.000 2.558 221 E HA 0.148 4.498 4.350 -0.000 0.000 0.255 221 E C 0.659 177.214 176.600 -0.074 0.000 0.968 221 E CA 0.597 56.942 56.400 -0.091 0.000 0.939 221 E CB 0.465 30.110 29.700 -0.091 0.000 0.921 221 E HN 0.734 nan 8.360 nan 0.000 0.477 222 G N 1.881 110.592 108.800 -0.148 0.000 2.537 222 G HA2 0.259 4.219 3.960 -0.000 0.000 0.297 222 G HA3 0.259 4.219 3.960 -0.000 0.000 0.297 222 G C -0.839 174.010 174.900 -0.085 0.000 1.310 222 G CA -0.427 44.647 45.100 -0.044 0.000 1.027 222 G HN 0.407 nan 8.290 nan 0.000 0.505 223 S N 0.791 116.459 115.700 -0.053 0.000 2.596 223 S HA 0.619 5.089 4.470 -0.000 0.000 0.318 223 S C -2.279 172.256 174.600 -0.109 0.000 1.097 223 S CA -1.200 56.952 58.200 -0.079 0.000 1.080 223 S CB 1.659 64.839 63.200 -0.034 0.000 0.991 223 S HN 0.505 nan 8.310 nan 0.000 0.471 224 P HA 0.322 nan 4.420 nan 0.000 0.276 224 P C 0.677 177.809 177.300 -0.280 0.000 1.261 224 P CA -0.469 62.488 63.100 -0.239 0.000 0.800 224 P CB 0.754 32.282 31.700 -0.287 0.000 1.066 225 A N 0.656 123.349 122.820 -0.211 0.000 2.070 225 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 225 A C 1.018 178.482 177.584 -0.200 0.000 1.159 225 A CA 1.686 53.606 52.037 -0.195 0.000 0.656 225 A CB -0.828 18.111 19.000 -0.102 0.000 0.800 225 A HN 0.810 nan 8.150 nan 0.000 0.453 226 S N -3.555 111.974 115.700 -0.286 0.000 2.615 226 S HA 0.585 5.055 4.470 -0.000 0.000 0.268 226 S C -1.476 172.849 174.600 -0.459 0.000 1.146 226 S CA -0.859 57.159 58.200 -0.305 0.000 0.818 226 S CB 0.443 63.504 63.200 -0.231 0.000 1.111 226 S HN 0.189 nan 8.310 nan 0.000 0.465 227 Y N 1.160 121.380 120.300 -0.133 0.000 2.341 227 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 227 Y C 0.451 176.271 175.900 -0.134 0.000 0.965 227 Y CA -0.757 57.262 58.100 -0.135 0.000 1.108 227 Y CB 1.690 40.018 38.460 -0.221 0.000 1.180 227 Y HN 0.537 nan 8.280 nan 0.000 0.458 228 K N 3.180 123.621 120.400 0.068 0.000 2.118 228 K HA 0.677 4.997 4.320 -0.000 0.000 0.267 228 K C -0.424 176.209 176.600 0.055 0.000 0.991 228 K CA -0.703 55.595 56.287 0.020 0.000 0.916 228 K CB 1.888 34.391 32.500 0.004 0.000 1.041 228 K HN 0.522 nan 8.250 nan 0.000 0.455 229 V N -1.624 118.308 119.914 0.029 0.000 3.126 229 V HA 0.390 4.510 4.120 -0.000 0.000 0.314 229 V C -0.207 175.892 176.094 0.008 0.000 1.138 229 V CA -1.214 61.108 62.300 0.037 0.000 1.034 229 V CB 1.652 33.506 31.823 0.052 0.000 1.075 229 V HN 0.632 nan 8.190 nan 0.000 0.442 230 E N 1.802 122.000 120.200 -0.003 0.000 2.608 230 E HA 0.356 4.706 4.350 -0.000 0.000 0.259 230 E C 0.537 177.136 176.600 -0.002 0.000 0.951 230 E CA 1.055 57.451 56.400 -0.007 0.000 0.945 230 E CB 0.432 30.122 29.700 -0.017 0.000 0.916 230 E HN 1.247 nan 8.360 nan 0.000 0.477 231 A N 3.531 126.351 122.820 0.000 0.000 2.567 231 A HA 0.392 4.712 4.320 -0.000 0.000 0.240 231 A C 1.394 178.983 177.584 0.008 0.000 1.053 231 A CA 0.746 52.785 52.037 0.005 0.000 0.755 231 A CB -0.533 18.470 19.000 0.005 0.000 0.978 231 A HN 1.147 nan 8.150 nan 0.000 0.507 232 G N 1.748 110.557 108.800 0.015 0.000 2.176 232 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 232 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 232 G C 1.227 176.139 174.900 0.019 0.000 0.979 232 G CA 0.866 45.978 45.100 0.020 0.000 0.641 232 G HN 1.002 nan 8.290 nan 0.000 0.530 233 S N -0.064 115.644 115.700 0.014 0.000 2.345 233 S HA 0.308 4.778 4.470 -0.000 0.000 0.220 233 S C 2.028 176.641 174.600 0.021 0.000 1.031 233 S CA 1.815 60.022 58.200 0.011 0.000 0.996 233 S CB -0.438 62.764 63.200 0.004 0.000 0.882 233 S HN 2.331 nan 8.310 nan 0.000 0.445 234 G N 2.480 111.298 108.800 0.031 0.000 2.417 234 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.291 234 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.291 234 G C -2.963 171.962 174.900 0.042 0.000 1.094 234 G CA -0.727 44.405 45.100 0.053 0.000 1.146 234 G HN 0.328 nan 8.290 nan 0.000 0.519 235 P HA 0.081 nan 4.420 nan 0.000 0.256 235 P C 0.897 178.208 177.300 0.018 0.000 1.173 235 P CA 0.483 63.590 63.100 0.012 0.000 0.768 235 P CB 0.723 32.419 31.700 -0.006 0.000 0.758 236 R N 3.582 124.052 120.500 -0.050 0.000 1.864 236 R HA 0.195 4.535 4.340 -0.000 0.000 0.174 236 R C 0.254 176.545 176.300 -0.015 0.000 1.773 236 R CA 0.040 56.031 56.100 -0.182 0.000 1.381 236 R CB 0.221 30.270 30.300 -0.418 0.000 1.066 236 R HN 0.542 nan 8.270 nan 0.000 0.482 237 H N -0.412 118.556 119.070 -0.169 0.000 2.533 237 H HA 0.397 4.953 4.556 0.000 0.000 0.343 237 H C -1.294 173.946 175.328 -0.146 0.000 1.160 237 H CA -1.022 54.925 56.048 -0.169 0.000 1.218 237 H CB 2.226 31.924 29.762 -0.106 0.000 1.566 237 H HN 0.071 nan 8.280 nan 0.000 0.522 238 L N 1.508 122.681 121.223 -0.084 0.000 2.386 238 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 238 L C -0.517 176.254 176.870 -0.164 0.000 0.993 238 L CA -0.159 54.589 54.840 -0.154 0.000 0.819 238 L CB 2.311 44.224 42.059 -0.243 0.000 1.294 238 L HN 0.628 nan 8.230 nan 0.000 0.414 239 T N 2.939 117.386 114.554 -0.178 0.000 2.883 239 T HA 0.682 5.032 4.350 -0.000 0.000 0.296 239 T C -1.337 173.247 174.700 -0.193 0.000 1.117 239 T CA -0.292 61.761 62.100 -0.078 0.000 1.006 239 T CB 0.674 69.557 68.868 0.025 0.000 1.191 239 T HN 0.277 nan 8.240 nan 0.000 0.508 240 F N 1.614 121.650 119.950 0.144 0.000 2.492 240 F HA 0.735 5.262 4.527 0.000 0.000 0.327 240 F C 0.828 176.772 175.800 0.240 0.000 1.079 240 F CA -0.883 57.212 58.000 0.159 0.000 0.967 240 F CB 1.548 40.589 39.000 0.069 0.000 1.169 240 F HN 0.726 nan 8.300 nan 0.000 0.472 241 A N 3.448 126.568 122.820 0.500 0.000 2.386 241 A HA 0.352 4.672 4.320 -0.000 0.000 0.248 241 A C -1.787 175.996 177.584 0.332 0.000 1.082 241 A CA -1.070 51.222 52.037 0.425 0.000 0.789 241 A CB -0.041 19.268 19.000 0.516 0.000 1.025 241 A HN 0.638 nan 8.150 nan 0.000 0.490 242 P HA -0.192 nan 4.420 nan 0.000 0.218 242 P C 1.036 178.450 177.300 0.190 0.000 1.148 242 P CA 1.768 64.989 63.100 0.203 0.000 0.822 242 P CB -0.147 31.654 31.700 0.169 0.000 0.784 243 N N -1.322 117.507 118.700 0.215 0.000 2.520 243 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 243 N C 1.365 176.989 175.510 0.190 0.000 1.068 243 N CA 0.880 54.048 53.050 0.196 0.000 0.911 243 N CB -0.735 37.888 38.487 0.227 0.000 0.961 243 N HN 0.100 nan 8.380 nan 0.000 0.446 244 G N 0.028 108.967 108.800 0.231 0.000 2.189 244 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 244 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 244 G C 0.739 175.786 174.900 0.246 0.000 0.975 244 G CA 0.612 45.843 45.100 0.219 0.000 0.644 244 G HN 0.470 nan 8.290 nan 0.000 0.537 245 S N -1.006 114.795 115.700 0.169 0.000 2.540 245 S HA 0.506 4.976 4.470 -0.000 0.000 0.218 245 S C -0.077 174.290 174.600 -0.389 0.000 0.977 245 S CA 0.116 58.255 58.200 -0.101 0.000 0.918 245 S CB 0.293 63.334 63.200 -0.264 0.000 0.806 245 S HN 0.528 nan 8.310 nan 0.000 0.496 246 Y N 0.125 120.563 120.300 0.231 0.000 2.588 246 Y HA 0.703 5.253 4.550 0.000 0.000 0.343 246 Y C -0.270 175.616 175.900 -0.025 0.000 1.065 246 Y CA -1.340 56.790 58.100 0.050 0.000 1.038 246 Y CB 1.450 39.897 38.460 -0.023 0.000 1.297 246 Y HN -0.019 nan 8.280 nan 0.000 0.467 247 A N 1.181 123.868 122.820 -0.222 0.000 2.475 247 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 247 A C -2.345 174.877 177.584 -0.604 0.000 1.059 247 A CA -0.747 51.027 52.037 -0.439 0.000 0.710 247 A CB 1.067 19.677 19.000 -0.650 0.000 1.288 247 A HN 0.653 nan 8.150 nan 0.000 0.408 248 Y N 0.429 120.676 120.300 -0.088 0.000 2.406 248 Y HA 0.606 5.156 4.550 0.000 0.000 0.340 248 Y C -0.476 175.391 175.900 -0.055 0.000 0.975 248 Y CA -0.729 57.348 58.100 -0.038 0.000 1.056 248 Y CB 2.215 40.630 38.460 -0.075 0.000 1.210 248 Y HN 0.668 nan 8.280 nan 0.000 0.448 249 L N 4.705 126.003 121.223 0.125 0.000 2.329 249 L HA 0.699 5.039 4.340 -0.000 0.000 0.279 249 L C -1.388 175.501 176.870 0.032 0.000 1.014 249 L CA -0.789 54.093 54.840 0.070 0.000 0.814 249 L CB 1.272 43.418 42.059 0.146 0.000 1.257 249 L HN 0.640 nan 8.230 nan 0.000 0.424 250 I N 4.253 124.834 120.570 0.019 0.000 2.354 250 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 250 I C -0.743 175.364 176.117 -0.017 0.000 0.989 250 I CA -0.128 61.176 61.300 0.007 0.000 1.188 250 I CB 0.990 39.003 38.000 0.022 0.000 1.342 250 I HN 0.718 nan 8.210 nan 0.000 0.457 251 N N 6.068 124.761 118.700 -0.012 0.000 2.422 251 N HA 0.196 4.936 4.740 -0.000 0.000 0.266 251 N C 0.615 176.115 175.510 -0.016 0.000 1.007 251 N CA -0.399 52.643 53.050 -0.013 0.000 0.941 251 N CB 1.278 39.763 38.487 -0.004 0.000 1.115 251 N HN 0.704 nan 8.380 nan 0.000 0.492 252 E N 2.841 123.024 120.200 -0.029 0.000 2.072 252 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 252 E C 0.953 177.556 176.600 0.004 0.000 0.985 252 E CA 1.075 57.459 56.400 -0.027 0.000 0.801 252 E CB 0.203 29.883 29.700 -0.034 0.000 0.750 252 E HN 0.578 nan 8.360 nan 0.000 0.452 253 L N 0.328 121.563 121.223 0.021 0.000 2.049 253 L HA -0.082 4.258 4.340 -0.000 0.000 0.203 253 L C 2.797 179.678 176.870 0.019 0.000 1.074 253 L CA 1.256 56.112 54.840 0.026 0.000 0.749 253 L CB -0.457 41.626 42.059 0.039 0.000 0.907 253 L HN 0.187 nan 8.230 nan 0.000 0.439 254 S N -0.390 115.319 115.700 0.015 0.000 2.461 254 S HA 0.038 4.508 4.470 -0.000 0.000 0.228 254 S C 1.642 176.251 174.600 0.014 0.000 1.005 254 S CA 0.511 58.718 58.200 0.011 0.000 0.942 254 S CB -0.016 63.187 63.200 0.005 0.000 0.776 254 S HN 0.562 nan 8.310 nan 0.000 0.514 255 G N 1.597 110.407 108.800 0.016 0.000 2.153 255 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 255 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 255 G C 0.181 175.104 174.900 0.038 0.000 0.994 255 G CA 0.605 45.723 45.100 0.030 0.000 0.698 255 G HN 1.210 nan 8.290 nan 0.000 0.521 256 T N -2.785 111.777 114.554 0.014 0.000 2.927 256 T HA 0.724 5.074 4.350 -0.000 0.000 0.281 256 T C -0.118 174.565 174.700 -0.028 0.000 0.998 256 T CA -0.557 61.541 62.100 -0.003 0.000 1.019 256 T CB 2.882 71.734 68.868 -0.027 0.000 1.061 256 T HN 0.729 nan 8.240 nan 0.000 0.518 257 V N 2.202 122.070 119.914 -0.077 0.000 2.448 257 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 257 V C -0.182 175.817 176.094 -0.160 0.000 1.025 257 V CA -0.875 61.355 62.300 -0.117 0.000 0.859 257 V CB 1.177 32.858 31.823 -0.237 0.000 0.988 257 V HN 0.818 nan 8.190 nan 0.000 0.431 258 I N 4.173 124.642 120.570 -0.167 0.000 2.377 258 I HA 0.677 4.847 4.170 -0.000 0.000 0.293 258 I C 0.441 176.295 176.117 -0.438 0.000 0.987 258 I CA -0.433 60.653 61.300 -0.357 0.000 1.185 258 I CB 1.772 39.492 38.000 -0.468 0.000 1.341 258 I HN 0.660 nan 8.210 nan 0.000 0.455 259 A N 6.877 129.410 122.820 -0.479 0.000 2.305 259 A HA 0.822 5.142 4.320 -0.000 0.000 0.322 259 A C -1.066 176.126 177.584 -0.654 0.000 1.187 259 A CA -0.202 51.571 52.037 -0.440 0.000 0.825 259 A CB 0.383 19.294 19.000 -0.148 0.000 1.164 259 A HN 0.551 nan 8.150 nan 0.000 0.498 260 F N 0.244 119.958 119.950 -0.394 0.000 2.563 260 F HA 0.423 4.950 4.527 0.000 0.000 0.316 260 F C 0.495 176.218 175.800 -0.129 0.000 1.076 260 F CA -0.416 57.427 58.000 -0.261 0.000 0.921 260 F CB 2.085 40.888 39.000 -0.328 0.000 1.209 260 F HN 0.598 nan 8.300 nan 0.000 0.462 261 E N 1.143 121.409 120.200 0.111 0.000 2.266 261 E HA 0.238 4.588 4.350 -0.000 0.000 0.277 261 E C -1.745 174.825 176.600 -0.050 0.000 1.018 261 E CA -0.669 55.699 56.400 -0.053 0.000 0.840 261 E CB 1.827 31.466 29.700 -0.102 0.000 1.082 261 E HN 0.518 nan 8.360 nan 0.000 0.395 262 Y N 2.799 122.975 120.300 -0.206 0.000 2.409 262 Y HA 0.456 5.006 4.550 -0.000 0.000 0.343 262 Y C -1.311 174.537 175.900 -0.087 0.000 0.973 262 Y CA -0.902 57.143 58.100 -0.092 0.000 1.064 262 Y CB 1.527 40.043 38.460 0.093 0.000 1.207 262 Y HN 0.540 nan 8.280 nan 0.000 0.452 263 N N 4.114 122.111 118.700 -1.173 0.000 2.600 263 N HA 0.192 4.932 4.740 -0.000 0.000 0.272 263 N C -1.952 173.086 175.510 -0.787 0.000 1.095 263 N CA -0.316 52.212 53.050 -0.869 0.000 0.993 263 N CB 1.054 39.304 38.487 -0.396 0.000 1.603 263 N HN 0.746 nan 8.380 nan 0.000 0.526 264 D N 3.736 123.788 120.400 -0.580 0.000 2.886 264 D HA -0.146 4.494 4.640 -0.000 0.000 0.221 264 D C 1.038 177.135 176.300 -0.338 0.000 1.227 264 D CA 2.589 56.496 54.000 -0.155 0.000 0.746 264 D CB -1.035 39.745 40.800 -0.034 0.000 0.935 264 D HN 1.105 nan 8.370 nan 0.000 0.399 265 G N 1.360 109.868 108.800 -0.486 0.000 2.184 265 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.264 265 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.264 265 G C 0.158 175.041 174.900 -0.029 0.000 0.975 265 G CA 0.526 45.122 45.100 -0.840 0.000 0.642 265 G HN 0.754 nan 8.290 nan 0.000 0.536 266 E N 0.009 120.136 120.200 -0.122 0.000 2.158 266 E HA 0.643 4.993 4.350 -0.000 0.000 0.271 266 E C -0.210 176.224 176.600 -0.277 0.000 0.911 266 E CA -0.902 55.436 56.400 -0.103 0.000 0.767 266 E CB 0.672 30.295 29.700 -0.128 0.000 1.120 266 E HN 0.255 nan 8.360 nan 0.000 0.405 267 L N 4.820 125.593 121.223 -0.750 0.000 2.305 267 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 267 L C -0.280 176.276 176.870 -0.524 0.000 1.013 267 L CA -0.641 53.760 54.840 -0.731 0.000 0.819 267 L CB 1.487 42.755 42.059 -1.318 0.000 1.227 267 L HN 0.431 nan 8.230 nan 0.000 0.417 268 K N 4.101 124.428 120.400 -0.123 0.000 2.483 268 K HA 0.314 4.634 4.320 -0.000 0.000 0.256 268 K C -0.508 176.137 176.600 0.076 0.000 0.961 268 K CA -0.576 55.695 56.287 -0.027 0.000 0.873 268 K CB 1.203 33.664 32.500 -0.065 0.000 1.107 268 K HN 0.513 nan 8.250 nan 0.000 0.432 269 E N 3.954 124.179 120.200 0.041 0.000 2.452 269 E HA -0.043 4.307 4.350 -0.000 0.000 0.261 269 E C 0.802 177.289 176.600 -0.188 0.000 0.987 269 E CA 0.351 56.600 56.400 -0.252 0.000 0.926 269 E CB 0.544 30.082 29.700 -0.269 0.000 0.934 269 E HN 0.647 nan 8.360 nan 0.000 0.452 270 I N -0.375 120.052 120.570 -0.238 0.000 4.403 270 I HA 0.237 4.407 4.170 -0.000 0.000 0.331 270 I C 0.241 176.263 176.117 -0.158 0.000 1.327 270 I CA -0.264 60.952 61.300 -0.140 0.000 1.175 270 I CB 0.664 38.626 38.000 -0.065 0.000 1.165 270 I HN 0.358 nan 8.210 nan 0.000 0.413 271 Q N 0.916 120.580 119.800 -0.227 0.000 2.666 271 Q HA 0.366 4.706 4.340 -0.000 0.000 0.276 271 Q C -1.724 174.139 176.000 -0.227 0.000 0.952 271 Q CA -0.437 55.253 55.803 -0.188 0.000 0.850 271 Q CB 2.365 31.018 28.738 -0.142 0.000 1.512 271 Q HN 0.182 nan 8.270 nan 0.000 0.395 272 T N 3.188 117.640 114.554 -0.169 0.000 2.881 272 T HA 0.731 5.081 4.350 -0.000 0.000 0.290 272 T C -1.097 173.538 174.700 -0.109 0.000 1.000 272 T CA -0.456 61.550 62.100 -0.157 0.000 0.978 272 T CB 0.958 69.748 68.868 -0.131 0.000 0.997 272 T HN 0.512 nan 8.240 nan 0.000 0.443 273 I N 1.746 122.250 120.570 -0.109 0.000 2.827 273 I HA 0.714 4.884 4.170 -0.000 0.000 0.298 273 I C -0.922 175.196 176.117 0.002 0.000 1.235 273 I CA -1.089 60.181 61.300 -0.049 0.000 1.021 273 I CB 1.621 39.580 38.000 -0.069 0.000 1.259 273 I HN 0.747 nan 8.210 nan 0.000 0.427 274 A N 4.744 127.611 122.820 0.078 0.000 2.409 274 A HA 0.652 4.972 4.320 -0.000 0.000 0.262 274 A C 0.563 178.292 177.584 0.241 0.000 1.113 274 A CA 0.444 52.547 52.037 0.109 0.000 0.790 274 A CB 1.002 20.046 19.000 0.073 0.000 1.046 274 A HN 0.991 nan 8.150 nan 0.000 0.496 275 A N 2.017 124.977 122.820 0.232 0.000 1.920 275 A HA 0.256 4.576 4.320 -0.000 0.000 0.209 275 A C 0.779 178.504 177.584 0.236 0.000 1.229 275 A CA 1.070 53.310 52.037 0.339 0.000 0.671 275 A CB -0.208 18.961 19.000 0.282 0.000 0.886 275 A HN 0.781 nan 8.150 nan 0.000 0.461 276 D N -0.135 120.354 120.400 0.149 0.000 2.274 276 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 276 D C 0.835 177.162 176.300 0.046 0.000 1.104 276 D CA 0.567 54.627 54.000 0.100 0.000 0.840 276 D CB 1.250 42.092 40.800 0.070 0.000 1.100 276 D HN 0.151 nan 8.370 nan 0.000 0.477 277 T N -0.018 114.534 114.554 -0.004 0.000 3.054 277 T HA 0.073 4.423 4.350 -0.000 0.000 0.255 277 T C 1.213 175.889 174.700 -0.041 0.000 1.035 277 T CA 0.368 62.451 62.100 -0.029 0.000 0.941 277 T CB -0.179 68.650 68.868 -0.065 0.000 1.026 277 T HN 0.257 nan 8.240 nan 0.000 0.533 278 V N -1.846 118.044 119.914 -0.040 0.000 3.376 278 V HA 0.658 4.778 4.120 -0.000 0.000 0.313 278 V C 1.387 177.471 176.094 -0.016 0.000 1.393 278 V CA -0.324 61.955 62.300 -0.036 0.000 1.125 278 V CB -0.998 30.796 31.823 -0.048 0.000 1.037 278 V HN 0.552 nan 8.190 nan 0.000 0.440 279 G N 0.951 109.747 108.800 -0.006 0.000 2.371 279 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.299 279 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.299 279 G C 0.817 175.719 174.900 0.004 0.000 1.014 279 G CA 0.609 45.710 45.100 0.002 0.000 1.097 279 G HN 1.400 nan 8.290 nan 0.000 0.512 280 A N 0.100 122.924 122.820 0.007 0.000 2.132 280 A HA 0.431 4.751 4.320 -0.000 0.000 0.213 280 A C 1.694 179.283 177.584 0.009 0.000 1.154 280 A CA 1.490 53.532 52.037 0.008 0.000 0.753 280 A CB -0.142 18.863 19.000 0.008 0.000 0.826 280 A HN 1.214 nan 8.150 nan 0.000 0.469 281 K N -1.548 118.859 120.400 0.011 0.000 3.148 281 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 281 K C 0.482 177.086 176.600 0.007 0.000 0.996 281 K CA 0.471 56.766 56.287 0.013 0.000 0.737 281 K CB -2.098 30.413 32.500 0.019 0.000 1.308 281 K HN 0.675 nan 8.250 nan 0.000 0.470 282 G N 0.112 108.908 108.800 -0.006 0.000 4.773 282 G HA2 0.171 4.131 3.960 -0.000 0.000 0.269 282 G HA3 0.171 4.131 3.960 -0.000 0.000 0.269 282 G C -0.143 174.725 174.900 -0.052 0.000 0.992 282 G CA -0.306 44.774 45.100 -0.033 0.000 0.775 282 G HN 0.146 nan 8.290 nan 0.000 0.471 283 S N -0.590 115.093 115.700 -0.029 0.000 2.584 283 S HA 0.551 5.021 4.470 -0.000 0.000 0.270 283 S C 1.266 175.824 174.600 -0.070 0.000 1.346 283 S CA 0.538 58.723 58.200 -0.025 0.000 1.018 283 S CB 1.648 64.849 63.200 0.002 0.000 0.899 283 S HN 0.554 nan 8.310 nan 0.000 0.542 284 G N 0.839 109.611 108.800 -0.046 0.000 2.449 284 G HA2 0.247 4.207 3.960 -0.000 0.000 0.192 284 G HA3 0.247 4.207 3.960 -0.000 0.000 0.192 284 G C -0.509 174.319 174.900 -0.121 0.000 1.776 284 G CA 0.007 45.048 45.100 -0.099 0.000 0.699 284 G HN 0.592 nan 8.290 nan 0.000 0.745 285 D N -0.514 119.953 120.400 0.111 0.000 2.385 285 D HA 0.678 5.318 4.640 -0.000 0.000 0.254 285 D C -0.911 175.525 176.300 0.227 0.000 1.053 285 D CA -0.489 53.608 54.000 0.161 0.000 0.992 285 D CB 1.952 42.864 40.800 0.187 0.000 1.145 285 D HN 0.171 nan 8.370 nan 0.000 0.523 286 I N 1.186 121.719 120.570 -0.061 0.000 2.649 286 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 286 I C -1.809 174.071 176.117 -0.396 0.000 1.222 286 I CA -0.445 60.858 61.300 0.004 0.000 1.046 286 I CB 1.131 39.156 38.000 0.042 0.000 1.272 286 I HN 0.401 nan 8.210 nan 0.000 0.425 287 H N 6.921 126.106 119.070 0.191 0.000 2.930 287 H HA 0.564 5.120 4.556 -0.000 0.000 0.371 287 H C -1.188 174.323 175.328 0.305 0.000 1.169 287 H CA -0.530 55.611 56.048 0.154 0.000 1.157 287 H CB 2.799 32.554 29.762 -0.011 0.000 1.789 287 H HN 0.416 nan 8.280 nan 0.000 0.547 288 I N 1.638 122.420 120.570 0.353 0.000 2.493 288 I HA 0.128 4.298 4.170 -0.000 0.000 0.298 288 I C 0.639 176.955 176.117 0.331 0.000 0.998 288 I CA -0.722 60.751 61.300 0.288 0.000 1.137 288 I CB 1.819 39.914 38.000 0.157 0.000 1.310 288 I HN 0.530 nan 8.210 nan 0.000 0.445 289 S N 4.640 120.561 115.700 0.370 0.000 2.572 289 S HA 0.155 4.625 4.470 -0.000 0.000 0.279 289 S C -1.926 172.809 174.600 0.226 0.000 1.341 289 S CA -0.908 57.486 58.200 0.323 0.000 1.043 289 S CB 0.575 64.010 63.200 0.393 0.000 0.887 289 S HN 0.423 nan 8.310 nan 0.000 0.516 290 P HA -0.184 nan 4.420 nan 0.000 0.217 290 P C 0.785 178.165 177.300 0.135 0.000 1.151 290 P CA 1.688 64.877 63.100 0.148 0.000 0.849 290 P CB -0.169 31.603 31.700 0.119 0.000 0.787 291 D N -2.170 118.312 120.400 0.136 0.000 2.349 291 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 291 D C 1.399 177.758 176.300 0.099 0.000 1.029 291 D CA 0.734 54.800 54.000 0.111 0.000 0.879 291 D CB -1.234 39.632 40.800 0.109 0.000 0.906 291 D HN 0.208 nan 8.370 nan 0.000 0.528 292 G N 0.658 109.529 108.800 0.119 0.000 2.166 292 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.260 292 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.260 292 G C 0.993 175.894 174.900 0.001 0.000 0.986 292 G CA 0.681 45.834 45.100 0.089 0.000 0.683 292 G HN 0.481 nan 8.290 nan 0.000 0.527 293 K N -1.490 118.897 120.400 -0.022 0.000 2.356 293 K HA 0.349 4.669 4.320 -0.000 0.000 0.195 293 K C 0.067 176.304 176.600 -0.605 0.000 1.037 293 K CA 0.476 56.597 56.287 -0.277 0.000 1.014 293 K CB 0.399 32.751 32.500 -0.247 0.000 0.815 293 K HN 0.362 nan 8.250 nan 0.000 0.507 294 F N 0.280 120.220 119.950 -0.017 0.000 2.588 294 F HA 0.423 4.950 4.527 0.000 0.000 0.310 294 F C -0.687 175.024 175.800 -0.149 0.000 1.082 294 F CA -1.072 56.856 58.000 -0.120 0.000 0.929 294 F CB 1.649 40.563 39.000 -0.143 0.000 1.254 294 F HN -0.274 nan 8.300 nan 0.000 0.455 295 L N 2.753 123.927 121.223 -0.081 0.000 2.362 295 L HA 0.677 5.017 4.340 -0.000 0.000 0.271 295 L C -1.847 174.952 176.870 -0.118 0.000 1.002 295 L CA -0.527 54.279 54.840 -0.055 0.000 0.818 295 L CB 1.671 43.608 42.059 -0.203 0.000 1.298 295 L HN 0.597 nan 8.230 nan 0.000 0.420 296 Y N 3.164 123.641 120.300 0.296 0.000 2.462 296 Y HA 0.804 5.354 4.550 -0.000 0.000 0.346 296 Y C -0.059 176.076 175.900 0.392 0.000 0.976 296 Y CA -0.720 57.544 58.100 0.273 0.000 1.044 296 Y CB 2.299 40.873 38.460 0.191 0.000 1.230 296 Y HN 0.629 nan 8.280 nan 0.000 0.455 297 A N 1.515 124.565 122.820 0.383 0.000 2.427 297 A HA 0.715 5.035 4.320 -0.000 0.000 0.298 297 A C -0.771 176.904 177.584 0.151 0.000 1.036 297 A CA -0.756 51.487 52.037 0.344 0.000 0.701 297 A CB 1.015 20.182 19.000 0.278 0.000 1.250 297 A HN 0.715 nan 8.150 nan 0.000 0.412 298 S N 1.801 117.620 115.700 0.198 0.000 2.617 298 S HA 0.701 5.171 4.470 -0.000 0.000 0.283 298 S C -0.333 174.290 174.600 0.038 0.000 1.189 298 S CA -0.659 57.559 58.200 0.031 0.000 1.036 298 S CB 0.902 64.159 63.200 0.096 0.000 1.014 298 S HN 0.718 nan 8.310 nan 0.000 0.522 299 N N 0.127 118.826 118.700 -0.001 0.000 2.229 299 N HA 0.662 5.402 4.740 -0.000 0.000 0.298 299 N C -0.973 174.520 175.510 -0.027 0.000 1.114 299 N CA -0.985 52.075 53.050 0.017 0.000 0.776 299 N CB 1.774 40.317 38.487 0.094 0.000 1.501 299 N HN 0.552 nan 8.380 nan 0.000 0.474 300 R N 0.831 121.289 120.500 -0.071 0.000 2.950 300 R HA 0.615 4.955 4.340 -0.000 0.000 0.253 300 R C 0.341 176.601 176.300 -0.066 0.000 1.168 300 R CA -0.846 55.172 56.100 -0.137 0.000 1.014 300 R CB 1.017 31.075 30.300 -0.403 0.000 1.228 300 R HN 0.527 nan 8.270 nan 0.000 0.487 301 L N -2.435 118.763 121.223 -0.042 0.000 3.015 301 L HA -0.373 3.967 4.340 -0.000 0.000 0.389 301 L C 0.171 177.054 176.870 0.020 0.000 0.737 301 L CA 1.620 56.466 54.840 0.011 0.000 3.213 301 L CB -1.029 41.032 42.059 0.004 0.000 0.600 301 L HN 0.637 nan 8.230 nan 0.000 0.774 302 K N -0.339 120.070 120.400 0.016 0.000 2.542 302 K HA 0.604 4.924 4.320 -0.000 0.000 0.259 302 K C 0.033 176.650 176.600 0.027 0.000 0.932 302 K CA 0.132 56.429 56.287 0.018 0.000 0.820 302 K CB 2.037 34.541 32.500 0.007 0.000 1.345 302 K HN 0.587 nan 8.250 nan 0.000 0.432 303 A N 2.261 125.098 122.820 0.029 0.000 2.745 303 A HA -0.182 4.138 4.320 -0.000 0.000 0.296 303 A C -0.845 176.816 177.584 0.128 0.000 1.500 303 A CA 1.248 53.315 52.037 0.051 0.000 0.766 303 A CB -2.180 16.808 19.000 -0.020 0.000 1.030 303 A HN 0.883 nan 8.150 nan 0.000 0.489 304 D N -0.541 119.908 120.400 0.082 0.000 2.586 304 D HA 0.424 5.064 4.640 -0.000 0.000 0.234 304 D C 0.986 177.320 176.300 0.057 0.000 1.132 304 D CA 2.182 56.218 54.000 0.060 0.000 0.860 304 D CB 0.397 41.223 40.800 0.043 0.000 1.159 304 D HN 1.331 nan 8.370 nan 0.000 0.490 305 G N 0.442 109.230 108.800 -0.020 0.000 2.344 305 G HA2 0.374 4.334 3.960 -0.000 0.000 0.282 305 G HA3 0.374 4.334 3.960 -0.000 0.000 0.282 305 G C -2.037 172.623 174.900 -0.401 0.000 1.281 305 G CA -0.980 43.997 45.100 -0.205 0.000 0.877 305 G HN 0.304 nan 8.290 nan 0.000 0.494 306 L N 0.728 121.547 121.223 -0.674 0.000 2.365 306 L HA 0.822 5.162 4.340 -0.000 0.000 0.273 306 L C 0.690 177.064 176.870 -0.827 0.000 1.000 306 L CA -0.540 53.927 54.840 -0.622 0.000 0.819 306 L CB 1.728 43.438 42.059 -0.582 0.000 1.284 306 L HN 1.101 nan 8.230 nan 0.000 0.418 307 A N 4.431 126.969 122.820 -0.470 0.000 2.309 307 A HA 0.797 5.117 4.320 -0.000 0.000 0.298 307 A C -0.411 176.927 177.584 -0.409 0.000 1.165 307 A CA -0.294 51.505 52.037 -0.397 0.000 0.821 307 A CB 0.082 19.047 19.000 -0.057 0.000 1.102 307 A HN 0.628 nan 8.150 nan 0.000 0.500 308 I N 1.934 122.152 120.570 -0.586 0.000 2.404 308 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 308 I C -1.127 174.577 176.117 -0.689 0.000 0.992 308 I CA -0.183 60.787 61.300 -0.550 0.000 1.149 308 I CB 1.404 39.180 38.000 -0.373 0.000 1.315 308 I HN 0.560 nan 8.210 nan 0.000 0.446 309 F N 2.602 122.441 119.950 -0.185 0.000 2.576 309 F HA 0.468 4.995 4.527 0.000 0.000 0.313 309 F C 0.305 176.098 175.800 -0.012 0.000 1.078 309 F CA -0.843 57.109 58.000 -0.080 0.000 0.921 309 F CB 2.137 41.064 39.000 -0.122 0.000 1.232 309 F HN 0.376 nan 8.300 nan 0.000 0.459 310 S N 1.809 117.586 115.700 0.128 0.000 2.541 310 S HA 0.743 5.213 4.470 -0.000 0.000 0.283 310 S C -0.728 173.749 174.600 -0.206 0.000 1.196 310 S CA -0.702 57.357 58.200 -0.236 0.000 1.062 310 S CB 0.970 64.030 63.200 -0.234 0.000 1.009 310 S HN 0.510 nan 8.310 nan 0.000 0.502 311 I N 3.482 123.851 120.570 -0.334 0.000 2.315 311 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 311 I C 0.768 176.779 176.117 -0.176 0.000 1.006 311 I CA -0.642 60.524 61.300 -0.224 0.000 1.265 311 I CB 0.715 38.575 38.000 -0.233 0.000 1.387 311 I HN 0.732 nan 8.210 nan 0.000 0.475 312 H N 9.371 128.337 119.070 -0.175 0.000 3.004 312 H HA 0.067 4.623 4.556 -0.000 0.000 0.316 312 H C -1.560 173.692 175.328 -0.127 0.000 1.014 312 H CA -1.189 54.777 56.048 -0.137 0.000 1.454 312 H CB 1.449 31.144 29.762 -0.111 0.000 1.472 312 H HN 0.410 nan 8.280 nan 0.000 0.571 313 P HA -0.091 nan 4.420 nan 0.000 0.225 313 P C 0.337 177.716 177.300 0.132 0.000 1.148 313 P CA 1.147 64.232 63.100 -0.025 0.000 0.779 313 P CB 0.527 32.162 31.700 -0.109 0.000 0.780 314 E N -0.058 120.358 120.200 0.360 0.000 2.256 314 E HA -0.010 4.340 4.350 -0.000 0.000 0.198 314 E C 1.119 177.815 176.600 0.161 0.000 0.908 314 E CA 0.565 57.114 56.400 0.250 0.000 0.915 314 E CB -0.191 29.656 29.700 0.245 0.000 0.890 314 E HN 0.376 nan 8.360 nan 0.000 0.484 315 N N 0.267 118.987 118.700 0.034 0.000 2.184 315 N HA 0.151 4.891 4.740 -0.000 0.000 0.206 315 N C 0.604 175.939 175.510 -0.291 0.000 1.151 315 N CA 0.405 53.409 53.050 -0.077 0.000 0.878 315 N CB 1.015 39.366 38.487 -0.226 0.000 1.014 315 N HN 0.136 nan 8.380 nan 0.000 0.512 319 T N 1.165 115.810 114.554 0.153 0.000 2.881 319 T HA 0.272 4.622 4.350 -0.000 0.000 0.291 319 T C -0.582 174.257 174.700 0.232 0.000 0.990 319 T CA -0.614 61.585 62.100 0.165 0.000 0.976 319 T CB 2.122 71.038 68.868 0.080 0.000 0.970 319 T HN 0.443 nan 8.240 nan 0.000 0.438 320 K N 2.392 122.916 120.400 0.207 0.000 2.401 320 K HA 0.292 4.612 4.320 -0.000 0.000 0.278 320 K C 0.988 177.539 176.600 -0.081 0.000 1.018 320 K CA -0.112 56.122 56.287 -0.089 0.000 0.981 320 K CB 0.436 32.855 32.500 -0.135 0.000 0.933 320 K HN 0.483 nan 8.250 nan 0.000 0.477 321 V N 0.221 120.051 119.914 -0.140 0.000 3.497 321 V HA 0.463 4.583 4.120 -0.000 0.000 0.272 321 V C 0.432 176.471 176.094 -0.092 0.000 1.474 321 V CA 0.497 62.761 62.300 -0.059 0.000 1.025 321 V CB 0.386 32.229 31.823 0.033 0.000 0.820 321 V HN 0.793 nan 8.190 nan 0.000 0.437 322 G N -1.084 107.621 108.800 -0.158 0.000 2.495 322 G HA2 0.556 4.516 3.960 -0.000 0.000 0.294 322 G HA3 0.556 4.516 3.960 -0.000 0.000 0.294 322 G C -2.528 172.314 174.900 -0.098 0.000 1.397 322 G CA -0.575 44.460 45.100 -0.109 0.000 0.790 322 G HN 0.304 nan 8.290 nan 0.000 0.486 323 Y N -0.107 120.089 120.300 -0.174 0.000 2.442 323 Y HA 0.650 5.200 4.550 0.000 0.000 0.330 323 Y C -0.903 174.911 175.900 -0.143 0.000 1.100 323 Y CA -0.810 57.188 58.100 -0.169 0.000 1.034 323 Y CB 2.700 41.074 38.460 -0.144 0.000 1.285 323 Y HN 0.647 nan 8.280 nan 0.000 0.440 324 Q N 5.385 124.922 119.800 -0.440 0.000 2.327 324 Q HA 0.506 4.846 4.340 -0.000 0.000 0.270 324 Q C -1.948 173.890 176.000 -0.270 0.000 1.022 324 Q CA -0.412 55.217 55.803 -0.291 0.000 0.773 324 Q CB 1.233 29.718 28.738 -0.422 0.000 1.251 324 Q HN 0.798 nan 8.270 nan 0.000 0.457 325 L N 3.485 124.695 121.223 -0.023 0.000 2.380 325 L HA 0.471 4.811 4.340 -0.000 0.000 0.273 325 L C 0.674 177.542 176.870 -0.002 0.000 1.138 325 L CA -0.048 54.816 54.840 0.040 0.000 0.832 325 L CB 0.753 42.871 42.059 0.099 0.000 1.124 325 L HN 0.870 nan 8.230 nan 0.000 0.454 326 T N -0.417 114.139 114.554 0.003 0.000 2.718 326 T HA 0.609 4.958 4.350 -0.000 0.000 0.267 326 T C 0.365 175.116 174.700 0.084 0.000 0.957 326 T CA -0.364 61.778 62.100 0.071 0.000 1.025 326 T CB 1.128 69.999 68.868 0.006 0.000 1.355 326 T HN 0.563 nan 8.240 nan 0.000 0.572 327 G N 0.029 108.889 108.800 0.100 0.000 2.684 327 G HA2 0.461 4.421 3.960 -0.000 0.000 0.255 327 G HA3 0.461 4.421 3.960 -0.000 0.000 0.255 327 G C -0.011 174.934 174.900 0.075 0.000 1.219 327 G CA -0.806 44.339 45.100 0.075 0.000 0.901 327 G HN 0.704 nan 8.290 nan 0.000 0.548 328 I N 0.949 121.567 120.570 0.079 0.000 2.529 328 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 328 I C 0.868 177.092 176.117 0.178 0.000 1.082 328 I CA 0.217 61.580 61.300 0.105 0.000 1.406 328 I CB 0.153 38.211 38.000 0.097 0.000 1.405 328 I HN 0.711 nan 8.210 nan 0.000 0.548 329 H N 5.538 124.634 119.070 0.044 0.000 2.929 329 H HA -0.072 4.484 4.556 -0.000 0.000 0.341 329 H C -2.073 173.295 175.328 0.067 0.000 1.258 329 H CA -0.138 55.942 56.048 0.053 0.000 1.185 329 H CB -0.527 29.267 29.762 0.054 0.000 1.553 329 H HN 0.431 nan 8.280 nan 0.000 0.438 330 P HA 0.082 nan 4.420 nan 0.000 0.237 330 P C 1.000 178.374 177.300 0.123 0.000 1.788 330 P CA 0.056 63.215 63.100 0.098 0.000 1.061 330 P CB -0.442 31.276 31.700 0.029 0.000 1.967 331 R N 2.647 123.257 120.500 0.184 0.000 2.148 331 R HA -0.006 4.334 4.340 -0.000 0.000 0.227 331 R C 0.633 177.067 176.300 0.223 0.000 1.103 331 R CA 0.809 57.020 56.100 0.184 0.000 0.983 331 R CB 0.205 30.682 30.300 0.295 0.000 0.874 331 R HN 0.350 nan 8.270 nan 0.000 0.451 332 N N -0.985 117.865 118.700 0.249 0.000 2.396 332 N HA 0.177 4.917 4.740 -0.000 0.000 0.275 332 N C -1.565 174.128 175.510 0.305 0.000 1.218 332 N CA -0.498 52.705 53.050 0.255 0.000 0.812 332 N CB 1.679 40.261 38.487 0.158 0.000 1.592 332 N HN -0.016 nan 8.380 nan 0.000 0.480 333 F N 0.794 120.797 119.950 0.090 0.000 2.745 333 F HA 0.786 5.313 4.527 0.000 0.000 0.316 333 F C -1.655 174.020 175.800 -0.209 0.000 1.155 333 F CA -0.871 57.108 58.000 -0.036 0.000 0.937 333 F CB 1.239 40.233 39.000 -0.010 0.000 1.361 333 F HN 0.358 nan 8.300 nan 0.000 0.472 334 I N 1.149 121.642 120.570 -0.128 0.000 2.908 334 I HA 0.589 4.759 4.170 -0.000 0.000 0.300 334 I C -1.942 174.127 176.117 -0.079 0.000 1.385 334 I CA -0.908 60.159 61.300 -0.388 0.000 1.004 334 I CB 2.380 40.130 38.000 -0.415 0.000 1.309 334 I HN 0.687 nan 8.210 nan 0.000 0.449 335 I N 3.923 124.463 120.570 -0.050 0.000 2.474 335 I HA 0.334 4.504 4.170 -0.000 0.000 0.294 335 I C 0.189 176.412 176.117 0.177 0.000 1.005 335 I CA -0.621 60.727 61.300 0.080 0.000 1.113 335 I CB 2.190 40.233 38.000 0.072 0.000 1.289 335 I HN 0.588 nan 8.210 nan 0.000 0.436 336 T N 2.287 116.949 114.554 0.180 0.000 2.903 336 T HA 0.120 4.470 4.350 -0.000 0.000 0.314 336 T C -1.903 172.813 174.700 0.026 0.000 1.078 336 T CA -1.160 60.971 62.100 0.051 0.000 1.114 336 T CB 0.636 69.542 68.868 0.062 0.000 0.987 336 T HN 0.345 nan 8.240 nan 0.000 0.548 337 P HA -0.150 nan 4.420 nan 0.000 0.216 337 P C 1.330 178.644 177.300 0.024 0.000 1.150 337 P CA 1.139 64.241 63.100 0.004 0.000 0.843 337 P CB -0.124 31.555 31.700 -0.036 0.000 0.787 338 N N -1.054 117.652 118.700 0.010 0.000 2.521 338 N HA 0.020 4.760 4.740 -0.000 0.000 0.188 338 N C 1.251 176.774 175.510 0.021 0.000 1.146 338 N CA 0.978 54.038 53.050 0.017 0.000 0.893 338 N CB -1.331 37.162 38.487 0.010 0.000 0.975 338 N HN 0.178 nan 8.380 nan 0.000 0.451 339 G N 0.652 109.474 108.800 0.038 0.000 2.166 339 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.260 339 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.260 339 G C 0.796 175.687 174.900 -0.015 0.000 0.986 339 G CA 0.833 45.959 45.100 0.044 0.000 0.683 339 G HN 0.573 nan 8.290 nan 0.000 0.527 340 K N -1.306 119.049 120.400 -0.074 0.000 2.186 340 K HA 0.195 4.515 4.320 -0.000 0.000 0.202 340 K C 0.224 176.550 176.600 -0.456 0.000 1.052 340 K CA 0.634 56.748 56.287 -0.288 0.000 0.965 340 K CB 0.070 32.339 32.500 -0.386 0.000 0.746 340 K HN 0.409 nan 8.250 nan 0.000 0.457 341 Y N -0.216 120.126 120.300 0.069 0.000 2.536 341 Y HA 0.442 4.992 4.550 -0.000 0.000 0.347 341 Y C -0.852 175.077 175.900 0.049 0.000 1.000 341 Y CA -1.067 57.085 58.100 0.087 0.000 1.051 341 Y CB 1.785 40.357 38.460 0.185 0.000 1.259 341 Y HN -0.163 nan 8.280 nan 0.000 0.468 342 L N 3.767 125.122 121.223 0.221 0.000 2.372 342 L HA 0.613 4.953 4.340 -0.000 0.000 0.274 342 L C -1.985 174.973 176.870 0.147 0.000 0.988 342 L CA -0.766 54.128 54.840 0.090 0.000 0.833 342 L CB 0.730 42.718 42.059 -0.119 0.000 1.236 342 L HN 0.506 nan 8.230 nan 0.000 0.410 343 L N 5.928 127.197 121.223 0.077 0.000 2.295 343 L HA 0.581 4.921 4.340 -0.000 0.000 0.285 343 L C -0.396 176.515 176.870 0.069 0.000 1.035 343 L CA -0.424 54.427 54.840 0.018 0.000 0.806 343 L CB 1.777 43.727 42.059 -0.182 0.000 1.214 343 L HN 0.236 nan 8.230 nan 0.000 0.426 344 V N 2.276 122.250 119.914 0.100 0.000 2.409 344 V HA 0.693 4.813 4.120 -0.000 0.000 0.291 344 V C 0.203 176.340 176.094 0.071 0.000 1.020 344 V CA -0.944 61.429 62.300 0.122 0.000 0.848 344 V CB 1.577 33.472 31.823 0.120 0.000 0.990 344 V HN 0.849 nan 8.190 nan 0.000 0.430 345 A N 4.045 126.908 122.820 0.072 0.000 2.350 345 A HA 0.426 4.746 4.320 -0.000 0.000 0.293 345 A C 0.059 177.695 177.584 0.086 0.000 1.231 345 A CA -0.161 51.900 52.037 0.041 0.000 0.883 345 A CB -0.232 18.780 19.000 0.020 0.000 1.133 345 A HN 0.888 nan 8.150 nan 0.000 0.533 346 C N 3.977 123.318 119.300 0.069 0.000 2.176 346 C HA 0.328 4.788 4.460 -0.000 0.000 0.329 346 C C 1.913 176.957 174.990 0.089 0.000 1.113 346 C CA -0.550 58.526 59.018 0.096 0.000 1.562 346 C CB -0.684 27.102 27.740 0.076 0.000 2.040 346 C HN 1.171 nan 8.230 nan 0.000 0.460 347 R N 1.598 122.175 120.500 0.128 0.000 2.094 347 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 347 R C 1.157 177.472 176.300 0.025 0.000 1.137 347 R CA 2.074 58.218 56.100 0.072 0.000 0.943 347 R CB 0.072 30.396 30.300 0.040 0.000 0.850 347 R HN 0.653 nan 8.270 nan 0.000 0.433 348 D N -0.673 119.748 120.400 0.034 0.000 2.234 348 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 348 D C 1.549 177.866 176.300 0.029 0.000 0.962 348 D CA 0.979 54.989 54.000 0.017 0.000 0.855 348 D CB 0.106 40.931 40.800 0.042 0.000 0.951 348 D HN 0.132 nan 8.370 nan 0.000 0.500 349 S N 0.301 116.027 115.700 0.042 0.000 2.558 349 S HA -0.015 4.455 4.470 -0.000 0.000 0.217 349 S C 0.199 174.807 174.600 0.014 0.000 0.975 349 S CA -0.205 58.013 58.200 0.029 0.000 0.912 349 S CB 0.019 63.240 63.200 0.035 0.000 0.776 349 S HN 0.176 nan 8.310 nan 0.000 0.526 350 N N 1.088 119.797 118.700 0.015 0.000 2.738 350 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 350 N C -0.663 174.838 175.510 -0.014 0.000 1.047 350 N CA 1.066 54.117 53.050 0.002 0.000 0.707 350 N CB -1.786 36.700 38.487 -0.002 0.000 0.937 350 N HN 0.472 nan 8.380 nan 0.000 0.545 351 V N -3.516 116.390 119.914 -0.012 0.000 3.178 351 V HA 0.663 4.783 4.120 -0.000 0.000 0.302 351 V C -0.007 176.064 176.094 -0.039 0.000 1.262 351 V CA -1.112 61.167 62.300 -0.035 0.000 1.030 351 V CB 2.821 34.624 31.823 -0.033 0.000 1.074 351 V HN 0.027 nan 8.190 nan 0.000 0.438 352 I N 2.398 122.922 120.570 -0.077 0.000 2.354 352 I HA 0.426 4.596 4.170 -0.000 0.000 0.286 352 I C 0.079 176.144 176.117 -0.086 0.000 1.007 352 I CA -0.262 60.985 61.300 -0.088 0.000 1.167 352 I CB 1.582 39.481 38.000 -0.169 0.000 1.320 352 I HN 0.737 nan 8.210 nan 0.000 0.458 353 Q N 4.855 124.624 119.800 -0.052 0.000 2.259 353 Q HA 0.503 4.843 4.340 -0.000 0.000 0.246 353 Q C -0.908 175.008 176.000 -0.140 0.000 0.920 353 Q CA -0.656 55.069 55.803 -0.129 0.000 0.895 353 Q CB 2.620 31.278 28.738 -0.133 0.000 1.220 353 Q HN 0.399 nan 8.270 nan 0.000 0.439 354 V N 2.938 122.706 119.914 -0.243 0.000 2.384 354 V HA 0.328 4.448 4.120 -0.000 0.000 0.287 354 V C -1.177 174.787 176.094 -0.217 0.000 1.020 354 V CA -0.737 61.492 62.300 -0.118 0.000 0.850 354 V CB 0.319 32.113 31.823 -0.047 0.000 0.987 354 V HN 0.612 nan 8.190 nan 0.000 0.436 355 Y N 2.148 122.499 120.300 0.085 0.000 2.364 355 Y HA 0.477 5.027 4.550 -0.000 0.000 0.340 355 Y C 0.406 176.409 175.900 0.171 0.000 0.975 355 Y CA -0.697 57.448 58.100 0.076 0.000 1.089 355 Y CB 1.706 40.149 38.460 -0.029 0.000 1.192 355 Y HN 0.709 nan 8.280 nan 0.000 0.454 356 E N 3.646 124.015 120.200 0.282 0.000 2.313 356 E HA 0.321 4.671 4.350 -0.000 0.000 0.276 356 E C -0.764 175.845 176.600 0.014 0.000 1.031 356 E CA -0.609 55.861 56.400 0.117 0.000 0.857 356 E CB 0.726 30.467 29.700 0.068 0.000 1.040 356 E HN 0.578 nan 8.360 nan 0.000 0.408 357 R N 3.047 123.491 120.500 -0.092 0.000 2.368 357 R HA 0.159 4.499 4.340 -0.000 0.000 0.302 357 R C -0.633 175.609 176.300 -0.096 0.000 1.002 357 R CA -0.736 55.312 56.100 -0.088 0.000 0.929 357 R CB 0.964 31.213 30.300 -0.084 0.000 1.073 357 R HN 0.577 nan 8.270 nan 0.000 0.464 358 D N 1.891 122.232 120.400 -0.098 0.000 2.313 358 D HA -0.003 4.637 4.640 -0.000 0.000 0.239 358 D C 0.987 177.233 176.300 -0.091 0.000 1.142 358 D CA -0.107 53.842 54.000 -0.087 0.000 0.847 358 D CB 1.522 42.269 40.800 -0.087 0.000 1.082 358 D HN 0.641 nan 8.370 nan 0.000 0.480 359 T N 0.772 115.307 114.554 -0.032 0.000 2.929 359 T HA -0.138 4.212 4.350 -0.000 0.000 0.271 359 T C 0.924 175.698 174.700 0.123 0.000 1.085 359 T CA 0.947 63.071 62.100 0.039 0.000 1.125 359 T CB 0.194 69.088 68.868 0.044 0.000 0.874 359 T HN 0.345 nan 8.240 nan 0.000 0.494 360 D N 1.241 121.689 120.400 0.081 0.000 2.338 360 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 360 D C 2.336 178.757 176.300 0.202 0.000 0.997 360 D CA 1.616 55.707 54.000 0.152 0.000 0.880 360 D CB 0.129 40.977 40.800 0.080 0.000 0.980 360 D HN 0.689 nan 8.370 nan 0.000 0.509 361 T N -3.315 111.234 114.554 -0.009 0.000 3.015 361 T HA 0.323 4.673 4.350 -0.000 0.000 0.250 361 T C 1.772 176.072 174.700 -0.667 0.000 1.057 361 T CA 1.009 63.053 62.100 -0.094 0.000 1.066 361 T CB 0.934 69.751 68.868 -0.085 0.000 0.959 361 T HN 0.150 nan 8.240 nan 0.000 0.488 362 G N 1.607 109.805 108.800 -1.004 0.000 2.234 362 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 362 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 362 G C 0.064 174.686 174.900 -0.464 0.000 0.987 362 G CA 0.259 44.542 45.100 -1.361 0.000 0.625 362 G HN 0.652 nan 8.290 nan 0.000 0.532 363 L N 0.688 121.722 121.223 -0.316 0.000 2.473 363 L HA 0.515 4.855 4.340 -0.000 0.000 0.268 363 L C 1.070 177.879 176.870 -0.101 0.000 1.215 363 L CA -0.212 54.533 54.840 -0.159 0.000 0.823 363 L CB 0.461 42.449 42.059 -0.119 0.000 1.099 363 L HN 0.122 nan 8.230 nan 0.000 0.483 364 L N 0.985 122.157 121.223 -0.085 0.000 2.330 364 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 364 L C -0.426 176.484 176.870 0.066 0.000 1.013 364 L CA -0.510 54.304 54.840 -0.043 0.000 0.816 364 L CB 1.935 43.876 42.059 -0.198 0.000 1.287 364 L HN 0.523 nan 8.230 nan 0.000 0.435 365 T N -0.233 114.431 114.554 0.183 0.000 3.050 365 T HA 0.131 4.481 4.350 -0.000 0.000 0.310 365 T C -0.922 173.899 174.700 0.202 0.000 0.978 365 T CA -0.594 61.616 62.100 0.184 0.000 1.013 365 T CB 1.321 70.239 68.868 0.082 0.000 1.000 365 T HN 0.470 nan 8.240 nan 0.000 0.447 366 D N 2.796 123.279 120.400 0.138 0.000 2.450 366 D HA 0.024 4.664 4.640 -0.000 0.000 0.247 366 D C 1.250 177.478 176.300 -0.120 0.000 1.162 366 D CA -0.430 53.412 54.000 -0.264 0.000 0.879 366 D CB 0.614 41.229 40.800 -0.309 0.000 1.163 366 D HN 0.676 nan 8.370 nan 0.000 0.472 367 I N 0.248 120.742 120.570 -0.126 0.000 3.875 367 I HA 0.221 4.391 4.170 -0.000 0.000 0.329 367 I C 0.268 176.336 176.117 -0.082 0.000 1.295 367 I CA -0.519 60.752 61.300 -0.049 0.000 1.129 367 I CB -0.078 37.931 38.000 0.015 0.000 1.008 367 I HN 0.277 nan 8.210 nan 0.000 0.413 368 R N 1.941 122.366 120.500 -0.126 0.000 3.267 368 R HA -0.128 4.212 4.340 -0.000 0.000 0.254 368 R C -0.675 175.567 176.300 -0.096 0.000 0.993 368 R CA 0.555 56.592 56.100 -0.106 0.000 0.670 368 R CB -1.812 28.446 30.300 -0.069 0.000 1.125 368 R HN 0.578 nan 8.270 nan 0.000 0.434 369 K N 0.925 121.255 120.400 -0.116 0.000 3.253 369 K HA 0.120 4.440 4.320 -0.000 0.000 0.174 369 K C -0.854 175.691 176.600 -0.093 0.000 1.071 369 K CA -0.701 55.527 56.287 -0.098 0.000 0.836 369 K CB 0.879 33.312 32.500 -0.112 0.000 0.922 369 K HN 0.077 nan 8.250 nan 0.000 0.565 370 D N 1.417 121.761 120.400 -0.094 0.000 2.443 370 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 370 D C 0.105 176.360 176.300 -0.076 0.000 1.136 370 D CA 0.442 54.389 54.000 -0.089 0.000 0.879 370 D CB 0.889 41.643 40.800 -0.076 0.000 1.195 370 D HN 0.254 nan 8.370 nan 0.000 0.443 371 I N 2.494 123.007 120.570 -0.095 0.000 2.328 371 I HA 0.126 4.296 4.170 -0.000 0.000 0.287 371 I C 0.532 176.593 176.117 -0.093 0.000 1.012 371 I CA -0.659 60.574 61.300 -0.112 0.000 1.195 371 I CB 0.797 38.654 38.000 -0.239 0.000 1.350 371 I HN -0.081 nan 8.210 nan 0.000 0.464 372 K N 5.800 126.167 120.400 -0.055 0.000 2.339 372 K HA 0.527 4.847 4.320 -0.000 0.000 0.286 372 K C -0.735 175.825 176.600 -0.067 0.000 1.050 372 K CA -0.240 56.017 56.287 -0.051 0.000 0.956 372 K CB 1.826 34.305 32.500 -0.035 0.000 0.990 372 K HN 0.379 nan 8.250 nan 0.000 0.475 373 V N 2.252 122.121 119.914 -0.076 0.000 3.000 373 V HA 0.115 4.235 4.120 -0.000 0.000 0.300 373 V C -1.783 174.278 176.094 -0.056 0.000 1.251 373 V CA -0.917 61.314 62.300 -0.114 0.000 0.972 373 V CB 2.280 34.022 31.823 -0.136 0.000 1.065 373 V HN 0.797 nan 8.190 nan 0.000 0.431 374 D N 4.771 125.148 120.400 -0.038 0.000 2.339 374 D HA 0.377 5.017 4.640 -0.000 0.000 0.256 374 D C 0.244 176.568 176.300 0.040 0.000 1.214 374 D CA 0.568 54.574 54.000 0.010 0.000 0.877 374 D CB 0.356 41.173 40.800 0.027 0.000 1.111 374 D HN 0.666 nan 8.370 nan 0.000 0.478 375 K N 1.948 122.372 120.400 0.039 0.000 3.244 375 K HA -0.122 4.198 4.320 -0.000 0.000 0.270 375 K C -2.374 174.258 176.600 0.054 0.000 1.016 375 K CA 0.183 56.510 56.287 0.067 0.000 0.754 375 K CB -1.181 31.392 32.500 0.121 0.000 1.326 375 K HN 0.494 nan 8.250 nan 0.000 0.465 376 P HA 0.015 nan 4.420 nan 0.000 0.276 376 P C 0.455 177.754 177.300 -0.002 0.000 1.235 376 P CA 0.054 63.153 63.100 -0.002 0.000 0.772 376 P CB 1.360 33.046 31.700 -0.022 0.000 0.871 377 V N 0.314 120.194 119.914 -0.056 0.000 3.382 377 V HA 0.343 4.463 4.120 -0.000 0.000 0.296 377 V C 0.178 176.242 176.094 -0.049 0.000 1.529 377 V CA -0.250 62.033 62.300 -0.028 0.000 1.048 377 V CB -0.097 31.662 31.823 -0.107 0.000 0.878 377 V HN 0.643 nan 8.190 nan 0.000 0.442 378 C N 1.064 120.285 119.300 -0.132 0.000 2.931 378 C HA 0.764 5.224 4.460 -0.000 0.000 0.370 378 C C -1.224 173.600 174.990 -0.277 0.000 1.071 378 C CA -0.406 58.463 59.018 -0.248 0.000 1.266 378 C CB 0.918 28.414 27.740 -0.405 0.000 1.691 378 C HN 0.514 nan 8.230 nan 0.000 0.511 379 I N 6.300 126.672 120.570 -0.331 0.000 2.499 379 I HA 0.552 4.722 4.170 -0.000 0.000 0.288 379 I C -0.626 175.190 176.117 -0.503 0.000 1.048 379 I CA -0.443 60.615 61.300 -0.405 0.000 1.062 379 I CB 1.743 39.487 38.000 -0.426 0.000 1.238 379 I HN 0.473 nan 8.210 nan 0.000 0.426 380 K N 4.918 125.006 120.400 -0.520 0.000 2.482 380 K HA 0.644 4.964 4.320 -0.000 0.000 0.257 380 K C -1.377 174.917 176.600 -0.510 0.000 0.969 380 K CA -0.773 55.235 56.287 -0.464 0.000 0.842 380 K CB 2.717 35.038 32.500 -0.297 0.000 1.359 380 K HN 0.217 nan 8.250 nan 0.000 0.441 381 F N 0.116 120.008 119.950 -0.096 0.000 2.522 381 F HA 0.454 4.981 4.527 -0.000 0.000 0.324 381 F C 0.536 176.310 175.800 -0.043 0.000 1.077 381 F CA -0.895 57.071 58.000 -0.057 0.000 0.944 381 F CB 1.429 40.410 39.000 -0.032 0.000 1.175 381 F HN 0.052 nan 8.300 nan 0.000 0.468 382 V N 0.000 120.029 119.914 0.192 0.000 2.409 382 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 382 V CA 0.000 62.360 62.300 0.101 0.000 1.235 382 V CB 0.000 31.870 31.823 0.078 0.000 1.184 382 V HN 0.000 nan 8.190 nan 0.000 0.556